Added 263 molecules from epoch 17025 for B1WC68
Browse files- B1WC68_molecules.csv +263 -0
B1WC68_molecules.csv
CHANGED
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@@ -32754,3 +32754,266 @@ rxn:2:102040:144460,CCC(NC1CCN(c2n[nH]c(=O)[nH]c2=O)C1)c1cccc(C2C(CSC(C)=O)C2(F)
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| 32754 |
rxn:2:104232:141967,CC1(C)C(C[Si](C)(C)C)CC1NCC(c1ccccc1)C1CCCCC1,YMQMTXXDJCCXKF-UHFFFAOYSA-N
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| 32755 |
rxn:2:111494:148296,CCC1(OC)CCC(NC2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)CC1,WFOYKXJRLDEHPS-UHFFFAOYSA-N
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| 32756 |
rxn:2:115446:84154,CCOC1CN(c2ccc(NC(C)c3ccc(N4CCN(C)CC4)cc3)cn2)CC1OC,ROMDDPGQNHAYRR-UHFFFAOYSA-N
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| 32754 |
rxn:2:104232:141967,CC1(C)C(C[Si](C)(C)C)CC1NCC(c1ccccc1)C1CCCCC1,YMQMTXXDJCCXKF-UHFFFAOYSA-N
|
| 32755 |
rxn:2:111494:148296,CCC1(OC)CCC(NC2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)CC1,WFOYKXJRLDEHPS-UHFFFAOYSA-N
|
| 32756 |
rxn:2:115446:84154,CCOC1CN(c2ccc(NC(C)c3ccc(N4CCN(C)CC4)cc3)cn2)CC1OC,ROMDDPGQNHAYRR-UHFFFAOYSA-N
|
| 32757 |
+
0156E6ABFD83ADD5_ED32F0E0781BA59A_6038_UN,O(C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)O)C(=O)C3=C(C(=CC=C3)F)C4CC4,VTVLKIOLFQPUED-UHFFFAOYSA-N
|
| 32758 |
+
023CDABEF4B467EE_448D2BCCFCABEFBE_6028_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C3=NN=C(N2CCOCC2)[N]3CC4=CC=CO4)(=O)=O,KJCAKTFSVBUOPV-UHFFFAOYSA-N
|
| 32759 |
+
02D42D0E93E9034E_2EC4350B4BBE5721_6038_UN,C[N]1C=C(CC(NC(C(CN(C)C)=C)=O)C(=O)N)N=N1,NJJDKSJTIZKVJZ-UHFFFAOYSA-N
|
| 32760 |
+
02D60DBBD2CADFD4_9DEDBCCB6E1770E3_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NC(=CC(C(C)(C)C)=O)C3=CC=CO3,JYYNMQYLKVEDRW-UHFFFAOYSA-N
|
| 32761 |
+
03D2BBAA28C13462_7AEF1CBAA0551E98_6038_UN,COC1=C(C=C(C=C1)CCNC(C3=C(N(C)C2=NN=N[N]2C3)C)=O)[N](=O)=O,NLCQUSSAFPGBMC-UHFFFAOYSA-N
|
| 32762 |
+
042308221E4FB70D_47F1E9F4D4396966_6041_UN,O=[N](=O)C1=CC3=C(C(=C1)NC2=C(CC)[N](N=C2)CC(C)C)[NH]N=C3,AOJVQJHVEDAADD-UHFFFAOYSA-N
|
| 32763 |
+
05AB7F3FDD9B8DF5_305BD7F703D5DAF2_6035_UN,O(C1(COC1)C2=CC=C(C=C2)Br)C3=C(C(=CC(=C3)Cl)Cl)[S](=O)(=O)Cl,JJLXPHYIEMROBB-UHFFFAOYSA-N
|
| 32764 |
+
05C23894A38616E6_04168A2706F6901A_6041_UN,C2(=N[N]1C=CC=CC1=N2)NCC4=CC=C([S](N3CCCC(C)C3)(=O)=O)C=C4,MABQGRFDUXAFTB-UHFFFAOYSA-N
|
| 32765 |
+
05D345F9863800BB_58D20F9224F10548_6031_UN,CC1=C(C(NC(N1)=O)=O)CCC(=O)OCC[Si](C)(C)C,DFNSOJAOHVXNJN-UHFFFAOYSA-N
|
| 32766 |
+
0659EA9407CDA1BC_B12E0452B8508729_6028_UN,N([C@H]1[C@@H](C1)C2=CC(=C(C=C2)Br)F)[S](C3=CC=C(C=C3)OC4CC4)(=O)=O,GEQNPRDYLOMXLD-MAUKXSAKSA-N
|
| 32767 |
+
0788449B25BB01FE_22DA37F60FF1D7AA_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=C(C)C=NS5)(=O)=O,BVWMADDYBUCGFN-UHFFFAOYSA-N
|
| 32768 |
+
07A0F8CEF6888ACF_0AD4825E40642F8E_6041_UN,CC(=O)OC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)C(=O)N4CCOCC4)F,SAVQONLXAQJQKR-UHFFFAOYSA-N
|
| 32769 |
+
08152736FDBDC8F4_796F1A779EC49814_6028_UN,N(C2=C(CC1=C(C=CC=C1)O2)C#N)[S](C4=NN=C(C3=C(F)C=CC=C3)[N]4C5CCCCC5)(=O)=O,OVTJGAVDUZHMGJ-UHFFFAOYSA-N
|
| 32770 |
+
084ECDE074B601B5_E6745A868B928EF1_6038_UN,CC(C)N1C(=NCC1)CNC(C=C(C)C2=CC=CS2)=O,YQGQRGFNEXUHCY-UHFFFAOYSA-N
|
| 32771 |
+
099B55EEFCE84FE1_139F3BBBAEDD19CE_6028_UN,CC1(ON=C(C1)C2CN(C2)[S](C3=NN=N[N]3C4=CC5=C(C=C4)OCO5)(=O)=O)C,WVRJJOWZUAHSTJ-UHFFFAOYSA-N
|
| 32772 |
+
09DD334690B6F959_FC8F56A180836FC4_6029_UN,N([C@@H]1C[C@H](C1)C2=CC(=CC=C2)OC(F)(F)F)[S](C3=CC=C(F)C=C3)(=O)=O,REUVZVREXRXDFG-MQMHXKEQSA-N
|
| 32773 |
+
0B8AD0C02F4FE3F8_8BE5C4E6F692ABF5_2267_DP,OC(=O)C2=CC=C(C#CC(B1OC(CN(C)CC(O1)=O)=O)=C)S2,RTWOLCPVXUACFL-UHFFFAOYSA-N
|
| 32774 |
+
0C90ECF11FF6FADB_AF762DC66C276B7C_6038_UN,CC1=C(C=C(C=C1)C3=NC2=C(C=CC=C2)S3)NC(=O)[C@@H]4C[C@@H]4C#N,CVTAGOWZUZZQMK-ZIAGYGMSSA-N
|
| 32775 |
+
0E4F238B46037EC0_F8E02F2A845B59F0_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=CC(=C(C(=C2)F)Br)F,VVGKHELNDFCLGU-UHFFFAOYSA-N
|
| 32776 |
+
0E730B97FB0F2A70_218914308F7DAC29_7019_UN,F[S](=O)(=O)OC1=CC=C(C=C1)C=CC2=CC=CC(=C2)OC3=CC=CC(=C3)Cl,UTJPKXYWWXESRW-UHFFFAOYSA-N
|
| 32777 |
+
0E7F07B95744F3E0_940A463A7212A734_6038_UN,N(C1=CC=C(C=C1)CN2C(=O)CCCC2=O)C(C=CC3=C(C)C=NC=C3)=O,IJTABFXSIKYEEJ-UHFFFAOYSA-N
|
| 32778 |
+
0FB8FB8EF6A508B7_3D43CC0BC24FB26C_6038_UN,N(CC1=CC=C(C=C1)N2CCCCC2=O)C(C3=C(C)[N](C(=C3)C)C4=NC=CC=N4)=O,IZWZDBVLMCVZHL-UHFFFAOYSA-N
|
| 32779 |
+
13D7DB1D7CEE02AF_169E91D660B7589F_6029_UN,N(C(CC1CC1)C2=CC=CC=C2)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,SUCHFCYTFVQKGP-UHFFFAOYSA-N
|
| 32780 |
+
14886B01F1EE0006_317CEB8A74149252_6041_UN,O=[N](=O)C1=C(N=C[NH]1)N[C@H](C(N(OC)C)=O)CCSC,NUSZXRWYFQOAML-ZETCQYMHSA-N
|
| 32781 |
+
15620BBE81BAF8A0_E6D3F84C96F12F1A_6029_UN,N([C@H]1[C@@H](C1)C2=C(C=CC=C2Cl)Cl)[S](C4=CC=C(C3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,KBPNVGYSVQNDAR-YLJYHZDGSA-N
|
| 32782 |
+
16E45ECA9AC496DE_4FCA566F3CC0965F_6038_UN,N(CC1=C(C=CC(=C1)C2CC2)F)C(C4=CC=C(C3=CN=N[N]3C)C=C4)=O,JWEGNSVEDYTKSL-UHFFFAOYSA-N
|
| 32783 |
+
1834771F85146935_968F11307DEFB294_6033_UN,O(C(=O)CC1=CC(=O)NC(=O)N1)CC(C(OC)=O)=CC2=CC(=C(C=C2)F)F,HVDPDZIDAUHGML-UHFFFAOYSA-N
|
| 32784 |
+
187411F7A066F618_D8C518ACEE04479D_6041_UN,O=[N](=O)C1=CC(=CC=C1)C2=N[NH]C(=N2)NCCC[Si](C)(C)C,DISLYOPOBVGYCS-UHFFFAOYSA-N
|
| 32785 |
+
188885F666A16302_913DC7E6310EF2FB_6038_DP,O(C1=CC(=O)OC2=C1C=C(C=C2)F)C(C=C3CNC3)=O,BKTZYKMCYAMRGF-UHFFFAOYSA-N
|
| 32786 |
+
1A76E1BCB8CD094F_8C75DFEE16015DDF_6035_UN,CC(OC2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)O)CC3=CC(=C(C=C3)Br)F,OWZCSDMATMFKEI-UHFFFAOYSA-N
|
| 32787 |
+
1D8290CC2645B16C_63B8ADEC9F004AE3_6035_UN,O(C(C1CC1)C2=C(C=C(C(=C2)F)Br)F)C3=C(C=CC=C3)[S](=O)(=O)Cl,UCTYVXBSZDVLDT-UHFFFAOYSA-N
|
| 32788 |
+
2055BADE8C900FED_0AB6E8A06E0D369D_6038_UN,NC(=O)C1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C=CC=N3)N4CCCCC4,VGBONJGKVYSEAB-UHFFFAOYSA-N
|
| 32789 |
+
20E96F122EE4D66E_9F8B5585F047091B_6029_UN,N(CC1C(CC1)C2=CC=CC=C2)[S](C4=CC=C(OC3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,FFNKEDWLXALWJN-UHFFFAOYSA-N
|
| 32790 |
+
2380182D6E987E0A_9D5F6AA2CE3D0FA2_6038_UN,CCC1(COC(C(CN(C)C)=C)=O)C(=O)NC(=O)NC1=O,PBPKGAKNLGMFPK-UHFFFAOYSA-N
|
| 32791 |
+
239EF941AE5FBB9A_17AB0D1806688391_6038_UN,N(CCN1C(C(SC1=O)=CC2=CC3=C(C=C2)OCO3)=O)C(C4(C(N(C(C)C)C)=O)CC4)=O,VDYSIAFREUUTJN-UHFFFAOYSA-N
|
| 32792 |
+
250D58C90D9F18F6_21CCF7C6D60069D0_6029_UN,N(C(CC1=CC=CC=C1)C2=CC=CC=C2)[S](C4=C([C@@H]3C[C@H]3[S](Cl)(=O)=O)C=CC=C4)(=O)=O,GPNHQNYLBZJXBV-AXUWQRLWSA-N
|
| 32793 |
+
257AF7C6DFD7C6B7_41A432FE42DCBE66_6038_DP,CC1=C(C=C(C=C1)C3=NC2=C(C=CC=C2)S3)NC([C@H]4CCN4)=O,AOPOXEDWWFJRBU-CQSZACIVSA-N
|
| 32794 |
+
261495C272745BED_78EDFDBA37AAC2BE_6038_DP,CC1=C(C(C3=C(O1)C=C(OC(C2(C(O)=O)CC2)=O)C=C3)=O)C4=CC=CC=C4,WJRQUMJXQSYKLD-UHFFFAOYSA-N
|
| 32795 |
+
2750B877FE445EA6_B268A6BE28522409_6038_UN,NC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=CN=C(N=C3)C4=CC=CC=C4,CXBDENKIUGMRFU-UHFFFAOYSA-N
|
| 32796 |
+
277D371EB0EE0E87_F8C9C5D8ABFD4F92_6034_UN,C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=C[N](N=C3)CC4=CC=C(C=C4)Br,LLXBJMQBTJTEPZ-UHFFFAOYSA-N
|
| 32797 |
+
27D8FAFB59AE433E_60DE3479D56CB18E_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)I)NC2=C(CC(=O)N2C3=CC=CC=C3)C#N,OTLYLFHEIDWRPC-UHFFFAOYSA-N
|
| 32798 |
+
27D989276176B1FF_9D11C3776B415F8D_6038_UN,N(C1=C(C=CC=C1)N2CCCC2=O)C(C3=N[NH]C(=C3C)C4=CC=CC=C4)=O,RDCSGLRQVVJICQ-UHFFFAOYSA-N
|
| 32799 |
+
291F289A03C9280C_A85B994A46606FC5_6038_UN,O(C1=C(C=CC=C1)N2CCCC2=O)C(C3=CC(=C(C)C=C3)OC4=CC=NC=C4)=O,VFVHLTDHGRNNAQ-UHFFFAOYSA-N
|
| 32800 |
+
2941AAC8ED43893A_53A99F61F9A55395_6038_UN,O(C2=C1C=C(C(=CC1=NC=C2)Cl)Br)C(=O)C3=CC(=CC=C3)N4CCOCC4=O,QWJGLYGZPWDGLI-UHFFFAOYSA-N
|
| 32801 |
+
2A1B11C578116287_134E776FFA71AC63_6029_UN,N(C[C@@]1(C[C@@H](C1)O)C2=CC=CC=C2)[S](C3=CC=C(CC(F)F)C=C3)(=O)=O,JHNCCURLYLQNPM-RUCARUNLSA-N
|
| 32802 |
+
2ACAA340D7C5884F_1A732A3AD086412A_6041_DP,CC(C)C1=NC(=NC(=N1)NCCCCC(C(NN)=O)(C)C)N(C)C,BDKUURYDKKJWEP-UHFFFAOYSA-N
|
| 32803 |
+
2AF788595275739A_511B2AC64BA658F0_6038_DP,CC4(CNC(C2ON=C(C1CNC1)C2)=O)COC3=C(C=CC=C3)O4,PZEBORQOERMBTK-UHFFFAOYSA-N
|
| 32804 |
+
2E9A8B42BA2AAFFB_CF230CDB9BA51BDC_6029_UN,CCCCC(C)(N[S](C1=C([S](Cl)(=O)=O)OC=C1)(=O)=O)C(=O)O,PJZOPKMIZQFPQW-UHFFFAOYSA-N
|
| 32805 |
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2F2D34BAA92A1A31_581FB8C7BFA468A6_6038_UN,N(CCN1C(C(SC1=O)=CC2=CC3=C(C=C2)OCO3)=O)C(C4(CC(C)=O)CC4)=O,JZWZQFUVBKCUMO-UHFFFAOYSA-N
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D592AA9BA152C252_C460899510A142F6_6041_DP,CC(C)CC(=O)C1=CC=C(C=C1)NC3=C(N2CCNCC2=O)C=CC=C3,AEILIIPFVDRWHT-UHFFFAOYSA-N
|
| 32960 |
+
D713D1C8CF3044CC_CC30E5F6C7D3868B_6029_UN,N(C1=C(C=C(C=C1)F)OC2CCOCC2)[S](C4=CC3=C(O)N=CN=C3C=C4F)(=O)=O,OPVMXCXLQQIFAB-UHFFFAOYSA-N
|
| 32961 |
+
D755D635A2C456CD_B32442F8C07F03BA_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=CC=C(C=C2)[S](=O)(=O)Cl,ILEVEAKFLVNUHI-UHFFFAOYSA-N
|
| 32962 |
+
DA7672EC8F2EC1A6_CFE54A05FD6208DC_6038_UN,CN1CCN(C1=O)C2=CC(=CC=C2)NC(CCC(CC)C)=O,XMGAVAKNNLOEOI-UHFFFAOYSA-N
|
| 32963 |
+
DBB0BF7913459A0F_F4997331F16AD131_6026_UN,O=[N](=O)C1=CN=C(C=C1)[S](=O)(=O)N5CCN(C3=NC2=C(C=C(Cl)C=C2)C(=N3)C4=CC=CC=C4)CC5,OZYZYIPZQCCZMH-UHFFFAOYSA-N
|
| 32964 |
+
DCA728F04F9D1546_D6DA162B52F0B47B_6041_UN,CC(=O)OC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3C)N4CCN(C(C)=O)C4=O,KSVYJRFAZARCPD-UHFFFAOYSA-N
|
| 32965 |
+
DD7A9C9E9B8BA734_FC55910529635B82_6038_UN,N(C1=CC(=C(C(=C1)F)N2CCCCC2)F)C(C3=N[NH]C(=C3)C(C)C4=CC=CC=C4)=O,NWIPNCHAUOWAMI-UHFFFAOYSA-N
|
| 32966 |
+
DE2589BC9B25D6FD_38D63B93B709DAB5_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CCCCC2)NC3(CC3)CC4=CC=CC=C4,QBIZETRTHMLHKK-UHFFFAOYSA-N
|
| 32967 |
+
DF1D1180DC6EEA48_874D4FE3BB272FB7_6038_UN,NC(=O)C1=C(C=CC=C1)NC(=O)C2=C(C3=C(N=C2)C=CC=C3)N4CCCC4,GZNKIDWYQGCWQD-UHFFFAOYSA-N
|
| 32968 |
+
E31416D820350E52_31AC59D124FBD73F_6038_UN,CN2CCC(C)(COC(C1=C(CCN(C)C)C=CC=C1)=O)C2=O,JSUKZQWZDLWDQA-UHFFFAOYSA-N
|
| 32969 |
+
E4022F0FB50E640D_625CB2398C0563D1_6035_UN,O(C1(CCC1)C2=C(C=CC=C2)Cl)C3=C(C=C(C=C3Br)Br)[S](=O)(=O)Cl,HFZJHTYBGSRHAN-UHFFFAOYSA-N
|
| 32970 |
+
E4326A6A4172EED5_88BC52EFFB04ECF5_6029_UN,OC1(CN(C1)[S](C3=C([S](Cl)(=O)=O)C=C2OCCCOC2=C3)(=O)=O)C4=NC=CC=C4,RJBUALPSDJXORB-UHFFFAOYSA-N
|
| 32971 |
+
E45446943CF07E38_359BD2A8FDB5DE39_6031_UN,O(C(=O)C1CN(C(=O)C1)C2=CC(=CC(=C2)Cl)Cl)CC3=C([S](C)(=O)=O)C=CC=C3,IAEMYNDNKCCVCI-UHFFFAOYSA-N
|
| 32972 |
+
E5DC8CE185339413_64CF852099AEF2EC_6026_DP,N5CCCC1=C(C=CC(=C1)[S](=O)(=O)N2C(SC=C2C3=CC=C(F)C=C3)=C4N=NC=N4)C5,VJMRGIUFEJSSNM-UHFFFAOYSA-N
|
| 32973 |
+
E7132A72908E7AD6_27DEDA3F4B2A9B85_6038_UN,CN1C(C(N(C1=O)CCCNC([C@]2(C[C@H](C(OCC)=O)C2)F)=O)=O)=O,YFQGMQKFXQGJQI-DXPFQBAHSA-N
|
| 32974 |
+
E7917AAFEB30C17A_705EA053DF856C52_6038_UN,N(C1=CC(=C(C=C1)F)N2CCCC2=O)C(C3=N[NH]C(=C3)C4=C(C=C(C)C=C4)C)=O,JOSKXMLJVMLLCX-UHFFFAOYSA-N
|
| 32975 |
+
E8451DACC92509F6_43AFA7565349CDCA_6035_UN,O(C1(CCC1)C2=C(C=CC=C2)F)C3=C(C=C(C=C3Br)Br)[S](=O)(=O)Cl,FCUTUJJMWUHZAF-UHFFFAOYSA-N
|
| 32976 |
+
E8CE1376248A24E2_052B6329C996532F_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=CN=C(I)[NH]5)(=O)=O,RFSJUINECPGOQZ-UHFFFAOYSA-N
|
| 32977 |
+
E974D8AC00036596_902F060B19804B23_6038_UN,CC(C)(C)C1=NN=C(CNC(C(CCN(C)C)=C)=O)S1,YYETVGMXQURESN-UHFFFAOYSA-N
|
| 32978 |
+
EA0124A887566C2D_F4893889388D9859_6028_UN,ON(CC=C[P](=O)(O)O)[S](C1=NN=N[N]1C2=CC=C(CCCC)C=C2)(=O)=O,CMQSCJNHXUBZJU-UHFFFAOYSA-N
|
| 32979 |
+
EB01D500DA5DD893_079DCD9CCE7AA554_6028_UN,N(C2=C1COB(C1=CC=C2)O)[S](C4=NN=C(COC3=C(C=CC=C3)Cl)[N]4C5CC5)(=O)=O,MKEFGNRGVWCLKN-UHFFFAOYSA-N
|
| 32980 |
+
EBF7708D529D9FA9_1997F60C4AF57335_6041_UN,COC(=O)C1=N[NH]C(=C1NC2=C(C(N(CCC)C(C)C)=O)C=CC=C2)C,NEFWNGHHTBSGSD-UHFFFAOYSA-N
|
| 32981 |
+
EC91A945DA091A4C_1E44C18ED4FE9179_6035_UN,C[Si](C)(C)C#CCOC1=CC=C(C=C1)C2=NC3=C(N=C2)C=CC=C3,KFRBOISVUPPGSN-UHFFFAOYSA-N
|
| 32982 |
+
ECBFB2DBD82546FA_93F46455F3C8376A_6038_DP,CCCCOC(=O)C(NC(CC(C(O)=O)=C)=O)CC1=CSC=C1,KYJYYKQFTFXQAL-UHFFFAOYSA-N
|
| 32983 |
+
EF632A8BE0C0C342_EF82998A0B328113_6038_UN,O(C(CF)C1=CC=C(C=C1)C#N)C(C(C(CC)C)C)=O,MZTVWKBWGXDOJD-UHFFFAOYSA-N
|
| 32984 |
+
F151D5ACE06DBFEC_CF87A5B4EE639DEA_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=NC=C(C=C5)C6CC6)(=O)=O,YWZVKRMNPGZJQM-UHFFFAOYSA-N
|
| 32985 |
+
F20E7FBE5BCC7400_BFE07A94D4EB1585_6028_UN,N([C@H]1[C@@H](C1)C2=C(C=CC=C2F)F)[S](C3=C(C=CC=C3Cl)Cl)(=O)=O,TUNVSVGJCFOEFM-AMIZOPFISA-N
|
| 32986 |
+
F29E2327858D2672_E675B7CB51F04145_6029_UN,N(C(CC1CC1)C2=CC=CC=C2)[S](C4=CC=C(OC3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,MRHQGIQINQHKPH-UHFFFAOYSA-N
|
| 32987 |
+
F35166C49D59D9FE_0B0F80460B9B59F0_6035_UN,O(C(CC1=CC=CC=C1)[S](=O)(=O)O)C2=CC(=C(C=C2)Br)OC(F)(F)F,FLTQTLZFWVYOKR-UHFFFAOYSA-N
|
| 32988 |
+
F48E7B8672751295_682CBF1A450DBA2B_6039_UN,CCOC(=O)N(C)CCOCCC(NC1=C(C(N)=O)C=CS1)=O,FIZZXMKSQZDWJC-UHFFFAOYSA-N
|
| 32989 |
+
F52351A751F0801D_0C179AD96052BB97_6038_UN,CCN(C)C1=C(C=C(C=C1)CNC(CCC2(C)N=N2)=O)F,KKORJYDBJAAKLE-UHFFFAOYSA-N
|
| 32990 |
+
F57B46DE77B1D021_E50E358C94D4A3B9_6038_DP,CN1CC(=O)OB(OC(=O)C1)C2=CC=C(C=C2)OC(C3=N[NH]C4=C3CNC4(C)C)=O,RBMXEHSYDMRWDW-UHFFFAOYSA-N
|
| 32991 |
+
F5A399FAF553A768_B1FB492E6946BABE_6038_UN,N(C1=C(C=C(C=C1)C2CC2)F)C(C3=N[NH]C(=C3C)C4=CC=CC=C4)=O,NGLXVVUGOFLFIX-UHFFFAOYSA-N
|
| 32992 |
+
F65AC0D0A4BBBBB5_E881B488E8A6EED0_6035_UN,CC(OC1=C(C#C[Si](C)(C)C)C=CC=C1)CC3=NC2=C(C=CC=C2)S3,XXYUWHCTBOMERK-UHFFFAOYSA-N
|
| 32993 |
+
F8E4A84971759A97_9BDF58D8F7148D36_6029_UN,CC1=C(C=CC=C1)C2(CC2)N[S](C4=CC=C(OC3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,VSIBYQJIRGIMFI-UHFFFAOYSA-N
|
| 32994 |
+
F9B6F40DBDA43F70_B1936156C608C79A_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=NC(=NC=C5)C6CCC6)(=O)=O,TUEPCMYRJVGTIG-UHFFFAOYSA-N
|
| 32995 |
+
F9E68D4A99F59F1A_07BD844E0D72D38F_6029_UN,N(C1C(CCCC1)C2=CC=CC=C2)[S](C4=CC=C(OC3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,DAQJGOFHRLVFJE-UHFFFAOYSA-N
|
| 32996 |
+
FC0F68F86A494A31_DFA63F7BA58ECAF0_6038_UN,CCC(CC)C(CNC(CC1=NN=C(N)[NH]1)=O)N(C)C,YBCYEISMLLBMKM-UHFFFAOYSA-N
|
| 32997 |
+
FD3F643FD6CCFCEE_0CA4401CF5E6577B_6041_UN,O=[N](=O)C1=C[NH]C(=N1)N[C@H](C(N(OC)C)=O)CCSC,JWJRGDJCXANWMD-ZETCQYMHSA-N
|
| 32998 |
+
FD3F643FD6CCFCEE_D853A65AABD346C8_6041_UN,O=[N](=O)C1=C[NH]C(=N1)N[C@H](C(N(OC)C)=O)CCSC,JWJRGDJCXANWMD-ZETCQYMHSA-N
|
| 32999 |
+
FE20C061604112DB_1F22CC09540F0360_6038_UN,CCN1CCN(CC1)C(=O)CC2=CC=C(C=C2)NC(C=C(C(C)C)C)=O,SCBDPROKFBFRTK-UHFFFAOYSA-N
|
| 33000 |
+
FF5DE1157D89FF0D_5105A857FA527BF2_6029_UN,CN1CCN(CC1)C4=C2C=CC=CC2=NC3=C(C=C(C=C3)Cl)N4[S](C5=N[NH]C=C5C)(=O)=O,PYRYWZGCHLPQNO-UHFFFAOYSA-N
|
| 33001 |
+
rxn:1:40223:39424,COc1cccnc1C=CCn1cc(CN2C(=O)SC(=Cc3cc([N+](=O)[O-])cc(OC)c3O)C2=O)nn1,RVXLATXMMOGHLX-UHFFFAOYSA-N
|
| 33002 |
+
rxn:1:40988:39258,CNC(=O)c1ccc(C=CCn2cc(CN3C(=O)SC(=Cc4ccc(C(=O)OC)cc4)C3=O)nn2)cc1,LSOLJYOQFCKZQH-UHFFFAOYSA-N
|
| 33003 |
+
rxn:1:41106:11166,COc1cc(C=CCn2cc(CN3C(=O)SC(=Cc4ccc(N(C)C)cc4)C3=O)nn2)cc(C(=O)O)c1,SWHAGWLBPMFUHT-UHFFFAOYSA-N
|
| 33004 |
+
rxn:1:41857:39258,COC(=O)c1ccc(C=C2SC(=O)N(Cc3cn(CC(=O)Nc4ccc(OC)c(Cl)c4)nn3)C2=O)cc1,KOERZWABBCZCLZ-UHFFFAOYSA-N
|
| 33005 |
+
rxn:1:42599:1307,CCCC1(Cn2cc(CN3C(=O)SC(=Cc4ccc(OC(C)C)cc4)C3=O)nn2)CCNC1=O,KTXZPANEYAOHKN-UHFFFAOYSA-N
|
| 33006 |
+
rxn:1:46080:10795,COc1ccc(OC)c(C=C2SC(=O)N(Cc3cn(CCC=Cc4ccc(C(C)=O)nc4)nn3)C2=O)c1,FGOTVLSUMSERJF-UHFFFAOYSA-N
|
| 33007 |
+
rxn:1:49398:1307,CC(C)Oc1ccc(C=C2SC(=O)N(Cc3cn(CC4CC(C)(C)C(=O)O4)nn3)C2=O)cc1,NFAGKLMAJJLDTG-UHFFFAOYSA-N
|
| 33008 |
+
rxn:1:49477:5652,Cc1cc(C)cc(S(=O)(=O)N2CCC(n3cc(C4(Oc5cccc([N+](=O)[O-])c5)CCCCC4)nn3)CC2)c1,UWKOLUSMMMOUAJ-UHFFFAOYSA-N
|
| 33009 |
+
rxn:1:50435:4719,CC1Oc2ccc(C(=O)CCc3cn(CC4C(c5cccc(C(=O)O)n5)C4(F)F)nn3)cc2N(C)C1=O,XBZUYXGFTKVHBM-UHFFFAOYSA-N
|
| 33010 |
+
rxn:1:50917:32371,CC(=O)Nc1cccc(C2C(Cn3cc(C(C)N4CCCN(C(C)=O)CC4)nn3)C2(F)F)c1,ZOCORPQOGPLXPL-UHFFFAOYSA-N
|
| 33011 |
+
rxn:1:61211:10361,CN1CCN(c2ccc3[nH]c(C(=O)NCc4cn(C5CN(C(=O)Cc6ccccc6Cl)C5)nn4)cc(=O)c3c2)CC1,DHOZCPBBGQRHIX-UHFFFAOYSA-N
|
| 33012 |
+
rxn:1:61477:39424,COc1ccc(N2CCN(C(=O)Cn3cc(CN4C(=O)SC(=Cc5cc([N+](=O)[O-])cc(OC)c5O)C4=O)nn3)CC2)cc1,WTMFXZNRMNUMOQ-UHFFFAOYSA-N
|
| 33013 |
+
rxn:1:61978:33381,COc1ccc(C=C2SC(=O)N(Cc3cn(-c4ccc(C(=O)N5CCOCC5)cc4)nn3)C2=O)cc1I,UCDXZYOXXUSQDP-UHFFFAOYSA-N
|
| 33014 |
+
rxn:1:62961:29386,CCN1CCN(C(=O)c2ccccc2-c2cn(CC3CC(=O)N(c4ccc(F)cc4C(C)=O)C3)nn2)CC1,PFUXDYWAKFVMJS-UHFFFAOYSA-N
|
| 33015 |
+
rxn:1:64710:24965,CCNC(=O)c1ccc(C)c(N2CC(c3cn(CC4CC(=O)N(c5ccc(Cl)nc5)C4)nn3)CC2=O)c1,OXMFFCNSPKDBKB-UHFFFAOYSA-N
|
| 33016 |
+
rxn:2:122527:160422,CC(NC1CCN(c2ccc(S(C)(=O)=O)cc2)CC1)c1ccc(N2CCCCCC2)cc1,HFTGSJVSIAUEMQ-UHFFFAOYSA-N
|
| 33017 |
+
rxn:2:80372:155159,Cc1ccc(N2CCN(C)CC2)c(NC(CC2=NCCO2)c2ccc(S(C)(=O)=O)cc2)c1,GLYULZSULCMSLH-UHFFFAOYSA-N
|
| 33018 |
+
rxn:2:81598:142505,CC(=O)c1ccc(C2C(CCSC(C)Nc3cn(CC(C)C)c(=O)[nH]c3=O)C2(F)F)nc1,RPZIHTBKIWLYQH-UHFFFAOYSA-N
|
| 33019 |
+
rxn:2:87783:124940,CC(C)N1CCC(NC2COc3ccc(S(C)(=O)=O)cc32)CC1c1ccc2c(c1)OCO2,XVZUGFYYGJNHIA-UHFFFAOYSA-N
|