Added 225 molecules from epoch 16464 for Q8R090

Q8R090_molecules.csv

@@ -34638,3 +34638,228 @@ rxn:2:85634:103279,,
 rxn:2:88126:73364,,
 rxn:2:88151:116503,,
 rxn:2:92343:116614,,
+03F32C4FA49CFE56_ED11B97383E62FA5_6034_UN,NC1=CC2=C(C=C1)N=C(S)N2CC4=C(C=C3OCOC3=C4)Cl,WAVWQBONMIUUBU-UHFFFAOYSA-N
+05EFEC57A18BA197_F54559755138A2B1_6034_UN,CCCCCNC(=N)NN=CC1=CN(C2=C1C=C(C=C2)OC)C3OC(=O)C(=C3Br)Br,YWPRSLMAMBYHAY-UHFFFAOYSA-N
+0681F15E2639C484_02B72A48D33CAA01_6041_UN,O=[N](=O)C2=C1OCCC1=CC(=C2)NC3C4CC(C3)C(C4O)O,KHOMIIIXFNBLQW-UHFFFAOYSA-N
+068295227527B4AA_B304C282119389AA_6034_UN,NCC2=CC1=C(CCC1)N(C2=O)CC3=CC(=CC=C3)C4=CC=C(C=C4)F,ZTHXSBVUJJPHEA-UHFFFAOYSA-N
+06B034F2A5FA47A8_2712AF6413D10B68_7022_UN,CSC1=C(C=CC(=C1)OCC23CCC(C2(C)C)CC3)F,XNAOHJIVNNDSGF-UHFFFAOYSA-N
+07D7C6AF8C070D33_4B63E4962CCAD01B_6029_UN,N(CC1=CC(=CC=C1)C2=CN=CO2)[S](C4=CC3=C(O)C=CC=C3C=C4)(=O)=O,MBMPQNODBLBKRW-UHFFFAOYSA-N
+09387094FDD6CA95_7C7A22B5302D62A3_6034_DP,COC1=C(C2=C(C=C1)[N](C=C2)CC34CC(CN)(C3)C4)Br,VEFKBCMHIBYTPH-UHFFFAOYSA-N
+094799E2FB7FF373_3A04A1A537101D37_6034_UN,ClCC1=CC2=C(C=C1)N(C(=O)O2)CC45CC3(CC(CC(C)(C3)C4)C5)C,COILKLUZRYCZAB-UHFFFAOYSA-N
+0D7CD90AC30D85E0_F01262BF126DEF2E_6031_DP,N1CC2(C1)C3(CC(O2)(C3)CN)C(=O)OCCCNOC,URHYSVANWCUNBW-UHFFFAOYSA-N
+1010A12B2C63CFBA_503E22D3989535EC_6035_UN,COC1=NSC(=C1)[C@@H](C)OC2=C(OC)C=CC(=C2)CCCN,XJSLPHXOUCLYCG-LLVKDONJSA-N
+12E0018542C9B8FC_6A28BC49FCD6DBE8_6039_UN,O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)CC(C34CC(C)(C3)OCC4)=O,FVRXKOGSHISNMY-MMZRUNHDSA-N
+153C11AB9C4EA4A7_A7E2BED28829B6DD_6038_UN,COC(=O)C14CC(C1)(CNC(C3=CC2=C(C(=C(OC)C=C2OC)OC)[NH]3)=O)C4,KRSAQJZEGXCTFP-UHFFFAOYSA-N
+16D83513B24BDE9D_A9C723E5A6A4EA18_6041_UN,O=[N](=O)C2=C1C=CC=NC1=CC=C2NC34CC(OC3)[C@@H]([C@@H](C4)O)O,CEFWJNLOMXTDDQ-ZHGJTGPASA-N
+17D3E140615C6585_D3493FC2C0D62961_6034_UN,NCCC1=CN(C2=C1C=C(N=C2)Cl)CC3C(=C3C)[Si](C)(C)C,HRRWYBNQTDBYLB-UHFFFAOYSA-N
+18A676F1FD69612A_BB16749DA15B5528_7015_UN,N(C1C(CCC1)C2CC2)[S](C[C@@]34CC[C@@H](C3(C)C)CC4=O)(=O)=O,OVESSVITHUTAFZ-SEVFCGSRSA-N
+19581D8FFA8213F0_D96D933759CB90B7_6041_UN,COC1=C(C=CC(=C1)NC23CC4(C)CC(C2)(CC(C3)(C4)F)C)C#C,XUSWHUJTLSYOHN-UHFFFAOYSA-N
+1A5463CBD2A460D7_30E50DAF5F3D90B3_6034_UN,COC(OC)C1=CC=C(C#N)C(=O)N1CC#CC2=C(OC)C=CC(=C2)Cl,VFKLQCOJZYUMGM-UHFFFAOYSA-N
+1DCD5B0063A76178_CC7E2866995F120A_6038_UN,N([C@H]1[C@H](CCCC1)F)C(C34CC2(CC(CC(C)(C2)C3)C4)F)=O,BHJLCAFAZNBGHR-JOJSCWBSSA-N
+1DED61D010D326A9_928C33B819EA8671_6038_UN,CN(C)[CH]4C[C]3(C[CH](NC(=O)C2=CC=C(C[N]1C=CC(=N1)[N](=O)=O)O2)C3)C4,VZEKPBWUCCMXME-UHFFFAOYSA-N
+2222617E77F766E0_9A9BB0E4D81CD595_6041_UN,SC1=C(C=CC=C1)N[C@@H]2C3=C(OCC2)C=CC(=C3)C#N,KQWXDIUJVWGJTG-ZDUSSCGKSA-N
+22F4A0CF29437D07_5E0E9DB739832652_6041_UN,SC1=CC(=C(C=C1)C#N)NCC2=CC(=C(C=C2)C3CC3)F,MPTDEBJAZXNDLC-UHFFFAOYSA-N
+263D00C115FC580F_2EADD41921F4E789_6038_DP,OC(=O)C(NC([C@@H]1C[C@H]1C2=CC(=C(C=C2OC)C)OC)=O)C3CCCCC3,XZFCBJDCTGGDJJ-FSGMKPHLSA-N
+2849D99C286AC263_4BA19CFF8CD23A93_6041_UN,C[Si](C)(C)C#CC1=CC(=CN=C1)NC2=CC(=C(C(=C2)F)I)F,SUXUSVZRSFAAAZ-UHFFFAOYSA-N
+29A6F38ACCEFD66E_D983017B2D7AC166_6034_UN,NCC1=CC=C(C=C1)C2=CN(C(C=C2)=O)CC3CCNC4=C3C=CC(=C4)F,MVJUVOWXPLTQLS-UHFFFAOYSA-N
+2B8949203015BE08_7735E02220259A81_6034_DP,COC(CN1C=C(C#N)C(=O)N(C1=O)CC34OC2(CNC2)C(C3)(N)C4)OC,MFVVSZHDQLWTLA-UHFFFAOYSA-N
+2BD76F04AD97E3D1_068DC1A855A15EC5_6041_UN,OC(=O)[C@@H]1CCO[C@H]1C2=CC(=C(C=C2)NCC#CCN(C)C)F,SFZIGAQCNFBPIS-CJNGLKHVSA-N
+2DA8A376B6C91AD8_BC08307383DDE570_7005_UN,COC1=CC(=CC2=C1[NH]C(=N2)CC45CC3(CC(CC(C)(C3)C4)(C)C5)C)C#N,FMGHJPIMHSWRCH-UHFFFAOYSA-N
+2E7F5C830ADA733C_09556DD537F4BA50_6031_UN,COC13CCC(CC1)(C(=O)OC[C@@H]2CC[C@@H](N2)C(F)(F)F)C3,WHQOEJYJMGIVAP-YWBBTBBSSA-N
+2FF4CA6E752380C0_4233E0B9A046FD82_6035_UN,CN(C)[C@@H]1COC[C@H]1OC2=N[NH]C(=N2)C3=NC=C(C=C3)Br,DUBJPGXWMYOXAX-GHMZBOCLSA-N
+3146DF72C799BAB4_E6A7C365B366ED0B_6041_DP,C[Si](C)(C)C#CC1=CC(=CC=C1)NC24CC(OC23CNC3)(C)C4,HQUKEEBJCZWJEL-UHFFFAOYSA-N
+31EAE6D875A0A946_A2E8DF9CF68219C5_6041_UN,CN(C)C1=NC(=CN=C1)NCC2=C(C=CC(=C2)C3OCCO3)F,VIUALPJZVAXGNB-UHFFFAOYSA-N
+32DBBDEC88F0E245_2CBE5B27F7FAB635_6041_UN,OC(=O)[C@@H]1C[C@H]1C2=C(C=C(C=C2)NC3C5CC4CC3CC(OC)(C4)C5)F,XVYUSKKNEVCQRD-YUYGSYQJSA-N
+356FB49F974BCA31_57157B3C86B892E6_6029_UN,OC1=CC2=C(C=C1)C=C[N]2[S](C3=CC=CC4=C(F)C=CC=C34)(=O)=O,QHKVWYCGDVKDFB-UHFFFAOYSA-N
+37651A223605C8BB_5A3696652D06CAC7_6034_UN,NCC1=CC2=C(C=C1)N(C(=O)O2)CCC3=CSC=C3Br,PVARLKPVZWWNEZ-UHFFFAOYSA-N
+3784CB0A4C7636A3_31BA1DC7B130D7CA_6034_DP,COC(OC)C1=CC=C(C#N)C(=O)N1CC34OC2(CNC2)C(C3)(N)C4,NAXAHUCKIBZDMG-UHFFFAOYSA-N
+379E5D67CAD16356_167ED7001FF6FF83_6038_UN,N(CCC1C[S](CC1)(=O)=O)C(=O)C23CCC(CC2)(C#C)CC3,IIYUQTYYYIWTRH-UHFFFAOYSA-N
+39BC188DE2F2E8AD_02C659B621D9BA81_6041_UN,C[N]1N=CC(=C1N[C@@H]3[C@H](OC2=C[N](C)N=C2)COC3)F,ONMWALIUZOXUNV-WDEREUQCSA-N
+3BB61AC09AB07C9E_1D9D654205512378_6038_UN,O(C1CC2(C1)CC3CCC2C3)C(CCC4CC(OC)C4)=O,GADRELCQWCACKZ-UHFFFAOYSA-N
+3BF411C9283B0F66_F99DA8D8359EDA17_6041_UN,C[Si](C)(C)C#CC1=CC(=NC=C1)N[C@H]2[C@@H](CCCC2)OC3=C(C=CC=C3)F,MUGLYIUFCLAXKV-TZIWHRDSSA-N
+3C188CBC2E979E88_64221FABA35C4D6D_6034_UN,CC(C)(C)C1=CC=C(CN)C(=O)N1CCNC2=NN=C(C=C2)Cl,PYQSGJQZKOBWJD-UHFFFAOYSA-N
+3C5C19D7D64BA809_D5D26C41EECBABB4_6038_UN,N(C1=C(CCC1)C#N)C(C2=C(C)C3=C([NH]2)C=C(C=C3F)F)=O,FGMBYZDCCXAYCO-UHFFFAOYSA-N
+40D8807C4E512546_DE37E2743725972B_6035_UN,COC1=NSC(=C1)[C@H](C)OC2=C(OC)C=C(C=C2OC)CN,UBQVUFABGQQJNP-VIFPVBQESA-N
+410F9555CDD5C507_06D38428FED38AF8_6041_DP,N4CCC1=C(C(=CC=C1NC23CC(OC2)[C@@H]([C@@H](C3)O)O)[N](=O)=O)C4,LHKHSBCGXUVZNL-YHNBSYBMSA-N
+449C3FF448EE4C0A_0ED3EB8DC67E8445_6041_UN,O[S](=O)C1=C(C=CC(=C1)F)NC2=CC3=C(C=C2)CCC3=O,CSGBXYGDIGPWAO-UHFFFAOYSA-N
+44FD74EE7857C64C_53A2EB8DA2931B1A_6034_UN,NC(=N)NCCC1=CN(C=N1)CC2=CC(=CC(=C2)Br)C#N,UIKGMULJMMFWNG-UHFFFAOYSA-N
+45E43415694AAA19_EDFADEDD847417E1_6035_UN,CN(C)[C@H]1C[C@H](CC1)OC3=C2C=CC(=NC2=NC=N3)Cl,PIRSYSRJRCMLRM-ZJUUUORDSA-N
+463D497C6D798BD4_7BEAE3D541511500_6041_UN,COC(OC)(OC)C1=CC(=CC=C1)NC23CC4CC(F)(C2)CC(C3)(F)C4,CKWNHLAKKYUTRG-UHFFFAOYSA-N
+4887D2154411E873_4BC0C0D52EE0AA56_6041_UN,OC(=O)[C@@H]1CCO[C@H]1C2=CC(=C(C=C2)NCCC3=CN=C(N(C)C)C=C3)F,QSQAICIPTHDCCX-BEFAXECRSA-N
+496E94E608E16A3F_6A6C47068F615175_6004_UN,OC(=O)C1=C(C=C(C=C1Cl)C3=C2CCCCC2=CC=C3)[N](=O)=O,NIMIJLMCBILGEC-UHFFFAOYSA-N
+4CCFDA429C51FBFD_FF906DDCA1BE3588_6028_UN,N(C1=C(CCC1)C#N)[S](C2=NC(=C[NH]2)C3=CC(=CC=C3)Br)(=O)=O,KYDNWMDWHGLIGG-UHFFFAOYSA-N
+4DB6B5E4B1082D57_D21F49BF1EA7E27B_6034_UN,NCC1=CC2=C(C=C1)N(C=N2)CCN3C=C(C#N)C(=O)NC3=O,BERSULKWTRHTNJ-UHFFFAOYSA-N
+503CE7A28FDC5B53_4DDDA4705BB0451B_6029_UN,N(C2=C1C=C(C=CC1=CC=C2)O)[S](C4=C3CCCC3=CC(=C4)Cl)(=O)=O,XZDWDSFGPOZMTA-UHFFFAOYSA-N
+50720A04BA1D501D_C7AE84ECD897BD0E_6029_UN,N(C1=CC=C(C=C1)N2C(C=CC2=O)=O)[S](C4=C3CCCC3=CC(=C4)F)(=O)=O,CDHMXKBEIPQVQG-UHFFFAOYSA-N
+507BF7C5F1084504_D7B6C7B5A1245E45_6041_UN,O=[N](=O)C2=C(C=C1OCOC1=C2)NC3C[C@H]([C@H](C3)O)O,BPUTWMKIFOZWNV-VYCNMEMJSA-N
+527E2D3A160A463E_758827AD87EE7BF8_6041_UN,O=[N](=O)C2=C(C=C1OCCOC1=C2)NC3=C(C=C(C=C3F)SC#N)F,CXTUJTAVYGENPG-UHFFFAOYSA-N
+5315A0E73F6A9F77_7EF61EC94DA3DFF8_6041_DP,COC1=C(C(=CC(=C1)C=NO)NCC2C(CN2)(C)C)OC,QWVMEIXGBLACGD-UHFFFAOYSA-N
+53EE1D11D4AAD8C8_189F91CC8DC2BD66_6041_UN,O=[N](=O)C2=C(C=C1OCCOC1=C2)NC4C[C@H]3C[C@H](C3(C)C)C4=C,JXGBYELPWDYWDG-OJRHAOMCSA-N
+548D0F8284FD453C_CBED797E14D653CB_6041_DP,C[Si](C)(C)C1=C(N=C(C=C1)NCCCC2CCCN2)F,KDNYXNOGKFBYOH-UHFFFAOYSA-N
+54F447DA5C43A182_EF2DEDCAF622F497_6003_UN,O(C1CC(C1)[N]2C=C(C=N2)[N](=O)=O)C3=CC=C(C=C3C(OC)=O)[S](=O)(=O)Cl,HMUDUZFIMZHDDI-UHFFFAOYSA-N
+5551C67B132F2BC0_ADB24586088FB850_6038_UN,O([C@@H]1CCOC2=C1C(=CC=C2F)F)C(C45CC3(CC(CC(C)(C3)C4)C5)C)=O,YTFYDVYVFHHABB-VDZJRBAYSA-N
+56199E2DB93BF384_0BE7FB73DF3D6678_6041_DP,CSC1=C(C=C(C=C1)NC24CC(OC23CNC3)(C)C4)C#N,XJFATRIOTIVJRD-UHFFFAOYSA-N
+567463889EA4F3C6_99280E9CF712B78D_6029_UN,N(C1=CC2=C(C=C1)CCCCC2=O)[S](C4=CC=C3OC=CC3=C4Cl)(=O)=O,POBYKAANFMGGSV-UHFFFAOYSA-N
+579FA57A4F7B5EF7_18D6DB1F99B36B4E_6041_UN,C[N]1C=CC2=C1C(=NC=C2)NCC3=C(C=CC(=C3)C4OCCO4)F,STUHFEQBBVQNDI-UHFFFAOYSA-N
+5871E3B4F33A7DE6_D651D8AAEE91C120_6041_DP,CN(C)CC1=CC(=NC=C1)NCC2(COCCNC2)F,CIPYJAKDXHWNQT-UHFFFAOYSA-N
+58CE20F0C68FD83E_88F84DF6486A7EEA_6041_UN,NOCC1=CC=C(C=C1)NC3C2=NNC(N2CCCC3)=O,AQXJUYBZKRBFIH-UHFFFAOYSA-N
+5D614E654030B168_2E11E281BF210E16_6038_DP,COCC13CC(C1)(CNC([C@H]2C[C@@H](C)NCC2)=O)OC3,DLFYTFQETNXOMO-HGWMRPEMSA-N
+5F0E074F42D4D550_233CD84F746A10CB_6038_UN,N([C@@H]1CC[C@@H](CC1)[N](=O)=O)C(C23CCC(OC)(CC2)C3)=O,ZYEUODHOLGLKPD-AVJIGQEQSA-N
+5F52E5DB243C1A48_B528EA5413A37AD6_6038_UN,O(C1CC(C1)[N]2C=C(C=N2)[N](=O)=O)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]5C[C@@H]45,SGGPOPZSNMVKEG-KOXVNSJHSA-N
+601553F82D985F1E_093DFD60003F2773_6035_UN,CCC(OC1=NSC(=C1C#N)SC)C2=CC(=C(C(=C2)OC)OC)OC,IMCPXPKZSBUWJW-UHFFFAOYSA-N
+61C647E2890D0D19_77A302C4742B75AB_6041_UN,OC(=O)[C@@H]1CCO[C@H]1C2=CC(=C(C=C2)NCCC3=CC(=C(OCC)C=C3)OC)F,IZQAZOMHUOGQFJ-IERDGZPVSA-N
+624B1151D1A7CF94_EF404DE62028541B_6041_UN,OC(=O)C1=C(C=C(C=C1F)N[CH]2C[C](C2)=[C]3CC3)[N](=O)=O,VDJLJOZSGIHRTK-UHFFFAOYSA-N
+62CFA3E9AB03A337_BFCF612410A792C3_6029_UN,N(CCCN2C=CC1=C(C=CC=C1)C2=O)[S](C4=C3OCCC3=CC(=C4)F)(=O)=O,KWWRAKSVWDNTQQ-UHFFFAOYSA-N
+646080FE34931A1A_D137D285B0092AFD_6041_UN,SC1=C(C=C(C=C1)C#N)N[C@H]2C4=C(OC3(C2)CCCC3)C=CC(=C4)F,XCBOLBYRCZXICC-QGZVFWFLSA-N
+64AF2E2DD2560F4E_15D07A88E0E1320E_6038_DP,OC3CC(NC([C@@H]1C[C@H]1C2=CC(=C(C=C2OC)C)OC)=O)C3[N]4C=CC=N4,LZHBPRCLBFHNOC-YQBUTTRJSA-N
+6511179932EB91FB_7997BA33072EE133_6029_UN,N(CC1=CC=C(C=C1)C2=CC=CC=C2)[S](C4=CC3=C(O)C=CC=C3C=C4)(=O)=O,AAYSZEWCBAIALS-UHFFFAOYSA-N
+6713E04AF7087661_30CAED6306B2D240_6038_DP,NOCCCNC(C1C2=C(CCN1)C=C(C=C2)C#N)=O,GNLSLMVSSWQQNC-UHFFFAOYSA-N
+6A17B7E0636F160B_1D3D3C16E6FE2D63_6035_UN,COCC34CC(COC2=C(C=C1C(CCOC1=C2)=O)F)(C3)OC4,GRAWBCOEDIOSIH-UHFFFAOYSA-N
+6BDCF19E28FA8E85_93FD1173E597D68D_6034_DP,CC(C)CC1=C(C(N(C=N1)CC23CC(CN)(C2)C3)=O)I,SRSTVFPWSHXLDM-UHFFFAOYSA-N
+6E0258E09E19BB9D_168FE37689C0EB25_6041_UN,SC1=CC(=C(C=C1)C#N)N[C@@H]2C3=C(CCC2)C=CC(=C3)F,SFTFHRJGJLHLOA-INIZCTEOSA-N
+6E0D26A51A0A21D0_3F6216F9CA345139_6006_DP,C2(=C(C=C1C(CCC1=C2)=O)[S](=O)(=O)Cl)C3=CC=C(O)C=C3,JXNYDLUORYCCEJ-UHFFFAOYSA-N
+71E21E9CC083D5E0_F1C11E4D71214083_6041_DP,CC1=C(C=CC(=C1F)NC24CC(OC23CNC3)(C)C4)C#N,VGKFLOMDZURPJI-UHFFFAOYSA-N
+72165DC632C6329E_237C9E1DC430F43C_6034_UN,CN(C)CCNCC2=NC1=C(C=CC=C1)C(=O)N2CC3=C[N](N=C3[C@H]4CC[C@@H](C)O4)C,YBRQHCZNXMEPBJ-OXQOHEQNSA-N
+724ECC1DDD39C8DE_36D16BEEF3A5017F_6038_UN,COCC23CC(COC(C=C1CN(C)CC1)=O)(C2)OC3,NSCNVYGRZGXDQM-UHFFFAOYSA-N
+725A21C00F86DC16_1CACF4A3E3049788_6041_UN,OC(=O)C1CC2=C(C=CC=C12)N[C@@H]3C4=C(CCC3)C(=CC=C4)[N](=O)=O,FHAWJSCXHRQLBY-LYKKTTPLSA-N
+77982DC86DBB13D0_F0C18AF51BF1CE27_6034_UN,CCC2=CC1=C(C=CC(=C1)OC)N(C2=O)CCC(C3=CN=C[N]3C)CN,AUZUORNIISRNFD-UHFFFAOYSA-N
+791C4288A14A83EE_8F27147B5BEFB491_6041_UN,ON=CC1=NC=C(S1)N[C@H]3[C@H](C2=CC(=C(C=C2OC)C)OC)C3,XAOBSAIGBXTLAM-CMPLNLGQSA-N
+791F05B323EFA8FB_D23F6D4B77F0BC10_6035_UN,CN(C)[C@H]1C[C@H](CC1)OC2=CC3=C(C=C2)N=CN=C3Cl,VSPZFVOTYPRSKD-MNOVXSKESA-N
+7CBCE3729615B5AC_94B3E95B0AF06A61_6029_UN,N(C1=CC3=C(C=C1)N=CN(C2=CC=CC=C2)C3=O)[S](C4=CC5=C(C=C4)OC=C5)(=O)=O,VXXABNAJAGMPCA-UHFFFAOYSA-N
+7E0F4D95FCB7C3AB_59056CAA6CD167E4_6038_UN,COCC13CC(C1)(CNC([C@H]2N(C)C(CC2)=O)=O)OC3,OYWTWJZHDHHPMP-FNBIGBAISA-N
+7F72E1D3D069809B_7A04960DA368F1AB_6031_UN,CC1NC(C[S](C1)=O)C(=O)OCC23CCC(CN)(CC2)OC3,HQGLEIQBQQPUTR-UHFFFAOYSA-N
+800158CFB56B8AAA_58948F0514E7C8E0_6038_UN,COCC13CC(C1)(CNC(C2=CC=C(C(OC)OC)O2)=O)OC3,KRSQGHVZOUSXBT-UHFFFAOYSA-N
+81FD70C3867E2CFD_C9D0665989249A02_6038_UN,COCC23CC(COC(=O)[CH]1CC[C](=[C](F)F)CC1)(C2)OC3,HJGIXFSPIZCJQK-UHFFFAOYSA-N
+8304EB51CB1619AE_5E35FA5C6D9F6257_6029_UN,N(C1=CC3=C(C=C1)N=CN(C2=CC=CC=C2)C3=O)[S](C5=CC4=C(C=CC=C4)O5)(=O)=O,LOADSACUHKQWOG-UHFFFAOYSA-N
+832A8E15F04B40C9_2847A9132ECF5E1C_6034_DP,ClCC1=CC(N(C=C1)CC34OC2(CNC2)C(C3)(N)C4)=O,XSVCYSXXRMVDMH-UHFFFAOYSA-N
+854CD04A657C8D34_149F8C67978D9D25_6041_UN,OC(=O)C2C3CC1=C(C=CC=C1C23)NC4=C(OC)C=CC=C4[N](=O)=O,ZHAXPEPAOJPPBJ-UHFFFAOYSA-N
+854CD04A657C8D34_1B72C7D77B697E80_6041_UN,OC(=O)C2C3CC1=C(C=CC=C1C23)NC4=C(OC)C=CC=C4[N](=O)=O,ZHAXPEPAOJPPBJ-UHFFFAOYSA-N
+854E8E934D3FD710_9EDDFDEBB0EE4F79_6039_UN,CC(C)(OCC1=CSC(=N1)C2=CC(=C(OC)C=C2)OC)C[N]3C=CC(=N3)[N](=O)=O,ZOWYJCDTXQWRQB-UHFFFAOYSA-N
+85BAD01247206A4F_F1D3E0FC2F2BF588_6034_UN,NC2=C1C(N(C=CC1=CC=C2)CC34CC(N)(C3)C5(O4)CCC5)=O,NFAVATADSNDGSD-UHFFFAOYSA-N
+85F77ABFDD132150_62730F782D1CF331_6038_UN,CN(C)CC1=CSC(=N1)CNC(C3=C(C2=C[N](C)N=C2)ON=C3)=O,LOPQGYBSOBOPOK-UHFFFAOYSA-N
+868E19CC77674619_F20C6B8E844DB1AD_6041_UN,OC(=O)C1=CC2=C(C=C1)C=CC=C2N[C@@H]3C4=C(CCC3)C(=CC=C4)[N](=O)=O,ZRHADKDNWOVQRA-SFHVURJKSA-N
+86A364175AC82FA3_A416763199D6FC1F_6003_UN,O(C1(CC1)C2CC2)C3=CC(=C(C=C3C(OCC)=O)[N](=O)=O)F,LPTUYRRZVHYDBZ-UHFFFAOYSA-N
+87128DD94F609BE9_E6FBCD6B671B2685_6029_UN,N(CC1=C[N](=CC=C1)=O)[S](C3=C2C=CC(=CC2=CC(=N3)C)Cl)(=O)=O,VISBKOAYFRLSIM-UHFFFAOYSA-N
+89665B29B2E80F7A_E91B6FEFE837F834_6041_DP,CSC1=C(C(=CC=C1)NC24CC(OC23CCNCC3)(C)C4)C#N,OUVGAAGTTPROCN-UHFFFAOYSA-N
+8984BB6C4A1EC1CA_22BC895E63215D18_6041_DP,CN(C)CC1=CN=C(C=C1)NCC2(COCCNC2)F,GELKLDGAWHXEDH-UHFFFAOYSA-N
+8A0D250D9B7B9B84_2D93D503131B7CBF_6029_UN,N(CC1=CC=C(C=C1)C2=CC=CC=C2)[S](C3=CC=CC4=C(O)C=CC=C34)(=O)=O,USHQMQCYZHWGTL-UHFFFAOYSA-N
+8ADA8D7F737FDA1D_27FEB6D3C9AABC54_6035_UN,CN(C)[C@H]1C[C@@H](CC1)OC3=C2C=CC(=NC2=NC=N3)Cl,PIRSYSRJRCMLRM-NXEZZACHSA-N
+8B14D3727DE171B4_7519042939B90212_6041_UN,O=[N](=O)C1=CC2=C(C=C1)[NH]C=C2NC34CC(OC3)[C@@H]([C@@H](C4)O)O,IYBDDWVOKGSOEG-FEWQNLEASA-N
+8B713AC99CA620F6_03C099A67A87CC41_6038_UN,COC(OC)[C@@H]1C[C@H]1NC(C23CCC(C2(C)C)CC3)=O,PGTAMVVTSMQABT-YZUGKSJVSA-N
+8C7104C76B3821D0_6D0AFA2C07C287A3_6034_UN,NCC1=CC2=C(C=C1)N(C(=O)O2)CC[N]3C=CC4=C3C=CC(=C4)Cl,ZHBZKOPYTOGEES-UHFFFAOYSA-N
+8DD4E126B430CFF9_2C8C3AC7617E5100_6034_UN,NC1=CC2=C(C=C1)N=C(S)N2CC4=C(C=C3OCOC3=C4)Br,QVAXVNYFVYZRIX-UHFFFAOYSA-N
+8DDFD0104B314B94_023BCA783FA0868A_6034_UN,BrC1=CC2=C(N=C1)N(C=C2)CC3(COCCN3C)CN,DXFKAURPHKUVBQ-UHFFFAOYSA-N
+8E8B24516CAE8ADB_2E03C4FD9F76D59C_6041_UN,SC1=CC(=C(C=C1)C#N)NC3=C2OCCCC2=CC(=C3)F,MLSWWLWTBUJTGW-UHFFFAOYSA-N
+911653D4B6F22277_A11B823715AC98BB_6041_UN,C[Si](C)(C)C#CC1=CC(=CN=C1)N[C@H]2[C@@H](CCCC2)OC3=C(C=CC=C3)F,YYENFKPBXCORSU-IFMALSPDSA-N
+9168E81CE09BB668_B9F1B5C0E87A9CCB_7019_UN,C[N]3N=C(C=CC1=C(C=CS1)C2OCCO2)C(=C3Cl)I,RYTDPEYBMNSECO-UHFFFAOYSA-N
+91B47E3712EE81AA_3D50EBD56BAB450F_6041_DP,C[Si](C)(C)C#CC1=CC(=CC=C1)NC24CC(OC23CCNCC3)(C)C4,CLBOGYFTBLYMSD-UHFFFAOYSA-N
+91BBC464E2FD3C02_C25E45E6EBD70215_6041_UN,O=[N](=O)C2=C(C=C1OCOC1=C2)NC3CC[C@H]([C@H](CC3)O)O,YSTZNTFUUFIVSK-FOGGPMGISA-N
+93BF50DDF9CB1B05_1D75F44E23C9E034_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N[C@H](C)C2=CC3=C(C=C2)OCO3)S,KPNSMLMALIISEF-SECBINFHSA-N
+94CB66815EA24893_08DE47844A54B988_6041_UN,COC1=CC(=CC(=C1)OC)C2=NOC(=N2)NC34CC5(C)CC(C3)(CC(C4)(C5)F)C,AXGLNERNLHTUBX-UHFFFAOYSA-N
+98BB7B7A4185429C_0ECA4D2C0D45B341_6035_UN,COC1=NSC(=C1)[C@@H](C)OC2=C(OC)C=C(C=C2OC)CN,UBQVUFABGQQJNP-SECBINFHSA-N
+9A219A4759040394_FF913043FAA4F496_6034_UN,BrC2=CC1=C(CCCC1)N(C2=O)CC3=CC=CC(=C3)CN,HFLYHJNSNPHPCO-UHFFFAOYSA-N
+9AA3F57FE80F0923_868D40261A11CC9B_6038_DP,COCC13CC(C1)(CNC(C[C@@H]2CNC[C@H]2C)=O)OC3,LYDKSPUJTRBHQP-HGWMRPEMSA-N
+9B0ADD1D53AC3BC4_557591173FC3F2B5_6041_UN,C[N]1C=C(C2=C1C=CC=N2)NCC3=C(C=CC(=C3)C4OCCO4)F,CVTQIRGFXDEZLN-UHFFFAOYSA-N
+9BCB8AC695FA641E_B79FCDBE8165479C_6034_UN,NCC1=CC2=C(C=C1)N(C(=O)O2)CCCC3=COC=C3C,BMQHOQRRYADHDM-UHFFFAOYSA-N
+9C3FE415A404A674_12A1356BDF5E23E8_6034_UN,NC(=N)NCCC1=CN(C=N1)CC2=CC(=C(C=C2)F)OC,YODUNAWGLCITCW-UHFFFAOYSA-N
+9C4520ECA20FB5D0_8223B90C0438EDA6_6038_DP,CSCC[C@H](NC(C13CC(OC12CNC2)(C)C3)=O)C(=O)NO,ZSCNENSDTGNSSZ-ALXWSUNGSA-N
+9E58607591DC9E80_328A6AC4D2F77105_6041_UN,O=[N](=O)C2=C1C=NC=CC1=CC=C2NC34CC(OC3)[C@@H]([C@@H](C4)O)O,HWKZLFJDLZIMBT-ZHGJTGPASA-N
+9F1F06C225A62513_A612D8D201F309A5_6039_UN,CC1=C(C(=CC(=C1)C=C2SC(=S)NC2=O)C)OCC3CC(=O)O3,QQRYEFLCGPGYFI-UHFFFAOYSA-N
+9F973788D8FF04CF_A9E7B9A425040AB6_6041_UN,NC(=O)NC1=CC(=C(C=C1)NC2=C(CC(C)(C)CC2)C#N)F,ZXCUZSGEHMMZNP-UHFFFAOYSA-N
+A035A967489D8E6D_6B056E49FEC13EFA_6035_UN,CN(C)[C@@H]1C[C@@H](C1)OC3=CC=C2C(=CC(OC2=C3C)=O)CCl,SOTWLRXFXIEULL-BETUJISGSA-N
+A16D9AE48241B15D_CE73CCB52E63BBE4_6041_DP,C[Si](C)(C)CCOC[N]1C=CC2=C1N=CC=C2NCC(=C3CNC3)F,VGFKIPVPJLYYSZ-UHFFFAOYSA-N
+A38DCE82B6BEFF07_8D3D64DD69DF08B8_6038_UN,N(C1=C(CCCC1)C#N)C(C2=C(C)C3=C([NH]2)C(=CC(=C3)F)F)=O,FUVZCCRZFMLWAC-UHFFFAOYSA-N
+A50C730BED2A10DD_26789011CC648B5E_6041_UN,O=[N](=O)C1=CC(=CC=C1)NC3=C(C=C2OCCCOC2=C3)S,JVNMOATWBDEYKR-UHFFFAOYSA-N
+A50C730BED2A10DD_75B9D69A0C7577A5_6041_UN,O=[N](=O)C1=CC(=CC=C1)NC3=C(C=C2OCCCOC2=C3)S,JVNMOATWBDEYKR-UHFFFAOYSA-N
+A50C730BED2A10DD_A6EA521444112F2E_6041_UN,O=[N](=O)C1=CC(=CC=C1)NC3=C(C=C2OCCCOC2=C3)S,JVNMOATWBDEYKR-UHFFFAOYSA-N
+A762C0477C392393_EEAF1F6A984B948B_6034_UN,COC2=C(C=C1C(N(C=CC1=C2)CC34CCC(C3(C)C)CC4)=O)Cl,JVWZVEUNAMAWFY-UHFFFAOYSA-N
+A78BEE34304413C8_0BCD8A884A928EDC_6034_UN,BrC1=CC2=C(C=C1)OC(=O)N(C2=O)C[C@]3(COC[C@@H](C)N3)CN,JQLDAMJPBOQGBP-PSLIRLAXSA-N
+A7EF60069C1B223B_6FD3D0A1CED3EED5_6035_UN,COC1=NSC(=C1)[C@H](C)OC2=C(OC)C=C(C=C2OC)CCCCN,WLMMVEWKNHYRAG-LBPRGKRZSA-N
+A81B58C27CEBA371_BE97913F0F915A85_6041_UN,O=[N](=O)C1=C(C=CC=C1NC3C2=CC=CC(=C2CCC3)C)C#N,SMERUXVUTFYZJD-UHFFFAOYSA-N
+A907A131AB957843_D69E0C39ACCA5183_6041_UN,CN(C)C1=CN=C(C=C1)NCC2=CC=C(O2)C3=CC=C(C=C3)F,OSUCELYVKPQYDK-UHFFFAOYSA-N
+AAC3C776404547B0_C94CDE7275D79AAE_6038_UN,O(CC1CC2CCC(C1)[S]2(=O)=O)C(=O)C34CCC(F)(CC3)CC4,QEXJOFKTXDDGIV-UHFFFAOYSA-N
+AC4680EDEDEF24F6_7D87C70FF0031FD9_6004_UN,OC(=O)C1=C(C=CC=C1C2=C(C=C(C=C2)C3CC3)F)[N](=O)=O,XWMQGYHUHVOMHM-UHFFFAOYSA-N
+ACC47D047DD68F5D_5724DDAA1A76344F_6039_UN,O(CC[N]1C=CC(=N1)[N](=O)=O)CC2=CSC(=N2)C3=C(C=C(OC)C=C3)OC,WMAFWEYXZIMNBU-UHFFFAOYSA-N
+AE639568BA914191_9A9F4A175B64F887_6034_UN,NCCNC1C(N(C(C1)=O)C[C@H]2NCC[C@@H](C(C)(C)C)C2)=O,QHVCANUUQXPFHA-OJRHAOMCSA-N
+AF2E7428E730A12B_E9D38C1F2A1D2AF3_6041_UN,SC1=CC(=C(C=C1)C#N)NC2CC=C(CC2)C3=CC=C(C=C3)F,BXVOLTLPVXHLDC-UHFFFAOYSA-N
+B09090B6A07D1A08_4226AA8B16F24C33_6034_DP,FC2=C1C(N(C=CC1=CC=C2)CC34CC(CN)(C3)OC4)=O,MIGWULSOZDQHKP-UHFFFAOYSA-N
+B09090B6A07D1A08_732EC1A7E97CDD7F_6034_UN,FC2=C1C(N(C=CC1=CC=C2)CC34CC(CN)(C3)OC4)=O,MIGWULSOZDQHKP-UHFFFAOYSA-N
+B217B2BB2B264A63_0240D954EEAFF3E6_6041_UN,SC1=C(C(=CC=C1)C#N)N[C@H]2C4=C(OC3(C2)CCCC3)C=CC(=C4)F,IQBQHGUOLPQRGQ-MRXNPFEDSA-N
+B237BC6A86A2DD03_39F0132B2FF21B25_6035_UN,CN(C)[C@@H]1COC[C@H]1OC3=C2C=CC(=NC2=NC=N3)Cl,DNLWAHQBKZMGNR-NXEZZACHSA-N
+B3571360E664722A_6B08C3E412521501_6029_UN,N(C1=CC2=C(C=C1)CCC2=O)[S](C4=CC3=C(C=C(Cl)C=C3)C=C4)(=O)=O,VCWAJKVEFLPNBN-UHFFFAOYSA-N
+B4E7EC68FC38258D_1D8939D77772625D_6034_UN,CCCCCNC(=N)NN=CC1=CN(C2=C1C=C(C=C2)OC)CC#CBr,KFKMOJOSCSJWLG-UHFFFAOYSA-N
+B853CDCADAA752C2_A9C5173DA37FE3F0_6034_DP,NCCN1C=C(C#N)C(=O)N(C1=O)CC2=C[N](N=N2)C3=CC(=C(C=C3)F)Cl,YDNVSGIENAMCGV-UHFFFAOYSA-N
+BA5284920EE54BB5_81446FAFC2B7D95E_6039_UN,COCC34CC(COCC(NC2=C([N](=O)=O)C=C1OCOC1=C2)=O)(C3)OC4,MZNKOEJQJKKELU-UHFFFAOYSA-N
+BAF7D58ADDFD48FA_AF1BE613BA3952DD_6034_UN,ClC1=CC2=C(N=C1)N(C=C2)CC3(COCCN3C)CN,JMGPBSVNLLAWKH-UHFFFAOYSA-N
+BB1AEE058A764ECC_C1C484FDEB65E049_6038_UN,N(C1=C(CCCC1)C#N)C(CSC2=NC=C[N]2C(C)(C)C)=O,ZQWFUXLHOQFZAQ-UHFFFAOYSA-N
+BC57D13BC45E8254_A5E89CD47EB5193C_6034_UN,COC1=CN=C(N(C1=O)CCNC2=NN=CC=C2)C(C)(C)N,UDKXUKRZGNPCMB-UHFFFAOYSA-N
+BCE93FCC59CF1270_ECD9555F65AE52CF_6034_UN,NC(=N)NCCC1=CN(C=N1)CCCC2=CN=CC(=C2)OC,YCWOPUAOYVQYTM-UHFFFAOYSA-N
+BE7DC8AEA8E09EEE_55535782285B31B1_6041_UN,OC(=O)[C@@H]1C[C@H]1C2=CC=C(S2)NCCC3=CC(=C(OC)C=C3C)OC,QARJWXRTHLGTGZ-ZIAGYGMSSA-N
+BF32A49C99196621_183B05453A2E17A5_6035_UN,CN(C)[C@H]1C[C@@H](CC1)OC2=CC3=C(C=C2)N=CN=C3Cl,VSPZFVOTYPRSKD-GHMZBOCLSA-N
+BF6EB72D1F9914BC_FD40DC7CE86BC014_6035_UN,CN(C)[C@@H]1C[C@H](C1)OC2=CC=C(C3=C2N=C(C)C=C3)CCl,PJIVPQWITIFBGP-HDJSIYSDSA-N
+C0106FC287BF3C16_B3BA17F34C9AABDB_6035_UN,CN(C)CCNCCOC2=CC=C1C(=CC(OC1=C2C)=O)CCl,VCEBDYCSDNIOTK-UHFFFAOYSA-N
+C13FCC63692EE9F6_998740F733D6A97E_6031_DP,N2CC1(F)CC(C1)(C2)C(=O)OCC4C[C@H]3CC(OC)([C@H]3C4)OC,GZAKVMBNUHLBTA-IKZJNQNNSA-N
+C2173D1DBF5A4A7B_B53845AF19402F5D_6041_UN,FC1=C(C=CC(=C1)C#N)[N]2C=C(C=N2)NC45CC3CC(CC(C)(C3)C4)(C5)C,OKYDNSFZGKIVHT-UHFFFAOYSA-N
+C2B0B56373F2CC6E_A4646E3EFB92456E_6039_UN,O(CC[N]1C=CC(=N1)[N](=O)=O)CC(NC2=NC(=CS2)C3=C(C=C(OC)C=C3)OC)=O,VORNWARQOFOKGF-UHFFFAOYSA-N
+C54941AC7D5BEDAD_0E723149552FC2EA_6035_UN,CN(C)[C@@H]3CCC[C@H](OC1=N[NH]C(=N1)C2=NC=C(C=C2)Br)C3,FUOSUJKHVLOOOS-NEPJUHHUSA-N
+C617FAAE8C5B4F44_2F2203F2B88C019F_6035_UN,CC1=CSC(=N1)[C@H](OC2=CC(=C(C=C2CC=C)OC)OC)C(F)(F)F,NTULBLTXQQIVLH-HNNXBMFYSA-N
+C65DE090FF8BFC61_9439E6FE7F6BF07D_6004_UN,OC(=O)CC1=CC(=C(C=C1)C2=CC3=C(C=C2)C=C(Cl)C=C3)[N](=O)=O,CNEQIFVMLTUSDT-UHFFFAOYSA-N
+C79E8A78E00E4226_6EB6995391ECDC08_6003_UN,O(C1CCC1)C2=CC(=C(C=C2C(OCC)=O)[N](=O)=O)F,DNYMFNFWKBJNMI-UHFFFAOYSA-N
+C7AA1E71F9EA91E5_AAA040347C730496_6039_UN,CCCC[C@H](OCC1=CSC(=N1)C2=CC=CC(=C2OC)OC)C(F)(F)F,CDBBGUVXXMNIDQ-HNNXBMFYSA-N
+C7FFFA7550FFA63A_2DB86FC36405D00A_6029_UN,N(C1=CC3=C(C=C1)N=CN(C2=CC=CC=C2)C3=O)[S](C5=C4OCCC4=CC(=C5)F)(=O)=O,HASGCIUORZMQHP-UHFFFAOYSA-N
+C90B22BA35ADEC09_4384C83AD2CBFBFF_6034_DP,CCN1C=C(C#N)C(=O)N(C1=O)CC34OC2(CNC2)C(C3)(N)C4,TUPINRCJXNMNHY-UHFFFAOYSA-N
+CBA224DF9F516C8A_382733278F96B874_6041_UN,O=[N](=O)C2=C1OCCC1=CC(=C2)NC3[C@H]4CCCC[C@@H]34,PSUMTGXXNMSHCX-ONXXMXGDSA-N
+CC2B57499CAB2B8E_400B550AC2D26DF5_6029_UN,N(CC1=C[N](=CC=C1)=O)[S](C2=C(C=CC=C2)C3=NC=CO3)(=O)=O,ONUFRBJJKSFAFB-UHFFFAOYSA-N
+CCBCB753B4BD061B_6D5567B077B24206_6035_UN,CN(C)CCNCCOC2=C(CC)C=C1C(=CC(OC1=C2)=O)CCl,XXVJVWRZNZBWAB-UHFFFAOYSA-N
+CCE74E26B731B2AE_2F32EF29BACC5DDD_6038_UN,N(C2CC1C[S](CC1C2)(=O)=O)C(=O)C34CCC(CC3)(C#C)CC4,JPICBHYAEJIGTJ-UHFFFAOYSA-N
+CDF9A5C61AAB8C2E_177F9654577A0B90_6038_UN,CCCCN(C)CCNC([C@@H]2[C@H](C1=C[N](C)N=C1)CCO2)=O,PJCBVBHPLSICOA-GJZGRUSLSA-N
+CDFD3843EE851DB0_7ECA5ED2A0A1B452_6041_UN,SC1=CC(=C(C=C1)C#N)NC2=C(C=C(C=C2)C3CC3)F,MLDPQKCRIXECJN-UHFFFAOYSA-N
+CE1524AFB3D610F4_9E66F92D934D0AA3_6041_UN,O=[N](=O)C2=C1C=CN=CC1=CC=C2NC34CC(OC3)[C@@H]([C@@H](C4)O)O,HFXHASLGUFVDDK-ZHGJTGPASA-N
+CF0A7E084F94C529_D21224D116EA953C_6034_UN,COC2=C(C=C1N(C=CC1=C2)CC34CCC(CN)(CC3)OC4)Cl,XNRHEYYFLYZJKH-UHFFFAOYSA-N
+CF4B917B13634105_1ABEEEFAAA813C2B_6035_UN,COCC23CC(COC1=CC(=CC(=C1)F)C#N)(C2)OC3,ADAQRUYVAFUJII-UHFFFAOYSA-N
+D038125466256758_46E1F42C4A318D87_6028_UN,N(C1=C(CCC1)C#N)[S](C2=NC(=CC=N2)C3=CC=C(C=C3)Br)(=O)=O,LAYRHFXHVCHHRU-UHFFFAOYSA-N
+D38F9397D3067B1B_8BAE861B58013C66_6029_DP,N(CC1=C[N](=CC=C1)=O)[S](C3=CC2=C(NCCC2)C=C3F)(=O)=O,YISOKBKQHFUECV-UHFFFAOYSA-N
+D4D3256C79FCE737_ECE064479DE38670_6041_UN,C[Si](C)(C)C1=C(N=C(C=C1)N[CH]2CC[C](=[CH]F)CC2)F,WGUHBTIDAYNTOZ-UHFFFAOYSA-N
+D60C5681C50BD98B_9BC59F724D579F6D_6029_UN,N(C1=CC3=C(C=C1)N=CN(C2=CC=CC=C2)C3=O)[S](C5=C4OC=CC4=CC=C5)(=O)=O,XMKVXGHEACUGFW-UHFFFAOYSA-N
+D680DD00E7AEBEA2_E283C21B69FEA0F8_6041_UN,C1(=CSC2=C1C=C(C=C2)C#N)NC3=CC=CC(=C3S)C,WABSBIWRPFKHHE-UHFFFAOYSA-N
+D6C6D5A3D60E7166_9121EA163466D4DF_6035_UN,CN(C)[C@@H]1C[C@@H](C1)OC2=CC=C(C3=C2N=C(C)C=C3)CCl,PJIVPQWITIFBGP-OKILXGFUSA-N
+DB2AEACAC1892759_7F48E868B4A11073_6029_UN,N(C2=C1C(CCC1=CC3=C2CCC3)=O)[S](C4=CC(=CC5=C4C=CC=C5)CCl)(=O)=O,NQGCOMSNDFDCHK-UHFFFAOYSA-N
+DB7F2D480069B439_BF19B7FA857AEA48_6034_UN,NCC1=C2C(=CC=C1)C=CN2CC4=CC(N3C=C(C)C=CC3=N4)=O,OBTXLOQYJGQSSO-UHFFFAOYSA-N
+DE4139D5B9828372_21AFCD2ED74821A6_6041_UN,O=[N](=O)C2=C(C=C1OCCOC1=C2)NC3C[C@@H]([C@@H](CC3)O)O,HYHMQJQSDPIEQY-HXBSPLPWSA-N
+DF40E4DF26CDD659_9004A24593B85680_6041_UN,SC1=C(C=C(C=C1)C#N)N[C@@H]2C4=C(OC3(C2)CCCC3)C=CC(=C4)F,XCBOLBYRCZXICC-KRWDZBQOSA-N
+DFF3782A17E0891C_4B89D735611AB42E_6041_UN,C[Si](C)(C)C1=C(N=C(C=C1)NC[CH]2C[C](C2)=[C]3CC3)F,QYODHVJTAGUUAM-UHFFFAOYSA-N
+E0BB35A0AEFE1A47_10C28E9A350D7DF7_7005_DP,COC1=CC=CC2=C1[NH]C(=N2)C34CC(OC3C)(CN)C4,FILAJJGYOZZZGT-UHFFFAOYSA-N
+E0EBAE68F9034F95_8C67370444A20241_6006_UN,OC(=O)C1=CC(=C(C(=C1)C3=C2CCCCC2=CC=C3)F)[N](=O)=O,URUNBZSKJFLGAY-UHFFFAOYSA-N
+E180B9E51FC36315_1F0D0BAAC4DBAC13_6034_UN,NCC1=CC=C(C=C1)C2=CN(C(C=C2)=O)CC4=CC3=C(C=CC(=C3)C)N=C4Cl,OSGTZAWOCBQNMM-UHFFFAOYSA-N
+E1833B1AD65B25AD_61C384F0736E7EA2_6029_UN,OC(=O)C1=CC2=C(C=C1)C=C[N]2[S](C4=C3OCCC3=CC(=C4)F)(=O)=O,DRALMOLWAMIUDN-UHFFFAOYSA-N
+E2191B775251B11D_25FAEAF3B3AAEDD4_6003_UN,O(C1CC2CCC1CC2)C4=CC3=C(OCCO3)C=C4[N](=O)=O,GBOVBYDJUQMWJT-UHFFFAOYSA-N
+E369B4D897AD8936_C10E809459017008_7022_UN,C1(=CC(=CC(=C1)Cl)C#N)NC34CC2CC(CC(C)(C2)C3)(C4)C,OKGZMRYDOOAOHF-UHFFFAOYSA-N
+E37A6A899E24D868_0C3843F8574F0169_6029_UN,N(CC1=C[N](=CC=C1)=O)[S](C2=CC=CC(=C2OC3CC3)F)(=O)=O,WFYGINVZRWPLTI-UHFFFAOYSA-N
+E487387A77439C7A_7ABE141F595B2EF8_6038_UN,COCC15CC(C1)(CNC(=O)C34CC2CC(F)(CC(F)(C2)C3)C4)OC5,YEEGUPXJXNTPSJ-UHFFFAOYSA-N
+E606454143AA3A43_DCCCB4083C641956_6029_UN,N(C1=CC(=CC=C1)O)[S](C3=C2CCCC2=CC(=C3)F)(=O)=O,NZSBNZWHPWVEQR-UHFFFAOYSA-N
+E7C45661D5B34799_F9A57A21635BAD13_6034_UN,NC2=C1C(N(C=CC1=CC=C2)CC34CC(N)(C3)C5(O4)COC5)=O,CERLBERFXNQQRB-UHFFFAOYSA-N
+E91FA3FD142FF101_B0D8B8D22D5FDF7C_6041_UN,O=[N](=O)C2=C(C=C1OCOC1=C2)NC3C[C@@H]([C@@H](CC3)O)O,DUYAQVCHUVIUPY-RFSDDRETSA-N
+E9345BEFB59AC5AF_72E9E0A23D93E420_6041_UN,FC(=C)C1=CC(=CC=C1)NC23CC4(C)CC(C2)(CC(C3)(C4)F)C,NDHZTIRZHLUMPC-UHFFFAOYSA-N
+E9A447466B1383BC_510B40E156AD0DA6_6041_UN,C[N]1C=C(C2=C1C=CN=C2)NCC3=C(C=CC(=C3)C4OCCO4)F,BALRZQCVNJREPF-UHFFFAOYSA-N
+EC7D1915EC786C58_203C42CD51D74954_6038_DP,COCC14CC(C1)(CNC(C[C@@H]2CC3(CN2)CC3)=O)OC4,GDAHMUNUMPXKGX-UWTIGNOOSA-N
+ED1654DF86B51F52_0764582322CC2A31_6035_UN,CN(C)[C@@H]1C[C@H](C1)OC3=CC=C2C(=CC(OC2=C3C)=O)CCl,SOTWLRXFXIEULL-JOCQHMNTSA-N
+EDBE3E86549CF036_90B858E23ACC23B6_6041_UN,COC1=C(C(=CC(=C1)NCC23COC(C)(CC2)C3)F)F,WQNPDFSNIMYSLW-UHFFFAOYSA-N
+F03CC3111BC48A9E_A9C222A2B993E44C_6038_UN,N([C@H]1[C@H](C1)CF)C(C34CC2(CC(CC(C)(C2)C3)(C)C4)F)=O,WDVWVVPIBVTEIL-ULKAAYNESA-N
+F05709C9ABF0C9D6_67A4A4CD78747DED_6031_DP,CN1[C@@H]([C@H](CC1=O)C(=O)OCC34OC2(CNC2)C(C3)(N)C4)C5=C([N](N=C5)C)C,FRYFWDHZVBYXDT-BMZSRIMKSA-N
+F321DE44766992DE_5CB3A4BCE802B514_6029_UN,OC1=C(C=CC=C1)C2=CC=N[N]2[S](C3=CC=CC4=C3C=C(C)C=C4)(=O)=O,JSLALPMHQKSPOE-UHFFFAOYSA-N
+F3C852E926D1A48D_1A00F9BF50953736_6041_UN,CC1=CC=C(C=C1)C2=N[NH]C=C2NC34CC5(C)CC(C3)(CC(C4)(C5)F)C,DOOLSXJKOMTHBQ-UHFFFAOYSA-N
+F6D286E0BA7523C0_C237F73F210AC060_6034_UN,N#CCC1=CC2=C(C=C1)N(C=N2)CCN3C=C(CN)C(NC3=O)=O,OUGNPBFMPHRHGA-UHFFFAOYSA-N
+F8AA53EBDD340736_7019A0BCD11F7620_7009_UN,C[N]1C=C(C(=N1)[N](=O)=O)[S](=O)(=O)NC(C2=CSC(=N2)C3=CC(=C(OC)C=C3)OC)=O,RQPISJHPUGSANJ-UHFFFAOYSA-N
+F8D68158AB8D190C_C3D05431692E1C2F_6041_DP,C[Si](C)(C)C1=C(N=C(C=C1)NC2(CCCNC2)CC=C)F,GZHBTQSVGRMRIR-UHFFFAOYSA-N
+F9BE9FE7C87E0D79_67C7C3FE3B7493B0_6038_DP,COCC15CC(C1)(CNC(C34CC(C2CNC2)(C3)C4)=O)OC5,JDLALWHLLQKFHH-UHFFFAOYSA-N
+FBAC29887130C7BC_988C6161A61C91FF_6038_UN,CN(C)[CH]4C[C]3(C[CH](NC(C1=CC=NC2=CC(=N[N]12)C)=O)C3)C4,LUTUIVOAEFXPTM-UHFFFAOYSA-N
+FBDC9185D8294521_90634535B308F357_6041_UN,C[Si](C)(C)C#CC1=CC(=CN=C1)N[C@H]2[C@H](CCCC2)F,HUURHMDCJJJGGW-JKSUJKDBSA-N
+FC0F1C22A8CF3B37_214668AB86ECFCC2_6034_UN,NC(=N)NCCC1=CN(C=N1)CC2=CC(=C(C=C2)Cl)OC,FVCRMNXFPRDQMN-UHFFFAOYSA-N
+FE76CA5604D379D9_F6A20D6E9F7A4985_6041_UN,FC1=C(C=C(C=C1)C2=NNC(C=C2)=O)NCC45CC3CC(CC(C)(C3)C4)(C5)C,FMCJFEHOGIMRBK-UHFFFAOYSA-N
+rxn:2:103228:67099,,
+rxn:2:111113:111958,,
+rxn:2:111958:111113,,
+rxn:2:124603:69184,,
+rxn:2:136447:105331,,
+rxn:2:139610:119403,,
+rxn:2:145494:118307,,