Added 309 molecules from epoch 16730 for P31645
Browse files- P31645_molecules.csv +309 -0
P31645_molecules.csv
CHANGED
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@@ -37680,3 +37680,312 @@ rxn:2:89164:127013,CCC1CCC(NCCN(C)C[C@@H]2CCCN2C)C1C,DOFMIZOLIAMJMV-PYCMUAIMSA-N
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| 37680 |
rxn:2:90333:131822,CCN1CCCC(ONC2CCCC2CCC2=NC(C)(C)CC(C)O2)C1,LZAUAYYHJMDWKT-UHFFFAOYSA-N
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| 37681 |
rxn:2:91482:110670,CC(C)c1nn(C2CCCN(C)C2)cc1CNC1CCC2SCCSC12,UUPGEHQNAGCEHV-UHFFFAOYSA-N
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| 37682 |
rxn:2:95786:89477,CC[C@@H]1CCCC(NC2(C)CCN(CCCN(C)C)CC2)C1,HJARKINOJJGFLA-QNSVNVJESA-N
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| 37680 |
rxn:2:90333:131822,CCN1CCCC(ONC2CCCC2CCC2=NC(C)(C)CC(C)O2)C1,LZAUAYYHJMDWKT-UHFFFAOYSA-N
|
| 37681 |
rxn:2:91482:110670,CC(C)c1nn(C2CCCN(C)C2)cc1CNC1CCC2SCCSC12,UUPGEHQNAGCEHV-UHFFFAOYSA-N
|
| 37682 |
rxn:2:95786:89477,CC[C@@H]1CCCC(NC2(C)CCN(CCCN(C)C)CC2)C1,HJARKINOJJGFLA-QNSVNVJESA-N
|
| 37683 |
+
01FEA497C0724C61_868CE04DEBE0FCB4_6039_UN,O([C@H]1CO[C@H]2OCC[C@@H]12)CC3=NN=C(O3)C4CCCOC4,NVLWEOOSPLXDIL-WHYLROFESA-N
|
| 37684 |
+
020BC8C5AAD55B88_F4D683730D4BFDBE_6041_UN,CCOCC1=C(C=CC(=C1)[N](=O)=O)NCC2=C(OC)C=CC(=C2)C,MLQGIEBYTPJFLX-UHFFFAOYSA-N
|
| 37685 |
+
02BA35FF743932BD_9125C4D1B7B9F34E_6039_DP,O(CC2(CC1CO1)CCCC2)CC3OCCC34CCNCC4,FMMWHWYHTIBZMN-UHFFFAOYSA-N
|
| 37686 |
+
0613F3497614E866_FD7A4218B37D0FF1_6039_UN,O(C2CCC1COCCC1C2)CC3=NO[C@@H]4COC[C@H]34,BJTJTWRPGRUREH-BZTRVDRMSA-N
|
| 37687 |
+
061D528BEB0D27BF_26D1E0F577DAD226_6039_UN,O(CC2(CC1CO1)CCOCC2)CC3CCCCCO3,MOBBWGUZVPEXAF-UHFFFAOYSA-N
|
| 37688 |
+
06AD759047C00CC7_06878A108DD2F1CF_6041_UN,FC1=C(C=CC(=C1)[S](=O)(=O)F)NCC3=CC=C(OC2=CC(=CC(=C2)OC)OC)C=C3,QWQNFORJSRPZOD-UHFFFAOYSA-N
|
| 37689 |
+
07135D547F18C8F3_E33C5E6797D0CC72_6039_UN,O(C2C1CCOC1C23CCC3)CC4=NO[C@@H]5COC[C@H]45,NJGWGQREJBQPNK-ZZCDYSTESA-N
|
| 37690 |
+
08227615C0E527FB_AC1BAAD8827F2D88_6039_UN,O(CC2COC1(CCCCC1)O2)CC4=NC3(CC3)CO4,ZOGOXCSNZVFYAF-UHFFFAOYSA-N
|
| 37691 |
+
0923327F724080AC_422077C86C618B42_6029_UN,N(CCC1CC2CCC1C2)[S](C3=CC(=C(C=C3)I)F)(=O)=O,DYJNMOXICLHHMJ-UHFFFAOYSA-N
|
| 37692 |
+
099C4F9EDE15C0F2_EFFBDCA5BB645216_6039_DP,N4CCC3(CC(OCC1=NO[C@@H]2COC[C@H]12)CO3)CC4,IVMOKQHBLBAZLQ-LIXJUXSLSA-N
|
| 37693 |
+
0AF12A652CDD6B3B_FD9A16D18D29A821_6035_UN,O([C@@H]2CC1(CCC1)OC3=C2C=C(C=C3)F)C4=C(C=C(C)C=C4Br)CC=C,LUXNCHQCOBJEAS-HXUWFJFHSA-N
|
| 37694 |
+
0C433495ECD71AEC_132777EE855A1F03_6034_UN,BrC2=C1N(C3=C(C1=CC=C2)CCC3)CC4(NCCCC4)CC=C,GKCPGWYJRGHWSV-UHFFFAOYSA-N
|
| 37695 |
+
0FA5E52F52F5057D_CA1D25147C1F79E2_6029_UN,C1C3CC4CC(N1[S](C2=C(C=C(Cl)C=C2)CBr)(=O)=O)C3C4,LTNABFXEHAOXOX-UHFFFAOYSA-N
|
| 37696 |
+
10F58BB04B29CB26_39A1B71B66F885A7_6039_DP,O([C@@H]1CCCSC2=C1C=CC=C2)CC3=CC(=NO3)C4CCNCC4,GNNHNIGJDHMPHY-GOSISDBHSA-N
|
| 37697 |
+
1172BA5955F04549_871F2E8E2ABC7506_6035_UN,O([C@H]2CC1(CCCC1)OC3=C2C=C(C=C3)F)C4=C(C=C(C)C=C4Br)CC=C,GRQZGCBVCYCLQK-NRFANRHFSA-N
|
| 37698 |
+
15A685E283EA25B4_C8C459E1A972D2CE_6039_UN,O(C1CCOC(C1)C2CCOCC2)CC3=NOC(C)C3,LXGXPJNXPXDQOP-UHFFFAOYSA-N
|
| 37699 |
+
15C67BB522798A33_CE521EA8F02DA3F4_6038_UN,COCCOC1=C(C=C(C=C1)NC(C2=C(N(C)CC=C)C=CC(=C2)[S](=O)(=O)N)=O)F,AXPOZRFGJRVHGX-UHFFFAOYSA-N
|
| 37700 |
+
17E0752EEFC66F77_B0C7C193BFA2A1C4_6026_UN,COCCOC1=C(C=C(C=C1)[S](=O)(=O)NC2=CC(=C(CC)C=C2)[N](=O)=O)Br,PSHOATFWOZTKNR-UHFFFAOYSA-N
|
| 37701 |
+
181B511CACDF227C_804364E5E85455AA_6041_UN,CC1=C(C=CC(=C1)[N](=O)=O)NC2=C(CC)C=CC=C2C(=O)OC,DPROOOLCBRQAEK-UHFFFAOYSA-N
|
| 37702 |
+
1A676FD0B1BDA18D_E69F726ED8B6FFA1_6041_UN,CC1=C(C=C(C=C1)N=[N]#N)NC2=C(OCCOC)C=CC(=C2)[S](=O)(=O)C,VWISQTFDNLBMBS-UHFFFAOYSA-N
|
| 37703 |
+
1C92C3393160ACB0_B34EC128C3D3B630_6039_UN,O(CC2(CC1CO1)CCOCC2)C[C@@H]4C[C@H]3COC[C@H]3O4,XFNDMHBLEXOWLR-ZAQQFOKRSA-N
|
| 37704 |
+
1CD3E63DD7736D2B_B01B97002EF44937_6041_UN,COCCOC1=CC=C(C=C1)NC2=C(CC)C=CC(=C2)[N](=O)=O,LCRMVRJJXFWKGK-UHFFFAOYSA-N
|
| 37705 |
+
1CF6273524DD33B0_D11A9BB8B6C1324D_6039_UN,O(C2C1CCOC1C23CCC3)CC4=NC=C(O4)C5CCOCC5,LRKKPBQTAZURIW-UHFFFAOYSA-N
|
| 37706 |
+
1E535724F089D2EC_6C673573982A46F0_6005_UN,FC1=CC(=C(C=C1)[S](=O)(=O)Cl)C2=CC3=C(C=C2)OCCC3,BLRIAPONFZLARM-UHFFFAOYSA-N
|
| 37707 |
+
1EA7291BEF2FA7B8_7ABC27A8E9173A15_7019_UN,C(C2CCC1=C(C=CC=C1)C2)=CC3=CC(=C(O)C(=C3)F)F,YTUVCRNOXJSTOF-UHFFFAOYSA-N
|
| 37708 |
+
1EE97D433CF2FEA9_A7BD87A538F0F09B_6041_UN,CN(C)P(N(C)C)C1=C(C=CC=C1)NCC(C)N2CCCCCC2,ZAZSNQYYNBDCAO-UHFFFAOYSA-N
|
| 37709 |
+
1F3C43AEF6DE5479_7A2CE29F06EFABFE_6035_UN,CNCC(OC1=C2C(=CC=C1)NCC2)COCC3=CC4=C(C=C3)OCO4,MYHNLIXOIQEYJT-UHFFFAOYSA-N
|
| 37710 |
+
1F8F872CAE8550DB_B4B1C5220D407423_6029_UN,N(CC1ON=C(C1)C2=CC3=C(C=C2)OCC3)[S](C4=CC5=C(C=C4)C=CN=C5C#N)(=O)=O,HZRPXWGPOIMVAP-UHFFFAOYSA-N
|
| 37711 |
+
1FD8A500777E5CF8_A8F699AA115B3C0A_6039_UN,O(C2COC1(CC1)C2)CC3=NC=C(O3)C4CCCCC4,XIGFAWSMRBPBJB-UHFFFAOYSA-N
|
| 37712 |
+
206F078F64EDAED1_EE1010971FAAAED4_6034_UN,FC1=CC2=C(C=C1)N(C3=C2CNCCC3)CC4(CC=C)CCCC4,HYMHPGBAQPSXPW-UHFFFAOYSA-N
|
| 37713 |
+
221E3B5B36FC50A5_5D0545FB561838B7_6039_UN,O(CC2CCOC1(CCC1)C2)CC3=CC(=CC4=C3OC(OC4)C5=CSC=C5)F,UZIOGHFDXYQDLK-UHFFFAOYSA-N
|
| 37714 |
+
22677A3B313D2F1E_0CB8244558B61542_6035_UN,C[C@]45CC[C@H]2[C@@H](CC=C3C[C@@H](OC1=C(C)C=C(C=C1C)Cl)CC[C@]23C)[C@@H]4CC=C5C6=CN=CC=C6,YKRHMKDESOKHJE-LKQAWGCSSA-N
|
| 37715 |
+
232CE15BCD8EBFFD_1DBB05C5D1D69C08_6035_UN,C[C@]45CC[C@H]2[C@@H](CC=C3C[C@@H](OC1=C(C=C(C)C=C1C)Br)CC[C@]23C)[C@@H]4CC=C5C6=CN=CC=C6,QKBRFFKVZYPQMD-RMAZQVEGSA-N
|
| 37716 |
+
23698C7D0DBC711D_75972B5CF55D1DB9_6034_DP,N1CCC(CC1)C3=NC2=C(C=CC(=C2)N)[N]3CCC(CCN(OC)C)C,PXEJEBZKXJQJLR-UHFFFAOYSA-N
|
| 37717 |
+
237A61C4BD1CA2F1_5DD36D109DA9C388_6039_UN,O(C1CCOC(C1)C2CCOCC2)CC3=NC=C(O3)C4CC4,VBIORKFQTUQLAT-UHFFFAOYSA-N
|
| 37718 |
+
2503152813C836E6_B1D38A8D893FB310_6041_DP,N2CC[C@@H]1CN(C[C@@H]1C2)C3=NC=C(N=C3)NC4=CC(=C(C(=C4)F)N5CCCCC5)F,NEUVODKRUDUNQC-CVEARBPZSA-N
|
| 37719 |
+
250C75C0D22069E2_221081239407DC5E_6029_UN,CC1=C(C=CC(=C1)OC2=C(C=CC=N2)C#N)N[S](C3=C(C=C(N(C)C)C=C3)[S](=O)(=O)Cl)(=O)=O,GIXIVXKALFGCOE-UHFFFAOYSA-N
|
| 37720 |
+
254DF17A3C29E5C5_F159D5CBA8B8ABF6_6039_UN,O(C2C1CCOC1C23CCC3)C[C@@H]5C[C@H]4COC[C@H]4O5,ZJXBDRZDTUMOFB-GTMWPXMTSA-N
|
| 37721 |
+
26AC0CDE2DB00EF8_C9DE3689FD0AE8B7_6041_UN,O=[N](=O)C2=C1OCCC(C1=CC(=C2)NC4=CC3=C(C=C(OC)C=C3)C=C4)=O,HDSZPOZYEQGGSR-UHFFFAOYSA-N
|
| 37722 |
+
26B443C75D22E034_159649D13FE35A7E_6029_DP,N#CC1=CC=C(C=C1)C2=CCN(CC2)[S](C3=CC=CC4=C3CNCC4)(=O)=O,DDOODVSNPHFGGX-UHFFFAOYSA-N
|
| 37723 |
+
296D8BB4E9480CD4_0FAC0B978DD1339E_6034_UN,C1CNCC(C1)C3=CC2=C(C=CC=C2)N3CC4CNC4,NUYXFFRGKMRRLI-UHFFFAOYSA-N
|
| 37724 |
+
296D8BB4E9480CD4_F0605F1FCA1B4629_6034_DP,C1CNCC(C1)C3=CC2=C(C=CC=C2)[N]3CC4CNC4,NUYXFFRGKMRRLI-UHFFFAOYSA-N
|
| 37725 |
+
2A55AEFBCD01690E_E2D2D94936425CA5_6039_UN,O(CC1=CN=C(O1)C2CC2)CC4COC3(CCOCC3)O4,KXOOUOGOAJZZJA-UHFFFAOYSA-N
|
| 37726 |
+
2C3B88817CF4AE80_735771593FEED0EF_6029_DP,N4CCC(CN1CCN(CC1)[S](C3=C2C=CC=CC2=CC(=C3)C#N)(=O)=O)CC4,SKFJZOVWKLMRPO-UHFFFAOYSA-N
|
| 37727 |
+
2CCB5E979A8B7969_C08144DF3E21BA9E_6029_UN,N(C2C1C3CC4C1CC5C2C3C45)[S](C7=C6C=CC=NC6=C(OC)N=C7)(=O)=O,KIQRCHNNSXFBJH-UHFFFAOYSA-N
|
| 37728 |
+
2E254DB66DAADB30_E32199F435ABB86A_6035_UN,O(C1(CCNC1)C2=CC=N[NH]2)C3=C(C=CC=C3)SC(F)F,ABAXKCZUSQUMIH-UHFFFAOYSA-N
|
| 37729 |
+
2FB233AEE203B9D3_5D1E11F3748359D2_6035_UN,CC(C)(C)[C@@H]2CCN[C@H](COC1=C(C=C(CCNC)C=C1)Br)C2,TVKIIJRNEFTTIG-CVEARBPZSA-N
|
| 37730 |
+
2FE13D07F0EF16D3_29DDB1934158F289_6041_UN,CC1=C(C(=CC=C1[N](=O)=O)NC3=C(OC2=CC=C(OC)C=C2)N=CC=C3)[N](=O)=O,VQNLECYEUJKOMH-UHFFFAOYSA-N
|
| 37731 |
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3153617730666D36_1C0024F3FDAB1915_6039_UN,CC(OCC1=NO[C@@H]2CCCC[C@H]12)C3=C(C=CC(=C3)C)OC(F)F,IVRKPDQFRONDEZ-QQGYXAEISA-N
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BD40F0BA70C8D29D_A414198B9625F8B2_6041_UN,COC1=C(C=CC(=C1)[N](=O)=O)NCCC2=CC=C(CC)C=C2,FLWVAZKACGKBEH-UHFFFAOYSA-N
|
| 37898 |
+
BDB6C256C6076F40_BE04E088518D0005_6029_UN,C1N(CCC2(C1)C=C2)[S](C4=CC3=C(C=C(O)C=C3)C=C4)(=O)=O,NPOLJXMDTVVXOV-UHFFFAOYSA-N
|
| 37899 |
+
C013498870A3D0AE_0BC8FE19664DE08F_6026_DP,ClC1=C(C=CC=C1C#N)[S](=O)(=O)N3C2(CNC2)CCOCC3,MMVINANHIIBMLK-UHFFFAOYSA-N
|
| 37900 |
+
C06D1207964A271B_E24262129934BE1D_6039_UN,O(CC2(CC1CO1)CCCC2)CC4CC3OCCC3O4,GTZBFYXKPXGZFR-UHFFFAOYSA-N
|
| 37901 |
+
C0B536C8414AB8E1_12E840056CCE854C_7022_UN,COCCOC1=CC(=CC=C1)NC2=C(COC)C=C(C=C2)[N](=O)=O,AFVFATNAZAEVAQ-UHFFFAOYSA-N
|
| 37902 |
+
C0B536C8414AB8E1_F8711B5416777483_6041_UN,COCCOC1=CC(=CC=C1)NC2=C(COC)C=C(C=C2)[N](=O)=O,AFVFATNAZAEVAQ-UHFFFAOYSA-N
|
| 37903 |
+
C295FC47DED527A1_D0D71BD0E916A2BB_6034_UN,FC1=CC2=C(C=C1)C(=CN2CC3(CC=C)CC=CC3)C4CCNCC4,FJXWWTLKGWHXSR-UHFFFAOYSA-N
|
| 37904 |
+
C2B774B8BFECE42F_8615E50AA7EB9E0E_6026_UN,COCCOC1=C(C=C(C=C1)[S](=O)(=O)NC2=CC(=C(COC)C=C2)OC)C,TXRIQRIUMQALJA-UHFFFAOYSA-N
|
| 37905 |
+
C3343D4C5A956CD5_DD2BEF1986224D16_6039_UN,O(CCC1CCCC2CC12)CC3CC4(CO3)CCOCC4,WRGQUOBJYCLZCX-UHFFFAOYSA-N
|
| 37906 |
+
C338767519066444_8DB6F3031D6EAD09_7019_UN,C(C1CCCCC12CCC2)=CC3=C(O)C(=CC(=C3)Cl)F,JRUDDDBMPADSJF-UHFFFAOYSA-N
|
| 37907 |
+
C52E9323914E92BD_5A1EAFC8195F7BD1_6029_UN,N(C1C3C2CC(CC(C1)C2)C3)[S](C4=C(O)C=CC(=C4)Cl)(=O)=O,NCXZFHCYYOWDER-UHFFFAOYSA-N
|
| 37908 |
+
C585CD47B8B9EB98_51BB0804A9EFCE65_6026_UN,COCCOC1=C(C=C(C=C1)[S](=O)(=O)NC2=CC(=C(C=C2)OC)COC)C,IMSGUAZSHJUJOD-UHFFFAOYSA-N
|
| 37909 |
+
C7272181C9F6090E_77F19A7CC1B61D27_6041_UN,CC1=CC4=C(C(=C1)NC2=C(C=C3C(=C2)CCC3)[S](=O)(=O)O)OC=C4,MLGMAYAEAYZHEY-UHFFFAOYSA-N
|
| 37910 |
+
C7ED65F87530C36F_80780FCEEEFF6588_6035_UN,CN(C)CC(OC1=CC(=C(C=C1)OCC2CC2)Cl)CN3CCNCC3,UXYQGWINQGXDTC-UHFFFAOYSA-N
|
| 37911 |
+
C9B2B93F2B2F3829_6AC3BEFD50D78A22_6034_UN,BrC1=CC2=C(C=C1)N(C3=C2CCCC3)CC4(NCCCC4)CC=C,QRKJACIEJBWYHZ-UHFFFAOYSA-N
|
| 37912 |
+
CADA4DF781E70E68_CDB4E423053AC875_6041_UN,COC1=C(C=C(C(=C1)NCC2=CN=C(OCCOC)C=C2)[N](=O)=O)C,LECWVTUCYAEDPD-UHFFFAOYSA-N
|
| 37913 |
+
CB43675E3E5BDA53_189F44E6442729AD_6041_UN,ON=C1CCCOC2=C1C=C(C=C2)NC3=C(C=CC=C3)[As](=O)(O)O,JTRLAFFQMHCWOI-UHFFFAOYSA-N
|
| 37914 |
+
CB9D3AC2FAA7993A_8D87AAC2EFA49461_7019_UN,C(C1CCCCC12CCC2)=CC3=C(O)C(=CC=C3Cl)Cl,UOPCJYVARXAHDX-UHFFFAOYSA-N
|
| 37915 |
+
CCC732463849866C_B13B4CFE5F206BD8_6029_DP,N1C3CCC(N1[S](C2=C(CCCCl)C=CC=C2)(=O)=O)C3,YPARMSWDPDAFCV-UHFFFAOYSA-N
|
| 37916 |
+
CD9F19E1948C31D8_044E50DA4B5A6612_6039_UN,O(CC1CCCC1OC2CCCCO2)CCC3COC3,GWZCJYCFFDMHFU-UHFFFAOYSA-N
|
| 37917 |
+
CF4AB18D39F68CB1_F7653B3482B531DC_7022_DP,C1(=CC(=CC(=C1)F)COC2CCCCC2)OC[C@@H]3NC(OC3)(C)C,VSTIYDYLXOUHCE-INIZCTEOSA-N
|
| 37918 |
+
D160D1FE88889592_1C6AF7FAB7C08F83_6034_UN,FC1=CC2=C(C=C1)N(C3=C2CNCCC3)CC4(CC=C)CC=CC4,IWAKMDPMSBZODT-UHFFFAOYSA-N
|
| 37919 |
+
D2002ACDC003AAE6_FC57953945A7003B_6038_UN,N(CC1=C[NH]C=C1)C(C2=C(N(C)CC=C)C=CC(=C2)[S](=O)(=O)N)=O,OPMPHKNUQJGIJE-UHFFFAOYSA-N
|
| 37920 |
+
D32C12E8A29E1764_30F2803A8A637E15_6039_UN,O(CC1(CCC1)C2CCCO2)CC3=NO[C@@H]4COC[C@H]34,LTBYJHINNZLFNY-AYBZEELNSA-N
|
| 37921 |
+
D380FAE49D01553A_4F644E9FD4D7111E_6038_UN,COC1=C(C(=CC=C1)NC(C2=C(CC)C=C(C=C2)[N](=O)=O)=O)C,XEMQAVPGFOVNCZ-UHFFFAOYSA-N
|
| 37922 |
+
D478F719F5EEAFE7_54DE5FED55092361_6041_DP,N1CC4(C1)CCN(CC2=NC=C(N=C2)NCC3=CC(=C(N(C)C)C=C3)F)CC4,QZHRISRVHJQJLX-UHFFFAOYSA-N
|
| 37923 |
+
D5D09A9D2849A282_9696BD1D59FA0B4C_6029_UN,N(C1C4C2CC5C3CC(C1C23)C45)[S](C6=C(C=C(OC)C=C6)F)(=O)=O,UMVHQQJBQHXBGF-UHFFFAOYSA-N
|
| 37924 |
+
D5DE634D39561609_B077ADE49CD66666_6041_UN,COCCOC1=C(C=CC=C1)NC2=C(COC)C=C(C=C2)[N](=O)=O,QZGOUGFVNPIVQI-UHFFFAOYSA-N
|
| 37925 |
+
D5ED628A98CFDC71_F3AA1B72A2198AEE_6039_DP,N3CCC(OCC1=NC(=NO1)C2=CC=CO2)C(C3)C4CCOC4,JDDALTABIQJIOX-UHFFFAOYSA-N
|
| 37926 |
+
D87AFE46F8B8C08C_094F1CE76B75B70D_6029_UN,N(C1C3CC2CC(CC1C2)C3)[S](C4=C(CC)C=C(C=C4)F)(=O)=O,OAXWKMLVKNOPGK-UHFFFAOYSA-N
|
| 37927 |
+
DAA5BC746E0F319C_F83EEF982C032F2E_6035_UN,O(CC1=CC2=C(C=C1)OC(=N2)S)C3=CC4=C(C=C3)NCCNC4,BCVBCXPGNCBHRL-UHFFFAOYSA-N
|
| 37928 |
+
DAE45793BCBB6B4D_194C2BCA40B4E3BF_6039_UN,CC1(CONC1)OCC2=CSC(N2C3=CC=C(F)C=C3)=NCC4OCCC4,SZGSZXRDYJFYOK-UHFFFAOYSA-N
|
| 37929 |
+
DBAC4869B9974874_D997556914F14659_7022_DP,C1(=CC(=CC(=C1)F)COC2CCCCC2)OC[C@H]3NC(OC3)(C)C,VSTIYDYLXOUHCE-MRXNPFEDSA-N
|
| 37930 |
+
DC3801C31273FCE5_90A028FD1D0825F9_7022_UN,C(=CC1=CC(=CC(=C1)F)F)NCC2=C(C=N[N]2C)C3CCC3,BNWPWCKJERSAOB-UHFFFAOYSA-N
|
| 37931 |
+
DCC3733C1AC9A39A_CE80DB2F28EABF11_6028_UN,C1CN(C3(C1)CC2=C(C=CC=C2)C3)[S](C4=CC(=C(C=C4)C#N)Cl)(=O)=O,BWKITRCMGORVSY-UHFFFAOYSA-N
|
| 37932 |
+
DE90C48BF0A81785_DAC12F79F2DC51E6_6039_DP,N3CCOCC(COCCC2COC1(CCCC1)O2)C3,WOXVOMUVNFBFTJ-UHFFFAOYSA-N
|
| 37933 |
+
E1845CF94101BB14_0A1AAFAE26705131_6026_UN,CC1=C(C(=C(C=C1)[S](=O)(=O)NC2=CC(=C(OCCCOC)C=C2)OC)C)[N](=O)=O,ZKQJYGHSRFNCEO-UHFFFAOYSA-N
|
| 37934 |
+
E293E56D103D7689_684C89862CD0DC6A_6028_UN,N(C2C1C3CC4C1CC5C2C3C45)[S](C6=NC=C[N]6C7=CC=C(OC)C=C7)(=O)=O,YHOVKKOXQSCNNJ-UHFFFAOYSA-N
|
| 37935 |
+
E488FD9904F1AA00_59A3E8DE9577D50A_6039_UN,O(C1CCOC(C1)C2CCOC2)CC3=NC=C(O3)C4CCOCC4,KVOOHRSOTGKVOG-UHFFFAOYSA-N
|
| 37936 |
+
E49FCFEB55449BEF_CA83FA4A337DB086_6041_UN,CC1=C(C(=CC=C1)NC2=C(CC)C=CC(=C2)[N](=O)=O)[N](=O)=O,MGBKWWPPRJVROF-UHFFFAOYSA-N
|
| 37937 |
+
E4A80E11A9AAD369_D179A6C9E79CD8D8_6034_UN,FC1=CC2=C(C=C1)N(C3=C2CNCCC3)CC4(CC=C)CCC4,XBGDMSSJMPXFNE-UHFFFAOYSA-N
|
| 37938 |
+
E5177A4069A8DEEF_C291B826F7DFF5FC_6038_UN,CCOC1=C(C=CC(=C1)NC(C2=C(CC)C=CC(=C2)[N](=O)=O)=O)C,QDMZNZWERVHXND-UHFFFAOYSA-N
|
| 37939 |
+
E64FA128994E08E3_4A13C1B06B0D4E72_6034_UN,O=[N](=O)C1=CC2=C(C=C1)N(C(=O)C=C2)CC3=N[NH]C4=C3CNCC4,SMFATHNPAAEZML-UHFFFAOYSA-N
|
| 37940 |
+
E7796C3C47C9DE44_6B85DA7506180C1D_6029_UN,N(C1C3C2CC(CC(C1)C2)C3)[S](C4=C(O)C(=CC=C4Cl)Cl)(=O)=O,TXZBCTPTSDRCNY-UHFFFAOYSA-N
|
| 37941 |
+
E7E5B611A82945E6_B14AFB3410128098_6029_UN,N(C1=CC2=C(C=C1)SCCC2)[S](C3=CC=C(C=C3)C4(CCOCC4)C#N)(=O)=O,AAFRUBIUGRFUST-UHFFFAOYSA-N
|
| 37942 |
+
E97ECD9ED1D2E60B_6F2737A1555F033A_7022_UN,CC1=C(C(=CC=C1)NC2=C(C)C=C(C(=C2)C)[N](=O)=O)C,CIFSYUOGOAVDTP-UHFFFAOYSA-N
|
| 37943 |
+
E97ECD9ED1D2E60B_D59CB71196C310C1_6041_UN,CC1=C(C(=CC=C1)NC2=C(C)C=C(C(=C2)C)[N](=O)=O)C,CIFSYUOGOAVDTP-UHFFFAOYSA-N
|
| 37944 |
+
EA630091EBD298E1_9F5DCAAAA7292214_6039_DP,O(CC2CCN(CC1=CC=CO1)CC2)CC4OCC3(CCNCC3)C4,QAGSTMHMSZLQTF-UHFFFAOYSA-N
|
| 37945 |
+
ED97872F192AEFF1_683A17AAD2DDF569_6034_DP,CC1=C(C=C(C=C1)CC2=CN(C(=N)S2)C[C@@]34CCN(C)C[C@H]3CNC4)Cl,DNDSLHQQRGQBNG-UZLBHIALSA-N
|
| 37946 |
+
EE434A52C498A717_28DC81462940A413_6041_UN,CC1=C(C=C(C=C1)[N](=O)=O)NC2=C(CC)C=CC=C2C(=O)OC,WQFRVZUYQGIUAZ-UHFFFAOYSA-N
|
| 37947 |
+
EF4694AAE746CE9F_8319796513BBD065_6029_DP,N#CC1=CC(=CC=C1)C2OCCN(C2)[S](C3=CC=CC4=C3CCNC4)(=O)=O,PFMHDSXQWFUBNY-UHFFFAOYSA-N
|
| 37948 |
+
F1AB754E05969BD4_2CCDBC772D061EE3_7022_UN,COCCOC1=CC2=C(C=C1)C=C(C=C2)NC3=C(C=C(C)C=C3)[S](=O)(=O)O,FMBPYJRQSOLRDS-UHFFFAOYSA-N
|
| 37949 |
+
F21E5F19F1DD298D_AEB5FDE3EDAE5CAB_7022_UN,CC1=C(C=CC(=C1)O[C@@H]6CC5=CC[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC=C3C4=CN=CC=C4)[C@]5(CC6)C)Cl,OUGLELZFDJVINC-WXFBTVQKSA-N
|
| 37950 |
+
F2DBB48B7CDE9F72_EC5E0DB14BA907AE_6039_UN,O(C2CCOC1(CCOCC1)C2)CC3=NC=C(O3)C4CC4,KMQMDHBWRKXTET-UHFFFAOYSA-N
|
| 37951 |
+
F2FAE23F13E3FBD1_5DA209FFAA758F90_7019_UN,C(C1CCCCC12CCC2)=CC3=C(O)C(=CC(=C3)Cl)Cl,DYICBJDDWQSAMP-UHFFFAOYSA-N
|
| 37952 |
+
F54A0394FBC56B99_1835B295C1F0EA7E_6039_DP,O([C@H]1CO[C@H]2OCC[C@@H]12)CC3=CC(=NO3)C4CCNCC4,QBDNXFRWNBOKOZ-AEGPPILISA-N
|
| 37953 |
+
F593725656593E56_2BB03AF1C88F4801_6035_UN,CC2(C)[C@@H](OC1=CC(=CC(=C1)F)OC(F)F)[C@H]3CCCN[C@@H]23,RBNBYUNVCKNMNZ-MJBXVCDLSA-N
|
| 37954 |
+
F7DEC2041A6FFFC5_D3E0026750CB3054_6034_DP,C1COC(C1)C3=NC2=C(C=CC=C2)[N]3CC4CNCCNC4,DXSOEAKUEGVRNW-UHFFFAOYSA-N
|
| 37955 |
+
F8C6B81DB578652E_30F244F2FADFD3BC_6041_UN,CC1=CC(=C(C=C1)[N](=O)=O)NC2=C(CC)C=CC=C2C(=O)OC,GPAFUYMOEHUFNO-UHFFFAOYSA-N
|
| 37956 |
+
F982F97B7BFDCE3C_E277EF24A857E506_6029_UN,N(C1=CN=C(C=C1)OC2CCCC2)[S](C3=CC(=C(C=C3)I)[N](=O)=O)(=O)=O,UAJCFEAWBAKNCK-UHFFFAOYSA-N
|
| 37957 |
+
F9850484AA35AB2F_700EBB0ED04159C1_6041_UN,CC(C)CC1=CC=C(S1)NC2=C(C)C=CC=C2[N](=O)=O,FLRHLEVFEQMDOW-UHFFFAOYSA-N
|
| 37958 |
+
FA8B1590EC1445F8_BD74DDA9F28FB115_6035_UN,O(CC1(NCCCC1)CC=C)C3=C2CNCCC2=C(C=C3)F,XBIZCKKODGNHHF-UHFFFAOYSA-N
|
| 37959 |
+
FD77FF2E87BF43C6_4B02B0D734C4420A_6039_UN,O(C2C1CCOC1C23CCCCC3)CC4=NC=C(O4)C5CC5,TUODSDAIBXYMNE-UHFFFAOYSA-N
|
| 37960 |
+
rxn:1:43719:14943,CCOC1=CC2=CCC3C(CCC4(C)C3CCC4(O)c3cn(-c4ccc(Cl)c(I)c4)nn3)C2CC1,RBQIQPWUIAGGQQ-UHFFFAOYSA-N
|
| 37961 |
+
rxn:1:43719:14959,CCOC1=CC2=CCC3C(CCC4(CC)C3CCC4(O)c3cn(-c4ccc(Cl)c(I)c4)nn3)C2CC1,GPKMNQLUHZYZGB-UHFFFAOYSA-N
|
| 37962 |
+
rxn:1:45000:29569,COc1ccc2c(c1)CCC1C2=CCC2(C)C1CCC2(O)c1cn(CC2Cc3cc(C)cc(C)c3O2)nn1,TWFFUWOAECOIDS-UHFFFAOYSA-N
|
| 37963 |
+
rxn:1:61827:14943,CCOC1=CC2=CCC3C(CCC4(C)C3CCC4(O)c3cn(-c4ccc(I)c(Br)c4)nn3)C2CC1,NZGFKOORSVDQTE-UHFFFAOYSA-N
|
| 37964 |
+
rxn:2:103675:122411,Cc1cn(CCN(C)C)nc1NC1CCC(CC2CCCN(C)C2)CC1,SQUCWLCGDAFWFJ-UHFFFAOYSA-N
|
| 37965 |
+
rxn:2:104771:127518,CC(C)N(C)C1CCN(CCNC2CC3CCCN3C(C)(C)C2)C1,IHCHJPCAQWFZRK-UHFFFAOYSA-N
|
| 37966 |
+
rxn:2:108008:114423,CO[C@@H]1CC[C@@H](NC(C)c2cc(C)ccc2OCC2CCOCC2)[C@@H](F)C1,BCIXUFIHEVVULQ-YTXGITBZSA-N
|
| 37967 |
+
rxn:2:113899:135534,CCC(Nc1onc(CN(C)C)c1C)C1CCN(C2CCCC2)CC1,QCSBLFNIXSQGMW-UHFFFAOYSA-N
|
| 37968 |
+
rxn:2:115103:96294,Cc1oc(CNC2CC[C@H](C)N(C)C2)cc1COC1CCCC(C)C1,MOYBNQMDKKTJPS-YQLFWKPASA-N
|
| 37969 |
+
rxn:2:115897:111089,Cc1nc(N(C)C2CCC(C)CC2)c(NC2CCCC(CN(C)C)C2)[nH]1,DVUITUAEHFYHOQ-UHFFFAOYSA-N
|
| 37970 |
+
rxn:2:122376:120901,Cc1nc(N(C)C2CCCC2)c(NC2CCCCCC2N(C)Cc2ccccc2C)[nH]1,AHFHVZDWXAAXHY-UHFFFAOYSA-N
|
| 37971 |
+
rxn:2:122411:69691,Cc1cn(CCN(C)C)nc1NC1CCN(C2CCC(C)CC2)CC1,ZBJXWAKPNUSVRF-UHFFFAOYSA-N
|
| 37972 |
+
rxn:2:122411:96779,Cc1cn(CCN(C)C)nc1NC1CCN(C2CCCCC2C)CC1,AXOICUWAHLRINU-UHFFFAOYSA-N
|
| 37973 |
+
rxn:2:127518:104771,CC(C)N(C)C1CCN(CCNC2CC3CCCN3C(C)(C)C2)C1,IHCHJPCAQWFZRK-UHFFFAOYSA-N
|
| 37974 |
+
rxn:2:130220:158038,COCOc1ccc(C)cc1-c1cccc2c1C(NCC1CCCCC1OCC1CCCCO1)CO2,VTUKGCNTNVUXRQ-UHFFFAOYSA-N
|
| 37975 |
+
rxn:2:69115:116244,Cc1ccc(C(Nc2nc(C)[nH]c2N(C)C2CCCCCC2)C2CCCC(C)C2)cc1,NKUGYSSANYNFTQ-UHFFFAOYSA-N
|
| 37976 |
+
rxn:2:69691:122411,Cc1cn(CCN(C)C)nc1NC1CCN(C2CCC(C)CC2)CC1,ZBJXWAKPNUSVRF-UHFFFAOYSA-N
|
| 37977 |
+
rxn:2:71073:97918,COCOC1CCC(NCCC2(c3cc4c(cc3C)OCO4)COC2)C1,PWAHORAOTHEGNX-UHFFFAOYSA-N
|
| 37978 |
+
rxn:2:72997:88818,COCOCC1CCCC1NCCOC(C)c1cc2c(cc1C)OCCO2,DVYFRIHUJLIGRB-UHFFFAOYSA-N
|
| 37979 |
+
rxn:2:73165:95484,COCCN1CCC(NCCN2CCC[C@H]2CN(C)C)C(C)C1,GWCGAHYIPNRTBB-ADKAHSJRSA-N
|
| 37980 |
+
rxn:2:74555:134018,CC(C)CCN1CCC(N[C@]2(C)C[C@H](N(C)C)C2)CC1,PAZPDWZXAMSVTF-CALCHBBNSA-N
|
| 37981 |
+
rxn:2:75272:137019,COC1C(C)C(NCc2cc(COC3CCCCCC3)on2)CC2OC(c3ccccc3)CCC21,HJRBFJQVLVVPPM-UHFFFAOYSA-N
|
| 37982 |
+
rxn:2:80427:94193,Cc1nn(CCN(C)C)c(NCC2CCCN2CC2CC2)c1C1CCC1,SQTTULYRVPIZNY-UHFFFAOYSA-N
|
| 37983 |
+
rxn:2:89839:128136,COCCOC1CCCCC1NC(CSC)c1cc2c(cc1C)OCO2,IWDKNEAFTMVVKT-UHFFFAOYSA-N
|
| 37984 |
+
rxn:2:91227:98438,CN(c1cc(NC2CCCC([Si](C)(C)C)C2)ncn1)[C@@H]1CCCC[C@H]1F,YUJHXVXHWMTJSA-OPQOLIRYSA-N
|
| 37985 |
+
rxn:2:93066:123131,CN(C)C1(C)CCC(NCCC#CCN2CCC2)CC1,GDLJSUXMZYWIST-UHFFFAOYSA-N
|
| 37986 |
+
rxn:2:94905:143651,COCOc1ccc(C)cc1-c1cccc2c1CCC2NCC1CCC(COC2CCCCC2)O1,YRORPKSRMQLPIQ-UHFFFAOYSA-N
|
| 37987 |
+
rxn:2:96294:115103,Cc1oc(CNC2CC[C@H](C)N(C)C2)cc1COC1CCCC(C)C1,MOYBNQMDKKTJPS-YQLFWKPASA-N
|
| 37988 |
+
rxn:2:96779:122411,Cc1cn(CCN(C)C)nc1NC1CCN(C2CCCCC2C)CC1,AXOICUWAHLRINU-UHFFFAOYSA-N
|
| 37989 |
+
rxn:2:97220:96779,Cc1nn(CCN(C)C)cc1NC1CCN(C2CCCCC2C)CC1,WLPOZEWDYMFUBB-UHFFFAOYSA-N
|
| 37990 |
+
rxn:2:97918:71073,COCOC1CCC(NCCC2(c3cc4c(cc3C)OCO4)COC2)C1,PWAHORAOTHEGNX-UHFFFAOYSA-N
|
| 37991 |
+
rxn:2:98438:91227,CN(c1cc(NC2CCCC([Si](C)(C)C)C2)ncn1)[C@@H]1CCCC[C@H]1F,YUJHXVXHWMTJSA-OPQOLIRYSA-N
|