smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1C(=O)N(CC)[C@H]2N[NH+]=C(N)S[C@H]21 ZINC000002482102 342721388 /nfs/dbraw/zinc/72/13/88/342721388.db2.gz RHKDEQSWIZYDKN-PHDIDXHHSA-N 1 1 229.309 -0.018 10 0 BBAEMO CCN1C(=O)N(CC)[C@H]2SC(N)=[NH+]N[C@H]21 ZINC000002482103 342721338 /nfs/dbraw/zinc/72/13/38/342721338.db2.gz RHKDEQSWIZYDKN-WDSKDSINSA-N 1 1 229.309 -0.018 10 0 BBAEMO CCN1C(=O)N(CC)[C@@H]2SC(N)=[NH+]N[C@H]21 ZINC000002482105 342721364 /nfs/dbraw/zinc/72/13/64/342721364.db2.gz RHKDEQSWIZYDKN-NTSWFWBYSA-N 1 1 229.309 -0.018 10 0 BBAEMO CCCCOC(=O)[C@@H]([NH3+])CCC(N)=O ZINC000002573776 346511887 /nfs/dbraw/zinc/51/18/87/346511887.db2.gz HVKWQKRQGKCDSG-ZETCQYMHSA-N 1 1 202.254 -0.078 10 0 BBAEMO C[NH+]1CCN(NC(=O)c2ccncc2)CC1 ZINC000003062234 173092438 /nfs/dbraw/zinc/09/24/38/173092438.db2.gz BNPUJFWNMZJYMA-UHFFFAOYSA-N 1 1 220.276 -0.026 10 0 BBAEMO CNc1nc(NC)[nH+]c(N2CCOCC2)n1 ZINC000003632745 132308830 /nfs/dbraw/zinc/30/88/30/132308830.db2.gz RNJNDYSDCDTDFN-UHFFFAOYSA-N 1 1 224.268 -0.208 10 0 BBAEMO CC[NH+](CC)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000004226046 342744964 /nfs/dbraw/zinc/74/49/64/342744964.db2.gz QAOGCKMYQLALKG-SFYZADRCSA-N 1 1 207.295 -0.514 10 0 BBAEMO CC[NH+](CC)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000004226047 388394988 /nfs/dbraw/zinc/39/49/88/388394988.db2.gz QAOGCKMYQLALKG-YUMQZZPRSA-N 1 1 207.295 -0.514 10 0 BBAEMO CC[NH+](CC)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000004226048 372175664 /nfs/dbraw/zinc/17/56/64/372175664.db2.gz QAOGCKMYQLALKG-HTQZYQBOSA-N 1 1 207.295 -0.514 10 0 BBAEMO CC[NH+](CC)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000004226049 388394897 /nfs/dbraw/zinc/39/48/97/388394897.db2.gz QAOGCKMYQLALKG-JGVFFNPUSA-N 1 1 207.295 -0.514 10 0 BBAEMO CCN1C(=O)N(CC)[C@H]2SC(N)=[NH+]N[C@@H]21 ZINC000004305228 342746452 /nfs/dbraw/zinc/74/64/52/342746452.db2.gz RHKDEQSWIZYDKN-RITPCOANSA-N 1 1 229.309 -0.018 10 0 BBAEMO NC(=O)[C@H]1CCc2[nH+]c(N)nc(N)c2C1 ZINC000004430275 181283500 /nfs/dbraw/zinc/28/35/00/181283500.db2.gz POBOSEFRUUFDCN-BYPYZUCNSA-N 1 1 207.237 -0.769 10 0 BBAEMO NC(=O)[C@@H]1CCc2[nH+]c(N)nc(N)c2C1 ZINC000005423645 181272174 /nfs/dbraw/zinc/27/21/74/181272174.db2.gz POBOSEFRUUFDCN-SCSAIBSYSA-N 1 1 207.237 -0.769 10 0 BBAEMO [NH3+]CCNc1[nH]c(=O)[nH]c(=O)c1Cl ZINC000005828735 181396959 /nfs/dbraw/zinc/39/69/59/181396959.db2.gz UBIZYYDQUSJYIT-UHFFFAOYSA-N 1 1 204.617 -0.913 10 0 BBAEMO CNC(=O)C[NH2+]CC(=O)Nc1ccccc1 ZINC000007662909 541304597 /nfs/dbraw/zinc/30/45/97/541304597.db2.gz HBCHHVQHGOEOBK-UHFFFAOYSA-N 1 1 221.260 -0.039 10 0 BBAEMO C[NH2+]C[C@@H]1CNc2nc(N)[nH]c(=O)c2N1 ZINC000013474449 173371498 /nfs/dbraw/zinc/37/14/98/173371498.db2.gz LHIQNSIRCHEIBK-SCSAIBSYSA-N 1 1 210.241 -0.810 10 0 BBAEMO C[NH2+]C[C@H]1CNc2nc(N)[nH]c(=O)c2N1 ZINC000013474450 173382813 /nfs/dbraw/zinc/38/28/13/173382813.db2.gz LHIQNSIRCHEIBK-BYPYZUCNSA-N 1 1 210.241 -0.810 10 0 BBAEMO O[C@H]1[C@@H](O)C[NH2+][C@H]1CCNCc1ccccc1 ZINC000013859304 387596794 /nfs/dbraw/zinc/59/67/94/387596794.db2.gz ZNIOAVFONLBYAN-RWMBFGLXSA-N 1 1 236.315 -0.140 10 0 BBAEMO O[C@@H]1C[NH2+][C@H](CCNCc2ccccc2)[C@@H]1O ZINC000013859318 387596264 /nfs/dbraw/zinc/59/62/64/387596264.db2.gz ZNIOAVFONLBYAN-UPJWGTAASA-N 1 1 236.315 -0.140 10 0 BBAEMO NC(=O)C[NH+]1CCC2(CC1)OCCO2 ZINC000014193235 181230684 /nfs/dbraw/zinc/23/06/84/181230684.db2.gz IHXDSUWNBQDXHL-UHFFFAOYSA-N 1 1 200.238 -0.689 10 0 BBAEMO CCOC(=O)N1CC[NH+](CCC(N)=O)CC1 ZINC000016336215 170239616 /nfs/dbraw/zinc/23/96/16/170239616.db2.gz NTCYOHKDVIRZRP-UHFFFAOYSA-N 1 1 229.280 -0.364 10 0 BBAEMO CN1CCN(CN2CC[NH+](C)CC2)CC1 ZINC000019321823 173081483 /nfs/dbraw/zinc/08/14/83/173081483.db2.gz ZMBGDHSFLFMTPQ-UHFFFAOYSA-N 1 1 212.341 -0.561 10 0 BBAEMO O=C(N[C@@H]1CN2CCC1CC2)[C@@H]1CCC[NH2+]1 ZINC000019412362 182314535 /nfs/dbraw/zinc/31/45/35/182314535.db2.gz LRSGQJUSOQRSIU-WDEREUQCSA-N 1 1 223.320 -0.051 10 0 BBAEMO O=C(N[C@H]1CN2CCC1CC2)[C@@H]1CCC[NH2+]1 ZINC000019412364 182343370 /nfs/dbraw/zinc/34/33/70/182343370.db2.gz LRSGQJUSOQRSIU-QWRGUYRKSA-N 1 1 223.320 -0.051 10 0 BBAEMO O=C(N[C@@H]1CN2CCC1CC2)[C@H]1CCC[NH2+]1 ZINC000019412366 182313917 /nfs/dbraw/zinc/31/39/17/182313917.db2.gz LRSGQJUSOQRSIU-GHMZBOCLSA-N 1 1 223.320 -0.051 10 0 BBAEMO O=C(N[C@H]1CN2CCC1CC2)[C@H]1CCC[NH2+]1 ZINC000019412368 182341657 /nfs/dbraw/zinc/34/16/57/182341657.db2.gz LRSGQJUSOQRSIU-MNOVXSKESA-N 1 1 223.320 -0.051 10 0 BBAEMO NC(=O)CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000019489215 181234261 /nfs/dbraw/zinc/23/42/61/181234261.db2.gz MANZZENIUFZRCY-SECBINFHSA-N 1 1 207.233 -0.712 10 0 BBAEMO NC(=O)CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000019489216 181234836 /nfs/dbraw/zinc/23/48/36/181234836.db2.gz MANZZENIUFZRCY-VIFPVBQESA-N 1 1 207.233 -0.712 10 0 BBAEMO NC(=O)[C@@H]1CCC[N@H+](CC(N)=S)C1 ZINC000019512752 181269901 /nfs/dbraw/zinc/26/99/01/181269901.db2.gz JVOSDTFRFMQTKM-ZCFIWIBFSA-N 1 1 201.295 -0.530 10 0 BBAEMO NC(=O)[C@H]1CCC[N@H+](CC(N)=S)C1 ZINC000019512754 181280498 /nfs/dbraw/zinc/28/04/98/181280498.db2.gz JVOSDTFRFMQTKM-LURJTMIESA-N 1 1 201.295 -0.530 10 0 BBAEMO NC(=O)[C@@H]1CCC[N@H+](CCC(N)=S)C1 ZINC000019517794 181269111 /nfs/dbraw/zinc/26/91/11/181269111.db2.gz ZGGSKBFFGMBGHI-SSDOTTSWSA-N 1 1 215.322 -0.140 10 0 BBAEMO NC(=O)[C@H]1CCC[N@H+](CCC(N)=S)C1 ZINC000019517795 181280496 /nfs/dbraw/zinc/28/04/96/181280496.db2.gz ZGGSKBFFGMBGHI-ZETCQYMHSA-N 1 1 215.322 -0.140 10 0 BBAEMO NC(=O)C1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000019802651 181216379 /nfs/dbraw/zinc/21/63/79/181216379.db2.gz UGEJXJAWWBTKBM-QMMMGPOBSA-N 1 1 243.332 -0.627 10 0 BBAEMO NC(=O)C1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000019802653 181216794 /nfs/dbraw/zinc/21/67/94/181216794.db2.gz UGEJXJAWWBTKBM-MRVPVSSYSA-N 1 1 243.332 -0.627 10 0 BBAEMO CCNC(=O)C[N@@H+](C)CCC(N)=S ZINC000019834855 170053710 /nfs/dbraw/zinc/05/37/10/170053710.db2.gz QKKQZBOMYUKETO-UHFFFAOYSA-N 1 1 203.311 -0.270 10 0 BBAEMO CC(C)NC(=O)C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000020038444 167059098 /nfs/dbraw/zinc/05/90/98/167059098.db2.gz OOFSMHPDRAFNIM-MRVPVSSYSA-N 1 1 234.321 -0.712 10 0 BBAEMO CC(C)NC(=O)C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000020038448 167061477 /nfs/dbraw/zinc/06/14/77/167061477.db2.gz OOFSMHPDRAFNIM-QMMMGPOBSA-N 1 1 234.321 -0.712 10 0 BBAEMO CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000020038456 171326090 /nfs/dbraw/zinc/32/60/90/171326090.db2.gz ZEACQSCBMFENGB-DTWKUNHWSA-N 1 1 248.348 -0.322 10 0 BBAEMO CC[C@H](C)NC(=O)C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000020038461 171326446 /nfs/dbraw/zinc/32/64/46/171326446.db2.gz ZEACQSCBMFENGB-IUCAKERBSA-N 1 1 248.348 -0.322 10 0 BBAEMO CC(C)CNC(=O)C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000020038470 166985694 /nfs/dbraw/zinc/98/56/94/166985694.db2.gz MGDCGSKUDCRKDF-VIFPVBQESA-N 1 1 248.348 -0.465 10 0 BBAEMO CCCNC(=O)C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000020038605 169228531 /nfs/dbraw/zinc/22/85/31/169228531.db2.gz QSZMAJIIRJBFRL-MRVPVSSYSA-N 1 1 234.321 -0.711 10 0 BBAEMO CCCNC(=O)C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000020038608 169228929 /nfs/dbraw/zinc/22/89/29/169228929.db2.gz QSZMAJIIRJBFRL-QMMMGPOBSA-N 1 1 234.321 -0.711 10 0 BBAEMO CC(C)N(C)C(=O)C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000020038776 188282065 /nfs/dbraw/zinc/28/20/65/188282065.db2.gz OWZMZKRCIFVKHW-VIFPVBQESA-N 1 1 248.348 -0.370 10 0 BBAEMO CC(C)N(CC[NH2+]CC(=O)NC(N)=O)C(C)C ZINC000020039362 188282233 /nfs/dbraw/zinc/28/22/33/188282233.db2.gz IDRHBRIVSOUALF-UHFFFAOYSA-N 1 1 244.339 -0.110 10 0 BBAEMO COc1ccccc1C[NH2+]CC(=O)NC(N)=O ZINC000020040875 175329272 /nfs/dbraw/zinc/32/92/72/175329272.db2.gz BJXSESFONVLDOE-UHFFFAOYSA-N 1 1 237.259 -0.020 10 0 BBAEMO NC(=O)NC(=O)C[NH2+]Cc1ccccn1 ZINC000020053987 181254794 /nfs/dbraw/zinc/25/47/94/181254794.db2.gz QWZCTPJLEOWDMO-UHFFFAOYSA-N 1 1 208.221 -0.634 10 0 BBAEMO NC(=O)C[NH2+]Cc1cn2ccccc2n1 ZINC000020056846 181235930 /nfs/dbraw/zinc/23/59/30/181235930.db2.gz MICIJAVLWXDBJD-UHFFFAOYSA-N 1 1 204.233 -0.091 10 0 BBAEMO NC(=O)C[NH2+]CC(=O)Nc1ccccc1 ZINC000020056864 181235610 /nfs/dbraw/zinc/23/56/10/181235610.db2.gz BYXITTZMAZAENN-UHFFFAOYSA-N 1 1 207.233 -0.300 10 0 BBAEMO COc1ccc(NC(=O)C[NH2+]CC(N)=O)cc1 ZINC000020056866 175142707 /nfs/dbraw/zinc/14/27/07/175142707.db2.gz CJQPQLWTHYTRLW-UHFFFAOYSA-N 1 1 237.259 -0.291 10 0 BBAEMO NC(=O)C[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000020056867 181235052 /nfs/dbraw/zinc/23/50/52/181235052.db2.gz CSFQSUWAPLHZNX-UHFFFAOYSA-N 1 1 225.223 -0.161 10 0 BBAEMO COc1cccc(NC(=O)C[NH2+]CC(N)=O)c1 ZINC000020056869 175276334 /nfs/dbraw/zinc/27/63/34/175276334.db2.gz CFLRCVQSBXFOGR-UHFFFAOYSA-N 1 1 237.259 -0.291 10 0 BBAEMO NC(=O)C[NH2+]CC(=O)Nc1ccccc1F ZINC000020056873 181235308 /nfs/dbraw/zinc/23/53/08/181235308.db2.gz CQQZVTNTOOYBLV-UHFFFAOYSA-N 1 1 225.223 -0.161 10 0 BBAEMO NC(=O)C[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000020056875 181235429 /nfs/dbraw/zinc/23/54/29/181235429.db2.gz CBTWTYDOKMWHAZ-UHFFFAOYSA-N 1 1 225.223 -0.161 10 0 BBAEMO NC(=O)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000020056901 181235579 /nfs/dbraw/zinc/23/55/79/181235579.db2.gz PWQNAGYYZSAJQR-UHFFFAOYSA-N 1 1 207.233 -0.640 10 0 BBAEMO NC(=O)C[NH2+]Cc1ccc(C(N)=O)cc1F ZINC000020056903 181235011 /nfs/dbraw/zinc/23/50/11/181235011.db2.gz SNUUBNSRSZFCHF-UHFFFAOYSA-N 1 1 225.223 -0.501 10 0 BBAEMO NC(=O)C[NH2+]CC(=O)N1CCCCCC1 ZINC000020056922 181235206 /nfs/dbraw/zinc/23/52/06/181235206.db2.gz PKFOVYHYOVORCI-UHFFFAOYSA-N 1 1 213.281 -0.536 10 0 BBAEMO NC(=O)C[NH2+]CC(=O)NC1CCCCC1 ZINC000020056923 181235650 /nfs/dbraw/zinc/23/56/50/181235650.db2.gz MNYGLYYOTOZKOQ-UHFFFAOYSA-N 1 1 213.281 -0.490 10 0 BBAEMO Cn1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)cn1 ZINC000020074944 188005280 /nfs/dbraw/zinc/00/52/80/188005280.db2.gz VWWPUMMPPJFLNY-VIFPVBQESA-N 1 1 229.305 -0.303 10 0 BBAEMO Cn1cc([C@H](C[NH3+])N2CCN(C)CC2)cn1 ZINC000020075256 173092825 /nfs/dbraw/zinc/09/28/25/173092825.db2.gz PLXGDWUCTRQZGO-NSHDSACASA-N 1 1 223.324 -0.333 10 0 BBAEMO Cn1cc([C@@H](C[NH3+])N2CCN(C)CC2)cn1 ZINC000020075258 173094249 /nfs/dbraw/zinc/09/42/49/173094249.db2.gz PLXGDWUCTRQZGO-LLVKDONJSA-N 1 1 223.324 -0.333 10 0 BBAEMO C[N@H+]1CCCN(C(=O)N2CCNCC2)CC1 ZINC000020217563 173011350 /nfs/dbraw/zinc/01/13/50/173011350.db2.gz IOXCAQMLGOOOFI-UHFFFAOYSA-N 1 1 226.324 -0.351 10 0 BBAEMO C[N@@H+]1CCCN(C(=O)N2CCNCC2)CC1 ZINC000020217563 173011347 /nfs/dbraw/zinc/01/13/47/173011347.db2.gz IOXCAQMLGOOOFI-UHFFFAOYSA-N 1 1 226.324 -0.351 10 0 BBAEMO C[N@H+]1CCCN(CC(=O)N2CCNCC2)CC1 ZINC000020217602 173013323 /nfs/dbraw/zinc/01/33/23/173013323.db2.gz UPTIBBGJZPRTSI-UHFFFAOYSA-N 1 1 240.351 -0.944 10 0 BBAEMO C[N@@H+]1CCCN(CC(=O)N2CCNCC2)CC1 ZINC000020217602 173013322 /nfs/dbraw/zinc/01/33/22/173013322.db2.gz UPTIBBGJZPRTSI-UHFFFAOYSA-N 1 1 240.351 -0.944 10 0 BBAEMO CC(C)(C[NH3+])N1CCN(CCO)CC1 ZINC000020226811 188005256 /nfs/dbraw/zinc/00/52/56/188005256.db2.gz PSZLHMYNTIIKKN-UHFFFAOYSA-N 1 1 201.314 -0.666 10 0 BBAEMO CN(C)S(=O)(=O)N1CCCC[C@H]1[NH3+] ZINC000020258022 172512547 /nfs/dbraw/zinc/51/25/47/172512547.db2.gz VGOCSWYZVBWQBK-ZETCQYMHSA-N 1 1 207.299 -0.437 10 0 BBAEMO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000020304393 167081245 /nfs/dbraw/zinc/08/12/45/167081245.db2.gz BTQQOMWJXFMKMR-RKDXNWHRSA-N 1 1 248.348 -0.324 10 0 BBAEMO CC(C)NC(=O)[C@@H](C)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000020304396 167081644 /nfs/dbraw/zinc/08/16/44/167081644.db2.gz BTQQOMWJXFMKMR-BDAKNGLRSA-N 1 1 248.348 -0.324 10 0 BBAEMO C[C@H]([NH2+][C@H]1CCS(=O)(=O)C1)C(=O)NC1CC1 ZINC000020307360 176926301 /nfs/dbraw/zinc/92/63/01/176926301.db2.gz WFGZBIPAGQKWBS-CBAPKCEASA-N 1 1 246.332 -0.570 10 0 BBAEMO CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000020307387 170089231 /nfs/dbraw/zinc/08/92/31/170089231.db2.gz CJXJYFGGVRVHAO-HTQZYQBOSA-N 1 1 234.321 -0.712 10 0 BBAEMO CCNC(=O)[C@H](C)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000020307389 170095666 /nfs/dbraw/zinc/09/56/66/170095666.db2.gz CJXJYFGGVRVHAO-JGVFFNPUSA-N 1 1 234.321 -0.712 10 0 BBAEMO CCNC(=O)[C@@H](C)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000020307391 170089427 /nfs/dbraw/zinc/08/94/27/170089427.db2.gz 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ABTIMJMCRWXQRX-GHMZBOCLSA-N 1 1 213.325 -0.402 10 0 BBAEMO CN1CCN([C@@H](C[NH3+])[C@H]2CCOC2)CC1 ZINC000022210784 173093567 /nfs/dbraw/zinc/09/35/67/173093567.db2.gz ABTIMJMCRWXQRX-QWRGUYRKSA-N 1 1 213.325 -0.402 10 0 BBAEMO CN1CCN([C@H](C[NH3+])[C@H]2CCOC2)CC1 ZINC000022210786 173094636 /nfs/dbraw/zinc/09/46/36/173094636.db2.gz ABTIMJMCRWXQRX-WDEREUQCSA-N 1 1 213.325 -0.402 10 0 BBAEMO NC(=O)C[NH2+][C@@H]1COc2cc(O)ccc21 ZINC000022212796 181236394 /nfs/dbraw/zinc/23/63/94/181236394.db2.gz DTLFZAIEMYYGHC-MRVPVSSYSA-N 1 1 208.217 -0.099 10 0 BBAEMO NC(=O)C[NH2+][C@H]1COc2cc(O)ccc21 ZINC000022212799 181236664 /nfs/dbraw/zinc/23/66/64/181236664.db2.gz DTLFZAIEMYYGHC-QMMMGPOBSA-N 1 1 208.217 -0.099 10 0 BBAEMO Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1CCN(C)CC1 ZINC000022793167 342807780 /nfs/dbraw/zinc/80/77/80/342807780.db2.gz XFFOFZRSNQUBJJ-UHFFFAOYSA-N 1 1 238.291 -0.881 10 0 BBAEMO C[C@@H](O)[C@H](C)[NH2+]CCN[C@@H](C)[C@H](C)O ZINC000022873723 177012093 /nfs/dbraw/zinc/01/20/93/177012093.db2.gz 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C[C@@H]1C[C@@H](C)CN(C(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000037481786 176360827 /nfs/dbraw/zinc/36/08/27/176360827.db2.gz UXDXNSBHHDERHW-IWSPIJDZSA-N 1 1 227.308 -0.306 10 0 BBAEMO CC1CCC(NC(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000037481824 168161771 /nfs/dbraw/zinc/16/17/71/168161771.db2.gz MEOXJPLSCHYJDJ-AMDVSUOASA-N 1 1 227.308 -0.116 10 0 BBAEMO CC1CCC(NC(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000037481825 168161544 /nfs/dbraw/zinc/16/15/44/168161544.db2.gz MEOXJPLSCHYJDJ-HACHORDNSA-N 1 1 227.308 -0.116 10 0 BBAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCCCCCC1 ZINC000037481876 181241703 /nfs/dbraw/zinc/24/17/03/181241703.db2.gz CEPOABCIXPSEEC-SECBINFHSA-N 1 1 227.308 -0.018 10 0 BBAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCCCCCC1 ZINC000037481877 181243921 /nfs/dbraw/zinc/24/39/21/181243921.db2.gz CEPOABCIXPSEEC-VIFPVBQESA-N 1 1 227.308 -0.018 10 0 BBAEMO NC(=O)C[C@@H]([NH3+])C(=O)NCc1cccs1 ZINC000037481926 181241767 /nfs/dbraw/zinc/24/17/67/181241767.db2.gz QNSZUGMKGUVELU-SSDOTTSWSA-N 1 1 227.289 -0.433 10 0 BBAEMO NC(=O)C[C@H]([NH3+])C(=O)NCc1cccs1 ZINC000037481927 181244524 /nfs/dbraw/zinc/24/45/24/181244524.db2.gz QNSZUGMKGUVELU-ZETCQYMHSA-N 1 1 227.289 -0.433 10 0 BBAEMO CC[C@@H]1CCCCN1C(=O)[C@H]([NH3+])CC(N)=O ZINC000037481949 170961826 /nfs/dbraw/zinc/96/18/26/170961826.db2.gz KGFBNCCEYDCRBM-RKDXNWHRSA-N 1 1 227.308 -0.020 10 0 BBAEMO CN(C(=O)[C@H]([NH3+])CC(N)=O)[C@@H]1CCSC1 ZINC000037482005 172331951 /nfs/dbraw/zinc/33/19/51/172331951.db2.gz SPTGGALXHGVJIT-RNFRBKRXSA-N 1 1 231.321 -0.847 10 0 BBAEMO CN(C(=O)[C@H]([NH3+])CC(N)=O)[C@H]1CCSC1 ZINC000037482006 172331829 /nfs/dbraw/zinc/33/18/29/172331829.db2.gz SPTGGALXHGVJIT-NKWVEPMBSA-N 1 1 231.321 -0.847 10 0 BBAEMO CN(C(=O)[C@@H]([NH3+])CC(N)=O)[C@@H]1CCSC1 ZINC000037482007 172325032 /nfs/dbraw/zinc/32/50/32/172325032.db2.gz SPTGGALXHGVJIT-RQJHMYQMSA-N 1 1 231.321 -0.847 10 0 BBAEMO CN(C(=O)[C@@H]([NH3+])CC(N)=O)[C@H]1CCSC1 ZINC000037482008 172325777 /nfs/dbraw/zinc/32/57/77/172325777.db2.gz SPTGGALXHGVJIT-BQBZGAKWSA-N 1 1 231.321 -0.847 10 0 BBAEMO NC(=O)C[C@@H]([NH3+])C(=O)NCC1CCCC1 ZINC000037482027 181241595 /nfs/dbraw/zinc/24/15/95/181241595.db2.gz QGEGUFAASJHNHQ-MRVPVSSYSA-N 1 1 213.281 -0.505 10 0 BBAEMO NC(=O)C[C@H]([NH3+])C(=O)NCC1CCCC1 ZINC000037482028 181244325 /nfs/dbraw/zinc/24/43/25/181244325.db2.gz QGEGUFAASJHNHQ-QMMMGPOBSA-N 1 1 213.281 -0.505 10 0 BBAEMO NC(=O)C[C@@H]([NH3+])C(=O)NCC1CCCCC1 ZINC000037482032 181241662 /nfs/dbraw/zinc/24/16/62/181241662.db2.gz ACWMPNTYVNLLQE-SECBINFHSA-N 1 1 227.308 -0.114 10 0 BBAEMO NC(=O)C[C@H]([NH3+])C(=O)NCC1CCCCC1 ZINC000037482033 181243951 /nfs/dbraw/zinc/24/39/51/181243951.db2.gz ACWMPNTYVNLLQE-VIFPVBQESA-N 1 1 227.308 -0.114 10 0 BBAEMO CN(Cc1cccs1)C(=O)[C@H]([NH3+])CC(N)=O ZINC000037482108 172893690 /nfs/dbraw/zinc/89/36/90/172893690.db2.gz FBSOFOXNYLTEIN-MRVPVSSYSA-N 1 1 241.316 -0.091 10 0 BBAEMO CN(Cc1cccs1)C(=O)[C@@H]([NH3+])CC(N)=O ZINC000037482109 711730399 /nfs/dbraw/zinc/73/03/99/711730399.db2.gz FBSOFOXNYLTEIN-QMMMGPOBSA-N 1 1 241.316 -0.091 10 0 BBAEMO CN(Cc1ccsc1)C(=O)[C@H]([NH3+])CC(N)=O ZINC000037482111 398022616 /nfs/dbraw/zinc/02/26/16/398022616.db2.gz AJWZCAXRSNUOQM-MRVPVSSYSA-N 1 1 241.316 -0.091 10 0 BBAEMO CN(Cc1ccsc1)C(=O)[C@@H]([NH3+])CC(N)=O ZINC000037482112 398328391 /nfs/dbraw/zinc/32/83/91/398328391.db2.gz AJWZCAXRSNUOQM-QMMMGPOBSA-N 1 1 241.316 -0.091 10 0 BBAEMO [NH3+]C1CCC(C(=O)N2CCNCC2)CC1 ZINC000037482116 181340040 /nfs/dbraw/zinc/34/00/40/181340040.db2.gz CWUOUOOFTBACIX-UHFFFAOYSA-N 1 1 211.309 -0.064 10 0 BBAEMO C[C@@H](C1CC1)N(C)C(=O)[C@H]([NH3+])CC(N)=O ZINC000037482223 398328411 /nfs/dbraw/zinc/32/84/11/398328411.db2.gz ZOCSXOLAVRZZOF-POYBYMJQSA-N 1 1 213.281 -0.554 10 0 BBAEMO C[C@H](C1CC1)N(C)C(=O)[C@H]([NH3+])CC(N)=O ZINC000037482224 398328462 /nfs/dbraw/zinc/32/84/62/398328462.db2.gz ZOCSXOLAVRZZOF-HTRCEHHLSA-N 1 1 213.281 -0.554 10 0 BBAEMO C[C@@H](C1CC1)N(C)C(=O)[C@@H]([NH3+])CC(N)=O ZINC000037482225 397961668 /nfs/dbraw/zinc/96/16/68/397961668.db2.gz ZOCSXOLAVRZZOF-XPUUQOCRSA-N 1 1 213.281 -0.554 10 0 BBAEMO C[C@H](C1CC1)N(C)C(=O)[C@@H]([NH3+])CC(N)=O ZINC000037482226 398328458 /nfs/dbraw/zinc/32/84/58/398328458.db2.gz ZOCSXOLAVRZZOF-SVRRBLITSA-N 1 1 213.281 -0.554 10 0 BBAEMO CC[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000037482290 170973118 /nfs/dbraw/zinc/97/31/18/170973118.db2.gz SWCSOALYGCTBPC-RKDXNWHRSA-N 1 1 227.308 -0.162 10 0 BBAEMO CC[C@H]1CCCN(C(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000037482291 711730378 /nfs/dbraw/zinc/73/03/78/711730378.db2.gz SWCSOALYGCTBPC-DTWKUNHWSA-N 1 1 227.308 -0.162 10 0 BBAEMO CC[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000037482292 712648285 /nfs/dbraw/zinc/64/82/85/712648285.db2.gz SWCSOALYGCTBPC-BDAKNGLRSA-N 1 1 227.308 -0.162 10 0 BBAEMO CC[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000037482293 712648381 /nfs/dbraw/zinc/64/83/81/712648381.db2.gz SWCSOALYGCTBPC-IUCAKERBSA-N 1 1 227.308 -0.162 10 0 BBAEMO CCCN(CC1CC1)C(=O)[C@H]([NH3+])CC(N)=O ZINC000037482295 169136840 /nfs/dbraw/zinc/13/68/40/169136840.db2.gz QCFROSPSMKIRKB-SECBINFHSA-N 1 1 227.308 -0.162 10 0 BBAEMO CCCN(CC1CC1)C(=O)[C@@H]([NH3+])CC(N)=O ZINC000037482296 169135694 /nfs/dbraw/zinc/13/56/94/169135694.db2.gz QCFROSPSMKIRKB-VIFPVBQESA-N 1 1 227.308 -0.162 10 0 BBAEMO CCCCCCNC(=O)[C@H]([NH3+])CC(N)=O ZINC000037482298 711467188 /nfs/dbraw/zinc/46/71/88/711467188.db2.gz CNXBFFHDWRZRKV-MRVPVSSYSA-N 1 1 215.297 -0.114 10 0 BBAEMO CCCCCCNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000037482299 712648214 /nfs/dbraw/zinc/64/82/14/712648214.db2.gz CNXBFFHDWRZRKV-QMMMGPOBSA-N 1 1 215.297 -0.114 10 0 BBAEMO NC(=O)C[C@@H]([NH3+])C(=O)Nc1cccnc1Cl ZINC000037482339 181241588 /nfs/dbraw/zinc/24/15/88/181241588.db2.gz ODXPZMOABKQCSG-RXMQYKEDSA-N 1 1 242.666 -0.124 10 0 BBAEMO NC(=O)C[C@H]([NH3+])C(=O)Nc1cccnc1Cl ZINC000037482340 181245156 /nfs/dbraw/zinc/24/51/56/181245156.db2.gz ODXPZMOABKQCSG-YFKPBYRVSA-N 1 1 242.666 -0.124 10 0 BBAEMO NC(=O)C[C@@H]([NH3+])C(=O)Nc1ccc(O)cc1 ZINC000037482349 181241974 /nfs/dbraw/zinc/24/19/74/181241974.db2.gz ADSURQYIOFQADB-MRVPVSSYSA-N 1 1 223.232 -0.467 10 0 BBAEMO NC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(O)cc1 ZINC000037482350 181244683 /nfs/dbraw/zinc/24/46/83/181244683.db2.gz ADSURQYIOFQADB-QMMMGPOBSA-N 1 1 223.232 -0.467 10 0 BBAEMO CN1C(=O)C[C@@H](NC[C@H]2CC[N@@H+](C)C2)C1=O ZINC000037484960 173147409 /nfs/dbraw/zinc/14/74/09/173147409.db2.gz HFFSOJXUZRNDNI-RKDXNWHRSA-N 1 1 225.292 -0.715 10 0 BBAEMO CN1C(=O)C[C@@H](NC[C@@H]2CC[N@@H+](C)C2)C1=O ZINC000037484961 173117631 /nfs/dbraw/zinc/11/76/31/173117631.db2.gz HFFSOJXUZRNDNI-DTWKUNHWSA-N 1 1 225.292 -0.715 10 0 BBAEMO C[N@H+]1CC[C@H](Cn2c(N)cc(=O)[nH]c2=O)C1 ZINC000037485160 173147201 /nfs/dbraw/zinc/14/72/01/173147201.db2.gz CGYAWFIWBKRQFA-ZETCQYMHSA-N 1 1 224.264 -0.930 10 0 BBAEMO C[N@H+]1CC[C@@H](Cn2c(N)cc(=O)[nH]c2=O)C1 ZINC000037485161 173117768 /nfs/dbraw/zinc/11/77/68/173117768.db2.gz CGYAWFIWBKRQFA-SSDOTTSWSA-N 1 1 224.264 -0.930 10 0 BBAEMO C[N@H+]1CC[C@H](CNC(=O)c2c[nH]nc2N)C1 ZINC000037485169 173144479 /nfs/dbraw/zinc/14/44/79/173144479.db2.gz ZJDJPRAXTSDIBW-SSDOTTSWSA-N 1 1 223.280 -0.327 10 0 BBAEMO C[N@H+]1CC[C@@H](CNC(=O)c2c[nH]nc2N)C1 ZINC000037485170 173114454 /nfs/dbraw/zinc/11/44/54/173114454.db2.gz ZJDJPRAXTSDIBW-ZETCQYMHSA-N 1 1 223.280 -0.327 10 0 BBAEMO O=S1(=O)C[C@H](O)[C@@H]([NH2+]Cc2ccncc2)C1 ZINC000037487386 182915597 /nfs/dbraw/zinc/91/55/97/182915597.db2.gz QJPDHIZIXXNRSL-UWVGGRQHSA-N 1 1 242.300 -0.671 10 0 BBAEMO O=S1(=O)C[C@@H](O)[C@H]([NH2+]Cc2cccs2)C1 ZINC000037487540 711466883 /nfs/dbraw/zinc/46/68/83/711466883.db2.gz RWASINHOPQFNGE-RKDXNWHRSA-N 1 1 247.341 -0.004 10 0 BBAEMO COc1ccccc1NC(=O)[C@H]([NH3+])CC(N)=O ZINC000037622778 175336516 /nfs/dbraw/zinc/33/65/16/175336516.db2.gz RCCRTQNVUVRMSC-SSDOTTSWSA-N 1 1 237.259 -0.164 10 0 BBAEMO CN(Cc1ccccc1)C(=O)[C@H]([NH3+])CC(N)=O ZINC000037623056 711754145 /nfs/dbraw/zinc/75/41/45/711754145.db2.gz YXQKTCXBEUCJTH-SNVBAGLBSA-N 1 1 235.287 -0.152 10 0 BBAEMO CN(Cc1ccccc1)C(=O)[C@@H]([NH3+])CC(N)=O ZINC000037623057 712686927 /nfs/dbraw/zinc/68/69/27/712686927.db2.gz YXQKTCXBEUCJTH-JTQLQIEISA-N 1 1 235.287 -0.152 10 0 BBAEMO NC(=O)C[C@@H]([NH3+])C(=O)NCCc1ccccc1 ZINC000037623108 181241803 /nfs/dbraw/zinc/24/18/03/181241803.db2.gz MQMPBURRYLFVOV-SNVBAGLBSA-N 1 1 235.287 -0.452 10 0 BBAEMO NC(=O)C[C@H]([NH3+])C(=O)NCCc1ccccc1 ZINC000037623109 181244104 /nfs/dbraw/zinc/24/41/04/181244104.db2.gz MQMPBURRYLFVOV-JTQLQIEISA-N 1 1 235.287 -0.452 10 0 BBAEMO NC(=O)C[C@@H]([NH3+])C(=O)NCc1ccc(F)cc1 ZINC000037623146 181241174 /nfs/dbraw/zinc/24/11/74/181241174.db2.gz XFKGSFZOZDUVLQ-SECBINFHSA-N 1 1 239.250 -0.355 10 0 BBAEMO NC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(F)cc1 ZINC000037623147 181244285 /nfs/dbraw/zinc/24/42/85/181244285.db2.gz XFKGSFZOZDUVLQ-VIFPVBQESA-N 1 1 239.250 -0.355 10 0 BBAEMO NC(=O)C[C@@H]([NH3+])C(=O)NCc1ccccc1F ZINC000037623164 181241348 /nfs/dbraw/zinc/24/13/48/181241348.db2.gz ADPUQVADAFHARX-SECBINFHSA-N 1 1 239.250 -0.355 10 0 BBAEMO NC(=O)C[C@H]([NH3+])C(=O)NCc1ccccc1F ZINC000037623165 181245167 /nfs/dbraw/zinc/24/51/67/181245167.db2.gz ADPUQVADAFHARX-VIFPVBQESA-N 1 1 239.250 -0.355 10 0 BBAEMO COc1cccc(NC(=O)[C@H]([NH3+])CC(N)=O)c1 ZINC000037623230 175277411 /nfs/dbraw/zinc/27/74/11/175277411.db2.gz BCAQYGBHPMVROI-SECBINFHSA-N 1 1 237.259 -0.164 10 0 BBAEMO COc1cccc(NC(=O)[C@@H]([NH3+])CC(N)=O)c1 ZINC000037623231 175277298 /nfs/dbraw/zinc/27/72/98/175277298.db2.gz BCAQYGBHPMVROI-VIFPVBQESA-N 1 1 237.259 -0.164 10 0 BBAEMO NC(=O)C[C@@H]([NH3+])C(=O)NCc1cccc(F)c1 ZINC000037626043 181242072 /nfs/dbraw/zinc/24/20/72/181242072.db2.gz MBOIUZBCVDYWEP-SECBINFHSA-N 1 1 239.250 -0.355 10 0 BBAEMO NC(=O)C[C@H]([NH3+])C(=O)NCc1cccc(F)c1 ZINC000037626044 181244267 /nfs/dbraw/zinc/24/42/67/181244267.db2.gz MBOIUZBCVDYWEP-VIFPVBQESA-N 1 1 239.250 -0.355 10 0 BBAEMO CN(Cc1cccnc1)C(=O)[C@H]([NH3+])CC(N)=O ZINC000037626291 172883367 /nfs/dbraw/zinc/88/33/67/172883367.db2.gz ZLJCYFKDFJVJBI-SECBINFHSA-N 1 1 236.275 -0.757 10 0 BBAEMO NC(=O)C[C@@H]([NH3+])C(=O)Nc1ccc2c[nH]nc2c1 ZINC000037629670 181241711 /nfs/dbraw/zinc/24/17/11/181241711.db2.gz FRTWMUGCNIVBBW-MRVPVSSYSA-N 1 1 247.258 -0.296 10 0 BBAEMO NC(=O)C[C@H]([NH3+])C(=O)Nc1ccc2c[nH]nc2c1 ZINC000037629672 181244858 /nfs/dbraw/zinc/24/48/58/181244858.db2.gz FRTWMUGCNIVBBW-QMMMGPOBSA-N 1 1 247.258 -0.296 10 0 BBAEMO NC(=O)C[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)CCO2 ZINC000037630391 181242293 /nfs/dbraw/zinc/24/22/93/181242293.db2.gz CZHZZXNLLXVQGY-SECBINFHSA-N 1 1 249.270 -0.237 10 0 BBAEMO NC(=O)C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)CCO2 ZINC000037630393 181244651 /nfs/dbraw/zinc/24/46/51/181244651.db2.gz CZHZZXNLLXVQGY-VIFPVBQESA-N 1 1 249.270 -0.237 10 0 BBAEMO NC(=O)C[C@@H]([NH3+])C(=O)NC[C@H]1Cc2ccccc21 ZINC000037630744 181241412 /nfs/dbraw/zinc/24/14/12/181241412.db2.gz XJUGPOBXPXINBQ-MWLCHTKSSA-N 1 1 247.298 -0.355 10 0 BBAEMO NC(=O)C[C@@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc21 ZINC000037630747 181241690 /nfs/dbraw/zinc/24/16/90/181241690.db2.gz XJUGPOBXPXINBQ-GXSJLCMTSA-N 1 1 247.298 -0.355 10 0 BBAEMO NC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1Cc2ccccc21 ZINC000037630750 181244194 /nfs/dbraw/zinc/24/41/94/181244194.db2.gz XJUGPOBXPXINBQ-KOLCDFICSA-N 1 1 247.298 -0.355 10 0 BBAEMO NC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc21 ZINC000037630753 181244050 /nfs/dbraw/zinc/24/40/50/181244050.db2.gz XJUGPOBXPXINBQ-ONGXEEELSA-N 1 1 247.298 -0.355 10 0 BBAEMO CC[N@H+]1CC[C@H](CN[C@@H]2CC(=O)N(C)C2=O)C1 ZINC000037644729 170016199 /nfs/dbraw/zinc/01/61/99/170016199.db2.gz JBMKOOOBYIHUJM-NXEZZACHSA-N 1 1 239.319 -0.325 10 0 BBAEMO CC[N@H+]1CC[C@@H](CN[C@@H]2CC(=O)N(C)C2=O)C1 ZINC000037644730 170010052 /nfs/dbraw/zinc/01/00/52/170010052.db2.gz JBMKOOOBYIHUJM-VHSXEESVSA-N 1 1 239.319 -0.325 10 0 BBAEMO C[N@H+]1CC[C@H](CNCC(=O)N2CCOCC2)C1 ZINC000037647437 173147346 /nfs/dbraw/zinc/14/73/46/173147346.db2.gz QBRISAZDOQCXOQ-LLVKDONJSA-N 1 1 241.335 -0.614 10 0 BBAEMO C[N@H+]1CC[C@@H](CNCC(=O)N2CCOCC2)C1 ZINC000037647438 173115394 /nfs/dbraw/zinc/11/53/94/173115394.db2.gz QBRISAZDOQCXOQ-NSHDSACASA-N 1 1 241.335 -0.614 10 0 BBAEMO CN(C(=O)[C@H]([NH3+])CC(N)=O)C1CCCC1 ZINC000037655086 172331890 /nfs/dbraw/zinc/33/18/90/172331890.db2.gz ZFGRFCNILWPHFC-MRVPVSSYSA-N 1 1 213.281 -0.410 10 0 BBAEMO CN(C(=O)[C@@H]([NH3+])CC(N)=O)C1CCCC1 ZINC000037655087 172325666 /nfs/dbraw/zinc/32/56/66/172325666.db2.gz ZFGRFCNILWPHFC-QMMMGPOBSA-N 1 1 213.281 -0.410 10 0 BBAEMO C[C@@H]1CCC[C@H](NC(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000037655109 176142059 /nfs/dbraw/zinc/14/20/59/176142059.db2.gz SMPHXCGSIKKVQJ-HRDYMLBCSA-N 1 1 227.308 -0.116 10 0 BBAEMO C[C@@H]1CCC[C@@H](NC(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000037655111 176122986 /nfs/dbraw/zinc/12/29/86/176122986.db2.gz SMPHXCGSIKKVQJ-IWSPIJDZSA-N 1 1 227.308 -0.116 10 0 BBAEMO NC(=O)C[C@@H]([NH3+])C(=O)Nc1ccc2n[nH]cc2c1 ZINC000037655195 181242281 /nfs/dbraw/zinc/24/22/81/181242281.db2.gz KUUHJKVLQSUGAA-MRVPVSSYSA-N 1 1 247.258 -0.296 10 0 BBAEMO NC(=O)C[C@H]([NH3+])C(=O)Nc1ccc2n[nH]cc2c1 ZINC000037655196 181244655 /nfs/dbraw/zinc/24/46/55/181244655.db2.gz KUUHJKVLQSUGAA-QMMMGPOBSA-N 1 1 247.258 -0.296 10 0 BBAEMO CC(C)S(=O)(=O)NC1(C[NH3+])CCN(C)CC1 ZINC000037657168 167319761 /nfs/dbraw/zinc/31/97/61/167319761.db2.gz IFKOALHZINEAEQ-UHFFFAOYSA-N 1 1 249.380 -0.263 10 0 BBAEMO CC(C)(O)C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000037693684 343351370 /nfs/dbraw/zinc/35/13/70/343351370.db2.gz SUYASRYXJBRXPV-QMMMGPOBSA-N 1 1 200.282 -0.045 10 0 BBAEMO CC(C)[N@@H+](C)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000037693736 343351279 /nfs/dbraw/zinc/35/12/79/343351279.db2.gz FYJNQGXLOCHWDB-SFYZADRCSA-N 1 1 207.295 -0.516 10 0 BBAEMO CC(C)[N@H+](C)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000037693736 343351278 /nfs/dbraw/zinc/35/12/78/343351278.db2.gz FYJNQGXLOCHWDB-SFYZADRCSA-N 1 1 207.295 -0.516 10 0 BBAEMO CC[C@H](C)[N@@H+](C)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000037693913 388574728 /nfs/dbraw/zinc/57/47/28/388574728.db2.gz PTZDSWCTAUGRGR-YIZRAAEISA-N 1 1 221.322 -0.125 10 0 BBAEMO CC[C@H](C)[N@H+](C)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000037693913 388574726 /nfs/dbraw/zinc/57/47/26/388574726.db2.gz PTZDSWCTAUGRGR-YIZRAAEISA-N 1 1 221.322 -0.125 10 0 BBAEMO Cc1[nH+]ccn1[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000037694422 364527392 /nfs/dbraw/zinc/52/73/92/364527392.db2.gz NTOPVABQXZYLMO-SFYZADRCSA-N 1 1 216.262 -0.478 10 0 BBAEMO Cc1[nH+]ccn1[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000037694423 364527573 /nfs/dbraw/zinc/52/75/73/364527573.db2.gz NTOPVABQXZYLMO-YUMQZZPRSA-N 1 1 216.262 -0.478 10 0 BBAEMO Cc1[nH+]ccn1[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000037694424 343351766 /nfs/dbraw/zinc/35/17/66/343351766.db2.gz NTOPVABQXZYLMO-HTQZYQBOSA-N 1 1 216.262 -0.478 10 0 BBAEMO Cc1[nH+]ccn1[C@H]1CS(=O)(=O)C[C@H]1O ZINC000037694425 364527649 /nfs/dbraw/zinc/52/76/49/364527649.db2.gz NTOPVABQXZYLMO-JGVFFNPUSA-N 1 1 216.262 -0.478 10 0 BBAEMO [NH3+]CCCNC1CCS(=O)(=O)CC1 ZINC000037713621 181382282 /nfs/dbraw/zinc/38/22/82/181382282.db2.gz SKYUQRHQRXXTDG-UHFFFAOYSA-N 1 1 206.311 -0.498 10 0 BBAEMO O=C(NC[C@@H]1CCOC1)[C@H]1CSC[NH2+]1 ZINC000037739050 364565103 /nfs/dbraw/zinc/56/51/03/364565103.db2.gz IYLPZANRKZCCMI-JGVFFNPUSA-N 1 1 216.306 -0.198 10 0 BBAEMO O=C(NC[C@H]1CCOC1)[C@H]1CSC[NH2+]1 ZINC000037739051 182244329 /nfs/dbraw/zinc/24/43/29/182244329.db2.gz IYLPZANRKZCCMI-HTQZYQBOSA-N 1 1 216.306 -0.198 10 0 BBAEMO NC(=O)C[C@@H]([NH3+])C(=O)NCCC1CCCC1 ZINC000037740146 181242041 /nfs/dbraw/zinc/24/20/41/181242041.db2.gz UIGXOIAUUCNNPT-SECBINFHSA-N 1 1 227.308 -0.114 10 0 BBAEMO NC(=O)C[C@H]([NH3+])C(=O)NCCC1CCCC1 ZINC000037740147 181244009 /nfs/dbraw/zinc/24/40/09/181244009.db2.gz UIGXOIAUUCNNPT-VIFPVBQESA-N 1 1 227.308 -0.114 10 0 BBAEMO O=S(=O)(c1cn[nH]c1)N1CC[NH2+]CC1 ZINC000037744280 364573602 /nfs/dbraw/zinc/57/36/02/364573602.db2.gz JMFGONIDIOSAFJ-UHFFFAOYSA-N 1 1 216.266 -0.996 10 0 BBAEMO [NH3+][C@H]1CCCN1S(=O)(=O)c1cn[nH]c1 ZINC000037745074 364574255 /nfs/dbraw/zinc/57/42/55/364574255.db2.gz XCKVRGKNHRWQAO-SSDOTTSWSA-N 1 1 216.266 -0.521 10 0 BBAEMO [NH3+][C@@H]1CCCN1S(=O)(=O)c1cn[nH]c1 ZINC000037745075 364574079 /nfs/dbraw/zinc/57/40/79/364574079.db2.gz XCKVRGKNHRWQAO-ZETCQYMHSA-N 1 1 216.266 -0.521 10 0 BBAEMO Cn1nccc1C[NH2+]CCN1CCN(C)CC1 ZINC000037759905 173082598 /nfs/dbraw/zinc/08/25/98/173082598.db2.gz NYAZELFWHWZXSV-UHFFFAOYSA-N 1 1 237.351 -0.243 10 0 BBAEMO C[NH2+]CCCC(=O)NCCN1CCN(C)CC1 ZINC000037760074 173343719 /nfs/dbraw/zinc/34/37/19/173343719.db2.gz CUIUTFAMGOQMKE-UHFFFAOYSA-N 1 1 242.367 -0.650 10 0 BBAEMO NC(=O)C[C@@H]([NH3+])C(=O)Nc1cccc2n[nH]cc21 ZINC000037769607 181241300 /nfs/dbraw/zinc/24/13/00/181241300.db2.gz JCDIGKGWYBATSW-SSDOTTSWSA-N 1 1 247.258 -0.296 10 0 BBAEMO NC(=O)C[C@H]([NH3+])C(=O)Nc1cccc2n[nH]cc21 ZINC000037769608 181244627 /nfs/dbraw/zinc/24/46/27/181244627.db2.gz JCDIGKGWYBATSW-ZETCQYMHSA-N 1 1 247.258 -0.296 10 0 BBAEMO CC(C)CN(C(=O)[C@@H]([NH3+])CC(N)=O)C1CC1 ZINC000037806752 166924882 /nfs/dbraw/zinc/92/48/82/166924882.db2.gz CPCBRLHJLVRSBF-VIFPVBQESA-N 1 1 227.308 -0.164 10 0 BBAEMO COCCN(CC(C)C)C(=O)[C@H]([NH3+])CC(N)=O ZINC000037809129 174287733 /nfs/dbraw/zinc/28/77/33/174287733.db2.gz GXPKHDBFIQELDW-SECBINFHSA-N 1 1 245.323 -0.680 10 0 BBAEMO COCCN(CC(C)C)C(=O)[C@@H]([NH3+])CC(N)=O ZINC000037809130 174286806 /nfs/dbraw/zinc/28/68/06/174286806.db2.gz GXPKHDBFIQELDW-VIFPVBQESA-N 1 1 245.323 -0.680 10 0 BBAEMO CC(C)CCN(C)C(=O)[C@H]([NH3+])CC(N)=O ZINC000037817942 398334557 /nfs/dbraw/zinc/33/45/57/398334557.db2.gz BKOHKNJNFXHNJY-MRVPVSSYSA-N 1 1 215.297 -0.306 10 0 BBAEMO CC(C)CCN(C)C(=O)[C@@H]([NH3+])CC(N)=O ZINC000037817943 398334649 /nfs/dbraw/zinc/33/46/49/398334649.db2.gz BKOHKNJNFXHNJY-QMMMGPOBSA-N 1 1 215.297 -0.306 10 0 BBAEMO CCC1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000037822573 712764895 /nfs/dbraw/zinc/76/48/95/712764895.db2.gz JJENMJDOKPLITD-SECBINFHSA-N 1 1 227.308 -0.162 10 0 BBAEMO CCC1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000037822574 168525300 /nfs/dbraw/zinc/52/53/00/168525300.db2.gz JJENMJDOKPLITD-VIFPVBQESA-N 1 1 227.308 -0.162 10 0 BBAEMO [NH3+]CC(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000037822907 181348513 /nfs/dbraw/zinc/34/85/13/181348513.db2.gz WAAPINPAEHQKBV-LLVKDONJSA-N 1 1 241.335 -0.342 10 0 BBAEMO [NH3+]CC(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000037822908 181347554 /nfs/dbraw/zinc/34/75/54/181347554.db2.gz WAAPINPAEHQKBV-NSHDSACASA-N 1 1 241.335 -0.342 10 0 BBAEMO CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSC[NH2+]1 ZINC000037826605 173298259 /nfs/dbraw/zinc/29/82/59/173298259.db2.gz UJSJAODZSFLVOH-YUMQZZPRSA-N 1 1 243.332 -0.614 10 0 BBAEMO CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CSC[NH2+]1 ZINC000037826606 173306786 /nfs/dbraw/zinc/30/67/86/173306786.db2.gz UJSJAODZSFLVOH-JGVFFNPUSA-N 1 1 243.332 -0.614 10 0 BBAEMO CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSC[NH2+]1 ZINC000037826607 173298084 /nfs/dbraw/zinc/29/80/84/173298084.db2.gz UJSJAODZSFLVOH-SFYZADRCSA-N 1 1 243.332 -0.614 10 0 BBAEMO CNC(=O)[C@H]1CCCN1C(=O)[C@H]1CSC[NH2+]1 ZINC000037826608 173307259 /nfs/dbraw/zinc/30/72/59/173307259.db2.gz UJSJAODZSFLVOH-HTQZYQBOSA-N 1 1 243.332 -0.614 10 0 BBAEMO CCN(C[C@@H]1CCOC1)C(=O)[C@H]([NH3+])CC(N)=O ZINC000037827300 169888738 /nfs/dbraw/zinc/88/87/38/169888738.db2.gz XUQPUWQJPUOSNH-DTWKUNHWSA-N 1 1 243.307 -0.926 10 0 BBAEMO C=CC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000037833018 188288415 /nfs/dbraw/zinc/28/84/15/188288415.db2.gz RWIXNSUHOQUCRL-UHFFFAOYSA-N 1 1 239.319 -0.205 10 0 BBAEMO C=CC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000037833018 188288413 /nfs/dbraw/zinc/28/84/13/188288413.db2.gz RWIXNSUHOQUCRL-UHFFFAOYSA-N 1 1 239.319 -0.205 10 0 BBAEMO CC(C)(CO)[NH2+]C[C@H](O)CN1CCCC1 ZINC000037888246 712780910 /nfs/dbraw/zinc/78/09/10/712780910.db2.gz GPSISJGEFFTDIJ-JTQLQIEISA-N 1 1 216.325 -0.196 10 0 BBAEMO CC(C)(CO)[NH2+]C[C@@H](O)CN1CCCC1 ZINC000037888247 712780811 /nfs/dbraw/zinc/78/08/11/712780811.db2.gz GPSISJGEFFTDIJ-SNVBAGLBSA-N 1 1 216.325 -0.196 10 0 BBAEMO CN1CC[C@H](C[NH2+][C@@H]2COC[C@@H]2O)C1 ZINC000037894348 350289784 /nfs/dbraw/zinc/28/97/84/350289784.db2.gz COHMEUGQFKKXPX-BBBLOLIVSA-N 1 1 200.282 -0.713 10 0 BBAEMO C[N@H+]1CC[C@H](CN[C@@H]2COC[C@@H]2O)C1 ZINC000037894348 350289782 /nfs/dbraw/zinc/28/97/82/350289782.db2.gz COHMEUGQFKKXPX-BBBLOLIVSA-N 1 1 200.282 -0.713 10 0 BBAEMO C[N@@H+]1CC[C@H](CN[C@@H]2COC[C@@H]2O)C1 ZINC000037894348 350289781 /nfs/dbraw/zinc/28/97/81/350289781.db2.gz COHMEUGQFKKXPX-BBBLOLIVSA-N 1 1 200.282 -0.713 10 0 BBAEMO C[N@H+]1CC[C@H](C[NH2+][C@@H]2COC[C@@H]2O)C1 ZINC000037894348 350289779 /nfs/dbraw/zinc/28/97/79/350289779.db2.gz COHMEUGQFKKXPX-BBBLOLIVSA-N 1 1 200.282 -0.713 10 0 BBAEMO NC(=O)NC(=O)CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037904764 181254213 /nfs/dbraw/zinc/25/42/13/181254213.db2.gz NPYDYYPNRDQFNU-MRVPVSSYSA-N 1 1 240.307 -0.745 10 0 BBAEMO NC(=O)NC(=O)CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037904765 181254274 /nfs/dbraw/zinc/25/42/74/181254274.db2.gz NPYDYYPNRDQFNU-QMMMGPOBSA-N 1 1 240.307 -0.745 10 0 BBAEMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCNCC1 ZINC000037910919 176108722 /nfs/dbraw/zinc/10/87/22/176108722.db2.gz CMRTVGWIBGNZIX-SNVBAGLBSA-N 1 1 211.309 -0.098 10 0 BBAEMO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCNCC1 ZINC000037910919 176108721 /nfs/dbraw/zinc/10/87/21/176108721.db2.gz CMRTVGWIBGNZIX-SNVBAGLBSA-N 1 1 211.309 -0.098 10 0 BBAEMO C[C@H]1CCC[N@H+]1CC(=O)N1CCNCC1 ZINC000037910920 177109729 /nfs/dbraw/zinc/10/97/29/177109729.db2.gz CMRTVGWIBGNZIX-JTQLQIEISA-N 1 1 211.309 -0.098 10 0 BBAEMO C[C@H]1CCC[N@@H+]1CC(=O)N1CCNCC1 ZINC000037910920 177109728 /nfs/dbraw/zinc/10/97/28/177109728.db2.gz CMRTVGWIBGNZIX-JTQLQIEISA-N 1 1 211.309 -0.098 10 0 BBAEMO CC[C@H]1CCCN1C(=O)[C@H]([NH3+])CC(N)=O ZINC000037915068 171618455 /nfs/dbraw/zinc/61/84/55/171618455.db2.gz NGNAWADGCOXFLZ-JGVFFNPUSA-N 1 1 213.281 -0.410 10 0 BBAEMO O=C(NCc1nnc[nH]1)[C@@H]1CCCC[NH2+]1 ZINC000037920023 182272638 /nfs/dbraw/zinc/27/26/38/182272638.db2.gz QHZQGOJUKOTSCQ-ZETCQYMHSA-N 1 1 209.253 -0.437 10 0 BBAEMO O=C(NCc1nnc[nH]1)[C@H]1CCCC[NH2+]1 ZINC000037920024 182271357 /nfs/dbraw/zinc/27/13/57/182271357.db2.gz QHZQGOJUKOTSCQ-SSDOTTSWSA-N 1 1 209.253 -0.437 10 0 BBAEMO O=C(NCc1nnc[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000037920027 182272546 /nfs/dbraw/zinc/27/25/46/182272546.db2.gz WHGVMHNVVCRXEI-SSDOTTSWSA-N 1 1 209.253 -0.580 10 0 BBAEMO O=C(NCc1nnc[nH]1)[C@H]1CCC[NH2+]C1 ZINC000037920028 182272016 /nfs/dbraw/zinc/27/20/16/182272016.db2.gz WHGVMHNVVCRXEI-ZETCQYMHSA-N 1 1 209.253 -0.580 10 0 BBAEMO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1nnc[nH]1 ZINC000037920093 398335240 /nfs/dbraw/zinc/33/52/40/398335240.db2.gz WQRVBLMXQUEBHC-HTRCEHHLSA-N 1 1 211.269 -0.206 10 0 BBAEMO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1nnc[nH]1 ZINC000037920094 398335313 /nfs/dbraw/zinc/33/53/13/398335313.db2.gz WQRVBLMXQUEBHC-POYBYMJQSA-N 1 1 211.269 -0.206 10 0 BBAEMO CC(C)C[C@@H]([NH3+])C(=O)NCc1nnc[nH]1 ZINC000037920102 398335324 /nfs/dbraw/zinc/33/53/24/398335324.db2.gz OYZDODGAWGCHLG-SSDOTTSWSA-N 1 1 211.269 -0.206 10 0 BBAEMO [NH3+]C1CCC(C(=O)NCc2nnc[nH]2)CC1 ZINC000037920153 181340694 /nfs/dbraw/zinc/34/06/94/181340694.db2.gz HGSUAWGPHGKINF-UHFFFAOYSA-N 1 1 223.280 -0.062 10 0 BBAEMO COC(=O)C1(N2CC[NH2+]CC2)CCN(C)CC1 ZINC000037963749 173510895 /nfs/dbraw/zinc/51/08/95/173510895.db2.gz DKLZMEHYFUHPMZ-UHFFFAOYSA-N 1 1 241.335 -0.471 10 0 BBAEMO NC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CSC[NH2+]1 ZINC000037996481 181267955 /nfs/dbraw/zinc/26/79/55/181267955.db2.gz MTPDAVMKMXKWGE-YUMQZZPRSA-N 1 1 243.332 -0.485 10 0 BBAEMO NC(=O)[C@H]1CCCCN1C(=O)[C@@H]1CSC[NH2+]1 ZINC000037996482 181279911 /nfs/dbraw/zinc/27/99/11/181279911.db2.gz MTPDAVMKMXKWGE-JGVFFNPUSA-N 1 1 243.332 -0.485 10 0 BBAEMO NC(=O)[C@@H]1CCCCN1C(=O)[C@H]1CSC[NH2+]1 ZINC000037996483 181268351 /nfs/dbraw/zinc/26/83/51/181268351.db2.gz MTPDAVMKMXKWGE-SFYZADRCSA-N 1 1 243.332 -0.485 10 0 BBAEMO NC(=O)[C@H]1CCCCN1C(=O)[C@H]1CSC[NH2+]1 ZINC000037996484 181279760 /nfs/dbraw/zinc/27/97/60/181279760.db2.gz MTPDAVMKMXKWGE-HTQZYQBOSA-N 1 1 243.332 -0.485 10 0 BBAEMO CN1C(=O)C[C@H]([NH2+]Cc2cn[nH]c2)C1=O ZINC000038006459 172967303 /nfs/dbraw/zinc/96/73/03/172967303.db2.gz UOKVRYVYZZWNBG-ZETCQYMHSA-N 1 1 208.221 -0.743 10 0 BBAEMO O=C1C[C@H]([NH2+]Cc2cn[nH]c2)C(=O)N1C1CC1 ZINC000038006463 182784652 /nfs/dbraw/zinc/78/46/52/182784652.db2.gz UMBJYUBPFVAYDO-VIFPVBQESA-N 1 1 234.259 -0.211 10 0 BBAEMO O=C(NCc1cn[nH]c1)[C@@H]1CSC[NH2+]1 ZINC000038006539 182269999 /nfs/dbraw/zinc/26/99/99/182269999.db2.gz RNASKQNYJKDKDD-ZETCQYMHSA-N 1 1 212.278 -0.312 10 0 BBAEMO O=C(NCc1cn[nH]c1)[C@H]1CSC[NH2+]1 ZINC000038006540 182270227 /nfs/dbraw/zinc/27/02/27/182270227.db2.gz RNASKQNYJKDKDD-SSDOTTSWSA-N 1 1 212.278 -0.312 10 0 BBAEMO CC[C@H](C)NC(=O)CCNC[C@H](O)C[NH+](C)C ZINC000038014376 171322297 /nfs/dbraw/zinc/32/22/97/171322297.db2.gz MTYKHTVFBCYRSV-QWRGUYRKSA-N 1 1 245.367 -0.197 10 0 BBAEMO CC[C@H](C)NC(=O)CCNC[C@@H](O)C[NH+](C)C ZINC000038014378 171322338 /nfs/dbraw/zinc/32/23/38/171322338.db2.gz MTYKHTVFBCYRSV-WDEREUQCSA-N 1 1 245.367 -0.197 10 0 BBAEMO Cc1nccc(C[NH2+][C@@H]2COC[C@@H]2O)n1 ZINC000038037843 180192299 /nfs/dbraw/zinc/19/22/99/180192299.db2.gz GOFKPVYYWRWIED-ZJUUUORDSA-N 1 1 209.249 -0.366 10 0 BBAEMO Cc1nccc(C[NH2+][C@H]2COC[C@@H]2O)n1 ZINC000038037844 180192830 /nfs/dbraw/zinc/19/28/30/180192830.db2.gz GOFKPVYYWRWIED-UWVGGRQHSA-N 1 1 209.249 -0.366 10 0 BBAEMO Cc1nccc(C[NH2+][C@@H]2COC[C@H]2O)n1 ZINC000038037845 180191870 /nfs/dbraw/zinc/19/18/70/180191870.db2.gz GOFKPVYYWRWIED-NXEZZACHSA-N 1 1 209.249 -0.366 10 0 BBAEMO Cc1nccc(C[NH2+][C@H]2COC[C@H]2O)n1 ZINC000038037846 180192979 /nfs/dbraw/zinc/19/29/79/180192979.db2.gz GOFKPVYYWRWIED-VHSXEESVSA-N 1 1 209.249 -0.366 10 0 BBAEMO Cc1nccc(C[NH2+][C@@H](C)C(=O)NC(N)=O)n1 ZINC000038037953 180190896 /nfs/dbraw/zinc/19/08/96/180190896.db2.gz UAZSYRTYDUPHBN-LURJTMIESA-N 1 1 237.263 -0.542 10 0 BBAEMO Cc1nccc(C[NH2+][C@H](C)C(=O)NC(N)=O)n1 ZINC000038037954 180191357 /nfs/dbraw/zinc/19/13/57/180191357.db2.gz UAZSYRTYDUPHBN-ZCFIWIBFSA-N 1 1 237.263 -0.542 10 0 BBAEMO Cc1nccc(C[NH2+]CCS(C)(=O)=O)n1 ZINC000038038009 180189475 /nfs/dbraw/zinc/18/94/75/180189475.db2.gz HBIGZZCGOPYBKU-UHFFFAOYSA-N 1 1 229.305 -0.081 10 0 BBAEMO Cc1nccc(C[NH2+]CC(=O)N(C)C)n1 ZINC000038038041 180188647 /nfs/dbraw/zinc/18/86/47/180188647.db2.gz NDXHRFKXEOFYMM-UHFFFAOYSA-N 1 1 208.265 -0.037 10 0 BBAEMO Cc1nccc(C[NH2+]CC(=O)NC(N)=O)n1 ZINC000038038044 180188601 /nfs/dbraw/zinc/18/86/01/180188601.db2.gz VYIPQVIXJLBJSC-UHFFFAOYSA-N 1 1 223.236 -0.930 10 0 BBAEMO C[N@H+]1CCCN(C(=O)Cn2cnc(N)n2)CC1 ZINC000038038605 173011356 /nfs/dbraw/zinc/01/13/56/173011356.db2.gz IINADPMHTPAJKH-UHFFFAOYSA-N 1 1 238.295 -0.976 10 0 BBAEMO C(NC1CC[NH2+]CC1)[C@@H]1COCCO1 ZINC000038061182 386119036 /nfs/dbraw/zinc/11/90/36/386119036.db2.gz ITIQBBYACBVSMV-SNVBAGLBSA-N 1 1 200.282 -0.257 10 0 BBAEMO C(NC1CC[NH2+]CC1)[C@H]1COCCO1 ZINC000038061183 386118087 /nfs/dbraw/zinc/11/80/87/386118087.db2.gz ITIQBBYACBVSMV-JTQLQIEISA-N 1 1 200.282 -0.257 10 0 BBAEMO [NH3+]C1CCN(C[C@@H]2COCCO2)CC1 ZINC000038062667 181344927 /nfs/dbraw/zinc/34/49/27/181344927.db2.gz MJNIHPAJVYJVEF-SNVBAGLBSA-N 1 1 200.282 -0.175 10 0 BBAEMO [NH3+]C1CCN(C[C@H]2COCCO2)CC1 ZINC000038062668 181344770 /nfs/dbraw/zinc/34/47/70/181344770.db2.gz MJNIHPAJVYJVEF-JTQLQIEISA-N 1 1 200.282 -0.175 10 0 BBAEMO OC[C@@H]([C@@H]1CCOC1)[N@H+]1CCCNCC1 ZINC000038117391 183114210 /nfs/dbraw/zinc/11/42/10/183114210.db2.gz MJGUCBOLCCMLLX-MNOVXSKESA-N 1 1 214.309 -0.321 10 0 BBAEMO OC[C@@H]([C@@H]1CCOC1)[N@@H+]1CCCNCC1 ZINC000038117391 183114209 /nfs/dbraw/zinc/11/42/09/183114209.db2.gz MJGUCBOLCCMLLX-MNOVXSKESA-N 1 1 214.309 -0.321 10 0 BBAEMO OC[C@@H]([C@@H]1CCOC1)N1CCC[NH2+]CC1 ZINC000038117391 183114206 /nfs/dbraw/zinc/11/42/06/183114206.db2.gz MJGUCBOLCCMLLX-MNOVXSKESA-N 1 1 214.309 -0.321 10 0 BBAEMO OC[C@@H]([C@@H]1CCOC1)[N@H+]1CCC[NH2+]CC1 ZINC000038117391 183114205 /nfs/dbraw/zinc/11/42/05/183114205.db2.gz MJGUCBOLCCMLLX-MNOVXSKESA-N 1 1 214.309 -0.321 10 0 BBAEMO OC[C@H]([C@@H]1CCOC1)[N@H+]1CCCNCC1 ZINC000038117392 183144792 /nfs/dbraw/zinc/14/47/92/183144792.db2.gz MJGUCBOLCCMLLX-GHMZBOCLSA-N 1 1 214.309 -0.321 10 0 BBAEMO OC[C@H]([C@@H]1CCOC1)[N@@H+]1CCCNCC1 ZINC000038117392 183144790 /nfs/dbraw/zinc/14/47/90/183144790.db2.gz MJGUCBOLCCMLLX-GHMZBOCLSA-N 1 1 214.309 -0.321 10 0 BBAEMO OC[C@H]([C@@H]1CCOC1)N1CCC[NH2+]CC1 ZINC000038117392 183144788 /nfs/dbraw/zinc/14/47/88/183144788.db2.gz MJGUCBOLCCMLLX-GHMZBOCLSA-N 1 1 214.309 -0.321 10 0 BBAEMO OC[C@H]([C@@H]1CCOC1)[N@H+]1CCC[NH2+]CC1 ZINC000038117392 183144787 /nfs/dbraw/zinc/14/47/87/183144787.db2.gz MJGUCBOLCCMLLX-GHMZBOCLSA-N 1 1 214.309 -0.321 10 0 BBAEMO OCC1([N@H+]2CCCNCC2)CCOCC1 ZINC000038117501 183037017 /nfs/dbraw/zinc/03/70/17/183037017.db2.gz XHVVXEVOZLJRTM-UHFFFAOYSA-N 1 1 214.309 -0.177 10 0 BBAEMO OCC1([N@@H+]2CCCNCC2)CCOCC1 ZINC000038117501 183037016 /nfs/dbraw/zinc/03/70/16/183037016.db2.gz XHVVXEVOZLJRTM-UHFFFAOYSA-N 1 1 214.309 -0.177 10 0 BBAEMO OCC1(N2CCC[NH2+]CC2)CCOCC1 ZINC000038117501 183037013 /nfs/dbraw/zinc/03/70/13/183037013.db2.gz XHVVXEVOZLJRTM-UHFFFAOYSA-N 1 1 214.309 -0.177 10 0 BBAEMO OC[C@H]([C@@H]1CCOC1)[NH+]1CCNCC1 ZINC000038120785 183145192 /nfs/dbraw/zinc/14/51/92/183145192.db2.gz KTGFYWVSPKPTPF-NXEZZACHSA-N 1 1 200.282 -0.711 10 0 BBAEMO OC[C@H]([C@H]1CCOC1)[NH+]1CCNCC1 ZINC000038120786 183144998 /nfs/dbraw/zinc/14/49/98/183144998.db2.gz KTGFYWVSPKPTPF-VHSXEESVSA-N 1 1 200.282 -0.711 10 0 BBAEMO OC[C@@H]([C@@H]1CCOC1)[NH+]1CCNCC1 ZINC000038120787 183114338 /nfs/dbraw/zinc/11/43/38/183114338.db2.gz KTGFYWVSPKPTPF-ZJUUUORDSA-N 1 1 200.282 -0.711 10 0 BBAEMO OC[C@@H]([C@H]1CCOC1)[NH+]1CCNCC1 ZINC000038120788 183114752 /nfs/dbraw/zinc/11/47/52/183114752.db2.gz KTGFYWVSPKPTPF-UWVGGRQHSA-N 1 1 200.282 -0.711 10 0 BBAEMO OCC1([NH+]2CCNCC2)CCOCC1 ZINC000038120913 183036769 /nfs/dbraw/zinc/03/67/69/183036769.db2.gz BJTXESNQHUFRRW-UHFFFAOYSA-N 1 1 200.282 -0.567 10 0 BBAEMO Nc1nc(N2CCOCC2)c(N)c(N)[nH+]1 ZINC000038951868 132343660 /nfs/dbraw/zinc/34/36/60/132343660.db2.gz DUHATDNXRFRRFH-UHFFFAOYSA-N 1 1 210.241 -0.940 10 0 BBAEMO COC(=O)[C@H]([NH3+])Cn1ccc(=O)c(O)c1 ZINC000039097224 173799246 /nfs/dbraw/zinc/79/92/46/173799246.db2.gz IOYVGPITPVKNSC-ZCFIWIBFSA-N 1 1 212.205 -0.946 10 0 BBAEMO COC(=O)[C@@H]([NH3+])Cn1ccc(=O)c(O)c1 ZINC000039097226 343382454 /nfs/dbraw/zinc/38/24/54/343382454.db2.gz IOYVGPITPVKNSC-LURJTMIESA-N 1 1 212.205 -0.946 10 0 BBAEMO C[C@H]([NH3+])C(=O)OCc1cc(=O)c(O)co1 ZINC000039097370 176753994 /nfs/dbraw/zinc/75/39/94/176753994.db2.gz QNCCAAYNBRYLJY-YFKPBYRVSA-N 1 1 213.189 -0.264 10 0 BBAEMO CC[C@@]12[C@H](O)[C@H](O)C[N@H+]1CCC[C@H]2O ZINC000039100730 171218480 /nfs/dbraw/zinc/21/84/80/171218480.db2.gz TVJIMMLIHATASP-ZYUZMQFOSA-N 1 1 201.266 -0.673 10 0 BBAEMO CC[N@H+]1CCc2ncc(N)[n+]([O-])c2CC1 ZINC000039101241 170025262 /nfs/dbraw/zinc/02/52/62/170025262.db2.gz IBZHVMZOMAVKRS-UHFFFAOYSA-N 1 1 208.265 -0.282 10 0 BBAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(N)=O ZINC000039101665 343383873 /nfs/dbraw/zinc/38/38/73/343383873.db2.gz XOCMRDQRTFDCPW-MRVPVSSYSA-N 1 1 213.281 -0.586 10 0 BBAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(N)=O ZINC000039101666 343383858 /nfs/dbraw/zinc/38/38/58/343383858.db2.gz XOCMRDQRTFDCPW-QMMMGPOBSA-N 1 1 213.281 -0.586 10 0 BBAEMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)C(N)=O ZINC000039102714 384102568 /nfs/dbraw/zinc/10/25/68/384102568.db2.gz BTEZDBMOWVNTTN-SECBINFHSA-N 1 1 227.308 -0.196 10 0 BBAEMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)C(N)=O ZINC000039102715 384103566 /nfs/dbraw/zinc/10/35/66/384103566.db2.gz BTEZDBMOWVNTTN-VIFPVBQESA-N 1 1 227.308 -0.196 10 0 BBAEMO C[NH+]1CCN(NC(=O)[C@@H]2CCCO2)CC1 ZINC000039109442 173090428 /nfs/dbraw/zinc/09/04/28/173090428.db2.gz MJESPUKHOLPKDZ-VIFPVBQESA-N 1 1 213.281 -0.556 10 0 BBAEMO C[NH+]1CCN(NC(=O)[C@H]2CCCO2)CC1 ZINC000039109443 173089997 /nfs/dbraw/zinc/08/99/97/173089997.db2.gz MJESPUKHOLPKDZ-SECBINFHSA-N 1 1 213.281 -0.556 10 0 BBAEMO CN1C(=O)C[S@](=O)C12CC[NH+](C)CC2 ZINC000039109777 173003477 /nfs/dbraw/zinc/00/34/77/173003477.db2.gz RFRDHWAMLZRYKV-CQSZACIVSA-N 1 1 216.306 -0.371 10 0 BBAEMO CN1C(=O)C[S@@](=O)C12CC[NH+](C)CC2 ZINC000039109778 173003055 /nfs/dbraw/zinc/00/30/55/173003055.db2.gz RFRDHWAMLZRYKV-AWEZNQCLSA-N 1 1 216.306 -0.371 10 0 BBAEMO O[C@@H]1[C@@H](CNC2CCCC2)[NH2+]C[C@@H]1O ZINC000039112775 183245659 /nfs/dbraw/zinc/24/56/59/183245659.db2.gz CAYLVMUUXWDLQS-KXUCPTDWSA-N 1 1 200.282 -0.788 10 0 BBAEMO COCC[NH+]1CCN(C(N)=S)CC1 ZINC000039128992 174309093 /nfs/dbraw/zinc/30/90/93/174309093.db2.gz LSDDTHKHFVLBQP-UHFFFAOYSA-N 1 1 203.311 -0.506 10 0 BBAEMO Cn1c(/C=C/[NH+](C)C)cc(=O)n(C)c1=O ZINC000039234270 343387185 /nfs/dbraw/zinc/38/71/85/343387185.db2.gz HBNQQOKPVWVOMN-AATRIKPKSA-N 1 1 209.249 -0.384 10 0 BBAEMO COC(=O)[C@@H](N)CCC[C@H]([NH3+])C(=O)OC ZINC000039317301 358222181 /nfs/dbraw/zinc/22/21/81/358222181.db2.gz UJSUWCBMTJCQAX-BQBZGAKWSA-N 1 1 218.253 -0.843 10 0 BBAEMO COC(=O)[C@H](N)CCC[C@@H]([NH3+])C(=O)OC ZINC000039317302 358222139 /nfs/dbraw/zinc/22/21/39/358222139.db2.gz UJSUWCBMTJCQAX-RNFRBKRXSA-N 1 1 218.253 -0.843 10 0 BBAEMO CC(=O)N1CCN(c2nc(N)cc[nH+]2)CC1 ZINC000039393607 132353703 /nfs/dbraw/zinc/35/37/03/132353703.db2.gz OTOPNLLXKXENHS-UHFFFAOYSA-N 1 1 221.264 -0.273 10 0 BBAEMO C[NH+](C)CCOC(=O)N[C@H]1C=CS(=O)(=O)C1 ZINC000040168367 187393512 /nfs/dbraw/zinc/39/35/12/187393512.db2.gz PFQRHBDQAARKCM-QMMMGPOBSA-N 1 1 248.304 -0.415 10 0 BBAEMO C[NH+](C)CCOC(=O)N[C@@H]1C=CS(=O)(=O)C1 ZINC000040168369 187393629 /nfs/dbraw/zinc/39/36/29/187393629.db2.gz PFQRHBDQAARKCM-MRVPVSSYSA-N 1 1 248.304 -0.415 10 0 BBAEMO O[C@@H]1C[NH2+][C@H](CNC2CCCC2)[C@H]1O ZINC000040455070 183208178 /nfs/dbraw/zinc/20/81/78/183208178.db2.gz CAYLVMUUXWDLQS-OPRDCNLKSA-N 1 1 200.282 -0.788 10 0 in-vivo BBAEMO O[C@@H]1C[NH2+][C@@H](CNC2CCCC2)[C@H]1O ZINC000040455073 183208045 /nfs/dbraw/zinc/20/80/45/183208045.db2.gz CAYLVMUUXWDLQS-IVZWLZJFSA-N 1 1 200.282 -0.788 10 0 in-vivo BBAEMO Nc1cnc(N2CC[NH+](CCO)CC2)nc1 ZINC000040455664 132347844 /nfs/dbraw/zinc/34/78/44/132347844.db2.gz VRKLGAFHVBYUDE-UHFFFAOYSA-N 1 1 223.280 -0.827 10 0 BBAEMO NC(=O)C[C@@H]([NH3+])C(=O)Nc1cccc(O)c1 ZINC000040495315 181241842 /nfs/dbraw/zinc/24/18/42/181241842.db2.gz CKYIHTFHCHCKBL-MRVPVSSYSA-N 1 1 223.232 -0.467 10 0 BBAEMO NC(=O)C[C@H]([NH3+])C(=O)Nc1cccc(O)c1 ZINC000040495316 181244941 /nfs/dbraw/zinc/24/49/41/181244941.db2.gz CKYIHTFHCHCKBL-QMMMGPOBSA-N 1 1 223.232 -0.467 10 0 BBAEMO COCC[N@H+]1CCC[C@@H]1C(=O)N1CCNCC1 ZINC000040508479 174306344 /nfs/dbraw/zinc/30/63/44/174306344.db2.gz ZUPUDGSRTOWBJR-LLVKDONJSA-N 1 1 241.335 -0.471 10 0 BBAEMO COCC[N@@H+]1CCC[C@@H]1C(=O)N1CCNCC1 ZINC000040508479 174306343 /nfs/dbraw/zinc/30/63/43/174306343.db2.gz ZUPUDGSRTOWBJR-LLVKDONJSA-N 1 1 241.335 -0.471 10 0 BBAEMO COCC[N@H+]1CCC[C@H]1C(=O)N1CCNCC1 ZINC000040508480 174308645 /nfs/dbraw/zinc/30/86/45/174308645.db2.gz ZUPUDGSRTOWBJR-NSHDSACASA-N 1 1 241.335 -0.471 10 0 BBAEMO COCC[N@@H+]1CCC[C@H]1C(=O)N1CCNCC1 ZINC000040508480 174308643 /nfs/dbraw/zinc/30/86/43/174308643.db2.gz ZUPUDGSRTOWBJR-NSHDSACASA-N 1 1 241.335 -0.471 10 0 BBAEMO CO[C@@H]1C[NH2+][C@H](CN2CCN(C)CC2)C1 ZINC000040637296 538972108 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ZINC000044932556 181327546 /nfs/dbraw/zinc/32/75/46/181327546.db2.gz RCUUZWTVUBXKBC-UHFFFAOYSA-N 1 1 224.268 -0.523 10 0 BBAEMO [NH3+]C1(C(=O)NCc2nn[nH]n2)CCCC1 ZINC000044932584 181328116 /nfs/dbraw/zinc/32/81/16/181328116.db2.gz WJBBYVAGMWZWSN-UHFFFAOYSA-N 1 1 210.241 -0.913 10 0 BBAEMO CCOC(=O)CC1([NH2+]CCNC(C)=O)COC1 ZINC000045028296 170198234 /nfs/dbraw/zinc/19/82/34/170198234.db2.gz JWJPILYOMUACBJ-UHFFFAOYSA-N 1 1 244.291 -0.566 10 0 BBAEMO C[NH+]1CCN(C[C@@](C)([NH3+])C(=O)[O-])CC1 ZINC000045227161 173085890 /nfs/dbraw/zinc/08/58/90/173085890.db2.gz CMKUSRWDYWERBL-SECBINFHSA-N 1 1 201.270 -0.964 10 0 BBAEMO C[NH+]1CCN(C[C@](C)([NH3+])C(=O)[O-])CC1 ZINC000045227164 173085704 /nfs/dbraw/zinc/08/57/04/173085704.db2.gz CMKUSRWDYWERBL-VIFPVBQESA-N 1 1 201.270 -0.964 10 0 BBAEMO C[N@H+]1CCCN(C[C@@](C)([NH3+])C(=O)[O-])CC1 ZINC000045232456 173015781 /nfs/dbraw/zinc/01/57/81/173015781.db2.gz ARNFNJJSOXUVQN-SNVBAGLBSA-N 1 1 215.297 -0.574 10 0 BBAEMO C[N@H+]1CCCN(C[C@](C)([NH3+])C(=O)[O-])CC1 ZINC000045232458 173016481 /nfs/dbraw/zinc/01/64/81/173016481.db2.gz ARNFNJJSOXUVQN-JTQLQIEISA-N 1 1 215.297 -0.574 10 0 BBAEMO NC(=O)[C@@H]([NH3+])CN1CCc2ccccc2C1 ZINC000045378690 181264888 /nfs/dbraw/zinc/26/48/88/181264888.db2.gz FLXXRCWLMNAURI-NSHDSACASA-N 1 1 219.288 -0.143 10 0 BBAEMO NC(=O)[C@@H](N)C[N@H+]1CCc2ccccc2C1 ZINC000045378690 181264886 /nfs/dbraw/zinc/26/48/86/181264886.db2.gz FLXXRCWLMNAURI-NSHDSACASA-N 1 1 219.288 -0.143 10 0 BBAEMO NC(=O)[C@H]([NH3+])CN1CCc2ccccc2C1 ZINC000045378692 181276780 /nfs/dbraw/zinc/27/67/80/181276780.db2.gz FLXXRCWLMNAURI-LLVKDONJSA-N 1 1 219.288 -0.143 10 0 BBAEMO NC(=O)[C@H](N)C[N@H+]1CCc2ccccc2C1 ZINC000045378692 181276777 /nfs/dbraw/zinc/27/67/77/181276777.db2.gz FLXXRCWLMNAURI-LLVKDONJSA-N 1 1 219.288 -0.143 10 0 BBAEMO CCOC(=O)[C@H](N)C[N@@H+](C)[C@@H](C)COC ZINC000045421353 170275854 /nfs/dbraw/zinc/27/58/54/170275854.db2.gz FKVSYEWLDGOAAR-DTWKUNHWSA-N 1 1 218.297 -0.157 10 0 BBAEMO CCOC(=O)[C@@H](N)C[N@@H+](C)[C@@H](C)COC ZINC000045421354 170253013 /nfs/dbraw/zinc/25/30/13/170253013.db2.gz FKVSYEWLDGOAAR-IUCAKERBSA-N 1 1 218.297 -0.157 10 0 BBAEMO CCOC(=O)[C@@H](N)C[N@@H+](CC)CCOC ZINC000045422929 170252491 /nfs/dbraw/zinc/25/24/91/170252491.db2.gz WWKGQZNVBCQULD-VIFPVBQESA-N 1 1 218.297 -0.155 10 0 BBAEMO CCOC(=O)[C@H](N)C[N@@H+](CC)CCOC ZINC000045422930 170275226 /nfs/dbraw/zinc/27/52/26/170275226.db2.gz WWKGQZNVBCQULD-SECBINFHSA-N 1 1 218.297 -0.155 10 0 BBAEMO CCOC(=O)[C@H](N)C[N@@H+](C)CCOC ZINC000045425009 170275262 /nfs/dbraw/zinc/27/52/62/170275262.db2.gz NTHAJIUNGOXWML-MRVPVSSYSA-N 1 1 204.270 -0.545 10 0 BBAEMO CCOC(=O)[C@@H](N)C[N@@H+](C)CCOC ZINC000045425014 170252883 /nfs/dbraw/zinc/25/28/83/170252883.db2.gz NTHAJIUNGOXWML-QMMMGPOBSA-N 1 1 204.270 -0.545 10 0 BBAEMO CCOC(=O)[C@H]([NH3+])Cn1nc(C)nc1C ZINC000045459533 170275975 /nfs/dbraw/zinc/27/59/75/170275975.db2.gz ADCYCCNWCWOOCD-MRVPVSSYSA-N 1 1 212.253 -0.215 10 0 BBAEMO CCOC(=O)[C@@H]([NH3+])Cn1nc(C)nc1C ZINC000045459535 170253707 /nfs/dbraw/zinc/25/37/07/170253707.db2.gz ADCYCCNWCWOOCD-QMMMGPOBSA-N 1 1 212.253 -0.215 10 0 BBAEMO COC(=O)[C@@](C)([NH3+])Cn1nc(C)nc1C ZINC000045459829 582880389 /nfs/dbraw/zinc/88/03/89/582880389.db2.gz OOMLBTRLHKATIL-VIFPVBQESA-N 1 1 212.253 -0.215 10 0 BBAEMO COC(=O)[C@](C)([NH3+])Cn1nc(C)nc1C ZINC000045459831 582880427 /nfs/dbraw/zinc/88/04/27/582880427.db2.gz OOMLBTRLHKATIL-SECBINFHSA-N 1 1 212.253 -0.215 10 0 BBAEMO COC(=O)[C@](C)([NH3+])CCN1C(=O)CCC1=O ZINC000045461173 631837046 /nfs/dbraw/zinc/83/70/46/631837046.db2.gz MXTHDWUKCIARLZ-SNVBAGLBSA-N 1 1 228.248 -0.584 10 0 BBAEMO COC(=O)[C@@](C)([NH3+])CCN1C(=O)CCC1=O ZINC000045461175 631837719 /nfs/dbraw/zinc/83/77/19/631837719.db2.gz MXTHDWUKCIARLZ-JTQLQIEISA-N 1 1 228.248 -0.584 10 0 BBAEMO [NH3+]CC1CCN([C@H]2CC(=O)NC2=O)CC1 ZINC000045626702 181365205 /nfs/dbraw/zinc/36/52/05/181365205.db2.gz KZSDBDIINZSKNC-QMMMGPOBSA-N 1 1 211.265 -0.928 10 0 BBAEMO C[C@@H]1C[N@@H+](C[C@H](N)C(N)=O)CC(C)(C)O1 ZINC000045709306 176298622 /nfs/dbraw/zinc/29/86/22/176298622.db2.gz SRMPMAPONNVACB-SFYZADRCSA-N 1 1 215.297 -0.702 10 0 BBAEMO C[C@@H]1C[N@H+](C[C@H](N)C(N)=O)CC(C)(C)O1 ZINC000045709306 176298621 /nfs/dbraw/zinc/29/86/21/176298621.db2.gz SRMPMAPONNVACB-SFYZADRCSA-N 1 1 215.297 -0.702 10 0 BBAEMO C[C@H]1C[N@@H+](C[C@H](N)C(N)=O)CC(C)(C)O1 ZINC000045709308 177257335 /nfs/dbraw/zinc/25/73/35/177257335.db2.gz SRMPMAPONNVACB-YUMQZZPRSA-N 1 1 215.297 -0.702 10 0 BBAEMO C[C@H]1C[N@H+](C[C@H](N)C(N)=O)CC(C)(C)O1 ZINC000045709308 177257334 /nfs/dbraw/zinc/25/73/34/177257334.db2.gz SRMPMAPONNVACB-YUMQZZPRSA-N 1 1 215.297 -0.702 10 0 BBAEMO Cn1nc(C(=O)N2CC[NH+](C)CC2)ccc1=O ZINC000046463105 173072077 /nfs/dbraw/zinc/07/20/77/173072077.db2.gz KZMMQQPYDAPDKD-UHFFFAOYSA-N 1 1 236.275 -0.832 10 0 BBAEMO CC(C)[C@@H](C)[NH+](CC(N)=O)CC(N)=O ZINC000047550477 358593540 /nfs/dbraw/zinc/59/35/40/358593540.db2.gz HEGXULWBISZBJE-SSDOTTSWSA-N 1 1 201.270 -0.697 10 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COCC(=O)N1CCN(CCCC[NH3+])CC1 ZINC000048631424 174042649 /nfs/dbraw/zinc/04/26/49/174042649.db2.gz WFFLGTWLWXSAKO-UHFFFAOYSA-N 1 1 229.324 -0.484 10 0 BBAEMO COCC(=O)N1CCN(CCCCC[NH3+])CC1 ZINC000048631430 174043184 /nfs/dbraw/zinc/04/31/84/174043184.db2.gz WZCXFNBOWIMEGD-UHFFFAOYSA-N 1 1 243.351 -0.094 10 0 BBAEMO CNC(=O)C[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000048695451 173277141 /nfs/dbraw/zinc/27/71/41/173277141.db2.gz LXBWEUDLIUIRQU-UHFFFAOYSA-N 1 1 246.270 -0.470 10 0 BBAEMO CN1N=C(C(=O)N[C@H]2CC[N@@H+](C)C2)CCC1=O ZINC000048919809 711731768 /nfs/dbraw/zinc/73/17/68/711731768.db2.gz ZAWDBOBIHLMCKM-QMMMGPOBSA-N 1 1 238.291 -0.585 10 0 BBAEMO CN1N=C(C(=O)N[C@@H]2CC[N@@H+](C)C2)CCC1=O ZINC000048919810 711731686 /nfs/dbraw/zinc/73/16/86/711731686.db2.gz ZAWDBOBIHLMCKM-MRVPVSSYSA-N 1 1 238.291 -0.585 10 0 BBAEMO NC(=O)C[C@@H]([NH3+])C(=O)NCCc1ccsc1 ZINC000049184943 181241795 /nfs/dbraw/zinc/24/17/95/181241795.db2.gz WFFAATYUGYVDMP-MRVPVSSYSA-N 1 1 241.316 -0.391 10 0 BBAEMO NC(=O)C[C@H]([NH3+])C(=O)NCCc1ccsc1 ZINC000049184944 181244295 /nfs/dbraw/zinc/24/42/95/181244295.db2.gz WFFAATYUGYVDMP-QMMMGPOBSA-N 1 1 241.316 -0.391 10 0 BBAEMO CCNC(=O)[C@@H](C)[NH2+][C@H]1CC(=O)N(CC)C1=O ZINC000049199900 170089527 /nfs/dbraw/zinc/08/95/27/170089527.db2.gz QYKZTVUYYGUJSF-SFYZADRCSA-N 1 1 241.291 -0.752 10 0 BBAEMO CCNC(=O)[C@H](C)[NH2+][C@H]1CC(=O)N(CC)C1=O ZINC000049199904 170095723 /nfs/dbraw/zinc/09/57/23/170095723.db2.gz QYKZTVUYYGUJSF-YUMQZZPRSA-N 1 1 241.291 -0.752 10 0 BBAEMO CCCNC(=O)[C@@H](C)[NH2+][C@H]1CC(=O)N(C)C1=O ZINC000049200164 169242486 /nfs/dbraw/zinc/24/24/86/169242486.db2.gz VPPNXFNHGPRIQV-SFYZADRCSA-N 1 1 241.291 -0.752 10 0 BBAEMO CCCNC(=O)[C@H](C)[NH2+][C@H]1CC(=O)N(C)C1=O ZINC000049200167 169247822 /nfs/dbraw/zinc/24/78/22/169247822.db2.gz VPPNXFNHGPRIQV-YUMQZZPRSA-N 1 1 241.291 -0.752 10 0 BBAEMO CC(C)[C@@H](C[NH+](C)C)N[C@@H]1CC(=O)N(C)C1=O ZINC000049200303 167395896 /nfs/dbraw/zinc/39/58/96/167395896.db2.gz UFZOIMNFACUHDC-NXEZZACHSA-N 1 1 241.335 -0.081 10 0 BBAEMO CC[N@H+]1CC[C@H](CNCC(=O)NCCOC)C1 ZINC000049278194 170015950 /nfs/dbraw/zinc/01/59/50/170015950.db2.gz KXKGAGBNGXMEII-LLVKDONJSA-N 1 1 243.351 -0.320 10 0 BBAEMO CC[N@H+]1CC[C@@H](CNCC(=O)NCCOC)C1 ZINC000049278197 170007585 /nfs/dbraw/zinc/00/75/85/170007585.db2.gz KXKGAGBNGXMEII-NSHDSACASA-N 1 1 243.351 -0.320 10 0 BBAEMO COCCNC(=O)CN[C@@H](C)C[NH+]1CCCC1 ZINC000049278456 174321130 /nfs/dbraw/zinc/32/11/30/174321130.db2.gz CHWYLTCEVCPWHZ-NSHDSACASA-N 1 1 243.351 -0.177 10 0 BBAEMO COCCNC(=O)CN[C@H](C)C[NH+]1CCCC1 ZINC000049278459 174321602 /nfs/dbraw/zinc/32/16/02/174321602.db2.gz CHWYLTCEVCPWHZ-LLVKDONJSA-N 1 1 243.351 -0.177 10 0 BBAEMO CN(C(=O)C[NH2+][C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000049304298 172310117 /nfs/dbraw/zinc/31/01/17/172310117.db2.gz DZAIEALGRVSPMU-MRVPVSSYSA-N 1 1 246.332 -0.616 10 0 BBAEMO CN(C(=O)C[NH2+][C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000049304300 172311681 /nfs/dbraw/zinc/31/16/81/172311681.db2.gz DZAIEALGRVSPMU-QMMMGPOBSA-N 1 1 246.332 -0.616 10 0 BBAEMO [NH3+]CCCN1CCN(CCn2cccn2)CC1 ZINC000049313885 181381088 /nfs/dbraw/zinc/38/10/88/181381088.db2.gz YWVNMFBSSAZKGH-UHFFFAOYSA-N 1 1 237.351 -0.151 10 0 BBAEMO OC[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000049474403 183122847 /nfs/dbraw/zinc/12/28/47/183122847.db2.gz UKSAQJXOSDBLAN-LLVKDONJSA-N 1 1 214.309 -0.367 10 0 BBAEMO OC[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000049474404 183152233 /nfs/dbraw/zinc/15/22/33/183152233.db2.gz UKSAQJXOSDBLAN-NSHDSACASA-N 1 1 214.309 -0.367 10 0 BBAEMO CN1CCN(CCC[N@H+]2CC[C@H](CO)C2)CC1 ZINC000049474427 173078459 /nfs/dbraw/zinc/07/84/59/173078459.db2.gz FNRJMLWBTBARPG-ZDUSSCGKSA-N 1 1 241.379 -0.062 10 0 BBAEMO CN1CCN(CCC[N@@H+]2CC[C@H](CO)C2)CC1 ZINC000049474427 173078457 /nfs/dbraw/zinc/07/84/57/173078457.db2.gz FNRJMLWBTBARPG-ZDUSSCGKSA-N 1 1 241.379 -0.062 10 0 BBAEMO CN1CCN(CCC[N@H+]2CC[C@@H](CO)C2)CC1 ZINC000049474428 173078635 /nfs/dbraw/zinc/07/86/35/173078635.db2.gz FNRJMLWBTBARPG-CYBMUJFWSA-N 1 1 241.379 -0.062 10 0 BBAEMO 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TXYXMVMXROKTBT-NXEZZACHSA-N 1 1 231.340 -0.193 10 0 BBAEMO CC[NH+](CC)C[C@H](C)NC(=O)[C@H](N)COC ZINC000088003989 136282794 /nfs/dbraw/zinc/28/27/94/136282794.db2.gz TXYXMVMXROKTBT-VHSXEESVSA-N 1 1 231.340 -0.193 10 0 BBAEMO CCCN(CC[NH+](C)C)C(=O)[C@H](N)COC ZINC000088003992 362819899 /nfs/dbraw/zinc/81/98/99/362819899.db2.gz VZLAPZQQEKXJNI-SNVBAGLBSA-N 1 1 231.340 -0.240 10 0 BBAEMO COC[C@@H](N)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000088004185 362819574 /nfs/dbraw/zinc/81/95/74/362819574.db2.gz HJQYWBUAXGNMCK-VHSXEESVSA-N 1 1 229.324 -0.487 10 0 BBAEMO COC[C@@H](N)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000088004186 362819418 /nfs/dbraw/zinc/81/94/18/362819418.db2.gz HJQYWBUAXGNMCK-NXEZZACHSA-N 1 1 229.324 -0.487 10 0 BBAEMO COC[C@H](N)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000088004187 362819609 /nfs/dbraw/zinc/81/96/09/362819609.db2.gz HJQYWBUAXGNMCK-UWVGGRQHSA-N 1 1 229.324 -0.487 10 0 BBAEMO COC[C@H](N)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000088004188 362819347 /nfs/dbraw/zinc/81/93/47/362819347.db2.gz HJQYWBUAXGNMCK-ZJUUUORDSA-N 1 1 229.324 -0.487 10 0 BBAEMO COC[C@@H](N)C(=O)NCC[N@@H+](C)C1CC1 ZINC000088004225 136283266 /nfs/dbraw/zinc/28/32/66/136283266.db2.gz YTCNROSWRRGRIA-SECBINFHSA-N 1 1 215.297 -0.830 10 0 BBAEMO COC[C@@H](N)C(=O)NCC[N@H+](C)C1CC1 ZINC000088004225 136283265 /nfs/dbraw/zinc/28/32/65/136283265.db2.gz YTCNROSWRRGRIA-SECBINFHSA-N 1 1 215.297 -0.830 10 0 BBAEMO COC[C@H](N)C(=O)NCC[N@@H+](C)C1CC1 ZINC000088004226 536861739 /nfs/dbraw/zinc/86/17/39/536861739.db2.gz YTCNROSWRRGRIA-VIFPVBQESA-N 1 1 215.297 -0.830 10 0 BBAEMO COC[C@H](N)C(=O)NCC[N@H+](C)C1CC1 ZINC000088004226 536861735 /nfs/dbraw/zinc/86/17/35/536861735.db2.gz YTCNROSWRRGRIA-VIFPVBQESA-N 1 1 215.297 -0.830 10 0 BBAEMO COC[C@@H](N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000088004249 536658785 /nfs/dbraw/zinc/65/87/85/536658785.db2.gz BHOSKFFGHPBXKG-RKDXNWHRSA-N 1 1 215.297 -0.877 10 0 BBAEMO COC[C@@H](N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000088004250 136283553 /nfs/dbraw/zinc/28/35/53/136283553.db2.gz BHOSKFFGHPBXKG-DTWKUNHWSA-N 1 1 215.297 -0.877 10 0 BBAEMO COC[C@H](N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000088004251 136283465 /nfs/dbraw/zinc/28/34/65/136283465.db2.gz BHOSKFFGHPBXKG-BDAKNGLRSA-N 1 1 215.297 -0.877 10 0 BBAEMO COC[C@H](N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000088004252 136283493 /nfs/dbraw/zinc/28/34/93/136283493.db2.gz BHOSKFFGHPBXKG-IUCAKERBSA-N 1 1 215.297 -0.877 10 0 BBAEMO COC[C@@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000088004828 351510836 /nfs/dbraw/zinc/51/08/36/351510836.db2.gz RMUBUTDNPWHLQU-NXEZZACHSA-N 1 1 229.324 -0.487 10 0 BBAEMO COC[C@@H](N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000088004829 351510900 /nfs/dbraw/zinc/51/09/00/351510900.db2.gz RMUBUTDNPWHLQU-VHSXEESVSA-N 1 1 229.324 -0.487 10 0 BBAEMO COC[C@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000088004830 351510439 /nfs/dbraw/zinc/51/04/39/351510439.db2.gz RMUBUTDNPWHLQU-ZJUUUORDSA-N 1 1 229.324 -0.487 10 0 BBAEMO COC[C@H](N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000088004831 351510978 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CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CNC(=O)C1 ZINC000134922080 358810937 /nfs/dbraw/zinc/81/09/37/358810937.db2.gz KLVMPEAWTJXIGQ-NXEZZACHSA-N 1 1 239.319 -0.325 10 0 BBAEMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1CNC(=O)C1 ZINC000134922102 358811168 /nfs/dbraw/zinc/81/11/68/358811168.db2.gz KLVMPEAWTJXIGQ-ZJUUUORDSA-N 1 1 239.319 -0.325 10 0 BBAEMO COc1c(C[NH2+]C(CO)CO)c(C)nn1C ZINC000135067549 358818993 /nfs/dbraw/zinc/81/89/93/358818993.db2.gz OLSDVGMWYPXAKP-UHFFFAOYSA-N 1 1 229.280 -0.820 10 0 BBAEMO CC1(C)CN(C(=O)[C@H]([NH3+])CC(N)=O)CCS1 ZINC000135078650 591981899 /nfs/dbraw/zinc/98/18/99/591981899.db2.gz JEFABWXCJNELAL-SSDOTTSWSA-N 1 1 245.348 -0.457 10 0 BBAEMO CC1(C)CN(C(=O)[C@@H]([NH3+])CC(N)=O)CCS1 ZINC000135078672 591982152 /nfs/dbraw/zinc/98/21/52/591982152.db2.gz JEFABWXCJNELAL-ZETCQYMHSA-N 1 1 245.348 -0.457 10 0 BBAEMO C[C@@H]1CCN(C(=O)[C@H]([NH3+])CC(N)=O)C[C@@H]1C ZINC000135095667 176161340 /nfs/dbraw/zinc/16/13/40/176161340.db2.gz CMROQQVALGJDFX-HRDYMLBCSA-N 1 1 227.308 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10 0 BBAEMO CC[N@@H+]1CCO[C@@H](CNCc2cn(C)nn2)C1 ZINC000135178699 384169393 /nfs/dbraw/zinc/16/93/93/384169393.db2.gz AGAKIVHOTWEDKI-NSHDSACASA-N 1 1 239.323 -0.375 10 0 BBAEMO CC(C)NC(=O)CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000135251330 167042484 /nfs/dbraw/zinc/04/24/84/167042484.db2.gz CZTGDKLVYHHXOA-VIFPVBQESA-N 1 1 243.307 -0.994 10 0 BBAEMO CC(C)NC(=O)CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000135251350 167041494 /nfs/dbraw/zinc/04/14/94/167041494.db2.gz CZTGDKLVYHHXOA-SECBINFHSA-N 1 1 243.307 -0.994 10 0 BBAEMO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)C2)C[C@H](C)[N@@H+]1C ZINC000135277885 358828346 /nfs/dbraw/zinc/82/83/46/358828346.db2.gz KEFJXFVJIRUBRT-KXUCPTDWSA-N 1 1 239.319 -0.327 10 0 BBAEMO C[C@]1(C(=O)NCCc2nc[nH]n2)CCCC[NH2+]1 ZINC000136190179 386570375 /nfs/dbraw/zinc/57/03/75/386570375.db2.gz DVEMLLOGHTXJBA-LLVKDONJSA-N 1 1 237.307 -0.004 10 0 BBAEMO C[C@@]1(C(=O)NCCc2nc[nH]n2)CCCC[NH2+]1 ZINC000136190212 386570682 /nfs/dbraw/zinc/57/06/82/386570682.db2.gz DVEMLLOGHTXJBA-NSHDSACASA-N 1 1 237.307 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/nfs/dbraw/zinc/56/67/59/350566759.db2.gz XSPIMMAKZSVPLP-DJLDLDEBSA-N 1 1 200.282 -0.176 10 0 BBAEMO CNC(=O)[C@H](C)[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000159471281 350567235 /nfs/dbraw/zinc/56/72/35/350567235.db2.gz XSPIMMAKZSVPLP-CIUDSAMLSA-N 1 1 200.282 -0.176 10 0 BBAEMO CNC(=O)[C@H](C)[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000159471409 350567303 /nfs/dbraw/zinc/56/73/03/350567303.db2.gz XSPIMMAKZSVPLP-YIZRAAEISA-N 1 1 200.282 -0.176 10 0 BBAEMO CC[NH+]1CCC(N(C)C(=O)[C@H](N)COC)CC1 ZINC000159621100 345448840 /nfs/dbraw/zinc/44/88/40/345448840.db2.gz KMSVDHPCAJZZMS-LLVKDONJSA-N 1 1 243.351 -0.097 10 0 BBAEMO CC[NH+]1CCC(N(C)C(=O)[C@@H](N)COC)CC1 ZINC000159621215 345448528 /nfs/dbraw/zinc/44/85/28/345448528.db2.gz KMSVDHPCAJZZMS-NSHDSACASA-N 1 1 243.351 -0.097 10 0 BBAEMO COC[C@@H](N)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000159637175 345447911 /nfs/dbraw/zinc/44/79/11/345447911.db2.gz HFGACRLOEYCXMN-WDEREUQCSA-N 1 1 243.351 -0.049 10 0 BBAEMO COC[C@@H](N)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000159637316 345448179 /nfs/dbraw/zinc/44/81/79/345448179.db2.gz HFGACRLOEYCXMN-GHMZBOCLSA-N 1 1 243.351 -0.049 10 0 BBAEMO COC[C@H](N)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000159637459 345448149 /nfs/dbraw/zinc/44/81/49/345448149.db2.gz HFGACRLOEYCXMN-QWRGUYRKSA-N 1 1 243.351 -0.049 10 0 BBAEMO COC[C@H](N)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000159637597 345447887 /nfs/dbraw/zinc/44/78/87/345447887.db2.gz HFGACRLOEYCXMN-MNOVXSKESA-N 1 1 243.351 -0.049 10 0 BBAEMO COC[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000159668081 384348886 /nfs/dbraw/zinc/34/88/86/384348886.db2.gz NBWQOBAMILVHNX-HBNTYKKESA-N 1 1 241.335 -0.297 10 0 BBAEMO COC[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000159668081 384348881 /nfs/dbraw/zinc/34/88/81/384348881.db2.gz NBWQOBAMILVHNX-HBNTYKKESA-N 1 1 241.335 -0.297 10 0 BBAEMO COC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000159668081 384348877 /nfs/dbraw/zinc/34/88/77/384348877.db2.gz NBWQOBAMILVHNX-HBNTYKKESA-N 1 1 241.335 -0.297 10 0 BBAEMO COC[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000159668346 345462016 /nfs/dbraw/zinc/46/20/16/345462016.db2.gz NBWQOBAMILVHNX-GARJFASQSA-N 1 1 241.335 -0.297 10 0 BBAEMO COC[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000159668346 345462015 /nfs/dbraw/zinc/46/20/15/345462015.db2.gz NBWQOBAMILVHNX-GARJFASQSA-N 1 1 241.335 -0.297 10 0 BBAEMO COC[C@@H](N)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000159769228 345527387 /nfs/dbraw/zinc/52/73/87/345527387.db2.gz YHJHTYNGFWTLGH-LLVKDONJSA-N 1 1 243.351 -0.240 10 0 BBAEMO COC[C@H](N)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000159769304 345526993 /nfs/dbraw/zinc/52/69/93/345526993.db2.gz YHJHTYNGFWTLGH-NSHDSACASA-N 1 1 243.351 -0.240 10 0 BBAEMO COC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000159813962 323049237 /nfs/dbraw/zinc/04/92/37/323049237.db2.gz PXDIOGWMWDKMRB-GHMZBOCLSA-N 1 1 243.351 -0.193 10 0 BBAEMO COC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000159813962 323049236 /nfs/dbraw/zinc/04/92/36/323049236.db2.gz PXDIOGWMWDKMRB-GHMZBOCLSA-N 1 1 243.351 -0.193 10 0 BBAEMO COC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000159814117 323049190 /nfs/dbraw/zinc/04/91/90/323049190.db2.gz PXDIOGWMWDKMRB-WDEREUQCSA-N 1 1 243.351 -0.193 10 0 BBAEMO COC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000159814117 323049189 /nfs/dbraw/zinc/04/91/89/323049189.db2.gz PXDIOGWMWDKMRB-WDEREUQCSA-N 1 1 243.351 -0.193 10 0 BBAEMO COC[C@@H](N)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000159817371 345556524 /nfs/dbraw/zinc/55/65/24/345556524.db2.gz XTZSOOQWMUDUFN-LLVKDONJSA-N 1 1 243.351 -0.192 10 0 BBAEMO COC[C@H](N)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000159817489 345550701 /nfs/dbraw/zinc/55/07/01/345550701.db2.gz XTZSOOQWMUDUFN-NSHDSACASA-N 1 1 243.351 -0.192 10 0 BBAEMO CCC[NH+]1CCC(NC(=O)[C@H](N)COC)CC1 ZINC000159826758 345560878 /nfs/dbraw/zinc/56/08/78/345560878.db2.gz ANHUADQSACCKBB-LLVKDONJSA-N 1 1 243.351 -0.049 10 0 BBAEMO CCC[NH+]1CCC(NC(=O)[C@@H](N)COC)CC1 ZINC000159826902 345560833 /nfs/dbraw/zinc/56/08/33/345560833.db2.gz ANHUADQSACCKBB-NSHDSACASA-N 1 1 243.351 -0.049 10 0 BBAEMO CC[NH+]1CCC(CNC(=O)[C@H](N)COC)CC1 ZINC000159864934 343202769 /nfs/dbraw/zinc/20/27/69/343202769.db2.gz GHPPNLYZJVNXNH-LLVKDONJSA-N 1 1 243.351 -0.192 10 0 BBAEMO CC[NH+]1CCC(CNC(=O)[C@@H](N)COC)CC1 ZINC000159865079 343202991 /nfs/dbraw/zinc/20/29/91/343202991.db2.gz GHPPNLYZJVNXNH-NSHDSACASA-N 1 1 243.351 -0.192 10 0 BBAEMO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](N)COC)C1 ZINC000159915852 134793645 /nfs/dbraw/zinc/79/36/45/134793645.db2.gz JJKLJBWSNXGCJB-GHMZBOCLSA-N 1 1 243.351 -0.097 10 0 BBAEMO CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](N)COC)C1 ZINC000159915985 345648603 /nfs/dbraw/zinc/64/86/03/345648603.db2.gz JJKLJBWSNXGCJB-WDEREUQCSA-N 1 1 243.351 -0.097 10 0 BBAEMO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](N)COC)C1 ZINC000159916122 345649144 /nfs/dbraw/zinc/64/91/44/345649144.db2.gz JJKLJBWSNXGCJB-MNOVXSKESA-N 1 1 243.351 -0.097 10 0 BBAEMO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](N)COC)C1 ZINC000159916256 345649186 /nfs/dbraw/zinc/64/91/86/345649186.db2.gz JJKLJBWSNXGCJB-QWRGUYRKSA-N 1 1 243.351 -0.097 10 0 BBAEMO COC[C@@H](N)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000159919087 323053939 /nfs/dbraw/zinc/05/39/39/323053939.db2.gz JTVSTFZBUVJKMJ-LLVKDONJSA-N 1 1 243.351 -0.240 10 0 BBAEMO COC[C@H](N)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000159919229 323054000 /nfs/dbraw/zinc/05/40/00/323054000.db2.gz JTVSTFZBUVJKMJ-NSHDSACASA-N 1 1 243.351 -0.240 10 0 BBAEMO COC[C@@H](N)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000159922756 345660582 /nfs/dbraw/zinc/66/05/82/345660582.db2.gz QQHYOMYIFJBBOL-LLVKDONJSA-N 1 1 243.351 -0.049 10 0 BBAEMO COC[C@@H](N)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000159922756 345660578 /nfs/dbraw/zinc/66/05/78/345660578.db2.gz QQHYOMYIFJBBOL-LLVKDONJSA-N 1 1 243.351 -0.049 10 0 BBAEMO C[C@]1(CNC(=O)c2nc[nH]n2)CCC[NH2+]C1 ZINC000159972391 343202841 /nfs/dbraw/zinc/20/28/41/343202841.db2.gz IRKHFSFVTCLSOD-JTQLQIEISA-N 1 1 223.280 -0.076 10 0 BBAEMO C[C@]1(CNC(=O)c2ncn[nH]2)CCC[NH2+]C1 ZINC000159972391 343202840 /nfs/dbraw/zinc/20/28/40/343202840.db2.gz IRKHFSFVTCLSOD-JTQLQIEISA-N 1 1 223.280 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/nfs/dbraw/zinc/20/95/61/385209561.db2.gz WAKNLRVQEBJFRK-WDEREUQCSA-N 1 1 241.335 -0.473 10 0 BBAEMO O=C1NCC[C@H]1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178200613 346949281 /nfs/dbraw/zinc/94/92/81/346949281.db2.gz LBBKODKXNZJFKA-NXEZZACHSA-N 1 1 209.293 -0.345 10 0 BBAEMO O=C1NCC[C@H]1N1CC[N@H+]2CCC[C@H]2C1 ZINC000178200623 134304907 /nfs/dbraw/zinc/30/49/07/134304907.db2.gz LBBKODKXNZJFKA-VHSXEESVSA-N 1 1 209.293 -0.345 10 0 BBAEMO CC(C)[N@@H+](CCO)C[C@H](O)CN1CCCC1=O ZINC000178722073 385318393 /nfs/dbraw/zinc/31/83/93/385318393.db2.gz COXBJVDYLNZZTP-NSHDSACASA-N 1 1 244.335 -0.328 10 0 BBAEMO CC(C)[N@@H+](CCO)C[C@@H](O)CN1CCCC1=O ZINC000178722081 205642627 /nfs/dbraw/zinc/64/26/27/205642627.db2.gz COXBJVDYLNZZTP-LLVKDONJSA-N 1 1 244.335 -0.328 10 0 BBAEMO CNC(=O)[C@H](NC(=O)C[NH+](C)C)C(C)C ZINC000179124855 385364062 /nfs/dbraw/zinc/36/40/62/385364062.db2.gz AHPNDXXZMBLENU-SECBINFHSA-N 1 1 215.297 -0.565 10 0 BBAEMO CC(C)CNC(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000179173067 134318258 /nfs/dbraw/zinc/31/82/58/134318258.db2.gz QVXZTYVBOYFUMD-NXEZZACHSA-N 1 1 230.308 -0.814 10 0 BBAEMO CC(C)CNC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000179173067 134318257 /nfs/dbraw/zinc/31/82/57/134318257.db2.gz QVXZTYVBOYFUMD-NXEZZACHSA-N 1 1 230.308 -0.814 10 0 BBAEMO CC(C)CNC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179173080 134318033 /nfs/dbraw/zinc/31/80/33/134318033.db2.gz QVXZTYVBOYFUMD-ZJUUUORDSA-N 1 1 230.308 -0.814 10 0 BBAEMO CC(C)CNC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179173080 134318032 /nfs/dbraw/zinc/31/80/32/134318032.db2.gz QVXZTYVBOYFUMD-ZJUUUORDSA-N 1 1 230.308 -0.814 10 0 BBAEMO CCN(CC)C(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000179174676 134317855 /nfs/dbraw/zinc/31/78/55/134317855.db2.gz IURIYLKKVLDGSZ-NXEZZACHSA-N 1 1 230.308 -0.718 10 0 BBAEMO CCN(CC)C(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179174689 535435215 /nfs/dbraw/zinc/43/52/15/535435215.db2.gz IURIYLKKVLDGSZ-ZJUUUORDSA-N 1 1 230.308 -0.718 10 0 BBAEMO CCCCNC(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000179176610 134317981 /nfs/dbraw/zinc/31/79/81/134317981.db2.gz ZDOUNZNASIBYPZ-NXEZZACHSA-N 1 1 230.308 -0.670 10 0 BBAEMO CCCCNC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000179176610 134317980 /nfs/dbraw/zinc/31/79/80/134317980.db2.gz ZDOUNZNASIBYPZ-NXEZZACHSA-N 1 1 230.308 -0.670 10 0 BBAEMO CCCCNC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179176621 134317965 /nfs/dbraw/zinc/31/79/65/134317965.db2.gz ZDOUNZNASIBYPZ-ZJUUUORDSA-N 1 1 230.308 -0.670 10 0 BBAEMO CCCCNC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179176621 134317964 /nfs/dbraw/zinc/31/79/64/134317964.db2.gz ZDOUNZNASIBYPZ-ZJUUUORDSA-N 1 1 230.308 -0.670 10 0 BBAEMO CC(C)(C)NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000179177335 534693012 /nfs/dbraw/zinc/69/30/12/534693012.db2.gz OCLKGEADYOOBRJ-RKDXNWHRSA-N 1 1 230.308 -0.671 10 0 BBAEMO CC(C)(C)NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000179177335 534693009 /nfs/dbraw/zinc/69/30/09/534693009.db2.gz OCLKGEADYOOBRJ-RKDXNWHRSA-N 1 1 230.308 -0.671 10 0 BBAEMO CC(C)(C)NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179177349 134318218 /nfs/dbraw/zinc/31/82/18/134318218.db2.gz OCLKGEADYOOBRJ-BDAKNGLRSA-N 1 1 230.308 -0.671 10 0 BBAEMO CC(C)(C)NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179177349 134318217 /nfs/dbraw/zinc/31/82/17/134318217.db2.gz OCLKGEADYOOBRJ-BDAKNGLRSA-N 1 1 230.308 -0.671 10 0 BBAEMO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)N1CCCCC1 ZINC000179177578 134318001 /nfs/dbraw/zinc/31/80/01/134318001.db2.gz YLGQBDJMTNCNQO-GHMZBOCLSA-N 1 1 242.319 -0.574 10 0 BBAEMO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)N1CCCCC1 ZINC000179177578 134318000 /nfs/dbraw/zinc/31/80/00/134318000.db2.gz YLGQBDJMTNCNQO-GHMZBOCLSA-N 1 1 242.319 -0.574 10 0 BBAEMO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)N1CCCCC1 ZINC000179177591 134317851 /nfs/dbraw/zinc/31/78/51/134317851.db2.gz YLGQBDJMTNCNQO-MNOVXSKESA-N 1 1 242.319 -0.574 10 0 BBAEMO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)N1CCCCC1 ZINC000179177591 134317850 /nfs/dbraw/zinc/31/78/50/134317850.db2.gz YLGQBDJMTNCNQO-MNOVXSKESA-N 1 1 242.319 -0.574 10 0 BBAEMO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)NC1CCCC1 ZINC000179179820 134318182 /nfs/dbraw/zinc/31/81/82/134318182.db2.gz WARDGPXZRBUHTK-GHMZBOCLSA-N 1 1 242.319 -0.527 10 0 BBAEMO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)NC1CCCC1 ZINC000179179820 134318181 /nfs/dbraw/zinc/31/81/81/134318181.db2.gz WARDGPXZRBUHTK-GHMZBOCLSA-N 1 1 242.319 -0.527 10 0 BBAEMO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)NC1CCCC1 ZINC000179179832 134318089 /nfs/dbraw/zinc/31/80/89/134318089.db2.gz WARDGPXZRBUHTK-MNOVXSKESA-N 1 1 242.319 -0.527 10 0 BBAEMO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)NC1CCCC1 ZINC000179179832 134318088 /nfs/dbraw/zinc/31/80/88/134318088.db2.gz WARDGPXZRBUHTK-MNOVXSKESA-N 1 1 242.319 -0.527 10 0 BBAEMO CC(C)OC(=O)CC[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000179180822 134318254 /nfs/dbraw/zinc/31/82/54/134318254.db2.gz DRBCROUYRRPXNC-NXEZZACHSA-N 1 1 231.292 -0.244 10 0 BBAEMO CC(C)OC(=O)CC[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179180834 346976195 /nfs/dbraw/zinc/97/61/95/346976195.db2.gz DRBCROUYRRPXNC-ZJUUUORDSA-N 1 1 231.292 -0.244 10 0 BBAEMO CCC(C)(C)NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000179183623 366219289 /nfs/dbraw/zinc/21/92/89/366219289.db2.gz HBUNRMSRRWMJIJ-NXEZZACHSA-N 1 1 244.335 -0.281 10 0 BBAEMO CCC(C)(C)NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000179183623 366219286 /nfs/dbraw/zinc/21/92/86/366219286.db2.gz HBUNRMSRRWMJIJ-NXEZZACHSA-N 1 1 244.335 -0.281 10 0 BBAEMO CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179183635 366219555 /nfs/dbraw/zinc/21/95/55/366219555.db2.gz HBUNRMSRRWMJIJ-ZJUUUORDSA-N 1 1 244.335 -0.281 10 0 BBAEMO CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179183635 366219552 /nfs/dbraw/zinc/21/95/52/366219552.db2.gz HBUNRMSRRWMJIJ-ZJUUUORDSA-N 1 1 244.335 -0.281 10 0 BBAEMO COC[C@@H](O)C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000180727384 384495612 /nfs/dbraw/zinc/49/56/12/384495612.db2.gz BNPKQEMPEBRSPW-MNOVXSKESA-N 1 1 240.307 -0.078 10 0 BBAEMO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CC(C)(C)O ZINC000181566419 134337735 /nfs/dbraw/zinc/33/77/35/134337735.db2.gz JIKHPGJUERXKQK-SFYZADRCSA-N 1 1 217.265 -0.635 10 0 BBAEMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CC(C)(C)O ZINC000181566419 134337734 /nfs/dbraw/zinc/33/77/34/134337734.db2.gz JIKHPGJUERXKQK-SFYZADRCSA-N 1 1 217.265 -0.635 10 0 BBAEMO C[C@H]([NH2+]Cc1nc(N)nc(N)n1)[C@@H]1CCCO1 ZINC000183121129 538965820 /nfs/dbraw/zinc/96/58/20/538965820.db2.gz WZCQBSPIQKEIMR-BQBZGAKWSA-N 1 1 238.295 -0.307 10 0 BBAEMO C[C@@H]([NH2+]Cc1nc(N)nc(N)n1)[C@@H]1CCCO1 ZINC000183121144 538965802 /nfs/dbraw/zinc/96/58/02/538965802.db2.gz WZCQBSPIQKEIMR-RQJHMYQMSA-N 1 1 238.295 -0.307 10 0 BBAEMO C[C@H]([NH2+]Cc1nc(N)nc(N)n1)[C@H]1CCCO1 ZINC000183121161 538965755 /nfs/dbraw/zinc/96/57/55/538965755.db2.gz WZCQBSPIQKEIMR-NKWVEPMBSA-N 1 1 238.295 -0.307 10 0 BBAEMO C[C@@H]([NH2+]Cc1nc(N)nc(N)n1)[C@H]1CCCO1 ZINC000183121173 538965830 /nfs/dbraw/zinc/96/58/30/538965830.db2.gz WZCQBSPIQKEIMR-RNFRBKRXSA-N 1 1 238.295 -0.307 10 0 BBAEMO CC[N@@H+](CCO)CCNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000183929913 385474559 /nfs/dbraw/zinc/47/45/59/385474559.db2.gz YPXJUSARBSONKX-QWRGUYRKSA-N 1 1 244.335 -0.016 10 0 BBAEMO CC[N@@H+](CCO)CCNC(=O)[C@H]1CC[C@H](C)O1 ZINC000183929933 388572597 /nfs/dbraw/zinc/57/25/97/388572597.db2.gz YPXJUSARBSONKX-WDEREUQCSA-N 1 1 244.335 -0.016 10 0 BBAEMO CC[N@@H+](CCO)CCNC(=O)[C@@H](C)COC ZINC000183978184 388573338 /nfs/dbraw/zinc/57/33/38/388573338.db2.gz NRNLRIRIEYQCGV-JTQLQIEISA-N 1 1 232.324 -0.301 10 0 BBAEMO CC[N@@H+](CCO)CCNC(=O)[C@H](C)COC ZINC000183978200 259377372 /nfs/dbraw/zinc/37/73/72/259377372.db2.gz NRNLRIRIEYQCGV-SNVBAGLBSA-N 1 1 232.324 -0.301 10 0 BBAEMO OC[C@H]1C[C@@H](O)C[N@H+]1CC1CCOCC1 ZINC000184006106 367060798 /nfs/dbraw/zinc/06/07/98/367060798.db2.gz AQRJSVPCAAERBO-GHMZBOCLSA-N 1 1 215.293 -0.160 10 0 BBAEMO OC[C@H]1C[C@H](O)C[N@H+]1CC1CCOCC1 ZINC000184006139 367060466 /nfs/dbraw/zinc/06/04/66/367060466.db2.gz AQRJSVPCAAERBO-MNOVXSKESA-N 1 1 215.293 -0.160 10 0 BBAEMO CC[N@@H+](CCO)CCNC(=O)N1CCOCC1 ZINC000184343147 643204053 /nfs/dbraw/zinc/20/40/53/643204053.db2.gz MGBRUBFVQBKDTR-UHFFFAOYSA-N 1 1 245.323 -0.658 10 0 BBAEMO CC(C)N1CC[C@H]([N@H+]2C[C@H](O)C[C@@H]2CO)C1=O ZINC000184724598 134368785 /nfs/dbraw/zinc/36/87/85/134368785.db2.gz BEJHCODJICNWJI-MXWKQRLJSA-N 1 1 242.319 -0.577 10 0 BBAEMO CCCNC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184725465 134369047 /nfs/dbraw/zinc/36/90/47/134369047.db2.gz NOGHRYZHFNCASL-IVZWLZJFSA-N 1 1 230.308 -0.671 10 0 BBAEMO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184729976 536164806 /nfs/dbraw/zinc/16/48/06/536164806.db2.gz IVQMMFMYVCPGCZ-UKKRHICBSA-N 1 1 244.335 -0.283 10 0 BBAEMO CCCCNC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184733092 134365841 /nfs/dbraw/zinc/36/58/41/134365841.db2.gz YCFBSTSKEBVKHZ-HBNTYKKESA-N 1 1 244.335 -0.281 10 0 BBAEMO C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184733763 347176578 /nfs/dbraw/zinc/17/65/78/347176578.db2.gz WKBALMYXNMBUQC-OPRDCNLKSA-N 1 1 244.335 -0.283 10 0 BBAEMO 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C[C@@H]1CCN(C(=O)[C@H]([NH3+])CC(N)=O)[C@H]1C ZINC000261539043 135177513 /nfs/dbraw/zinc/17/75/13/135177513.db2.gz BKRAJAHAJAKAQY-GJMOJQLCSA-N 1 1 213.281 -0.554 10 0 BBAEMO C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)[C@@H]1C ZINC000261539044 135177301 /nfs/dbraw/zinc/17/73/01/135177301.db2.gz BKRAJAHAJAKAQY-PRJMDXOYSA-N 1 1 213.281 -0.554 10 0 BBAEMO C[NH2+][C@H](C)CNC(=O)Cc1cc(C)n[nH]1 ZINC000261539995 536392689 /nfs/dbraw/zinc/39/26/89/536392689.db2.gz DLPZPJPFCOCMEU-MRVPVSSYSA-N 1 1 210.281 -0.015 10 0 BBAEMO C[NH2+][C@@H](C)CNC(=O)Cc1cc(C)n[nH]1 ZINC000261539996 536339354 /nfs/dbraw/zinc/33/93/54/536339354.db2.gz DLPZPJPFCOCMEU-QMMMGPOBSA-N 1 1 210.281 -0.015 10 0 BBAEMO C[C@@H]1CN(C(=O)C2C[NH2+]C2)[C@@H](C)CN1C ZINC000261540810 135179788 /nfs/dbraw/zinc/17/97/88/135179788.db2.gz FHBUPDIKAKLXEZ-BDAKNGLRSA-N 1 1 211.309 -0.243 10 0 BBAEMO C[C@@H]1CN(C)[C@@H](C)CN1C(=O)C1C[NH2+]C1 ZINC000261540811 135180123 /nfs/dbraw/zinc/18/01/23/135180123.db2.gz FHBUPDIKAKLXEZ-DTWKUNHWSA-N 1 1 211.309 -0.243 10 0 BBAEMO C[C@H]1CN(C(=O)C2C[NH2+]C2)[C@@H](C)CN1C ZINC000261540812 135179777 /nfs/dbraw/zinc/17/97/77/135179777.db2.gz FHBUPDIKAKLXEZ-IUCAKERBSA-N 1 1 211.309 -0.243 10 0 BBAEMO C[C@@H]1CN(C(=O)C2C[NH2+]C2)[C@H](C)CN1C ZINC000261540813 135180104 /nfs/dbraw/zinc/18/01/04/135180104.db2.gz FHBUPDIKAKLXEZ-RKDXNWHRSA-N 1 1 211.309 -0.243 10 0 BBAEMO CO[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CC(N)=O)C1(C)C ZINC000261541303 536795267 /nfs/dbraw/zinc/79/52/67/536795267.db2.gz JQCDIYGGEDZLES-BWZBUEFSSA-N 1 1 243.307 -0.881 10 0 BBAEMO CO[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CC(N)=O)C1(C)C ZINC000261541304 135181370 /nfs/dbraw/zinc/18/13/70/135181370.db2.gz JQCDIYGGEDZLES-GJMOJQLCSA-N 1 1 243.307 -0.881 10 0 BBAEMO CO[C@@H]1CN(C(=O)[C@H]2COCC[NH2+]2)CC[C@H]1C ZINC000261541321 135180680 /nfs/dbraw/zinc/18/06/80/135180680.db2.gz JUTJKNMXGGKRIL-GMTAPVOTSA-N 1 1 242.319 -0.142 10 0 BBAEMO CO[C@@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)CC[C@H]1C ZINC000261541322 536723336 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C[C@H]([NH3+])CC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000261802798 135254779 /nfs/dbraw/zinc/25/47/79/135254779.db2.gz LDSPAIVQLPEGJG-AXFHLTTASA-N 1 1 243.351 -0.363 10 0 BBAEMO C[C@H]([NH3+])CC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000261802800 135254154 /nfs/dbraw/zinc/25/41/54/135254154.db2.gz LDSPAIVQLPEGJG-DCAQKATOSA-N 1 1 243.351 -0.363 10 0 BBAEMO C[C@H]([NH3+])CC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000261802800 135254153 /nfs/dbraw/zinc/25/41/53/135254153.db2.gz LDSPAIVQLPEGJG-DCAQKATOSA-N 1 1 243.351 -0.363 10 0 BBAEMO C[C@@H](O)CN1CCN(C(=O)C[C@H](C)[NH3+])C[C@@H]1C ZINC000261802801 135254493 /nfs/dbraw/zinc/25/44/93/135254493.db2.gz LDSPAIVQLPEGJG-GARJFASQSA-N 1 1 243.351 -0.363 10 0 BBAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C[C@H](C)[NH3+])C[C@@H]1C ZINC000261802801 135254491 /nfs/dbraw/zinc/25/44/91/135254491.db2.gz LDSPAIVQLPEGJG-GARJFASQSA-N 1 1 243.351 -0.363 10 0 BBAEMO C[C@@H](O)CN1CCN(C(=O)C[C@H](C)[NH3+])C[C@H]1C ZINC000261802803 135254361 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C[C@@H]1CCN(C(=O)[C@H]2CNCCO2)[C@@H](C[NH3+])C1 ZINC000261884195 135259672 /nfs/dbraw/zinc/25/96/72/135259672.db2.gz ULEZAJOPSDKXGS-GMTAPVOTSA-N 1 1 241.335 -0.439 10 0 BBAEMO C[C@H]1CCN(C(=O)[C@H]2CNCCO2)[C@@H](C[NH3+])C1 ZINC000261884197 135260193 /nfs/dbraw/zinc/26/01/93/135260193.db2.gz ULEZAJOPSDKXGS-HBNTYKKESA-N 1 1 241.335 -0.439 10 0 BBAEMO C[C@@H]1CCN(C(=O)[C@@H]2CNCCO2)[C@@H](C[NH3+])C1 ZINC000261884199 135260066 /nfs/dbraw/zinc/26/00/66/135260066.db2.gz ULEZAJOPSDKXGS-MXWKQRLJSA-N 1 1 241.335 -0.439 10 0 BBAEMO CC[NH+]1CCN(C(=O)[C@H]2NCCO[C@@H]2C)CC1 ZINC000261894444 135261074 /nfs/dbraw/zinc/26/10/74/135261074.db2.gz GZFPAMWXKUGQHI-MNOVXSKESA-N 1 1 241.335 -0.473 10 0 BBAEMO CCN1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000261894444 135261072 /nfs/dbraw/zinc/26/10/72/135261072.db2.gz GZFPAMWXKUGQHI-MNOVXSKESA-N 1 1 241.335 -0.473 10 0 BBAEMO C[C@@H](O)CN1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261912054 135262224 /nfs/dbraw/zinc/26/22/24/135262224.db2.gz YLMWLEQCATXLLR-CHWSQXEVSA-N 1 1 241.379 -0.016 10 0 BBAEMO C[C@@H](O)CN1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261912057 135262798 /nfs/dbraw/zinc/26/27/98/135262798.db2.gz YLMWLEQCATXLLR-OLZOCXBDSA-N 1 1 241.379 -0.016 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCCOCC1 ZINC000261913342 135262273 /nfs/dbraw/zinc/26/22/73/135262273.db2.gz JJSNNVFUDBHGHL-ZJUUUORDSA-N 1 1 228.292 -0.388 10 0 BBAEMO COCCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261914445 135262619 /nfs/dbraw/zinc/26/26/19/135262619.db2.gz JNJFAOAAEMCTFL-SFYZADRCSA-N 1 1 202.254 -0.874 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC1CCOCC1 ZINC000261922104 135263298 /nfs/dbraw/zinc/26/32/98/135263298.db2.gz KMYJEWWOPZQBEF-KOLCDFICSA-N 1 1 242.319 -0.094 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1CCCOC1 ZINC000261925820 135263841 /nfs/dbraw/zinc/26/38/41/135263841.db2.gz LBWCIWARSWIWMX-MXWKQRLJSA-N 1 1 242.319 -0.094 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1CCCOC1 ZINC000261925829 135263262 /nfs/dbraw/zinc/26/32/62/135263262.db2.gz LBWCIWARSWIWMX-VWYCJHECSA-N 1 1 242.319 -0.094 10 0 BBAEMO Cc1cc(CNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)on1 ZINC000261926010 135263639 /nfs/dbraw/zinc/26/36/39/135263639.db2.gz LCVVLCRZJYVIPV-SCZZXKLOSA-N 1 1 239.275 -0.024 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CCCOC1 ZINC000261932146 135264149 /nfs/dbraw/zinc/26/41/49/135264149.db2.gz LSWBHMVRZWWNSG-BBBLOLIVSA-N 1 1 228.292 -0.342 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CCCOC1 ZINC000261932148 135264592 /nfs/dbraw/zinc/26/45/92/135264592.db2.gz LSWBHMVRZWWNSG-UTLUCORTSA-N 1 1 228.292 -0.342 10 0 BBAEMO CCOC(=O)CCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261938469 135264542 /nfs/dbraw/zinc/26/45/42/135264542.db2.gz MOQCDWMLHYFGHP-SCZZXKLOSA-N 1 1 244.291 -0.567 10 0 BBAEMO C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CCN1CCO ZINC000261942988 135264970 /nfs/dbraw/zinc/26/49/70/135264970.db2.gz MZRVXFPOKSEGCT-CHWSQXEVSA-N 1 1 241.379 -0.016 10 0 BBAEMO C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CCN1CCO ZINC000261942990 135265270 /nfs/dbraw/zinc/26/52/70/135265270.db2.gz MZRVXFPOKSEGCT-OLZOCXBDSA-N 1 1 241.379 -0.016 10 0 BBAEMO C[C@H]1CN(C[C@@H]2CCC[NH2+]C2)CCN1CCO ZINC000261942991 135264959 /nfs/dbraw/zinc/26/49/59/135264959.db2.gz MZRVXFPOKSEGCT-QWHCGFSZSA-N 1 1 241.379 -0.016 10 0 BBAEMO C[C@H]1CN(C[C@H]2CCC[NH2+]C2)CCN1CCO ZINC000261942993 135265232 /nfs/dbraw/zinc/26/52/32/135265232.db2.gz MZRVXFPOKSEGCT-STQMWFEESA-N 1 1 241.379 -0.016 10 0 BBAEMO CC[C@@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)C(=O)OC ZINC000261945242 135265178 /nfs/dbraw/zinc/26/51/78/135265178.db2.gz NLIMSUBSNYKFDD-HLTSFMKQSA-N 1 1 244.291 -0.569 10 0 BBAEMO CC[C@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)C(=O)OC ZINC000261945244 135265138 /nfs/dbraw/zinc/26/51/38/135265138.db2.gz NLIMSUBSNYKFDD-VGMNWLOBSA-N 1 1 244.291 -0.569 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1ccc(N)nc1 ZINC000261952242 711855602 /nfs/dbraw/zinc/85/56/02/711855602.db2.gz OMOJPGLMRGQLAN-XCBNKYQSSA-N 1 1 236.275 -0.021 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)C[C@H]1CCOC1 ZINC000261960162 135267193 /nfs/dbraw/zinc/26/71/93/135267193.db2.gz PNKQCNMPVKHGDH-MXWKQRLJSA-N 1 1 242.319 -0.142 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)C[C@@H]1CCOC1 ZINC000261960165 135267085 /nfs/dbraw/zinc/26/70/85/135267085.db2.gz PNKQCNMPVKHGDH-VWYCJHECSA-N 1 1 242.319 -0.142 10 0 BBAEMO COCCOCCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261962903 135267266 /nfs/dbraw/zinc/26/72/66/135267266.db2.gz PTEYYVOQYUELEL-ZJUUUORDSA-N 1 1 246.307 -0.858 10 0 BBAEMO CC(C)NC(=O)CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261968950 135268050 /nfs/dbraw/zinc/26/80/50/135268050.db2.gz QJWKXUZLRZHFJW-SCZZXKLOSA-N 1 1 243.307 -0.996 10 0 BBAEMO CCOC(=O)CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261974296 135268268 /nfs/dbraw/zinc/26/82/68/135268268.db2.gz QVNVVGTZLZOOOO-APPZFPTMSA-N 1 1 230.264 -0.957 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1CCOC1 ZINC000261987233 135269648 /nfs/dbraw/zinc/26/96/48/135269648.db2.gz SGGFUOXVQYMNOH-BBBLOLIVSA-N 1 1 228.292 -0.484 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1CCOC1 ZINC000261987235 135269618 /nfs/dbraw/zinc/26/96/18/135269618.db2.gz SGGFUOXVQYMNOH-UTLUCORTSA-N 1 1 228.292 -0.484 10 0 BBAEMO CCOCCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261988481 535622524 /nfs/dbraw/zinc/62/25/24/535622524.db2.gz SKFYAMZEMOAYRX-BDAKNGLRSA-N 1 1 216.281 -0.484 10 0 BBAEMO CCNC(=O)[C@@H](C)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261993961 135270369 /nfs/dbraw/zinc/27/03/69/135270369.db2.gz TUGMGKFQOSRBDU-HLTSFMKQSA-N 1 1 243.307 -0.996 10 0 BBAEMO CCNC(=O)[C@H](C)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261993962 535400889 /nfs/dbraw/zinc/40/08/89/535400889.db2.gz TUGMGKFQOSRBDU-YIZRAAEISA-N 1 1 243.307 -0.996 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCOCC1CC1 ZINC000262004365 135271121 /nfs/dbraw/zinc/27/11/21/135271121.db2.gz UXXVPWGBCOILQV-KOLCDFICSA-N 1 1 242.319 -0.094 10 0 BBAEMO C[C@@H](O)CN1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000262007662 135272450 /nfs/dbraw/zinc/27/24/50/135272450.db2.gz USBHUZFTTQQKAG-CHWSQXEVSA-N 1 1 241.379 -0.016 10 0 BBAEMO C[C@@H](O)CN1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000262007664 135271992 /nfs/dbraw/zinc/27/19/92/135271992.db2.gz USBHUZFTTQQKAG-OLZOCXBDSA-N 1 1 241.379 -0.016 10 0 BBAEMO C[C@H](O)CN1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000262007666 135272427 /nfs/dbraw/zinc/27/24/27/135272427.db2.gz USBHUZFTTQQKAG-QWHCGFSZSA-N 1 1 241.379 -0.016 10 0 BBAEMO C[C@H](O)CN1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000262007669 135272145 /nfs/dbraw/zinc/27/21/45/135272145.db2.gz USBHUZFTTQQKAG-STQMWFEESA-N 1 1 241.379 -0.016 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCSCC1 ZINC000262011555 135272318 /nfs/dbraw/zinc/27/23/18/135272318.db2.gz VOPQVFPUVQWENY-BDAKNGLRSA-N 1 1 230.333 -0.061 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1CCCO1 ZINC000262016076 135272924 /nfs/dbraw/zinc/27/29/24/135272924.db2.gz VZFKGFCRDFGRPS-BBBLOLIVSA-N 1 1 228.292 -0.342 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1CCCO1 ZINC000262016078 135273333 /nfs/dbraw/zinc/27/33/33/135273333.db2.gz VZFKGFCRDFGRPS-UTLUCORTSA-N 1 1 228.292 -0.342 10 0 BBAEMO COC(=O)CCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262017484 135272934 /nfs/dbraw/zinc/27/29/34/135272934.db2.gz WEBQVXQZQIVSER-APPZFPTMSA-N 1 1 230.264 -0.957 10 0 BBAEMO CCCNC(=O)CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262020844 135273153 /nfs/dbraw/zinc/27/31/53/135273153.db2.gz WNIKFMHRHMVUEO-SCZZXKLOSA-N 1 1 243.307 -0.994 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1CCC[C@H]1O ZINC000262041126 135274727 /nfs/dbraw/zinc/27/47/27/135274727.db2.gz YNKOTSUAYWMXTO-DBIOUOCHSA-N 1 1 242.319 -0.360 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000262041128 135274959 /nfs/dbraw/zinc/27/49/59/135274959.db2.gz YNKOTSUAYWMXTO-RCWTZXSCSA-N 1 1 242.319 -0.360 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1CCC[C@H]1O ZINC000262041130 135274664 /nfs/dbraw/zinc/27/46/64/135274664.db2.gz YNKOTSUAYWMXTO-YTWAJWBKSA-N 1 1 242.319 -0.360 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1CCC[C@@H]1O ZINC000262041132 135275096 /nfs/dbraw/zinc/27/50/96/135275096.db2.gz YNKOTSUAYWMXTO-ZNSHCXBVSA-N 1 1 242.319 -0.360 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1cnn(C)c1 ZINC000262042267 135275859 /nfs/dbraw/zinc/27/58/59/135275859.db2.gz YQASXBDHKAHAAH-SCZZXKLOSA-N 1 1 238.291 -0.587 10 0 BBAEMO COC(=O)[C@@H](C)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262044898 135275938 /nfs/dbraw/zinc/27/59/38/135275938.db2.gz YZKHAAANNKQYNI-PRJMDXOYSA-N 1 1 230.264 -0.959 10 0 BBAEMO COC(=O)[C@H](C)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262044901 536632498 /nfs/dbraw/zinc/63/24/98/536632498.db2.gz YZKHAAANNKQYNI-RNJXMRFFSA-N 1 1 230.264 -0.959 10 0 BBAEMO C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[C@@H](C)O1 ZINC000262046128 135275973 /nfs/dbraw/zinc/27/59/73/135275973.db2.gz ZCVKQJKPKAWCGR-DBIOUOCHSA-N 1 1 242.319 -0.001 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000262046129 135275892 /nfs/dbraw/zinc/27/58/92/135275892.db2.gz ZCVKQJKPKAWCGR-MMWGEVLESA-N 1 1 242.319 -0.001 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)[C@@H]1CCOC1 ZINC000262048878 135276124 /nfs/dbraw/zinc/27/61/24/135276124.db2.gz HDVCUTXQCZEELY-BBBLOLIVSA-N 1 1 228.292 -0.389 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)[C@H]1CCOC1 ZINC000262048882 135275895 /nfs/dbraw/zinc/27/58/95/135275895.db2.gz HDVCUTXQCZEELY-UTLUCORTSA-N 1 1 228.292 -0.389 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1ccnn1C ZINC000262049862 135114410 /nfs/dbraw/zinc/11/44/10/135114410.db2.gz ZNPNVTQBIDIUAI-SCZZXKLOSA-N 1 1 238.291 -0.587 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCO[C@@H](C)C1 ZINC000262051273 135276341 /nfs/dbraw/zinc/27/63/41/135276341.db2.gz ZQBVILGZMNGAFU-AEJSXWLSSA-N 1 1 228.292 -0.389 10 0 BBAEMO C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CCO1 ZINC000262051275 135275899 /nfs/dbraw/zinc/27/58/99/135275899.db2.gz ZQBVILGZMNGAFU-BBBLOLIVSA-N 1 1 228.292 -0.389 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)Cc1cc[nH]n1 ZINC000262072716 135277592 /nfs/dbraw/zinc/27/75/92/135277592.db2.gz BTXJQTCCEYTSPT-SCZZXKLOSA-N 1 1 238.291 -0.255 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000262086016 135277820 /nfs/dbraw/zinc/27/78/20/135277820.db2.gz CQTMGUFHTJFUEX-APLZJWDSSA-N 1 1 240.303 -0.201 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1ncc[nH]1 ZINC000262103794 135278306 /nfs/dbraw/zinc/27/83/06/135278306.db2.gz DZDSULWACQGBFJ-APPZFPTMSA-N 1 1 224.264 -0.597 10 0 BBAEMO C[C@H]1OCCN[C@@H]1C(=O)NCC[N@@H+](C)C1CC1 ZINC000262109024 135279253 /nfs/dbraw/zinc/27/92/53/135279253.db2.gz FEPPQYFAERPGAI-KOLCDFICSA-N 1 1 241.335 -0.426 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@]1(C)CCOC1 ZINC000262121183 135280448 /nfs/dbraw/zinc/28/04/48/135280448.db2.gz FWHQOBSWDFMGMJ-JFGNBEQYSA-N 1 1 242.319 -0.094 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@]1(C)CCOC1 ZINC000262121188 135280895 /nfs/dbraw/zinc/28/08/95/135280895.db2.gz FWHQOBSWDFMGMJ-SCVCMEIPSA-N 1 1 242.319 -0.094 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN(C)CC1 ZINC000262134965 135281122 /nfs/dbraw/zinc/28/11/22/135281122.db2.gz GSPXNGZCAVYAAR-ZJUUUORDSA-N 1 1 227.308 -0.863 10 0 BBAEMO COC(C)(C)CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262138892 135281575 /nfs/dbraw/zinc/28/15/75/135281575.db2.gz HARCZWXVZNTSLM-BDAKNGLRSA-N 1 1 230.308 -0.096 10 0 BBAEMO COC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000262162694 135283209 /nfs/dbraw/zinc/28/32/09/135283209.db2.gz ACMXBMFYFXAAOX-AXFHLTTASA-N 1 1 243.351 -0.099 10 0 BBAEMO COC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000262162694 135283208 /nfs/dbraw/zinc/28/32/08/135283208.db2.gz ACMXBMFYFXAAOX-AXFHLTTASA-N 1 1 243.351 -0.099 10 0 BBAEMO COC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000262162715 135282899 /nfs/dbraw/zinc/28/28/99/135282899.db2.gz ACMXBMFYFXAAOX-DCAQKATOSA-N 1 1 243.351 -0.099 10 0 BBAEMO COC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000262162715 135282898 /nfs/dbraw/zinc/28/28/98/135282898.db2.gz 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VPKFMQGFKXLCEP-MNOVXSKESA-N 1 1 241.335 -0.473 10 0 BBAEMO C[C@@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)c1nc[nH]n1 ZINC000262367001 135297734 /nfs/dbraw/zinc/29/77/34/135297734.db2.gz VUCBYLJOGKGYMI-PRJMDXOYSA-N 1 1 239.279 -0.641 10 0 BBAEMO C[C@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)c1nc[nH]n1 ZINC000262367003 135297975 /nfs/dbraw/zinc/29/79/75/135297975.db2.gz VUCBYLJOGKGYMI-RNJXMRFFSA-N 1 1 239.279 -0.641 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCc1ncc[nH]1 ZINC000262374025 135298115 /nfs/dbraw/zinc/29/81/15/135298115.db2.gz WLALLQMHRWBKIR-SCZZXKLOSA-N 1 1 238.291 -0.555 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1nccn1C ZINC000262382229 135297420 /nfs/dbraw/zinc/29/74/20/135297420.db2.gz XCGIQITZTZHRSO-SCZZXKLOSA-N 1 1 238.291 -0.587 10 0 BBAEMO COC[C@@H]([NH3+])C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000262383107 536668132 /nfs/dbraw/zinc/66/81/32/536668132.db2.gz YDIUTNGHKMCJFU-GMSGAONNSA-N 1 1 240.307 -0.261 10 0 BBAEMO COC[C@@H]([NH3+])C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000262383121 536665689 /nfs/dbraw/zinc/66/56/89/536665689.db2.gz YDIUTNGHKMCJFU-OIBJUYFYSA-N 1 1 240.307 -0.261 10 0 BBAEMO COC[C@H]([NH3+])C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000262383134 135297519 /nfs/dbraw/zinc/29/75/19/135297519.db2.gz YDIUTNGHKMCJFU-XCBNKYQSSA-N 1 1 240.307 -0.261 10 0 BBAEMO COC[C@H]([NH3+])C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000262383149 135297658 /nfs/dbraw/zinc/29/76/58/135297658.db2.gz YDIUTNGHKMCJFU-XVKPBYJWSA-N 1 1 240.307 -0.261 10 0 BBAEMO C[C@H]1OCC[C@@H]1NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262392865 135298435 /nfs/dbraw/zinc/29/84/35/135298435.db2.gz YATCCFWFOJCWQP-IMSYWVGJSA-N 1 1 228.292 -0.343 10 0 BBAEMO C[C@@H]1OCC[C@H]1NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262392866 135298767 /nfs/dbraw/zinc/29/87/67/135298767.db2.gz YATCCFWFOJCWQP-JLIMGVALSA-N 1 1 228.292 -0.343 10 0 BBAEMO C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262392867 135298390 /nfs/dbraw/zinc/29/83/90/135298390.db2.gz YATCCFWFOJCWQP-JXUBOQSCSA-N 1 1 228.292 -0.343 10 0 BBAEMO C[C@H]1OCC[C@H]1NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262392868 135298194 /nfs/dbraw/zinc/29/81/94/135298194.db2.gz YATCCFWFOJCWQP-KYXWUPHJSA-N 1 1 228.292 -0.343 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC(F)F ZINC000262397154 135298326 /nfs/dbraw/zinc/29/83/26/135298326.db2.gz YITGNDVBKPKMHR-VDTYLAMSSA-N 1 1 208.208 -0.255 10 0 BBAEMO COC[C@@H]1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000262407550 536771238 /nfs/dbraw/zinc/77/12/38/536771238.db2.gz YZGKYHSLWUMHNM-MXWKQRLJSA-N 1 1 242.319 -0.142 10 0 BBAEMO COC[C@H]1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000262407558 135295100 /nfs/dbraw/zinc/29/51/00/135295100.db2.gz YZGKYHSLWUMHNM-VWYCJHECSA-N 1 1 242.319 -0.142 10 0 BBAEMO COC[C@@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)C1CC1 ZINC000262416075 536712276 /nfs/dbraw/zinc/71/22/76/536712276.db2.gz ZRHOYZOUTLFKJL-IEBDPFPHSA-N 1 1 242.319 -0.096 10 0 BBAEMO COC[C@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)C1CC1 ZINC000262416078 135296041 /nfs/dbraw/zinc/29/60/41/135296041.db2.gz ZRHOYZOUTLFKJL-MIMYLULJSA-N 1 1 242.319 -0.096 10 0 BBAEMO COC[C@@H](N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000262419979 536661666 /nfs/dbraw/zinc/66/16/66/536661666.db2.gz RQNVPTCYPAFXOD-NXEZZACHSA-N 1 1 229.324 -0.584 10 0 BBAEMO COC[C@H](N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000262419983 536863863 /nfs/dbraw/zinc/86/38/63/536863863.db2.gz RQNVPTCYPAFXOD-UWVGGRQHSA-N 1 1 229.324 -0.584 10 0 BBAEMO COC[C@H](N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000262419986 135295915 /nfs/dbraw/zinc/29/59/15/135295915.db2.gz RQNVPTCYPAFXOD-VHSXEESVSA-N 1 1 229.324 -0.584 10 0 BBAEMO COC[C@@H](N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000262419987 135296317 /nfs/dbraw/zinc/29/63/17/135296317.db2.gz RQNVPTCYPAFXOD-ZJUUUORDSA-N 1 1 229.324 -0.584 10 0 BBAEMO C[NH2+]CCC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000262448891 135299310 /nfs/dbraw/zinc/29/93/10/135299310.db2.gz VQDZLHDWEZKXGE-GHMZBOCLSA-N 1 1 243.351 -0.491 10 0 BBAEMO C[NH2+]CCC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000262448893 135299208 /nfs/dbraw/zinc/29/92/08/135299208.db2.gz VQDZLHDWEZKXGE-MNOVXSKESA-N 1 1 243.351 -0.491 10 0 BBAEMO C[NH2+]CCC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000262448896 135299237 /nfs/dbraw/zinc/29/92/37/135299237.db2.gz VQDZLHDWEZKXGE-QWRGUYRKSA-N 1 1 243.351 -0.491 10 0 BBAEMO C[NH2+]CCC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000262448898 135299218 /nfs/dbraw/zinc/29/92/18/135299218.db2.gz VQDZLHDWEZKXGE-WDEREUQCSA-N 1 1 243.351 -0.491 10 0 BBAEMO COC[C@@H](N)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000262454406 135300239 /nfs/dbraw/zinc/30/02/39/135300239.db2.gz WHQDRTWTQMAWMX-GHMZBOCLSA-N 1 1 243.351 -0.240 10 0 BBAEMO COC[C@@H](N)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000262454406 135300238 /nfs/dbraw/zinc/30/02/38/135300238.db2.gz WHQDRTWTQMAWMX-GHMZBOCLSA-N 1 1 243.351 -0.240 10 0 BBAEMO COC[C@H](N)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000262454408 135300037 /nfs/dbraw/zinc/30/00/37/135300037.db2.gz WHQDRTWTQMAWMX-MNOVXSKESA-N 1 1 243.351 -0.240 10 0 BBAEMO COC[C@H](N)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000262454408 135300035 /nfs/dbraw/zinc/30/00/35/135300035.db2.gz WHQDRTWTQMAWMX-MNOVXSKESA-N 1 1 243.351 -0.240 10 0 BBAEMO COC[C@H](N)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000262454410 135300147 /nfs/dbraw/zinc/30/01/47/135300147.db2.gz WHQDRTWTQMAWMX-QWRGUYRKSA-N 1 1 243.351 -0.240 10 0 BBAEMO COC[C@H](N)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000262454410 135300146 /nfs/dbraw/zinc/30/01/46/135300146.db2.gz WHQDRTWTQMAWMX-QWRGUYRKSA-N 1 1 243.351 -0.240 10 0 BBAEMO COC[C@@H](N)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000262454412 135300526 /nfs/dbraw/zinc/30/05/26/135300526.db2.gz WHQDRTWTQMAWMX-WDEREUQCSA-N 1 1 243.351 -0.240 10 0 BBAEMO COC[C@@H](N)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000262454412 135300525 /nfs/dbraw/zinc/30/05/25/135300525.db2.gz WHQDRTWTQMAWMX-WDEREUQCSA-N 1 1 243.351 -0.240 10 0 BBAEMO COC[C@@H](N)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000262457210 536661684 /nfs/dbraw/zinc/66/16/84/536661684.db2.gz WPVAKZLSGIYDDP-NXEZZACHSA-N 1 1 243.351 -0.146 10 0 BBAEMO COC[C@H](N)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000262457212 135300215 /nfs/dbraw/zinc/30/02/15/135300215.db2.gz WPVAKZLSGIYDDP-UWVGGRQHSA-N 1 1 243.351 -0.146 10 0 BBAEMO COC[C@H](N)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000262457213 135300491 /nfs/dbraw/zinc/30/04/91/135300491.db2.gz WPVAKZLSGIYDDP-VHSXEESVSA-N 1 1 243.351 -0.146 10 0 BBAEMO COC[C@@H](N)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000262457214 135300333 /nfs/dbraw/zinc/30/03/33/135300333.db2.gz WPVAKZLSGIYDDP-ZJUUUORDSA-N 1 1 243.351 -0.146 10 0 BBAEMO CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H](N)COC ZINC000262470667 135301274 /nfs/dbraw/zinc/30/12/74/135301274.db2.gz YIWMLATXVSNDMF-NXEZZACHSA-N 1 1 229.324 -0.439 10 0 BBAEMO CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H](N)COC ZINC000262470670 535744188 /nfs/dbraw/zinc/74/41/88/535744188.db2.gz YIWMLATXVSNDMF-UWVGGRQHSA-N 1 1 229.324 -0.439 10 0 BBAEMO CCC[C@H]1C[NH2+]CCN1C(=O)[C@H](N)COC ZINC000262470671 135301219 /nfs/dbraw/zinc/30/12/19/135301219.db2.gz YIWMLATXVSNDMF-VHSXEESVSA-N 1 1 229.324 -0.439 10 0 BBAEMO CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](N)COC ZINC000262470674 135301312 /nfs/dbraw/zinc/30/13/12/135301312.db2.gz YIWMLATXVSNDMF-ZJUUUORDSA-N 1 1 229.324 -0.439 10 0 BBAEMO COC(=O)C(C)(C)CCNC[C@@H]1C[NH2+]C[C@H]1O ZINC000263149366 135335488 /nfs/dbraw/zinc/33/54/88/135335488.db2.gz CYYBUKZJJHZJRF-NXEZZACHSA-N 1 1 244.335 -0.254 10 0 BBAEMO COC(=O)C(C)(C)CCNC[C@H]1C[NH2+]C[C@@H]1O ZINC000263149367 135335345 /nfs/dbraw/zinc/33/53/45/135335345.db2.gz CYYBUKZJJHZJRF-UWVGGRQHSA-N 1 1 244.335 -0.254 10 0 BBAEMO COC(=O)C(C)(C)CCNC[C@H]1C[NH2+]C[C@H]1O ZINC000263149368 135335797 /nfs/dbraw/zinc/33/57/97/135335797.db2.gz CYYBUKZJJHZJRF-VHSXEESVSA-N 1 1 244.335 -0.254 10 0 BBAEMO COC(=O)C(C)(C)CCNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000263149370 135335661 /nfs/dbraw/zinc/33/56/61/135335661.db2.gz CYYBUKZJJHZJRF-ZJUUUORDSA-N 1 1 244.335 -0.254 10 0 BBAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](CCn2cccn2)C1 ZINC000284615207 388830370 /nfs/dbraw/zinc/83/03/70/388830370.db2.gz MNOPRCPZDIBUKQ-WDEREUQCSA-N 1 1 225.292 -0.035 10 0 BBAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](CCn2ccnc2)C1 ZINC000284639337 387208687 /nfs/dbraw/zinc/20/86/87/387208687.db2.gz ONVZKEYAVNUTNN-WDEREUQCSA-N 1 1 225.292 -0.035 10 0 BBAEMO NC(=O)[C@@]1(O)CCC[N@@H+](Cc2ccccn2)C1 ZINC000284825825 181275354 /nfs/dbraw/zinc/27/53/54/181275354.db2.gz MFBGQFHDLLHKHG-GFCCVEGCSA-N 1 1 235.287 -0.106 10 0 BBAEMO NC(=O)[C@]1(O)CCC[N@@H+](Cc2ccccn2)C1 ZINC000284825827 181284970 /nfs/dbraw/zinc/28/49/70/181284970.db2.gz MFBGQFHDLLHKHG-LBPRGKRZSA-N 1 1 235.287 -0.106 10 0 BBAEMO NC(=O)[C@@]1(O)CCC[N@@H+](Cc2ccncc2)C1 ZINC000284973415 181275222 /nfs/dbraw/zinc/27/52/22/181275222.db2.gz XDHFYJARIKFBGI-GFCCVEGCSA-N 1 1 235.287 -0.106 10 0 BBAEMO NC(=O)[C@]1(O)CCC[N@@H+](Cc2ccncc2)C1 ZINC000284973420 181284752 /nfs/dbraw/zinc/28/47/52/181284752.db2.gz XDHFYJARIKFBGI-LBPRGKRZSA-N 1 1 235.287 -0.106 10 0 BBAEMO NC(=O)[C@@]1(O)CCC[N@@H+](CCc2cccnc2)C1 ZINC000286032981 181275209 /nfs/dbraw/zinc/27/52/09/181275209.db2.gz DHVVLQNCFMMMHE-CYBMUJFWSA-N 1 1 249.314 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357049540 /nfs/dbraw/zinc/04/95/40/357049540.db2.gz IPHJTMCESFZLTN-RQJHMYQMSA-N 1 1 209.253 -0.468 10 0 BBAEMO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ncn[nH]1 ZINC000389833038 357049535 /nfs/dbraw/zinc/04/95/35/357049535.db2.gz IPHJTMCESFZLTN-RQJHMYQMSA-N 1 1 209.253 -0.468 10 0 BBAEMO CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2COCCN2)C1 ZINC000389839036 488117818 /nfs/dbraw/zinc/11/78/18/488117818.db2.gz YHAKUOUJADYICV-GHMZBOCLSA-N 1 1 241.335 -0.425 10 0 BBAEMO CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2COCCN2)C1 ZINC000389839037 488118010 /nfs/dbraw/zinc/11/80/10/488118010.db2.gz YHAKUOUJADYICV-MNOVXSKESA-N 1 1 241.335 -0.425 10 0 BBAEMO CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2COCCN2)C1 ZINC000389839038 488118074 /nfs/dbraw/zinc/11/80/74/488118074.db2.gz YHAKUOUJADYICV-QWRGUYRKSA-N 1 1 241.335 -0.425 10 0 BBAEMO CCC[N@H+]1CC[C@H](NC(=O)[C@H]2COCCN2)C1 ZINC000389839039 488117710 /nfs/dbraw/zinc/11/77/10/488117710.db2.gz YHAKUOUJADYICV-WDEREUQCSA-N 1 1 241.335 -0.425 10 0 BBAEMO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1nc[nH]n1 ZINC000389854229 357055411 /nfs/dbraw/zinc/05/54/11/357055411.db2.gz VNCIRYWESKTVDP-SSDOTTSWSA-N 1 1 223.280 -0.077 10 0 BBAEMO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ncn[nH]1 ZINC000389854229 357055409 /nfs/dbraw/zinc/05/54/09/357055409.db2.gz VNCIRYWESKTVDP-SSDOTTSWSA-N 1 1 223.280 -0.077 10 0 BBAEMO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1nc[nH]n1 ZINC000389854230 357055389 /nfs/dbraw/zinc/05/53/89/357055389.db2.gz VNCIRYWESKTVDP-ZETCQYMHSA-N 1 1 223.280 -0.077 10 0 BBAEMO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ncn[nH]1 ZINC000389854230 357055385 /nfs/dbraw/zinc/05/53/85/357055385.db2.gz VNCIRYWESKTVDP-ZETCQYMHSA-N 1 1 223.280 -0.077 10 0 BBAEMO COC[C@@H](N)C(=O)NC1(C[NH3+])CCCC1 ZINC000390434881 371201777 /nfs/dbraw/zinc/20/17/77/371201777.db2.gz BLYJNKMTLPDXRF-MRVPVSSYSA-N 1 1 215.297 -0.652 10 0 BBAEMO COC[C@@H](N)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000390482793 357095427 /nfs/dbraw/zinc/09/54/27/357095427.db2.gz NKOSSTVINOWDRJ-HRDYMLBCSA-N 1 1 215.297 -0.831 10 0 BBAEMO CCCC[C@@H](C[NH3+])NC(=O)[C@H](N)COC ZINC000390504665 371209122 /nfs/dbraw/zinc/20/91/22/371209122.db2.gz WKVFBBLUKTZWRF-DTWKUNHWSA-N 1 1 217.313 -0.406 10 0 BBAEMO CCCC[C@H](C[NH3+])NC(=O)[C@H](N)COC ZINC000390504668 371208891 /nfs/dbraw/zinc/20/88/91/371208891.db2.gz WKVFBBLUKTZWRF-RKDXNWHRSA-N 1 1 217.313 -0.406 10 0 BBAEMO COC[C@H](N)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000390525369 411074780 /nfs/dbraw/zinc/07/47/80/411074780.db2.gz GNIMDQNENVNTRG-CIUDSAMLSA-N 1 1 215.297 -0.796 10 0 BBAEMO COC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000390525370 411074765 /nfs/dbraw/zinc/07/47/65/411074765.db2.gz GNIMDQNENVNTRG-HRDYMLBCSA-N 1 1 215.297 -0.796 10 0 BBAEMO COC[C@H](N)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000390525372 411074792 /nfs/dbraw/zinc/07/47/92/411074792.db2.gz GNIMDQNENVNTRG-VGMNWLOBSA-N 1 1 215.297 -0.796 10 0 BBAEMO COC[C@H](N)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000390525375 411074809 /nfs/dbraw/zinc/07/48/09/411074809.db2.gz GNIMDQNENVNTRG-XHNCKOQMSA-N 1 1 215.297 -0.796 10 0 BBAEMO COC[C@@H](N)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000390602170 357111836 /nfs/dbraw/zinc/11/18/36/357111836.db2.gz BNMJYJCJUOYXAT-PSASIEDQSA-N 1 1 215.297 -0.796 10 0 BBAEMO COC[C@@H](N)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000390602171 357111742 /nfs/dbraw/zinc/11/17/42/357111742.db2.gz BNMJYJCJUOYXAT-SCZZXKLOSA-N 1 1 215.297 -0.796 10 0 BBAEMO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ncc[nH]2)C1 ZINC000390602206 346144296 /nfs/dbraw/zinc/14/42/96/346144296.db2.gz WGKZNFFNQIIOQQ-MRVPVSSYSA-N 1 1 244.320 -0.266 10 0 BBAEMO OCC[N@H+]1CCC[C@@H](NCc2cc[nH]n2)C1 ZINC000390747112 362947083 /nfs/dbraw/zinc/94/70/83/362947083.db2.gz ARXKUVRAYBVLNQ-LLVKDONJSA-N 1 1 224.308 -0.044 10 0 BBAEMO OCC[N@@H+]1CCC[C@@H](NCc2cc[nH]n2)C1 ZINC000390747112 362947077 /nfs/dbraw/zinc/94/70/77/362947077.db2.gz ARXKUVRAYBVLNQ-LLVKDONJSA-N 1 1 224.308 -0.044 10 0 BBAEMO OCC[N@H+]1CCC[C@H](NCc2cc[nH]n2)C1 ZINC000390747113 362946549 /nfs/dbraw/zinc/94/65/49/362946549.db2.gz ARXKUVRAYBVLNQ-NSHDSACASA-N 1 1 224.308 -0.044 10 0 BBAEMO OCC[N@@H+]1CCC[C@H](NCc2cc[nH]n2)C1 ZINC000390747113 362946543 /nfs/dbraw/zinc/94/65/43/362946543.db2.gz ARXKUVRAYBVLNQ-NSHDSACASA-N 1 1 224.308 -0.044 10 0 BBAEMO O=C(NCCN1CC=CCC1)[C@@H]1CC[NH2+]C1 ZINC000392882777 357261105 /nfs/dbraw/zinc/26/11/05/357261105.db2.gz JOCOPJHBNXAHOO-LLVKDONJSA-N 1 1 223.320 -0.026 10 0 BBAEMO O=C(NCCN1CC=CCC1)[C@H]1CC[NH2+]C1 ZINC000392882778 357260734 /nfs/dbraw/zinc/26/07/34/357260734.db2.gz JOCOPJHBNXAHOO-NSHDSACASA-N 1 1 223.320 -0.026 10 0 BBAEMO CC[N@@H+](C)C[C@H](O)CN[C@H]1CCC(=O)N[C@H]1C ZINC000392927621 387816081 /nfs/dbraw/zinc/81/60/81/387816081.db2.gz NACGRDLTKOXEOX-AXFHLTTASA-N 1 1 243.351 -0.444 10 0 BBAEMO CC[N@H+](C)C[C@H](O)CN[C@H]1CCC(=O)N[C@H]1C ZINC000392927621 387816079 /nfs/dbraw/zinc/81/60/79/387816079.db2.gz NACGRDLTKOXEOX-AXFHLTTASA-N 1 1 243.351 -0.444 10 0 BBAEMO CCN(C)C[C@H](O)C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000392927621 387816075 /nfs/dbraw/zinc/81/60/75/387816075.db2.gz NACGRDLTKOXEOX-AXFHLTTASA-N 1 1 243.351 -0.444 10 0 BBAEMO CC[N@@H+](C)C[C@H](O)CN[C@@H]1CCC(=O)N[C@@H]1C ZINC000392927624 387815749 /nfs/dbraw/zinc/81/57/49/387815749.db2.gz NACGRDLTKOXEOX-GMTAPVOTSA-N 1 1 243.351 -0.444 10 0 BBAEMO CC[N@H+](C)C[C@H](O)CN[C@@H]1CCC(=O)N[C@@H]1C ZINC000392927624 387815745 /nfs/dbraw/zinc/81/57/45/387815745.db2.gz NACGRDLTKOXEOX-GMTAPVOTSA-N 1 1 243.351 -0.444 10 0 BBAEMO CCN(C)C[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000392927624 387815740 /nfs/dbraw/zinc/81/57/40/387815740.db2.gz NACGRDLTKOXEOX-GMTAPVOTSA-N 1 1 243.351 -0.444 10 0 BBAEMO CC[N@@H+](C)C[C@H](O)CN[C@@H]1CCC(=O)N[C@H]1C ZINC000392927626 387816166 /nfs/dbraw/zinc/81/61/66/387816166.db2.gz NACGRDLTKOXEOX-HBNTYKKESA-N 1 1 243.351 -0.444 10 0 BBAEMO CC[N@H+](C)C[C@H](O)CN[C@@H]1CCC(=O)N[C@H]1C ZINC000392927626 387816161 /nfs/dbraw/zinc/81/61/61/387816161.db2.gz NACGRDLTKOXEOX-HBNTYKKESA-N 1 1 243.351 -0.444 10 0 BBAEMO CCN(C)C[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000392927626 387816158 /nfs/dbraw/zinc/81/61/58/387816158.db2.gz 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CO[C@H]1C[C@@H](CO)[N@@H+](CC(=O)N2CCC2)C1 ZINC000393768783 386975820 /nfs/dbraw/zinc/97/58/20/386975820.db2.gz DKEFNXACKHLRQU-UWVGGRQHSA-N 1 1 228.292 -0.700 10 0 BBAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](CC(=O)N2CCC2)C1 ZINC000393768785 386974343 /nfs/dbraw/zinc/97/43/43/386974343.db2.gz DKEFNXACKHLRQU-VHSXEESVSA-N 1 1 228.292 -0.700 10 0 BBAEMO C[C@@H]([NH3+])CCNC(=O)C[C@H]1COCCN1 ZINC000393770025 357297856 /nfs/dbraw/zinc/29/78/56/357297856.db2.gz SCAPDDXHCIERDR-BDAKNGLRSA-N 1 1 215.297 -0.782 10 0 BBAEMO C[C@@H]([NH3+])CCNC(=O)C[C@@H]1COCCN1 ZINC000393770030 357297493 /nfs/dbraw/zinc/29/74/93/357297493.db2.gz SCAPDDXHCIERDR-RKDXNWHRSA-N 1 1 215.297 -0.782 10 0 BBAEMO CC(C)[N@@H+](CCOCCO)C[C@@H]1CNC(=O)O1 ZINC000393873703 388445460 /nfs/dbraw/zinc/44/54/60/388445460.db2.gz BZNDQCPHJJOPFX-JTQLQIEISA-N 1 1 246.307 -0.186 10 0 BBAEMO CC(C)[N@@H+](CCOCCO)C[C@H]1CNC(=O)O1 ZINC000393873704 388444777 /nfs/dbraw/zinc/44/47/77/388444777.db2.gz BZNDQCPHJJOPFX-SNVBAGLBSA-N 1 1 246.307 -0.186 10 0 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/nfs/dbraw/zinc/89/53/22/357895322.db2.gz UQHMQJRADRLAEW-UHFFFAOYSA-N 1 1 238.291 -0.750 10 0 BBAEMO CN(CC[S@@](C)=O)CC(F)(F)C[NH3+] ZINC000399085862 583169726 /nfs/dbraw/zinc/16/97/26/583169726.db2.gz MUOMEOSGQHCIFL-CYBMUJFWSA-N 1 1 214.281 -0.109 10 0 BBAEMO CN(CC[S@](C)=O)CC(F)(F)C[NH3+] ZINC000399085864 583170032 /nfs/dbraw/zinc/17/00/32/583170032.db2.gz MUOMEOSGQHCIFL-ZDUSSCGKSA-N 1 1 214.281 -0.109 10 0 BBAEMO CC[NH2+]CCNc1ccncc1C(N)=O ZINC000399128904 357896538 /nfs/dbraw/zinc/89/65/38/357896538.db2.gz LYMNUGHHCKPALO-UHFFFAOYSA-N 1 1 208.265 -0.376 10 0 BBAEMO NC(=O)c1cnccc1N[C@@H]1CC[NH2+]C1 ZINC000399133518 367646060 /nfs/dbraw/zinc/64/60/60/367646060.db2.gz PCGBYFJFHKGSDL-SSDOTTSWSA-N 1 1 206.249 -0.624 10 0 BBAEMO NC(=O)c1cnccc1N[C@H]1CC[NH2+]C1 ZINC000399133519 357896567 /nfs/dbraw/zinc/89/65/67/357896567.db2.gz PCGBYFJFHKGSDL-ZETCQYMHSA-N 1 1 206.249 -0.624 10 0 BBAEMO C[C@H](CC[NH3+])Nc1ccncc1C(N)=O ZINC000399155685 357896781 /nfs/dbraw/zinc/89/67/81/357896781.db2.gz BHRFJLPEMKXZIU-SSDOTTSWSA-N 1 1 208.265 -0.248 10 0 BBAEMO C[C@@H](CC[NH3+])Nc1ccncc1C(N)=O ZINC000399155686 357896872 /nfs/dbraw/zinc/89/68/72/357896872.db2.gz BHRFJLPEMKXZIU-ZETCQYMHSA-N 1 1 208.265 -0.248 10 0 BBAEMO NC(=O)c1cnccc1NCC[NH2+]C1CC1 ZINC000399163108 411022685 /nfs/dbraw/zinc/02/26/85/411022685.db2.gz DCPWXVYYSWAJJN-UHFFFAOYSA-N 1 1 220.276 -0.234 10 0 BBAEMO CC(C)([NH3+])CNc1ccncc1C(N)=O ZINC000399163245 355843906 /nfs/dbraw/zinc/84/39/06/355843906.db2.gz DIFPHJCTQPNCBC-UHFFFAOYSA-N 1 1 208.265 -0.248 10 0 BBAEMO NC(=O)c1cnccc1NC1CC[NH2+]CC1 ZINC000399171604 367849468 /nfs/dbraw/zinc/84/94/68/367849468.db2.gz GMDGVJBHYZBESB-UHFFFAOYSA-N 1 1 220.276 -0.234 10 0 BBAEMO NC(=O)c1cnccc1NCC1([NH3+])CCC1 ZINC000399179594 357897671 /nfs/dbraw/zinc/89/76/71/357897671.db2.gz IVEHNMYJJJPTEL-UHFFFAOYSA-N 1 1 220.276 -0.104 10 0 BBAEMO C[C@H]1CC[C@@H](O)C[N@H+]1CCN1C(=O)CNC1=O ZINC000399205749 488226899 /nfs/dbraw/zinc/22/68/99/488226899.db2.gz ARHUGVABCCKLBV-DTWKUNHWSA-N 1 1 241.291 -0.617 10 0 BBAEMO C[C@H]1CC[C@H](O)C[N@H+]1CCN1C(=O)CNC1=O ZINC000399205753 488226762 /nfs/dbraw/zinc/22/67/62/488226762.db2.gz ARHUGVABCCKLBV-IUCAKERBSA-N 1 1 241.291 -0.617 10 0 BBAEMO NC(=O)c1cnccc1NC[C@@H]([NH3+])C1CC1 ZINC000399217855 357898864 /nfs/dbraw/zinc/89/88/64/357898864.db2.gz JMJAUIUXIBINOG-SECBINFHSA-N 1 1 220.276 -0.248 10 0 BBAEMO NC(=O)c1cnccc1NC[C@H]([NH3+])C1CC1 ZINC000399217858 357898818 /nfs/dbraw/zinc/89/88/18/357898818.db2.gz JMJAUIUXIBINOG-VIFPVBQESA-N 1 1 220.276 -0.248 10 0 BBAEMO CC(C)[C@H]([NH3+])CNc1ccncc1C(N)=O ZINC000399227309 357899570 /nfs/dbraw/zinc/89/95/70/357899570.db2.gz NRSWVSVASVAHEZ-SECBINFHSA-N 1 1 222.292 -0.002 10 0 BBAEMO CC(C)[C@@H]([NH3+])CNc1ccncc1C(N)=O ZINC000399227311 357899324 /nfs/dbraw/zinc/89/93/24/357899324.db2.gz NRSWVSVASVAHEZ-VIFPVBQESA-N 1 1 222.292 -0.002 10 0 BBAEMO CN(CCC[NH3+])c1ccncc1C(N)=O ZINC000399231085 357899471 /nfs/dbraw/zinc/89/94/71/357899471.db2.gz PBZRHWADXKRLNM-UHFFFAOYSA-N 1 1 208.265 -0.035 10 0 BBAEMO CCN(CC[NH3+])c1ccncc1C(N)=O ZINC000399232144 367909366 /nfs/dbraw/zinc/90/93/66/367909366.db2.gz PNCJAOIIYBNGON-UHFFFAOYSA-N 1 1 208.265 -0.035 10 0 BBAEMO CC[C@@H]([NH3+])CNc1ccncc1C(N)=O ZINC000399235984 357899419 /nfs/dbraw/zinc/89/94/19/357899419.db2.gz RDAAHZGDQGSYPG-SSDOTTSWSA-N 1 1 208.265 -0.248 10 0 BBAEMO CC[C@H]([NH3+])CNc1ccncc1C(N)=O ZINC000399235986 357899377 /nfs/dbraw/zinc/89/93/77/357899377.db2.gz RDAAHZGDQGSYPG-ZETCQYMHSA-N 1 1 208.265 -0.248 10 0 BBAEMO C[C@@H]([NH3+])CCNc1ccncc1C(N)=O ZINC000399241487 490092323 /nfs/dbraw/zinc/09/23/23/490092323.db2.gz UIJLUZWPSXVYNA-SSDOTTSWSA-N 1 1 208.265 -0.248 10 0 BBAEMO C[C@H]([NH3+])CCNc1ccncc1C(N)=O ZINC000399241489 355869106 /nfs/dbraw/zinc/86/91/06/355869106.db2.gz UIJLUZWPSXVYNA-ZETCQYMHSA-N 1 1 208.265 -0.248 10 0 BBAEMO NC(=O)c1cnccc1NC[C@H]1CCC[NH2+]1 ZINC000399241944 357899303 /nfs/dbraw/zinc/89/93/03/357899303.db2.gz ULYQXXDUCFXTRN-MRVPVSSYSA-N 1 1 220.276 -0.234 10 0 BBAEMO NC(=O)c1cnccc1NC[C@@H]1CCC[NH2+]1 ZINC000399241948 357899538 /nfs/dbraw/zinc/89/95/38/357899538.db2.gz ULYQXXDUCFXTRN-QMMMGPOBSA-N 1 1 220.276 -0.234 10 0 BBAEMO C[NH2+][C@H](C)CNc1ccncc1C(N)=O ZINC000399247572 487741630 /nfs/dbraw/zinc/74/16/30/487741630.db2.gz WLQAYSWKWKKRPE-SSDOTTSWSA-N 1 1 208.265 -0.378 10 0 BBAEMO C[NH2+][C@@H](C)CNc1ccncc1C(N)=O ZINC000399247573 487741498 /nfs/dbraw/zinc/74/14/98/487741498.db2.gz WLQAYSWKWKKRPE-ZETCQYMHSA-N 1 1 208.265 -0.378 10 0 BBAEMO NC(=O)c1cnccc1N[C@@H]1CCC[NH2+]C1 ZINC000399250429 357899245 /nfs/dbraw/zinc/89/92/45/357899245.db2.gz XRFSZYXQUQDSND-MRVPVSSYSA-N 1 1 220.276 -0.234 10 0 BBAEMO NC(=O)c1cnccc1N[C@H]1CCC[NH2+]C1 ZINC000399250431 357899748 /nfs/dbraw/zinc/89/97/48/357899748.db2.gz XRFSZYXQUQDSND-QMMMGPOBSA-N 1 1 220.276 -0.234 10 0 BBAEMO C[C@H]1CC[C@H](O)C[N@H+]1CCOCCO ZINC000399256099 488228925 /nfs/dbraw/zinc/22/89/25/488228925.db2.gz LZRKDIQNRNDCOQ-UWVGGRQHSA-N 1 1 203.282 -0.160 10 0 BBAEMO C[C@H]1CC[C@@H](O)C[N@H+]1CCOCCO ZINC000399256100 488228675 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/nfs/dbraw/zinc/13/73/20/351137320.db2.gz FCOQDCPNNZGSOB-SNVBAGLBSA-N 1 1 248.286 -0.190 10 0 BBAEMO CC(=O)N1CC[NH2+]C[C@H]1c1ccncn1 ZINC000616637997 351137454 /nfs/dbraw/zinc/13/74/54/351137454.db2.gz BUCKIZRTZKEQQG-JTQLQIEISA-N 1 1 206.249 -0.031 10 0 BBAEMO CC(=O)N1CC[NH2+]C[C@H]1c1c[nH]nc1N ZINC000616638013 411407207 /nfs/dbraw/zinc/40/72/07/411407207.db2.gz BXIGKJCXRMOEEM-QMMMGPOBSA-N 1 1 209.253 -0.515 10 0 BBAEMO NC(=O)c1cccc([C@@H]2C[NH2+]CCN2C(N)=O)c1 ZINC000616638122 351137664 /nfs/dbraw/zinc/13/76/64/351137664.db2.gz FCOQDCPNNZGSOB-JTQLQIEISA-N 1 1 248.286 -0.190 10 0 BBAEMO CC(=O)N1CC[NH2+]C[C@H]1c1ccnnc1 ZINC000616638767 351139967 /nfs/dbraw/zinc/13/99/67/351139967.db2.gz JGAQEOKCZVFDAL-JTQLQIEISA-N 1 1 206.249 -0.031 10 0 BBAEMO NC(=O)N1CC[NH2+]C[C@H]1c1ccnnc1 ZINC000616638778 351139955 /nfs/dbraw/zinc/13/99/55/351139955.db2.gz JSAYIQBQVPYTSN-QMMMGPOBSA-N 1 1 207.237 -0.498 10 0 BBAEMO NC(=O)N1CC[NH2+]C[C@H]1c1ccncn1 ZINC000616638786 351140349 /nfs/dbraw/zinc/14/03/49/351140349.db2.gz JZZWINNOECQISS-QMMMGPOBSA-N 1 1 207.237 -0.498 10 0 BBAEMO CC(=O)N1CC[NH2+]C[C@H]1c1ncccn1 ZINC000616638802 351142401 /nfs/dbraw/zinc/14/24/01/351142401.db2.gz KZTGXMMSVIUPFC-VIFPVBQESA-N 1 1 206.249 -0.031 10 0 BBAEMO CC(=O)N1CC[NH2+]C[C@@H]1c1ccnnc1 ZINC000616638852 351142327 /nfs/dbraw/zinc/14/23/27/351142327.db2.gz JGAQEOKCZVFDAL-SNVBAGLBSA-N 1 1 206.249 -0.031 10 0 BBAEMO NC(=O)N1CC[NH2+]C[C@@H]1c1ccnnc1 ZINC000616638874 351142553 /nfs/dbraw/zinc/14/25/53/351142553.db2.gz JSAYIQBQVPYTSN-MRVPVSSYSA-N 1 1 207.237 -0.498 10 0 BBAEMO CC(=O)N1CC[NH2+]C[C@H]1c1cc(N)n[nH]1 ZINC000616638877 411855533 /nfs/dbraw/zinc/85/55/33/411855533.db2.gz MPOMMFIFMLEBQN-QMMMGPOBSA-N 1 1 209.253 -0.515 10 0 BBAEMO NC(=O)N1CC[NH2+]C[C@H]1c1cc(N)n[nH]1 ZINC000616638883 411976062 /nfs/dbraw/zinc/97/60/62/411976062.db2.gz MSIXWDGAOUCMAT-LURJTMIESA-N 1 1 210.241 -0.983 10 0 BBAEMO NC(=O)N1CC[NH2+]C[C@@H]1c1ccncn1 ZINC000616638890 351141889 /nfs/dbraw/zinc/14/18/89/351141889.db2.gz JZZWINNOECQISS-MRVPVSSYSA-N 1 1 207.237 -0.498 10 0 BBAEMO CC(=O)N1CC[NH2+]C[C@@H]1c1ncccn1 ZINC000616638916 351141977 /nfs/dbraw/zinc/14/19/77/351141977.db2.gz KZTGXMMSVIUPFC-SECBINFHSA-N 1 1 206.249 -0.031 10 0 BBAEMO NC(=O)c1ccccc1[C@@H]1C[NH2+]CCN1C(N)=O ZINC000616638946 351142163 /nfs/dbraw/zinc/14/21/63/351142163.db2.gz OKQSPDMWKVNDDN-JTQLQIEISA-N 1 1 248.286 -0.190 10 0 BBAEMO NC(=O)N1CC[NH2+]C[C@H]1c1cccnc1N ZINC000616639186 351141931 /nfs/dbraw/zinc/14/19/31/351141931.db2.gz QEBVXDXQRXLOBA-QMMMGPOBSA-N 1 1 221.264 -0.311 10 0 BBAEMO NC(=O)N1CC[NH2+]C[C@H]1c1cccc(N)n1 ZINC000616639217 351141700 /nfs/dbraw/zinc/14/17/00/351141700.db2.gz QPZVJXDLUVJYGM-QMMMGPOBSA-N 1 1 221.264 -0.311 10 0 BBAEMO NC(=O)N1CC[NH2+]C[C@H]1c1ncccn1 ZINC000616639241 351141298 /nfs/dbraw/zinc/14/12/98/351141298.db2.gz RFWUYBJDHOUKLD-ZETCQYMHSA-N 1 1 207.237 -0.498 10 0 BBAEMO NC(=O)N1CC[NH2+]C[C@H]1c1cccnn1 ZINC000616639254 351141282 /nfs/dbraw/zinc/14/12/82/351141282.db2.gz RMVUIHUJZVSACL-QMMMGPOBSA-N 1 1 207.237 -0.498 10 0 BBAEMO CC(=O)N1CC[NH2+]C[C@H]1c1cncnc1 ZINC000616639255 351141210 /nfs/dbraw/zinc/14/12/10/351141210.db2.gz RMXKVZRHGAGTMX-JTQLQIEISA-N 1 1 206.249 -0.031 10 0 BBAEMO NC(=O)N1CC[NH2+]C[C@H]1c1cncnc1 ZINC000616639379 351143881 /nfs/dbraw/zinc/14/38/81/351143881.db2.gz UVKHYSRHUUZRPZ-QMMMGPOBSA-N 1 1 207.237 -0.498 10 0 BBAEMO CC(=O)N1CC[NH2+]C[C@@H]1c1cc(N)n[nH]1 ZINC000616639423 411855792 /nfs/dbraw/zinc/85/57/92/411855792.db2.gz MPOMMFIFMLEBQN-MRVPVSSYSA-N 1 1 209.253 -0.515 10 0 BBAEMO NC(=O)N1CC[NH2+]C[C@@H]1c1cc(N)n[nH]1 ZINC000616639424 411976476 /nfs/dbraw/zinc/97/64/76/411976476.db2.gz MSIXWDGAOUCMAT-ZCFIWIBFSA-N 1 1 210.241 -0.983 10 0 BBAEMO NC(=O)c1ccccc1[C@H]1C[NH2+]CCN1C(N)=O ZINC000616639473 351144001 /nfs/dbraw/zinc/14/40/01/351144001.db2.gz OKQSPDMWKVNDDN-SNVBAGLBSA-N 1 1 248.286 -0.190 10 0 BBAEMO NC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1N ZINC000616639515 351144051 /nfs/dbraw/zinc/14/40/51/351144051.db2.gz QEBVXDXQRXLOBA-MRVPVSSYSA-N 1 1 221.264 -0.311 10 0 BBAEMO NC(=O)N1CC[NH2+]C[C@@H]1c1cccc(N)n1 ZINC000616639550 351144112 /nfs/dbraw/zinc/14/41/12/351144112.db2.gz QPZVJXDLUVJYGM-MRVPVSSYSA-N 1 1 221.264 -0.311 10 0 BBAEMO NC(=O)N1CC[NH2+]C[C@@H]1c1ncccn1 ZINC000616639563 351143821 /nfs/dbraw/zinc/14/38/21/351143821.db2.gz RFWUYBJDHOUKLD-SSDOTTSWSA-N 1 1 207.237 -0.498 10 0 BBAEMO NC(=O)N1CC[NH2+]C[C@@H]1c1cccnn1 ZINC000616639570 351144063 /nfs/dbraw/zinc/14/40/63/351144063.db2.gz RMVUIHUJZVSACL-MRVPVSSYSA-N 1 1 207.237 -0.498 10 0 BBAEMO CC(=O)N1CC[NH2+]C[C@@H]1c1cncnc1 ZINC000616639572 351144103 /nfs/dbraw/zinc/14/41/03/351144103.db2.gz RMXKVZRHGAGTMX-SNVBAGLBSA-N 1 1 206.249 -0.031 10 0 BBAEMO NC(=O)N1CC[NH2+]C[C@H]1c1c[nH]nc1N ZINC000616639633 411976842 /nfs/dbraw/zinc/97/68/42/411976842.db2.gz WSGYFNKCSSYXAG-LURJTMIESA-N 1 1 210.241 -0.983 10 0 BBAEMO NC(=O)N1CC[NH2+]C[C@H]1c1ccc(N)nc1 ZINC000616639652 411976723 /nfs/dbraw/zinc/97/67/23/411976723.db2.gz XNGZWLXRGZYHFG-QMMMGPOBSA-N 1 1 221.264 -0.311 10 0 BBAEMO NC(=O)N1CC[NH2+]C[C@@H]1c1cncnc1 ZINC000616640026 351144544 /nfs/dbraw/zinc/14/45/44/351144544.db2.gz UVKHYSRHUUZRPZ-MRVPVSSYSA-N 1 1 207.237 -0.498 10 0 BBAEMO NC(=O)N1CC[NH2+]C[C@@H]1c1c[nH]nc1N ZINC000616640150 411977068 /nfs/dbraw/zinc/97/70/68/411977068.db2.gz WSGYFNKCSSYXAG-ZCFIWIBFSA-N 1 1 210.241 -0.983 10 0 BBAEMO NC(=O)N1CC[NH2+]C[C@@H]1c1ccc(N)nc1 ZINC000616640180 411976692 /nfs/dbraw/zinc/97/66/92/411976692.db2.gz XNGZWLXRGZYHFG-MRVPVSSYSA-N 1 1 221.264 -0.311 10 0 BBAEMO CS(=O)(=O)N1CCOC[C@H]1c1cnc[nH]1 ZINC000616642578 351152784 /nfs/dbraw/zinc/15/27/84/351152784.db2.gz PUYIHMLSPISGDJ-QMMMGPOBSA-N 1 1 231.277 -0.257 10 0 BBAEMO [NH3+]CCN1CCCOC[C@H]1c1c[nH]nn1 ZINC000616645327 351167537 /nfs/dbraw/zinc/16/75/37/351167537.db2.gz MUPWNYDLCUJQEZ-VIFPVBQESA-N 1 1 211.269 -0.473 10 0 BBAEMO [NH3+]CCN1CCCOC[C@@H]1c1c[nH]nn1 ZINC000616646002 343530668 /nfs/dbraw/zinc/53/06/68/343530668.db2.gz MUPWNYDLCUJQEZ-SECBINFHSA-N 1 1 211.269 -0.473 10 0 BBAEMO Nc1n[nH]cc1[C@@H]1COCCC[N@H+]1CCO ZINC000616646110 411288892 /nfs/dbraw/zinc/28/88/92/411288892.db2.gz SYNKJDHZBQMMAD-VIFPVBQESA-N 1 1 226.280 -0.252 10 0 BBAEMO Nc1n[nH]cc1[C@@H]1COCCC[N@@H+]1CCO ZINC000616646110 411288890 /nfs/dbraw/zinc/28/88/90/411288890.db2.gz SYNKJDHZBQMMAD-VIFPVBQESA-N 1 1 226.280 -0.252 10 0 BBAEMO [NH3+]CCN1CCCOC[C@H]1c1nnc[nH]1 ZINC000616646444 351171773 /nfs/dbraw/zinc/17/17/73/351171773.db2.gz WMKWHNYWZHFGGU-QMMMGPOBSA-N 1 1 211.269 -0.473 10 0 BBAEMO Nc1n[nH]cc1[C@H]1COCCC[N@H+]1CCO ZINC000616646677 411987348 /nfs/dbraw/zinc/98/73/48/411987348.db2.gz SYNKJDHZBQMMAD-SECBINFHSA-N 1 1 226.280 -0.252 10 0 BBAEMO Nc1n[nH]cc1[C@H]1COCCC[N@@H+]1CCO ZINC000616646677 411987344 /nfs/dbraw/zinc/98/73/44/411987344.db2.gz SYNKJDHZBQMMAD-SECBINFHSA-N 1 1 226.280 -0.252 10 0 BBAEMO [NH3+]CCN1CCCOC[C@@H]1c1nnc[nH]1 ZINC000616646816 351172419 /nfs/dbraw/zinc/17/24/19/351172419.db2.gz WMKWHNYWZHFGGU-MRVPVSSYSA-N 1 1 211.269 -0.473 10 0 BBAEMO NS(=O)(=O)N1CCCOC[C@@H]1c1cnc[nH]1 ZINC000616648737 351176384 /nfs/dbraw/zinc/17/63/84/351176384.db2.gz WPIBUVVWWNOGLR-MRVPVSSYSA-N 1 1 246.292 -0.623 10 0 BBAEMO CC[N@H+]1CCCO[C@H](S(N)(=O)=O)C1 ZINC000616649482 351178755 /nfs/dbraw/zinc/17/87/55/351178755.db2.gz KQKXBCSKRRCVGY-SSDOTTSWSA-N 1 1 208.283 -0.657 10 0 BBAEMO CC[N@@H+]1CCCO[C@H](S(N)(=O)=O)C1 ZINC000616649482 351178752 /nfs/dbraw/zinc/17/87/52/351178752.db2.gz KQKXBCSKRRCVGY-SSDOTTSWSA-N 1 1 208.283 -0.657 10 0 BBAEMO CCOC(=O)[C@@H]1C[N@@H+](CCO)CCCO1 ZINC000616649869 351180416 /nfs/dbraw/zinc/18/04/16/351180416.db2.gz MPIAJAMXQBIJBC-VIFPVBQESA-N 1 1 217.265 -0.367 10 0 BBAEMO OCC[N@H+]1CCCO[C@H](Nc2cc[nH]n2)C1 ZINC000616650332 411687415 /nfs/dbraw/zinc/68/74/15/411687415.db2.gz XOOPQKBOWLMJJW-JTQLQIEISA-N 1 1 226.280 -0.138 10 0 BBAEMO OCC[N@@H+]1CCCO[C@H](Nc2cc[nH]n2)C1 ZINC000616650332 411687410 /nfs/dbraw/zinc/68/74/10/411687410.db2.gz XOOPQKBOWLMJJW-JTQLQIEISA-N 1 1 226.280 -0.138 10 0 BBAEMO CC(C)[N@H+]1CCCO[C@H](S(N)(=O)=O)C1 ZINC000616650344 343531128 /nfs/dbraw/zinc/53/11/28/343531128.db2.gz YCFPDJDVXCDOKY-MRVPVSSYSA-N 1 1 222.310 -0.268 10 0 BBAEMO CC(C)[N@@H+]1CCCO[C@H](S(N)(=O)=O)C1 ZINC000616650344 343531127 /nfs/dbraw/zinc/53/11/27/343531127.db2.gz YCFPDJDVXCDOKY-MRVPVSSYSA-N 1 1 222.310 -0.268 10 0 BBAEMO CC(=O)N[C@@H]1C[N@@H+](CCO)CCCO1 ZINC000616650403 351174392 /nfs/dbraw/zinc/17/43/92/351174392.db2.gz ZUHNNNJPPPGURC-VIFPVBQESA-N 1 1 202.254 -0.837 10 0 BBAEMO CC(=O)N[C@@H]1C[N@H+](CCO)CCCO1 ZINC000616650403 351174388 /nfs/dbraw/zinc/17/43/88/351174388.db2.gz ZUHNNNJPPPGURC-VIFPVBQESA-N 1 1 202.254 -0.837 10 0 BBAEMO OCC[N@H+]1CCCC[C@@H](c2nn[nH]n2)C1 ZINC000616651870 351188867 /nfs/dbraw/zinc/18/88/67/351188867.db2.gz BAHJMPKNEWXTPJ-MRVPVSSYSA-N 1 1 211.269 -0.239 10 0 BBAEMO OCC[N@H+]1CCCO[C@@H](c2cnno2)C1 ZINC000616651986 351189907 /nfs/dbraw/zinc/18/99/07/351189907.db2.gz CIPSZXRIGIATMU-SECBINFHSA-N 1 1 213.237 -0.175 10 0 BBAEMO Nc1ncccc1[C@H]1CN(CC[NH3+])CCN1 ZINC000616652146 351189648 /nfs/dbraw/zinc/18/96/48/351189648.db2.gz CANDFFHCODJEDY-SNVBAGLBSA-N 1 1 221.308 -0.431 10 0 BBAEMO OCCN1CC[NH2+][C@@H](c2ccncn2)C1 ZINC000616652356 351191275 /nfs/dbraw/zinc/19/12/75/351191275.db2.gz FBHNIERGSNEFMY-SNVBAGLBSA-N 1 1 208.265 -0.585 10 0 BBAEMO CC[N@H+]1CCCO[C@@H](S(N)(=O)=O)C1 ZINC000616652808 351186890 /nfs/dbraw/zinc/18/68/90/351186890.db2.gz KQKXBCSKRRCVGY-ZETCQYMHSA-N 1 1 208.283 -0.657 10 0 BBAEMO CC[N@@H+]1CCCO[C@@H](S(N)(=O)=O)C1 ZINC000616652808 351186887 /nfs/dbraw/zinc/18/68/87/351186887.db2.gz KQKXBCSKRRCVGY-ZETCQYMHSA-N 1 1 208.283 -0.657 10 0 BBAEMO NS(=O)(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000616653267 351189868 /nfs/dbraw/zinc/18/98/68/351189868.db2.gz KOVMTFPGHJSTNO-SECBINFHSA-N 1 1 242.304 -0.769 10 0 BBAEMO Nc1n[nH]cc1[C@H]1C[N@@H+](CCO)CCCO1 ZINC000616653294 411988201 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239.319 -0.259 10 0 BBAEMO NC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000662872940 412330509 /nfs/dbraw/zinc/33/05/09/412330509.db2.gz JTOWMIYQMKQDHW-QEYWKRMJSA-N 1 1 239.319 -0.259 10 0 BBAEMO CN(CC1=CCCOC1)C(=O)[C@H]1COCC[NH2+]1 ZINC000662873028 412330848 /nfs/dbraw/zinc/33/08/48/412330848.db2.gz TWPOHHAFCVZYPL-LLVKDONJSA-N 1 1 240.303 -0.220 10 0 BBAEMO CN(CC1=CCCOC1)C(=O)[C@@H]1COCC[NH2+]1 ZINC000662873029 409959783 /nfs/dbraw/zinc/95/97/83/409959783.db2.gz TWPOHHAFCVZYPL-NSHDSACASA-N 1 1 240.303 -0.220 10 0 BBAEMO C[C@@H]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)O1 ZINC000662873359 412330700 /nfs/dbraw/zinc/33/07/00/412330700.db2.gz MINVCZGMSOZONG-HLTSFMKQSA-N 1 1 243.307 -0.737 10 0 BBAEMO C[C@@H]1CCC[C@@H](CNC(=O)[C@H]([NH3+])CC(N)=O)O1 ZINC000662873365 412330591 /nfs/dbraw/zinc/33/05/91/412330591.db2.gz MINVCZGMSOZONG-HRDYMLBCSA-N 1 1 243.307 -0.737 10 0 BBAEMO C[C@@H]1CCC[C@H](CNC(=O)[C@H]([NH3+])CC(N)=O)O1 ZINC000662873366 412331217 /nfs/dbraw/zinc/33/12/17/412331217.db2.gz MINVCZGMSOZONG-IWSPIJDZSA-N 1 1 243.307 -0.737 10 0 BBAEMO C[C@@H]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)O1 ZINC000662873367 412330623 /nfs/dbraw/zinc/33/06/23/412330623.db2.gz MINVCZGMSOZONG-VGMNWLOBSA-N 1 1 243.307 -0.737 10 0 BBAEMO NC(=O)C[C@@H]([NH3+])C(=O)NCCCC1CCC1 ZINC000662873394 409961332 /nfs/dbraw/zinc/96/13/32/409961332.db2.gz CEGYVDINEKYRMH-SECBINFHSA-N 1 1 227.308 -0.114 10 0 BBAEMO NC(=O)C[C@H]([NH3+])C(=O)NCCCC1CCC1 ZINC000662873396 409960302 /nfs/dbraw/zinc/96/03/02/409960302.db2.gz CEGYVDINEKYRMH-VIFPVBQESA-N 1 1 227.308 -0.114 10 0 BBAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@H](CCF)C1 ZINC000662879667 412333551 /nfs/dbraw/zinc/33/35/51/412333551.db2.gz CSLPNIQFOSSHJY-BDAKNGLRSA-N 1 1 245.298 -0.213 10 0 BBAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](CCF)C1 ZINC000662879668 412333317 /nfs/dbraw/zinc/33/33/17/412333317.db2.gz CSLPNIQFOSSHJY-DTWKUNHWSA-N 1 1 245.298 -0.213 10 0 BBAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H](CCF)C1 ZINC000662879669 412333714 /nfs/dbraw/zinc/33/37/14/412333714.db2.gz CSLPNIQFOSSHJY-IUCAKERBSA-N 1 1 245.298 -0.213 10 0 BBAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCC[C@H](CCF)C1 ZINC000662879670 412332904 /nfs/dbraw/zinc/33/29/04/412332904.db2.gz CSLPNIQFOSSHJY-RKDXNWHRSA-N 1 1 245.298 -0.213 10 0 BBAEMO CC(F)(F)CNC(=O)[C@H]1COCC[NH2+]1 ZINC000662898775 412337432 /nfs/dbraw/zinc/33/74/32/412337432.db2.gz RDPOLENYEWZXEA-ZCFIWIBFSA-N 1 1 208.208 -0.254 10 0 BBAEMO NC(=O)C[C@@H]([NH3+])C(=O)NC1CC2(CCC2)C1 ZINC000662906718 412341501 /nfs/dbraw/zinc/34/15/01/412341501.db2.gz QBAFWBVYFRKZEW-MRVPVSSYSA-N 1 1 225.292 -0.362 10 0 BBAEMO NC(=O)C[C@H]([NH3+])C(=O)NC1CC2(CCC2)C1 ZINC000662906721 412341374 /nfs/dbraw/zinc/34/13/74/412341374.db2.gz QBAFWBVYFRKZEW-QMMMGPOBSA-N 1 1 225.292 -0.362 10 0 BBAEMO O=C([C@@H]1COCC[NH2+]1)N1CC[C@@H]2C[C@@H]2C1 ZINC000662914359 412343791 /nfs/dbraw/zinc/34/37/91/412343791.db2.gz QKDSKHMNQIEEFB-BBBLOLIVSA-N 1 1 210.277 -0.157 10 0 BBAEMO 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240.303 -0.530 10 0 BBAEMO O=C([C@@H]1COCC[NH2+]1)N1CC[C@@H]2COC[C@@H]2C1 ZINC000662920667 412345949 /nfs/dbraw/zinc/34/59/49/412345949.db2.gz ZNRSBQYSJPCKME-VWYCJHECSA-N 1 1 240.303 -0.530 10 0 BBAEMO CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]([NH3+])CC(N)=O ZINC000662929485 412347955 /nfs/dbraw/zinc/34/79/55/412347955.db2.gz BOZXGLMEOFGOIQ-FWKUWYBHSA-N 1 1 239.319 -0.021 10 0 BBAEMO CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]([NH3+])CC(N)=O ZINC000662929486 412348138 /nfs/dbraw/zinc/34/81/38/412348138.db2.gz BOZXGLMEOFGOIQ-UPBARMNASA-N 1 1 239.319 -0.021 10 0 BBAEMO CN(C)CC(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662985559 487789564 /nfs/dbraw/zinc/78/95/64/487789564.db2.gz XKQOLJUPMLVSHI-LURJTMIESA-N 1 1 227.230 -0.104 10 0 BBAEMO CN(C)CC(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662985560 487789556 /nfs/dbraw/zinc/78/95/56/487789556.db2.gz XKQOLJUPMLVSHI-ZCFIWIBFSA-N 1 1 227.230 -0.104 10 0 BBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCOCCF ZINC000663003066 490276601 /nfs/dbraw/zinc/27/66/01/490276601.db2.gz JIOHHMNJSQRISF-BDAKNGLRSA-N 1 1 234.271 -0.534 10 0 BBAEMO O=C(NCCOCCF)[C@H]1COCC[NH2+]1 ZINC000663004758 412367804 /nfs/dbraw/zinc/36/78/04/412367804.db2.gz RNWFKQJEIJDFIH-MRVPVSSYSA-N 1 1 220.244 -0.923 10 0 BBAEMO O=C(NCCOCCF)[C@@H]1COCC[NH2+]1 ZINC000663004776 412367546 /nfs/dbraw/zinc/36/75/46/412367546.db2.gz RNWFKQJEIJDFIH-QMMMGPOBSA-N 1 1 220.244 -0.923 10 0 BBAEMO NC(=O)c1cnccc1NCC12CC(C1)C[NH2+]2 ZINC000663273714 412404611 /nfs/dbraw/zinc/40/46/11/412404611.db2.gz FZVZNNKLJDOWAP-UHFFFAOYSA-N 1 1 232.287 -0.234 10 0 BBAEMO C[NH2+]C[C@@H](C)Nc1ccncc1C(N)=O ZINC000663278215 412407441 /nfs/dbraw/zinc/40/74/41/412407441.db2.gz DNOVQQNFMBSSLA-SSDOTTSWSA-N 1 1 208.265 -0.378 10 0 BBAEMO CN(C)c1nc(N[C@@H]2CCNC2=O)cc[nH+]1 ZINC000664134610 411867041 /nfs/dbraw/zinc/86/70/41/411867041.db2.gz ZUNPUANOXBAGNF-SSDOTTSWSA-N 1 1 221.264 -0.157 10 0 BBAEMO C[C@H](N[C@H]1CCNC1=O)[C@@H]1CCC[NH2+]C1 ZINC000665229504 412168878 /nfs/dbraw/zinc/16/88/78/412168878.db2.gz ZYCSYMZWWUHLIF-AEJSXWLSSA-N 1 1 211.309 -0.147 10 0 BBAEMO C[C@H](N[C@H]1CCNC1=O)[C@H]1CCC[NH2+]C1 ZINC000665229505 412168893 /nfs/dbraw/zinc/16/88/93/412168893.db2.gz ZYCSYMZWWUHLIF-GUBZILKMSA-N 1 1 211.309 -0.147 10 0 BBAEMO C[C@H](N[C@@H]1CCNC1=O)[C@@H]1CCC[NH2+]C1 ZINC000665229506 412167401 /nfs/dbraw/zinc/16/74/01/412167401.db2.gz ZYCSYMZWWUHLIF-IVZWLZJFSA-N 1 1 211.309 -0.147 10 0 BBAEMO C[C@H](N[C@@H]1CCNC1=O)[C@H]1CCC[NH2+]C1 ZINC000665229507 412168409 /nfs/dbraw/zinc/16/84/09/412168409.db2.gz ZYCSYMZWWUHLIF-LPEHRKFASA-N 1 1 211.309 -0.147 10 0 BBAEMO CN(C)CC(=O)N[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000669371913 537948150 /nfs/dbraw/zinc/94/81/50/537948150.db2.gz FEYPBSYLFDOMDL-RNFRBKRXSA-N 1 1 239.241 -0.186 10 0 BBAEMO CCn1c(=O)[nH]nc1[C@@H]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC000669372045 537948128 /nfs/dbraw/zinc/94/81/28/537948128.db2.gz GYJYZPCNTDWXTJ-XLPZGREQSA-N 1 1 226.280 -0.183 10 0 BBAEMO CNS(=O)(=O)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000669375454 537953871 /nfs/dbraw/zinc/95/38/71/537953871.db2.gz KSISVXNGQIXRCD-MRVPVSSYSA-N 1 1 204.295 -0.228 10 0 BBAEMO CNS(=O)(=O)[C@H]1CC[N@H+](C2CC2)C1 ZINC000669375455 537954765 /nfs/dbraw/zinc/95/47/65/537954765.db2.gz KSISVXNGQIXRCD-QMMMGPOBSA-N 1 1 204.295 -0.228 10 0 BBAEMO CNS(=O)(=O)Cc1c[nH+]c(C)n1C ZINC000669376371 537961778 /nfs/dbraw/zinc/96/17/78/537961778.db2.gz QAWMSBNTEGQQKC-UHFFFAOYSA-N 1 1 203.267 -0.222 10 0 BBAEMO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)CN(C)C ZINC000669379173 537975552 /nfs/dbraw/zinc/97/55/52/537975552.db2.gz VNEODBVACLCCGZ-NXEZZACHSA-N 1 1 213.325 -0.090 10 0 BBAEMO C[C@@H]1CN(C(=O)CN(C)C)C[C@H]1CC[NH3+] ZINC000669379227 537974260 /nfs/dbraw/zinc/97/42/60/537974260.db2.gz XZJCIRVPQCSAMT-NXEZZACHSA-N 1 1 213.325 -0.009 10 0 BBAEMO OCC12CC(C[NH+]3CCOCC3)(C1)OC2 ZINC000669379477 537978871 /nfs/dbraw/zinc/97/88/71/537978871.db2.gz DAKQEDUHEQRNAY-UHFFFAOYSA-N 1 1 213.277 -0.140 10 0 BBAEMO COC(=O)[C@@H]1CO[C@@]2(C[NH+]3CCC2CC3)N1 ZINC000669379531 537979268 /nfs/dbraw/zinc/97/92/68/537979268.db2.gz DUHZSUDWLFSWPG-GXSJLCMTSA-N 1 1 226.276 -0.430 10 0 BBAEMO COC(=O)[C@H]1CO[C@]2(C[NH+]3CCC2CC3)N1 ZINC000669379533 537979236 /nfs/dbraw/zinc/97/92/36/537979236.db2.gz DUHZSUDWLFSWPG-KOLCDFICSA-N 1 1 226.276 -0.430 10 0 BBAEMO COC(=O)[C@H]1CO[C@@]2(C[NH+]3CCC2CC3)N1 ZINC000669379534 537979140 /nfs/dbraw/zinc/97/91/40/537979140.db2.gz DUHZSUDWLFSWPG-MWLCHTKSSA-N 1 1 226.276 -0.430 10 0 BBAEMO COC(=O)[C@@H]1CO[C@]2(C[NH+]3CCC2CC3)N1 ZINC000669379535 537980098 /nfs/dbraw/zinc/98/00/98/537980098.db2.gz DUHZSUDWLFSWPG-ONGXEEELSA-N 1 1 226.276 -0.430 10 0 BBAEMO CN(C)CC(=O)NC1CCN(CC[NH3+])CC1 ZINC000669380062 537985692 /nfs/dbraw/zinc/98/56/92/537985692.db2.gz HGCDSPIVMZKIPC-UHFFFAOYSA-N 1 1 228.340 -0.913 10 0 BBAEMO C[NH+]1CCN(CC23CC(CO)(C2)CO3)CC1 ZINC000669380160 537984520 /nfs/dbraw/zinc/98/45/20/537984520.db2.gz RZWUERLQDSSLLJ-UHFFFAOYSA-N 1 1 226.320 -0.225 10 0 BBAEMO C[NH+](C)CC(=O)N1CCCn2ncc(N)c21 ZINC000669380192 537984335 /nfs/dbraw/zinc/98/43/35/537984335.db2.gz UYXBENLNHYCBGG-UHFFFAOYSA-N 1 1 223.280 -0.236 10 0 BBAEMO COCCN1CCN(C[C@H]2CC[NH2+]2)CC1 ZINC000669380216 537987655 /nfs/dbraw/zinc/98/76/55/537987655.db2.gz VSCKESDWIIRTBF-LLVKDONJSA-N 1 1 213.325 -0.388 10 0 BBAEMO COCCN1CCN(C[C@@H]2CC[NH2+]2)CC1 ZINC000669380217 537986558 /nfs/dbraw/zinc/98/65/58/537986558.db2.gz VSCKESDWIIRTBF-NSHDSACASA-N 1 1 213.325 -0.388 10 0 BBAEMO CN(C)CC(=O)NCCN1CCC([NH3+])CC1 ZINC000669380285 537986941 /nfs/dbraw/zinc/98/69/41/537986941.db2.gz KMKOZUAMJAPMPB-UHFFFAOYSA-N 1 1 228.340 -0.913 10 0 BBAEMO [NH3+]CCCn1cc([C@H]2CNCCO2)nn1 ZINC000669381232 566425771 /nfs/dbraw/zinc/42/57/71/566425771.db2.gz CKMMVNKJRITWDK-SECBINFHSA-N 1 1 211.269 -0.712 10 0 BBAEMO [NH3+]CCCn1cc([C@@H]2CNCCO2)nn1 ZINC000669381233 566425752 /nfs/dbraw/zinc/42/57/52/566425752.db2.gz CKMMVNKJRITWDK-VIFPVBQESA-N 1 1 211.269 -0.712 10 0 BBAEMO C[NH+](C)CCn1cc([C@@H]2CNCCO2)nn1 ZINC000669381527 537998752 /nfs/dbraw/zinc/99/87/52/537998752.db2.gz MRSRTPFKDJKENU-JTQLQIEISA-N 1 1 225.296 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C[NH+]1CCN(C[C@@H]2CC[C@H](CO)O2)CC1 ZINC000675059991 538485152 /nfs/dbraw/zinc/48/51/52/538485152.db2.gz ZCNIXDKAKJBUCX-WDEREUQCSA-N 1 1 214.309 -0.226 10 0 BBAEMO CCN1CCN([C@@H]2C[NH2+]CC[C@H]2O)CC1 ZINC000675061030 538486937 /nfs/dbraw/zinc/48/69/37/538486937.db2.gz WOWYHBNDZKFOTB-GHMZBOCLSA-N 1 1 213.325 -0.653 10 0 BBAEMO CCN1CCN([C@@H]2C[NH2+]CC[C@@H]2O)CC1 ZINC000675061031 538487326 /nfs/dbraw/zinc/48/73/26/538487326.db2.gz WOWYHBNDZKFOTB-MNOVXSKESA-N 1 1 213.325 -0.653 10 0 BBAEMO CCN1CCN([C@H]2C[NH2+]CC[C@H]2O)CC1 ZINC000675061032 538486847 /nfs/dbraw/zinc/48/68/47/538486847.db2.gz WOWYHBNDZKFOTB-WDEREUQCSA-N 1 1 213.325 -0.653 10 0 BBAEMO O=C1NCCC[NH2+][C@@H]1Cc1ncccn1 ZINC000675068886 538497611 /nfs/dbraw/zinc/49/76/11/538497611.db2.gz TUSPSDRPKMTQQI-MRVPVSSYSA-N 1 1 206.249 -0.503 10 0 BBAEMO O=C1NCCC[NH2+][C@H]1Cc1ncccn1 ZINC000675068890 538497491 /nfs/dbraw/zinc/49/74/91/538497491.db2.gz TUSPSDRPKMTQQI-QMMMGPOBSA-N 1 1 206.249 -0.503 10 0 BBAEMO CN(C)CC(=O)N1CCC[C@@H]2C[C@@]21C[NH3+] ZINC000675070071 538499942 /nfs/dbraw/zinc/49/99/42/538499942.db2.gz KXULHHWHLBSZID-MWLCHTKSSA-N 1 1 211.309 -0.112 10 0 BBAEMO CN(C)CC(=O)N1CCC[C@H]2C[C@]21C[NH3+] ZINC000675070072 538500079 /nfs/dbraw/zinc/50/00/79/538500079.db2.gz KXULHHWHLBSZID-ONGXEEELSA-N 1 1 211.309 -0.112 10 0 BBAEMO CN(C)CC(=O)NC[C@]12C[C@H]1CCC[NH2+]2 ZINC000675070275 538499808 /nfs/dbraw/zinc/49/98/08/538499808.db2.gz NPYBYLMJLYVDKA-MWLCHTKSSA-N 1 1 211.309 -0.194 10 0 BBAEMO CN(C)CC(=O)NC[C@@]12C[C@@H]1CCC[NH2+]2 ZINC000675070276 538500401 /nfs/dbraw/zinc/50/04/01/538500401.db2.gz NPYBYLMJLYVDKA-ONGXEEELSA-N 1 1 211.309 -0.194 10 0 BBAEMO CN(C)CC(=O)N(C1C[NH2+]C1)[C@@H]1CCOC1 ZINC000675070685 538500784 /nfs/dbraw/zinc/50/07/84/538500784.db2.gz RTEDQFCMYJGJSK-SECBINFHSA-N 1 1 227.308 -0.863 10 0 BBAEMO CN(C)CC(=O)N(C1C[NH2+]C1)[C@H]1CCOC1 ZINC000675070687 538500987 /nfs/dbraw/zinc/50/09/87/538500987.db2.gz RTEDQFCMYJGJSK-VIFPVBQESA-N 1 1 227.308 -0.863 10 0 BBAEMO COC(=O)C1([NH3+])CC(NC(=O)C2(C)CC2)C1 ZINC000675072660 538503084 /nfs/dbraw/zinc/50/30/84/538503084.db2.gz BWYBZBXQIOOLRJ-UHFFFAOYSA-N 1 1 226.276 -0.064 10 0 BBAEMO COC(=O)C1([NH3+])CC(NC(=O)CC2CC2)C1 ZINC000675072894 538504445 /nfs/dbraw/zinc/50/44/45/538504445.db2.gz DCJHWTAWQKAGBL-UHFFFAOYSA-N 1 1 226.276 -0.064 10 0 BBAEMO CCC(=O)NC1CC([NH3+])(C(=O)OC)C1 ZINC000675072909 538504426 /nfs/dbraw/zinc/50/44/26/538504426.db2.gz DEPQGIJIEISORJ-UHFFFAOYSA-N 1 1 200.238 -0.455 10 0 BBAEMO COC(=O)[C@@]12C[C@]1(CNC1CC1)C[NH2+]C2 ZINC000675072965 538504400 /nfs/dbraw/zinc/50/44/00/538504400.db2.gz FKZYQKRJWQFEAT-MNOVXSKESA-N 1 1 210.277 -0.109 10 0 BBAEMO COC(=O)[C@]12C[C@@]1(CNC1CC1)C[NH2+]C2 ZINC000675072967 537873160 /nfs/dbraw/zinc/87/31/60/537873160.db2.gz FKZYQKRJWQFEAT-WDEREUQCSA-N 1 1 210.277 -0.109 10 0 BBAEMO COC(=O)C1([NH3+])CC(NC(=O)NCC(C)C)C1 ZINC000675072978 538505166 /nfs/dbraw/zinc/50/51/66/538505166.db2.gz FYWQWYCPOTUHGN-UHFFFAOYSA-N 1 1 243.307 -0.026 10 0 BBAEMO NC[C@]12C[NH2+]C[C@H]1S(=O)(=O)CCC2 ZINC000675073131 538504900 /nfs/dbraw/zinc/50/49/00/538504900.db2.gz LQVGFSACBRPPHI-HTQZYQBOSA-N 1 1 204.295 -0.888 10 0 BBAEMO NC[C@]12C[NH2+]C[C@@H]1S(=O)(=O)CCC2 ZINC000675073133 538505011 /nfs/dbraw/zinc/50/50/11/538505011.db2.gz LQVGFSACBRPPHI-JGVFFNPUSA-N 1 1 204.295 -0.888 10 0 BBAEMO NC[C@@]12C[NH2+]C[C@H]1S(=O)(=O)CCC2 ZINC000675073134 538504926 /nfs/dbraw/zinc/50/49/26/538504926.db2.gz LQVGFSACBRPPHI-SFYZADRCSA-N 1 1 204.295 -0.888 10 0 BBAEMO NC[C@@]12C[NH2+]C[C@@H]1S(=O)(=O)CCC2 ZINC000675073136 538505260 /nfs/dbraw/zinc/50/52/60/538505260.db2.gz LQVGFSACBRPPHI-YUMQZZPRSA-N 1 1 204.295 -0.888 10 0 BBAEMO COC(=O)C1([NH3+])CC(NC(=O)C2CC2)C1 ZINC000675073194 538505048 /nfs/dbraw/zinc/50/50/48/538505048.db2.gz GWNAAPQYLQULRA-UHFFFAOYSA-N 1 1 212.249 -0.455 10 0 BBAEMO COC(=O)C1([NH3+])CC(NC(=O)C2CCC2)C1 ZINC000675073195 538505029 /nfs/dbraw/zinc/50/50/29/538505029.db2.gz HANRYERAHGIFCZ-UHFFFAOYSA-N 1 1 226.276 -0.064 10 0 BBAEMO COC(=O)[C@@]12C[C@]1(CN[C@@H](C)CO)C[NH2+]C2 ZINC000675073196 538505139 /nfs/dbraw/zinc/50/51/39/538505139.db2.gz HEYWFIJSOKCIFN-GDPRMGEGSA-N 1 1 228.292 -0.891 10 0 BBAEMO COC(=O)[C@@]12C[C@]1(CN[C@H](C)CO)C[NH2+]C2 ZINC000675073198 538505310 /nfs/dbraw/zinc/50/53/10/538505310.db2.gz HEYWFIJSOKCIFN-IEBDPFPHSA-N 1 1 228.292 -0.891 10 0 BBAEMO CCCNC(=O)NC1CC([NH3+])(C(=O)OC)C1 ZINC000675073242 538505003 /nfs/dbraw/zinc/50/50/03/538505003.db2.gz HVSSHNFLTCOOLC-UHFFFAOYSA-N 1 1 229.280 -0.272 10 0 BBAEMO CCNC(=O)NC1CC([NH3+])(C(=O)OC)C1 ZINC000675073292 538504956 /nfs/dbraw/zinc/50/49/56/538504956.db2.gz INLURQLVFXMJDT-UHFFFAOYSA-N 1 1 215.253 -0.662 10 0 BBAEMO COC(=O)C1([NH3+])CC(NC(=O)C(C)C)C1 ZINC000675073459 538506136 /nfs/dbraw/zinc/50/61/36/538506136.db2.gz JAMHFJARRFBBOU-UHFFFAOYSA-N 1 1 214.265 -0.209 10 0 BBAEMO COCCC(=O)NC1CC([NH3+])(C(=O)OC)C1 ZINC000675073801 641323771 /nfs/dbraw/zinc/32/37/71/641323771.db2.gz NLSQTGMIGLIGQM-UHFFFAOYSA-N 1 1 230.264 -0.828 10 0 BBAEMO COC(=O)C1([NH3+])CC(NC(=O)NC(C)C)C1 ZINC000675074115 538507003 /nfs/dbraw/zinc/50/70/03/538507003.db2.gz ROGAHSUHCHYKES-UHFFFAOYSA-N 1 1 229.280 -0.273 10 0 BBAEMO CCCC(=O)NC1CC([NH3+])(C(=O)OC)C1 ZINC000675074255 641324589 /nfs/dbraw/zinc/32/45/89/641324589.db2.gz SASKGHLJSXMVOL-UHFFFAOYSA-N 1 1 214.265 -0.064 10 0 BBAEMO COC(=O)C1([NH3+])CC(NS(=O)(=O)C2CC2)C1 ZINC000675074260 641324312 /nfs/dbraw/zinc/32/43/12/641324312.db2.gz SFZGQYBMMDVUMK-UHFFFAOYSA-N 1 1 248.304 -0.899 10 0 BBAEMO C[NH+](C)CC(=O)N1CCCc2c(CO)[nH]nc21 ZINC000675074400 641325759 /nfs/dbraw/zinc/32/57/59/641325759.db2.gz VRYJXOSGPDAMMQ-UHFFFAOYSA-N 1 1 238.291 -0.257 10 0 BBAEMO CC(C)N1C[C@H]2C[NH2+]CCN2S1(=O)=O ZINC000675075799 538509481 /nfs/dbraw/zinc/50/94/81/538509481.db2.gz VEQSFUDCMHCQMG-MRVPVSSYSA-N 1 1 219.310 -0.771 10 0 BBAEMO CC(C)N1C[C@@H]2C[NH2+]CCN2S1(=O)=O ZINC000675075805 538509964 /nfs/dbraw/zinc/50/99/64/538509964.db2.gz VEQSFUDCMHCQMG-QMMMGPOBSA-N 1 1 219.310 -0.771 10 0 BBAEMO c1nn2c(c1[C@H]1C[NH2+]CCN1)CNCC2 ZINC000675076435 538511314 /nfs/dbraw/zinc/51/13/14/538511314.db2.gz NRMATBCUWFRLJD-SECBINFHSA-N 1 1 207.281 -0.780 10 0 BBAEMO c1nn2c(c1[C@@H]1C[NH2+]CCN1)CNCC2 ZINC000675076439 538511766 /nfs/dbraw/zinc/51/17/66/538511766.db2.gz NRMATBCUWFRLJD-VIFPVBQESA-N 1 1 207.281 -0.780 10 0 BBAEMO CCn1nnnc1CC1=C[C@@H]([NH3+])CNC1 ZINC000675077189 538512252 /nfs/dbraw/zinc/51/22/52/538512252.db2.gz AGLPSBPTPFKYAY-MRVPVSSYSA-N 1 1 208.269 -0.908 10 0 BBAEMO CCn1nnnc1CC1=C[C@H]([NH3+])CNC1 ZINC000675077190 538512296 /nfs/dbraw/zinc/51/22/96/538512296.db2.gz AGLPSBPTPFKYAY-QMMMGPOBSA-N 1 1 208.269 -0.908 10 0 BBAEMO COc1nccnc1C1=C[C@@H](N)C[NH2+]C1 ZINC000675077215 538512779 /nfs/dbraw/zinc/51/27/79/538512779.db2.gz AZAKTRQZIZFEDL-MRVPVSSYSA-N 1 1 206.249 -0.201 10 0 BBAEMO COc1nccnc1C1=C[C@H](N)C[NH2+]C1 ZINC000675077216 538512055 /nfs/dbraw/zinc/51/20/55/538512055.db2.gz AZAKTRQZIZFEDL-QMMMGPOBSA-N 1 1 206.249 -0.201 10 0 BBAEMO COc1cnc(C2=C[C@@H](N)C[NH2+]C2)cn1 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CCOC(=O)C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000708822766 712199958 /nfs/dbraw/zinc/19/99/58/712199958.db2.gz PDCCSNBDIIMLTP-OUAUKWLOSA-N 1 1 245.319 -0.139 10 0 BBAEMO C[C@H]1CN(CCN2CCOC2=O)C[C@@H]1C[NH3+] ZINC000708852848 712201317 /nfs/dbraw/zinc/20/13/17/712201317.db2.gz BYSJOJAPCAVBSE-UWVGGRQHSA-N 1 1 227.308 -0.035 10 0 BBAEMO C[C@H]1C[N@@H+](CCN2CCOC2=O)C[C@@H]1C[NH3+] ZINC000708852848 712201316 /nfs/dbraw/zinc/20/13/16/712201316.db2.gz BYSJOJAPCAVBSE-UWVGGRQHSA-N 1 1 227.308 -0.035 10 0 BBAEMO C[C@H]1CN(CCN2CCOC2=O)C[C@H]1C[NH3+] ZINC000708852850 712201279 /nfs/dbraw/zinc/20/12/79/712201279.db2.gz BYSJOJAPCAVBSE-VHSXEESVSA-N 1 1 227.308 -0.035 10 0 BBAEMO C[C@H]1C[N@@H+](CCN2CCOC2=O)C[C@H]1C[NH3+] ZINC000708852850 712201278 /nfs/dbraw/zinc/20/12/78/712201278.db2.gz BYSJOJAPCAVBSE-VHSXEESVSA-N 1 1 227.308 -0.035 10 0 BBAEMO C[C@@H]1CN(CCN2CCOC2=O)C[C@@H]1C[NH3+] ZINC000708852852 712201228 /nfs/dbraw/zinc/20/12/28/712201228.db2.gz BYSJOJAPCAVBSE-ZJUUUORDSA-N 1 1 227.308 -0.035 10 0 BBAEMO C[C@@H]1C[N@@H+](CCN2CCOC2=O)C[C@@H]1C[NH3+] ZINC000708852852 712201226 /nfs/dbraw/zinc/20/12/26/712201226.db2.gz BYSJOJAPCAVBSE-ZJUUUORDSA-N 1 1 227.308 -0.035 10 0 BBAEMO CO[C@@H]1C[N@@H+](C[C@H](C)O)[C@](C)(CN)C1 ZINC000708933972 712203348 /nfs/dbraw/zinc/20/33/48/712203348.db2.gz KAHWUSOQUNXODO-GUBZILKMSA-N 1 1 202.298 -0.195 10 0 BBAEMO CO[C@@H]1C[N@H+](C[C@H](C)O)[C@](C)(CN)C1 ZINC000708933972 712203346 /nfs/dbraw/zinc/20/33/46/712203346.db2.gz KAHWUSOQUNXODO-GUBZILKMSA-N 1 1 202.298 -0.195 10 0 BBAEMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)[C@@](C)(CN)C1 ZINC000708933979 712203668 /nfs/dbraw/zinc/20/36/68/712203668.db2.gz KAHWUSOQUNXODO-KXUCPTDWSA-N 1 1 202.298 -0.195 10 0 BBAEMO CO[C@@H]1C[N@H+](C[C@@H](C)O)[C@@](C)(CN)C1 ZINC000708933979 712203666 /nfs/dbraw/zinc/20/36/66/712203666.db2.gz KAHWUSOQUNXODO-KXUCPTDWSA-N 1 1 202.298 -0.195 10 0 BBAEMO CO[C@@H]1C[N@@H+](C[C@H](C)O)[C@@](C)(CN)C1 ZINC000708933981 712203480 /nfs/dbraw/zinc/20/34/80/712203480.db2.gz KAHWUSOQUNXODO-LPEHRKFASA-N 1 1 202.298 -0.195 10 0 BBAEMO CO[C@@H]1C[N@H+](C[C@H](C)O)[C@@](C)(CN)C1 ZINC000708933981 712203479 /nfs/dbraw/zinc/20/34/79/712203479.db2.gz KAHWUSOQUNXODO-LPEHRKFASA-N 1 1 202.298 -0.195 10 0 BBAEMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)[C@](C)(CN)C1 ZINC000708933985 712203263 /nfs/dbraw/zinc/20/32/63/712203263.db2.gz KAHWUSOQUNXODO-UTLUCORTSA-N 1 1 202.298 -0.195 10 0 BBAEMO CO[C@@H]1C[N@H+](C[C@@H](C)O)[C@](C)(CN)C1 ZINC000708933985 712203261 /nfs/dbraw/zinc/20/32/61/712203261.db2.gz KAHWUSOQUNXODO-UTLUCORTSA-N 1 1 202.298 -0.195 10 0 BBAEMO COC(C[N@@H+](C)C[C@@H]1CN(C)CCO1)OC ZINC000709489058 712222629 /nfs/dbraw/zinc/22/26/29/712222629.db2.gz RDVSDZUYAIKVFH-JTQLQIEISA-N 1 1 232.324 -0.132 10 0 BBAEMO COC(C[N@@H+](C)C[C@H]1CN(C)CCO1)OC ZINC000709489062 712222785 /nfs/dbraw/zinc/22/27/85/712222785.db2.gz RDVSDZUYAIKVFH-SNVBAGLBSA-N 1 1 232.324 -0.132 10 0 BBAEMO C[C@@H](C(N)=O)[N@@H+](C)CCC1OCCO1 ZINC000710043934 712243081 /nfs/dbraw/zinc/24/30/81/712243081.db2.gz OQKKGSHKNQPDNZ-ZETCQYMHSA-N 1 1 202.254 -0.445 10 0 BBAEMO CCOC(=O)COCC[N@@H+](C)[C@H](C)C(N)=O ZINC000711061008 712277225 /nfs/dbraw/zinc/27/72/25/712277225.db2.gz DVOBPGNPAOGSQS-MRVPVSSYSA-N 1 1 232.280 -0.628 10 0 BBAEMO CCOC(=O)C[C@@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC000711063184 712277295 /nfs/dbraw/zinc/27/72/95/712277295.db2.gz LWPWZJJCXQRFGF-HTQZYQBOSA-N 1 1 232.280 -0.894 10 0 BBAEMO CCOC(=O)C[C@@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC000711063184 712277294 /nfs/dbraw/zinc/27/72/94/712277294.db2.gz LWPWZJJCXQRFGF-HTQZYQBOSA-N 1 1 232.280 -0.894 10 0 BBAEMO CCOC(=O)C[C@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC000711063185 712277600 /nfs/dbraw/zinc/27/76/00/712277600.db2.gz LWPWZJJCXQRFGF-SFYZADRCSA-N 1 1 232.280 -0.894 10 0 BBAEMO CCOC(=O)C[C@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC000711063185 712277597 /nfs/dbraw/zinc/27/75/97/712277597.db2.gz LWPWZJJCXQRFGF-SFYZADRCSA-N 1 1 232.280 -0.894 10 0 BBAEMO CCOC(=O)/C=C/C[N@@H+](C)[C@H](C)C(N)=O ZINC000711064256 712277348 /nfs/dbraw/zinc/27/73/48/712277348.db2.gz RXYIQBDFDSOFCY-HQZHTGGTSA-N 1 1 214.265 -0.089 10 0 BBAEMO CCOC(=O)/C=C/C[N@H+](C)[C@H](C)C(N)=O ZINC000711064256 712277345 /nfs/dbraw/zinc/27/73/45/712277345.db2.gz RXYIQBDFDSOFCY-HQZHTGGTSA-N 1 1 214.265 -0.089 10 0 BBAEMO CCOC(=O)/C=C\C[N@@H+](C)[C@H](C)C(N)=O ZINC000711064257 712277167 /nfs/dbraw/zinc/27/71/67/712277167.db2.gz RXYIQBDFDSOFCY-RPSMYOMKSA-N 1 1 214.265 -0.089 10 0 BBAEMO CCOC(=O)/C=C\C[N@H+](C)[C@H](C)C(N)=O ZINC000711064257 712277166 /nfs/dbraw/zinc/27/71/66/712277166.db2.gz RXYIQBDFDSOFCY-RPSMYOMKSA-N 1 1 214.265 -0.089 10 0 BBAEMO COC(=O)/C(C)=C\C[N@@H+](C)[C@H](C)C(N)=O ZINC000711065197 712277982 /nfs/dbraw/zinc/27/79/82/712277982.db2.gz WAHASFGLDRNEEQ-GRKOMRHMSA-N 1 1 214.265 -0.089 10 0 BBAEMO COC(=O)/C(C)=C\C[N@H+](C)[C@H](C)C(N)=O ZINC000711065197 712277979 /nfs/dbraw/zinc/27/79/79/712277979.db2.gz WAHASFGLDRNEEQ-GRKOMRHMSA-N 1 1 214.265 -0.089 10 0 BBAEMO COC(=O)/C(C)=C/C[N@@H+](C)[C@H](C)C(N)=O ZINC000711065201 712278169 /nfs/dbraw/zinc/27/81/69/712278169.db2.gz WAHASFGLDRNEEQ-WVXIBAHESA-N 1 1 214.265 -0.089 10 0 BBAEMO COC(=O)/C(C)=C/C[N@H+](C)[C@H](C)C(N)=O ZINC000711065201 712278168 /nfs/dbraw/zinc/27/81/68/712278168.db2.gz WAHASFGLDRNEEQ-WVXIBAHESA-N 1 1 214.265 -0.089 10 0 BBAEMO CCOC(=O)/C=C/C[N@@H+](C)[C@@H](C)C(N)=O ZINC000711097395 712280050 /nfs/dbraw/zinc/28/00/50/712280050.db2.gz RXYIQBDFDSOFCY-GJIOHYHPSA-N 1 1 214.265 -0.089 10 0 BBAEMO CCOC(=O)/C=C/C[N@H+](C)[C@@H](C)C(N)=O ZINC000711097395 712280048 /nfs/dbraw/zinc/28/00/48/712280048.db2.gz RXYIQBDFDSOFCY-GJIOHYHPSA-N 1 1 214.265 -0.089 10 0 BBAEMO CCOC(=O)/C=C\C[N@@H+](C)[C@@H](C)C(N)=O ZINC000711097396 712280289 /nfs/dbraw/zinc/28/02/89/712280289.db2.gz RXYIQBDFDSOFCY-SLGIHZDVSA-N 1 1 214.265 -0.089 10 0 BBAEMO CCOC(=O)/C=C\C[N@H+](C)[C@@H](C)C(N)=O ZINC000711097396 712280288 /nfs/dbraw/zinc/28/02/88/712280288.db2.gz RXYIQBDFDSOFCY-SLGIHZDVSA-N 1 1 214.265 -0.089 10 0 BBAEMO COC(=O)/C(C)=C/C[N@@H+](C)[C@@H](C)C(N)=O ZINC000711098998 712280324 /nfs/dbraw/zinc/28/03/24/712280324.db2.gz WAHASFGLDRNEEQ-IVGLGHLBSA-N 1 1 214.265 -0.089 10 0 BBAEMO COC(=O)/C(C)=C/C[N@H+](C)[C@@H](C)C(N)=O ZINC000711098998 712280323 /nfs/dbraw/zinc/28/03/23/712280323.db2.gz WAHASFGLDRNEEQ-IVGLGHLBSA-N 1 1 214.265 -0.089 10 0 BBAEMO COC(=O)/C(C)=C\C[N@@H+](C)[C@@H](C)C(N)=O ZINC000711099001 712280202 /nfs/dbraw/zinc/28/02/02/712280202.db2.gz WAHASFGLDRNEEQ-TVSKSKRASA-N 1 1 214.265 -0.089 10 0 BBAEMO COC(=O)/C(C)=C\C[N@H+](C)[C@@H](C)C(N)=O ZINC000711099001 712280201 /nfs/dbraw/zinc/28/02/01/712280201.db2.gz WAHASFGLDRNEEQ-TVSKSKRASA-N 1 1 214.265 -0.089 10 0 BBAEMO CCOC(=O)COCC[N@@H+](C)[C@@H](C)C(N)=O ZINC000711100764 712280227 /nfs/dbraw/zinc/28/02/27/712280227.db2.gz DVOBPGNPAOGSQS-QMMMGPOBSA-N 1 1 232.280 -0.628 10 0 BBAEMO CCOC(=O)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC000711102127 712280797 /nfs/dbraw/zinc/28/07/97/712280797.db2.gz LWPWZJJCXQRFGF-JGVFFNPUSA-N 1 1 232.280 -0.894 10 0 BBAEMO CCOC(=O)C[C@@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC000711102127 712280795 /nfs/dbraw/zinc/28/07/95/712280795.db2.gz LWPWZJJCXQRFGF-JGVFFNPUSA-N 1 1 232.280 -0.894 10 0 BBAEMO CCOC(=O)C[C@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC000711102131 712280767 /nfs/dbraw/zinc/28/07/67/712280767.db2.gz LWPWZJJCXQRFGF-YUMQZZPRSA-N 1 1 232.280 -0.894 10 0 BBAEMO CCOC(=O)C[C@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC000711102131 712280765 /nfs/dbraw/zinc/28/07/65/712280765.db2.gz LWPWZJJCXQRFGF-YUMQZZPRSA-N 1 1 232.280 -0.894 10 0 BBAEMO C[C@H](C(N)=O)[N@@H+](C)Cc1ccc(N)nc1 ZINC000711149756 712286274 /nfs/dbraw/zinc/28/62/74/712286274.db2.gz DKYMWDQJGPETOW-SSDOTTSWSA-N 1 1 208.265 -0.031 10 0 BBAEMO C[C@H](C(N)=O)[N@H+](C)Cc1ccc(N)nc1 ZINC000711149756 712286272 /nfs/dbraw/zinc/28/62/72/712286272.db2.gz DKYMWDQJGPETOW-SSDOTTSWSA-N 1 1 208.265 -0.031 10 0 BBAEMO OC[C@H]1C[C@H](O)C[N@H+]1CCOC1CC1 ZINC000711670909 712315879 /nfs/dbraw/zinc/31/58/79/712315879.db2.gz NMYDTZOQPJIMLQ-BDAKNGLRSA-N 1 1 201.266 -0.407 10 0 BBAEMO OC[C@@H]1C[C@@H](O)C[N@H+]1CCOC1CC1 ZINC000711670910 712315863 /nfs/dbraw/zinc/31/58/63/712315863.db2.gz NMYDTZOQPJIMLQ-DTWKUNHWSA-N 1 1 201.266 -0.407 10 0 BBAEMO OC[C@@H]1C[C@H](O)C[N@H+]1CCOC1CC1 ZINC000711670912 712315891 /nfs/dbraw/zinc/31/58/91/712315891.db2.gz NMYDTZOQPJIMLQ-IUCAKERBSA-N 1 1 201.266 -0.407 10 0 BBAEMO OC[C@H]1C[C@@H](O)C[N@H+]1CCOC1CC1 ZINC000711670914 712315871 /nfs/dbraw/zinc/31/58/71/712315871.db2.gz NMYDTZOQPJIMLQ-RKDXNWHRSA-N 1 1 201.266 -0.407 10 0 BBAEMO OC[C@@H]1C[N@@H+](CCOC2CC2)CCO1 ZINC000711783771 712329422 /nfs/dbraw/zinc/32/94/22/712329422.db2.gz AIZDEXHWLNILAQ-JTQLQIEISA-N 1 1 201.266 -0.142 10 0 BBAEMO OC[C@@H]1C[N@H+](CCOC2CC2)CCO1 ZINC000711783771 712329421 /nfs/dbraw/zinc/32/94/21/712329421.db2.gz AIZDEXHWLNILAQ-JTQLQIEISA-N 1 1 201.266 -0.142 10 0 BBAEMO OC[C@H]1C[N@@H+](CCOC2CC2)CCO1 ZINC000711783773 712329231 /nfs/dbraw/zinc/32/92/31/712329231.db2.gz AIZDEXHWLNILAQ-SNVBAGLBSA-N 1 1 201.266 -0.142 10 0 BBAEMO OC[C@H]1C[N@H+](CCOC2CC2)CCO1 ZINC000711783773 712329228 /nfs/dbraw/zinc/32/92/28/712329228.db2.gz AIZDEXHWLNILAQ-SNVBAGLBSA-N 1 1 201.266 -0.142 10 0 BBAEMO OC[C@@H]1COCC[N@H+]1CCOC1CC1 ZINC000711787543 712330530 /nfs/dbraw/zinc/33/05/30/712330530.db2.gz SQHGIRUUQSLRKA-SECBINFHSA-N 1 1 201.266 -0.142 10 0 BBAEMO OC[C@@H]1COCC[N@@H+]1CCOC1CC1 ZINC000711787543 712330528 /nfs/dbraw/zinc/33/05/28/712330528.db2.gz SQHGIRUUQSLRKA-SECBINFHSA-N 1 1 201.266 -0.142 10 0 BBAEMO OC[C@H]1COCC[N@H+]1CCOC1CC1 ZINC000711787545 712330501 /nfs/dbraw/zinc/33/05/01/712330501.db2.gz SQHGIRUUQSLRKA-VIFPVBQESA-N 1 1 201.266 -0.142 10 0 BBAEMO OC[C@H]1COCC[N@@H+]1CCOC1CC1 ZINC000711787545 712330500 /nfs/dbraw/zinc/33/05/00/712330500.db2.gz SQHGIRUUQSLRKA-VIFPVBQESA-N 1 1 201.266 -0.142 10 0 BBAEMO NC(=O)[C@@]1(O)CCC[N@@H+](CCOC2CC2)C1 ZINC000711788222 712330818 /nfs/dbraw/zinc/33/08/18/712330818.db2.gz VWYKRLBKVKGPNU-LLVKDONJSA-N 1 1 228.292 -0.522 10 0 BBAEMO NC(=O)[C@]1(O)CCC[N@@H+](CCOC2CC2)C1 ZINC000711788223 712330975 /nfs/dbraw/zinc/33/09/75/712330975.db2.gz VWYKRLBKVKGPNU-NSHDSACASA-N 1 1 228.292 -0.522 10 0 BBAEMO COC(=O)[C@H]1C[N@@H+](CCn2cnnn2)C[C@H]1C ZINC000711808665 712329510 /nfs/dbraw/zinc/32/95/10/712329510.db2.gz HJICQVUHYGRGOX-BDAKNGLRSA-N 1 1 239.279 -0.586 10 0 BBAEMO COC(=O)[C@@H]1C[N@@H+](CCn2cnnn2)C[C@@H]1C ZINC000711808667 712329568 /nfs/dbraw/zinc/32/95/68/712329568.db2.gz HJICQVUHYGRGOX-DTWKUNHWSA-N 1 1 239.279 -0.586 10 0 BBAEMO COC(=O)[C@H]1C[N@@H+](CCn2cnnn2)C[C@@H]1C ZINC000711808668 712329408 /nfs/dbraw/zinc/32/94/08/712329408.db2.gz HJICQVUHYGRGOX-IUCAKERBSA-N 1 1 239.279 -0.586 10 0 BBAEMO COC(=O)[C@H]1CCC[N@@H+](CCn2cnnn2)C1 ZINC000711810032 712329445 /nfs/dbraw/zinc/32/94/45/712329445.db2.gz NFOAFJIAVHNWCI-VIFPVBQESA-N 1 1 239.279 -0.442 10 0 BBAEMO COC(=O)[C@@H]1CCC[N@@H+](CCn2cnnn2)C1 ZINC000711818213 712332478 /nfs/dbraw/zinc/33/24/78/712332478.db2.gz NFOAFJIAVHNWCI-SECBINFHSA-N 1 1 239.279 -0.442 10 0 BBAEMO CC(=O)[C@H]1CCC[N@@H+](CCn2cnnn2)C1 ZINC000711831652 712333284 /nfs/dbraw/zinc/33/32/84/712333284.db2.gz NWXNNUGJEWFPSN-JTQLQIEISA-N 1 1 223.280 -0.026 10 0 BBAEMO CC(=O)[C@@H]1CCC[N@@H+](CCn2cnnn2)C1 ZINC000711831654 712333227 /nfs/dbraw/zinc/33/32/27/712333227.db2.gz NWXNNUGJEWFPSN-SNVBAGLBSA-N 1 1 223.280 -0.026 10 0 BBAEMO O=C1NC[C@H](C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)O1 ZINC000712260696 712344461 /nfs/dbraw/zinc/34/44/61/712344461.db2.gz BSOFQMIMKWQERL-DOLQZWNJSA-N 1 1 226.276 -0.203 10 0 BBAEMO O=C1NC[C@@H](C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)O1 ZINC000712260698 712344293 /nfs/dbraw/zinc/34/42/93/712344293.db2.gz BSOFQMIMKWQERL-XFWSIPNHSA-N 1 1 226.276 -0.203 10 0 BBAEMO C[C@@H]1C[N@@H+](CCn2cnnn2)C[C@H]1CO ZINC000712532666 712442072 /nfs/dbraw/zinc/44/20/72/712442072.db2.gz NURICVGKRDWEAL-BDAKNGLRSA-N 1 1 211.269 -0.767 10 0 BBAEMO C[C@H]1CC[C@@H](O)C[N@H+]1CCn1cnnn1 ZINC000712534801 712441994 /nfs/dbraw/zinc/44/19/94/712441994.db2.gz UABSBDRTFDXGIP-DTWKUNHWSA-N 1 1 211.269 -0.482 10 0 BBAEMO C[C@H]1CC[C@H](O)C[N@H+]1CCn1cnnn1 ZINC000712534802 712442284 /nfs/dbraw/zinc/44/22/84/712442284.db2.gz UABSBDRTFDXGIP-IUCAKERBSA-N 1 1 211.269 -0.482 10 0 BBAEMO O[C@@H]1CC[C@H]2C[N@@H+](CCn3cnnn3)C[C@@H]2C1 ZINC000712534828 712442076 /nfs/dbraw/zinc/44/20/76/712442076.db2.gz UIMRNCYVFZVFBE-GARJFASQSA-N 1 1 237.307 -0.234 10 0 BBAEMO O[C@@H]1CC[C@@H]2C[N@@H+](CCn3cnnn3)C[C@H]2C1 ZINC000712534829 712442132 /nfs/dbraw/zinc/44/21/32/712442132.db2.gz UIMRNCYVFZVFBE-GMTAPVOTSA-N 1 1 237.307 -0.234 10 0 BBAEMO O[C@@H]1CC[C@H]2C[N@@H+](CCn3cnnn3)C[C@H]2C1 ZINC000712534830 712442152 /nfs/dbraw/zinc/44/21/52/712442152.db2.gz UIMRNCYVFZVFBE-HBNTYKKESA-N 1 1 237.307 -0.234 10 0 BBAEMO CN(CCn1cnnn1)[C@H]1CCC[NH2+]CC1 ZINC000712553289 712445281 /nfs/dbraw/zinc/44/52/81/712445281.db2.gz VXKDBYFOGSHQRJ-JTQLQIEISA-N 1 1 224.312 -0.253 10 0 BBAEMO CN(CCn1cnnn1)[C@@H]1CCC[NH2+]CC1 ZINC000712553290 712445053 /nfs/dbraw/zinc/44/50/53/712445053.db2.gz VXKDBYFOGSHQRJ-SNVBAGLBSA-N 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710734825 /nfs/dbraw/zinc/73/48/25/710734825.db2.gz CVXIFMICZXTALY-ZJUUUORDSA-N 1 1 225.292 -0.344 10 0 BBAEMO Cn1nc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1N ZINC000725143164 711655260 /nfs/dbraw/zinc/65/52/60/711655260.db2.gz HCFJENCMZKZNJN-SECBINFHSA-N 1 1 249.318 -0.078 10 0 BBAEMO Cn1nc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1N ZINC000725143165 711655287 /nfs/dbraw/zinc/65/52/87/711655287.db2.gz HCFJENCMZKZNJN-VIFPVBQESA-N 1 1 249.318 -0.078 10 0 BBAEMO CN(C)CC(=O)N1CCC[NH2+]CC12CC2 ZINC000725241628 537981716 /nfs/dbraw/zinc/98/17/16/537981716.db2.gz KGJRDKLUVHPVRJ-UHFFFAOYSA-N 1 1 211.309 -0.098 10 0 BBAEMO CN(C)CC(=O)N1CCC[NH2+]C2(CC2)C1 ZINC000725241945 537980610 /nfs/dbraw/zinc/98/06/10/537980610.db2.gz XIGUAZKEZAVHDA-UHFFFAOYSA-N 1 1 211.309 -0.098 10 0 BBAEMO CS(=O)(=O)c1cnn(CC(F)(F)C[NH3+])c1 ZINC000725242123 537983762 /nfs/dbraw/zinc/98/37/62/537983762.db2.gz GWPVPFWUJFWGAA-UHFFFAOYSA-N 1 1 239.247 -0.119 10 0 BBAEMO CS(=O)(=O)CCCn1c[nH+]c(N)c1 ZINC000725248675 566301968 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