urdof7 commited on
Commit
5c103cd
·
verified ·
1 Parent(s): e783c16

Added 212 molecules from epoch 17026 for B1WC68

Browse files
Files changed (1) hide show
  1. B1WC68_molecules.csv +212 -0
B1WC68_molecules.csv CHANGED
@@ -33017,3 +33017,215 @@ rxn:2:122527:160422,CC(NC1CCN(c2ccc(S(C)(=O)=O)cc2)CC1)c1ccc(N2CCCCCC2)cc1,HFTGS
33017
  rxn:2:80372:155159,Cc1ccc(N2CCN(C)CC2)c(NC(CC2=NCCO2)c2ccc(S(C)(=O)=O)cc2)c1,GLYULZSULCMSLH-UHFFFAOYSA-N
33018
  rxn:2:81598:142505,CC(=O)c1ccc(C2C(CCSC(C)Nc3cn(CC(C)C)c(=O)[nH]c3=O)C2(F)F)nc1,RPZIHTBKIWLYQH-UHFFFAOYSA-N
33019
  rxn:2:87783:124940,CC(C)N1CCC(NC2COc3ccc(S(C)(=O)=O)cc32)CC1c1ccc2c(c1)OCO2,XVZUGFYYGJNHIA-UHFFFAOYSA-N
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
33017
  rxn:2:80372:155159,Cc1ccc(N2CCN(C)CC2)c(NC(CC2=NCCO2)c2ccc(S(C)(=O)=O)cc2)c1,GLYULZSULCMSLH-UHFFFAOYSA-N
33018
  rxn:2:81598:142505,CC(=O)c1ccc(C2C(CCSC(C)Nc3cn(CC(C)C)c(=O)[nH]c3=O)C2(F)F)nc1,RPZIHTBKIWLYQH-UHFFFAOYSA-N
33019
  rxn:2:87783:124940,CC(C)N1CCC(NC2COc3ccc(S(C)(=O)=O)cc32)CC1c1ccc2c(c1)OCO2,XVZUGFYYGJNHIA-UHFFFAOYSA-N
33020
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33021
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+ E9A915B30F6B0BA7_3CEDD2396C36788D_6038_UN,N(C1=C(C=CN=C1)N2CCOCC2)C(CC(CCC)(C)C)=O,HPSUDTAJYXCOTQ-UHFFFAOYSA-N
33184
+ EAC08E16E09BDC25_F199C1BFB950DB2C_6038_UN,CCN(C)C(=O)CNC(C(N2CCN(C1=CC=C(OC)C=C1)CC2)C)=O,SOKXSPPCHHKWSB-UHFFFAOYSA-N
33185
+ EBB84BF6EBCAC8F6_FC7E582DB1B6BD37_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(CCCC(N(C)C)=O)=O,ORTUADHXIKHRDP-UHFFFAOYSA-N
33186
+ F0ED3B5D80D11E6A_05826CEE7C9E3D44_6038_UN,CCN(CC)CC#CC(C)OC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12,UDELLOJAQXOFGG-UHFFFAOYSA-N
33187
+ F373D120093AF9D7_38ED258B576B3195_6028_UN,CC(=C1C=CC(=N[S](=O)(=O)C)C=C1)N(O)[S](C2=NN=C[NH]2)(=O)=O,GLSGXKJZSMEZKZ-UHFFFAOYSA-N
33188
+ F8C063A3BBF551F6_109B003C9BFC22C1_6041_UN,C2(=C1C=C[NH]C1=NC=N2)NC[C@H](CC(OCC)=O)CC(C)C,QKPIIVHGSJLEBL-LBPRGKRZSA-N
33189
+ F90EFC0B71297551_57CE02DD3AFDC703_7022_UN,C1(=C(C=CC(=C1)C2(CC2)C#N)F)NC4=C(C[S](C)(=O)=O)C=C3OCCOC3=C4,KQBHLAIKUOLGKC-UHFFFAOYSA-N
33190
+ FBE4C5946C548BEC_25B1309926585017_6038_UN,CCOC(=O)N(C)CCOC(C1=C(CC(OC)=O)SC=C1)=O,JZSMWOFVNOURTF-UHFFFAOYSA-N
33191
+ FCB57BEB78CBF22D_7CD31606203B3B09_6038_UN,N(CC[N]1N=NC(=C1)C2=CC=CC=C2)C(C3(C(CC)=O)CC3)=O,LWNMAUVFFTZSRL-UHFFFAOYSA-N
33192
+ FCD10B882C8B0F01_A186FEB92AE773C8_6028_UN,OC(=C1N=CC=CC1=O)N(C2=CN=CC=C2)[S](C3=NN=N[N]3C4=CC5=C(C=C4)OCO5)(=O)=O,DYHLCNQURPEGRD-UHFFFAOYSA-N
33193
+ FE5EAEDCB68A0B64_F2B0FD142CC26986_2875_DP,CC(C)C[C@@H](C[N]1N=NC(=C1)C2=C(C(C)=O)C=CC=C2)N,ZXBZYAIJEAIZJS-ZDUSSCGKSA-N
33194
+ FF15B6DEADD0C39F_CCC5F0E44AB55A17_6038_UN,C[C@@H](OC(=O)COC1=NC(=O)NC(=O)N1)CC2=CSC=C2,AUPSVIAUFYUENF-SSDOTTSWSA-N
33195
+ rxn:1:10879:58578,CCOC(=O)C1=C(Cn2cc(CN3C(=O)COc4ccc([N+](=O)[O-])nc43)nn2)NC(=O)NC1,JQBGELSNTZMUPQ-UHFFFAOYSA-N
33196
+ rxn:1:24230:44796,CC1(C(=O)OCc2cn(CCC#Cc3c[n+]([O-])ccc3[N+](=O)[O-])nn2)COC(=O)OC1,FXUCOZYJPDPUDP-UHFFFAOYSA-N
33197
+ rxn:1:3397:44796,COC(=O)N1CCN(C(=O)c2cn(CCC#Cc3c[n+]([O-])ccc3[N+](=O)[O-])nn2)CC1,SIWCXGUVSRWDJH-UHFFFAOYSA-N
33198
+ rxn:1:3434:47750,CN1CC(=O)OB(c2cn(CC(O)C(O)c3ncc(Cl)cc3[N+](=O)[O-])nn2)OC(=O)C1,JQLPZKOYIXEZOV-UHFFFAOYSA-N
33199
+ rxn:1:42347:3664,COc1cc(C=C2NC(=O)NC2=O)cc(I)c1OCc1cn(CC(C)(C)[N+](=O)[O-])nn1,GGEBVLHBJKCUPR-UHFFFAOYSA-N
33200
+ rxn:1:42347:9426,COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1cn(CC(C)(C)[N+](=O)[O-])nn1,CUYGYQWMOFVHSY-UHFFFAOYSA-N
33201
+ rxn:1:59652:33381,CCOc1ccccc1C(=O)N1CCC(n2cc(CN3C(=O)SC(=Cc4ccc(OC)c(I)c4)C3=O)nn2)CC1,VISIEUKDHZNERM-UHFFFAOYSA-N
33202
+ rxn:1:59653:1285,CCOc1ccc(C(=O)N2CCC(n3cc(CN4C(=O)SC(=Cc5ccc(C(=O)O)cc5)C4=O)nn3)CC2)cc1,PCYUAMSVTVLTAB-UHFFFAOYSA-N
33203
+ rxn:1:60331:25490,Cc1cc(Br)c(Cl)cc1N1CC(c2cn(C(C)(C)C3c4ccccc4OCC4=CNNN43)nn2)CC1=O,LKTIHTTVMFTFNT-UHFFFAOYSA-N
33204
+ rxn:1:60331:25491,Cc1cc(Br)c(F)cc1N1CC(c2cn(C(C)(C)C3c4ccccc4OCC4=CNNN43)nn2)CC1=O,AISAADVIBBWWEL-UHFFFAOYSA-N
33205
+ rxn:1:60331:25495,Cc1cc(Cl)c(Cl)cc1N1CC(c2cn(C(C)(C)C3c4ccccc4OCC4=CNNN43)nn2)CC1=O,ISQPSBLTAQFYFI-UHFFFAOYSA-N
33206
+ rxn:1:60331:25496,Cc1cc(F)c(Br)cc1N1CC(c2cn(C(C)(C)C3c4ccccc4OCC4=CNNN43)nn2)CC1=O,CICSFBDFTSUWFU-UHFFFAOYSA-N
33207
+ rxn:1:60331:25565,Cc1cc(Cl)nc(Cl)c1N1CC(c2cn(C(C)(C)C3c4ccccc4OCC4=CNNN43)nn2)CC1=O,GBOYAJUGFUNZEL-UHFFFAOYSA-N
33208
+ rxn:1:60932:9589,COC1(C(F)(F)F)CCN(CCn2cc(COc3ccc(C=C4C(=O)NC(=S)NC4=O)cc3)nn2)CC1,GRDGNZUOMYCNNW-UHFFFAOYSA-N
33209
+ rxn:1:61053:14827,O=C(Cn1cc(CN2C(=O)SC(=Cc3cc4c(cc3Cl)OCO4)C2=O)nn1)N1CC(CF)C1,YHRZQGWXQLYSTG-UHFFFAOYSA-N
33210
+ rxn:1:61196:14827,O=C(c1ccc(=O)[nH]n1)N1CC(n2cc(CN3C(=O)SC(=Cc4cc5c(cc4Cl)OCO5)C3=O)nn2)C1,KMPLEAGCBJIRPP-UHFFFAOYSA-N
33211
+ rxn:1:61600:4085,CC1=C(C(=O)O)C(c2ccc(C)cc2)N=C(SCc2cn(CCOc3ccc(F)cc3C(=O)O)nn2)N1,QFONDZXMQRASFO-UHFFFAOYSA-N
33212
+ rxn:1:62848:23419,CCOc1ccccc1C=C1SC(=O)N(Cc2cn(Cc3cccc(C(=O)/C=C(\O)C(=O)O)c3)nn2)C1=O,VSYBSEBYXXBZFD-HFKCRURASA-N
33213
+ rxn:1:62972:8089,CC(=O)c1ccccc1N1CC(Cn2cc(C(=O)N3CCC(c4cc(O)nc(N(C)C)n4)C3)nn2)CC1=O,BHNRTERNCFOXKN-UHFFFAOYSA-N
33214
+ rxn:1:63787:9933,CCN1C(=O)COc2ccc(-c3csc(SCc4cn(CC5CC(=O)N(c6c(C)cccc6C(=O)O)C5)nn4)n3)cc21,HWCFBIAMYABVOO-UHFFFAOYSA-N
33215
+ rxn:1:64231:7055,CC(C)N1CC(C)(C)C(c2cn(CC3CC(=O)N(Cc4cccc5[nH]ccc45)C3)nn2)OC1=O,RMXCAHCIGNSMDX-UHFFFAOYSA-N
33216
+ rxn:1:64324:4348,O=C(CN1CCNCC1)Nc1cccc(-c2cn(CC3CC(=O)N(c4c(Br)cccc4C(=O)O)C3)nn2)c1,XYTCRYWENIGHHD-UHFFFAOYSA-N
33217
+ rxn:1:64324:5500,Cn1c(N2CCC(C(=O)NCc3cn(CC4CC(=O)N(c5c(Br)cccc5C(=O)O)C4)nn3)CC2)nc2ccccc21,NEZJJPJQIJGFDK-UHFFFAOYSA-N
33218
+ rxn:1:64327:5500,Cn1c(N2CCC(C(=O)NCc3cn(CC4CC(=O)N(c5c(F)cccc5C(=O)O)C4)nn3)CC2)nc2ccccc21,DQSFEJRWWLXIAR-UHFFFAOYSA-N
33219
+ rxn:1:64722:12295,O=C(Nc1ccc(-c2cn(CC3CC(=O)N(c4ccc(Br)c(C(=O)O)n4)C3)nn2)cc1)c1cccnc1N1CCOCC1,PJCMVAVUOQQWAA-UHFFFAOYSA-N
33220
+ rxn:1:64757:5515,Cn1c(N2CCCC(C(=O)NCc3cn(CC4CC(=O)N(c5ccc(Br)cc5C(=O)O)C4)nn3)C2)nc2ccccc21,MGKYYDHONJFAAB-UHFFFAOYSA-N
33221
+ rxn:1:65032:7055,CC(C)N1CC(C)(C)C(c2cn(CC3CC(=O)N(c4ccncc4C=O)C3)nn2)OC1=O,QAKDQRKLCGYNNO-UHFFFAOYSA-N
33222
+ rxn:1:65150:32858,Cc1ccc(NC(=O)[C@@H]2CCC(=O)N2C)cc1-c1cn(CC2CC(=O)N(c3ccnc(C(=O)O)c3)C2)nn1,SPHROLFLMHBMNP-XLDIYJRPSA-N
33223
+ rxn:1:701:42571,O=C1COc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc2N1Cc1cn(CC#Cc2cc([N+](=O)[O-])ccn2)nn1,OJNCFNFSRBCMEH-UHFFFAOYSA-N
33224
+ rxn:1:701:42572,O=C1COc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc2N1Cc1cn(CC#Cc2ccc([N+](=O)[O-])cn2)nn1,JYYAJWIBYCLAEA-UHFFFAOYSA-N
33225
+ rxn:2:111099:126600,Cc1ccc(C(C)NCc2cn(CCN3CCCN(C)CC3)nn2)c(OS(=O)(=O)F)c1,WSYLVBSZVHIIEI-UHFFFAOYSA-N
33226
+ rxn:2:117066:117602,CC(NCCCCN1CCC(F)(F)CC1)c1ccc(OS(=O)(=O)[O-])cc1,JIZSFVMAZOJHSP-UHFFFAOYSA-M
33227
+ rxn:2:67353:70121,CC1(C)CCC(C)(C)CC(NC2CC3CCCC(C2)N3c2ccccc2)C1,WAQBAVIKEJGNPH-UHFFFAOYSA-N
33228
+ rxn:2:69415:134221,CCC(Nc1ccc(OS(=O)(=O)F)c(C(C)C)c1)c1cnc(N2CCN(C)CC2)cc1C,PVZCSELPPFXZGI-UHFFFAOYSA-N
33229
+ rxn:2:70121:102686,CC1(C)CCC(NC2CC3CCCC(C2)N3c2ccccc2)CC(C)(C)C1,LPIRJEGAWBHPQA-UHFFFAOYSA-N
33230
+ rxn:2:70121:99344,CC1(C)CC(NC2CC3CCCC(C2)N3c2ccccc2)CC(C)(C)C1,PZFLOGYYBGJJLW-UHFFFAOYSA-N
33231
+ rxn:2:70902:148822,CC1CC(COc2ccc(CNC(c3ccc(S(C)(=O)=O)cc3)C3CCCCC3)cc2)C1,UUGIAWYISBWWMO-UHFFFAOYSA-N