Added 176 molecules from epoch 15623 for P23975

P23975_molecules.csv

@@ -21606,3 +21606,179 @@ F98A4FBCF185C907_23B38F8D7E1440CE_6026_UN,CC1=C(C=C(C(=C1)[S](=O)(=O)NCC2=C(C)C=
 F9B16DD6A56F093C_9A8517BB17F8700C_6035_UN,CC(C)C2=CN=C(COC1=C(C=C(C)C=C1C)[N](=O)=O)O2,QYSKNONXZBJERU-UHFFFAOYSA-N
 FA6D763C9978C7A5_26B1D5AAAA22B2D8_6026_UN,O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)N[S](=O)(=O)OC2=CC(=CC=C2)C#N)Br,TWHDLYYCHBSJCD-UHFFFAOYSA-N
 FE5442E048627409_3D75F6EADE7FD450_7022_UN,C1(=CC(=C(C=C1)F)[N](=O)=O)OCC2=N[N](C(C)C)C(=C2)C,REDRFZBKLJHTQT-UHFFFAOYSA-N
+010119889166C9C8_D59B3F4363EEB854_6041_UN,COC(=O)C(C)(C)C1=CSC=C1NC2=C(C=CC=C2)[S](=O)(=O)O,MBGQMGWGUCCARR-UHFFFAOYSA-N
+07FF2354F8490E34_FB8498FF700C175C_7022_UN,C[Si](C)(C)C1=CC=C(C=C1)OCC2C3CCC#CCCC23,CKOGPKJWZXBWKB-UHFFFAOYSA-N
+09ED4AE87BC59926_FAFF4FE0D56F4FF6_6039_UN,CC(C)C(OCC2CC1OCCC1O2)CC3=CC=C(C=C3)F,DLHDGSLNNLXQSS-UHFFFAOYSA-N
+0A9CAC572D14FD9B_D06C3E2F979323D2_6039_UN,CC2COC1=C(C=CC=C1)C2OCC(NC3=CC=C([N](=O)=O)C=C3)=O,MCGGGMFZZXVLEB-UHFFFAOYSA-N
+0B0EA4470CA47736_112FA6C55466A73F_6031_DP,O(C(=O)CC1OCC2=C1C=CC=C2)CC3NCCNC3,IERKCOVUBNDWNO-UHFFFAOYSA-N
+0B0EA4470CA47736_ADAEEB3D9B5EBB7C_6031_UN,O(C(=O)CC1OCC2=C1C=CC=C2)CC3NCCNC3,IERKCOVUBNDWNO-UHFFFAOYSA-N
+0B8E9F121295AD6A_242227BDC99D6FC9_6039_UN,O(C1CCCOC12CCOCC2)CCC(C)(C)C3CC3,IZPMHVYSVVJWCO-UHFFFAOYSA-N
+0BF76993572109DC_B2FEBE1969AFC2D7_6035_UN,CC4(C)COC3(C[C@@H]2CC(OC1=CC(=C(C=C1)I)Cl)C[C@@H]2C3)OC4,UAZNEBMUDYGRCB-NNQSOWQGSA-N
+0EB4CEC47F0E7351_3CA78F5707743D29_6029_UN,C(OC1=CC2=C(C=C1)C=C[N]2[S](C3=COC=C3)(=O)=O)C4CO4,GUQSJHRYWDZDSM-UHFFFAOYSA-N
+0F22730696DFACF3_7E504EBBC372FB8D_6031_DP,O(C(=O)C1(CC1)C2=CC(=CC=C2)Cl)CC3[C@@H]4CNC[C@H]34,GGEGAFMESSPMRZ-PBWFPOADSA-N
+0F22730696DFACF3_84DD53BB6BE6614A_6031_UN,O(C(=O)C1(CC1)C2=CC(=CC=C2)Cl)CC3[C@@H]4CNC[C@H]34,GGEGAFMESSPMRZ-PBWFPOADSA-N
+0F77284BEF09B4D3_D6CE0FC0306DED47_6031_UN,O(C(=O)C1(CC1)C2=CCNCC2)CC3=C(C=CC=C3)Cl,FTFYBVNUNIZYOH-UHFFFAOYSA-N
+101EBC7A5F34E444_84C88E764EA5FD70_6038_DP,N1CCOCC1CNC(=O)C(=CC2=CC(=CC=C2)F)F,KAFHLFYXERIAEZ-UHFFFAOYSA-N
+14A21C6534F621C8_B0F56A62AD91A0D8_6031_DP,O(C(=O)CC1COCC2=C1C=CC=C2)CC3CNCCNC3,ZCJFOQNUIKWTKD-UHFFFAOYSA-N
+1685161FEF641385_B23A76D809A6469B_6038_UN,N(CC2=CC1=C(C=CC=C1)O2)C(=O)C[N]3C=CC4=C3C=CC=C4[N](=O)=O,SNQKGSNBNUBRJE-UHFFFAOYSA-N
+1863BB7864898F33_032F55F765167875_7009_UN,CC1(CC1)[S](=O)(=O)NC(=O)C(=O)CC2=CC(=CC=C2)Cl,PPLYVXIWLXEIFD-UHFFFAOYSA-N
+1A1EBC52AC50590D_6258B2C928F2796B_6004_UN,O=[N](=O)C1=C(C=CC(=C1)C3=C2OCCOC2=CC=C3)S,CIKCJWNDLUNSHA-UHFFFAOYSA-N
+1AC2D612FAE2E884_4C846CDB21EEAD0B_6041_DP,C[N]1C(=CN=C1C2CCCCN2)NC[C@]3(CCCN3)C,UAFXTNJJOHSZFM-WPZCJLIBSA-N
+1B4C97EF525877AD_8F09244A105B3703_6036_UN,C(C2NC1(COC1)CNC2=O)N(CC=C)[S](=O)(=O)C3=CC=CC=C3,JXGCPCLYHWTYOQ-UHFFFAOYSA-N
+1EAD1AD41F455235_78ADBC2DEB3F373A_7019_UN,O=[N](=O)C1=CC(=CS1)C=CC2=CC=C(S2)C3OCCO3,CFKPPGGSIMNFHN-UHFFFAOYSA-N
+1FA80111931F22E3_2E4259071E825BDB_6041_DP,CC1=C(C2=C([NH]1)C=CC=C2)NCC(C3CCCN3)(C)C,KJGKUDLYFVGAIR-UHFFFAOYSA-N
+2381A8FCD5CC88B6_F4612979C511304E_6038_DP,O(C2COC1=C(C=CC=C1)C2=O)C(C3([S](C)=O)CCNCC3)=O,WMKVCOPGVQVGEB-UHFFFAOYSA-N
+2A61218BD01AEC61_390F91E0D548423E_6039_UN,CC(OCC2CC1COCC1O2)C3=C(C=CC(=C3)C)F,QSZUPJQGXCXZPY-UHFFFAOYSA-N
+2E02DF71EB4BF330_216B5E45D13F262D_7022_DP,COC1=C(C(=C(C=C1)NCC3NC2COCC2C3)C)F,GHYDTBQROHMEJO-UHFFFAOYSA-N
+2E568DEE98AC0D98_93D71D64A90DE37C_6004_UN,O=[N](=O)C2=C1OCCC(C1=CC(=C2)C3=CC4=C(C=C3)C=CC=C4)=O,FLLDALAZQGOVPG-UHFFFAOYSA-N
+2F1B701B31DA564E_97A20D683867862F_6031_UN,O(C(=O)C1(CCC1)C2=CCNCC2)CC3=CC(=CC=C3)Br,CTSFUWVRMVYPFP-UHFFFAOYSA-N
+30F5F971427AB4B1_46B6D6E157ACB068_6031_UN,O(C(=O)CC1COCC2=C1C=CC=C2)CC3NCCNC3,ACGRWMCHUWPRDC-UHFFFAOYSA-N
+30F5F971427AB4B1_FA379B199894AC2B_6031_DP,O(C(=O)CC1COCC2=C1C=CC=C2)CC3NCCNC3,ACGRWMCHUWPRDC-UHFFFAOYSA-N
+312086E8FDA5AC0E_6ECE2A334B6AE0AD_6027_UN,CN3C(=O)C=C(N[S](=O)(=O)CC1=CSC=C1)N(CC2=CC=CC=C2)C3=O,PYEKDHVSYAWFNH-UHFFFAOYSA-N
+312086E8FDA5AC0E_6ECE2A334B6AE0AD_7015_UN,CN3C(=O)C=C(N[S](=O)(=O)CC1=CSC=C1)N(CC2=CC=CC=C2)C3=O,PYEKDHVSYAWFNH-UHFFFAOYSA-N
+31326911CF6E5F20_02BB9DF7FD90FEA7_7009_UN,N([S](=O)(=O)C1(CC1)C=C)C(=O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Br,BRXJYWIFRYXSAH-UHFFFAOYSA-N
+327AA8BD9130B447_3BE5FF97C17DAAD9_6003_UN,O(CC1OC1C2=CC=CC=C2)C3=CC=C4C(=C3)[S](CNC4=O)(=O)=O,QEOWOGZTSRQELT-UHFFFAOYSA-N
+33104C73886E16FC_14D1AB586A78916E_6031_UN,O(C(=O)[C@@H]1CNC[C@H]1C2=CC(=CC=C2)F)CC3=CCNCC3,RYKSPAYMYQYGQS-JKSUJKDBSA-N
+338F68D8AC95E0A2_E5F53189E21A4590_6038_UN,CC1=C(C=CC(=C1)C(OC(=O)C3C2CCCC2ON3)C4CC4)F,SMHOOQVITZMYJP-UHFFFAOYSA-N
+36FF41994C7F187A_54E74A3CA30F1D36_7019_UN,O=[N](=O)C1=C(C=CC(=C1)C=CC2=C(C=CS2)C3OCCO3)Cl,SWAHPYXRXDSEDO-UHFFFAOYSA-N
+3776FC8D27D10DE9_021C8A88CC10EA80_7019_UN,CC(C)OC1=C(C=C(C=C1)C=CC2=NO[C@@H]3COC[C@H]23)Cl,JISGDTMYWHRRCZ-MLGOLLRUSA-N
+40A5189F4A6E6689_C2F33926D4F8FBDE_6041_DP,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NCC3(CNC3)F,HELRCFLHMBTDFR-UHFFFAOYSA-N
+41E11D0A6839BDF1_84A2899CE93CBB6C_6029_UN,N(C2=C1OCCC(C1=CC=C2)=O)[S](C3=C(C=CC=C3)CCCC=C)(=O)=O,BBIAOGNMCVRJTD-UHFFFAOYSA-N
+4231BBF914C72E2C_9DB90417441BB06F_6041_UN,O=[N](=O)C1=CC(=C[NH]1)NC3=C(C=C2OCCCOC2=C3)S,MMOXGJMYYNHLPQ-UHFFFAOYSA-N
+429051346190B36D_A9138D084B6C6964_6026_UN,CC1=C(C(=C(C=C1)C)[S](=O)(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3)[N](=O)=O,IAWWSPBJAUSMST-UHFFFAOYSA-N
+438155E990238F56_2B2CB5BCC1DEF621_6043_UN,CN1C(=O)NC2=C1C=C(C=C2)N[S](=O)(=O)CCOC3=CC=CC=C3,WKLNBJHFJJOHES-UHFFFAOYSA-N
+44C013EF3DC4AADD_8D54E1DECFAD7974_6041_DP,C[Si](C)(C)CC1=C(C=CC=C1)NCC2CCNC23CC3,PEXBGBOBCINYBK-UHFFFAOYSA-N
+4579FBC3F852863A_6714C0F1F6BCC56F_6039_UN,CC[C@@H](OCC2CCC1(COC1)O2)C3=CC(=C(C=C3)F)C,FRNHNKIOJIOMKR-BZSJEYESSA-N
+47EFA6E3CC65BAA0_DA5458DAE35B51CA_7022_UN,C(=CC1=CC(=CC(=C1)F)F)N[C@H]3[C@H](C2=C([N](N=C2C)C)C)OCC3,ZODDZIPOLJPKCS-SJLPKXTDSA-N
+489B626E11F5A247_4B3FCAE9B1BA6374_6035_UN,CC4(C)COC3(C[C@@H]2CC(OC1=CC(=C(C=C1)I)Br)C[C@@H]2C3)OC4,YGPBBXFCBZZMBL-NNQSOWQGSA-N
+49B2BA593F5EB4BE_0E654A27748918E8_6041_UN,O=[N](=O)C2=C1OCCC(C1=CC(=C2)NCC3C4=C(CN3C)C=CC=C4)=O,AAQGLTNRFPLPPS-UHFFFAOYSA-N
+4B654CB25034115E_31B50CC73CC872F9_6041_UN,O=[N](=O)C1=C(C=CC=C1)NC3=C(C=C2OCCCOC2=C3)S,VNHSTXHOGOTIOK-UHFFFAOYSA-N
+4B654CB25034115E_CDFC75CA0C784FB6_6041_UN,O=[N](=O)C1=C(C=CC=C1)NC3=C(C=C2OCCCOC2=C3)S,VNHSTXHOGOTIOK-UHFFFAOYSA-N
+4B654CB25034115E_FBA2C4F2C2324F7C_6041_UN,O=[N](=O)C1=C(C=CC=C1)NC3=C(C=C2OCCCOC2=C3)S,VNHSTXHOGOTIOK-UHFFFAOYSA-N
+4CC227FE1E4FD890_9C4560C08B49D74B_7019_UN,CC(C=CC1CC(C(C)C)OCC1)C2=CC(=CC=C2)Cl,DFGVYXCDTQXKAU-UHFFFAOYSA-N
+4FAC76E67E0DABC6_1499F86B7DB01E10_6031_DP,O(C(=O)CC(C1CCNCC1)C2=CC=C(C=C2)F)CC3[C@@H]4CNC[C@H]34,UZLDMMUGMRAMMK-FXSDRFNOSA-N
+5320B9A0EB3CB369_4FD3ACD163144311_6031_UN,O(C(=O)CC(C1CCNCC1)C2=CC=CC=C2)C[C@H]3OCCNC3,GNTLRMBLQADSBJ-ZENAZSQFSA-N
+53F9A088327C645D_AA47FE3BA27C6B24_6038_UN,N(CC(=O)C1=C[NH]C2=C1C=CC=C2)C(C3(C[S](C)(=O)=O)COC3)=O,IDMNBVFRBROSOQ-UHFFFAOYSA-N
+55B44F02D838A96E_442E35E85CFEBEEA_6026_UN,CC1=CC(=C(C(=C1)[N](=O)=O)C)[S](=O)(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3,SEBCTKZHFBOCLN-UHFFFAOYSA-N
+56C4D0788AAD31A0_3B5D2BC9741E118F_7019_UN,C(C2CCC1CC1C2)=CC(C)=CC3=C(C=CC=C3)OC(F)F,TUHNXGIWMNSRHB-UHFFFAOYSA-N
+5FBF1B7C99B86FAE_D14762418E9CB8F1_6029_UN,COC1=C(C=CC=C1)ON[S](C2=CC=CC(=C2C)[N](=O)=O)(=O)=O,YDHQYIGGZDAXIN-UHFFFAOYSA-N
+5FDF8F271862CFAF_9FB6293431510576_6038_UN,CN2C=C(NC(=O)C1=C(C=CC=C1)[S](=O)(=O)O)C(=O)N(C)C2=O,RGXHTJIJCAKUHW-UHFFFAOYSA-N
+6036C7F7919FCFCD_B25AE1846FFA9F1A_6041_DP,CC1=C(C2=C([NH]1)C=C(C=C2)NCC3(CCCNC3)C)C,QINMFGWDJVJUPL-UHFFFAOYSA-N
+610590DB784F24F3_35DDB820341A7819_6038_UN,CCC[S](=O)(=O)NC1=CC(=CC=C1)OC(=O)CC2COC3=C2C=CC=C3,ULYNSHLJBPKAAS-UHFFFAOYSA-N
+61C3123604F6CB4E_B185D6073FB49B7E_6039_UN,CC(OCC2CC1COCCC1O2)C3=C(C=CC(=C3)C)F,XABPCRYSMJKWPA-UHFFFAOYSA-N
+626ED90DAF93F24F_AEBFF577D849B571_6029_UN,N(C1=CC=C(C=C1)OC2COC2)[S](C3=C[NH]C4=C3C=CC=C4)(=O)=O,ABPGSQVHIHLQCB-UHFFFAOYSA-N
+67652C0AAB1ADCA1_ED0665D4A5DEEAD4_6028_UN,CN1C4=C(OC[C@@H](C1=O)N[S](C2=CC3=C(C=C2)C=CC=C3)(=O)=O)C=CC=C4,ZOGGREWTMHAXAV-KRWDZBQOSA-N
+6B9A4F8DD697B604_8D29516358ADAEEF_6038_UN,O([C@H]1CONC1)C(CC(C)C2=C[NH]C3=C2C=CC=C3)=O,IXQIQOPMWGFJKN-RRKGBCIJSA-N
+6B9F2F77B6B25CC4_8B9478B5FCAFABEC_6038_DP,N3CC(=C(F)CNC(=O)[C@@H]1CNC[C@H]1C2=CC=CC=C2)C3,VJDPSWPVYQMACV-UONOGXRCSA-N
+6FB6ED54470AA173_1207E99A2C583FB5_6039_UN,CC(C)C(OCC1CCCC(O1)C2CC2)CC3=CC=C(C=C3)F,XIUBZXMEGMNGKM-UHFFFAOYSA-N
+6FC7E02238952EC9_EC8D2EBFE4DBDB8A_6026_UN,CC1=C(C(=C(C=C1)[N](=O)=O)C)[S](=O)(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3,QSDZWXRGWZNPPM-UHFFFAOYSA-N
+71C2537FE8CC61C6_B9691DE8B5083D58_6038_DP,N4CC(OC(=O)[C@@H]1CSCN1C(=O)C2=C[NH]C3=C2C=CC=C3)C4,WKNVGYSNYHMNJC-AWEZNQCLSA-N
+71D661C9302CFFEF_7A91E9F39EED1EC1_6034_UN,NC1=C(Cl)N=CN(C1=S)CC2C(CNCC2)C3=CC=CC=C3,OJJVENRIDOYPBO-UHFFFAOYSA-N
+7216950D64F769B4_9C425B75A60555FD_7022_UN,CC(C)C1=CC(=C(C=C1)OC3C2CCOC2C34CCC4)F,MUXURFAACVOGFO-UHFFFAOYSA-N
+730D020579CB11E8_FF0D01626D316D1A_6031_UN,O(C(=O)C1(CCC1)C2=CCNCC2)CC3=CC(=CC=C3)I,FGONYWVZWGONEU-UHFFFAOYSA-N
+73CABB7D2B7854CC_F37340C90D011653_6004_UN,O=[N](=O)C2=C1OCCC(C1=CC(=C2)C3=CC=C(CCC)C=C3)=O,OHBMWCJFPDYXAI-UHFFFAOYSA-N
+745AF3774AD0AFBA_ACF6635E713D156F_6031_DP,NC[C@@H]1CNC[C@]1(F)C(=O)OCC2CNCC23CNC3,BAOVIUBORPUELU-NDAPUWOLSA-N
+74673CD62B12E4F1_3CC5E157CF41130A_6039_UN,CC2COC1=C(C=CC=C1)C2OCCC(NC3=CC=C([N](=O)=O)C=C3)=O,RHBZJNUIFNCIRY-UHFFFAOYSA-N
+753799228546BE34_95DD48879AE44814_7019_UN,C(C2CC1CC1C2)=CC(C)=CC3=C(C=CC=C3)OC(F)F,HGFZIYLEGBBRTC-UHFFFAOYSA-N
+756C9EED4843AE32_237EAC027C41D61D_6041_DP,CC1=C(C2=C([NH]1)C=CC=C2)NC(C3CCNCC3)(C)C,UCPWZFSPBNMVDF-UHFFFAOYSA-N
+75FC0D8EB97E0F4E_25673242C9080EA4_6026_UN,COC1=C(C=C(C(=C1)C)[S](=O)(=O)NC2=C(C)N(N(C2=O)C3=CC=CC=C3)C)OC,IAQPTWJTVZLVCL-UHFFFAOYSA-N
+7CC578047BCF811F_7A749C6E60480CAC_6041_UN,O=[N](=O)C1=C[NH]C(=N1)NCC(N2CCOCC2)C3=C(C=CC=C3)F,NXOMSRRXUPTIFT-UHFFFAOYSA-N
+7CC578047BCF811F_AE837A283E7D1D1F_6041_UN,O=[N](=O)C1=C[NH]C(=N1)NCC(N2CCOCC2)C3=C(C=CC=C3)F,NXOMSRRXUPTIFT-UHFFFAOYSA-N
+7CCD8B748B8AB5D6_DEC4C09F0047C327_6041_DP,COCC(=O)C1=C(C(=CC=C1)NC[C@H]2NC(OC2)(C)C)F,MGXDLGZSCRGERF-SNVBAGLBSA-N
+80F047604F8FDC31_7033DAB54EA65D93_6031_UN,O(C(=O)C1(CCC1)C2=CCNCC2)CC[C@H]3CNCC3,SMODYIFIYIASFL-ZDUSSCGKSA-N
+82B684282BDB6A39_43C81E9FA6397A71_6038_DP,N3CCOC(CNC(=O)C(=O)C1=C[NH]C2=C1C=CC=C2)C3,SRIQOVUGMMCXSV-UHFFFAOYSA-N
+82F5FD4369BDCB74_7E63B6924DD8F032_7009_UN,N([S](=O)(=O)C1=CC2=C(C=C1)NC(=O)N2)C(C3C4=C(N(C)C3)C=CC=C4)=O,YYCABPQPPRJIJO-UHFFFAOYSA-N
+831B7ACDAD4CEF0F_A434A291A12ABE3E_6038_UN,CC(NC(=O)CC[S](=O)(=O)NC1=CC=CC=C1)C2COC3=C2C=CC=C3,MUMGGBWPHRXJIC-UHFFFAOYSA-N
+8362F5FBE5C47A3B_143F1411986D5417_6038_UN,CCSC(C[S](NC1=CC=C(OC(C)C)C=C1)(=O)=O)=O,NDVGPGWBAHKLIM-UHFFFAOYSA-N
+851F339C0BAA797F_DD928A5697A6CB4A_6041_DP,C[N]1C(=CN=C1C2CCCCN2)NCC3(CCNC3)C,OKMNWSJUMWVITL-UHFFFAOYSA-N
+86DA71CB09C02BCE_DDF20EC38A33020C_6038_UN,O(C1CCC1)C(C4=CC2=C([N](C)C3=C2C=CC=C3)S4)=O,PSIDWESWEMAJMK-UHFFFAOYSA-N
+88C31505C1E0FCEE_3C8674E896C6C0CA_7022_UN,CC(C)C1=CC(=C(C=C1)NC[C@@H]2CC[C@@H](O2)C3CC3)F,ZAWVFAUADHKDOB-WMLDXEAASA-N
+8A5ED5B0943DB9F3_2CCE70BA6AD4F678_6041_DP,C[N]1C(=CN=C1C2CCCCN2)NCC3(CCCNC3)C,SYESQAAYHFBDDS-UHFFFAOYSA-N
+8C1A9903A7B08BC1_DF210F454AB9C8A4_6035_UN,O(C1CCC2CC1CN2)C3=C(OC)C=CC(=C3)[S](=O)(=O)F,XXRGAOUVCIDPIW-UHFFFAOYSA-N
+8C7B671357777B29_9FC508E6AA84645D_6039_UN,CC(C)C(OCC1CCC(O1)C2CC2)CC3=CC=C(C=C3)F,QRACDCZYWHNQDB-UHFFFAOYSA-N
+8C7B671357777B29_B1D7DA5EADF4B220_6039_UN,CC(C)C(OCC1CCC(O1)C2CC2)CC3=CC=C(C=C3)F,QRACDCZYWHNQDB-UHFFFAOYSA-N
+8F1FA4AB8569C26B_58D3A4DB479B78F0_7022_DP,CC(C)CC1=CC(=C(C=C1)O[C@@H]2CC[C@H]3CNC[C@@H]23)F,CFALGXMXABAYIU-SQWLQELKSA-N
+8F26E95F6D4F7574_516D3A7CD09569DB_6041_UN,O=[N](=O)C2=C(C=C1OCCOC1=C2)NC4=C(C=C3OCCOC3=C4)S,CCERCFRXOUVCBU-UHFFFAOYSA-N
+8F4A510569F773A5_19D14EB16C5939E7_6041_UN,O=[N](=O)C2=C(C=C1OCCOC1=C2)NC4=C(C=C3OCOC3=C4)S,WTABDBDXUAJSCX-UHFFFAOYSA-N
+8FDA86D06DD766CE_AAE4DF4B2B7301C5_6031_DP,C[S](=O)C1(CCNCC1)C(=O)OCC35C2C6C4C2C3C4C56,WMQXDRBXXXRATF-UHFFFAOYSA-N
+903810F6640B64E4_3816FCEE72EAC76A_6038_DP,N3C[C@@H](OC(=O)CC(C1CCNCC1)C2=CC=C(C=C2)F)CO3,KPODCUBNECGYFK-AAFJCEBUSA-N
+93B24D0015C244AC_057A33FDFF18586D_6034_UN,O=C(N1CCCNCC1)C2=CC=CN2C[C@H]3NC[C@H](C3)Cl,LMJZDPPABOZXSI-STQMWFEESA-N
+949A194B1DDC90FD_6842E2EFE10E5627_6041_DP,C[Si](C)(C)CC1=C(C=CC=C1)NCC2CCNC23CCC3,APBAFCDUNNIFFM-UHFFFAOYSA-N
+9554263003115DEC_1378F96703EBB465_7022_UN,CC(C)C1=CC(=C(C=C1)OC3C2CCOC2C34CCCC4)F,VQBGKHVDWGVQDE-UHFFFAOYSA-N
+96752C568B801809_CC2B738A4A6ACB8A_7009_UN,CCOC1=C(C=CC=C1)[S](=O)(=O)NC(=O)CN2C(=O)C(=O)NC3=C2C=CC=C3,XYRGIKIXNSTBGO-UHFFFAOYSA-N
+96C97F533F149CCD_9CD9A20442C35B61_6031_UN,O(C(=O)C1(CCC1)C2=CCNCC2)CC3=CC=C(C=C3)I,PACWYFKLLFQPGB-UHFFFAOYSA-N
+987AB02FEF6DA560_707C4EF92D47E933_6029_UN,N(C1CC(C1)=O)[S](C2=C(C=CC=C2)CCCC=C)(=O)=O,PZNHTVMAUCXMQY-UHFFFAOYSA-N
+98917B21C007252F_9F84E360E4789DC4_6038_UN,N(C1C2CC3CC1CC(C2)(F)C3)C(=O)C(=O)NC4=NC=C[NH]4,WOYSQAXLQGXVRK-UHFFFAOYSA-N
+9C149CB27338401D_1286378D0C9FEE2A_6038_UN,N(CC2=CC1=C(C=CC=C1)OC2=O)C(=O)C[N]3C=CC4=C3C=CC=C4[N](=O)=O,PRPAOYJCMQTXCG-UHFFFAOYSA-N
+9CE524A84DF6900C_F417199CDC6E8BB2_6034_UN,CCC(C)N=C1N(C(=CS1)C2=CC=C(C=C2)Cl)C[C@H]4[C@@H]3CNC[C@@H]3C4,SPNJQSQSUNOSLD-ROOJKOGMSA-N
+A2DACE38F1896419_B95CB25DAF6D9129_6038_DP,N4C[C@H](OC(=O)CC1CCCC2=C1[NH]C3=C2C=CC=C3)CO4,PTPJAXOGUIJCGZ-KIYNQFGBSA-N
+A3351B2738D88BA4_D3B435FCE13C7232_6041_DP,COCC(=O)C1=C(C(=CC=C1)NC[C@@H]2NC(OC2)(C)C)F,MGXDLGZSCRGERF-JTQLQIEISA-N
+A35FA05B98980A42_A6084C92232FFDC3_7009_UN,CC1(CC1)[S](=O)(=O)NC(=O)C(=O)CC2=CC(=CC=C2)Br,ARMFFOSSGGKXDJ-UHFFFAOYSA-N
+A41387AC0904EA18_553F5F3AC08787D3_6041_DP,ClC(=NC1=CC=C(C=C1)NCC2CNCC(C2)(C)C)Cl,SXMSDTVPQGDWPN-UHFFFAOYSA-N
+A4325EB8186A9293_EB679E6E403637FC_6038_UN,O(C2C1=C(C=CC=C1)OC3=C2C=CC=C3)C(CCN[S](CC)(=O)=O)=O,NCKZOSVOHSLZLY-UHFFFAOYSA-N
+A473B3A435C9D948_BA9D6AA4D594BB92_6034_UN,NC1=CC(=CN(C1=S)CC2(CNCC2)C3CCOCC3)Br,PXQCNXLOIKRXJW-UHFFFAOYSA-N
+A6F668CF4F9AA512_FD4F654FAEE047B4_6034_UN,NN2C(=O)N(C1=C(C=CC=C1)C2=O)CC4C[N]3N=CC=C3CNC4,PUZSEBDFSZRLRZ-UHFFFAOYSA-N
+A99679A7C99BBE62_2F5F327D72607179_6041_DP,OC(=O)C1=N[NH]C(=C1C2=CC=CC=C2)NCC3(COCCNC3)F,HUZGJYRVKYAUBK-UHFFFAOYSA-N
+AADFB673B1F2726B_4CB19A06FF363F7F_6026_UN,CC1=CC(=C(C(=C1)[N](=O)=O)C)[S](=O)(=O)NCC2=CC(=CC=C2)OC3=CC=CC=C3,QEEUBJJYJLHBQA-UHFFFAOYSA-N
+AC7D76669C54C1C6_08D4F55DDE84EFAF_6038_DP,C[C@@H]1CCNC[C@H]1OC(=O)CC(C2CCNCC2)C3=CC=C(C=C3)F,GCAOSPRCRJDMDT-LVYUKURTSA-N
+AE8CBCEC810D782D_323517EBEE3B41AF_6031_UN,O(C(=O)C1(CC1)C2=CCNCC2)CC3=C(C=CC=C3)Br,NOMYLHZAJVTXNA-UHFFFAOYSA-N
+AF36334002AFA12E_73664F73EB7CA310_6041_UN,O=[N](=O)C1=CC2=C(C=C1)C(=CN=C2NC3=CC(=CC=C3)C4OCCO4)F,XZLCJFBQDXVXIU-UHFFFAOYSA-N
+B23FDA51E2DF2116_97BD2DD2D773CA35_6041_DP,OC(=O)C1=C(C2=C([NH]1)C=CC(=C2)NC[C@H]3NC(OC3)(C)C)F,SLBSYFATJWRERC-SECBINFHSA-N
+B2D8BDB6A718DEFA_AB6E7BBEED920392_7009_UN,N([S](=O)(=O)CCC1=CC=CS1)C(C2=CC=C(N(C)C(=O)C)C=C2)=O,MDCBFMWNJIOJEC-UHFFFAOYSA-N
+B33FF8B05EC89094_84073AE21F67C3AF_6038_DP,N3CC(CNC(=O)C(=O)C1=C[NH]C2=C1C=CC(=C2)F)C3,AXWPVOQOHCZOJY-UHFFFAOYSA-N
+B42E59FA76B9605E_9A9E679BF702F08B_6039_UN,CN1C(C(CC1)OCC4CC2(CC3(C2)OCCO3)CO4)(C)C,HVWQYZJANJNZJU-UHFFFAOYSA-N
+B6C7E6FB90B60CD2_537D95FB2460E118_6038_DP,O(CC2C1=C(C=CC=C1)OC3=C2C=CC=C3)C(C4CNNC(C4)=O)=O,SGIOEHWAUFNPDE-UHFFFAOYSA-N
+B6F22216F4E82BA1_46A6760BDDD144D0_6029_UN,CN1C(C=CC=C1N[S](C2=CC=CC(=C2)OCC(C)=C)(=O)=O)=O,SSYWPHSWIRZNTG-UHFFFAOYSA-N
+B7345A42CDF9915B_3F730F9380184C90_6039_DP,COCCC3(COC[C@H]1CNCC(O1)(C)C)CC2OC2C3,LJPHSQISDPBZTG-BHTBLZRRSA-N
+B80EAF05D72D9C1C_D39E525CE46C5BC2_6029_UN,N(CC1OC(N(C1)C2=CC=CC=C2)=O)[S](C4=C3[NH]C=CC3=C(C)C=C4)(=O)=O,YEFZRFWXCWAFBR-UHFFFAOYSA-N
+B8B343E29FCA03E1_DD27545B14085F23_6034_UN,CC1=C(C4=C(N1CC2(CCCO2)C3CC3)C=CC=C4Br)C,VVYCBFFXUWHJQS-UHFFFAOYSA-N
+B901004A66935135_4FFF9FC6C361DCD8_6038_UN,N(C3C2=CC=C1C=CC=CC1=C2OCCC3)C(=O)C4=CC=C(O4)[N](=O)=O,FDWZHFNBQYNQCF-UHFFFAOYSA-N
+BBD3BA51B1FE1FAB_79176ED16DBC9FBE_6043_UN,CC1=C(C=NC(=C1N[S](=O)(=O)C2=CC(=CC=C2)OC3=CC=CC=C3)Cl)[N](=O)=O,OMBQGCXQJKBUCQ-UHFFFAOYSA-N
+C0D09DC74D86267C_458C743CBDFE3C2A_6038_DP,O=[N](=O)C1=CC(=CC=C1)SC(C2=CC=C3[N]2CCNC34COC4)=O,DVGPMOACUGBBFH-UHFFFAOYSA-N
+C24F00D8CA7B2804_18CAB1EA433A7927_6041_UN,O=[N](=O)C1=CC=C(S1)NC3=C(C=C2OCCCOC2=C3)S,LHVKNMNXKIHKBY-UHFFFAOYSA-N
+C24F00D8CA7B2804_2D7FD12E6F0638EF_6041_UN,O=[N](=O)C1=CC=C(S1)NC3=C(C=C2OCCCOC2=C3)S,LHVKNMNXKIHKBY-UHFFFAOYSA-N
+C24F00D8CA7B2804_C19E629512E1AFA9_6041_UN,O=[N](=O)C1=CC=C(S1)NC3=C(C=C2OCCCOC2=C3)S,LHVKNMNXKIHKBY-UHFFFAOYSA-N
+C4A01BCEB43A1D17_700CE8B795CA2F86_6041_UN,CC(C)CC1=CC(=C(C=C1)N[C@@]23[C@@H](CCC2)OCC3)F,JJDHRRXBZKWPLP-SJORKVTESA-N
+C4A01BCEB43A1D17_AAD2F7F850FE20F5_7022_UN,CC(C)CC1=CC(=C(C=C1)N[C@@]23[C@@H](CCC2)OCC3)F,JJDHRRXBZKWPLP-SJORKVTESA-N
+C4C9C59AE8E1C584_866801D7677D217C_6031_UN,O(C(=O)C1(CCC1)C2=CCNCC2)CC3=CC(=CC=C3)Cl,DOQOCBMQBFQLKM-UHFFFAOYSA-N
+C541EE6DDD5A41B8_4ECE375B36B083DC_6041_DP,CC1=C(C2=C([NH]1)C=CC=C2NCC3(CCCNC3)C)C,WQMKVYRUNMFLHF-UHFFFAOYSA-N
+CA13B82DFCF9E2A4_893A5AF6C1F485AB_6038_UN,N(CC1OCC[S](C1)(=O)=O)C(CC(C)C2=C[NH]C3=C2C=CC=C3)=O,QPMBSHFYPQTWFD-UHFFFAOYSA-N
+CA531382002BDCAF_4DF03E089E54814A_6038_DP,O(C2C1=C(C=CC=C1)OC3=C2C=CC=C3)C(C4CNNC(C4)=O)=O,YHVMOGBMUHOLQL-UHFFFAOYSA-N
+CB796D86961D688E_A98F00DEDBC70365_6034_UN,O=[N](=O)C2=C1C=CC(N(C1=CC=C2)CC3C4=C(OCCN3)C=CC=C4)=O,VOKJCPMXAHUAJR-UHFFFAOYSA-N
+CC0D8EA639C88650_9566950050EAE527_6041_DP,C[N]1C(=CN=C1C2CCCCN2)NC[C@@]3(CCCN3)C,UAFXTNJJOHSZFM-CVRLYYSRSA-N
+CC9F882AD66CA8FA_47C0E74BE1D5A32E_7015_UN,CCC3=C(N[S](=O)(=O)CC1=CSC=C1)C(=O)N(C2=CC=CC=C2)N3C,BQRDEADDKGSHEC-UHFFFAOYSA-N
+CEA2444639F21928_865429BE334624BE_7022_UN,CC(C)CC1=CC(=C(C=C1)OC3C2CCOC2C34CCC4)F,NQWWFBRQPJGRHT-UHFFFAOYSA-N
+CFBC08B93F2BD2B3_2F3081D3F9E7B673_7009_DP,NC1=CC(=CC=C1)[S](=O)(=O)NC(C(C)N3C(=C)C2=C(C=CC=C2)C3=O)=O,NPIRUSUUYIDJRD-UHFFFAOYSA-N
+CFF850652DB07519_7E5A67160C61062F_7022_UN,CC(C)CC1=CC(=C(C=C1)OC3C2CCOC2C34CCCCC4)F,DBORLVBSPXATCK-UHFFFAOYSA-N
+D0667D47C30C147D_B77B070B592BA01A_7019_UN,C(C2CC1OC1C2)=CC(C)=CC3=C(C=CC=C3)OC(F)F,HJAAKSOCXIODBJ-UHFFFAOYSA-N
+D153102860B975F8_E90DFF38D315A4A6_6038_UN,N(CC1OCC[S](C1)(=O)=O)C(=O)CC2=C[NH]C3=C2C=CC=C3,TXSBWQZZWKGDHK-UHFFFAOYSA-N
+D249957AA8B73198_A416E3977819AFBB_6034_UN,CC1=CN(C(=O)N1C2=CC=CC=C2)CC3C(CNCC3)(F)F,WMFCXPAXQVZUBS-UHFFFAOYSA-N
+D3E13780095BD12E_0AFE569F1F3864F5_6034_UN,CC1=C(C(=C(C(N1CC2CSCC(N2)C3=CC=CC=C3)=O)C)Br)C,LPBMTCMXEKXODG-UHFFFAOYSA-N
+D5E17494FB62A111_0B4E8973A5A8D455_6041_DP,OC(=O)[C@@H]1CC[C@H](N1)C2=CC=C(C=C2)NCC(C3CCNCC3)F,UAONCTJMFIBPDJ-BSOSBYQFSA-N
+D7477F57FA309EFE_53D4075C726BCEB2_6041_UN,O=[N](=O)C1=C(C=CC=C1)NC3=C(C=C2OCCOC2=C3)S,FGRSSKJKYTVKJL-UHFFFAOYSA-N
+D7477F57FA309EFE_658AB664BC21CE78_6041_UN,O=[N](=O)C1=C(C=CC=C1)NC3=C(C=C2OCCOC2=C3)S,FGRSSKJKYTVKJL-UHFFFAOYSA-N
+D7477F57FA309EFE_99C3CF698C91F337_6041_UN,O=[N](=O)C1=C(C=CC=C1)NC3=C(C=C2OCCOC2=C3)S,FGRSSKJKYTVKJL-UHFFFAOYSA-N
+DE1471DF2C1D49E9_096E8BAC96A8C526_7022_UN,CC(C)CC1=CC(=C(C=C1)OC3C2CCOC2C34CCCC4)F,JKFPIRQADWLTHK-UHFFFAOYSA-N
+DE224F90D065D283_1739B44D5298F31C_6031_UN,O(C(=O)C1(CC1)C2=CCNCC2)CC3=CC=C(C=C3)F,HYXBIDFTOQNYPB-UHFFFAOYSA-N
+E079E91C258BEE7B_5200BB86B43E6629_6041_UN,O=[N](=O)C2=C1[NH]N=CC1=C(C=C2)NCC3OCOCC3,FHLMEHKVOZJEGG-UHFFFAOYSA-N
+E1C58F3F96198A2B_8EF7E56B57202ED6_6038_DP,O(C(C=C)C1=C(C=CC=C1)F)C([C@H]2CO[C@H]3CNC[C@@H]23)=O,HVRJIKZMMILAEG-AHWDPPSRSA-N
+E22C69F73F98FC02_B1C137B84B8C1480_6029_UN,CN1C4=C(OC[C@@H](C1=O)N[S](C3=CC2=C(C=CC=C2)S3)(=O)=O)C=CC=C4,KWWFBBZBONRJLC-ZDUSSCGKSA-N
+E301A61D55F7B52F_31388ED5A5007559_6041_UN,CC(C)C1=C(C=C(C=C1)NC[C@@H]2CC[C@@H](O2)C3CC3)F,ZWMKTRPICUPWTG-WMLDXEAASA-N
+E44F0F180CEC4FBC_D72C061AD16CBF18_6026_UN,CC1=C(C(=CC(=C1)[N](=O)=O)C)[S](=O)(=O)N[S](=O)(=O)OC2=CC=CC=C2,YBTCVNGZIDAYOQ-UHFFFAOYSA-N
+E62E3609BAF97A6F_DBA4A329A43CE7ED_6038_DP,N3CC(=C(F)COC(=O)[C@@H]2C[C@H](CC1CCC1)CN2)C3,YMKQPINCSZWIBU-FZMZJTMJSA-N
+E7F83178C498775D_D689C2CC96B3F95A_6038_DP,C[C@@H](OC(=O)CC1COCC2=C1C=CC=C2)C3CNC3,ALKRRWBVGORDRS-JTDNENJMSA-N
+EB7834CDC703AE7F_479B3CC1A8D4663D_6039_UN,C[C@@H](OCC2CC1OCCC1O2)C3=C(C=CC(=C3)F)C,WMVNXTKYPLYWDN-SOHQLFRFSA-N
+ED97C3A802DC2828_981235C117EBE73D_7022_UN,CC(C)CC1=CC(=C(C=C1)OC3CCC2COCCC2C3)F,LGVZMCQJOOGZGA-UHFFFAOYSA-N
+F21FA400B4A7ED2C_E37FD2C416AF92B9_6041_DP,C[N]1C(=CN=C1C2CCCCN2)NCC3(CCCN3)C,UAFXTNJJOHSZFM-UHFFFAOYSA-N
+F28D84B6A327F850_B7FC5A5E064CF4CA_6034_UN,CC1=C(C=C(C(N1CC2CSCC(N2)C3=CC=CC=C3)=O)Br)N,SVAJITSOBARUBJ-UHFFFAOYSA-N
+F4731C3257093761_F03AEE49C958A58D_6029_UN,CC2N(C1=C(C=CC=C1)C2C)[S](C4=CC=C(OCC3=CC=C([N](=O)=O)C=C3)C=C4)(=O)=O,NQAXCTCHXOXOBN-UHFFFAOYSA-N
+F4C36992E86D5B09_C01A4F802A829701_6041_UN,O=[N](=O)C2=C(C=C1OCOC1=C2)NC4=C(C=C3OCCOC3=C4)S,UNRWPFDUXICATC-UHFFFAOYSA-N
+F59A7CF5BDA64741_BE4A2F12742C0439_6039_UN,C[C@H](OCC2CC1OCCC1O2)C3=C(C=CC(=C3)F)C,WMVNXTKYPLYWDN-VHBBEVCXSA-N
+F78ADE7815DC0AA6_C1A9607A425A8622_6038_DP,N3CCOCC(CNC(=O)C(=O)C1=C[NH]C2=C1C=CC(=C2)F)C3,VNVIZYODESTFLT-UHFFFAOYSA-N
+F8F135674EB1DC92_FF00BF27D7577696_6041_DP,C[Si](C)(C)C1=C(C=CC=C1)NC[C@@H]2CN[C@@H]3CCCC[C@H]23,YHPBQDCTWPBCEO-ARFHVFGLSA-N
+F9EF4BFC6B3F73B8_749966344357ADD7_7009_UN,N([S](=O)(=O)C1(CC=C)CC1)C(C[N]2C3=C(C=C2C)C=CC=C3)=O,AJCOOJGOWOASHX-UHFFFAOYSA-N
+FAE5E490C57BB201_517034D93506DF2A_7009_UN,N([S](=O)(=O)C2(CC1=CC=CC=C1)CC2)C(=O)CC(C3=CC=CS3)[N]4C=CC=C4,RRNXYCAJQQCQSP-UHFFFAOYSA-N
+FC982C9D5929C4B9_A4714582A77A22BD_6004_UN,O=[N](=O)C1=C(C=CC(=C1)C3=C2OCCCC2=CC=C3)S,HQICVRNZNLFLII-UHFFFAOYSA-N
+FE153134155E56D3_C8981927FCBEA6F4_6041_UN,CC1=C(C2=C([NH]1)C=CC=C2NCC(C)C3CCCC3)C,BKNRDAVEJNWZKW-UHFFFAOYSA-N
+FF13E5ECA31AA0F0_077264FF88A18816_6041_UN,C[N]1N=C(C=C1NC(CC)C2CC2(C)C)C3CCCC3,ZGIPOJIOIBXEJI-UHFFFAOYSA-N
+FF42625CEE5F0B77_1F401AC860075474_6038_UN,N(CC1=CC(=CC=C1)N2CC=CC2)C(=O)C3COC4=C3C=C(C=C4)[N](=O)=O,UDKGUWLBZYHFHS-UHFFFAOYSA-N