Added 224 molecules from epoch 16038 for O55192
Browse files- O55192_molecules.csv +224 -0
O55192_molecules.csv
CHANGED
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@@ -30312,3 +30312,227 @@ FEAF14949E468E0E_7C47A43CDC2E1F37_6038_UN,N(C1=CC2=C(C=C1)N=C(O2)N3CCOCC3)C(C4CC
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| 30312 |
FED2108C667FD960_C4BEBA3C570E9339_6039_UN,O(C2CCC1COCCC1C2)CCCCO[S](C(F)(F)F)(=O)=O,ISGHRISTCDZVPD-UHFFFAOYSA-N
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| 30313 |
FF5704799206D72D_DE8F367818743F93_6041_UN,O=[N](=O)C1=CC(=C(N=C1)NC4=CC3=C(N2CC(CC)OCC2)N=CN=C3C=C4)F,IISUVZOAUCDQQT-UHFFFAOYSA-N
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| 30314 |
FF8D905A722D983F_201A59E95A187C78_6038_UN,N(C3C2=CC=C1C=CC=CC1=C2OCCC3)C(C4=CC=CC(=C4[N](=O)=O)C)=O,AOKCQGMFMMXVLP-UHFFFAOYSA-N
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| 30312 |
FED2108C667FD960_C4BEBA3C570E9339_6039_UN,O(C2CCC1COCCC1C2)CCCCO[S](C(F)(F)F)(=O)=O,ISGHRISTCDZVPD-UHFFFAOYSA-N
|
| 30313 |
FF5704799206D72D_DE8F367818743F93_6041_UN,O=[N](=O)C1=CC(=C(N=C1)NC4=CC3=C(N2CC(CC)OCC2)N=CN=C3C=C4)F,IISUVZOAUCDQQT-UHFFFAOYSA-N
|
| 30314 |
FF8D905A722D983F_201A59E95A187C78_6038_UN,N(C3C2=CC=C1C=CC=CC1=C2OCCC3)C(C4=CC=CC(=C4[N](=O)=O)C)=O,AOKCQGMFMMXVLP-UHFFFAOYSA-N
|
| 30315 |
+
00516ACF03239BA2_8DA3C1D194CA03C7_7019_UN,C[Si](C)(C)C1=CC=C(C=C1)C=CC3CCC2(COC2)CC3,DRWOKBMQXTZOPQ-UHFFFAOYSA-N
|
| 30316 |
+
03B9A646A06F4BCB_711B0E04F083E32E_6041_UN,C2(=C1COCC1=CC=C2)NC3=CC(=CC=C3)N4C(NNC4=O)=O,ULNJDWQJOCHUAG-UHFFFAOYSA-N
|
| 30317 |
+
0592E3D78F6B22B8_727B27299F71BFCF_6004_UN,CC1=CC(=C(S1)[Si](C)(C)C)C2=C(C=CC(=C2)C)OC3CCCC3,HBDUZEPATKYQEB-UHFFFAOYSA-N
|
| 30318 |
+
059E67858CB9A468_152C7059EEA46480_6041_UN,FC2=C(C=C1OCC(C1=C2)=O)NC3=CC=CC4=C3N(C)CCC4,MVFZCYORGZGIBI-UHFFFAOYSA-N
|
| 30319 |
+
07D074227CF89A8D_F5D7D3723768D99E_6041_DP,N1[C@@H]([C@H]2CC[C@@H]1C2)C3=NC=C(C=N3)NC4=CC(=C(N(C)C)C=C4)F,LKNIUZIGQHVEJR-JKDFXYPNSA-N
|
| 30320 |
+
087DD0CC9A928ACD_DDF7203422D98F97_7019_UN,C[Si](C)(C)C1=CC=C(C=C1)C=CC2=CCCCCCC2,OXVBRJMONAOVLP-UHFFFAOYSA-N
|
| 30321 |
+
0A0D1AE4D23AF86E_457FF2C975C00B69_6039_UN,O(C2C1CCOC1C23CCCCC3)CCSC(C)(C)C,CEBOCUYPXWRMQX-UHFFFAOYSA-N
|
| 30322 |
+
0A0D1AE4D23AF86E_533A7E02B3D7AC02_6039_UN,O(C2C1CCOC1C23CCCCC3)CCSC(C)(C)C,CEBOCUYPXWRMQX-UHFFFAOYSA-N
|
| 30323 |
+
0B141F146DF4CCA6_5B61B6248A62EC21_6043_UN,C2(=C1C3=C(COC1=CC=C2)C=CC=C3)N[S](=O)(=O)C4=CN=C(C=C4)[N](=O)=O,NCEFJEIOUMWMPE-UHFFFAOYSA-N
|
| 30324 |
+
0C2DD0DAC803BBA2_32DFE95F7467B3F7_7019_UN,C(CC2COC1(CCCC1)O2)=CC3=CC(=C(C=C3)O)SC,HQALJJMTODJOPG-UHFFFAOYSA-N
|
| 30325 |
+
0CD82B89C597C9F3_DE0B254948701E08_6041_UN,CC2=C(C=C1OCCC(C1=C2)=O)NC4=CC3=C(CCN(C)C3)C=C4,ZCHLVWQPKQEWSU-UHFFFAOYSA-N
|
| 30326 |
+
0ED3F0CA550B44CF_89F55F630A3480FB_6043_UN,COC1=C[N](=C(C(=C1)N[S](=O)(=O)C2=CSC(=C2)[N](=O)=O)C)=O,DTLUQWIOPIOKBR-UHFFFAOYSA-N
|
| 30327 |
+
0FB52B49A415CB8B_55F03F452DC59B12_6041_UN,CC1=C(C=C([N](=C1)=O)NC2=CC(=C(C=C2)[S](=O)(=O)F)F)[N](=O)=O,KCNLHSLYVLYQRK-UHFFFAOYSA-N
|
| 30328 |
+
1205CC11520A096C_63E1178295BAF8D9_6029_DP,N1CC2CC1CCN2[S](C3=CC=C(C(F)=C)C=C3)(=O)=O,VQGOUQYNOBTSPP-UHFFFAOYSA-N
|
| 30329 |
+
12B98593DFB7A59B_14641F4FDB880233_7019_UN,FC1=C(C(=CC=C1)F)C3(C=CC2CC(C)(C)OCC2)CCC3,ZOFWGDRDEPUWGA-UHFFFAOYSA-N
|
| 30330 |
+
12CEF1B9DD196978_6B17F876ABD64374_6004_UN,C2(=C1NC(OC(C1=CC=C2)=O)=O)C4=CC3=C(N(C)CC3)C=C4,YPNXNTZRYOYQRT-UHFFFAOYSA-N
|
| 30331 |
+
12CEF1B9DD196978_C421F7AE9598B2D8_6005_UN,C2(=C1NC(OC(C1=CC=C2)=O)=O)C4=CC3=C(N(C)CC3)C=C4,YPNXNTZRYOYQRT-UHFFFAOYSA-N
|
| 30332 |
+
12E0DADAD42B38EC_173E9A9D588C43FF_6029_UN,COC(=O)C1C2CC(C1)CN(C2)[S](C3=CC=C(CBr)C=C3)(=O)=O,IARAEGWYOCXXCH-UHFFFAOYSA-N
|
| 30333 |
+
13580FF99F571F30_5C80859282AA5BBB_6038_UN,N(C2=C1CNNCC1=CC=C2)C(=O)C4=CC(=C3OCOC3=C4)[N](=O)=O,RJXJSMADISAVIG-UHFFFAOYSA-N
|
| 30334 |
+
13A114BFE9094CF6_FBF840EBA2C00031_6043_UN,CC(=C)C1=CN=C(C=C1)N[S](=O)(=O)C2=C(C=CC(=C2)Cl)[N](=O)=O,RQMCZDOAKRYXLU-UHFFFAOYSA-N
|
| 30335 |
+
13AFA3DAA4DEFC8C_0960CFDFA59ED5DF_6028_UN,N(CC1C2CC(C1)C3CC23)[S](C4=C(C(OC)=O)C=CC(=C4)Cl)(=O)=O,RWEHWHCWXKVKFT-UHFFFAOYSA-N
|
| 30336 |
+
146CB94AF9E6EEEF_CC1AC96060777CD8_6035_UN,O(C3CCC4C1CC(C2OC12)C34)C5=CC=N[N]5C(C)(C)C,PCQIQANYMYACFG-UHFFFAOYSA-N
|
| 30337 |
+
14BBBCABDD47B971_25EAA96A39ACBAB5_6035_UN,O([C@H]1CO[C@H]2OCC[C@@H]12)C3=C(C(C)(C)C)C=C(C=C3)I,VRJUHAHVPQBAFL-TUKIKUTGSA-N
|
| 30338 |
+
16BC96401D2A6DA5_2E61A75725C72A2D_6038_DP,N4CC1=C(C=C(C=C1)NC(=O)C3=CC(=C2OCOC2=C3)[N](=O)=O)C4,GKKBSDRAUFDSOR-UHFFFAOYSA-N
|
| 30339 |
+
16DFB0B96970ED6C_6540C3AE0CE76F51_6026_DP,O=[N](=O)C1=C(C=C(C=C1)[S](=O)(=O)N3CC2(CNC2)OC4=C(C3)C=CC=C4)Br,NTMBIWGWCPHHNL-UHFFFAOYSA-N
|
| 30340 |
+
19381459E52501B2_16A36A7CA2DD629A_7022_UN,C2(=CC1=C(C=C(C=C1)F)O2)NC3=C([N](C)N=C3)C4CC4,DKDHLFDZNARIBO-UHFFFAOYSA-N
|
| 30341 |
+
1C4C5FA7145BDD91_742056B7A8B1F92A_7005_UN,[NH]2C1=CC=C(C=C1N=C2C3OC(C3)C4=CC=CC=C4)[N](=O)=O,DRUHVZMOWGYBRJ-UHFFFAOYSA-N
|
| 30342 |
+
1C7ED40BE2FE1A9D_FEC27C1EFAA2C47B_7009_UN,N([S](=O)(=O)C1=C(C=CC(=C1)Cl)Cl)C(C2ON=C(CC)C2)=O,OBHYBHKRCSICOW-UHFFFAOYSA-N
|
| 30343 |
+
209C2554BDB9FBE7_DC9F18EF436F392D_7019_UN,CC2(C)OB(CCC=CC(OC)C1CCCC1)OC2(C)C,ADRPHJRGPOTFIV-UHFFFAOYSA-N
|
| 30344 |
+
24166DECD3C16AEE_84FBD1FDB45C0398_7019_DP,O=[N](=O)C1=CC(=C(C=C1)C=CC3=C(C2CCNCC2)OC=N3)Cl,JJQOVSUZJDTXRA-UHFFFAOYSA-N
|
| 30345 |
+
2477C3B339A7754B_7EE03185D4441481_6041_UN,C1(=CC2=C(C=C1)NC(=O)NC2=O)NC3=CC=C(C=C3)OC4COC4,GGHQGESZRFIVEF-UHFFFAOYSA-N
|
| 30346 |
+
2546A551AF357683_8FAFAE9DB7E5EC30_7019_UN,O=[N](=O)C1=C(C=C(C=C1)C=CC3=N[N]2CCOCC2=C3)F,WDSSIDIGYDTTNH-UHFFFAOYSA-N
|
| 30347 |
+
25617F90E3D9BDEB_7354A981E41B1B91_7019_UN,C[Si](C)(C)C1=CC=C(C=C1)C=CC3CCC2(CC2)CC3,XMJPEOKOYWJUAX-UHFFFAOYSA-N
|
| 30348 |
+
276B3E33A2B668E9_5EF3172D3AE730A5_6043_UN,COC1=C[N](=C(C(=C1)N[S](=O)(=O)CC3=C2OCCOC2=CC=C3)C)=O,KRUYSUUGMHAIIQ-UHFFFAOYSA-N
|
| 30349 |
+
2787C86B851523B0_8E5680ABABCFEFA8_6041_UN,FC2=C(C=C1C=CN=CC1=C2)NCC3COCCN3C,VNXZKHVMSATOED-UHFFFAOYSA-N
|
| 30350 |
+
28EF7EC553E09EA7_4F0C3DE46EE96E4E_6041_UN,CC2=C(C=C1OCCC(C1=C2)=O)NC3=CC=CC4=C3N(C)CCC4,BRLSFDASEWBUEV-UHFFFAOYSA-N
|
| 30351 |
+
293BB1E2873DAE27_DCC6BD11D326A9FB_6003_UN,O(C2=C1OCCC1=CC=C2)C3=CC=C([N](=O)=O)C4=C3C=CN=C4,AHIWZVHJNQQRRW-UHFFFAOYSA-N
|
| 30352 |
+
2AFC851780CF9922_56DE912EF1A67F23_6043_UN,ClC2=C(C=C1NC(NC1=C2)=O)N3[S](=O)(=O)C4=C(OCC3)C=CC=C4,HJTRYQYHCGHWAX-UHFFFAOYSA-N
|
| 30353 |
+
2B39AE513FDC9C5C_8CBEFED89A77195E_6041_UN,FC2=C1CCCC1=C(C=C2)NCC3(N(C)C)CCCC3,MEPFPEFJRZBBGK-UHFFFAOYSA-N
|
| 30354 |
+
2FE8013512F48DC6_C1FAC8D65801BBAB_7019_UN,C(C1COC1)=CC3=C(N(C)C2CCCC2)C=CC(=C3)F,GGMQYQAVSIOAAF-UHFFFAOYSA-N
|
| 30355 |
+
33D775651A3503AE_881B8AA92546CAC5_6041_UN,C1(=CC2=C(C=C1)[NH]C3=C2CCCC3)NC4=CC=CC5=C4OC(N5C)=O,XLKJIIURYAAQJT-UHFFFAOYSA-N
|
| 30356 |
+
359078A870A721D5_B8232A436A8BB54A_6031_DP,O(C(=O)C1(CC1)C2=CCNCC2)CC3(CCNCC3)N,ACXWKVPEGCMTCT-UHFFFAOYSA-N
|
| 30357 |
+
36D67A22277BA581_5318DBAA36D4C509_6035_UN,O(CC1C2CCC#CCCC12)C3=C(C=CC(=C3)C(C)(C)C)I,YXZSBTFTXSSJQW-UHFFFAOYSA-N
|
| 30358 |
+
3715879DCFC5D9A2_5BCFF4D181798435_7022_UN,C1(=CC=C(O1)C2CC2)NC3=C(C=CC(=C3C)[N](=O)=O)F,VFDGJXGKNOGRME-UHFFFAOYSA-N
|
| 30359 |
+
376C9AF8A2588A12_043C32125764FE73_6005_DP,O=[N](=O)C2=C(C=C1OCOC1=C2)C4=C3[N](CCNC3)N=C4,UBPKSFRUNIPJHE-UHFFFAOYSA-N
|
| 30360 |
+
39E8781D1ABC5C2C_88A3B588C041158D_6029_UN,N(CC1C2CCC(C1)C2)[S](C3=CC(=C(C(CC)=O)C=C3)Cl)(=O)=O,FEIZTGODPCJOEZ-UHFFFAOYSA-N
|
| 30361 |
+
3B62475E5F62A50B_7F3DFB971CC76D38_6031_DP,N1CCOCC(C1)C(=O)OCC2(CN)C3CCC(C2)C3,PCHVYBMFSFYDTI-UHFFFAOYSA-N
|
| 30362 |
+
3B92E44912B9FC11_BE4B0A3F4C9DEEC6_6036_UN,COC1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)N3[S](=O)(=O)C4(C3)CCOCC4,VGVGLGXUMMPENH-UHFFFAOYSA-N
|
| 30363 |
+
3CBF86554F088783_FF62A09346D5AE0E_6035_UN,CC(=C(Br)COC2=CC=C([C@@H]1[C@H](C)CCNC1)C=C2)C,MKKSXVKUKQRQOB-CJNGLKHVSA-N
|
| 30364 |
+
3DE186946841CEB0_86898D5B39B83F80_7019_UN,C(C(=C)C#N)=CC1(O[Si](C(C)(C)C)(C)C)CCOCC1,PCLSNIWEPYNZNL-UHFFFAOYSA-N
|
| 30365 |
+
40C65A273C1604E0_F9DBDB48441DD6D8_6038_UN,N(C2=C1[NH]C=CC1=CC=C2)C(=O)C4=C3OCCOC3=CC(=C4)[N](=O)=O,FDUOQKJKTTWZCE-UHFFFAOYSA-N
|
| 30366 |
+
412520B67C83D1B4_6014BED64FC91DEA_6041_UN,FC2=C1C=NC=CC1=C(C=C2)NCC3COCCN3C,VSINXZDLSQCGJW-UHFFFAOYSA-N
|
| 30367 |
+
41CAD7A432815A42_06D4514994D7D2A2_6039_DP,O(C(C1=CC=CS1)C2=NC=C[NH]2)CC3CNC(CO3)(C)C,YKLRELOMJZVJFR-UHFFFAOYSA-N
|
| 30368 |
+
4362BB3A922946FE_E6786CE123301679_7019_UN,C(C1CCOCO1)=CC(C)=CC2=C(C=CC=C2)OC(F)F,MKZXDBRATTWRPQ-UHFFFAOYSA-N
|
| 30369 |
+
44870BAED1764C1A_B41644C16BACC575_6041_DP,CC2=C(N=C1C(=CC=C(C1=C2)C)C)NC(C)CC3CCNCC3,CVZGQNDGQBCMPY-UHFFFAOYSA-N
|
| 30370 |
+
44CCBF5CB4A04EE6_41AEA7B61C6ED497_7019_UN,O=[N](=O)C1=CC(=C(C=C1)C=CC2=CSC(=C2)C3OCCO3)Cl,MYLDFVXGOSGZIM-UHFFFAOYSA-N
|
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