Upload tox21.csv

tox21.csv

@@ -1321,7 +1321,7 @@ Cc1ccc(C(C)OC(=O)C2(C)CCC(C(=O)O)C2(C)C)cc1.OCCNCCO,,,,,,,,0,,0,,
 CCOC(=O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O,,,,,,,,,,0,,
 O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2,,,,,,,,,,0,,
 Nc1ncnc2c1ncn2Cc1c(F)cccc1Cl,,,,,,,,0,,0,,
-NC(=O)NC1N=C(O[AlH3](O)O)NC1=O,,,,,,,,0,,0,,
+NC(=O)NC1N=C(O[Al](O)O)NC1=O,,,,,,,,0,,0,,
 COCCc1ccc(OCC2CO2)cc1,,,,,,,,0,,0,,
 C#Cc1ccc(-c2ccccc2F)cc1,,,,,,,,0,,0,,
 CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1,0,0,,1,,0,1,,0,0,1,
@@ -2289,14 +2289,14 @@ CCCC[Sn](CCCC)(CCCC)CCCC,0,,,0,,0,1,1,0,1,1,
 CC(C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,1,0,0,0,,0,0,1,0,0,1,
 CC1=C2[C@H](/C=C(\C)C(=O)O)CC[C@@H](C)[C@H]2[C@H](O)C1,0,0,0,0,0,0,0,0,0,0,0,0
 Cl[In](Cl)Cl,0,0,0,0,1,0,0,1,0,0,0,0
-O=CO[AlH3](OC=O)OC=O,0,0,0,0,0,0,0,0,0,0,,0
+O=CO[Al](OC=O)OC=O,0,0,0,0,0,0,0,0,0,0,,0
 CCCCOC(=O)CO,0,0,0,0,0,0,0,0,0,0,0,0
 CCCC(=O)[O-],0,0,0,0,0,0,0,,0,,0,0
 CN(C1CCCCC1)C1CCCCC1,0,0,0,0,0,0,0,0,0,0,0,0
 Cc1ccnc(N)c1,0,0,0,0,0,0,0,0,0,0,0,0
 CN(C)C(C)(C)CO,0,0,0,0,1,0,0,0,0,0,0,0
 CC(=O)CC(=O)Nc1ccc(S(=O)(=O)[O-])cc1,0,0,0,0,0,0,0,0,0,0,,0
-CC(=O)O[AlH3](O)O,0,0,0,0,0,0,0,0,0,0,0,0
+CC(=O)O[Al](O)O,0,0,0,0,0,0,0,0,0,0,0,0
 [As]#[In],0,0,0,0,,0,0,0,0,0,0,0
 CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1,0,0,0,0,0,0,0,0,0,0,0,0
 CN(C)CCCO[C@H]1[C@@H](C(O)CO)O[C@@H]2OC(C)(C)O[C@H]12,0,0,,0,0,0,0,0,0,0,0,0
@@ -3557,7 +3557,7 @@ NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O,0,0,0,0,0,0,0,,0,0,0,0
 CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1,0,0,0,0,0,0,0,0,0,0,,0
 O=C([O-])c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)[O-])cc(=O)c34)cccc2o1,0,0,0,0,0,0,0,0,0,0,,0
 Cc1ccccc1S(=O)(=O)[O-],0,0,0,0,0,0,0,0,0,0,0,0
-CC(=O)O[AlH3](O)OC(C)=O,0,0,0,0,1,0,0,0,0,0,0,0
+CC(=O)O[Al](O)OC(C)=O,0,0,0,0,1,0,0,0,0,0,0,0
 COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)O)C(=O)OC2,0,,,,,,,,0,0,,1
 CCCN(CC1CC1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],0,0,0,0,0,0,0,0,0,0,1,0
 C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,0,0,0,0,0,0,0,,0,,,0
@@ -4648,7 +4648,7 @@ CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21,0,0,,0,0,0,0,0,0,0,,0
 CC(CN1c2ccccc2Sc2ccc(S(=O)(=O)N(C)C)cc21)N(C)C,0,0,0,,0,0,0,,0,,,0
 O=C([O-])P(=O)([O-])[O-],0,0,0,0,1,1,0,0,0,0,0,0
 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
-CCCCO[AlH3](OCCCC)OCCCC,0,0,0,0,0,0,0,0,0,0,0,0
+CCCCO[Al](OCCCC)OCCCC,0,0,0,0,0,0,0,0,0,0,0,0
 C=CS(=O)(=O)[O-],0,0,0,0,0,0,0,0,0,0,0,0
 CN(C)CCOCCN(C)C,0,0,0,0,0,0,0,0,0,0,0,0
 C1=CCC2CC=CC2C1,0,0,0,0,0,0,0,,0,0,,0
@@ -5537,7 +5537,7 @@ CCCCCCCCCCCCCCCC(=O)OCCC1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1,0,0,0,0
 CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1,0,0,0,0,0,0,0,,0,,0,0
 NNc1nncc2ccccc12,0,0,1,,1,,0,1,0,1,0,0
 CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O,0,0,1,0,0,0,0,,0,,0,0
-O=S(=O)(OC[C@H]1O[C@H](O[C@]2(COS(=O)(=O)O[AlH3](O)O)O[C@H](COS(=O)(=O)O[AlH3](O)O)[C@@H](OS(=O)(=O)O[AlH3](O)O)[C@@H]2OS(=O)(=O)O[AlH3](O)O)[C@H](OS(=O)(=O)O[AlH3](O)O)[C@@H](OS(=O)(=O)O[AlH3](O)O)[C@@H]1OS(=O)(=O)O[AlH3](O)O)O[AlH3](O)O.O[AlH3](O)[AlH3](O)O.O[AlH3](O)[AlH3](O)O.O[AlH3](O)[AlH3](O)O.O[AlH3](O)[AlH3](O)O,0,0,0,0,1,1,0,0,0,0,0,0
+O=S(=O)(OC[C@H]1O[C@H](O[C@]2(COS(=O)(=O)O[Al](O)O)O[C@H](COS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]2OS(=O)(=O)O[Al](O)O)[C@H](OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]1OS(=O)(=O)O[Al](O)O)O[Al](O)O.O[Al](O)[Al](O)O.O[Al](O)[Al](O)O.O[Al](O)[Al](O)O.O[Al](O)[Al](O)O,0,0,0,0,1,1,0,0,0,0,0,0
 CC(=O)OCCN(CCOC(C)=O)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2C#N)cc1,0,0,1,0,0,,,1,0,0,1,0
 CCCCCCCCCCCCCCN(CCO)CCO,0,,0,,0,0,,0,,,,
 CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,0,1,0,0,1,1,0,,0,,0,0
@@ -6722,7 +6722,7 @@ CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,0
 CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccccc2)cc1,0,,,,,,,,1,,1,
 c1ccc(CCNc2nc(-c3ccccc3)cs2)cc1,1,0,1,,1,0,0,,1,0,,0
 Nc1nnnn1-c1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
-CCCCCCCCCCCCCCCCCC(=O)O[AlH3](O)O,1,0,0,,0,0,0,,0,,0,0
+CCCCCCCCCCCCCCCCCC(=O)O[Al](O)O,1,0,0,,0,0,0,,0,,0,0
 CCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1,0,0,0,0,0,0,0,0,0,0,0,0
 CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1,0,0,0,0,0,0,0,0,0,0,,0
 CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C,0,0,0,0,0,0,0,0,0,0,0,0