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575366881 /nfs/dbraw/zinc/36/68/81/575366881.db2.gz QJNWJLXSNKLGBK-LTIDMASMSA-N 0 0 386.470 -0.905 40 0 biogenic,in-vitro GBABRN O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCOCC1)Nc1ccc(F)cc1F ZINC000020464791 575366917 /nfs/dbraw/zinc/36/69/17/575366917.db2.gz SAVGHQJHYASEPJ-FXUDXRNXSA-N 0 0 387.383 -0.092 40 0 biogenic,in-vitro GBABRN COc1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCN(C)CC2)cc1 ZINC000020465131 575367335 /nfs/dbraw/zinc/36/73/35/575367335.db2.gz AGZOVYQFQNLZOR-VSZNYVQBSA-N 0 0 379.457 -0.838 40 0 biogenic,in-vitro GBABRN COc1cccc(NC(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCN(C)CC2)c1 ZINC000020465174 575367384 /nfs/dbraw/zinc/36/73/84/575367384.db2.gz ZLVLAXIBJQTNPO-VSZNYVQBSA-N 0 0 394.472 -0.447 40 0 biogenic,in-vitro GBABRN O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCc2ccccc2C1)N1CCOCC1 ZINC000020465210 575367470 /nfs/dbraw/zinc/36/74/70/575367470.db2.gz GYLZZBMVPKKJFD-YDZRNGNQSA-N 0 0 391.468 -0.424 40 0 biogenic,in-vitro GBABRN 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GBABRN O=CN1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccccc2)CC1 ZINC000020638725 207209558 /nfs/dbraw/zinc/20/95/58/207209558.db2.gz YLRVGKFJYVSLSS-MRXNPFEDSA-N 0 0 387.440 -0.884 40 0 GBABRN Cc1ccccc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)CN1CCN(C)CC1 ZINC000020638886 210355953 /nfs/dbraw/zinc/35/59/53/210355953.db2.gz IJYXKTRMIAXSFS-KRWDZBQOSA-N 0 0 387.484 -0.102 40 0 GBABRN Cc1ccccc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(C)CC1 ZINC000020638890 210356177 /nfs/dbraw/zinc/35/61/77/210356177.db2.gz IJYXKTRMIAXSFS-QGZVFWFLSA-N 0 0 387.484 -0.102 40 0 GBABRN NC(=O)C[C@@H]1N[C@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]21 ZINC000020758694 570279581 /nfs/dbraw/zinc/27/95/81/570279581.db2.gz PKCGZXQZMLKZHO-WLSVTFSOSA-N 0 0 398.419 -0.539 40 0 GBABRN COC(=O)C[C@H]1C(=O)NCCN1C(=O)CSc1nnnn1-c1ccccc1 ZINC000020800235 570281200 /nfs/dbraw/zinc/28/12/00/570281200.db2.gz ALUGAHPCEWHRLF-LBPRGKRZSA-N 0 0 390.425 -0.356 40 0 GBABRN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CSc1nnnn1-c1ccccc1 ZINC000020800240 570281399 /nfs/dbraw/zinc/28/13/99/570281399.db2.gz ALUGAHPCEWHRLF-GFCCVEGCSA-N 0 0 390.425 -0.356 40 0 GBABRN C[C@@H](O)[C@@H]1C(=O)N2C(C(=O)[O-])=C(S[C@@H]3C[NH2+][C@H](C(=O)N(C)C)C3)[C@@H](C)[C@@H]12 ZINC000021984184 570300789 /nfs/dbraw/zinc/30/07/89/570300789.db2.gz DMJNNHOOLUXYBV-XFVKVHEMSA-N 0 0 383.470 -0.308 40 0 GBABRN Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](CO)O2)c(I)n1 ZINC000021984766 207245126 /nfs/dbraw/zinc/24/51/26/207245126.db2.gz KZWDYKRBPAXQDR-KVQBGUIXSA-N 0 0 377.142 -0.346 40 0 GBABRN CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](COC(C)=O)O[C@H]1OC(C)=O ZINC000022046458 526908070 /nfs/dbraw/zinc/90/80/70/526908070.db2.gz OVPIZHVSWNOZMN-RFBLXINOSA-N 0 0 389.357 -0.794 40 0 GBABRN CC(C)NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000022228085 570308167 /nfs/dbraw/zinc/30/81/67/570308167.db2.gz BFWMZOTWGGTBRF-UHFFFAOYSA-N 0 0 383.470 -0.109 40 0 GBABRN COCCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000022228193 570308116 /nfs/dbraw/zinc/30/81/16/570308116.db2.gz OZTMHNCKAIPENQ-UHFFFAOYSA-N 0 0 385.442 -0.914 40 0 GBABRN COCCNC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000022228195 221555035 /nfs/dbraw/zinc/55/50/35/221555035.db2.gz NAAYIANLFQRQIU-UHFFFAOYSA-N 0 0 383.470 -0.108 40 0 GBABRN COCCNC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000022228200 207249811 /nfs/dbraw/zinc/24/98/11/207249811.db2.gz RCCPZCOJCOEDGW-UHFFFAOYSA-N 0 0 399.469 -0.871 40 0 GBABRN COCCCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000022228213 570308094 /nfs/dbraw/zinc/30/80/94/570308094.db2.gz DJUQCNZTFDQOBN-UHFFFAOYSA-N 0 0 399.469 -0.524 40 0 GBABRN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)N1CCCC1 ZINC000022228526 570308142 /nfs/dbraw/zinc/30/81/42/570308142.db2.gz DQALBJDCSQIQOO-UHFFFAOYSA-N 0 0 381.454 -0.054 40 0 GBABRN O=C(NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)N1CCCC1 ZINC000022228534 221554808 /nfs/dbraw/zinc/55/48/08/221554808.db2.gz AIWXNPIWLZUOFH-UHFFFAOYSA-N 0 0 395.481 -0.011 40 0 GBABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)NCCO ZINC000022249194 530077404 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0 GBABRN O=C1CSC(=O)N1[C@@H]1CCCC[C@H]1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O ZINC000028284041 530078305 /nfs/dbraw/zinc/07/83/05/530078305.db2.gz XWSKYFMRDAGPEK-HTQZYQBOSA-N 0 0 388.427 -0.240 40 0 GBABRN O=C1CSC(=O)N1[C@H]1CCCC[C@H]1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O ZINC000028284043 530078415 /nfs/dbraw/zinc/07/84/15/530078415.db2.gz XWSKYFMRDAGPEK-SFYZADRCSA-N 0 0 388.427 -0.240 40 0 GBABRN CC(=O)OC[C@@H]1O[C@@H](n2cnc3nc[nH]c(=O)c32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000030835848 206080982 /nfs/dbraw/zinc/08/09/82/206080982.db2.gz SKJOMNNMZRQLLM-YPHNTLSLSA-N 0 0 394.340 -0.557 40 0 GBABRN CC(=O)OC[C@H]1O[C@@H](n2cnc3nc[nH]c(=O)c32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000030835851 570624693 /nfs/dbraw/zinc/62/46/93/570624693.db2.gz SKJOMNNMZRQLLM-YGSHXTJESA-N 0 0 394.340 -0.557 40 0 GBABRN CC(=O)OC[C@H]1O[C@H](n2cnc3nc[nH]c(=O)c32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000030835856 570624796 /nfs/dbraw/zinc/62/47/96/570624796.db2.gz SKJOMNNMZRQLLM-KBNOKHGBSA-N 0 0 394.340 -0.557 40 0 GBABRN O=CN1CCN(C(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000030847393 570497682 /nfs/dbraw/zinc/49/76/82/570497682.db2.gz PUNFXXKFZUYIHJ-UHFFFAOYSA-N 0 0 381.454 -0.237 40 0 GBABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCN1CCOCC1)O2 ZINC000030944428 570501975 /nfs/dbraw/zinc/50/19/75/570501975.db2.gz XCLDDHQCXQRKGI-MRXNPFEDSA-N 0 0 383.470 -0.030 40 0 GBABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCCN1CCOCC1)O2 ZINC000030944431 207378744 /nfs/dbraw/zinc/37/87/44/207378744.db2.gz XCLDDHQCXQRKGI-INIZCTEOSA-N 0 0 383.470 -0.030 40 0 GBABRN O=C1OCc2cc3cccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c(O)c21 ZINC000031155317 206083960 /nfs/dbraw/zinc/08/39/60/206083960.db2.gz SGQJDTLFQCDZGS-UQEKQVNISA-N 0 0 378.333 -0.606 40 0 biogenic,in-vitro GBABRN CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000033836417 210655007 /nfs/dbraw/zinc/65/50/07/210655007.db2.gz LPTITAGPBXDDGR-YXMSTPNBSA-N 0 0 390.341 -0.367 40 0 GBABRN Cn1ccnc1SC(C(=O)N1CCN(C)CC1)C(=O)N1CCN(C)CC1 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