Added 216 molecules from epoch 15593 for P23975
Browse files- P23975_molecules.csv +216 -0
P23975_molecules.csv
CHANGED
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@@ -15037,3 +15037,219 @@ FA2A841ABD480532_C071AC09B73CA0F5_6035_UN,O(CC1=C[N](N=N1)C2CNC2)C3=C(C(=CC=C3)B
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| 15037 |
FBE0C65EE56A17ED_28F6EABD8952FBC7_6039_UN,O(CC2COC1(CCCC1)O2)CC3CN=C(O3)C4CC4,NRWWDIKICGCBRM-UHFFFAOYSA-N
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| 15038 |
FBE223ABDC3525B9_9A08122125970233_6029_UN,CC1=CC(=C(C(=C1)C)[S](=O)(=O)ON[S](C2=CSC(=C2)C)(=O)=O)C,GGBXYBNKGUZLNI-UHFFFAOYSA-N
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| 15039 |
FE57086F40FB55E4_82B3340DE640ADEC_6038_UN,C[S](=O)(=O)CC1=C(C=C(C=C1)F)CNC(C2CN(C(C)=O)C2)=O,QUJMYLVTMDQFKV-UHFFFAOYSA-N
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| 15037 |
FBE0C65EE56A17ED_28F6EABD8952FBC7_6039_UN,O(CC2COC1(CCCC1)O2)CC3CN=C(O3)C4CC4,NRWWDIKICGCBRM-UHFFFAOYSA-N
|
| 15038 |
FBE223ABDC3525B9_9A08122125970233_6029_UN,CC1=CC(=C(C(=C1)C)[S](=O)(=O)ON[S](C2=CSC(=C2)C)(=O)=O)C,GGBXYBNKGUZLNI-UHFFFAOYSA-N
|
| 15039 |
FE57086F40FB55E4_82B3340DE640ADEC_6038_UN,C[S](=O)(=O)CC1=C(C=C(C=C1)F)CNC(C2CN(C(C)=O)C2)=O,QUJMYLVTMDQFKV-UHFFFAOYSA-N
|
| 15040 |
+
01C8E6D5D4589876_ABB15C19D569B0ED_6038_DP,N3CC(COC(=O)CC1=CC2=C(C=C1)OC=N2)(C3)C#N,FAPXYRIDIXLSKG-UHFFFAOYSA-N
|
| 15041 |
+
0294BDA770EE6EC4_5D4413D59F0544CC_7019_UN,CC3(C)CCCC(C=CC1CCCCC2=C1C=CC=C2)C3,VIXMXSJKGZHADE-UHFFFAOYSA-N
|
| 15042 |
+
02A14129BB8854DF_AFF2CA7D5F919C70_6039_DP,O(C2CN(CC1=CC=C(C=C1)F)C2)C[C@H]3CNCC(O3)(C)C,CKUPPNYLIPFTSI-OAHLLOKOSA-N
|
| 15043 |
+
046236A494F91837_0FEF675826BA238A_6038_DP,N2CCCCC(NC(=O)C(=CC1=CC(=CC=C1)F)F)CC2,RQTBTIVZHXTEKB-UHFFFAOYSA-N
|
| 15044 |
+
064A8EC694A276B8_10E95AEFB0CB8213_6038_DP,N3CC(COC(C1=N[N](C)C(=C1)CC2=CC=CC=C2)=O)(C3)C#N,KDLONEVRSICYKI-UHFFFAOYSA-N
|
| 15045 |
+
082FE29B9B42028D_217E75DA3DEC15DA_6038_DP,N2CC(COC(C1=CC=C(OCCN(C)C)C=C1)=O)(C2)C#N,QTYSAYJGWYPPPK-UHFFFAOYSA-N
|
| 15046 |
+
09CE6BC85FDE273C_E183FC5AAC424D9A_7017_UN,NC1=C(C=C(C=C1)[S](=O)(=O)N2CCNCC2C3=CC=CC=C3)Cl,OJLZRYVSWLBROM-UHFFFAOYSA-N
|
| 15047 |
+
0AE5F6717B27C9ED_67B298C574F0D1FE_6034_UN,CC1=C(C=C(C=C1)CC2=CN(C(=N)S2)CC3CCNC3CC)Cl,YIYONKLMRKFEID-UHFFFAOYSA-N
|
| 15048 |
+
0B24C24F82597E95_ED876FDD41DBC91A_6041_UN,O=[N](=O)C2=C(C=C1OCCOC1=C2)NC3=C(C=CC(=C3F)C)F,JOMUFDXJBOZXTG-UHFFFAOYSA-N
|
| 15049 |
+
0BA1CD0E8BE3B829_8322DBEA20D8164D_6038_DP,N3CC(COC(C2=C1C=CC=C[N]1N=C2N)=O)(C3)C#N,WMQSAIKPNDBAQJ-UHFFFAOYSA-N
|
| 15050 |
+
0C331202734055C5_BAE6348587C9D0B7_6039_DP,O(C2CN(CC1=CC=C(C=C1)F)C2)C[C@H]3NC(O[C@@H]3C)(C)C,QPVPYDSPBLCWNR-MLGOLLRUSA-N
|
| 15051 |
+
0CAA1E147FCDD4D7_17848555958280AC_6035_UN,O(C(C1CNCCC1)C2=CC=C(C=C2)Br)C4=C3NC(OC3=CC=C4)=S,YVDOTKDFRTVMRW-UHFFFAOYSA-N
|
| 15052 |
+
0E7DFE8917F56835_A435BCDF64BE56FC_6038_DP,N3CC(COC(=O)C1=COC(=N1)C2CCNCC2)(C3)C#N,QIQPMVOVQJUFGY-UHFFFAOYSA-N
|
| 15053 |
+
0EF49AD8FD03491A_EF2619D8638EB4F8_6038_DP,N3CC(COC(C1=NC=C([N]1C)CC2=CC=CC=C2)=O)(C3)C#N,RKPDSYFUOONAQV-UHFFFAOYSA-N
|
| 15054 |
+
0F3D8C2D843F0C43_9B5D646D6A98A293_6038_DP,N3CC(COC(C1=N[NH]C(=C1C)C2=CC=CC=C2)=O)(C3)C#N,VFHPTDDPISDEKZ-UHFFFAOYSA-N
|
| 15055 |
+
0FAB7B983AE4BA02_C6E0BE3433A1118D_6038_DP,N3CC(COC(C2=CC(N(C1=CC=C(C)C=C1)N2)=O)=O)(C3)C#N,WIHGPUMMWZAJLQ-UHFFFAOYSA-N
|
| 15056 |
+
11AB47ABDC814BBC_83CC7547C8FD792C_6041_UN,C2(=C1C(NNC1=CC=C2)=O)NC3(CC3)C4=CC5=C(C=C4)OCO5,XHMLUOQABSMMMQ-UHFFFAOYSA-N
|
| 15057 |
+
12A49F12B6B5E77F_58DF8FE5A650A9BC_6038_DP,N3CC(COC(=O)C1=C(N=CC=C1)SCC2=CC=C(C=C2)F)(C3)C#N,ZVKVDYVBLYKFOM-UHFFFAOYSA-N
|
| 15058 |
+
139823909C310CA7_302C6515E90AB907_6038_DP,N3CC(COC(C2=CC1=C(N=C(OC)C=C1)C=C2)=O)(C3)C#N,WIEAEJWTYFQCKR-UHFFFAOYSA-N
|
| 15059 |
+
13D02103BC1C7FB0_41D05FD8BCF51229_6038_DP,N3CC(COC([C@]12CCCN[C@@H]1CCCC2)=O)(C3)C#N,GKHFNGKQXBVGEY-IUODEOHRSA-N
|
| 15060 |
+
15B6E02017557F06_BB0B7C6E28E46B19_6038_DP,N2CC(COC(C1CCC([S](C)(=O)=O)CC1)=O)(C2)C#N,DKSBKQBUBZPOSI-UHFFFAOYSA-N
|
| 15061 |
+
162D0BE673C01A11_C2F80D6CB471ED6A_6029_UN,C2COCC1=C(C=CC=C1)N2[S](C3=CC(=CC(=C3)CBr)F)(=O)=O,CSJJIEMNBSGOQR-UHFFFAOYSA-N
|
| 15062 |
+
1681E742A68FBAF0_EECCC8B3A985F767_6003_UN,O(C1=C(C2=C(C=C1)[NH]C=C2)[N](=O)=O)C3=CC=C4C(=C3)OCCNC4=O,IOJGPWVCZCVZHS-UHFFFAOYSA-N
|
| 15063 |
+
184EC385A87C6B44_D19C1B8F91122D96_6038_DP,N3CC(COC([C@@H]1[C@H](CN(C(C)(C)C)CC1)C2=C(C=C(C=C2)F)F)=O)(C3)C#N,BYBLHAUGAFTSCB-DLBZAZTESA-N
|
| 15064 |
+
18B816B643D388EE_48A153C76BF74DDE_6038_DP,N3CC(COC(C(C1=CC=C(C)C=C1)C2CC2)=O)(C3)C#N,DPEJSHJBVCDPMV-UHFFFAOYSA-N
|
| 15065 |
+
1A525D82F13E4560_494653FAA422DECD_6038_DP,N2CC(COC(C1(C(OCC)=O)CCCNC1)=O)(C2)C#N,GIJWQNORWWPUNW-UHFFFAOYSA-N
|
| 15066 |
+
1B7AB4BA0D6AF0F7_9B5D7ABD451CF513_7022_UN,C1(=C(C=CC(=C1)Cl)F)N[C@H]3[C@H](C2=C([N](N=C2C)C)C)OCC3,OXFHVHDSBVWBOB-CZUORRHYSA-N
|
| 15067 |
+
1BA81AAE1AE27C58_00399DAE496FB18A_6038_DP,N3CC(COC(C2CN([C@@H](C)C1=CC=C(C=C1)F)C(C2)=O)=O)(C3)C#N,MPEUITWHTFDFHF-NBFOIZRFSA-N
|
| 15068 |
+
1C0590F202C34C7C_69F3657046059A68_6038_DP,N3CC(COC(C[C@H]1NC2=C(C1)C=CC=C2)=O)(C3)C#N,HDZBQTGKLDLXIS-LBPRGKRZSA-N
|
| 15069 |
+
1E26EEAAD1CDFF8C_A4307B7986100C15_6038_DP,N4CC(COC(=O)CC1=C[NH]C2=C1C(=CC=C2)OCC3=CC=CC=C3)(C4)C#N,HLUPSIJAWILBIB-UHFFFAOYSA-N
|
| 15070 |
+
204F0530AC3C8568_B77C08C948A0E39F_6039_DP,O(C1(CC1)C2=CC=C(C=C2)F)C[C@H]3NC(O[C@@H]3C)(C)C,MVWYNUKGYZFJRR-BXUZGUMPSA-N
|
| 15071 |
+
20866D0E7F007A6C_E840B1F40EA46B8B_6034_UN,O=[N](=O)C1=CC2=C(C=C1)C=CN2CC4COC3=C(C=C(N)C=C3)N4,ANWZZNXRUVBYKQ-UHFFFAOYSA-N
|
| 15072 |
+
20F9491CC48ACA10_676FA023A6DB99E3_7019_UN,CC1(C)CCCCC1C=CCC2CCCC3=C2C=CC=C3,HVOAFXHSOCBFMP-UHFFFAOYSA-N
|
| 15073 |
+
21B5DD985D26BEC9_CC5AAB46E2D40A21_6038_DP,N2CC(COC(C1=C(C)C(=CC=C1F)[N](=O)=O)=O)(C2)C#N,QEUMMJFNYJTEQG-UHFFFAOYSA-N
|
| 15074 |
+
23ACB05C0F00B8E4_C51BCAC5166BE369_6038_DP,N4CC(COC(=O)[C@@H]1C[C@]12CCCC3=C2C=CC=C3)(C4)C#N,QFTGWPIMIRPTFO-YJBOKZPZSA-N
|
| 15075 |
+
23FE8B88C6795E63_5B1157947E6650AF_6038_DP,N2CC(COC(=O)C1=C(C(=C(C=C1)C#N)F)Br)(C2)C#N,CYGFGGTWQPFWCS-UHFFFAOYSA-N
|
| 15076 |
+
242C969D74E2C753_77985E45D1C758C2_6038_DP,N2CCCC(NC(=O)C(=CC1=CC(=CC=C1)F)F)CC2,MHIHEWMVUIVBQI-UHFFFAOYSA-N
|
| 15077 |
+
2609C2C32BC25F7C_5725C5D5F341F8BB_6038_DP,N3CC(COC(C2=CC1=C([NH]C=C1C)N=C2)=O)(C3)C#N,KPMGRYWWUIFLJR-UHFFFAOYSA-N
|
| 15078 |
+
2780A51E3CC0926E_BA4D1651661115A0_6041_UN,FC1=C(C(=CC=C1)NC3C[C@H]2C(C)([C@H]2C3)C)OC4CC4,NQCBNRCTHZXYRK-VGPLMAKISA-N
|
| 15079 |
+
287F535AB3AE0D4C_D1ECBCA627D721CF_7009_UN,N([S](=O)(=O)C1(CC=C)CC1)C(=O)C#CC2=C(C=CC=C2)Cl,VJZHSWGJMYYFAQ-UHFFFAOYSA-N
|
| 15080 |
+
28BEFCC9FCE62190_46B0C3F72F0143DA_6038_DP,N3CC(COC(=O)C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)(C3)C#N,CFYFLGJZHGWNEL-UHFFFAOYSA-N
|
| 15081 |
+
296B42127D07A3E6_CECB17C8BCA69DFF_7019_UN,CC4(C=CC1CCC(CC1)C2=CC=CC=C2)CC3OC3C4,BGEWASIQVWQQMG-UHFFFAOYSA-N
|
| 15082 |
+
2AB728DAB963ABBE_5A40AA5C7129FC9F_6038_DP,N3CC(COC(C2CCC1(CC1C(O)=O)C2)=O)(C3)C#N,DPWCKMQDIVTWDS-UHFFFAOYSA-N
|
| 15083 |
+
2EC28D3B6683651A_881B2383EC905DDE_6038_DP,N4CC(COC(=O)[CH]3C[C]1(C[CH](C1)OCC2=CC=CC=C2)C3)(C4)C#N,FQGMIRUJLJLQGP-UHFFFAOYSA-N
|
| 15084 |
+
325D64904DD01E7E_B20A586F67BB65A6_6026_UN,O=[N](=O)C1=CC2=C(C=C1)[NH]C=C2[S](=O)(=O)N3CCOC4C3COC5=C4C=CC=C5,FIXQNOXYIPORRT-UHFFFAOYSA-N
|
| 15085 |
+
3552BFFE855E512C_CBFB5C543A1ADB0F_6034_DP,CC1=C(C=C(C=C1)CC2=CN(C(=N)S2)CC3CNCC(C3)(C)C)Cl,BHEBRQXWKNGKST-UHFFFAOYSA-N
|
| 15086 |
+
36408171EACCD08C_38945BB9077938C1_6003_UN,O(C1CSC1)C2=C(C=CC(=C2[Si](C)(C)C)F)C(F)(F)F,FVRPMNOMIREXDS-UHFFFAOYSA-N
|
| 15087 |
+
37B2FB8B261EED2E_1D489739E78734C8_7019_UN,CC1(C)CCCCC1C=CC2CCCC3=C2C=CC=C3,GKXOQMJZSXEJKF-UHFFFAOYSA-N
|
| 15088 |
+
37F582E4FBDABA0B_513FBFC9E09D3955_6034_UN,NC1=CC(=O)N(C(=O)N1C2CC2)C[C@H]3[C@@H](CNC3)C4=CC(=CC=C4)F,LXGKAJOMRUEICI-WFASDCNBSA-N
|
| 15089 |
+
3A26B07524817411_95D41249E208ADC5_6004_UN,C1(=CC=C(C=C1)[S](=O)C2CNCC2)C3=C(C=CC4=C3OCO4)F,CAURSSBWVKTTFI-UHFFFAOYSA-N
|
| 15090 |
+
3AD92C59572CA3EA_E11107F7519FF547_7022_UN,C1(=C(C=C(C=C1)F)Cl)N[C@H]3[C@H](C2=C([N](N=C2C)C)C)OCC3,YGHCVERQTNBOGU-GDBMZVCRSA-N
|
| 15091 |
+
3B61384AAAFF87A7_9BCFB06FEFB3EC2A_6038_DP,N3CC(COC(C2=CN=C(C1(OC)CCOCC1)C=C2)=O)(C3)C#N,GFMPKKGDJOFBIW-UHFFFAOYSA-N
|
| 15092 |
+
3BFBED758D59FF90_6DD8789CB40752CA_6038_DP,N3CC(COC(=O)C1=C(C=C(C=C1)OC2CCCCO2)F)(C3)C#N,XXXPBRZHZCETMU-UHFFFAOYSA-N
|
| 15093 |
+
3C6A256B26CF39D8_D3910BC250C762E0_6006_UN,O=[N](=O)C2=C1OCCC1=CC(=C2)C3=CC=CC4=C3[N](C)C=C4,KAESLAFOYHVCJE-UHFFFAOYSA-N
|
| 15094 |
+
3CC568D846CBAC7A_534A1853B29C9A37_6041_DP,CC1(C)CCSC2=C1C=C(C=C2)NCC3(CCNC3)C,DFWYGCUEWYSFFL-UHFFFAOYSA-N
|
| 15095 |
+
3EA677CF26091AAD_2517EE93DBC9231B_6004_UN,C1(=CC=C(C=C1)[S](=O)C2CNCC2)C3=CC4=C(C=C3)OC(=O)N4,PDUPXBLDVSVENM-UHFFFAOYSA-N
|
| 15096 |
+
3EAD401B2F119721_4E35E52B606709C7_7019_UN,FC(F)C(CC=CC1CCSC1(C)C)C2=CC=CC=C2,DRKRWMGYDBKBJT-UHFFFAOYSA-N
|
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