Added 107 molecules from epoch 17298 for Q4QQW4

Q4QQW4_molecules.csv

@@ -33713,3 +33713,110 @@ rxn:2:98647:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1csc(N(C)CCC(C)C)n1,O
 rxn:2:98728:153696,CCCC(NCC(F)(F)CN1CCN(C)CC1C)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,WRBYYPDMDMFPHK-UHFFFAOYSA-N
 rxn:2:99521:135163,CC(=O)c1ccccc1C#CCCSC(C)NCC12CC(S(C)(=O)=O)(CO1)C2,VGCXBPHPTHJGQD-UHFFFAOYSA-N
 rxn:2:99561:153921,CCOC1(CNC(C)c2ncccc2-c2ccc(CN3CCOCC3)cc2)CS(=O)(=O)C1,PBEJUCUZLHCNAV-UHFFFAOYSA-N
+rxn:1:11170:62550,CC1CCCCC1N(Cc1cn(C[C@@H]2CC[C@H]2C(=O)O)nn1)S(=O)(=O)c1cccs1,GGPAUUBLILGTQG-HILOLKJVSA-N
+rxn:1:11226:53143,CCN(Cc1cn(CCC2CC2c2cnc(N3CCCC3)nc2)nn1)S(=O)(=O)N(C)C,MKOWXDNCELUCOD-UHFFFAOYSA-N
+rxn:1:12029:43967,O=c1ccn([C@H]2C[C@@H](n3cc(CCCCS(=O)(=O)Cl)nn3)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]1,RISDWHLQEYLLJN-YRGRVCCFSA-N
+rxn:1:12199:47823,CS(=O)(=O)N1C[C@@H](O)[C@@H](c2cn([C@@]3(CO)O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3F)nn2)C1,HSSVVBCXJZLORX-PMIDBLOVSA-N
+rxn:1:14815:64433,C=C(CC)Cn1cc(C2(OS(=O)(=O)[O-])CC[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@@H]5[C@@H]4C(=C)C[C@@]32CC)nn1,XRIAXEDYVWMOTO-BHHKTDLZSA-M
+rxn:1:14845:65611,CC[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@]2(OC(C)=O)c1cn(S(=O)(=O)c2cccnc2)nn1,OPLFLMJIHTZTBS-GBQMVUELSA-N
+rxn:1:1552:61623,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(=O)(=O)n4cc(COc5ccncc5Br)nn4)OC(C)(C)O[C@@H]23)O1,CQTQBHHVTKYPJY-WWNBULGVSA-N
+rxn:1:1553:61623,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(=O)(=O)n4cc(COc5ccncc5I)nn4)OC(C)(C)O[C@@H]23)O1,VVAKWMYBZLVHMQ-WWNBULGVSA-N
+rxn:1:18114:58980,CCOC(=O)N1CCc2nn(C3CCCCC3)c(-c3cn(CCCCc4cnc(Cl)c(N)c4)nn3)c2C1,IRRMIUXBUGAYJW-UHFFFAOYSA-N
+rxn:1:18114:58981,CCOC(=O)N1CCc2nn(C3CCCCC3)c(-c3cn(CCCCc4cnc(F)c(N)c4)nn3)c2C1,LOMGEVPNQSUAHZ-UHFFFAOYSA-N
+rxn:1:19979:49944,COc1ccc(C2C(Cn3cc(C4(NS(=O)(=O)c5ccc([N+](=O)[O-])cc5)CCCCC4)nn3)C2(F)F)nn1,VETJYQCDJBKKDQ-UHFFFAOYSA-N
+rxn:1:23382:49465,Cc1ccc(S(=O)(=O)N2CCC(n3cc(CO[C@@H]4[C@H](O)[C@@H](CO)O[C@H]4n4cnc5c(=O)[nH]c(N)nc54)nn3)CC2)s1,GVTDJPOIYVDPQU-CIVUBGFFSA-N
+rxn:1:23663:43924,CN(Cc1cn(CCC#Cc2c[nH]nc2C#N)nn1)C(=O)[C@@H]1C=C2c3cccc4[nH]c(Br)c(c34)C[C@H]2N(C)C1,UNBYUNDPKPPTPW-IQGLISFBSA-N
+rxn:1:23663:44583,CN(Cc1cn(CCC#Cc2cnc3c(c2)CCN3)nn1)C(=O)[C@@H]1C=C2c3cccc4[nH]c(Br)c(c34)C[C@H]2N(C)C1,NKWAKIRTSFCQCI-JIPXPUAJSA-N
+rxn:1:23663:55957,CN(Cc1cn(CC2CC2c2cnc3c(c2)CCN3)nn1)C(=O)[C@@H]1C=C2c3cccc4[nH]c(Br)c(c34)C[C@H]2N(C)C1,WKIOFIUGMVWSDH-IZIZKCDISA-N
+rxn:1:23663:58511,CN(Cc1cn(CCCc2cnc(N3CCCC3)nc2)nn1)C(=O)[C@@H]1C=C2c3cccc4[nH]c(Br)c(c34)C[C@H]2N(C)C1,IOWLIYKIEJMYOM-JIPXPUAJSA-N
+rxn:1:23663:58579,CN(Cc1cn(CCSc2n[nH]c(=O)n2C2CC2)nn1)C(=O)[C@@H]1C=C2c3cccc4[nH]c(Br)c(c34)C[C@H]2N(C)C1,VHKYZWSOHAIXFB-IVZQSRNASA-N
+rxn:1:24186:48582,Cc1cc(C(O)C(O)CCn2cc(CN3CN4CNCC([N+](=O)[O-])(C4)C3)nn2)ccn1,FISNSAILNDISSX-UHFFFAOYSA-N
+rxn:1:24186:49143,O=c1cc[nH]c2c(C(O)C(O)CCn3cc(CN4CN5CNCC([N+](=O)[O-])(C5)C4)nn3)cccc12,YEVQFOOZWXXPPZ-UHFFFAOYSA-N
+rxn:1:24186:49148,Nc1ncnc2ccc(C(O)C(O)CCn3cc(CN4CN5CNCC([N+](=O)[O-])(C5)C4)nn3)cc12,MJQNCYKRJLKPJD-UHFFFAOYSA-N
+rxn:1:24186:49277,Nc1ncnc2[nH]cc(C(O)C(O)CCn3cc(CN4CN5CNCC([N+](=O)[O-])(C5)C4)nn3)c12,FWILFUDAZPMNHY-UHFFFAOYSA-N
+rxn:1:3102:54876,CCOC(=O)C1(Cc2cn(CCC3C(c4ccc5[nH]c6c(c5c4)CCCC6)C3(F)F)nn2)CCNCC1,HHUNXZZZXLAOTF-UHFFFAOYSA-N
+rxn:1:31203:44677,CC(C)(C)OC(=O)N1CCC2(CN(Cc3cn(CCC#Cc4c[nH]c5c(Cl)ncnc45)nn3)C2)C1,UWFAQMJOMIEFTR-UHFFFAOYSA-N
+rxn:1:31203:52678,CC(C)(C)OC(=O)N1CCC2(CN(Cc3cn(CCC4CC4c4c[nH]c5c(Cl)ncnc45)nn3)C2)C1,VPMSETNGIIVDGL-UHFFFAOYSA-N
+rxn:1:31261:61623,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(=O)(=O)n4cc(-c5cc6c(Cl)ncnc6s5)nn4)OC(C)(C)O[C@@H]23)O1,OAUPZYIYMOQSMQ-AUKZQPGHSA-N
+rxn:1:31279:62271,Nc1c(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)cnc(Cl)c1F,FLNAUPJHEPFMAO-UHFFFAOYSA-N
+rxn:1:31545:62271,Nc1ccnc(Cl)c1-c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,MTMIXBAPEBDJIF-UHFFFAOYSA-N
+rxn:1:31806:62271,O=c1cc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)cc(C(F)(F)F)[nH]1,OEGVEBJMPGCIAH-UHFFFAOYSA-N
+rxn:1:31968:42678,COC(=O)c1csc(C#CCn2cc(N(CC3COC(C)(C)O3)S(C)(=O)=O)nn2)n1,AIQPHETZCZXLRW-UHFFFAOYSA-N
+rxn:1:31968:43089,COC(=O)c1ccncc1C#CCn1cc(N(CC2COC(C)(C)O2)S(C)(=O)=O)nn1,GNTUECQCESXUOA-UHFFFAOYSA-N
+rxn:1:31968:43751,COC(=O)c1ccc2c(C#CCn3cc(N(CC4COC(C)(C)O4)S(C)(=O)=O)nn3)n[nH]c2c1,BFPRNJUEZYMQMS-UHFFFAOYSA-N
+rxn:1:31968:44289,COc1ccc(C#CCCn2cc(N(CC3COC(C)(C)O3)S(C)(=O)=O)nn2)c(O)c1,JMZWLMALXJJSAE-UHFFFAOYSA-N
+rxn:1:31968:44297,COc1ccc(C#CCCn2cc(N(CC3COC(C)(C)O3)S(C)(=O)=O)nn2)cc1O,SAEVYKYDZQQJFV-UHFFFAOYSA-N
+rxn:1:31968:44429,COc1ccc(N)c(C#CCCn2cc(N(CC3COC(C)(C)O3)S(C)(=O)=O)nn2)n1,TXLVQASQUPEUNV-UHFFFAOYSA-N
+rxn:1:31968:45976,COc1nc(C=CCCn2cc(N(CC3COC(C)(C)O3)S(C)(=O)=O)nn2)ccc1N,MSRJRYYJNTVTAE-UHFFFAOYSA-N
+rxn:1:31968:52030,Cc1ccc(F)c(C2CC2CCn2cc(N(CC3COC(C)(C)O3)S(C)(=O)=O)nn2)n1,SKGKDMFAMIUHKZ-UHFFFAOYSA-N
+rxn:1:31968:52040,Cc1ccc(C2CC2CCn2cc(N(CC3COC(C)(C)O3)S(C)(=O)=O)nn2)c(Cl)n1,SMKPOBNPKGVOIA-UHFFFAOYSA-N
+rxn:1:31968:52128,COc1cccc(C2CC2CCn2cc(N(CC3COC(C)(C)O3)S(C)(=O)=O)nn2)n1,DGUBHRCYENPVJJ-UHFFFAOYSA-N
+rxn:1:31968:52513,CC(=O)c1cncc(C2CC2CCn2cc(N(CC3COC(C)(C)O3)S(C)(=O)=O)nn2)c1,CBFYFOOSKRGRBM-UHFFFAOYSA-N
+rxn:1:31968:52520,CC(=O)c1cccc(C2CC2CCn2cc(N(CC3COC(C)(C)O3)S(C)(=O)=O)nn2)n1,JOMOPVFANQCKPV-UHFFFAOYSA-N
+rxn:1:31968:52541,COc1nc(C2CC2CCn2cc(N(CC3COC(C)(C)O3)S(C)(=O)=O)nn2)cnc1N,UAPDCXYDBBNFEF-UHFFFAOYSA-N
+rxn:1:31968:55290,CC(=O)c1ccc(C2CC2Cn2cc(N(CC3COC(C)(C)O3)S(C)(=O)=O)nn2)s1,AALRCZUJESJMEB-UHFFFAOYSA-N
+rxn:1:31968:55918,CC(=O)c1cccc(C2CC2Cn2cc(N(CC3COC(C)(C)O3)S(C)(=O)=O)nn2)n1,AHIUSOSYWCQDTO-UHFFFAOYSA-N
+rxn:1:31968:56901,COC(=O)c1cc2ccc(C3CC3Cn3cc(N(CC4COC(C)(C)O4)S(C)(=O)=O)nn3)cc2[nH]1,FHXOYTVSRFCVFN-UHFFFAOYSA-N
+rxn:1:31968:56902,COC(=O)c1ccc2c(C3CC3Cn3cc(N(CC4COC(C)(C)O4)S(C)(=O)=O)nn3)c[nH]c2c1,VUKDRKBTQCOKCV-UHFFFAOYSA-N
+rxn:1:31968:62424,CCOC(=O)N1CC[C@H](O)[C@H](n2cc(N(CC3COC(C)(C)O3)S(C)(=O)=O)nn2)C1,PFYKGGYKVMNQGP-IUZLNWEFSA-N
+rxn:1:31968:63015,CCOc1ccc2nc(N3CC(Cn4cc(N(CC5COC(C)(C)O5)S(C)(=O)=O)nn4)CC3=O)sc2c1,BNFCALPRMCQBAH-UHFFFAOYSA-N
+rxn:1:31968:63342,COc1ccc2nc(N3CC(Cn4cc(N(CC5COC(C)(C)O5)S(C)(=O)=O)nn4)CC3=O)sc2n1,GWZUJEBUJWUKSM-UHFFFAOYSA-N
+rxn:1:32419:52212,Cc1ccc(F)c(C2CC2CCn2cc(CSC3=NC(=CN(C)C)C(=O)N3)nn2)c1F,LXDZFZBEXWJFET-UHFFFAOYSA-N
+rxn:1:32419:52215,Cc1ccc(F)c(C2CC2CCn2cc(CSC3=NC(=CN(C)C)C(=O)N3)nn2)c1Br,GZWPRHZOZRALGR-UHFFFAOYSA-N
+rxn:1:32419:54751,Cc1c(C2C(CCn3cc(CSC4=NC(=CN(C)C)C(=O)N4)nn3)C2(F)F)c2ccccc2n1C,MDEVGBCDIDPHTI-UHFFFAOYSA-N
+rxn:1:33168:60619,Cc1cc(C(=O)N(C)c2ccncn2)ccc1-c1cn(CC2O[C@H](OP(=O)(O)O)C(O)[C@H](O)[C@H]2O)nn1,LHOIGWJYTHXQJJ-LOWGKYATSA-N
+rxn:1:37068:49350,CC(C)(C)OC(=O)N1CC2(CC(=Cc3ccc(F)cc3-c3cn([C@@H]4COC[C@H]4n4ccnc4)nn3)C2)C1,PULLIEHIQBFUMA-DNQXCXABSA-N
+rxn:1:37247:49350,CC(C)(C)OC(=O)N1CC2(CC(=Cc3cccc(-c4cn([C@@H]5COC[C@H]5n5ccnc5)nn4)c3F)C2)C1,GFNGBOGOQALJEJ-DHIUTWEWSA-N
+rxn:1:42235:14815,C=C1C[C@@]2(CC)[C@H](CCC2(OS(=O)(=O)[O-])c2cn(CC#Cc3ncc([N+](=O)[O-])s3)nn2)[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@H]12,GVTZXTYHCMKMAK-MIWFFIBBSA-M
+rxn:1:4227:44620,COC(=O)C1(NCc2cn(CCC#Cc3csc(C4OCCO4)c3)nn2)CCS(=O)(=O)CC1,YVSWHMSELRJFLR-UHFFFAOYSA-N
+rxn:1:4338:56721,C=C(C)Cn1c(SCc2cn(CCS(=O)CCC)nn2)nc2sc3c(c2c1=O)CC(C)(C)OC3,UYUVLJFZNGJDMJ-UHFFFAOYSA-N
+rxn:1:4338:59717,C=C(C)Cn1c(SCc2cn(C3CCN(S(=O)(=O)c4cn(C)cn4)CC3)nn2)nc2sc3c(c2c1=O)CC(C)(C)OC3,SNXFTLRPDOZJQE-UHFFFAOYSA-N
+rxn:1:44103:14815,C=C1C[C@@]2(CC)[C@H](CCC2(OS(=O)(=O)[O-])c2cn(CCC#Cc3ncc([N+](=O)[O-])s3)nn2)[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@H]12,QSZAQBLCCWSEEL-PWARXOBVSA-M
+rxn:1:44241:29075,CC1(C)OB(C(F)=Cc2cc(-c3cccs3)nn2Cc2cn(CCC#Cc3nc([N+](=O)[O-])c[nH]3)nn2)OC1(C)C,OREFNNMOEWQRRE-UHFFFAOYSA-N
+rxn:1:44241:29087,CC1(C)OB(C(F)=Cc2cc3n(Cc4cn(CCC#Cc5nc([N+](=O)[O-])c[nH]5)nn4)ccn3n2)OC1(C)C,HRZPIRGUBZLVHA-UHFFFAOYSA-N
+rxn:1:44412:8496,CSc1ncc(C#CCCn2cc(C(=O)N3CCC(c4c(C(=O)N(C)C)sc5nccnc45)CC3)nn2)c(Cl)n1,OVAFULIXTTZRAG-UHFFFAOYSA-N
+rxn:1:44772:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(CCC#Cc5cnc(Cl)c([N+](=O)[O-])c5)nn4)ncn3)CC2)OC1(C)C,NTSPHETZNPUOGL-UHFFFAOYSA-N
+rxn:1:50455:4781,ON=Cc1cccc(C2C(Cn3cc(CN4CCC(CN5CCNCC5)C4)nn3)C2(F)F)c1,MMFNVNPVDUUHHP-UHFFFAOYSA-N
+rxn:1:51273:17541,ON=Cc1cc(CC2CCC2)n(Cc2cn(CC3C(c4cnc(N5CCCC5)nc4)C3(F)F)nn2)n1,AUVVHXARLAHYIT-UHFFFAOYSA-N
+rxn:1:51318:16740,ON=Cc1cnn(-c2ccc(-c3cn(CC4C(c5ccc(C6CCNCC6)cc5)C4(F)F)nn3)cc2)c1C1CCCCC1,CCDNKYGOSGPSGC-UHFFFAOYSA-N
+rxn:1:52002:14815,C=C(Cn1cc(C2(OS(=O)(=O)[O-])CC[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@@H]5[C@@H]4C(=C)C[C@@]32CC)nn1)C1CCOCC1,VZSDCKVJETWVTK-SHFMUNQVSA-M
+rxn:1:53100:23663,CN(Cc1cn(CCC2CC2c2ccc3nc[nH]c(=O)c3c2)nn1)C(=O)[C@@H]1C=C2c3cccc4[nH]c(Br)c(c34)C[C@H]2N(C)C1,VEZXAVBVLWJUFN-MSYZWUBLSA-N
+rxn:1:53899:16952,O=[N+]([O-])c1c[nH]c(C2C(CCn3cc(-c4cnn(C5CCC5)c4CC4CCCC4)nn3)C2(F)F)n1,JVPYLPMQLIEXMB-UHFFFAOYSA-N
+rxn:1:60068:23663,COC(=O)c1cc2n(CCn3cc(CN(C)C(=O)[C@@H]4C=C5c6cccc7[nH]c(Br)c(c67)C[C@H]5N(C)C4)nn3)ccn2n1,SPILOOIGTJHZBH-MZNJEOGPSA-N
+rxn:1:60311:23663,Cc1ncsc1C(=O)N1CCC(n2cc(CN(C)C(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)nn2)CC1,HDTMTDPAIWMIBT-IQGLISFBSA-N
+rxn:1:60331:8959,CC(C)(C1c2ccccc2OCC2=CNNN21)n1cc(CN(CC2CCCO2)S(C)(=O)=O)nn1,DQOAWMKEIKIDTC-UHFFFAOYSA-N
+rxn:1:60589:23661,CN1C[C@H](C(=O)NCc2cn(Cc3c(C4CCC4)n[nH]c3C3CC3)nn2)C=C2c3cccc4[nH]cc(c34)C[C@H]21,KERDTRFVUPAWDC-FQRUVTKNSA-N
+rxn:1:60629:37884,O=[N+]([O-])c1cc(F)c(-c2cn(-c3nc4c5ncnc4n3[C@@H]3O[C@H](COP(=O)(OP(=O)(O)O)OC[C@H]4O[C@@H](N5)C(O)[C@H]4O)[C@H](O)C3O)nn2)c(F)c1,PZSNOPLCSYQFFA-HHRKPJJMSA-N
+rxn:1:60646:4338,C=C(C)Cn1c(SCc2cn(C3CCN(S(=O)(=O)c4ccc5c(c4)OCO5)C3)nn2)nc2sc3c(c2c1=O)CC(C)(C)OC3,PQQGUGJHVMKAII-UHFFFAOYSA-N
+rxn:1:60728:23283,C[C@H]1CC2=C(SC=C[C@H]2n2cc([C@H]3CC[C@@H](N(C)C(=O)OC(C)(C)C)CC3)nn2)S1(=O)=O,WAULXLFDLIWEOF-YIOZNXECSA-N
+rxn:1:60728:23284,C[C@H]1CC2=C(SC=C[C@H]2n2cc([C@H]3CC[C@H](N(C)C(=O)OC(C)(C)C)CC3)nn2)S1(=O)=O,WAULXLFDLIWEOF-IUVQAAGXSA-N
+rxn:1:60860:11505,Cc1ccnc(N(Cc2cn(CC(=O)N3CCOCC4CCCCC43)nn2)S(=O)(=O)c2cccs2)c1,CAFQRGIIRXXDSW-UHFFFAOYSA-N
+rxn:1:61128:23663,CN(Cc1cn(C2CN(C(=O)c3ccsc3)C2)nn1)C(=O)[C@@H]1C=C2c3cccc4[nH]c(Br)c(c34)C[C@H]2N(C)C1,FPJITIAGMWDHMP-MZNJEOGPSA-N
+rxn:1:61139:8959,COc1ccc(C(=O)N2CC(n3cc(CN(CC4CCCO4)S(C)(=O)=O)nn3)C2)cn1,AYDVAWADWAQALD-UHFFFAOYSA-N
+rxn:1:61248:8959,COc1cc(C(=O)N2CC(n3cc(CN(CC4CCCO4)S(C)(=O)=O)nn3)C2)ccn1,ZYWNNLZMZIZTNR-UHFFFAOYSA-N
+rxn:1:61623:23470,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(=O)(=O)n4cc(-c5cnc6cccnc6c5Cl)nn4)OC(C)(C)O[C@@H]23)O1,CEEVNNVKVOQILU-UUIWEUTOSA-N
+rxn:1:62062:19255,COc1cccc(C(C2CC2)n2cc(-c3cn([C@@H]4C[C@H](n5cc(C)c(=O)[nH]c5=O)O[C@@H]4COP(=O)(O)O)nn3)cn2)c1,OYAKPAKGGDOZOS-UYIVERNISA-N
+rxn:1:62271:24119,O=C(O)[C@@H]1CC[C@@H]1c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,AOYCUESHUOAZOD-ALKAOZPISA-N
+rxn:1:62271:29043,O=c1c2cccnc2[se]n1Cc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,ZWXPNMNAAAIZSD-UHFFFAOYSA-N
+rxn:1:62271:37714,Nc1nccc(Cl)c1-c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,ZSHYKTGFJHXRBX-UHFFFAOYSA-N
+rxn:1:62271:37755,N#Cc1ccc(Cl)cc1-c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,WICNFWAXUOBHNK-UHFFFAOYSA-N
+rxn:1:62271:38856,O=c1c(Br)cccn1Cc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,TYFDLRCQEDNQPM-UHFFFAOYSA-N
+rxn:1:62271:38894,Cc1ccc(F)c(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c1,JNKVAUZCSRPMAZ-UHFFFAOYSA-N
+rxn:1:62271:39809,O=c1ccc(Cl)cn1Cc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,VVMDYBRYVJWULA-UHFFFAOYSA-N
+rxn:1:62271:39841,NC(c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1)c1ccccc1F,UDIVWDPTOJWSCG-UHFFFAOYSA-N
+rxn:1:62271:39842,NC(c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1)c1ccccc1Cl,GXFBDSPWYIPIFW-UHFFFAOYSA-N
+rxn:1:62271:39843,NC(c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1)c1ccccc1Br,PCCIUZNEVDTWBB-UHFFFAOYSA-N
+rxn:1:62271:7161,O=c1c(Cl)cccn1Cc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,MHHWOWILMBNVGT-UHFFFAOYSA-N
+rxn:1:62271:7165,O=c1ccc(F)cn1Cc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,RTWUQGQTVCMCCU-UHFFFAOYSA-N
+rxn:1:62271:7756,N#Cc1cc(Br)cc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c1,MGRKNGYLTIZSOV-UHFFFAOYSA-N
+rxn:1:62271:7845,N#Cc1cc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)ccc1Cl,HRMHUOUDMJTZJR-UHFFFAOYSA-N
+rxn:1:62271:8635,N#Cc1cc(Cl)cc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c1,JLUZUKHUIMIWTO-UHFFFAOYSA-N
+rxn:1:62271:8840,CC(O)Cc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,XGJXJVXHJWOZTM-UHFFFAOYSA-N
+rxn:1:62297:28109,N#CCC(O)C(O)c1cccc(-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)c1,JYFJZHYILQUTOK-UHFFFAOYSA-N
+rxn:1:62483:22920,CC1(C)OC2COC3(COS(=O)(=O)n4cc(-c5cncc(-n6nc(C7CNC7)cc6I)c5)nn4)OC(C)(C)OC3C2O1,DEOOYFREUVPYQR-UHFFFAOYSA-N
+rxn:1:62610:7472,C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]2(O[Si](C)(C)C)c1cn(S(=O)(=O)n2ccnc2)nn1,NSWOIROYFHWOEP-VPNBNBKUSA-N
+rxn:1:62610:7590,CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1C=C[C@@]2(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cn(S(=O)(=O)n2ccnc2)nn1,LNJYEAPARFXKQG-GXRSWDEASA-N
+rxn:1:63713:16740,ON=Cc1cnn(-c2ccc(-c3cn(CCCN4CCC(C(F)(F)F)CC4)nn3)cc2)c1C1CCCCC1,MHSBHIIUOJRROG-UHFFFAOYSA-N
+rxn:1:762:54836,O=[N+]([O-])c1cc(C2C(CCn3cc(CN4CCC(NCc5n[nH]c6c5CCCCC6)CC4)nn3)C2(F)F)cc2[nH]ncc12,YEQLEAABKCWXOW-UHFFFAOYSA-N
+rxn:1:762:54861,O=[N+]([O-])c1ccc(C2C(CCn3cc(CN4CCC(NCc5n[nH]c6c5CCCCC6)CC4)nn3)C2(F)F)c2ncccc12,ZNSLGSMEJNHVBO-UHFFFAOYSA-N
+rxn:1:867:62271,O=c1ccc(Br)cn1Cc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,PMCZHAOMWQUCEI-UHFFFAOYSA-N