Added 410 molecules from epoch 16728 for P31645
Browse files- P31645_molecules.csv +410 -0
P31645_molecules.csv
CHANGED
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@@ -37030,3 +37030,413 @@ rxn:2:88633:128544,CN1CCOC(CONC2CCCC2CCc2ccc3c(c2)OCCO3)C1,CUKFQQJFFRGEMC-UHFFFA
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| 37030 |
rxn:2:93198:130848,CN1CC2CCC1CC2Nc1nnn(CC2C3CC4CC(C3)CC2C4)n1,YWJRDZIFTBOPOO-UHFFFAOYSA-N
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| 37031 |
rxn:2:95342:72060,CN1CCC(CCCNC2CCCCC2c2ccc3c(c2)OCCO3)C1,MHFRFTSCEZECPL-UHFFFAOYSA-N
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| 37032 |
rxn:2:97039:115706,CN1CCC(NOCC2CC3(CCC3)C2)C1Cc1cccc2c1OCO2,AEMRHPCQOTXXKU-UHFFFAOYSA-N
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| 37030 |
rxn:2:93198:130848,CN1CC2CCC1CC2Nc1nnn(CC2C3CC4CC(C3)CC2C4)n1,YWJRDZIFTBOPOO-UHFFFAOYSA-N
|
| 37031 |
rxn:2:95342:72060,CN1CCC(CCCNC2CCCCC2c2ccc3c(c2)OCCO3)C1,MHFRFTSCEZECPL-UHFFFAOYSA-N
|
| 37032 |
rxn:2:97039:115706,CN1CCC(NOCC2CC3(CCC3)C2)C1Cc1cccc2c1OCO2,AEMRHPCQOTXXKU-UHFFFAOYSA-N
|
| 37033 |
+
01CED9A8AA3C18E0_73649ABF4496B092_6038_UN,COC1=CC3=C(C=C1)C=C(CNC(C2=CC(=C(CC)C=C2)[S](=O)(=O)C)=O)C=C3,XPSFYHXGANEWEX-UHFFFAOYSA-N
|
| 37034 |
+
0433E6013623AE63_61BE492FF73BAC20_6035_UN,CN1C2CCC(C1)CC2COC4=NC3=C(C(=N[N]3C)C)C(=C4)Cl,DWVKUFPLKWWUHB-UHFFFAOYSA-N
|
| 37035 |
+
04993C6C82D27CA3_FCF8A7673C3CF637_6026_UN,C[N]2C1=C(C=CC=C1)C3=C2C=CC(=C3)[S](=O)(=O)N5CC=C(C4=CC=C(N(C)C)C=C4)C5,MRLOSNNZESSWSH-UHFFFAOYSA-N
|
| 37036 |
+
053B631DFB849FB7_AB4100BC98FBF34A_6038_DP,CC1=C(C=C(C=C1)CNC(C2CC3CNC2C=C3)=O)F,WNYIATDMBKAKES-UHFFFAOYSA-N
|
| 37037 |
+
08E4E2842AC25F75_F5772E7877A3E89D_6039_UN,CC(C)CC3(COCC1=CC(=CC2=C1OCOC2)F)CC3,XREIZDAKXJIONK-UHFFFAOYSA-N
|
| 37038 |
+
09D63538D7DE1E71_21A1AFA2704B257D_6029_UN,N(C1=CC2=C(C=C1)CCC2)[S](C3=C(F)C=CC4=C3C=CS4)(=O)=O,GAVAAZIBXYYVPA-UHFFFAOYSA-N
|
| 37039 |
+
09F4936A2B30E8F2_CF94BBDC33C08F12_6038_DP,S(C1=CC2=C(C=C1)C=CC=C2)C(C3=CC4=C(C=C3)CNCCC4)=O,KZKASXTXSHRUBL-UHFFFAOYSA-N
|
| 37040 |
+
0B6BDA9E158DF9BB_CB5D1F9FA74C1D05_6039_UN,COC1=C(C=CC(=C1)CN(C)C)OCC2=CC=C([S](Cl)(=O)=O)C=C2,OODJPKNKCVCICZ-UHFFFAOYSA-N
|
| 37041 |
+
0C08D73C47D6DDA8_A407A4A1C99FC923_6041_UN,C[N]2N=C1CCCC1=C2NC3=C4C(=CC=C3)OCCCO4,PVHCGDKDKARMDG-UHFFFAOYSA-N
|
| 37042 |
+
0C621A3F3C9F6A9C_C27A75B68232C285_6041_UN,O=[N](=O)C1=C(C2=C(C=C1)[NH]N=C2)NC3=C(C=CC4=C3OCO4)F,WSLMTDWIRBEQGN-UHFFFAOYSA-N
|
| 37043 |
+
0C8BF8D0381665E7_C17E940D456CAEA1_6028_UN,CN(C12CC(C1)(C(F)(F)F)C2)[S](C3=NN=C([N]3C4=CC=CC(=C4)C)C5=CC=C(C=C5)Cl)(=O)=O,HUDKCJCFWSZEIP-UHFFFAOYSA-N
|
| 37044 |
+
0D9F11730DAB0FC0_28CEF309F2B1D432_7022_UN,C2(=C1C=CC=CC1=CC=C2Cl)NC3C4(C3)CCCCC4,WGEKCNXMEPBWIN-UHFFFAOYSA-N
|
| 37045 |
+
0E2DA7A0ABC026CB_9A32BED82CA2E8F3_6041_DP,CN(C)C2=C1C=CC=CC1=CC=C2NC3=C(CNC3)C#N,UESMQMXTZCNQMQ-UHFFFAOYSA-N
|
| 37046 |
+
0E41BA62848EA0D5_66118D183058EF0C_7019_UN,COC3(CC=CC2=CC=C(OCC1=C(F)C=CC=C1Cl)C=C2)CCC3,DYLYNHMTLNFRTO-UHFFFAOYSA-N
|
| 37047 |
+
0E47EDD38757FDCB_DE6490C95F2A8CDD_6038_UN,N(CC1=CC=C(C=C1)CC2=CC=CC=C2)C(C3=C(N(C)C)C=CC(=C3)[N](=O)=O)=O,VOFWUBGLWWHPTA-UHFFFAOYSA-N
|
| 37048 |
+
0ED405DC92F2F9EA_B4801B78D57A4807_6038_UN,N(C1=CC=C(C=C1)C2=CSC3=NCCCN23)C(C4=CC=CC5=C4N=C(N(C)C)O5)=O,MUKPMXCZWGZXBN-UHFFFAOYSA-N
|
| 37049 |
+
1025CE7C606454A9_A736AB07DD98EE53_6041_UN,C[N]1N=C(N=C1NCC3(N(C)C)CC2=C(C=CC=C2)C3)C4CCOCC4,GZXKFSKHERHNLK-UHFFFAOYSA-N
|
| 37050 |
+
10429B3527110DE0_DEB9B4C3C5186747_7022_UN,C1(=CC(=CC(=C1)F)COC2CCCCC2)NCCN3CCOCC3CC,YROPMPKMGIMUQC-UHFFFAOYSA-N
|
| 37051 |
+
125102B24596DFB3_B81BB560A40D21BD_6029_UN,N(C13CC2CC(C1)CC(C2(F)F)C3)[S](C4=C(C=CC=C4)[N+]#[C-])(=O)=O,GNXRVWFFQMVXBQ-UHFFFAOYSA-N
|
| 37052 |
+
1440155BEF80F763_0341422CD5629484_6026_UN,CC1=CC(=C(C=C1)Br)[S](=O)(=O)N2C3C(OC)C4CC(C2)C3C4,MNAJQFYSKSJQSN-UHFFFAOYSA-N
|
| 37053 |
+
148AF87517B9AE30_9826FB55B4F5BE67_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C=CC=C2)N4CCC(C3=CC=C(N(C)C)C=C3)CC4,GGKDPGBJOSUGAW-UHFFFAOYSA-N
|
| 37054 |
+
14F06BB3574DF9BB_C6E99467426B0B45_6029_UN,N(C1=CC2=C(C=C1)CCCCC2)[S](C3=C(C=C(O)C=C3)C#N)(=O)=O,FXZTWUIDUQFCKW-UHFFFAOYSA-N
|
| 37055 |
+
14F251DAC658B93F_591393650211E260_7022_UN,C1(=CC=C(C=C1)CCN2CCCCC2)NCCO[Si](C)(C)C,ZGBJVAROJPBNLD-UHFFFAOYSA-N
|
| 37056 |
+
159421F28CC131F1_472916E8977D8BB7_6039_UN,O(CC1CC(=NO1)C2CC2)CCN3C(C)(COCC3)C,JVUWYANSQQDORW-UHFFFAOYSA-N
|
| 37057 |
+
15E541EED8E3EEA7_F96478BCCF64CFC5_6039_UN,O(CC1(CC=C)CCCC1)CC2=CC(=CC3=C2OCOC3)F,OJMOKQJXGSZPLB-UHFFFAOYSA-N
|
| 37058 |
+
179FE758783EF715_8F306A0A5CA61BF2_6026_UN,[S](=O)(=O)(C1=C(C=CC(=C1)Br)C#N)N4CC2(C3=C(CC2)C=CC=C3)CCC4,FFMRRURSJMLKLM-UHFFFAOYSA-N
|
| 37059 |
+
17BB258AC252C344_B1BD7E057B78F084_6039_UN,O(CC2(CC1CO1)CCOCC2)CC3CN=C(O3)C4CC4,WFMWONXLGIQPFA-UHFFFAOYSA-N
|
| 37060 |
+
17D2F0EB88BAB160_E5311847E7C55A85_7022_UN,C1(=CC(=CC(=C1)F)COC2CCCCC2)NC[C@H]4[C@H]3CCOC[C@H]3CO4,NTBWZUVXZCWSLB-NDXORKPFSA-N
|
| 37061 |
+
182DA31636BDEC18_FDA8CF5AB0A0C73D_6039_UN,C[C@@H](OCC1=C(ON=C1C)C2CC2)C3=CC4=C(C=C3)CCC4,KNJJQIFSJQSGPV-CYBMUJFWSA-N
|
| 37062 |
+
18C3C0D4802AF9D7_8B502EBD9954C763_7022_UN,COCCOC1=CC2=C(C=C1)C=C(C=C2)NCC3=CC(=CC=C3)[N](=O)=O,XIUDTDLXNGNODK-UHFFFAOYSA-N
|
| 37063 |
+
18E99FC842553201_AF1F2B030A917691_6038_UN,N(C1=CC2=C(C=C1)CN[S]2(=O)=O)C(C4=CC3=C(C=C(N(C)C)C=C3)C=C4)=O,UYQQMWDNBNSLKG-UHFFFAOYSA-N
|
| 37064 |
+
18FD32AC784F6483_AC9DF375ECB4CF9F_6039_UN,O(CC2(CC1=CC=C(C=C1)F)CC2)CCN3CCOCCC3,RQMVOYQYGZBICX-UHFFFAOYSA-N
|
| 37065 |
+
1A036F28E5FC3CE6_D581D9E9A185CAC3_6035_UN,O(C(C1CCCC1)C2=CC3=C(C=C2)OCO3)C4=CC(=CC(=C4)Br)OC,VYYUTPDQTNVYNI-UHFFFAOYSA-N
|
| 37066 |
+
1A18E2198ACF33BB_F87B8304A2F53140_7022_UN,C1(=CC=C(C=C1)CN2CCOCC2)NC3=C(N(C)C)C=CC(=C3)Cl,TZHXPKIBUYQWLF-UHFFFAOYSA-N
|
| 37067 |
+
1A4664DA413410BD_E1B74387B5A5016C_6029_DP,N1C3CCC1CC(N[S](C2=CC(=C(C)C=C2F)Cl)(=O)=O)C3,JHZNAIBFVZUCDT-UHFFFAOYSA-N
|
| 37068 |
+
1AB1F5BDE76D26E3_7D579EDD12EE9D77_6039_UN,O(CC1CCCC1OC2CCCCO2)CC3=CC(=CC4=C3OC(OC4)C5=CSC=C5)F,WDKNAVPJBBKOEW-UHFFFAOYSA-N
|
| 37069 |
+
1CA4260C01FB3BFF_0DDCF56CBC91DF1D_6039_UN,CC(C)C1COCCC1OCC3=CC(=C2OCOC2=C3)C4CC4,SRCBMNZLHZUSCP-UHFFFAOYSA-N
|
| 37070 |
+
1CE6F98EEECE7A03_12D1AE46C236D527_6039_UN,O(C1CCC2(CC1)OCCO2)CC3=CC=CC4=C3N=C(C)O4,ANOJVHDQEKEWBV-UHFFFAOYSA-N
|
| 37071 |
+
1F53913FA36DC971_D7B61A6603B7FF70_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)CBr)NC3(C2=C(C=C(C)C=C2)Br)CCCCC3,AGMSOBPRXHFITK-UHFFFAOYSA-N
|
| 37072 |
+
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|
| 37311 |
+
E95697F19BCF161C_C7F165D2138FF267_6041_UN,C1(=C[NH]N=C1C#N)NC2(CC2)C4=CC3=C(C=CC=C3)O4,WOTROJYFOUBGES-UHFFFAOYSA-N
|
| 37312 |
+
ED2597399B1C9FB0_6F8B4E42D49BD72E_6038_DP,N4CCC1=C(C=C(C=C1)OC(=O)C2=CC3=C(C=C2)OCCO3)CC4,IIUIPHDULWZRBY-UHFFFAOYSA-N
|
| 37313 |
+
ED947D37D8EE29AB_A8431EF28BEC4BB2_6029_UN,N(C1=C(C=C(C=C1)C#N)C2CC2)[S](C3=C(CBr)C=CC(=C3)C#N)(=O)=O,ANSBMROPUDMJRI-UHFFFAOYSA-N
|
| 37314 |
+
EDE0EC4312D79E56_BBA797A56597315A_6038_UN,N(C1=C(C=CC=C1)SCCC#N)C(C2=C(C(=CC(=C2)[S](N)(=O)=O)Cl)Cl)=O,CHSLCDNERRIWAP-UHFFFAOYSA-N
|
| 37315 |
+
EED11346664B9E63_709F076F30DFC1F6_6035_DP,N1CCC4(CC1)OC5(COC2=NC(=NO2)CC3=CC=C(C=C3)F)CC4(N)C5,PMQZQEMAYLYRHV-UHFFFAOYSA-N
|
| 37316 |
+
EED6B0A44611226B_174F2BF32499B243_6039_UN,O(CC2CCOC1(CCCC1)C2)CC3CC(=NO3)C4CC4,USFVFSXQBFGMOI-UHFFFAOYSA-N
|
| 37317 |
+
EF2C2C9BC0BD68DA_CBFB28993B8BF5A0_7022_UN,C1(=CC(=CC(=C1)F)COC2CCCCC2)NC5=NC3=C(CCCC3)C4(CCCCC4)S5,UQEGJBMAQLRMKP-UHFFFAOYSA-N
|
| 37318 |
+
F09B5ED57DE9316C_35552EECADC0D040_7022_UN,C1(=CC=C(C=C1)CF)NC2=C(N(C)C)C=CC(=C2)[S](=O)(=O)N3CCCCC3,PRXDEIVNIOTIHD-UHFFFAOYSA-N
|
| 37319 |
+
F0B6A4A63BEF1B2D_133ABCE6B8F854D0_6041_UN,CC2=C1C=C[NH]C1=C(C=C2)NC3=C(C=C(C(=C3)[N](=O)=O)F)F,NQAIIONZENFSGC-UHFFFAOYSA-N
|
| 37320 |
+
F14D82253901BCF3_D4443B0B9515722A_6039_UN,CN(C)[C@@H]1CCCC[C@H]1OCCC2=C(F)C=CC=C2F,KMMHKWDQUXJKKF-HZPDHXFCSA-N
|
| 37321 |
+
F1759C20D3BF4E50_8B64B34DC39493B9_6035_DP,N[C@@H]1[C@H]4CN[C@@H]1[C@@H](OC2=CC=C(C=C2)OC3=NC=C(C=N3)Br)C4,HFVQJOIRWOZRDT-KYQLBWAOSA-N
|
| 37322 |
+
F2BD6B96E4D5DE86_29723EAB4FBE6FA1_6039_UN,COCC45CC(COCC1=CC(=CC2=C1OC(OC2)C3=CSC=C3)F)(C4)OC5,DHXNBOIABSWLSA-UHFFFAOYSA-N
|
| 37323 |
+
F4A8E699C80F8686_943FA78C1FBFBBDB_6041_UN,O=[N](=O)C1=C(N=CC(=C1)C#N)NCC3=CN=C(N2CCN(C)CC2)C=C3,QESDREURFCNSJQ-UHFFFAOYSA-N
|
| 37324 |
+
F5A16DAA3CA250E0_E05FAB15F7415A00_6034_UN,C1CNCC(C1)C3=CC2=C(C=CC=C2)N3CC4=C(N(C)C)C=C(C=C4)Br,YBLUSIIWEDEYGI-UHFFFAOYSA-N
|
| 37325 |
+
F5DCF5B91CFE90AA_1CF7A929DC281075_6036_UN,C(C1=CC2=C(N=C1)C(=CC=C2)F)N3[S](=O)(=O)C4=C(OCC3)C=CC=C4,ZFCKQTKKLBFJQV-UHFFFAOYSA-N
|
| 37326 |
+
F7ECA15B9C8A1941_ABA70C220F55B455_6041_DP,CN(CC1=NC=C(N=C1)N[C@H]2CC[C@@H](N(C)C)C2)C3CCCNCC3,JVHGMQFJEMBJIQ-DKKDMOBXSA-N
|
| 37327 |
+
F82DE320FB59BA84_F43C89ABCAFD4E44_6039_UN,CC(C)C1=CC2=C(C=C1)OCC[C@@H]2OCC3=C(ON=C3C)C4CC4,YUMKZCUJWLFKFE-IBGZPJMESA-N
|
| 37328 |
+
FB0F8B5E9A288616_2075DC7825B913E5_6028_UN,N(C13CC2CC(C1)CC(C2(F)F)C3)[S](C4=C(C=CC(=C4)Cl)I)(=O)=O,JVUFSBIUEMAPHB-UHFFFAOYSA-N
|
| 37329 |
+
FBE2D71D13B24CE2_70C6020FB17A3A40_6029_UN,N(C1C2CC3CC1CC(C2)(F)C3)[S](C4=C(C=C(F)C=C4)N=[N]#N)(=O)=O,MGVFISRCKRFMGR-UHFFFAOYSA-N
|
| 37330 |
+
FE1D74E44DDBCB9C_D53BFF88A578A5B8_6041_UN,C[N]1N=C(C=C1NC2=CC3=C(C=C2)OC(=N3)CN(C)C)C4CCCC4,BHMCKNVFCFSZDR-UHFFFAOYSA-N
|
| 37331 |
+
FE299917778E861B_19E20D98A1B4AD55_6041_UN,CN(C)C1=CC2=C(C=C1)N=C([NH]2)NC3=CC5=C(C=C3)OC4(CCCC4)O5,IKNXQXUNZUXZPU-UHFFFAOYSA-N
|
| 37332 |
+
FFF7308BD155F098_5B2920327613A300_6039_UN,O(CC1(CCC1)C(F)F)CC2=CC(=CC=C2)CN3CCOCC3,LBCJVGZSXJWFTH-UHFFFAOYSA-N
|
| 37333 |
+
rxn:1:31657:41322,COC1(c2cn(CC=Cc3ccc(N4CCNCC4)cc3)nn2)CCC2(CC1)OCCO2,JWTQQTCSISNZRM-UHFFFAOYSA-N
|
| 37334 |
+
rxn:1:31657:52550,COC1(c2cn(CCC3CC3c3cccc4c3OCO4)nn2)CCC2(CC1)OCCO2,IOIUZRDUOSAFBJ-UHFFFAOYSA-N
|
| 37335 |
+
rxn:1:31657:52552,COC1(c2cn(CCC3CC3c3ccc4c(c3)OCO4)nn2)CCC2(CC1)OCCO2,CSHOPMXIYNGGIT-UHFFFAOYSA-N
|
| 37336 |
+
rxn:1:31657:52554,COC1(c2cn(CCC3CC3c3ccc4c(c3)CCO4)nn2)CCC2(CC1)OCCO2,YMERFXLBXRRCKU-UHFFFAOYSA-N
|
| 37337 |
+
rxn:1:31657:52606,COC1(c2cn(CCC3CC3c3ccc4c(c3)OCCO4)nn2)CCC2(CC1)OCCO2,MYBVCCMVBBJCRC-UHFFFAOYSA-N
|
| 37338 |
+
rxn:1:31657:53065,COC1(c2cn(CCC3CC3c3ccc4c(c3)OCCCO4)nn2)CCC2(CC1)OCCO2,FDSKHZQQGSTZAC-UHFFFAOYSA-N
|
| 37339 |
+
rxn:1:31657:53115,COC1(c2cn(CCC3CC3c3cccc(N4CCCC4)c3)nn2)CCC2(CC1)OCCO2,SYTIQUXXDDDASW-UHFFFAOYSA-N
|
| 37340 |
+
rxn:1:31657:53119,COC1(c2cn(CCC3CC3c3ccc(N4CCCC4)cc3)nn2)CCC2(CC1)OCCO2,FFAUZJNLJVCJIM-UHFFFAOYSA-N
|
| 37341 |
+
rxn:1:31657:53185,COC1(c2cn(CCC3CC3c3cccc(N4CCCCC4)c3)nn2)CCC2(CC1)OCCO2,PKYGWHNCZZICBZ-UHFFFAOYSA-N
|
| 37342 |
+
rxn:1:31657:53186,COC1(c2cn(CCC3CC3c3ccc(N4CCCCC4)cc3)nn2)CCC2(CC1)OCCO2,QUUQICIVLKFVDH-UHFFFAOYSA-N
|
| 37343 |
+
rxn:1:31657:56761,COC1(c2cn(CC3CC3c3cccc(N4CCCCC4)c3)nn2)CCC2(CC1)OCCO2,RGFJFSWSPSGQCG-UHFFFAOYSA-N
|
| 37344 |
+
rxn:1:31657:56762,COC1(c2cn(CC3CC3c3ccc(N4CCCCC4)cc3)nn2)CCC2(CC1)OCCO2,IMRDAXNEABAFAJ-UHFFFAOYSA-N
|
| 37345 |
+
rxn:1:3278:64462,O=C1CC(Cn2cc(C34CC5CC(CC(Br)(C5)C3)C4)nn2)CN1c1ccc([N+](=O)[O-])c2ccccc12,SGIVRFBOZDWDOK-UHFFFAOYSA-N
|
| 37346 |
+
rxn:1:42905:29569,COc1ccc2c(c1)CCC1C2=CCC2(C)C1CCC2(O)c1cn(C2(c3ccc(F)cc3)CCCC2)nn1,DLUPKJOYHNHFNW-UHFFFAOYSA-N
|
| 37347 |
+
rxn:2:100415:132036,COCC12CC(CNC(CCN3CCOCC3)c3ccc4c(c3)OCCO4)(CO1)C2,HANYYFKLPSVYFA-UHFFFAOYSA-N
|
| 37348 |
+
rxn:2:101454:113899,CCC(Nc1onc(CN(C)C)c1C)C1CCCCN1C1CCCCC1,WKURYMQVGRVQBW-UHFFFAOYSA-N
|
| 37349 |
+
rxn:2:102181:122356,COCCN1CCOc2ccc(CNC3CCC(C4(C5CCOCC5)COC4)CC3)cc2C1,WHMVGFSBGWSYHA-UHFFFAOYSA-N
|
| 37350 |
+
rxn:2:102560:122103,COC1(CCNC(c2cccc(CN3CCSCC3)c2)C2CC2)COC1,LNNGEZUVKZTZCO-UHFFFAOYSA-N
|
| 37351 |
+
rxn:2:104660:116028,Cc1nc(N(C)C)ncc1CNC1CCCCCC1CN(C)CC1CC1,KCVOABZGAOIWPX-UHFFFAOYSA-N
|
| 37352 |
+
rxn:2:104873:132036,COCC1CCCCN1CCNC(CCN1CCOCC1)c1ccc2c(c1)OCCO2,UWMCJXXVIGDTTJ-UHFFFAOYSA-N
|
| 37353 |
+
rxn:2:104873:160157,COCC1CCCCN1CCNC(CCN1CCC(C)CC1)c1ccc2c(c1)OCCO2,PDGOWPFRGVUGAW-UHFFFAOYSA-N
|
| 37354 |
+
rxn:2:105481:130353,CC1CC(CN(C)CCNC2CCN3CCC[C@@H]3C2)C1,VAQHITKVDPQNLL-VKFIQFPUSA-N
|
| 37355 |
+
rxn:2:105481:134875,CC1CC(CN(C)CCNC2CCCN3CC[C@@H](C)C[C@@H]3C2)C1,FTVIAHPPQYAIBX-NSQHJMLUSA-N
|
| 37356 |
+
rxn:2:105481:75104,CC1CC(CN(C)CCNC2CCCN3[C@@H](CCC[C@H]3C)C2)C1,SYGZNLPZRDFKGU-PLIRHKCMSA-N
|
| 37357 |
+
rxn:2:108894:132036,COC12CC(CNC(CCN3CCOCC3)c3ccc4c(c3)OCCO4)(C1)C2,JSAUCGRCFYADLE-UHFFFAOYSA-N
|
| 37358 |
+
rxn:2:109191:140418,Cc1nn(CCN(C)C)c(NC2CCCN3CCCC3C2)c1C1CC1,CBSFKSRGDDCBGA-UHFFFAOYSA-N
|
| 37359 |
+
rxn:2:109488:113899,CCC(Nc1onc(CN(C)C)c1C)C1CCCN(C2CCCCC2)C1,REEFDLRMVYSHPY-UHFFFAOYSA-N
|
| 37360 |
+
rxn:2:109926:158038,COCOc1ccc(C)cc1-c1cccc2c1C(NCC1(N3CCSCC3)CCOCC1)CO2,QYUBJAUARFOFKK-UHFFFAOYSA-N
|
| 37361 |
+
rxn:2:111089:123953,CCN(CC)C1(CNC2CCCC(CN(C)C)C2)CCC(C)CC1,DKXIBZFHRYWKIP-UHFFFAOYSA-N
|
| 37362 |
+
rxn:2:111089:132091,CC1CC(C)CN(CCCNC2CCCC(CN(C)C)C2)C1,NCECTJTUGQQYGM-UHFFFAOYSA-N
|
| 37363 |
+
rxn:2:112596:128190,COc1cc2c(c3c1C(NCCC1CCCCN1CC1CSC1)CC(C)O3)CCO2,MLMIOAUIMIMGAT-UHFFFAOYSA-N
|
| 37364 |
+
rxn:2:113899:101454,CCC(Nc1onc(CN(C)C)c1C)C1CCCCN1C1CCCCC1,WKURYMQVGRVQBW-UHFFFAOYSA-N
|
| 37365 |
+
rxn:2:113899:109488,CCC(Nc1onc(CN(C)C)c1C)C1CCCN(C2CCCCC2)C1,REEFDLRMVYSHPY-UHFFFAOYSA-N
|
| 37366 |
+
rxn:2:113899:125496,CCC(Nc1onc(CN(C)C)c1C)C1CCCN(C2CCCC2)C1,HCYGTGFZQVXZFE-UHFFFAOYSA-N
|
| 37367 |
+
rxn:2:113899:84930,CCC(Nc1onc(CN(C)C)c1C)C1CCCN1C1CCCCC1,XATBYCRCVKRXBT-UHFFFAOYSA-N
|
| 37368 |
+
rxn:2:113899:99191,CCC(Nc1onc(CN(C)C)c1C)C1CCN(C2CCCCC2)C1,LGWWJUYHBQGXQW-UHFFFAOYSA-N
|
| 37369 |
+
rxn:2:115914:113614,CCN(CCNC1CC(C(C)(C)OC)C1)[C@H]1CCCN(C)C1,NNSDNSZQRKLTRG-JCYILVPMSA-N
|
| 37370 |
+
rxn:2:115996:132798,CCC(C)N(CC)C1CCCCCC1N[C@H]1C[C@@H](N(C)C)C1,CPRMBTBTDQGFRV-IWTAKMAVSA-N
|
| 37371 |
+
rxn:2:116244:121694,Cc1nc(NCC2CCCN2CCN(C)C)c(N(C)C2CCCCCC2)[nH]1,JIUBARXRNDLOIG-UHFFFAOYSA-N
|
| 37372 |
+
rxn:2:120275:122103,COC1(CCNC(c2ccc(CN3CCSCC3)cc2)C2CC2)COC1,XYFBOQMJAMKBSY-UHFFFAOYSA-N
|
| 37373 |
+
rxn:2:121710:76668,CCN1CCC(NC2(C)CCCN(CCN(C)C)C2)C(C)C1,OKIGIPMWEKYOFL-UHFFFAOYSA-N
|
| 37374 |
+
rxn:2:122103:102560,COC1(CCNC(c2cccc(CN3CCSCC3)c2)C2CC2)COC1,LNNGEZUVKZTZCO-UHFFFAOYSA-N
|
| 37375 |
+
rxn:2:122103:120275,COC1(CCNC(c2ccc(CN3CCSCC3)cc2)C2CC2)COC1,XYFBOQMJAMKBSY-UHFFFAOYSA-N
|
| 37376 |
+
rxn:2:122103:76207,COC1(CCNC(c2cccc(CN3CCCCC3)c2)C2CC2)COC1,QIGYNPXUKAONQN-UHFFFAOYSA-N
|
| 37377 |
+
rxn:2:122489:148300,COCc1nc(C2CCCCC2)sc1CNC(c1ccc2c(c1)COCO2)c1ccc2c(c1)COCO2,CBOHNRSMBMZDCZ-UHFFFAOYSA-N
|
| 37378 |
+
rxn:2:122663:122103,COC1(CCNC(c2ccc(CN3CCCCC3)cc2)C2CC2)COC1,ZPZYWKHDLWVNHD-UHFFFAOYSA-N
|
| 37379 |
+
rxn:2:123440:107592,CN1CCC2CC(NCC#Cc3ccsc3COC3CCCCC3)CCC2C1,SLOUKOFTDVLVMH-UHFFFAOYSA-N
|
| 37380 |
+
rxn:2:123953:111089,CCN(CC)C1(CNC2CCCC(CN(C)C)C2)CCC(C)CC1,DKXIBZFHRYWKIP-UHFFFAOYSA-N
|
| 37381 |
+
rxn:2:125454:133317,COCC(CC1CCOCC1)NCCC1CCCCN1c1nc2ccccc2o1,KKVWHLTXQAKIJQ-UHFFFAOYSA-N
|
| 37382 |
+
rxn:2:127077:74708,COCC12COC(CNC3CCN(CCc4ccc5c(c4)CCCO5)CC3)(C1)C2,AVYNEYRGKDGPJU-UHFFFAOYSA-N
|
| 37383 |
+
rxn:2:128544:127077,COCC12COC(CNC3CCCC3CCc3ccc4c(c3)OCCO4)(C1)C2,XWJVFCULYHLLGP-UHFFFAOYSA-N
|
| 37384 |
+
rxn:2:128918:122489,COCc1nc(C2CCCCC2)sc1CNC(c1ccc2c(c1)CCCO2)C1COCCO1,LUJJBDABFUXVKF-UHFFFAOYSA-N
|
| 37385 |
+
rxn:2:131793:141384,CC1CCCCC1N(C)Cc1cccnc1NC1CCCC(N(C)C)C1,SVSPAPZTCMREPP-UHFFFAOYSA-N
|
| 37386 |
+
rxn:2:137501:140129,COC1(c2noc(CNC3c4ccccc4OCC3CN3CCOCC3)n2)CCCC1,HCVSYCWRJSIBTG-UHFFFAOYSA-N
|
| 37387 |
+
rxn:2:140418:109191,Cc1nn(CCN(C)C)c(NC2CCCN3CCCC3C2)c1C1CC1,CBSFKSRGDDCBGA-UHFFFAOYSA-N
|
| 37388 |
+
rxn:2:140418:87753,Cc1nn(CCN(C)C)c(NC2CCN(CC3CCC3)C2)c1C1CC1,NWUJADAJDGNJOW-UHFFFAOYSA-N
|
| 37389 |
+
rxn:2:140418:94193,Cc1nn(CCN(C)C)c(NCC2CCCN2CC2CC2)c1C1CC1,JDXUOZVPLGJEDI-UHFFFAOYSA-N
|
| 37390 |
+
rxn:2:159894:68597,COC1CCC2(CC1)CC(NCC1(c3nc(C)c(-c4cccs4)[nH]3)CCC1)CCO2,OZXXROYVSAUAMS-UHFFFAOYSA-N
|
| 37391 |
+
rxn:2:162035:68597,COC1CCC2(CC1)CC(NCCc1nc(C3(c4ccccc4)CCC3)no1)CCO2,ATDMHJBCEBSIJS-UHFFFAOYSA-N
|
| 37392 |
+
rxn:2:66725:67296,COc1ccc2c(c1)OCC2CCNC(C)c1ccc2c(c1)OCCOCCOCCO2,BFLDIKMUIFDSGD-UHFFFAOYSA-N
|
| 37393 |
+
rxn:2:67296:113440,CC1CC(COCCNC(C)c2ccc3c(c2)OCCOCCOCCO3)C1,DLSOQECFMWGRGL-UHFFFAOYSA-N
|
| 37394 |
+
rxn:2:67307:78879,COc1sc2c(c1CNC(CCN1CCCC1)c1ccc3c(c1)OCCO3)CCCO2,APGRYJMBCFVEGH-UHFFFAOYSA-N
|
| 37395 |
+
rxn:2:67640:77928,COCOc1cc2c(cc1C(C)NCC1(Cc3ccc4c(c3)OCCO4)CCCC1)CCO2,BACMGOZXKIPFOA-UHFFFAOYSA-N
|
| 37396 |
+
rxn:2:68597:159894,COC1CCC2(CC1)CC(NCC1(c3nc(C)c(-c4cccs4)[nH]3)CCC1)CCO2,OZXXROYVSAUAMS-UHFFFAOYSA-N
|
| 37397 |
+
rxn:2:68597:162035,COC1CCC2(CC1)CC(NCCc1nc(C3(c4ccccc4)CCC3)no1)CCO2,ATDMHJBCEBSIJS-UHFFFAOYSA-N
|
| 37398 |
+
rxn:2:69833:112299,COc1ccc2c(c1)C(NC1CCOC(c3ccc4c(c3)OCO4)C1)CC1(CCCC1)O2,AZTMSMWRPSWALT-UHFFFAOYSA-N
|
| 37399 |
+
rxn:2:69833:121118,COc1ccc2c(c1)C(NC1CCOC(c3ccc4c(c3)OCO4)C1)CC1(CCCCC1)O2,DNPAPNHEUOLARN-UHFFFAOYSA-N
|
| 37400 |
+
rxn:2:69985:127548,COc1ccc2c(c1)SCCC2NCC(C)CCN1CCN2CCCCC2C1,KMKXFOLEIIYBKO-UHFFFAOYSA-N
|
| 37401 |
+
rxn:2:71548:117001,COC1CCCCC1NCCN1CCC1c1ccc2c(c1)OCCCO2,KUSKMHDFPDKDDJ-UHFFFAOYSA-N
|
| 37402 |
+
rxn:2:71622:94499,CC(C)C1CCCCC1N[C@@H]1CCCN(CCN(C)C)C1,GLAXNORKXYCYHI-WWDZGPRUSA-N
|
| 37403 |
+
rxn:2:73364:78736,CC(C)C1(C)CCC(N[C@H]2CCCN(CCN(C)C)C2)CC1,NVTJSDMYHYTWRS-XBMUEBEBSA-N
|
| 37404 |
+
rxn:2:73364:94672,CCC(CN(CC)C1CCCCC1)N[C@H]1CCCN(CCN(C)C)C1,KQXWPTAULCVMEM-ANYOKISRSA-N
|
| 37405 |
+
rxn:2:74555:135575,CCCCCCN1CCC(N[C@]2(C)C[C@H](N(C)C)C2)CC1,RVKLCZDAJPNQFY-HDICACEKSA-N
|
| 37406 |
+
rxn:2:74708:127077,COCC12COC(CNC3CCN(CCc4ccc5c(c4)CCCO5)CC3)(C1)C2,AVYNEYRGKDGPJU-UHFFFAOYSA-N
|
| 37407 |
+
rxn:2:74872:109828,COCc1noc(C2(NC3CC([Si](C)(C)c4ccccc4)C34CCC4)CCCCCC2)n1,PPYKSSKMEUEVKQ-UHFFFAOYSA-N
|
| 37408 |
+
rxn:2:75104:105481,CC1CC(CN(C)CCNC2CCCN3[C@@H](CCC[C@H]3C)C2)C1,SYGZNLPZRDFKGU-PLIRHKCMSA-N
|
| 37409 |
+
rxn:2:76207:122103,COC1(CCNC(c2cccc(CN3CCCCC3)c2)C2CC2)COC1,QIGYNPXUKAONQN-UHFFFAOYSA-N
|
| 37410 |
+
rxn:2:76532:81729,COC1CCOC2(CCN(CCCNC3CC(Cc4ccc5c(c4)OCO5)C3)CC2)C1,COZUMLHETACGKB-UHFFFAOYSA-N
|
| 37411 |
+
rxn:2:76539:121821,CC(CCCN(C)C1CCCC1)N[C@@H]1CC[C@@H](N(C)C)C1,RATPURHOBGAIHZ-WOEZKJSCSA-N
|
| 37412 |
+
rxn:2:76668:121710,CCN1CCC(NC2(C)CCCN(CCN(C)C)C2)C(C)C1,OKIGIPMWEKYOFL-UHFFFAOYSA-N
|
| 37413 |
+
rxn:2:77346:128918,COc1ccc2c(c1)C(NC(c1ccc3c(c1)CCCO3)C1COCCO1)CC1(CCC1)O2,WEUHVKMNMUPUPA-UHFFFAOYSA-N
|
| 37414 |
+
rxn:2:78736:94499,CC(C)C1(C)CCC(N[C@@H]2CCCN(CCN(C)C)C2)CC1,NVTJSDMYHYTWRS-JLAWEPINSA-N
|
| 37415 |
+
rxn:2:78879:104873,COCC1CCCCN1CCNC(CCN1CCCC1)c1ccc2c(c1)OCCO2,BKYZDGKBXZXSPW-UHFFFAOYSA-N
|
| 37416 |
+
rxn:2:78888:85942,CCCN1CCC(C)N(C)C(CCNC2CC(OC)C23CCC3)C1,CGTVFEPEUDLOCR-UHFFFAOYSA-N
|
| 37417 |
+
rxn:2:79653:158038,COCOc1ccc(C)cc1-c1cccc2c1C(NCC1(N3CCCCCC3)CCOCC1)CO2,IVDFFNZFPKAGLL-UHFFFAOYSA-N
|
| 37418 |
+
rxn:2:80088:127817,COc1cc(CCNC(CC2=NCCO2)c2ccc3c(c2)OCO3)c(OC)c2c1CCC2,JCWBBMWVDQBSTF-UHFFFAOYSA-N
|
| 37419 |
+
rxn:2:80088:98120,COc1ccc2c(c1)OCCN(CCCNC(CC1=NCCO1)c1ccc3c(c1)OCO3)C2,OKRWHLDOKCBFMW-UHFFFAOYSA-N
|
| 37420 |
+
rxn:2:80263:103507,COc1cccc2c1CC1(CCCC1)C2NC(c1ccc2c(c1)CCCO2)C1COCCO1,ZXUMECGODGMOHI-UHFFFAOYSA-N
|
| 37421 |
+
rxn:2:80263:107164,COc1ccc2c(c1)OC1(CCCCC1)CC2NC(c1ccc2c(c1)CCCO2)C1COCCO1,NVJNPOKJTWRZTR-UHFFFAOYSA-N
|
| 37422 |
+
rxn:2:80427:109037,Cc1nn(CCN(C)C)c(NCC2CCCN2C2CCCC2)c1C1CCC1,IVGLIRKYPCLBEG-UHFFFAOYSA-N
|
| 37423 |
+
rxn:2:80427:109191,Cc1nn(CCN(C)C)c(NC2CCCN3CCCC3C2)c1C1CCC1,KRFPTAIWLQYXKU-UHFFFAOYSA-N
|
| 37424 |
+
rxn:2:81423:112596,COc1cc2c(c3c1C(NCCC1CC(c4ccc5c(c4)OCO5)C1)CC(C)O3)CCO2,YPWAETRARGDMJZ-UHFFFAOYSA-N
|
| 37425 |
+
rxn:2:82033:84473,COc1cc(C2CC2CCNC2CC3CCCCN3C2)cc2c1OCO2,AVHXNOBWQFGVHV-UHFFFAOYSA-N
|
| 37426 |
+
rxn:2:83349:104523,FC1CC(OCc2ccccc2)CCC1NCC1OCC2(CCCCC2)c2ccsc21,NOUBTEXMAWNUSW-UHFFFAOYSA-N
|
| 37427 |
+
rxn:2:84580:101247,CC1CC(C)CN(CC2CCCC(NCC=NN(C)C)C2)C1,IDWVRAOXUOQIOZ-UHFFFAOYSA-N
|
| 37428 |
+
rxn:2:84930:113899,CCC(Nc1onc(CN(C)C)c1C)C1CCCN1C1CCCCC1,XATBYCRCVKRXBT-UHFFFAOYSA-N
|
| 37429 |
+
rxn:2:85798:94499,CCC1CCCCCN1CCC(C)N[C@@H]1CCCN(CCN(C)C)C1,SMUDHRKNOAAEJG-NYLDSWQDSA-N
|
| 37430 |
+
rxn:2:87430:119423,CCN1CCC(CNC2CCCc3c2cc(C)n3CCN(C)C)CC1,GVBGACLNUSSNKL-UHFFFAOYSA-N
|
| 37431 |
+
rxn:2:87639:87728,CCN(CC)C1(CNC2CC(CN(C)C)C2)CCCCCC1,SGKHSNCMQWJYOP-UHFFFAOYSA-N
|
| 37432 |
+
rxn:2:89318:141384,CCN(CCNC1CCCC(N(C)C)C1)[C@@H]1CCCN(C)C1,WEFMHLVXZGUZSL-DAWZGUTISA-N
|
| 37433 |
+
rxn:2:90375:83910,CN(CCC1CCCN(C)C1)CNC1CC2CCC1O2,KLMVOIKHFIDXJS-UHFFFAOYSA-N
|
| 37434 |
+
rxn:2:91323:154483,COc1ccsc1-c1cccc2c1C(NCC1COCCOCCOCCOCCO1)CO2,GRWGIBOZYGOVAS-UHFFFAOYSA-N
|
| 37435 |
+
rxn:2:91323:164960,COc1ccsc1-c1ccc2c(c1)C(NCC1COCCOCCOCCOCCO1)CO2,GUDVDDIGWDFXML-UHFFFAOYSA-N
|
| 37436 |
+
rxn:2:94499:109761,CC(C)CN1CCC(N[C@@H]2CCCN(CCN(C)C)C2)C1,CBSKRIIUEBGGPO-TZHYSIJRSA-N
|
| 37437 |
+
rxn:2:97205:105481,CC1CC(CN(C)CCNC2CCC3CCCN3CC2)C1,SINFKXBLAGXQLQ-UHFFFAOYSA-N
|
| 37438 |
+
rxn:2:98120:102181,COc1ccc2c(c1)OCCN(CCCNC1CCC(C3(C4CCOCC4)COC3)CC1)C2,IDGYWFRKTNMEKK-UHFFFAOYSA-N
|
| 37439 |
+
rxn:2:98519:96805,COC1COc2ccc(C(C)C)cc2C1NCc1cc(COC2CCCCCC2)c(C)o1,GJNZGCQNRZXODG-UHFFFAOYSA-N
|
| 37440 |
+
rxn:2:99191:113899,CCC(Nc1onc(CN(C)C)c1C)C1CCN(C2CCCCC2)C1,LGWWJUYHBQGXQW-UHFFFAOYSA-N
|
| 37441 |
+
rxn:2:99287:158038,COCOc1ccc(C)cc1-c1cccc2c1C(NCC1(N3CCOCC3)CCCC1)CO2,HLZFJRBMBNYNDU-UHFFFAOYSA-N
|
| 37442 |
+
rxn:2:99904:138252,CCN(C)C1CCCCCC1NCCC1C(c2cccn2C)C1(F)F,ZLVAJABTWQJYHQ-UHFFFAOYSA-N
|