Upload QED/negative.csv

QED/negative.csv

@@ -0,0 +1,151 @@
+smiles,score
+CN(Cc1ccccc1)Cc1ccn(-c2cc3nc(O)c(O)nc3cc2[N+](=O)[O-])c1,0.3729162334902097
+CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-n2cccc2)cc1,0.3485030684096857
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+CCC(CSCc1c2c3c(c(OCc4ccc(-c5ccccc5)cn4)ccc3n1Cc1ccc(Cl)cc1)CC(C)S2)C(=O)O,0.1462736351811682
+CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1,0.20241323233167
+Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](C)c1ccc(Cl)s1,0.4547314706277925
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+COc1ccc(C)cc1Nc1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-],0.3669429956509805
+O=C(c1cc2ccccc2[nH]1)c1cc2cc(OCCN3CCOCC3)ccc2[nH]1,0.4946049055208465
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