Added 268 molecules from epoch 15587 for P23975

P23975_molecules.csv

@@ -13547,3 +13547,271 @@ FBD2C830A64FCEAA_10AF9F4593813BE4_6035_UN,COC1(CC3(C1)COC(COC2=CC=CC(=C2C)Cl)C3)
 FF054C10A109536B_E0C3FBA8FE54C14C_6038_UN,N(C1C2CCCC(CC1)C2=O)C(C3=CC=CC(=N3)C(OC)=O)=O,KAOWTUHHRQAGLX-UHFFFAOYSA-N
 FF07CB2B06327E5D_869C305151C08421_6038_UN,N(C1C2CCCC(CC1)C2=O)C(=O)C[N]3C=CC(=N3)[N](=O)=O,UNIRKUGGBWYZHH-UHFFFAOYSA-N
 FFADA0DC8C73BFCB_21CF23A84C8F510D_6041_DP,CSCC1=C(C=CC=C1)NCC2CNCC3(O2)CCC3,QYDUJSGYWYNPJI-UHFFFAOYSA-N
+0059693AEFE76CA3_C328F72C31DBF498_6035_UN,CC(C)(C)C1(CNCC1)OC3=C(C=C2OCCOC2=C3)Br,OWPYRYSGGNKQMI-UHFFFAOYSA-N
+009DA89D22AB440D_64FD763357382073_6029_UN,CCOC1=N[N](C=C1[N](=O)=O)[S](C2=CC=CC(=C2CBr)F)(=O)=O,LCQQDMIXAWPDIY-UHFFFAOYSA-N
+0222D495C8F0DDE7_C1BA998267F25B6B_6041_DP,CC1=C(C=CC(=C1F)C#N)NCC2CNCC3(O2)CCC3,PDVSNUQWYUTLIE-UHFFFAOYSA-N
+029801A6A880C8F5_28416D37F58CB31F_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(C=CC(=C2)OC)C(=O)C(C)C)(=O)=O,AFQDMAKRZLCSLB-UHFFFAOYSA-N
+02BE39EB5D3AF2DB_093F6D1C96A2BDBE_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C3=CC(=C2OC=C(C2=C3)C(=O)O)C)(=O)=O,XZMYHNURLJVBCD-UHFFFAOYSA-N
+03A6F64942B1C8F5_D85B275C5CFE1F50_6031_DP,NC[C@@]1(F)CC[C@@H](C1)C(=O)OCC2(F)CNCC23COC3,LLDDHDSRKHNLIP-CMVMAMJTSA-N
+03E2DBDF3B7A539C_22565A5366E1F1B3_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CN=C(F)N=C2)(=O)=O,KCIDDCKARMWVCY-UHFFFAOYSA-N
+062F13C785DA80D0_A530DE6A402C7062_6041_UN,CC1=C(C=NC(=C1)NC2=C(C=C(C)C=C2)[S](=O)(=O)O)[N](=O)=O,XFOZEIQFZYUTAT-UHFFFAOYSA-N
+062F13C785DA80D0_B5A1774780B7416B_6041_UN,CC1=C(C=NC(=C1)NC2=C(C=C(C)C=C2)[S](=O)(=O)O)[N](=O)=O,XFOZEIQFZYUTAT-UHFFFAOYSA-N
+06E93A069EC60FC8_8A714EBFA322EE7F_6031_UN,CC1=C(C=C(S1)C(=O)OCC2=CSC(=C2C)C)[S](=O)(=O)Cl,WVWMYZQIUIJVOG-UHFFFAOYSA-N
+0A054E4B82D82F03_65515559F9495FCD_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC=CC3=CC=CC(=C23)C(OC)=O)(=O)=O,GMFKRWTVRMPQOR-UHFFFAOYSA-N
+0B2E053CB5813D66_234D6A55BE565E84_7019_UN,OC3(CC1CC(=NO1)C=CC2=CC=C(C)[N]2C)COC3,GBIMFVQKXJECIA-UHFFFAOYSA-N
+0B92FFE58AEE991A_E86E00BBE985F0EA_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(Cl)C=C(C=C2)CC#N)(=O)=O,LGJDLMXEWSHYJK-UHFFFAOYSA-N
+0C0D9654005EC05A_8438BD1C1CE7A111_6035_UN,C[C]4(C)C[C]3(C[CH](OC2=CC(=C1OCOC1=C2)Cl)C3)C4,BCCWGVXXYMEAAO-UHFFFAOYSA-N
+0D204698F05963FC_0E7FAA4995685C69_6029_UN,CCOC1=N[N](C=C1[N](=O)=O)[S](C2=C(C=CC(=C2)C)Cl)(=O)=O,WAFVWNLJCXHARY-UHFFFAOYSA-N
+0D204698F05963FC_B3090DD1FB0798F5_6028_UN,CCOC1=NN(C=C1[N](=O)=O)[S](C2=C(C=CC(=C2)C)Cl)(=O)=O,WAFVWNLJCXHARY-UHFFFAOYSA-N
+0D2275202AA7E0CE_D4C63330D21E1E32_6041_UN,CC1=C(C(=CC=C1)NC2=C(C=CC(=C2C)C)[N](=O)=O)B(O)O,IRKNIHSZYIODOI-UHFFFAOYSA-N
+0DF99FD8DE5E3413_89FB045AB03341CB_6026_UN,C[N]1C=CN=C1[S](=O)(=O)NC2=C(C)C=C(C(=C2[N](=O)=O)C)Br,XBFVHRBTESNXTG-UHFFFAOYSA-N
+0F42FDBFF9364E7C_2D4324B168DEF3B5_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC(=C(C(CC)=O)C=C2)Cl)(=O)=O,KDHQDSOHTCDPTF-UHFFFAOYSA-N
+1003E3D0D65D56BA_4F1F3A7583681FF1_7019_UN,CC3(C)CCC(C=CC2=CC(=C1OCCCOC1=C2)Cl)C3,TYVJBUYJHSYENY-UHFFFAOYSA-N
+11C754BD2DB5C931_69C8176DEBA0EAFA_6041_UN,C2(=C1CCOCC1=CC=C2)NCCN3CC[Si](C)(C)CC3,MLPQYPUVIKODDL-UHFFFAOYSA-N
+124017B9B9DA1BAB_06C7D42D6F7404DA_6035_UN,C[C@@H](OC2=CC(=C1OCOC1=C2)Cl)C3CCC(C)(C)CC3,BMFSDBWNVLBNTJ-LLVKDONJSA-N
+125462C7D4467D59_B5513B3413B28331_6035_UN,C[Si](C)(C)C#CC3(OC2=C(C=C1OCCOC1=C2)Br)CCOCC3,FBJQEHSATWDTOD-UHFFFAOYSA-N
+131B82B33B306486_FCB6AC3DD85D0E7C_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(C=C(F)C=C2F)Cl)(=O)=O,NGKBJPWRIBRAHZ-UHFFFAOYSA-N
+131D340783D81440_87AABB4CD5016003_6036_UN,C(C(=C)C#N)(C1=CC=CC=C1)N2CCCCCCNCC[S]2(=O)=O,YGHKJAMYMAMDSP-UHFFFAOYSA-N
+15AE5C6A036C31BD_B93B660B6F35004C_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C3=CC2=C([N](C)C=N2)C=C3)(=O)=O,MEJIZKPXSBJXNZ-UHFFFAOYSA-N
+160AC66CA98606E2_EB503D24C4B469A8_7022_UN,CC1=C(C=C(C(=C1)N[CH]3C[C]2(C[C](C)(C2)C)C3)Cl)C4CC4,ZSKAEYQFELBSDY-UHFFFAOYSA-N
+164CEFE098F3B596_DA0B231756736D8E_6035_UN,CCC(OC2=CC=C1CCCCC1=C2CN(C)C)CCBr,LGUYYAJBILOYDK-UHFFFAOYSA-N
+16656E5E331D2D25_0C39CB4D36333C7C_6038_UN,CC1=C(C=CC(=C1NC(C2=CC=CC(=C2C)[S](=O)(=O)Cl)=O)F)[N](=O)=O,JGVHPWHCHXUKHY-UHFFFAOYSA-N
+16F2B1A22D95F04C_4B3F564890532299_6035_DP,CN(C)[C@@H]1COC[C@H]1OC2=C(C=NC3=C2CNCC3)Br,XTFAHCTYDYRXAA-CHWSQXEVSA-N
+17979C25323FE1C8_56794C8CD9642881_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC(=C(C)C=C2C)O)(=O)=O,IENVKAFKNIDYQR-UHFFFAOYSA-N
+189F9BAB897125A7_3483483BB98C35BD_6041_UN,CC1=C(C=C([N](=C1)=O)NC2=CC=C(C(=C2C)C(OC)=O)C)[N](=O)=O,QRPVPFXLMZZEOQ-UHFFFAOYSA-N
+18DC89B99FBE3578_4E4BB6A602A820ED_6026_UN,CC1=C(C=C(C(=C1)[S](=O)(=O)NC2=CC=NC(=C2Br)C)C)[N](=O)=O,AVJUNBNRHVFEQK-UHFFFAOYSA-N
+1A6232D8D23A8AAA_D07B6539EC9CE7FF_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC3=C(C(=C2)I)[NH]N=C3)(=O)=O,YIIHOJRZZSTKGR-UHFFFAOYSA-N
+1A6D4627908EA3B6_108D3730D1D78AB3_7009_UN,N([S](=O)(=O)C1=CC(=CC(=C1)Br)C#N)C(C2=C(C)C(=CC=C2[N](=O)=O)F)=O,IBNFGWHBWAQLEV-UHFFFAOYSA-N
+1B1F5D59BD620518_E72C85A24E525882_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C3=CC2=NC(=C[N]2C=C3)C(C)(C)C)(=O)=O,KSFZVQPCKLWOTD-UHFFFAOYSA-N
+1B2199BF1D276572_652A17C4622D2A6E_6041_UN,CN4CCC1=C(C2=C([NH]1)C=CC(=C2)NC3(C)COC3)C4,GLBBBDBHFQESBG-UHFFFAOYSA-N
+1C28B7D1673113B5_26B6AB062FB1A6A8_6031_UN,O(C(=O)C2=C1OCCOC1=CS2)CCC3(C)CC3(F)Cl,DXANAGFZLVTAQC-UHFFFAOYSA-N
+1F01F91B3E52384C_957CDB829D6C078B_7019_UN,C[N]1C(=NN=C1C=CC3=CC=C2OCCOC2=C3F)C4CCC4,HPIPOHFGSGGATJ-UHFFFAOYSA-N
+1F935C55B9FFE466_F2BECFBAFD28B0ED_6028_UN,CCOC1=NN(C=C1[N](=O)=O)[S](C2=C(C)C=CC(=C2)Br)(=O)=O,WNQDDVLZIMUAKU-UHFFFAOYSA-N
+1FC35C2487887E2F_6C112AF05D6FD483_6035_UN,CC(C)(C)N3CCC(OC2=C(C=C1OCCOC1=C2)Br)C3,BIEVBASZJKWFMX-UHFFFAOYSA-N
+2133A56D076F4526_93E9BEA480D54C8F_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC(=C(O)C=C2Cl)Cl)(=O)=O,QSRJAUMQFWHUSS-UHFFFAOYSA-N
+2302D65C5FE7C602_9FF865A5ACB57D60_6034_UN,NC1=NC=C(N1C[C@H]2[C@@H](CNC2)C3CCOCC3)C4=CC=C(C=C4)Br,HLWYTYKERNTKCJ-RDJZCZTQSA-N
+2481C41FCA05A618_C1C349C04EA9A8FC_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C3=C[N]2C=C(C(O)=O)C=C2C=C3)(=O)=O,FIODYLLTDVDDOD-UHFFFAOYSA-N
+26BC23095F3B2804_86B1DCAF947CF0E7_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(C)C=C(C=C2Cl)C(=O)O)(=O)=O,GRJIACOXYPNZLF-UHFFFAOYSA-N
+27026FDBF457D323_61D6EF2E80E8D245_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(C)C=C(C=C2)CBr)(=O)=O,ODGJKAJRCNTBDK-UHFFFAOYSA-N
+27763E40522D3B64_F21A24331F5B2621_6035_UN,CC(C)(OC2=CC(=C1OCCC1=C2)Br)C3CCCCC3,AUFITNVPZJWSCD-UHFFFAOYSA-N
+2889E9DDB41CAEC0_D166253E7D944AA8_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=NC(=C(C)C=C2)C#N)(=O)=O,GDMMCLATWFQRDT-UHFFFAOYSA-N
+2936F30786739FEF_CF1EEE12161DD49E_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(F)C=CC3=C2N=CC=C3)(=O)=O,KKPRXBWADDYXCS-UHFFFAOYSA-N
+294EC3F4C2C1A0A0_C58CE2F58A03E1FD_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC=CC(=N2)OCCOC)(=O)=O,WTJDXSHUKMPGHV-UHFFFAOYSA-N
+2C89703169BA7D36_3063D8B6D1D30E81_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(N=C(N(C)C)N=C2)C)(=O)=O,DLHIZIOVGIOSMY-UHFFFAOYSA-N
+2E4200D56309F40F_EBD57BF31F7CA667_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC3=C(N=C2)[N](C(=N3)C)C)(=O)=O,JZDBTJBQZDXYMF-UHFFFAOYSA-N
+2EC70CED4B85712D_D3938EAB45FCBDF0_6029_UN,CC1=C[N](C(=C1C)C)[S](C2=CC(=C(N(C)C)N=C2)Cl)(=O)=O,GNLHCKWZCOTKSF-UHFFFAOYSA-N
+30C45D50E8FEC71A_B280B237926EE9FE_6038_DP,N1CC(=C(C1)C#N)NC(C2=C(C)C=CC=C2[N](=O)=O)=O,LBQZHMWMCUPSOJ-UHFFFAOYSA-N
+31111219AF870860_42C941DEDE5CAD7E_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(OC)C=CC(=C2)C#N)(=O)=O,DGNHIHADLATXCK-UHFFFAOYSA-N
+32193636D7AE4C82_31B0E6F4B6616B26_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC(=C(C=C2)O)OC)(=O)=O,IWSPJKBCYSMCPJ-UHFFFAOYSA-N
+332EE6470AAF758E_0ED700675EDF129B_6041_UN,OB(O)C1=CN=C(C=C1)NC2=C(C)C=C(C(=C2)C)[N](=O)=O,ZKABPDVBXMKPJF-UHFFFAOYSA-N
+332EE6470AAF758E_1F4FA3B556EA1961_6041_UN,OB(O)C1=CN=C(C=C1)NC2=C(C)C=C(C(=C2)C)[N](=O)=O,ZKABPDVBXMKPJF-UHFFFAOYSA-N
+3393B69FF4277F10_5AA8AA551138AF77_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC(=CC(=C2)C3(CC3)C#N)F)(=O)=O,YMWHBLNVTNFRCT-UHFFFAOYSA-N
+36D080AB62B8C254_50189CD09726CB7F_6041_UN,OB(O)C1=CN=C(C=C1)NC2=C(C)C=CC(=C2C)[N](=O)=O,GVHCQKPWPMXCBM-UHFFFAOYSA-N
+3791D21EE98FA10E_7CB5658AB76EA9E9_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C3=CC2=C(C=C([S](Cl)(=O)=O)C=C2)C=C3)(=O)=O,GRHJHBVGFOWEMS-UHFFFAOYSA-N
+38CD7B619D2CC1B4_BE1B49A18C98CA78_6041_UN,FC2=C(C=C1OC=CC1=C2)NC3(C(C)(CCCC3)C)C,IKDBBDMRYBMPQB-UHFFFAOYSA-N
+3A1AC31EE6ECF8E4_52621F6E3A38C55D_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(OC)N=CC=C2)(=O)=O,UHEGEPGYQRZRCQ-UHFFFAOYSA-N
+3ACC16A29200DD62_167A9C542B5B298D_6035_UN,CC(C)(C)[C@@H]1CCCC[C@H]1OC3=CC(=C2OCCC2=C3)Br,CSFSLFZBHWZEOB-GDBMZVCRSA-N
+3D1A826DB817012B_F415C2F9092AB38D_6039_UN,CSC3CCC(OCC1=CC(=CC2=C1OCOC2)F)C3,CTNDXTDJCIGVNZ-UHFFFAOYSA-N
+3DE7D35AE5B6C68A_D5BF44EC2FBF84DE_6026_UN,CC(C)C1=NC(=C[N]1C)[S](=O)(=O)NCC2=CSC(=C2)Br,YSCVQVWNNFPORK-UHFFFAOYSA-N
+3FB4F2A0E5BFF086_EE8011CAE282627A_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(C=CC(=C2)Cl)[S](=O)(=O)Cl)(=O)=O,ORCDLZJYFYTYJG-UHFFFAOYSA-N
+43BE543E0F4FE8F1_EBD766673DD920D3_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC3=C(N=C2)[NH]C(=N3)C4CC4)(=O)=O,ZFSBXMUUUZIVJJ-UHFFFAOYSA-N
+4446D581B4F20FEC_3878547E302859F9_6041_UN,C[N]1C(=NC2=C1C=C(C=C2)F)NC3(CCCCC3)C4CC4,MBJOAGRXCFOQKE-UHFFFAOYSA-N
+4600F71B2646544E_66103699DDDE7BC6_2201_UN,CN3C[C@@H]2CC1=C(C4=C(N=C1[C@@H]2C3)C=C(C=C4)Cl)C5COCC5,OQRXGGDHOMHKPQ-OZGRPGILSA-N
+463AF3F5283FBC6B_F383A6B58B067B20_2201_UN,CN3C[C@@H]2CC1=C(C4=C(N=C1[C@@H]2C3)C=C(C=C4)Cl)C5COCCC5,ATFPZZBQBJDDAW-PMBLOPFUSA-N
+467C804416EFDA60_FD61A6121D02ECAC_6003_UN,CC1=N[N](C)C(=C1OC2=CC=C([S](N)(=O)=O)C=C2[N](=O)=O)C,JABSOEBLURDGRB-UHFFFAOYSA-N
+46D5B8EAE5BFD7B6_B4E052294801F6D5_7022_UN,C1(=C(C=CC2=C1OCO2)F)NC3(C(C)(CCCC3)C)C,MFCHLWCLBUTNCS-UHFFFAOYSA-N
+47885C1D458B3F44_A850DC2B44FD0160_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC=CC(=C2F)C)(=O)=O,VAVSWEAPQSLKSN-UHFFFAOYSA-N
+47983DFE04518E0B_5C3578FD670650D4_7022_UN,CC1=C(C=C(C(=C1)NC2(CCCCC2C)C)Cl)C3CC3,RHOQCURNMBCTFO-UHFFFAOYSA-N
+488E0C4BC520E8A1_82F7C3F75863BB0E_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(Cl)N=C(N=C2)C3CC3)(=O)=O,QEJPKWREXPEJGN-UHFFFAOYSA-N
+48A38DF95B1C4DBF_384BBD7D8B7204E4_7022_UN,CN(C)CC1=C(C=C(C=C1)NCC2ON=C(C2)C3CC3)F,PVODIXKYHHNTMX-UHFFFAOYSA-N
+4C1A4AF7F21C87BF_02A059B34E832140_6035_UN,CC3(C)CCC(OC1=CC2=C(C=C1)OCCCO2)(CC3)C#C,VTBRELDQZTWSCG-UHFFFAOYSA-N
+4E263548718CA788_884AACB1E7D8D9EE_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(C(=CC=C2)C#N)I)(=O)=O,PMHNJJAIMNEIKW-UHFFFAOYSA-N
+4EC3F53F97DFE2A0_F9F112235B29A343_6035_UN,CC(C)(C)N[C@@H]1COC[C@H]1OC3=CC(=C2OCOC2=C3)Cl,DQVIUFYALXEPGP-DGCLKSJQSA-N
+510067864F3FBD9A_06C2C9413FEABE67_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C3=N[N]2C=CC=CC2=N3)(=O)=O,ZEIBYLGOODKEOA-UHFFFAOYSA-N
+512B3E3F2883E1E9_E4E377928AFF53A8_6041_UN,FC2=CC(=C1OCOC1=C2)NC(C)(C)C3CCCCC3,GTLMNOMYULUXSB-UHFFFAOYSA-N
+52A2AF523DF43636_880D0E1550225F43_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC=CC(=N2)Cl)(=O)=O,KQULIMFKILGNDD-UHFFFAOYSA-N
+537553F495DBC3D1_5CB3FDB669875E43_6035_UN,CC(C)(C)[C@@H]1CCCC[C@H]1OC3=C(C=C2OCCOC2=C3)Br,GOLKQOAYRBBBQF-TZMCWYRMSA-N
+55F5AFCFC83EE04A_11A2AF5CD14AEB07_6041_DP,[NH]1C(=CC2=C1C=CC=C2)NCC3(CCCC(C)(C)C3)C,MJBGPGXMFJJYOJ-UHFFFAOYSA-N
+5776D1498D2A7B49_7FD7C3AD53DFD97E_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(O)C=CC(=N2)I)(=O)=O,PDXBLBMJOVOOHZ-UHFFFAOYSA-N
+5800B58862A98CE7_E05FC434B625D9E2_6039_UN,O(C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)O)CC(NC3=C(C)C=CC=C3[N](=O)=O)=O,NGHUYPJIVFVHCV-UHFFFAOYSA-N
+5865001EFFAA7A28_BE43AF9BF8DD1FDF_6039_UN,O([C@H]1CCOC2=C1C=CC(=C2)F)CC3COCC(C)(C)O3,VBSQUQJBUZEWRT-PYMCNQPYSA-N
+5979EE1E3C2B9701_987A3ECC7E80D21D_6031_UN,N[C@@H](C(=O)OC[C@H]1N(C)CCOC1)C23CC(C2)(C(F)(F)F)C3,YPOLVKHHBHCKDQ-WPMGSTCASA-N
+5D5CA32E98F0F1F0_A3354AE3C92077EF_6041_UN,CC1=C(C=CC=C1NC2=C(CC)C=CC(=C2)[S](=O)(=O)O)N=[N]#N,SLKUIWUYRXYHMA-UHFFFAOYSA-N
+5D5CA32E98F0F1F0_C8168AD622E78E2D_6041_UN,CC1=C(C=CC=C1NC2=C(CC)C=CC(=C2)[S](=O)(=O)O)N=[N]#N,SLKUIWUYRXYHMA-UHFFFAOYSA-N
+61A574E3AB579A86_59178CC87C2F01E8_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC3=C(C=C2)C=NC=C3)(=O)=O,HEBRONZWIZKGIX-UHFFFAOYSA-N
+61ADD56DB63F2081_170205499CB24366_7022_DP,CC1=C(C=CN=C1F)NC[C@@]23CCCN[C@H]2CCCC3,RFUCYGRIFCJWEB-GOEBONIOSA-N
+61ADD56DB63F2081_8A32AE22AB8B1B23_6041_DP,CC1=C(C=CN=C1F)NC[C@@]23CCCN[C@H]2CCCC3,RFUCYGRIFCJWEB-GOEBONIOSA-N
+62152EFC0513BADF_4F10694F8F109FA3_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C3=CC2=C(N=C([N]2C)CCl)C=C3)(=O)=O,NJUURMCHABMWLK-UHFFFAOYSA-N
+62500944F28FF6BD_9CC79DAE41002FDE_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C3=CC2=C([N](N=C2C)C)N=C3)(=O)=O,XYODKCJXNKXWOO-UHFFFAOYSA-N
+63990055E7B304CE_4BC75FC70CF4F2EB_2201_UN,CN(C)C3C2=NC1=C(C=CC(=C1)Cl)C(=C2CC3)C4COCCC4,ASNJUWQEHLXKTM-UHFFFAOYSA-N
+6472788ABB19DB55_88C71FFE3479190A_6031_DP,NCC1(CCNC1)C(=O)OCC2(CCNC2)C(F)(F)F,KOQGAOTWKNEAHV-UHFFFAOYSA-N
+64785B71E622627C_F70FCCF07470E849_6035_UN,COC1(CCOCC1COC3=C(C=C2OCCOC2=C3)Br)OC,CTBDVZVPZKPDCZ-UHFFFAOYSA-N
+65172A22774EF81D_B54F5647D073B765_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=NN=C(C(CC)(C)C)O2)(=O)=O,NRCXGDIYIOPJDW-UHFFFAOYSA-N
+65373A0D5DCAF26A_89E196CE73078356_6035_UN,CC(C)(C)C1(CNCC1)OC3=CC(=C2OCCC2=C3)Br,LVJBURAFFUQRGH-UHFFFAOYSA-N
+655F9C22E55F1BA1_C8C0BB4526399B55_6041_UN,FC2=C1CCCC1=C(C=C2)N[CH]4C[C]3(C[C](C)(C3)C)C4,IXJFMERZBJAVRL-UHFFFAOYSA-N
+66BAA3B72F18D9F0_ADD7F1756CB42576_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(N=CC=N2)C3=CC=CC=C3)(=O)=O,VRJIEVANOLCNOG-UHFFFAOYSA-N
+67E3CB59AE7D4E32_5E4EE3BDCCF7F299_6031_UN,CSCCC1NC(CS1)C(=O)OCC2(C)COCCN2,UVRADWCIYISIAI-UHFFFAOYSA-N
+685B90ADBDD0EC67_71A1F0250E167CA7_7005_UN,N2=C(C1=C(C)OC(=C1[S](=O)(=O)N)C)[NH]C3=CC(=CC=C23)[N](=O)=O,AVQFEOFFQPBISA-UHFFFAOYSA-N
+6ACABFD9B579D415_8E933FBA51E20598_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC(=CC(=C2O)C)F)(=O)=O,OSZXHNBMUHBMPQ-UHFFFAOYSA-N
+6B2E47978DBAAD97_22B8067B14C1B4C5_6041_UN,FC2=CC(=C1OCOC1=C2)NC(C)(C)C3CCOCC3,RDYROSDSBHOPMH-UHFFFAOYSA-N
+6BA61D6B1077758C_F607D84E5B1A2D15_6038_UN,O(CC[S](F)(F)(F)(F)F)C(=O)CC1CCC2(CC1)OCCO2,BVFUTZFXCOUMKA-UHFFFAOYSA-N
+6D85B2EE621600C1_950289BB99DE8168_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(C)N=CC=C2F)(=O)=O,DATYCKYNCBPSDX-UHFFFAOYSA-N
+6F655170D3B3DCFE_8DD69E61FFE862B0_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=NC=C(OCOC)C=C2)(=O)=O,XLNHRZQOHHZOHP-UHFFFAOYSA-N
+6FCDA0458368BFAE_F003D0C5F3A2A9C8_6039_UN,O(C1=CC=C(C=C1)[S](=O)(=O)O)CC(NC2=C(C=C(C)C=C2C)C)=O,XRNVNGWKWXXMPS-UHFFFAOYSA-N
+7341B77F69C49975_8BF2797AB2AB97ED_6041_UN,C[N]1C(=NC2=C1C=C(C=C2)F)NC4=C3CCCC3=CC5=C4CCC5,FWAFYCGZIYJOIJ-UHFFFAOYSA-N
+73C1D9E3F8A9DDB2_313BBC444B790E3D_6039_UN,O([C@@H]2CC1(CCC1)OC3=C2C=C(C=C3)F)CC4COCC(C)(C)O4,YDFBAPHQOAPXIL-FBMWCMRBSA-N
+74B46957B67A7C5E_4704511D184D02D9_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC(=C(C=C2)[S](=O)(=O)Cl)F)(=O)=O,QGOWSSGOTTYHQB-UHFFFAOYSA-N
+7654560EC4BC9303_F66A96502032E081_6041_UN,CC1=C(C(=CC=C1[N](=O)=O)NCC2=CC=C(C=C2)OCC#C)[N](=O)=O,NFCQOZPSPLMKKR-UHFFFAOYSA-N
+7775E77C3972E332_5C1961A8E49948D5_6041_UN,CC1=C(C=C([N](=C1)=O)NCC2=C(C)C=C(N(C2=O)C)C)[N](=O)=O,QGUZUGWZNARFDW-UHFFFAOYSA-N
+77996A58D13C26E2_7EFCAFF030A02972_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC=CC(=C2)CC(CCl)=O)(=O)=O,PTEVMVKWCIOJRL-UHFFFAOYSA-N
+780D062D67037CC8_6B3352CC3DF60317_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC(=C(C(OC)=O)C=C2F)Cl)(=O)=O,MDJBKFAIIORYPF-UHFFFAOYSA-N
+787C8C10E0A3DE9C_2D33EDDB122C8916_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC=C[N]3C(=CN=C23)Cl)(=O)=O,JKKYLNBPOPTXPE-UHFFFAOYSA-N
+78F33BAAF21E231F_AF21D35DA01054F3_6041_UN,FC2=CC(=C1OCOC1=C2)N[CH]4C[C]3(C[C](C)(C3)C)C4,AABFHCSREBEYBK-UHFFFAOYSA-N
+797792F3B1BD404A_57CA46F23D401E6D_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC=CC3=C2N=CC(=C3)O)(=O)=O,GCEBRDYENUCCNP-UHFFFAOYSA-N
+798423790D06A48E_2D7B0578E2BC289A_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(C)C=C(N=C2)Cl)(=O)=O,FTSQTJCZLGRNRX-UHFFFAOYSA-N
+79B8848E847C5C0B_28FD57618F554FE6_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(C)C=CC(=C2C)C(=O)O)(=O)=O,BZPZTWYEXAEMFK-UHFFFAOYSA-N
+7A20111A47E1F9BA_8A43610B8EB78C5E_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(C=CC(=C2C)C(OCC)=O)F)(=O)=O,QIBWQHNSRGRTDX-UHFFFAOYSA-N
+7B1DE21164204281_2BF6AD35000F4D16_6029_DP,N#CCCN(C1=CC=CC=C1)[S](C2=C(O)N=C(N=C2)Cl)(=O)=O,BMGISIJAHJKAAC-UHFFFAOYSA-N
+7BF40C0C7E04F1A9_ACD62060AC476934_6031_UN,NC(C(=O)OCC1CC(=NO1)C2CC2)(C3=CC=C[NH]3)C(F)(F)F,PBDMRPPCRNYLBT-UHFFFAOYSA-N
+7C1BB197B2423DF6_662B67AF1DE71960_6026_UN,CC1=C(C(=C(C=C1)[S](=O)(=O)NC(C)=CC#N)C)[N](=O)=O,GQBJYGSTXGEOMI-UHFFFAOYSA-N
+7CF719E798C18DAE_FCB88FD66A2ECB78_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(F)C=CC(=C2F)Cl)(=O)=O,DNTXBFNFJFDLDB-UHFFFAOYSA-N
+7D603385A369048F_769A8AC12F52C7FE_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C3=CC2=C(C(=NO2)O)C=C3)(=O)=O,SJEZLAKMNJLWBM-UHFFFAOYSA-N
+7E8CD41E5284FBC7_127AE904C7C4C75A_7022_DP,CC1=C(C=C(C(=C1)NCC23CCCNC2CCC3)Cl)C4CC4,BANGJBPOSQWOHF-UHFFFAOYSA-N
+8001E416F2BBC892_E3D541DC19317CB6_6031_DP,NC[C@@]1(C[C@@H]1C(F)(F)F)C(=O)OCC2OCC3(NC2)CCC3,SROLUUWGHUMPPT-QQIFVLEESA-N
+812CC6F4AC3DA7B8_F0C37D6098B004D2_6026_UN,CC1=C(C=C(C=C1)N=[N]#N)[S](=O)(=O)NC2=C(C)C=NC=C2[N](=O)=O,LLBQVOLLMNYNNC-UHFFFAOYSA-N
+87D37F9CC4A09453_CAEDFDABE3B51909_6034_UN,CN4CCC1=C(C3=C(N1CC2(C)COC2)C=CC(=C3)Cl)C4,NAICQTREGYIJMH-UHFFFAOYSA-N
+87FBA643855D6C53_6351DFDDFC269AEF_6039_UN,CN(C)[C@@H]1CCCC[C@H]1OCC2=CSC3=NCCCN23,BNHMPPICVSGYHA-ZIAGYGMSSA-N
+88C6CE710A41F2DD_C52E87086C7DFC7B_7009_UN,CC1=CC(=CN=C1)[S](=O)(=O)NC(C2=C(C)C(=CC=C2[N](=O)=O)F)=O,BYCVZVGOVYHVBW-UHFFFAOYSA-N
+88EF4819279F9C9F_71695A981D7FC21E_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C3=CC2=C(CC(N(C)C2=O)=O)C=C3)(=O)=O,GRRDDXMIHLEVDH-UHFFFAOYSA-N
+895F57C333910C89_55D5F5722A76FC59_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(C)C=C(C=C2)CO)(=O)=O,RBBZHRJMUIGAKL-UHFFFAOYSA-N
+89657ADDFE50A33E_05D240BB23A2CE42_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(C=C(C)C=C2C)C)(=O)=O,GZMMDNXXUDVYRS-UHFFFAOYSA-N
+8AF4DEB8F243A664_048B752B66FCD799_6006_UN,CC1=C(C=C(C(=C1)[N](=O)=O)C2=CC(=C(N=C2)O)C)[S](=O)(=O)N,ADGVQMGRMJCJMQ-UHFFFAOYSA-N
+8BA6DD6CB91E29F7_FC5F63F590297495_6035_UN,CN(C)[C@@H]1CCCC[C@H]1OC2=NOC3=C2C=C(C(=C3)Cl)Cl,YPSDSAAIRHHYNX-CHWSQXEVSA-N
+8C2B7535B928CE80_0F0E1F632F7E26CF_6041_UN,FC2=CC(=C1OCOC1=C2)NC(C(C)(C)C)CCC3CCCC3,OJIMWMRLKHKXBZ-UHFFFAOYSA-N
+8C81364D16CD3156_B7BD1D39F7343EFB_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC(=C(N=C2)C#N)F)(=O)=O,ACLKJWAPQFRWMH-UHFFFAOYSA-N
+8CD211C3BFA20880_0E040F4DF4D1B1E9_6039_UN,CN(C)CC(OCC1=NO[C@@H]2CCCC[C@H]12)C(F)(F)F,OYUFMMPKHLTGKA-DFWSTUSTSA-N
+8DA33EB195997575_AA8925A68A8A9412_6041_UN,CN4CCC1=C(C2=C([NH]1)C=CC(=C2)NC3(C)CC=CCC3)C4,CFGLACIRCKLANC-UHFFFAOYSA-N
+8DC30233EABCDD95_1B41E2E81BCA42E9_7019_UN,COC2(CC(C=CC1CC(C)(C)OCC1)C2)C(F)(F)F,ODNQPNJIPBRYIZ-UHFFFAOYSA-N
+8E46EB1C5E04A902_83DB2FAF173A7274_6035_UN,C[C@@H](OC2=C(C=C1OCCOC1=C2)Br)C3(C)CCCO3,HVULVRUEZUBYDB-INHVJJQHSA-N
+90BAB0D92D242876_82244E3F708BC1AD_6035_UN,CN(C)CC(OC2=CC(=C1OCCC1=C2)Br)CN3CCNCC3,JZBCVUJLRGPAMR-UHFFFAOYSA-N
+9251AEACE10E9213_9AA1769F8C94C22E_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(C(=C(OC)C=C2)F)Cl)(=O)=O,MUROPLMXBJIHAV-UHFFFAOYSA-N
+929DECA16F7F610F_3B8D932142F62E8D_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C3=CC=C(C2(O)CC2)C=C3)(=O)=O,UARRQAXQFJMZTM-UHFFFAOYSA-N
+935479A428FCB147_6168A2EB4B4C7C13_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC(=CN=C2)[N]3C=CC=N3)(=O)=O,PBVZOVWZYGHGDH-UHFFFAOYSA-N
+93ECDD4614F1210A_775C7742AC752047_6035_UN,CC3(C)CCC(OC2=C1OCCCC1=CC=C2)(CC3)C#C,MIFLOCGARAKDEL-UHFFFAOYSA-N
+94D827C7C5C358C9_C85604730527890E_6035_UN,CC(OC2=C(C=C1OCCOC1=C2)Br)CC3CCCCN3C,FSVUXVJIJWRFRQ-UHFFFAOYSA-N
+955D40B23FEA8C4C_D197DD8DEF496B7A_7019_UN,CC3(C)CCCC(C=CC2=CC(=C1OCCCOC1=C2)Cl)C3,QLPQJFHQNAVHGL-UHFFFAOYSA-N
+95FF528EF98502EB_D07892C18707227B_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C3=C2N=CC=C(C2=C(F)C=C3)Cl)(=O)=O,RKRGDFPBYNCUEV-UHFFFAOYSA-N
+9718A9334E0A9018_6924B079A621AEB1_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C3=NN=C(CC2=CC=C(Cl)C=C2)S3)(=O)=O,AHPQGCAKJIRYHD-UHFFFAOYSA-N
+97D39B0B0E58E2F7_14C4E7CC79901505_6026_UN,COCOC1=C(C(=CC=C1)C)[S](=O)(=O)NC2=C(C)C=NC=C2[N](=O)=O,KCFVWVNMEVOFHV-UHFFFAOYSA-N
+9901A34713B77CE8_32A92A28354645CD_6041_UN,FC2=C1CCCC1=CC(=C2)N[CH]4C[C]3(C[C](C)(C3)C)C4,NUIMCUSEYFMAHX-UHFFFAOYSA-N
+99BF60041CF8511F_04CF856E6B557578_6041_UN,C2(=C1COCC1=CC=C2)NCCN3CC[Si](C)(C)CC3,AVXCOTBKHRSXAD-UHFFFAOYSA-N
+99DC76AAFC1F7BEC_548840613ECEF1B0_6035_UN,CC2(OC1=C(C=CC=C1)SC(F)F)CCOCC2C3CCCN3,FKZPLUWIAZYWJB-UHFFFAOYSA-N
+9B5A7676C64F7BEF_9A7332DA821C03F7_6035_UN,CC(C)(C)C1CCCCC1OC3=CC(=C2OCOC2=C3)Cl,DVZPATYHSVIZLO-UHFFFAOYSA-N
+9BB2057E9769FE5B_BF415025B2128F33_6035_UN,CC3(C)CCCC(C)(OC2=C1OCCCOC1=CC=C2)C3,YODKICKULYLMTG-UHFFFAOYSA-N
+9BD67D6E3730F165_6F4D483D38005082_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=NC=C(C=C2)OC3CC3)(=O)=O,PDEDEEOPIKKGKV-UHFFFAOYSA-N
+9C10AA5D1208494E_FDC5455338E3464F_6035_UN,CC1=NN=C(O1)[C@H]4C[C@@H](OC2=C3C(=CC=C2)OCCNC3)CN4,TVYNGMIDOQSKRI-DGCLKSJQSA-N
+9C91201E938D22D4_D657DD03C320AC78_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC(=C(C=C2)C(=O)C#C)F)(=O)=O,KGLOLJWQQZZRJK-UHFFFAOYSA-N
+9CC87A777E6BB34D_E4999FA8A7D296A5_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC=C(C(C)(C)C)S2)(=O)=O,IIKQXSPXOMUXDY-UHFFFAOYSA-N
+9E1FD5D3991FD6C2_C6E1E331D728B5F0_6034_UN,O=C1N(C(=CC=C1C#N)C2=CC=CS2)C(C(C)C)[S](=O)(=O)O,VWWMVRTWYQXBQA-UHFFFAOYSA-N
+9E3F6EE0F0EBF4DF_5A8207425528D588_6035_UN,CCCC(OC2=CC=C1CCCCC1=C2CN(C)C)CCl,WCWXECZRFXRTBB-UHFFFAOYSA-N
+9FA8E78FAD08A6AE_7F93955C788710A2_6041_UN,FC2=CC(=C1CCCC1=C2)N[CH]4C[C]3(C[C](C)(C3)C)C4,UNYGRPIRONCJRB-UHFFFAOYSA-N
+9FD6EE9CD510B9C8_7738B6EDE3FD8183_6039_UN,CC(OCC1=CC(=CC2=C1OCOC2)F)[C@@H]3CCCN3C,QVILNBAKJYNPLL-MHTVFEQDSA-N
+A1970D7BA288C273_C78F86B1DA3A98D5_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(CC(CO)C#N)C=CC=C2)(=O)=O,GUNQMQVZKJETSY-UHFFFAOYSA-N
+A2BD549350162FA2_C1C7F31344CAC76A_6029_UN,CCOC1=N[N](C=C1[N](=O)=O)[S](C2=C(C)C=CC(=C2)CBr)(=O)=O,DKSFNDIRKKIHTQ-UHFFFAOYSA-N
+A3E543BB5B391B2D_0D476AB689418F35_6035_UN,CC3(C)CCC(OC2=CC(=C1OCCC1=C2)Br)(CC3)C#C,VDMWCBQWLQHBFA-UHFFFAOYSA-N
+A5EF86BB79908A76_553EF0D1D5C570AB_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC=NC3=C2N=CC(=C3)F)(=O)=O,CCJACDHCTRSZIM-UHFFFAOYSA-N
+A7FAB5980801E706_4E9BA239BE158A33_6031_DP,NCC(C1CCOCC1)C(=O)OC[C@@]23[C@@](C2)(CNC3)C(F)(F)F,VKKQWQGHXMAYEP-HIDCPEKUSA-N
+A7FAB5980801E706_CE4A7FA7A6DCC901_6031_UN,NCC(C1CCOCC1)C(=O)OC[C@@]23[C@@](C2)(CNC3)C(F)(F)F,VKKQWQGHXMAYEP-HIDCPEKUSA-N
+A8EE003FFC25A9C1_545B35E26593846A_6029_UN,CCOC1=N[N](C=C1[N](=O)=O)[S](C2=C(C)C=CC(=C2)I)(=O)=O,URWQHFXCGYTJGB-UHFFFAOYSA-N
+A9BFBCF0DFAAC148_76734C2AC60FDE85_6041_UN,CC1=C(C(=CC=C1)CC#N)NC2=C(C(=C(C)C=C2[N](=O)=O)C)[N](=O)=O,WRBKCODVBHJRIS-UHFFFAOYSA-N
+AC1ED60D20681DE1_3AFE394090A645E9_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC(=C(C(=C2)F)F)O)(=O)=O,UDPZSVSXLPPHDM-UHFFFAOYSA-N
+AC407A4CB2BB8A11_48D956752251A0AF_7019_DP,COC2(CC(C=CC(N)CC1OCCO1)C2)C(F)(F)F,MPTQSAXDXUJMDK-UHFFFAOYSA-N
+AEB9FF4959347E3F_927F90B9951BD79F_6041_UN,FC1=C(C=CC2=C1CCC2)N[CH]4C[C]3(C[C](C)(C3)C)C4,ZOCBHKWIVOAARU-UHFFFAOYSA-N
+AEC1A2530E0569B7_BF70E45F76C3B337_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C3=C([N]2C=C(CO)N=N2)C=CC=C3)(=O)=O,SZOKOFAABYGZHV-UHFFFAOYSA-N
+AF608F70488704DA_F1C39DAEEB04859D_6035_UN,O(CC1CC(=NO1)C2CC2)C3=C(C=C(CN(C)C)C=C3)Cl,JYVSMYLPJRJWSX-UHFFFAOYSA-N
+AF88E969BCA49A65_829F659147FBFEC0_6035_UN,CC(OC2=CC(=C1OCCC1=C2)Br)CC3CCCCN3C,NIXRSZAMUWUYAJ-UHFFFAOYSA-N
+B06FBF30F75A2A19_29BF2C4035DECA01_6038_UN,O(CC[S](F)(F)(F)(F)F)C(=O)[C@]12COC[C@H]1C[S](=O)(=O)C2,FSSRZWFIBIEVCX-CBAPKCEASA-N
+B0DA89BB267EEA2C_39574565352B0E5A_6029_UN,CCOC1=N[N](C=C1[N](=O)=O)[S](C2=C(C=CC3=CC=NC(=C23)C)F)(=O)=O,KFVUASJRORWRAM-UHFFFAOYSA-N
+B1910186254E7269_B228D6FAF20CC860_6034_UN,CN4CCC1=C(C3=C(N1CC2(C)CCCOC2)C=CC(=C3)Cl)C4,BKRPDXJKOGVEKG-UHFFFAOYSA-N
+B3216CD8171DF5F2_CB1CEB1C788D973B_7009_DP,NC1=CC=C(C=C1)[S](=O)(=O)NC(C2=C(C)C(=CC=C2[N](=O)=O)F)=O,IXHKSAQPRHZKTB-UHFFFAOYSA-N
+B3F5D8E00AE51B46_AA988034032D0C9C_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(C)C=CN=C2Cl)(=O)=O,MIBULXHQIGWNFJ-UHFFFAOYSA-N
+B42CAEDE9C127079_097C0E2E106D9A90_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC=C(C=C2)C(C#N)C#N)(=O)=O,NBQPRIJWNLBJKB-UHFFFAOYSA-N
+B4C61431B081F0E4_4C7D20D3EE6A3C1A_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(C=C(O)C=C2)C(F)F)(=O)=O,LJYURPRZQBROLA-UHFFFAOYSA-N
+B508DA2ADCC76CA9_9CD55DC5946A05EB_6041_UN,CN1CCC[C@H]1C2=CN=C(C=C2)NC3(C)CC=CCC3,BWYCVKLEZTYRDL-MYJWUSKBSA-N
+B65CE4405E0A2553_56D1D7BEA8422204_6026_UN,CC1=C(C(=C(C=C1)[S](=O)(=O)NC2=CC=NC(=C2Cl)C)C)[N](=O)=O,ZBPHADXZXDVBRR-UHFFFAOYSA-N
+BA68883A991DEC9E_7132CBA3F40D2D7C_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC(=C(CBr)C=C2)C#N)(=O)=O,AEOBZEGUWWQSBF-UHFFFAOYSA-N
+BB15CEE5CDD4ADD0_0717B0561DD2E30D_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=NC=C(OCCC)C=C2)(=O)=O,RGJHMKJNDUKKOX-UHFFFAOYSA-N
+BB28ABA4FB772E2F_0165DC7B326CA606_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC(=C(C(OC)=O)C=C2Cl)F)(=O)=O,DZUAYKDEECUSLS-UHFFFAOYSA-N
+BB6095F7E79582AA_FC3CF37CC75990EF_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(C=CC(=C2)C(OC)=O)C)(=O)=O,QWWFHBMJHMVGDJ-UHFFFAOYSA-N
+BDCBF3A86D6572D5_2068594E636E5AAE_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC(=C(C=C2)C#N)C)(=O)=O,RLZQRXGAWCGEFO-UHFFFAOYSA-N
+BE0837E748D4FB73_5624E361ABC03091_6035_UN,CC(C)(C)C1CCCCC1OC3=CC(=C2OCCC2=C3)Br,CSFSLFZBHWZEOB-UHFFFAOYSA-N
+BE7D6E92F6A8941C_A680C499CC4A2B33_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC(=C([C@@H](C)O)C=C2)F)(=O)=O,TWVXHPJIVZGLFT-CYBMUJFWSA-N
+BF1171C9E83E08F0_98BA9FA3CA8B3429_6039_DP,NC[C@H](OCC2OCC1(CCNC1)C2)C3=CC=C(C=C3)F,NHYNFCSTHZKEMH-PCKAHOCUSA-N
+BF1D89B38AE97829_F6A07854FBA706B4_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(C)C=C(C=C2C)C#N)(=O)=O,KNGYUFXRTMCIFB-UHFFFAOYSA-N
+C0DFEDC12653B06A_D6E7895BDC2D4511_6026_UN,CC(C)C1=NC(=C[N]1C)[S](=O)(=O)NCC2=CSC(=C2)Cl,UXGRPOCIRWIXPJ-UHFFFAOYSA-N
+C1170C680DEB5B27_A8C72612CB4A2828_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CN=C(C(CBr)=O)C=N2)(=O)=O,UIMKACBESBBAFT-UHFFFAOYSA-N
+C1B408450E798BFF_C110BB0DA09DBC53_6035_UN,CC3(C)CCC(OC2=CC(=C1OCOC1=C2)Cl)(CC3)C#C,AVIBAFDGVCOFFA-UHFFFAOYSA-N
+C202601EA8E957E2_F748351B93720BC5_6035_UN,CC1(CC1)C2(C)CC2COC4=C(C=C3OCCOC3=C4)Br,FTFUBUWJNQSPTR-UHFFFAOYSA-N
+C2168FA3AB77D73A_2293E2FECE646FF1_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC(=NC=C2)N3CCOCC3)(=O)=O,PYOZQIZNVAJJPJ-UHFFFAOYSA-N
+C2ABA5BB018DABAD_4A0548C7220BD9B1_7009_UN,N([S](=O)(=O)C1=CC(=CC(=C1)F)C#N)C(C2=C(C)C(=CC=C2[N](=O)=O)F)=O,MYYJMUJAJOKPBO-UHFFFAOYSA-N
+C3FF27FB09B163DC_9BC2B960EF77B2A6_7022_UN,C[Si](C)(C)C1=CC(=CC=C1)N[CH]2CC[C]3(CC2)CC[CH2]CC3,STEQJWOQFXKMFI-UHFFFAOYSA-N
+C4C976570A3E698C_2FC588215D601610_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C3=CC=C(C(O)C2CC2)S3)(=O)=O,GZGOXKHMOIPBQS-UHFFFAOYSA-N
+C541AF1AF05CBC76_FBA711FA66B75CA9_6034_DP,NC(=S)C1=CC=C[N]1CC34OC2(CCNCC2)C(C3)(N)C4,LHYVNCNLHPCYAU-UHFFFAOYSA-N
+C5C5068754B39ED3_177DC4F37E040B97_6038_UN,N(C1=C2C(=CC=C1)COCC2)C(C3=CC=C(B(O)O)C=C3)=O,LGOHKBASLGLAJH-UHFFFAOYSA-N
+C804574C9824DFD3_C5116BA9443A02AC_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC=C(C=C2)C3=CON=C3)(=O)=O,FBBUFRAWGAIRRK-UHFFFAOYSA-N
+C9A03DED632B9ECA_D83967AE182F0069_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC=C(CBr)C=C2)(=O)=O,BXQIVARBCNQIOC-UHFFFAOYSA-N
+CAB2C500B3369EA5_478E0B54CB9DF8FB_6035_UN,CC3(C)CCC(OC2=C(C=C1OCCOC1=C2)Br)(CC3)C#C,BKIHSQHQBVABTM-UHFFFAOYSA-N
+CB7790A15B2967CA_79418BA68159F1C4_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NCC3=C([N]2C=CN=C2C)C=CC(=C3)F,MXIMGZLKXMJTAX-UHFFFAOYSA-N
+CBCE37480373ACCA_67FFAD7959BF37DD_6026_UN,CC1=CSC(=C1[S](=O)(=O)NC2=C(C)C=C(C=C2[N](=O)=O)Br)C,LCKFAQVFFOFJKA-UHFFFAOYSA-N
+CC2D54B74C1485C6_EDCF98D5EC652076_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C3=CC=C([C@@H]2C[C@H](O)C2)C=C3)(=O)=O,XCIULGPKCNFIPU-MAEOIBBWSA-N
+CC55ED2B2DA3764F_1B1616C0A535DA17_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(C=CC=C2C#N)C#N)(=O)=O,MTCUVSDZIQRWHR-UHFFFAOYSA-N
+CE37F983098BA055_F9EB62C0B70D1B45_6034_UN,CN4CCC1=C(C3=C(N1CC2(C)CCOCC2)C=CC(=C3)Cl)C4,ZTMSNQGNBFYNAT-UHFFFAOYSA-N
+CEC6571513A2C358_4E256B46C49755F6_6041_UN,CC1=C(C(=CC=C1[N](=O)=O)NCC2=CC(=CC=C2)OCC#C)[N](=O)=O,MHJMFPZPIWHDRA-UHFFFAOYSA-N
+CFEC4109863BDE81_DB28617724DFF45F_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C3=C2CCC(O)C2=CN=C3)(=O)=O,SMENGZMHSSQOFC-UHFFFAOYSA-N
+D12568999B37EE63_398F75C2C942B100_7022_DP,C2(=C1OC=CC1=CC(=C2)F)NC3=NC(=N[N]3C)[C@H]4CCCN4,KGQKBAPGTCBECK-LLVKDONJSA-N
+D31144070CC121D7_4DA4FDC036EC342E_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(C=C(CC(O)=O)C=C2)Cl)(=O)=O,MLZDIUBBLNZNRQ-UHFFFAOYSA-N
+D5008696B8D8339D_80B53A976F3E457C_6026_UN,CC1=CSC(=C1[S](=O)(=O)NC2=C(C)C=C(C=C2[N](=O)=O)Cl)C,ZCNACCTYHBKNEO-UHFFFAOYSA-N
+D517594F586FBDF3_AB559486DE82E961_6041_DP,C[N]1C(=NC2=C1C=C(C=C2)F)NC[C@@]34CCCN[C@H]3CCCC4,CQBDZIIIBYSEIB-FUHWJXTLSA-N
+D5B3D29CF8FE4B3C_F6852EEABEFFC237_6034_UN,NC1=NC=C(N1C[C@H]2[C@@H](CNC2)C3CCOCC3)C4=CC=C(C=C4)F,UZRXLKDIZWZBAA-RDJZCZTQSA-N
+D73DD182D5F0EB21_BC22235D6B39A11E_6041_UN,CN3CCC1=C(C=CC=C1NCC2C(C)(COCC2)C)C3,BNZFBXOFOSUBCY-UHFFFAOYSA-N
+D833CAD31EF33CB5_A8DCC804A0AD77A4_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC(=C(C(N(C)C)=O)C=C2)O)(=O)=O,RMCSXHAMSBSOTF-UHFFFAOYSA-N
+D8DAC5FB083E667D_E5D65FB511C06F4D_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(N=CC(=C2)Cl)Cl)(=O)=O,JOTPEJXFYBQCSK-UHFFFAOYSA-N
+D99E45585F1E02DB_06CF4920320F90F5_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C3=CC(=C2N=CC=CC2=C3)F)(=O)=O,QMAYETZPEBMFGL-UHFFFAOYSA-N
+DCC882348FFDDA2D_575FD5FA6EDEC40B_6035_UN,COC1(CCOCC1OC3=C(C=C2OCCOC2=C3)Br)OC,FYNMBRYZRMSJFH-UHFFFAOYSA-N
+DCEA31181671615F_80CB50F00CBE2927_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=NC=C(CBr)S2)(=O)=O,FKPKWVLUAPBZHS-UHFFFAOYSA-N
+DD4DE138FB92F83A_8870ED95E9F95B51_6039_UN,O(C(C1=CCCC1)C(F)(F)F)CC2=NSC(=N2)N(C)C,QHGDBEHGTAOQNU-UHFFFAOYSA-N
+E18EB9B702D6FCA3_C8ED2FDD3257B663_6035_UN,CN(C)CC(OC2=C(C=C1OCCOC1=C2)Br)CN3CCNCC3,XQAOXVLRFYYDDL-UHFFFAOYSA-N
+E2538C69C2E46A90_B5E34B36AA392593_6041_UN,FC2=C(C=C1OC=CC1=C2)NC(C)(C)C3CCCCC3,NUSHUTKYDJUVRN-UHFFFAOYSA-N
+E2B1F544EC0F03F0_F2F29463BF47B85B_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CC=C(CBr)S2)(=O)=O,KKGUMSZHBBCGKS-UHFFFAOYSA-N
+E344952CE436ECEB_6B99A8CA23B1C2AA_6039_UN,CN(C)CC(OCC1CC(=NO1)C2CCCCC2)CN(C)C,DEYHWVYYOYDQIR-UHFFFAOYSA-N
+E579BC2293F7FD39_05D4CD0E16C90156_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=C(C(CCC(O)=O)=O)C=CC=C2)(=O)=O,LTYXAKUBGKXWEQ-UHFFFAOYSA-N
+E582BBD99ABE8E16_7FA67E1F602F91E6_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C3=C2SC=CC2=CC=N3)(=O)=O,TYJGATACPFNGNH-UHFFFAOYSA-N
+E610B904918932F3_A6797184977E72DC_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CN=C(C(CBr)=O)C=C2)(=O)=O,BHGQGJUMTDAJOZ-UHFFFAOYSA-N
+E71979C1A92598CA_D696B1D9FAE4FA91_6031_UN,N[C@@H](C(=O)OCC1(CN)CCOC1)C23CC(C2)(C(F)(F)F)C3,FTQUPYCSKBCGFR-KODGCSJUSA-N
+E74638618D16B8B1_5F904251E1C5A1D3_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C3=NN=C(CC2=CC=CC=C2)O3)(=O)=O,XDALIVURFMTCKK-UHFFFAOYSA-N
+E7D0ED9A99ED7395_C0D5C8A4BAA6C474_6035_UN,O([C@@H]1CCN(C1)C2=CC=C(C=C2)[N](=O)=O)C4=C3NC(NC3=CC=C4)=O,ZYUBHXANAYUIRJ-CYBMUJFWSA-N
+EAB9698079FF845A_4E739F845957F2CB_6035_UN,CN(C)CC(OC2=CC(=C1OCOC1=C2)Cl)CN3CCNCC3,AZXPAOBESCBHLO-UHFFFAOYSA-N
+EC5E0CA3A1EC846F_CE566B35DF66D16A_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CSC(=C2)CCl)(=O)=O,OQTQYCUHUAVWTD-UHFFFAOYSA-N
+ECAF325F18A25E26_ACAB0EB8C57682AE_7022_UN,C2(=C1CCCCC1=CC=C2)NCC3(CCC(C)(C)CC3)C,SYMQWDMXKDNIIT-UHFFFAOYSA-N
+EE378FB6139D4674_35541AEFAB1E8D17_6041_UN,CC1=C(C(=CC=C1)NC2=C(C)C=CC(=C2C)[N](=O)=O)B(O)O,UROYOSAUHVCRPE-UHFFFAOYSA-N
+EE984F108180B0A8_8A3CED4B33F44E06_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C3=CC2=C(C=C[N]2CC(O)=O)C=C3)(=O)=O,MTFGCPJEWBBMFY-UHFFFAOYSA-N
+EFCA7ADDF61529A8_E546FF97F0A6CF83_7005_UN,CC1=CC=C2C(=C1[N](=O)=O)[NH]C(=N2)C3=C(C)OC(=C3[S](=O)(=O)N)C,LWYJMBCKIIYHIT-UHFFFAOYSA-N
+F1238F8A422A6727_6843DF5730C5B8CA_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C2=CN=CC(=C2Cl)C)(=O)=O,JFMDRKOXQVYLJU-UHFFFAOYSA-N
+F21265B53A9CE751_C74C4D181596F296_6034_UN,CC1=C(SC(N1C[C@H]2NC[C@H](C2)F)=N)C3=NNC(=S)N3C,UPGPHXRWBPRKTF-YUMQZZPRSA-N
+F224314955CF3C29_D5DE8E91E513C55E_7019_UN,CC(C)(C=CC2=CC1=C(C=CC(=C1)Cl)OC2)CC3CO3,XYIUCUWNUPUPSD-UHFFFAOYSA-N
+F41A73564B5C4821_18619B5291E695FA_6029_UN,N#CCCN(C1=CC=CC=C1)[S](C3=CC2=NC(=C[N]2C=C3)C(O)=O)(=O)=O,PENONGXJFSANLY-UHFFFAOYSA-N
+F4C5FB907989EB97_65E88BCED0DDAC19_6034_UN,CN4CCC1=C(C3=C(N1CC2(C)CCOC2)C=CC(=C3)Cl)C4,FDAOFFXRBXXGJE-UHFFFAOYSA-N
+F50E6F0D449EED25_55DFE10AB9FEB2A2_6035_UN,CCC(OC2=C1C=C(C=CC1=NC=C2[N](=O)=O)I)[S](=O)(=O)O,PFNAGZONGZFKLI-UHFFFAOYSA-N
+F6341BABCABABF6F_FF53292C9E4DBB1B_6041_UN,C[N]1C(=NC2=C1C=C(C=C2)F)NC3(CC3)C4CCCCC4,BCVRTEXDQXMRKU-UHFFFAOYSA-N
+F6522642B4CBBE71_2CD611E4BB5FE4C4_7022_UN,C1(=C(C2=C(C=C1)OCO2)F)OC3(CCC(C)(C)CC3)C#C,GAYPWDKNFYCAPC-UHFFFAOYSA-N
+F6F615784ED65FE5_964C129EE0A3A05B_6026_UN,C[N]1C=CN=C1[S](=O)(=O)NC2=C(C)C=C(C(=C2)[N](=O)=O)Cl,XYRGZZMDUAPPIH-UHFFFAOYSA-N
+F8897197D2181CFA_B291F4114A71AC03_6009_UN,COC1OC(OC)C(=C1)C2CC(CO)(OCC2)C(F)(F)F,PMQSIKUGEOCOHB-UHFFFAOYSA-N
+F8B7D66CFA70988A_364B663F26C633F3_6041_UN,CN4CCC1=C(C=CC=C1NC2=C(C=CC3=C2OCO3)F)C4,ZPGUEUXYXCYEGH-UHFFFAOYSA-N
+F95AB7A257F31EA3_906F308B22C0520F_7019_UN,CC3(C)OCC(CC=CC2=C1OCCC1=CC(=C2)Cl)O3,PDIKXHMZTWRJEP-UHFFFAOYSA-N
+F95AB7A257F31EA3_C37D7C9A79DD6B27_7019_UN,CC3(C)OCC(CC=CC2=C1OCCC1=CC(=C2)Cl)O3,PDIKXHMZTWRJEP-UHFFFAOYSA-N
+F9FC6EDC4A4C31DF_0E65D35B0C22006E_6041_UN,C2(=C1COCCC1=CC=C2)NCCN3CC[Si](C)(C)CC3,MVCBWMJZJVSCMV-UHFFFAOYSA-N
+FA2BE74A02905A96_B0E40281AC78FBDC_6031_UN,O(C(=O)C1(CCCO1)C2CCCCO2)CC[S](F)(F)(F)(F)F,VQMJOAMLPXMPNP-UHFFFAOYSA-N
+FBD54E5B94E131E2_C2488B8CF31BA955_6031_UN,COC2(CC(=O)OCC1(CC=CCO1)C(F)(F)F)CCOCC2,LVDGBBYBWAGBNL-UHFFFAOYSA-N
+FDBC87775015FEA1_1A97A614D51A498D_6034_UN,CC1=CN(C(=C1C#N)N)CC2=C(C)C=CC(=C2C)[N](=O)=O,HTBYBHBDWICSGX-UHFFFAOYSA-N
+FFB110160BD2B601_37D1A2ED009DFEE9_7022_UN,C1(=CC2=C(C=C1)OCCC2)NCC3=C(C=CC=C3)[N](=O)=O,LVQUUXZEBCTKGK-UHFFFAOYSA-N
+FFB110160BD2B601_EA90F91332A9CA42_6041_UN,C1(=CC2=C(C=C1)OCCC2)NCC3=C(C=CC=C3)[N](=O)=O,LVQUUXZEBCTKGK-UHFFFAOYSA-N