Added 253 molecules from epoch 16735 for P31645

P31645_molecules.csv

@@ -39154,3 +39154,256 @@ rxn:2:99021:152487,COc1cc(C)c(C)cc1C(CC1=NCCO1)NC[C@@H]1CC(OC)CO1,QQUHWJCDTKGQET
 rxn:2:99530:106446,COc1ccc2c(c1)OC(C1CC1)CC2NCC(c1ccc2c(c1)OCCCO2)C1COC1,QUGBHTOLBUYEQI-UHFFFAOYSA-N
 rxn:2:99530:107164,COc1ccc2c(c1)OC1(CCCCC1)CC2NCC(c1ccc2c(c1)OCCCO2)C1COC1,CXKXIYJBELPFSV-UHFFFAOYSA-N
 rxn:2:99530:126348,COc1ccc2c(c1)OC1(CCCC1)CC2NCC(c1ccc2c(c1)OCCCO2)C1COC1,UXIZKIILSAFUMZ-UHFFFAOYSA-N
+00598E129EFA9FF7_C8C7D96281173ECC_6041_UN,O=[N](=O)C2=C1N=CC=CC1=CC(=C2)NC3C4=C(OC3)C=CC=C4F,QSXXCCGSHPHCDR-UHFFFAOYSA-N
+0129B2EACDA9BE00_63A8815CA2024750_6041_UN,C1(=CC2=C(C=C1)[NH]C3=C2CCCC3=O)NCC4=NC=C5C(=C4)OCO5,QIHIBCBHNYVNGY-UHFFFAOYSA-N
+02E3CA47A49AB452_6EF2E547AB159C05_6026_UN,FC2=C1C=CC=CC1=CC(=C2)[S](=O)(=O)NCC3=C(N(C)C)C=CC=C3,XCRNZUSKTLPDAU-UHFFFAOYSA-N
+03D720F5FEB35283_346DD72FCA778403_6041_UN,C2(=C1C(NNC1=CC=C2)=O)NC3(COC3)C5=NC4=C(C=CC=C4)S5,BZGPZRLZHWMVPM-UHFFFAOYSA-N
+05E49F7148772250_3639193EC1B7F9E7_6029_UN,N(C1C3CCC1CC2=C(C=CC=C2)C3)[S](C4=CC=CC(=C4Cl)F)(=O)=O,JEVJLBZDJLEJEO-UHFFFAOYSA-N
+067AF4B3325E02C2_7058C6354C744FF3_6029_UN,N(CC1=CC2=C(C=C1)OCC2)[S](C3=C(N=CN=C3)OC4=CC5=C(C=C4)OCO5)(=O)=O,JUGSANTVZSYFMF-UHFFFAOYSA-N
+06D82797FA555504_A04F38983898617B_7019_DP,CC(C)(CCCC=CC1CCCC12CCNCC2)C#N,ISMAZHKFPOTWBQ-UHFFFAOYSA-N
+074FE14283C3877C_F9E71AD1658D4360_6034_DP,N1CCC(=CC1)N2C(=O)N(C3=C2C=CC=C3)CC5=C(C=C4OCOC4=C5)Br,SHIWDASXGAQQDT-UHFFFAOYSA-N
+096E899DC5EC089D_E5BF9722C5E30863_6034_DP,ClC2=C1N(C(C=CC1=CC=C2Br)=O)CC45OC3(CNC3)C(C4)(N)C5,CTMQRPKELHPRQE-UHFFFAOYSA-N
+0970498475A848E7_BCA0CC2D22A84C3B_6041_UN,C1(=CC2=C(C=C1)ONC2=O)NC3(COC3)C5=NC4=C(C=CC=C4)S5,NBHKHFFLZWDPOQ-UHFFFAOYSA-N
+0AE11554145DD086_266075CE8E9BA1DB_6041_UN,C[S](=O)(=O)OCC1=C(C=CC(=C1)F)NC2=C(OC)C=C(C=C2)OC3=CC=CC=C3,HJMXSEOOQJWFSD-UHFFFAOYSA-N
+0C58010F0935265D_28AA7190607D37D7_6041_UN,COC1=NC(=C(C=C1)[N](=O)=O)NCC2=CC=C(COC)C=C2,FPSQVDWHZWIJKC-UHFFFAOYSA-N
+0C58010F0935265D_AB117BE0C22DB08C_6041_UN,COC1=NC(=C(C=C1)[N](=O)=O)NCC2=CC=C(COC)C=C2,FPSQVDWHZWIJKC-UHFFFAOYSA-N
+0D538D85AF1B9FF7_087D0EA196603CCA_6038_DP,N(C1=CC2=C(C=C1)C=CN=C2N)C(C4NC3=CC=CC(=C3C4)F)=O,FZDXNAIRCVZJTJ-UHFFFAOYSA-N
+0DCDEA1D689E54BD_C2A2C825F31DA196_6035_UN,CC1(O[C@@H](CNC1)COC2=CC=C(C=C2)C3NCCNC3)C,CKNGYGFLWNLLNL-VYRBHSGPSA-N
+0DEF0028CCD5D49C_DD0A6B5E41217556_6026_UN,CCCC1=CC=C(S1)[S](=O)(=O)NC2=CC(=C(C=C2)Br)[N](=O)=O,XWRLBYHIGMOSFR-UHFFFAOYSA-N
+0E8D19AFD7CD8B26_DD0C3BC32AEE3199_6039_UN,CC2=C1OCC[C@@H](C1=CC=C2)OCCC3CCCC(C)C3,MWYWLMXZHSEQSY-PVARCSIZSA-N
+0EBEA4D4B192F396_E9D91D6DB0BB1BFC_6038_UN,CC1=C(C=CC(=C1)[N](=O)=O)NC(C2=CC(=C(OCCCC)C=C2)OC)=O,XVROFMLGTWMXTI-UHFFFAOYSA-N
+10098D2CBFF01A41_E1183EDA906FAD35_6029_UN,CC1=CC2=C(C=C1)C=C[N]2[S](C3=CC4=C(C=C3)OCCC4)(=O)=O,BAGZGLRSAQBMBH-UHFFFAOYSA-N
+1038634F69EAC27B_62225FE0660F52E6_6041_UN,CC1=C(C=C([N](=C1)=O)NC2=C(C=C(OCCCC)C=C2)C)[N](=O)=O,ZUZRZNQMSVOSQL-UHFFFAOYSA-N
+105C7E4EE746769F_362275B80753FF0A_7005_UN,N4=C(C1=CC2=C(C=C1)NC(=O)O2)[NH]C5=CC3=C(OCCCO3)C=C45,JBLFFIRRYIUZJY-UHFFFAOYSA-N
+11BEFE6C99B25F36_3C1F61228FB36A2D_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CC2)NC4=CC3=C(C=C(N(C)C)C=C3)C=C4,YGZSFZRPMITKLX-UHFFFAOYSA-N
+125F3DCFFC8DB464_A0612D9E6B6865FA_6039_UN,O(C1CCCC2=C1C=CC=C2OCC3CO3)CCC(C)(C)C4CC4,PUNXRBZNVCLKDO-UHFFFAOYSA-N
+145902FA5F601112_1BE3726DA31428FA_6041_UN,CC1=C(C=CC(=C1)NCCCCC2=CC=C(OC)C=C2)[N](=O)=O,LBFVIZBYVHKOSY-UHFFFAOYSA-N
+145902FA5F601112_48C1C9AE5C71FC66_6041_UN,CC1=C(C=CC(=C1)NCCCCC2=CC=C(OC)C=C2)[N](=O)=O,LBFVIZBYVHKOSY-UHFFFAOYSA-N
+14FFD68F4652F05A_E5310E637A768112_6034_UN,CC1=C(N=C(N1CC2(C(C)CNC2)C)C3CCCN3)C4=CC=CC=C4,OGYSEUKVOJEYNR-UHFFFAOYSA-N
+15AA39E4FC4B551D_AB3E59E2D3DE3BFF_6029_UN,N(C1C3CCC1CC2=C(C=CC=C2)C3)[S](C4=C(F)C=CC(=C4)I)(=O)=O,JOPOTERFBQGZNF-UHFFFAOYSA-N
+1687FC0FBC2978AF_BAB13AC4F26D3D58_6029_UN,N(C13CC2CC(C1)CC(C2(F)F)C3)[S](C4=CC=CC(=C4)F)(=O)=O,QEDGFEQJWYUNSO-UHFFFAOYSA-N
+170FBC1341B5D910_7CA65173C90378F2_6041_UN,FC1=CC(=CC(=C1)NC2=CC3=C(C=C2)C(=CC=C3)[S](=O)(=O)O)C4(CC4)C#N,MWLCZMSOERNIRS-UHFFFAOYSA-N
+183A7CE14E42ED18_0653D4B932799386_6041_UN,COC1=CC(=C(C=C1)[N](=O)=O)NC2=CC=C(CCSC)C=C2,HDUUJMLTKCXTOM-UHFFFAOYSA-N
+183A7CE14E42ED18_15E0F03BCA171EF7_6041_UN,COC1=CC(=C(C=C1)[N](=O)=O)NC2=CC=C(CCSC)C=C2,HDUUJMLTKCXTOM-UHFFFAOYSA-N
+183A7CE14E42ED18_C7D50C22065EC984_6041_UN,COC1=CC(=C(C=C1)[N](=O)=O)NC2=CC=C(CCSC)C=C2,HDUUJMLTKCXTOM-UHFFFAOYSA-N
+19E9E632C7020060_067AFE9E99B20092_6041_UN,FC1=CC(=C(C=C1)CCC#N)NC2=C(CC)C=CC(=C2)[N](=O)=O,WKSDHHUHOBBMRL-UHFFFAOYSA-N
+19F8D0C83E3E82FC_9EA298B41D817E41_6041_UN,CC1=C(C=CC(=C1)[N](=O)=O)NC2=CC(=C(OCCC)C=C2)OC,ZQGMGAFULYJNLC-UHFFFAOYSA-N
+19F8D0C83E3E82FC_D6122D320DC2490E_6041_UN,CC1=C(C=CC(=C1)[N](=O)=O)NC2=CC(=C(OCCC)C=C2)OC,ZQGMGAFULYJNLC-UHFFFAOYSA-N
+1BD72204217224BE_2343E112A28D91C7_6041_UN,COC1=C(C=C(C=C1)[N](=O)=O)NC2=CC=C(CCSC)C=C2,DBJVMRLQTCROCS-UHFFFAOYSA-N
+1F58C674D348F278_D95B42D5E6ABEB6A_6039_DP,N3CC(OCC1=CC2=C(C=C1)NC(=O)O2)(C3)C5=C4C=CC=CC4=CC=C5,QJBIKHFDRMHMDQ-UHFFFAOYSA-N
+20FC548934C466E6_22A795005B59EF97_6029_UN,C1N(CCC(C1)C2=C3C(=CC=C2)C=CC=C3)[S](C4=CC(=CC(=C4)OC)F)(=O)=O,VIRJNPZKAOQTHT-UHFFFAOYSA-N
+21810F4982060B26_4599E484A4E9FFEC_6034_DP,BrC1=CC=C(C=C1)N3C(=O)C2=C(C=CC=C2)N(C3=S)CC4=CC5=C(C=C4)CNCC5,HXUYTPLMFCVGKR-UHFFFAOYSA-N
+21A491AAC3AE1006_279A93FE6FECD6D7_6039_UN,O([C@H]1CCSC2=C1C=CC=C2)CC3=CC4=C(C=C3)NC(=O)O4,CSISFKFIKWKONZ-AWEZNQCLSA-N
+2475C928A7224CB2_7602F5B17B16C074_6038_DP,N(C1=CC2=C(C=C1)NNC2=O)C(C3=CC4=C(C=C3)CNCCC4)=O,JTCPHDPMSIFZGL-UHFFFAOYSA-N
+25029DADEDC2B09A_AAA9633D64032AF3_6041_UN,CC1=CC(=C(C=C1)NCCCCC2=CC=C(OC)C=C2)[N](=O)=O,OETZFHUICIOYHY-UHFFFAOYSA-N
+26ADAB9635FDCCB0_F8D60536D8177554_7022_DP,C1(=CC=C(C=C1)OC2CCOC2)NCC3(CNC3)COCC[Si](C)(C)C,LOQJISWARHLVEO-UHFFFAOYSA-N
+29823D5441A0206D_F406E5B06243A1B4_6034_UN,CC1=C(C3=C(N1CCN2CCNCC2C)C=CC=C3)C4=CCNCC4,KUYRDKGRMCORKY-UHFFFAOYSA-N
+2A051D29E67DE575_A8F46CCDAD7CE434_6004_UN,C1(=CC2=C(C=C1)NC(=O)NC2=O)C3=CC4=C(C=C3)OCC4,OZHQCWKAVBNGER-UHFFFAOYSA-N
+2B6FABD3B1A7561C_1FE28E25F0F6BED4_6038_DP,N(C1=C[NH]C2=C1C(=CC=C2)F)C(CC4=CC3CCC(N3)C4)=O,CRASSTUKGUOLSW-UHFFFAOYSA-N
+2C5C1E066AECF734_45B4D394647DEA85_6034_UN,CC1=C(N=C(N1CC2CC(=NO2)C3CC3)C4CCCN4)C5=CC=CC=C5,PMBLSWJNUBEGFH-UHFFFAOYSA-N
+2CA70C26AD5D27D9_0389DC646BDDDC97_6041_UN,CN(C)CC1=C(C=CC(=C1)NC2=CC4=C(C=C2)OC3(CCCC3)O4)F,FBOQFZQCJGTEGA-UHFFFAOYSA-N
+2CA70C26AD5D27D9_8E439C10AFC72D28_7022_UN,CN(C)CC1=C(C=CC(=C1)NC2=CC4=C(C=C2)OC3(CCCC3)O4)F,FBOQFZQCJGTEGA-UHFFFAOYSA-N
+2CD7731F1AEF790A_7F6CD5952425D3E6_6041_UN,FC2=C1C=CC=C(C1=CC=C2)NC3=C(OCC)C=CC(=C3)[N](=O)=O,VINKTUJQSWWRGQ-UHFFFAOYSA-N
+30645A94E68ED72E_2D4DE55C0C28C26C_6028_UN,N(C1C3CCC1CC2=C(C=CC=C2)C3)[S](C4=C(C)C=CC(=C4)Br)(=O)=O,YZTVNTIKNWCPHT-UHFFFAOYSA-N
+30FE666861E221EE_411124F003A304D6_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C=C(Br)C=C2)NC4CC3=C(C=C(OC)C=C3)CCC4,UOTMZXQPPMUBGB-UHFFFAOYSA-N
+32C618FDA86FA48B_387A996587153DC5_6034_DP,N1CCC(=CC1)N2C(=O)N(C3=C2C=CC=C3)CC5=C(C=C4OCOC4=C5)Cl,GAGVSXXIMZASNA-UHFFFAOYSA-N
+32F8DEA190BC35B7_8F25269C77747AFD_6029_UN,COCC1=CC2=C(C=C1)CN(CC2)[S](C3=CC4=C(C=C3)[NH]C=C4)(=O)=O,QUTOCEIILUFKPV-UHFFFAOYSA-N
+3702F186A8BA0CAC_AB342C64685813D8_6034_UN,CC1=C(C4=C(N1CC23CCCN2CCC3)C=CC=C4)C5=CCNCC5,MSADRJPVZOVNEZ-UHFFFAOYSA-N
+37C5AAC5D77D34FC_AB43C41C566AA437_6038_DP,N(CC1=CC2=C(C=C1)C(=N[NH]2)N)C(C3(CCNC3)F)=O,ZYHVRGPMCIXXLR-UHFFFAOYSA-N
+39B34CF01332053D_5F5A7D0E49F8C5CF_6029_UN,COC1=CC2=C(C=C1)CN(CCC2)[S](C3=CC4=C(C=C3)C=NC=C4)(=O)=O,YDLJTWUGPVKUCC-UHFFFAOYSA-N
+3A421CC3992FE98B_A52F130845C7A917_6041_UN,COC1=C(C(=CC=C1)[N](=O)=O)NC2=CC=C(CCSC)C=C2,VSRSNHQGSOKKNZ-UHFFFAOYSA-N
+3AE3F665F426454B_4B734FF61B759EDD_6039_DP,N3CCC(OCCN1C(C)(COCC1)C)(CC2CO2)CC3,QQXNKZPSQAVZCN-UHFFFAOYSA-N
+3C363ACF7E70F0AC_D24C01B2724C40BC_6041_UN,COC1=C[N](=C(C(=C1)NC2=C(CC)C=CC(=C2)[N](=O)=O)C)=O,PRVCNFYQRBQPTD-UHFFFAOYSA-N
+3D1FD935A887AF4B_E0E439019B673123_6041_UN,CC1=C(C=C(C=C1)NCCCCC2=CC=C(OC)C=C2)[N](=O)=O,BVYJDEXBSSTMES-UHFFFAOYSA-N
+3DC8454A9620EFFA_386F43CBD9A24708_6029_UN,N(C1=C2C(=CC=C1)C=C(C=C2)F)[S](C3=CC=CC4=C3CCN(C)C4)(=O)=O,WRLYKINQEITOSN-UHFFFAOYSA-N
+3DFB3D117B0AAAB6_1B4FA9122A173842_6041_UN,COC1=C(C=C(C=C1F)NC3=C2C4CCC(C2=CC=C3)O4)[N](=O)=O,RAYXPDGTTYCHAJ-UHFFFAOYSA-N
+401B21E6AC4187A2_3C2EC4A6A17D684A_6029_UN,N(CC1=C2C(=CC=C1O)C=CC=C2)[S](C3=C(N(C)C)C=CC(=C3)C#N)(=O)=O,SUTLYTOJMPFMJO-UHFFFAOYSA-N
+412581B16245BD49_DABC5FBD070620BE_6041_DP,FC1=CC(=C(C=C1)CC#N)NC(C2CNC2)C3=CC=C(C=C3)F,OXAXLVKCIZKLAF-UHFFFAOYSA-N
+428598949AB8FAC5_2C67131863343932_6035_UN,O(CC1(F)CNCC12COC2)C3=CC=C(C=C3)C4=CCNCC4,UJMMYNNDAHUZLS-UHFFFAOYSA-N
+4390F7D3A703DDA4_09AEE86052A39EA5_6035_UN,CC1(O[C@H](CNC1)COC2=CC=C(C=C2)C3=CCNCC3)C,PHGBEMMVLSYVNV-QGZVFWFLSA-N
+4619A770272D32FE_D4FEBD0882E57E2D_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C3=C(O2)C=CC=C3)N4CCCC4C5=CC=C(OC)C=C5,UOQXOBDQWYAOJD-UHFFFAOYSA-N
+467686301D998074_CFFEBDD01290AF76_6034_DP,CC1=C(C3=C([N]1CCC2OCCNC2)C=CC=C3)C4=CCNCC4,ZIIDTSYDGYSGFM-UHFFFAOYSA-N
+4824546D0F78F34B_388C43E24249F61A_6038_UN,N(CC1=COC2=C1C=C(C=C2)F)C(C3(CN(C)C)CC3)=O,ICLOWFFCSYOKBE-UHFFFAOYSA-N
+488F835D27E5EFBA_012415CC97183B86_6026_UN,[S](=O)(=O)(C2=C1C=CC=CC1=CC=C2)N4CC(C3=CC(=C(C=C3)F)OC)OCC4,JQSZFTXDLMVLDX-UHFFFAOYSA-N
+49649E6BF7A48463_F214AB38C4A2BA45_6035_UN,CNC1=CC(=CC=C1)COC2=C(C=C(CCN)C=C2)[N](=O)=O,ZVKIKSXRRSKBNK-UHFFFAOYSA-N
+4A7ABF0A8174EC3A_F97D73F280E270EA_6029_DP,N1[C@@H]3CC[C@H]1[C@@H](N[S](C2=C(C=C(F)C=C2F)Cl)(=O)=O)C3,GODIVZJJVULYPF-GGVZMXCHSA-N
+4B1740CDEF03F769_C1857203CC117236_6035_UN,O(CC1(F)CNCC12COC2)C3=CC=C(C=C3)C4CNCCC4,MXCAIVJGIIDGDN-UHFFFAOYSA-N
+4B6C704856D5FF2B_2F94FB23DCC80AE7_6041_UN,C1(=CC3=C(C=C1)OC2CCON2C3=O)NC4=CC5=C(C=C4)N=CS5,SZABQVHICAAMNJ-UHFFFAOYSA-N
+4D68CFB6698C04AF_39254A494F47A67C_6038_DP,N(C1=CC2=C(C=C1)C=CN=C2N)C(C3(CCNCC3)F)=O,IWAFBYOLLVTFNM-UHFFFAOYSA-N
+4D9D3CDB37A6CDE8_BE615128A14BDBD7_7022_UN,C1(=CC(=C(C=C1)Cl)[N](=O)=O)NCCCCC2=CC=C(OC)C=C2,NNLLSVVCTXXZPK-UHFFFAOYSA-N
+4DBF48E1ACE57851_C66B068A509723D0_7017_UN,NC1=CC2=C(C=C1)C(=CC=C2)[S](=O)(=O)N4C(C3=CC=C(C#N)C=C3)CNCC4,FHGGXLPYLDZDPX-UHFFFAOYSA-N
+4E44F00804F6B5D9_CB90B2EC68B76EBA_6039_UN,CC1OC(CN(C1)CCOCC2CC3(CO2)CCOCC3)C,LNXBMVLWQSZEBE-UHFFFAOYSA-N
+4F8A5EAD33792CAF_DCA585F3CD5D1B23_6038_DP,N(CC2=CC1=C(C=CC(=C1)F)S2)C(CC4=CC3CCC(N3)C4)=O,HUNZYTICKLTLGQ-UHFFFAOYSA-N
+5011E775FA37EA0F_F54DB29D27D7B6EE_6041_UN,C2(=C1NC(NC1=CC=C2)=O)NC3(COC3)C5=NC4=C(C=CC=C4)S5,JRFRQROLMOGKIA-UHFFFAOYSA-N
+52D65BB5ECB322E8_0FF6519A8BA37D46_6041_UN,CC1=C(C=C([N](=C1)=O)NCC2=CC(=NC=C2)OC3=CC=C(OC)C=C3)[N](=O)=O,SRBPYSOUFRYAQQ-UHFFFAOYSA-N
+5323D1F7046C6577_DF8CD391D9402D19_6041_UN,COC1=C(C(=CC=C1)[N](=O)=O)NCC2=CC=C(CSC)C=C2,UPGNVBXWXRQYQM-UHFFFAOYSA-N
+554966409628CEC1_CCFC7754E121651B_6041_UN,CC1=CC(=C(C=C1)N=C=O)NC2=C(C=C(OCC)C=C2)[N](=O)=O,ZFWXIUJJFMCONL-UHFFFAOYSA-N
+57A3666555D8559E_485B8CEFF2E7C5E6_6039_UN,CC3C(OCCC2COC1(CCCC1)O2)CC4=C3C=CC=C4,JXRSUUFEUJMRQM-UHFFFAOYSA-N
+58C3779DEBBCB15B_FAF878104FEFADBF_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N3C4(CC(N(C)C)CC3)CC4,PAIGYALTLPOGNP-UHFFFAOYSA-N
+59CE8D0DA5EA32DA_188B32EB4288CEF5_6041_DP,FC1=C(C=CC(=C1)CC#N)NC(C2CNC2)C3=CC=C(C=C3)F,FQSUYURCIJVLPT-UHFFFAOYSA-N
+5A3FE428A26FCD18_8E268DD10158414A_6034_DP,CC1=C(N=C([N]1CC2(CCNC2)C)C3CCCN3)C4=CC=CC=C4,OFOSPERQVCFLLC-UHFFFAOYSA-N
+5A6C54A851049CD9_8771770A586B1206_6041_UN,FC1=C(C=CC(=C1)CN=C=O)NCC2=C(C)C=CC(=C2)[N](=O)=O,KBXRLXFAVPPNAS-UHFFFAOYSA-N
+5B05C50117D2549C_523C5F455A61539B_6041_UN,C2(=C1C=C[NH]C1=CC=C2)NCCN3C(C(SC3=O)=CC4=CC5=C(C=C4)OCO5)=O,BFQOFEGJJAIUQM-UHFFFAOYSA-N
+5B05C50117D2549C_986A8714D4A9F157_6041_UN,C2(=C1C=C[NH]C1=CC=C2)NCCN3C(C(SC3=O)=CC4=CC5=C(C=C4)OCO5)=O,BFQOFEGJJAIUQM-UHFFFAOYSA-N
+5B4ECFEA3075AF4E_EA1491799A76E73D_6035_UN,O(C1(CNC1)C2=CC=CC=C2)C4=C(C=C3C=CC=CC3=C4)Br,UKFAKXYLCOJXHF-UHFFFAOYSA-N
+5C5862545394A52C_EC6F3428AC829E91_6029_UN,C2N(C(C1=CC=CC=C1)C23CCOCC3)[S](C4=CC(=CC(=C4)C#N)F)(=O)=O,ZRHQBLYGYCIFSD-UHFFFAOYSA-N
+5DC34959CB6F5CD0_ADD47E11456749DE_6034_UN,CC1=C(C=CC=C1)C2=CSC(=O)N2CC3(F)CNCC34COC4,MXIYHKXOOARYQQ-UHFFFAOYSA-N
+5EB4C97388F00D87_E0CF6839B494E4F6_6039_UN,CC3CCC(OCC2COC1(CCOCC1)O2)C(C3)OCC4=CC=CC=C4,LYRXMMNEWQKOFT-UHFFFAOYSA-N
+5FBEB4C0A7E9210E_D19700B382D23074_6029_UN,N(C1C2CC3CC1CC(C2)(F)C3)[S](C4=C(C=CC(=C4)C)F)(=O)=O,MUYDKRTYTIKRRL-UHFFFAOYSA-N
+605627CD8CB1F3B2_BC5194ED45B25477_6041_UN,O=[N](=O)C2=C1C=CN=CC1=C(C=C2)NC3=C(C=CC4=C3OCO4)F,GIONVDIELQSFSV-UHFFFAOYSA-N
+61DE8C752862BB7B_5D73399A1D2AFAD7_6028_UN,COC1=CC2=C(C=C1)CN(CC23CC3)[S](C4=CC5=C(C=C4)C=CC=C5)(=O)=O,REAKTSKERADAQG-UHFFFAOYSA-N
+62C6EFD37A51D6A8_786D8BAA6BFDE542_6041_UN,CC1=CC(=C(C=C1)NC3=CC=C(OC2=CC=C(CCOC)C=C2)C=C3)[N](=O)=O,KTVUUARYAMFICZ-UHFFFAOYSA-N
+63A137A7F5ED60D9_E672312A40184D1A_6038_DP,N4CC1=C(C=C(C=C1)OC(C2=CC=CC3=C2OCCN3C)=O)C4,ODBWPDCDAPKBRR-UHFFFAOYSA-N
+6407127EF4DA9BD8_C13693E54979D266_6029_UN,C1C2CC(C1)C4=C(N(C2)[S](C3=CC=CC(=C3F)CCl)(=O)=O)C=CC=C4,GQSZFDDFWFIBLR-UHFFFAOYSA-N
+652158648AF590E0_E3A24F31A11F8F6B_6039_UN,O(CC1(CCOCC1)C2CC2)CC3OCCC34CCC4,AQEVEZSSKBBPRI-UHFFFAOYSA-N
+65D964EF45F6E90E_883B11F7CBE97EC1_6039_DP,CC(OCC2CCC1(CNC1)O2)(CC3=CC=CC=C3)C#C,VUEFCPDXUYMTLL-UHFFFAOYSA-N
+65F48EE36CA80865_16746410FBA7E002_6039_DP,CC(OCC2OCC1(CNC1)C2)(CC3=CC=CC=C3)C#C,QJXYJZVOMODMAE-UHFFFAOYSA-N
+6721C4636419780B_9AC0ACDD28833616_6039_UN,O(CC1(CC=C)CCCCC1)CC2CC3(CO2)CCOCC3,LARWDOAJADODME-UHFFFAOYSA-N
+6721C4636419780B_C2E42A73123C346B_6039_UN,O(CC1(CC=C)CCCCC1)CC2CC3(CO2)CCOCC3,LARWDOAJADODME-UHFFFAOYSA-N
+676AEC2EF4B106DF_3C1925F30B5D535B_6029_DP,N2CC3(N[S](C1=C(C(O)=O)C=CC(=C1)F)(=O)=O)CC2C3,PERRWLRTWBQYLX-UHFFFAOYSA-N
+68F277B4C855F317_DAAB6C7C6DF89CF0_6029_UN,N(C1=CC=C(C=C1)C24CC3CC(CC(C2)C3)C4)[S](C5=CC=CC(=C5Cl)I)(=O)=O,MYNNQEXKWJFOCN-UHFFFAOYSA-N
+697403EB2B26B44A_626F685D02E4AFA0_6041_UN,CC1=C(C=C(C=C1)[N](=O)=O)NCCOCC2=CC=CC(=C2)OC,JQEHQFQAHWWJSW-UHFFFAOYSA-N
+698E0A04533E3C65_FEC76E147003CF7E_6041_UN,COC1=CC(=C(C=C1)[N](=O)=O)NC2=C(C=C(OCCOC)C=C2)C,OHPZEZWYEUULFF-UHFFFAOYSA-N
+69918AEFA94E02E2_792F12AA045217B3_6034_DP,FC1=CC2=C(C=C1)C(=O)N(C=C2)CC45OC3(CNC3)C(C4)(N)C5,QMBMENBZJKCNBO-UHFFFAOYSA-N
+6B7B45666ED02DCC_82E197D371D483B2_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)NCC3=CC(=C(N(C)C)C=C3)F,VDOBZPAEIMSKOK-UHFFFAOYSA-N
+6C62D056A5A10617_4E68CEAF4C0F3E29_6038_DP,N4CCC1=C(C=C(C=C1)OC(C2=CC=CC3=C2OCCN3C)=O)C4,HAULQXZHRRKKJZ-UHFFFAOYSA-N
+6CAFCDB255E8BEB3_FB9923F6223B7E4E_6041_UN,CC1=C(C=CC(=C1)CN=C=O)NC2=C(C=C(OC)C=C2)[N](=O)=O,PLEMNZWVZWEBOR-UHFFFAOYSA-N
+6EB06B4C60D568E4_C8C5F7BA18148D44_6039_DP,O(C1CCOCC1OCC2=CC=CC=C2)CC3NC(OC3)(C)C,ZAEFKBZASXEDJK-UHFFFAOYSA-N
+6F420282C4AFE16D_6952688B0FD351E0_6034_UN,CC1=C(C3=C(N1CC[C@H]2CNCC2)C=CC=C3)C4=CCNCC4,PXHPJTAMKKFIHX-INIZCTEOSA-N
+6FC0DF07E7EEEDF4_C9F34C8C913606A8_6029_UN,C1C3CC(N1[S](C2=C(C=C(CO)C=C2F)F)(=O)=O)C4=C3C=CC=C4,GRBNBOOHOZWPKA-UHFFFAOYSA-N
+70363E7A09B0B173_DA8257F753E6433D_6041_UN,COC1=CC(=C(C=C1)[N](=O)=O)NCC2=CC(=C(OCC)C=C2)C,BMFPSVKVXIGREF-UHFFFAOYSA-N
+721EDBE96E6EE7A1_B9A71919DB6A1AD7_6041_UN,NC(=O)NC1=CC(=C(C=C1)NC2=CC=C(C=C2)C3SCCS3)F,NPGMCIZUEBLHFC-UHFFFAOYSA-N
+76C811A6E386549F_6A3B1E040274F4DE_6035_DP,N3CCC(N)C(COC1=CC=C(C=C1)C2NCCNC2)C3,PJFMEUIOWLKEFO-UHFFFAOYSA-N
+7809DF6CFBE6A06F_D364C6B9C1E76E31_6029_UN,N(C13CC2CC(C1)CC(C2(F)F)C3)[S](C4=CC=CC(=C4Cl)Cl)(=O)=O,PVVMRPQAZFTHHM-UHFFFAOYSA-N
+7923BF047EC7C92B_640511B3FE90A9DA_6029_DP,N1C3CCC(N1[S](C2=C(OC)C=C(C(=C2)Cl)Cl)(=O)=O)C3,ZYZMHTBJTMAZLG-UHFFFAOYSA-N
+79F8A4B1EC3C9438_3B8944AC458019D5_6034_DP,ClC1=CC2=C(C=C1)C(=O)N(C=C2)CC45OC3(CNC3)C(C4)(N)C5,UJUTYVPOJKODAL-UHFFFAOYSA-N
+7A0A1A92D9548B55_3174DB26CD3F275E_6029_UN,C1C2CC(C1)C4=C(N(C2)[S](C3=C(F)C=CC(=C3)CBr)(=O)=O)C=CC=C4,TVGXATPRYUXMQA-UHFFFAOYSA-N
+7B35ED6FD213B066_F11D4A948C3C9D4D_6039_UN,O(C2CCOC1(CCOCC1)C2)CCC3=CCCCC3,PWFUFNIKGBEALM-UHFFFAOYSA-N
+7D275EB03A150204_B884316B6F35E600_6029_UN,N(C1C2CC3CC1CC(C2)(F)C3)[S](C4=CC=CC(=C4)C(=NO)Cl)(=O)=O,ZMZGVZRBRGDFCY-UHFFFAOYSA-N
+7F55195902A3ADED_3AFD9794A4B9A132_6041_UN,COC1=CC(=C(C=C1)[N](=O)=O)NCC2=CC=C(COC)C=C2,UHSBHMUESFBJQT-UHFFFAOYSA-N
+7FEAC91075310B1B_6B53C62A5B4B0E1D_6041_UN,COC1=NC(=C(C=C1)[N](=O)=O)NCC2=CC(=C(OCCC)C=C2)OC,GNKNJBPPDIHOOO-UHFFFAOYSA-N
+7FEAC91075310B1B_E8E8CC5AF91B8946_6041_UN,COC1=NC(=C(C=C1)[N](=O)=O)NCC2=CC(=C(OCCC)C=C2)OC,GNKNJBPPDIHOOO-UHFFFAOYSA-N
+814A2D68CE6ED578_4C9A7FDA78D06789_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)NCC3=C(N(C)C)C=C(C=C3)C,FNTHKXXYVLQMIO-UHFFFAOYSA-N
+81A726598087DB35_A259679086622871_6034_UN,CC1=C(C3=C(N1CCC2NCCCCC2)C=CC=C3)C4=CCNCC4,POZYEQSYAMBCTC-UHFFFAOYSA-N
+83BBFF37709E44DC_1EBA4EA148ED55DE_6029_UN,N(C1=CC=C(C=C1)C24CC3CC(CC(C2)C3)C4)[S](C5=CC=CC(=C5I)F)(=O)=O,VCAKKCXJWNLLPR-UHFFFAOYSA-N
+83DE04BCEA28F921_272F411C36453391_6034_DP,ClC2=C1N(C(C=CC1=CC=C2Br)=O)CC45OC3(CCNCC3)C(C4)(N)C5,HFOQROZLWUMKKK-UHFFFAOYSA-N
+843788980A5FDAF2_80E5D02C5DE06F52_6041_UN,COC1=C(C=CC(=C1)[N](=O)=O)NC2=C(C=C(CCC)C=C2)C#N,MQVHXEHUKPQWIW-UHFFFAOYSA-N
+859D6751EC904328_EC0BB6D9D3967786_6028_UN,BrC1=CC3=C(C=C1)C2CC(C2)N(C3)[S](C4=C(C=CC(=C4)Cl)I)(=O)=O,BWZARYSGEWQPLT-UHFFFAOYSA-N
+8687EDE7B700E3CD_9D6A79345C55CE0C_6029_UN,N(C1C3CCC1CC2=C(C=CC=C2)C3)[S](C4=CC=CC(=C4F)I)(=O)=O,OKBHPFOQNHLIKJ-UHFFFAOYSA-N
+86DECAB754920344_8CF0257A308E3F46_6035_UN,CC1(O[C@H](CNC1)COC2=CC=C(C=C2)CC3CCCNC3)C,IUZNAPGZMSNBOI-UHUGOGIASA-N
+89E2F91C16037462_5CBF6478E57ADB78_6035_UN,CC1=CC(=NC=C1)NCCOC2=C(C=C(CN)C=C2)[N](=O)=O,LVZHRCHTOTUOJW-UHFFFAOYSA-N
+8A2CE35942C28A9A_0EB1BA54FA5D5DDB_6041_DP,O=[N](=O)C1=C(C=CC=N1)NC2=CC3=C(C=C2)CNCCO3,CGCKSBGPEIQARA-UHFFFAOYSA-N
+8B3397EDA562185C_C531673E41EAF8F2_6029_DP,N1[C@@H]3CC[C@H]1[C@@H](N[S](C2=C(C=C(F)C=C2F)F)(=O)=O)C3,ZWDZORSMTWCRCF-GGVZMXCHSA-N
+8DFE025CAEDBC490_7C13EA96C71051C3_6035_UN,NCC(F)(COC1=CC=C(C=C1)C2CCNCC2)C3=CC=CC=C3,SAWFELJBMMKALL-UHFFFAOYSA-N
+912ADF32FDD7F5EC_86C0B881EAE87E60_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C3=C(O2)C=CC=C3)N4CCCCCC4C5=CC=C(OC)C=C5,GFYHIIIQWKWPDX-UHFFFAOYSA-N
+9442C4C86D3B6BA7_E9C00397D0FAAD9A_6039_UN,CN(C)C3CCN(CCCOCC2COC1(CCCC1)O2)CC3,OUEGGWLUWFEGTH-UHFFFAOYSA-N
+957A42C640110DCC_7A01FA5BB77408B6_6034_UN,CC1=C(C3=C(N1CC(C)NCC2CCC2)C=CC=C3)C4=CCNCC4,BGMFAEBVINRUEG-UHFFFAOYSA-N
+982F70F66F63A198_72DADD5EF4E828BB_6034_UN,FC1=CC2=C(C=C1)C(=CN2CCCC3(C)CC3)C4CCNCC4,OMQRVRNUNTVQAW-UHFFFAOYSA-N
+99CBCF986202F26A_509B14A423A1F767_6041_UN,C[S](=O)(=O)OCC1=C(C=CC(=C1)F)NC2=C(CC)C=CC=C2C,HJGZXOFQQPGDGY-UHFFFAOYSA-N
+9AD001C98E54C343_B70D05A8D48E4283_6039_UN,O(C2C1CCOC1C23CCC3)CC4COC(O4)C5=CC=CC=C5,URJDKPQXJJQAIX-UHFFFAOYSA-N
+9AF73867BBF8C8CC_75B651D9924FAADE_6026_UN,[S](=O)(=O)(C2=C1OC=CC1=CC=C2)N4CCC3=C(C=C(OC)C=C3)C(C4)C,ULDMFTIDEMEBSZ-UHFFFAOYSA-N
+9B34608F4BEC5955_9D7E7A82B1C490D7_6041_UN,COC1=C(N=C(C=C1)[N](=O)=O)NCCC2=CC(=CC(=C2)OC)C,IYXFIQXMJHNLRO-UHFFFAOYSA-N
+9B57B6C93E6B8784_694774C6F44484A0_6039_DP,O(C1CCCC1OC2=CC(=CC=C2)F)CC3NC(OC3C)(C)C,WBGLMUVBXXWHGS-UHFFFAOYSA-N
+9F39A72FAB8BBCDE_F7FCA2A450E2F842_2267_UN,C(#CCN1CCNCCC1)C3=CC=C(CC2(C)NCCC2)C=C3,NVQZZKIHZMBBJU-UHFFFAOYSA-N
+A1279DA55BD051B8_155970F3B811475C_7022_UN,C1(=CC(=C(C=C1)Cl)[N](=O)=O)NCC2=CC=C(C=C2)C3=CC4=C(C=C3)OCCC4,NJTLVUWSYUUWNE-UHFFFAOYSA-N
+A1533356ADF8AD53_A8CA41A9317432B5_6029_DP,N1C3CCC1C(N[S](C2=CC=C(C(=C2C(=O)O)C)F)(=O)=O)CCC3,VYFIVQFWKZRGHR-UHFFFAOYSA-N
+A3B77DF5967A21C1_7269201C9CF2DEC4_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N4CC3=C(C=C(OC)C=C3)CC45CC5,AWQDARJRRHTQMM-UHFFFAOYSA-N
+A3F0CF3C79C0D517_42D721A27C2B8EA4_6039_DP,N2CC(OCC1=CC(=CC(=C1)C#N)F)(C2)C3=CC=CC=C3,IZNHDVOPFKAVTD-UHFFFAOYSA-N
+A4088B8C4442FC9E_520B2D04C36513C1_6041_UN,CC1=CC(=C(C=C1)NCCC3=CC=C(OC2=CC=C(OC)C=C2)C=C3)[N](=O)=O,STIWGHXFENDASV-UHFFFAOYSA-N
+A4088B8C4442FC9E_DA1C3F2DAAB3CA63_6041_UN,CC1=CC(=C(C=C1)NCCC3=CC=C(OC2=CC=C(OC)C=C2)C=C3)[N](=O)=O,STIWGHXFENDASV-UHFFFAOYSA-N
+A66F70BE600E93A3_79120A3BD058BA69_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)OC(=O)C=C2)NCCC3=CC4=C(C=C3)COC4,VOCYRTGHOHMFCV-UHFFFAOYSA-N
+A738E85D673A8B91_18E804287137DDEC_2267_UN,C(#CCCN1CCNCC1)C3=CC=C(CC2(C)NCCC2)C=C3,GNMQYELELBHRTI-UHFFFAOYSA-N
+A7B85C04727F6D0C_B02F044FEA2774D1_6041_UN,FC1=CC(=C(C=C1)C=C)NC2=CC(=C(CC)C=C2)[N](=O)=O,DCHLKGBACQQPDX-UHFFFAOYSA-N
+A84B7E800B3D1BC1_564E3F048A10E223_6039_UN,O(C1=CC2=C(C=C1)OCCC2)CC3=CC4=C(C=C3)NC(=O)O4,ZJLPNJRFVRGYNP-UHFFFAOYSA-N
+A91E5FF7CBB6B0DA_510F61558FAB8950_6039_DP,CC(OCC2CCC1(CCNCC1)O2)(CC3=CC=CC=C3)C#C,HBKJUCGXUQHFSJ-UHFFFAOYSA-N
+AAA5ABE185F4D6B4_7E24E352E1E4BDBB_6034_DP,BrC1=C(C=CC=C1)C2=CSC(=O)N2CC45OC3(CNC3)C(C4)(N)C5,MEYMYSCWQVSMPD-UHFFFAOYSA-N
+AEC853211322201F_E7B99B66BB91FFCF_6041_UN,CC1=CC(=C(C=C1)[N](=O)=O)NCC2=CC(=C(OCCC)C=C2)OC,WXUWVKSXFMNWAD-UHFFFAOYSA-N
+B025BA1D34F1C8C2_2646B3D1B347A7D7_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C=C(Br)C=C2)NCC3=CC=C(N(C)C)C=C3,OWCGJRONQGCEAC-UHFFFAOYSA-N
+B198B0A30FB8D2B8_C615233059AA7857_6035_UN,CC1(O[C@H](CNC1)COC3=CC=C([C@@H]2[C@H](C)CCNC2)C=C3)C,ZSTJVRYMSBPWGN-OLMNPRSZSA-N
+B44BFFBCC6BABC71_6A1B6CEE27CC160B_6041_UN,COCOC1=CC(=CC(=C1)F)NC2=C(CC)C=CC(=C2)[N](=O)=O,VXBDMUNFZDHSDA-UHFFFAOYSA-N
+B4F516893FF7100D_D458D528801424A2_6034_UN,CC1=C(C3=C(N1CCC2NCCCC2C)C=CC=C3)C4=CCNCC4,WHNCMDZPSBQPAD-UHFFFAOYSA-N
+B4FE6E8E2B734AE0_51E913B3611536D7_6041_UN,NC(=O)NC1=CC(=C(C=C1)NC2=CC(=CC=C2)C3SCCS3)F,BZWFCEHLEDTJRT-UHFFFAOYSA-N
+B83241229AA8EB00_F83264BBF27F86CC_6034_DP,CC1=C(N=C([N]1CC2CNCC23CNC3)C4CCCN4)C5=CC=CC=C5,VXLJSPOXODINHJ-UHFFFAOYSA-N
+BA515A853B4467CD_1E9C36522E515617_6039_UN,CC(C)C1COCCC1OCCN2C(C)(COCC2)C,YXMLNOOIMCCFKH-UHFFFAOYSA-N
+BACCFD00F84720D0_5EB182B1067A9FFC_7022_UN,C1(=CC(=C(C=C1)F)[N](=O)=O)NCC2=CC=C(C=C2)C3=CC4=C(C=C3)OCCC4,AJISOKHDWUMQTF-UHFFFAOYSA-N
+BCFF8B6D01394270_CD2FAE24C71054E2_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C=CC=C2)N3CC5(OC4=C3C=C(Br)C=C4)CCOCC5,QDRURMYBUCOZRQ-UHFFFAOYSA-N
+C0BF5E1B1D733975_AA1E2C495BBC5FF2_6026_UN,[S](=O)(=O)(C2=C1OCCC1=CC(=C2)Br)NC4(C3=CC=C(OC)C=C3)CC4,PESCPFXKPWZZOL-UHFFFAOYSA-N
+C1544D3FB9C997D5_CD52AFA7BAB7D7CC_6035_UN,O(CC1=C(C=C(C=C1)C#N)F)C2=CC=C(C=C2)C3NCCNC3,UWBRNRJZRIMXEG-UHFFFAOYSA-N
+C2D6110ADFCADADC_87137336F9416BC5_6034_UN,CC1=C(C3=C(N1CCC2(CC2)C#C)C=CC=C3)C4=CCNCC4,SOODYOMYUHFPAW-UHFFFAOYSA-N
+C3804E6344EB428B_2B53D21AA8CBC4F7_6043_UN,ClC2=C1[NH]C=C(C1=CC=C2)N[S](=O)(=O)C4=C3OCCOC3=CC=C4,PJEKIBYIKQZNJQ-UHFFFAOYSA-N
+C39DF3E3C749FC6B_7B906440BAC70C2E_6029_UN,N(C13CC2CC(C1)CC(C2(F)F)C3)[S](C4=CC=CC(=C4)Cl)(=O)=O,TWEDSEWJISDMGH-UHFFFAOYSA-N
+C44CCD15F6D5A616_6770579E277CAA91_6035_UN,CC1(O[C@@H](CNC1)COC2=CC=C(C=C2)CCC3CCNCC3)C,UMZSOURVQMSRAB-IBGZPJMESA-N
+C86AEC41DCF03CA3_892CB7B7981B786F_6034_UN,CC1=C(N=C(N1CC2(F)CCCOC2)C3CCCN3)C4=CC=CC=C4,WEQZXEBEUYENAA-UHFFFAOYSA-N
+C8F3B988DB94B5F1_114ADB8778DD13B5_6029_UN,N(CC1=CC2=C(C=C1)OCC2)[S](C3=CC4=C(C=C3)[NH]C=C4I)(=O)=O,TXKSWHREKCFGIR-UHFFFAOYSA-N
+C9620003DDCC31CB_9E15F4C6A989EE4D_6038_UN,S(C1=CC2=C(C=C1)OCC2)C(C4=CC3=C(OCC[N+]3(C)C)C=C4)=O,LZVKWAGKSCJFSR-UHFFFAOYSA-N
+C99D7C728BDB9037_31CE86402423C4B8_6039_DP,N3CCC(OCC1=CC2=C(C=C1)NC(=O)O2)CC3C4=CC=C(C=C4)F,KJDLCADZKYIQNS-UHFFFAOYSA-N
+CAEBC01822F64B6D_38DF005E16C81783_6039_UN,CC2=C1OCC[C@@H](C1=CC=C2)OCC3CC4(CO3)CCOCC4,DBARVDVRJIZXLC-LWKPJOBUSA-N
+CAEBC01822F64B6D_60FB86F02C7715FE_6039_UN,CC2=C1OCC[C@@H](C1=CC=C2)OCC3CC4(CO3)CCOCC4,DBARVDVRJIZXLC-LWKPJOBUSA-N
+CDF2B82864AF6D92_CE5EA561E79B624B_6041_DP,NC(=O)NC1=CC(=C(C=C1)N[C@@H]2CNC[C@@H]2[N]3C=CC=N3)F,XFVXHHFOEBDKIA-OLZOCXBDSA-N
+CE2B053A64C9447B_45DF043CB13A5D7A_7022_UN,COCCC1=CC=C(C=C1)NC2=C(CC)C=CC(=C2)[N](=O)=O,DHPMCRGAJZJJQV-UHFFFAOYSA-N
+CE528FA57CD4AA85_6F4330A256909AF9_6041_UN,COC1=CC(=C(C=C1)[N](=O)=O)NCC2=CC=C(CSC)C=C2,NCHQHTOCGAKBEJ-UHFFFAOYSA-N
+CE528FA57CD4AA85_BD76CCBB9AD94D8A_6041_UN,COC1=CC(=C(C=C1)[N](=O)=O)NCC2=CC=C(CSC)C=C2,NCHQHTOCGAKBEJ-UHFFFAOYSA-N
+D013B26CB38C3E5D_DCAECA8DCC1F9031_6028_UN,N(C1C2CC3CC1CC(C2)(F)C3)[S](C4=C(C=CC(=C4)C)Cl)(=O)=O,DEIKFRUXJTVTKU-UHFFFAOYSA-N
+D0DFA595B98481EB_EB6013F43F052CAA_6039_DP,N2CCC(OCCN1C[C@H]([C@@H](C)C1)C)C(C2)C3CCOC3,UCKXTDCOUAJCIZ-JJXSXHAKSA-N
+D1D6B901E72998BB_487A479BB2D31412_6041_UN,CCOC1=CC(=C(C=C1)NCCC2=CC(=CC(=C2)OC)C)[N](=O)=O,AFNDRGDKSXLZLW-UHFFFAOYSA-N
+D2861B3D672F628E_18B8A6B8FBBE258D_6041_UN,COC1=CC(=C(C=C1)[N](=O)=O)NCC2=CC(=CC(=C2)OC)C,ZECDNCLIWJGVMC-UHFFFAOYSA-N
+D42FCCB8A7E77CB6_20F40690AD648687_6035_UN,O(CC1=C(C=C(C=C1)C#N)Cl)C2=CC=C(C=C2)C3NCCNC3,HGCBYJJKTRIPGM-UHFFFAOYSA-N
+D51E37481C7030F8_787A3EE9FF3D2A0E_6041_UN,C1(=CC=C(C=C1)C2CCO2)NCC(SCC)(SCC)SCC,NSVLDWSLLRLMRD-UHFFFAOYSA-N
+D68D5F48365B023B_FD8485E74C2F6490_6041_UN,C1(=CC2=C(C=C1)NC(=O)NC2=O)NCC3=C4C(=CC=C3)C=CS4,CMLTWQQWMGHSOD-UHFFFAOYSA-N
+D762FF1A1A63E3A2_9D36B1101F6B1433_6031_UN,O(C(=O)C1CC(C1)C2=CC=C(C=C2)Br)CC3NC4CC3C=C4,DWEXMLXBSOXQQJ-UHFFFAOYSA-N
+D7FF4C1B4837DEB4_6686003534230459_6034_DP,ClC1=CC2=C(C=C1)C(=C[N]2CC3(NCCNC3)C)CC#N,FWSPSDMTNCKVRA-UHFFFAOYSA-N
+DCEBAAEF807BA219_BFBCCACE10D83BCF_6039_UN,O(CC2(CC1CO1)CCOCC2)CCCN3CCOCCC3,KLIDHEBCTOQWSP-UHFFFAOYSA-N
+DDEF7129FD44DA42_46231B0850F34C6B_7022_UN,CC(C)C1=CC(=C(C=C1)NC2=C(CC)C=CC(=C2)[N](=O)=O)F,IALZYDWCSMCCGY-UHFFFAOYSA-N
+DF65986C9FD3D818_56EAF81F105AC255_6035_UN,NC1(CCNCC1)COC2=CC(=CC=C2)C3CNCC3,CBTYFMJWCNHYDZ-UHFFFAOYSA-N
+E02A70A53B191C84_84081FDB72D76514_6029_UN,N(CC1=CC2=C(C=C1)OCC2)[S](C3=CC4=C(C=C3)C=NC=C4I)(=O)=O,CJCDKFXTSYDDPK-UHFFFAOYSA-N
+E0B59E2401D238F1_25013ABD4BA49FB9_6026_UN,CC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N3CCCC3C4=CC=CC(=C4)N(C)C,NTEPZDBUYHKQLN-UHFFFAOYSA-N
+E3BABA8943BA418A_61380ACD372F3892_6026_DP,[S](=O)(=O)(C1=CC2=C(C=C1)OC(=O)C=C2)N5CCC3(OC4=C(CNC3)C=CC=C4)CC5,UPTAQZSDCHUUMU-UHFFFAOYSA-N
+E420490049D42CA7_C6571F9FF9A64B02_6041_DP,CN(C)CC1=C(C=CC(=C1)NC24CC(OC23CNC3)(C)C4)F,WTWHANOVUFVVHJ-UHFFFAOYSA-N
+E4576FE0CB21BA59_77FBBEBCAD7D9E1F_6029_UN,CN2C=C(N[S](C1=CC(=CC(=C1O)[N](=O)=O)F)(=O)=O)C=CC2=O,SIERBOYVZMQMLP-UHFFFAOYSA-N
+E5D3EA83264D683A_5D4B6AA3B56961F8_6029_UN,N(C13CC2CC(C1)CC(C2(F)F)C3)[S](C4=CC=CC(=C4Cl)F)(=O)=O,SGUAGYRUGPWERV-UHFFFAOYSA-N
+E73BB520D280163B_11339EDD8EADB57B_6039_DP,O(CC2=CC1=C(C=C(C=C1)F)NC2=O)CC4=CC3=C(CCNC3)C=C4,NCXCYLJSWHQEBO-UHFFFAOYSA-N
+E85C79E130E88682_4012F1782A40AB7B_6038_DP,N(C1=CC2=C(C=C1)C=CN=C2N)C(C3(CCCNC3)F)=O,HXRWDOIAWPLAAH-UHFFFAOYSA-N
+E89A7AAC2F2FC04A_FC09D8D41CB7AAAC_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N3C[Si](C)(CC3)C,MRKSRDBVARXCEQ-UHFFFAOYSA-N
+E91E3702100C5B4D_6A47311654E12C77_6004_UN,CNC1=C(C(=CC(=C1)F)C2=CC3=C(C=C2)CC4=C3C=CC=C4)[N](=O)=O,QMDAIHYJCHXOTE-UHFFFAOYSA-N
+EACF7430B98F1E8C_C5529693CE81E8A1_6034_UN,FC1=CC2=C(C=C1)N(C=C2C3CCNCC3)CC(C)(C)CCC#N,UJVSZXOJZDVPTG-UHFFFAOYSA-N
+EE6A083A592A7517_CF12DD2A0FA40C76_6039_UN,CC(=C)[C@H]1CCC(=CC1)COCC3COC2(CCOCC2)O3,PKMLKQRNJJNARE-TZHYSIJRSA-N
+EFEAE8A74A802D47_838BBEFCB8ACCD10_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N3CCCCC3C4=CC=C(N(C)C)C=C4,NPEACOMSRMWFFO-UHFFFAOYSA-N
+F1DB86D5F0F0FCD3_27B1F7CFA52B9546_6029_UN,N(C1=CC=C(C=C1)C24CC3CC(CC(C2)C3)C4)[S](C5=CC=CC(=C5Cl)Cl)(=O)=O,AQYKMTCBKFFEMJ-UHFFFAOYSA-N
+F1F06640AEA1F896_A3BDEE16C548CC0B_6029_UN,N(C1=C(C=CC=C1)C2CC2)[S](C3=CC(=CC(=C3)CC#N)Cl)(=O)=O,YNYNIJFZNNKOFJ-UHFFFAOYSA-N
+F2BFC246F19FE994_5687C210E7B74DD4_6039_UN,O(CC12CCCC1OCC2)CC3CCCC(O3)C4CC4,BQJILQOCMTWYDZ-UHFFFAOYSA-N
+F442694048601EC7_69D8E12F86687D91_6039_UN,CC2=C1OCC[C@@H](C1=CC=C2)OCCN3C(C)COCC3,IBMKGEKCKGJMRV-WMCAAGNKSA-N
+F47B77322AA88A91_B74BDE845EE91056_6039_UN,O(C2CCOC1(CCCC1)C2)CCN3CC(C(C)C3)C,AZQSPELPSMHDEZ-UHFFFAOYSA-N
+F50B9A279F34CB3E_5BB29B612A6CAEC1_6039_UN,O(C1CCOC(C1)C2CCOCC2)CC3=C(CC(C)C)C=CC=C3,VHPFDFFDAXZKKG-UHFFFAOYSA-N
+F50B9A279F34CB3E_5CB6CE73DA4BEE6B_6039_UN,O(C1CCOC(C1)C2CCOCC2)CC3=C(CC(C)C)C=CC=C3,VHPFDFFDAXZKKG-UHFFFAOYSA-N
+F597E027A99001C0_71F946CB732D6990_6026_DP,ClC1=CC2=C(C=C1)C=CC=C2[S](=O)(=O)N3CCNCC3C4=CC=C(OC)C=C4,AYQNSWJSSAKLKN-UHFFFAOYSA-N
+F60E13DBD8314C2D_98384818DBFF18AB_6039_DP,CC(OCC1CNC2(CO1)CCC2)(CC3=CC=CC=C3)C#C,DQZUWHHASFSSJA-UHFFFAOYSA-N
+F798F437081606C3_3E02E9915706C003_6029_UN,CC1=CC2=C(C=C1)OCCN(C2)[S](C4=C3[NH]C=CC3=CC=C4)(=O)=O,BQSRIGYAWUSDKQ-UHFFFAOYSA-N
+F8FAE380539121C1_9B6ECE8D6193B8DC_6034_UN,CC1=C(N=C(N1C[C@H]2NC[C@H](C)CC2)C3CCCN3)C4=CC=CC=C4,VKLOIGPKWHRWHY-XSFKQQOJSA-N
+FAAC5D2FB6EB3C53_8803D0AE62576F40_6039_UN,O(CC2CCOC1(CCC1)C2)CC3CC4(CO3)CCOCC4,WGCCKDISIIZIJM-UHFFFAOYSA-N
+FAAC5D2FB6EB3C53_D027560058E86D3D_6039_UN,O(CC2CCOC1(CCC1)C2)CC3CC4(CO3)CCOCC4,WGCCKDISIIZIJM-UHFFFAOYSA-N
+FADB25445BE9B666_C79BB756A7CF5534_6038_UN,S(C1=CC2=C(C=C1)OCC2)C(=O)C3=CC4=C(C=C3)C(=O)NN4,GQKABYISAPRRMA-UHFFFAOYSA-N
+FC7357A669CBBAB6_7F539A6804E3A0EC_6039_UN,O(C1COCC1CC2CC2)CC3CCCC(O3)C4=CC=CC=C4,JXFZDFLFKYDIHA-UHFFFAOYSA-N
+FD806B9E089A0915_9B4F085680EF2DC2_6039_DP,CC(OCC1CNCC2(O1)CCC2)(CC3=CC=CC=C3)C#C,QXWQASGAQATKPU-UHFFFAOYSA-N
+FDBA67B9FE5A597D_B2EB08A31E3FFE82_6038_UN,CC1=C(C=C(C=C1)[N](=O)=O)NC(CCCC2=C(C=C(OC)C=C2)OC)=O,DDEMWCZBFHAMET-UHFFFAOYSA-N
+FE00C1D0D83E178D_92D9720A55AB9908_6038_DP,N(CC1CC2CCC(C1)S2)C(C3=CC=CC(=C3)C4(CNC4)F)=O,JKFJCVNGPGCXIA-UHFFFAOYSA-N
+FEF49C81FD9F48B0_15DA51F64D6C18E7_6039_DP,COC2C(OCC1=CC=C(CC(C)C)C=C1)CCCCN2,RODZCNNGCJBPNU-UHFFFAOYSA-N
+FF3B360A316CA384_7D835EFE475196DF_6034_UN,CC1=C(C4=C(N1C[C@H]2NCC3(C2)CC3)C=CC=C4)C5=CCNCC5,PQFHZXSTMTVZQK-KRWDZBQOSA-N
+rxn:2:119916:140837,CCCC(CCC1CCCC1)NCCN(C)C1CCCCc2ccccc21,IYCHXFGETXEANU-UHFFFAOYSA-N
+rxn:2:120783:90246,Cc1ccc(CC2COCCC2NCC(C)COC2CCCC(C)C2)cc1,YAJXNBFDRCIACK-UHFFFAOYSA-N
+rxn:2:123455:137170,CC1(C)CC(OCc2ccccc2)CCC1NCCN1CC2COCC2C1,RFJGTKWBVGOJBD-UHFFFAOYSA-N
+rxn:2:128590:85656,COc1cc(C)c(C)cc1C(CCSC)NC1CCCCC1OCC1CCCO1,MEFMQNAVVWZQJO-UHFFFAOYSA-N
+rxn:2:156151:79590,Cc1ccc2c(C)c(CCCNC3CCCCCN4CCCCC34)n(C)c2c1C,ZSRYENHCMCATKN-UHFFFAOYSA-N
+rxn:2:66541:125572,CC1CCCC(NC2(CCN(C)C(C)C)CCCC2)CC1,HQDZAOHFFQKZHM-UHFFFAOYSA-N
+rxn:2:66541:89117,CC1CCCCCC1NC1(CCN(C)C(C)C)CCCC1,GKSIZNYERFTXFI-UHFFFAOYSA-N
+rxn:2:67983:84863,COC1CCCN(CCCNC(C)c2ccc(C3COCCO3)cc2)C1,HYIAQWBEXWWECY-UHFFFAOYSA-N
+rxn:2:68921:85527,Cc1ccc(C)c(C(CCN2CCCC(C)C2)NOC2CCC3CCC32)c1,DCGCBBDPCXJQMI-UHFFFAOYSA-N
+rxn:2:75531:89117,CC1CCCCCC1NC1(CCN(C)C(C)C)CCC1,XWUFCLHWKHMXIT-UHFFFAOYSA-N
+rxn:2:75927:93952,CCC(COC1CCCC(C)C1)NC1COCCc2c(C)ccc(C)c21,PXPNXHCJCDTTHJ-UHFFFAOYSA-N
+rxn:2:79590:156151,Cc1ccc2c(C)c(CCCNC3CCCCCN4CCCCC34)n(C)c2c1C,ZSRYENHCMCATKN-UHFFFAOYSA-N
+rxn:2:81991:85527,Cc1ccc(C)c(C(CCN2CCCC(C)C2)NC2CCCCCC2F)c1,JHJRPQSIJSOZNZ-UHFFFAOYSA-N
+rxn:2:82916:122376,Cc1ccccc1CN(C)C1CCCCCC1NCCN1CC[C@@H](F)C1,JBDHZSUPAFDWMU-ITAUSPCMSA-N
+rxn:2:85527:81991,Cc1ccc(C)c(C(CCN2CCCC(C)C2)NC2CCCCCC2F)c1,JHJRPQSIJSOZNZ-UHFFFAOYSA-N
+rxn:2:85656:128590,COc1cc(C)c(C)cc1C(CCSC)NC1CCCCC1OCC1CCCO1,MEFMQNAVVWZQJO-UHFFFAOYSA-N
+rxn:2:90246:120783,Cc1ccc(CC2COCCC2NCC(C)COC2CCCC(C)C2)cc1,YAJXNBFDRCIACK-UHFFFAOYSA-N
+rxn:2:91183:133359,Cc1ccc(CCN2CCC(NCCN(C)C3CCCCC3N(C)C)CC2)cc1,DMZZFVMWNYRQIV-UHFFFAOYSA-N
+rxn:2:99021:114423,COC1CO[C@H](CNC(C)c2cc(C)ccc2OCC2CCOCC2)C1,QJQFGABNXOAXBC-AVAKVYKDSA-N