Datasets:

ibm-aimc

/

rxn-dataset

like 0

Follow

Analog In-Memory Computing Group, IBM Research 14

C 1 C O C C O 1 . C C ( = O ) [O-] . C C ( = O ) [O-] . C C N 1 C C N ( c 2 c c c ( N ) c n 2 ) C C 1 . C S ( = O ) ( = O ) N c 1 c c c c ( - c 2 c s c 3 c n c ( Cl ) n c 2 3 ) c 1 . O = C ( [O-] ) [O-] . [Cs+] . [Cs+] . [Pd+2]

C C N 1 C C N ( c 2 c c c ( N c 3 n c c 4 s c c ( - c 5 c c c c ( N S ( C ) ( = O ) = O ) c 5 ) c 4 n 3 ) c n 2 ) C C 1 </s>

C = C C c 1 c c ( C ( = O ) O C C ) c c c 1 O . C C O . [H] [H]

C C C c 1 c c ( C ( = O ) O C C ) c c c 1 O </s>

C c 1 c ( Br ) c ( - c 2 c c c ( Cl ) c c 2 ) c c 2 n n ( C c 3 c c c ( C ( F ) ( F ) F ) n c 3 ) c ( = O ) n 1 2 . O = P ( [O-] ) ( [O-] ) [O-] . O B ( O ) c 1 c c c c c 1 Cl . [K+] . [K+] . [K+]

C c 1 c ( - c 2 c c c c c 2 Cl ) c ( - c 2 c c c ( Cl ) c c 2 ) c c 2 n n ( C c 3 c c c ( C ( F ) ( F ) F ) n c 3 ) c ( = O ) n 1 2 </s>

C c 1 c c ( - c 2 n c c c n 2 ) n [nH] 1 . O = C 1 C C C ( = O ) N 1 Cl

C c 1 [nH] n c ( - c 2 n c c c n 2 ) c 1 Cl </s>

C C O . C C O C ( = O ) N 1 C C 2 C ( C C N 2 C c 2 c c c c c 2 ) C 1 C

C C O C ( = O ) N 1 C C 2 N C C C 2 C 1 C </s>

C C ( C O ) N 1 C ( = O ) c 2 c c c c c 2 C 1 = O . O c 1 c c ( F ) c c c 1 F . c 1 c c c ( P ( c 2 c c c c c 2 ) c 2 c c c c c 2 ) c c 1

C C ( C O c 1 c c ( F ) c c c 1 F ) N 1 C ( = O ) c 2 c c c c c 2 C 1 = O </s>

C 1 C C O C 1 . C O . C O C C ( C ) O c 1 c c ( O C c 2 c c c c c 2 ) c c ( C ( = O ) O C ) c 1 . O . [Na+] . [OH-]

C O C C ( C ) O c 1 c c ( O C c 2 c c c c c 2 ) c c ( C ( = O ) O ) c 1 </s>

C = O . C C ( = O ) O . C C O C ( = O ) C 1 C C N ( c 2 n c c ( C ( = O ) N c 3 n c ( - c 4 c c ( Cl ) c s 4 ) c ( C N C 4 C C C 4 ) s 3 ) c c 2 Cl ) C C 1 . Cl C ( Cl ) Cl

C C O C ( = O ) C 1 C C N ( c 2 n c c ( C ( = O ) N c 3 n c ( - c 4 c c ( Cl ) c s 4 ) c ( C N ( C ) C 4 C C C 4 ) s 3 ) c c 2 Cl ) C C 1 </s>

C C 1 ( C ) C c 2 c c c ( C # N ) c c 2 C 1 N . C N ( C ) C = O . C N 1 C C O C C 1 . O = C ( O ) c 1 c c 2 c c ( F ) c c c 2 [nH] 1

C C 1 ( C ) C c 2 c c c ( C # N ) c c 2 C 1 N C ( = O ) c 1 c c 2 c c ( F ) c c c 2 [nH] 1 </s>

C . C O . C O C ( = O ) C ( C ) ( C ) c 1 c c c c ( [N+] ( = O ) [O-] ) c 1 . [Pd]

C O C ( = O ) C ( C ) ( C ) c 1 c c c c ( N ) c 1 </s>

C C O . C C [O-] . Cl C C Br . O . S c 1 c c c c c 1 . [Na+]

Cl C C S c 1 c c c c c 1 </s>

C 1 C N 2 C C N 1 C C 2 . C = C C ( = O ) O C C C C . O = C C ( Cl ) ( Cl ) Cl

C = C ( C ( = O ) O C C C C ) C ( O ) C ( Cl ) ( Cl ) Cl </s>

C ( O C C 1 C O 1 ) C 1 C O 1 . O . O C c 1 c c c c c 1 . [Na]

O C C 1 C O C C ( C O C c 2 c c c c c 2 ) O 1 </s>

C O . C O C ( = O ) C O C C # C C N 1 C ( = O ) C C C C 1 C C C ( = O ) C c 1 c c c c ( Cl ) c 1 . Cl C Cl . [BH4-] . [Na+]

C O C ( = O ) C O C C # C C N 1 C ( = O ) C C C C 1 C C C ( O ) C c 1 c c c c ( Cl ) c 1 </s>

C # C C ( C ) ( C ) O . C C N C C . C N ( C ) C = O . Cl [Pd] Cl . N c 1 c c c ( S ( = O ) ( = O ) c 2 c c ( Br ) n c ( N 3 C C C C 3 ) c 2 ) c c 1 . [Cu] I . c 1 c c c ( P ( c 2 c c c c c 2 ) c 2 c c c c c 2 ) c c 1 . c 1 c c c ( P ( c 2 c c c c c 2 ) c 2 c c c c c 2 ) c c 1

C C ( C ) ( O ) C # C c 1 c c ( S ( = O ) ( = O ) c 2 c c c ( N ) c c 2 ) c c ( N 2 C C C C 2 ) n 1 </s>

C C ( C ) ( C ) O C ( = O ) N 1 C C C ( N C ( = O ) O C c 2 c c c c c 2 ) ( C ( F ) ( F ) C O S ( C ) ( = O ) = O ) C 1 . C N ( C ) C = O . O . [H-] . [Na+]

C C ( C ) ( C ) O C ( = O ) N 1 C C C 2 ( C 1 ) N ( C ( = O ) O C c 1 c c c c c 1 ) C C 2 ( F ) F </s>

C C ( C ) C O C ( = O ) Cl . C N 1 C C O C C 1 . C O C C O C . O = C ( O ) c 1 c c c ( S ) c c 1

N C ( = O ) c 1 c c c ( S ) c c 1 </s>

C C N ( C C ) C C . Cl C Cl . N C ( = O ) c 1 c c c c 2 c ( N S ( = O ) ( = O ) c 3 c c ( Cl ) c c ( Cl ) c 3 ) c c c c 1 2 . O = C ( O C ( = O ) C ( F ) ( F ) F ) C ( F ) ( F ) F

N # C c 1 c c c c 2 c ( N S ( = O ) ( = O ) c 3 c c ( Cl ) c c ( Cl ) c 3 ) c c c c 1 2 </s>

C C O C ( C ) = O . N c 1 c c c ( Cl ) c c 1 O . O . O = C ( Cl ) c 1 c c c c c 1 . O = C ( [O-] ) O . [Na+]

O = C ( N c 1 c c c ( Cl ) c c 1 O ) c 1 c c c c c 1 </s>

C C O . C O c 1 c c c ( C = O ) c c 1 O C . N # C C c 1 c [nH] c 2 c c c c c 1 2 . O = C ( [O-] ) [O-] . [K+] . [K+]

C O c 1 c c c ( C = C ( C # N ) c 2 c [nH] c 3 c c c c c 2 3 ) c c 1 O C </s>

C C ( C ) ( C ) O C ( = O ) N 1 C C C 2 ( C C 1 ) O c 1 c c ( C ( N ) = O ) c c c 1 - n 1 c c c c 1 2 . C N ( C ) C = O . Cl c 1 n c ( Cl ) n c ( Cl ) n 1 . O

C C ( C ) ( C ) O C ( = O ) N 1 C C C 2 ( C C 1 ) O c 1 c c ( C # N ) c c c 1 - n 1 c c c c 1 2 </s>

C 1 C C O C 1 . C C ( C ) ( C N 1 C C O C C 1 ) c 1 c c ( N ) n o 1 . O = C ( Cl ) O c 1 c c c c c 1 . O = C ( [O-] ) [O-] . [K+] . [K+]

C C ( C ) ( C N 1 C C O C C 1 ) c 1 c c ( N C ( = O ) O c 2 c c c c c 2 ) n o 1 </s>

C = C ( C ) C . C C N ( C C ) C C . Cl C Cl . O = S ( = O ) ( O ) C ( F ) ( F ) F . O c 1 c c c c ( Br ) c 1

C C ( C ) ( C ) O c 1 c c c c ( Br ) c 1 </s>

C C O . C N ( C ) C C C O c 1 c c c ( C = O ) c c 1 . C O c 1 c c c 2 c ( c 1 ) C C C C 2 = O . [K+] . [OH-]

C O c 1 c c c 2 c ( c 1 ) C C C ( = C c 1 c c c ( O C C C N ( C ) C ) c c 1 ) C 2 = O </s>

C N 1 C C C C 1 = O . C O c 1 c c ( S ) c c ( O C ) c 1 . O = [N+] ( [O-] ) c 1 c c c ( F ) c c 1 . [K]

C O c 1 c c ( O C ) c c ( S c 2 c c c ( [N+] ( = O ) [O-] ) c c 2 ) c 1 </s>

C C ( = O ) C N . C C N ( C C ) C C . C C N = C = N C C C N ( C ) C . C N ( C ) C = O . Cl . O . O = C ( O ) C ( C c 1 c c c ( O C c 2 c c c c c 2 ) c c 1 ) N 1 C ( = O ) c 2 c c c c c 2 C 1 = O . O n 1 n n c 2 c c c c c 2 1

C C ( = O ) C N C ( = O ) C ( C c 1 c c c ( O C c 2 c c c c c 2 ) c c 1 ) N 1 C ( = O ) c 2 c c c c c 2 C 1 = O </s>

C S ( C ) = O . Cl C Cl . C n 1 c c ( N C ( = O ) c 2 c c ( N C ( = O ) c 3 n c c n 3 C ) c n 2 C ) c c 1 C ( = O ) N C C N C ( = O ) O C ( C ) ( C ) C . O . O = C ( O ) C ( F ) ( F ) F

C n 1 c c ( N C ( = O ) c 2 c c ( N C ( = O ) c 3 n c c n 3 C ) c n 2 C ) c c 1 C ( = O ) N C C N </s>

C C O . C C O C ( C ) = O . C O c 1 c ( F ) c c ( C = O ) c ( F ) c 1 Br . C c 1 c c 2 c ( c c 1 B 1 O C ( C ) ( C ) C ( C ) ( C ) O 1 ) N ( C ) C ( = O ) C C 2 ( C ) C . C c 1 c c c c c 1 . O . O = C ( [O-] ) [O-] . [K+] . [K+] . c 1 c c c ( [PH] ( c 2 c c c c c 2 ) ( c 2 c c c c c 2 ) [Pd] ( [PH] ( c 2 c c c c c 2 ) ( c 2 c c c c c 2 ) c 2 c c c c c 2 ) ( [PH] ( c 2 c c c c c 2 ) ( c 2 c c c c c 2 ) c 2 c c c c c 2 ) [PH] ( c 2 c c c c c 2 ) ( c 2 c c c c c 2 ) c 2 c c c c c 2 ) c c 1

C O c 1 c ( F ) c c ( C = O ) c ( F ) c 1 - c 1 c c 2 c ( c c 1 C ) C ( C ) ( C ) C C ( = O ) N 2 C </s>

C 1 C O C C O 1 . C C ( C ) ( O ) C N . C C N ( C C ) C C . C c 1 n c ( S ( C ) = O ) n c 2 c 1 c c ( Br ) c ( = O ) n 2 C 1 C C C C 1

C c 1 n c ( N C C ( C ) ( C ) O ) n c 2 c 1 c c ( Br ) c ( = O ) n 2 C 1 C C C C 1 </s>

C 1 C C O C 1 . C C ( = O ) O C C 1 O C ( O ) C ( O C ( C ) = O ) C ( O C ( C ) = O ) C 1 O C ( C ) = O . C C O C ( = O ) N = N C ( = O ) O C C . C C O c 1 c c c ( - c 2 n c ( - c 3 c c c ( O ) c c 3 ) c s 2 ) c c 1 O C C . c 1 c c c ( P ( c 2 c c c c c 2 ) c 2 c c c c c 2 ) c c 1

C C O c 1 c c c ( - c 2 n c ( - c 3 c c c ( O C 4 O C ( C O C ( C ) = O ) C ( O C ( C ) = O ) C ( O C ( C ) = O ) C 4 O C ( C ) = O ) c c 3 ) c s 2 ) c c 1 O C C </s>

C 1 C C O C 1 . C C ( C ) O C ( = O ) N = N C ( = O ) O C ( C ) C . C C C c 1 n c ( C C ) n ( - c 2 c c c ( O ) c c 2 ) c ( = O ) c 1 C c 1 c c c ( - c 2 c c c c c 2 C # N ) c c 1 . C C O C ( = O ) C 1 C C C ( O ) C C 1 . C C O C ( C ) = O . O . c 1 c c c ( P ( c 2 c c c c c 2 ) c 2 c c c c c 2 ) c c 1

C C C c 1 n c ( C C ) n ( - c 2 c c c ( O C 3 C C C ( C ( = O ) O C C ) C C 3 ) c c 2 ) c ( = O ) c 1 C c 1 c c c ( - c 2 c c c c c 2 C # N ) c c 1 </s>

C C ( C ) ( O ) C ( N ) C c 1 c c c c c 1 . O = C ( Cl ) C ( Cl ) ( Cl ) Cl . c 1 c c n c c 1

C C ( C ) ( O ) C ( C c 1 c c c c c 1 ) N C ( = O ) C ( Cl ) ( Cl ) Cl </s>

C C n 1 c ( N 2 C C N C C 2 ) n c 2 c c c c c 2 1 . O = C ( N C c 1 c c c ( F ) c c 1 ) C 1 ( C C C C Br ) c 2 c c c c c 2 - c 2 c c c c c 2 1

C C n 1 c ( N 2 C C N ( C C C C C 3 ( C ( = O ) N C c 4 c c c ( F ) c c 4 ) c 4 c c c c c 4 - c 4 c c c c c 4 3 ) C C 2 ) n c 2 c c c c c 2 1 </s>

C C O C ( C ( = O ) N C c 1 c c c ( C # N ) c c 1 N ) N 1 C c 2 c ( C ) c c c c 2 C 1 = O . C O . O = C c 1 c c c c c 1 F

C C O C ( C ( = O ) N C c 1 c c c ( C # N ) c c 1 N C c 1 c c c c c 1 F ) N 1 C c 2 c ( C ) c c c c 2 C 1 = O </s>

C 1 C O C C N 1 . C c 1 n c 2 c c c ( Br ) c c 2 c ( - c 2 c c c ( F ) c c 2 ) c 1 C ( = O ) C ( F ) ( F ) F

C c 1 n c 2 c c c ( N 3 C C O C C 3 ) c c 2 c ( - c 2 c c c ( F ) c c 2 ) c 1 C ( = O ) C ( F ) ( F ) F </s>