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435.159 -0.233 1 0 IBAFML CCSc1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)n1 ZINC000034867631 563088398 /nfs/dbraw/zinc/08/83/98/563088398.db2.gz IYIDIBWNNKKJSO-PEBGCTIMSA-N -2 1 448.283 -0.799 1 0 IBAFML CCSc1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)n1 ZINC000034867631 563088397 /nfs/dbraw/zinc/08/83/97/563088397.db2.gz IYIDIBWNNKKJSO-PEBGCTIMSA-N -2 1 448.283 -0.799 1 0 IBAFML Nc1ccn([C@@H]2C=C[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)O2)c(=O)n1 ZINC000040718694 563106039 /nfs/dbraw/zinc/10/60/39/563106039.db2.gz ODABMYZCVVKNPM-SVRRBLITSA-N -3 1 449.142 -0.378 1 0 IBAFML Nc1ccn([C@@H]2C=C[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)n1 ZINC000040718694 563106038 /nfs/dbraw/zinc/10/60/38/563106038.db2.gz ODABMYZCVVKNPM-SVRRBLITSA-N -3 1 449.142 -0.378 1 0 IBAFML Cc1ccc(S(=O)(=O)N(CCOCP(=O)([O-])[O-])Cn2ccc(=O)[nH]c2=O)cc1 ZINC000043060205 563117586 /nfs/dbraw/zinc/11/75/86/563117586.db2.gz ODJAUQMNTOVEJT-UHFFFAOYSA-N -2 1 433.379 -0.355 1 0 IBAFML Cc1ccc(S(=O)(=O)N(CCOCP(=O)([O-])[O-])Cn2cc(C)c(=O)[nH]c2=O)cc1 ZINC000043066684 563117934 /nfs/dbraw/zinc/11/79/34/563117934.db2.gz FSJQXPJTAXREIT-UHFFFAOYSA-N -2 1 447.406 -0.046 1 0 IBAFML Cc1ccc(S(=O)(=O)N(CCOCP(=O)([O-])[O-])Cn2ccc(N)nc2=O)cc1 ZINC000043073547 563118137 /nfs/dbraw/zinc/11/81/37/563118137.db2.gz VRSNSPOLXXCACA-UHFFFAOYSA-N -2 1 432.395 -0.066 1 0 IBAFML CO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]1O[C@@H](n2ccc(=S)[n-]c2=O)[C@H](O)[C@@H]1O ZINC000045253366 563126830 /nfs/dbraw/zinc/12/68/30/563126830.db2.gz YNJCCMWVLMMBFV-ZOQUXTDFSA-N -3 1 434.256 -0.182 1 0 IBAFML O=c1ccn(COCCCO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)c(=O)[nH]1 ZINC000045299256 563128970 /nfs/dbraw/zinc/12/89/70/563128970.db2.gz RKJOHCSAWASLPC-UHFFFAOYSA-N -3 1 440.131 -0.756 1 0 IBAFML O=c1ccn(COCCCO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)c(=O)[nH]1 ZINC000045299256 563128969 /nfs/dbraw/zinc/12/89/69/563128969.db2.gz RKJOHCSAWASLPC-UHFFFAOYSA-N -3 1 440.131 -0.756 1 0 IBAFML NC(=O)c1[nH]nc([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c1OCc1ccccc1 ZINC000049019099 563135494 /nfs/dbraw/zinc/13/54/94/563135494.db2.gz YHQURJZKAPZVPJ-OBEQPXDXSA-N -2 1 429.322 -0.641 1 0 IBAFML Nc1nc(N)c(NC(=O)Nc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c(=O)[nH]1 ZINC000095920734 563195013 /nfs/dbraw/zinc/19/50/13/563195013.db2.gz WBQDVZMETQWVQD-VIFPVBQESA-N -2 1 433.381 -0.374 1 0 in-vitro IBAFML CC1(C)O[C@@H]2[C@@H](COS(=O)(=O)[O-])O[C@@H](n3c4nc(N)[n-]c(=O)c4[nH]c3=S)[C@@H]2O1 ZINC000036388069 563094694 /nfs/dbraw/zinc/09/46/94/563094694.db2.gz LRMGTWMMFJIQKS-KQYNXXCUSA-N -2 1 435.440 -0.399 3 0 IBAFML