Added 38 molecules from epoch 21842 for P23977
Browse files- P23977_molecules.csv +38 -0
P23977_molecules.csv
CHANGED
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@@ -49104,3 +49104,41 @@ rxn:5:198230:223312:229234,CSc1ccc(-c2cc(C)c(-c3ccc(C4CNC4)cc3)cn2)s1,UPNDJPYAHJ
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| 49104 |
rxn:5:198411:223200:229343,c1cc(-c2ccc3nc(-c4ccc(C5CCNC5)cc4)sc3c2)ns1,JOFXOWTXSWVFID-UHFFFAOYSA-N
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| 49105 |
rxn:5:198442:223311:229337,c1cc(-c2cc3cnc(-c4cnco4)cc3s2)cc(C2CNC2)c1,ZEQJTGKQKIGVSM-UHFFFAOYSA-N
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| 49106 |
rxn:5:198665:228630:223464,CCc1cc(F)cc(-c2cc3ccc(-c4cc[nH]c4)cc3cn2)c1,QZOSCMVLZLRHAT-UHFFFAOYSA-N
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| 49104 |
rxn:5:198411:223200:229343,c1cc(-c2ccc3nc(-c4ccc(C5CCNC5)cc4)sc3c2)ns1,JOFXOWTXSWVFID-UHFFFAOYSA-N
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| 49105 |
rxn:5:198442:223311:229337,c1cc(-c2cc3cnc(-c4cnco4)cc3s2)cc(C2CNC2)c1,ZEQJTGKQKIGVSM-UHFFFAOYSA-N
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| 49106 |
rxn:5:198665:228630:223464,CCc1cc(F)cc(-c2cc3ccc(-c4cc[nH]c4)cc3cn2)c1,QZOSCMVLZLRHAT-UHFFFAOYSA-N
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| 49107 |
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rxn:5:178711:229342:228695,C#CCc1cc(-c2cnsc2)ccc1-c1csc(CN(C)C)c1,CFVBHHGSERXFQV-UHFFFAOYSA-N
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| 49108 |
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rxn:5:178712:223312:229337,C#CCc1ccc(-c2ccc(C3CNC3)cc2)cc1-c1cnco1,SXCPQVLRBABUDO-UHFFFAOYSA-N
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| 49109 |
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rxn:5:179172:229332:223400,CNCc1cccc(-c2ccc(-c3ccoc3)cc2/C=C/OC)c1,YQWVPCVEXNPFIW-CSKARUKUSA-N
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| 49110 |
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rxn:5:180874:228692:229230,C#Cc1ccc(-c2cc(C#N)cs2)cc1-c1ccc(CN(C)C)s1,FMAGGAZUPPOSNV-UHFFFAOYSA-N
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| 49111 |
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rxn:5:180879:223311:229180,C#Cc1cc(-c2cnc(F)c(F)c2)ccc1-c1cccc(C2CNC2)c1,DZDKNZGEOOYGKU-UHFFFAOYSA-N
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| 49112 |
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rxn:5:180879:223311:229270,C#Cc1cc(-c2cnc(C#N)s2)ccc1-c1cccc(C2CNC2)c1,MNLKDNSEJHTQPP-UHFFFAOYSA-N
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| 49113 |
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rxn:5:181062:229330:223312,COc1ccc(-c2ccc(C3CNC3)cc2)cc1-c1ccsc1,QHZAFSUHYSEFOK-UHFFFAOYSA-N
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| 49114 |
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rxn:5:181064:223311:229311,COc1cc(-c2cnc(C)s2)ccc1-c1cccc(C2CNC2)c1,OROCTORFUUQLHZ-UHFFFAOYSA-N
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| 49115 |
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rxn:5:182442:223131:229331,c1csc(-c2ccc(-c3ccc(N4CCNCC4)cc3)cc2)c1,FTTLIROMPSCBLZ-UHFFFAOYSA-N
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| 49116 |
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rxn:5:182442:223398:229271,CNCc1ccc(-c2ccc(-c3cc(OC)ns3)cc2)cc1,GSXQSSQWIHCQOC-UHFFFAOYSA-N
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| 49117 |
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rxn:5:182500:223400:229217,CNCc1cccc(-c2ccc(-c3ccc(F)cc3)cc2C)c1,RDSKNMYVIHNPJP-UHFFFAOYSA-N
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| 49118 |
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rxn:5:182502:229218:223398,CNCc1ccc(-c2ccc(-c3cccc(F)c3)cc2C)cc1,QGMHEULVJGVAQT-UHFFFAOYSA-N
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| 49119 |
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rxn:5:182577:229075:223311,Cc1cc(-c2cc(C)c(-c3cccc(C4CNC4)c3)c(C)c2)sc1C#N,QHDIVCJTDBPFHO-UHFFFAOYSA-N
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| 49120 |
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rxn:5:182892:229132:229286,Cn1ccc(C2CCc3cc(-c4ccc(F)c(F)c4)ccc32)c1,FMWCTHQQXNFFTI-UHFFFAOYSA-N
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| 49121 |
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rxn:5:192488:229332:228068,CN(C)Cc1ccc(-c2cc3cc(F)ccc3s2)cc1-c1ccoc1,WBNNUIZAEYECGQ-UHFFFAOYSA-N
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| 49122 |
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rxn:5:192490:229226:229282,CN(C)Cc1ccc(-c2ccc(C#N)s2)cc1-c1ccccc1,YYJAARMGYWQCTD-UHFFFAOYSA-N
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| 49123 |
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rxn:5:192490:229230:228172,CCOc1cccc(-c2cc(-c3cc(C#N)cs3)ccc2CN(C)C)c1F,JIZHKNRVIUZRCY-UHFFFAOYSA-N
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| 49124 |
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rxn:5:192492:229076:229007,CSc1cccc(-c2cc(CN(C)C)ccc2-c2sc(C#N)cc2C)c1,CLWDYMKQFAANGM-UHFFFAOYSA-N
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| 49125 |
+
rxn:5:192492:229227:229134,CN(C)Cc1ccc(-c2csc(C#N)c2)c(-c2cc(F)ccc2F)c1,IBJHBGGDSSCUID-UHFFFAOYSA-N
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| 49126 |
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rxn:5:192710:229226:229229,N#Cc1ccc(-c2ccc(CN3CCC3)c(-c3cscc3C#N)c2)s1,PUPVTDQGSVDTPE-UHFFFAOYSA-N
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| 49127 |
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rxn:5:193681:229090:229229,CC(=O)c1cc(-c2ccc(-c3cscc3C#N)c(OC3CCN(C)CC3)c2)cs1,PTSDJBFLJAIRPO-UHFFFAOYSA-N
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| 49128 |
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rxn:5:193681:229200:229338,Cc1cccc(-c2ccc(-c3ccns3)c(OC3CCN(C)CC3)c2)c1,FUFSTYLZTUYVAG-UHFFFAOYSA-N
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| 49129 |
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rxn:5:193681:229227:229226,CN1CCC(Oc2cc(-c3csc(C#N)c3)ccc2-c2ccc(C#N)s2)CC1,OYXVGMFPTUIGGE-UHFFFAOYSA-N
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| 49130 |
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rxn:5:193681:229230:228945,CN1CCC(Oc2cc(-c3cc(C#N)cs3)ccc2-c2c(F)ccc(F)c2F)CC1,IMYZYIRZJAJJCG-UHFFFAOYSA-N
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| 49131 |
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rxn:5:193681:229294:229140,Cc1cc(-c2ccc(-c3cccc(F)c3F)c(OC3CCN(C)CC3)c2)co1,FKIWOFNCLPJCCC-UHFFFAOYSA-N
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| 49132 |
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rxn:5:193681:229307:229320,Cc1oncc1-c1ccc(-c2cc(F)cs2)c(OC2CCN(C)CC2)c1,IRIJDDAWLQQPLW-UHFFFAOYSA-N
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| 49133 |
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rxn:5:193681:229331:229218,CN1CCC(Oc2cc(-c3cccs3)ccc2-c2cccc(F)c2)CC1,MWPGJTNGGCSFLF-UHFFFAOYSA-N
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| 49134 |
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rxn:5:193681:229338:229202,CCc1ccc(-c2ccc(-c3ccns3)cc2OC2CCN(C)CC2)s1,BJXDVNOOQFBDNS-UHFFFAOYSA-N
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| 49135 |
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rxn:5:193681:229345:228946,CN1CCC(Oc2cc(-c3ccno3)ccc2-c2cc(F)c(F)cc2F)CC1,VIDVHECVTOZECZ-UHFFFAOYSA-N
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| 49136 |
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rxn:5:195908:229344:223311,c1cc(-c2ccc(-c3ncc(-c4cocn4)s3)cc2)cc(C2CNC2)c1,OCDDLIXZNZQVQB-UHFFFAOYSA-N
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| 49137 |
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rxn:5:198085:223199:229317,Fc1ccc(-c2cnc(-c3cccc(C4CCNC4)c3)s2)s1,XTGDEEWVSXTDMH-UHFFFAOYSA-N
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| 49138 |
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rxn:5:198085:229293:223199,Cc1cc(-c2ncc(-c3cccc(C4CCNC4)c3)s2)cs1,HTGHZCJLNJCRJO-UHFFFAOYSA-N
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| 49139 |
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rxn:5:198088:223312:229207,Cc1cc(-c2csc(-c3ccc(C4CNC4)cc3)n2)ccn1,LMJDLJQIEXNNQF-UHFFFAOYSA-N
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| 49140 |
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rxn:5:198120:223312:229338,c1cc(-c2ccc(-c3ccc(C4CNC4)cc3)cn2)sn1,AAPQTFUMBIQSIO-UHFFFAOYSA-N
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| 49141 |
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rxn:5:198120:229206:223312,CCc1cc(-c2ccc(-c3ccc(C4CNC4)cc3)nc2)cs1,BEOMBKCYRHTODL-UHFFFAOYSA-N
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| 49142 |
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rxn:5:198120:229338:223311,c1cc(-c2ccc(-c3ccns3)cn2)cc(C2CNC2)c1,LSYRGAMYKQLUMW-UHFFFAOYSA-N
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| 49143 |
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rxn:5:198230:223360:229320,CNCc1cccc(-c2cnc(-c3cc(F)cs3)cc2C)c1F,PUBRWJMATGAKPT-UHFFFAOYSA-N
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| 49144 |
+
rxn:5:198514:223312:229320,Fc1csc(-c2cccc3c(-c4ccc(C5CNC5)cc4)c[nH]c23)c1,YJZSPANVQJBLML-UHFFFAOYSA-N
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