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387 SMILES Strings for Nischarin

Compound NameSMILES String
BDBM7966 NCCc1cnc[nH]1
BDBM21398 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
BDBM22913 NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12|
BDBM22914 S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
BDBM22869 CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
BDBM22893 CN\C([CH-][N+]([O-])=O)=[NH+]/CCSCc1ccc(CN(C)C)o1
BDBM30712 Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
BDBM31046 Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|
BDBM81790 CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
BDBM81804 Clc1cccc2-[#6]-[#7](-[#6]-c12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
BDBM81982 Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11|
BDBM81984 NC(=N)NC(=O)Cc1c(Cl)cccc1Cl
BDBM86188 Clc1cc(Cl)cc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)c1
BDBM86194 NC(CS(O)=O)C(O)=O
BDBM86195 CSCCC(N)C(O)=O
BDBM86196 N[C@H](CCS(O)(=O)=O)C(O)=O |r|
BDBM86197 N[C@H](CCS(O)=O)C(O)=O |r|
BDBM86198 N[C@H]1CCSC1=O |r|
BDBM86199 NC(CSSCC(N)C(O)=O)C(O)=O
BDBM86201 N[C@@H](CCS(O)=O)C(O)=O |r|
BDBM86203 NC(CS)C(O)=O
BDBM86205 N[C@@H]1CCSC1=O |r|
BDBM85330 Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
BDBM85473 NC(CS(O)(=O)=O)C(O)=O
BDBM85709 NC1=NC2(CO1)CCc1ccccc1C2 |t:1|
BDBM85213 [#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]
BDBM86757 COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
BDBM96725 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(Cl)cccc1Cl |w:4.3|
BDBM100152 COc1ccc2c(c1)[nH]c1c(C)nccc21
BDBM50000663 C[C@]12NC(Cc3ccccc13)c1ccccc21
BDBM50001028 [#6]-[#6@H]1-[#6@H]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |r,TLB:16:15:1:3.4.10|
BDBM50001922 C(C1=NCCN1)c1cccc2ccccc12 |t:1|
BDBM50007674 C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
BDBM50013515 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
BDBM50010617 CCCN1CCC[C@H](C1)c1cccc(O)c1
BDBM50010588 CNC(C)Cc1ccc2OCOc2c1
BDBM50016897 Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
BDBM50019646 CC(Oc1c(Cl)cccc1Cl)C1=NCCN1 |t:12|
BDBM50019848 C1CN=C(N1)C1COc2ccccc2O1 |c:2|
BDBM50021809 Clc1cc(I)cc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
BDBM50029051 NC[C@H](O)c1ccc(O)c(O)c1 |r|
BDBM50027031 Clc1ccccc1NCC1=NCCN1 |t:10|
BDBM50027060 C(Oc1ccccc1C1CC1)C1=NCCN1 |t:13|
BDBM50000214 C(Nc1ccccc1-c1ccccc1)C1=NCCN1 |t:16|
BDBM50050093 [#6]-[#8]-c1nc(-[#6])nc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
BDBM50050094 CC(C)C1C2CCC(C2)C1N |TLB:10:9:8:5.6,THB:1:3:8:5.6|
BDBM50078824 c1c[nH]c(n1)-c1ccccc1
BDBM50086502 C1CN=C(N1)c1cc2ccccc2o1 |c:2|
BDBM50086503 N#CSc1ccc2oc(cc2c1)C1=NCCN1 |t:14|
BDBM50127572 CN1CC(Oc2ccc(F)cc12)C1=NCCN1 |t:14|
BDBM50127573 CCOCc1ccc2OC(CN(C)c2c1)C1=NCCN1 |t:17|
BDBM50127574 COc1ccc2OC(CN(C)c2c1)C1=NCCN1 |t:15|
BDBM50127575 CN1CC(Oc2ccccc12)C1=NCCN1 |t:13|
BDBM50127576 CN1CC(Oc2ccc(CO)cc12)C1=NCCN1 |t:15|
BDBM50127577 COc1cc(=O)n2CC(Oc3cccc1c23)C1=NCCN1 |t:19|
BDBM50127578 C1CN=C(N1)C1CN2CCc3cccc(O1)c23 |c:2|
BDBM50127579 CN1CC(Oc2cc3ccccc3cc12)C1=NCCN1 |t:18|
BDBM50127580 COc1cc(=O)n2CC(Oc3ccc(C)c1c23)C1=NCCN1 |t:20|
BDBM50127581 C1CN=C(N1)C1CN2CCCCc3cccc(O1)c23 |c:2|
BDBM50127582 CN1CC(Oc2cccc(C)c12)C1=NCCN1 |t:14|
BDBM50127583 CCCC1(CN(C)c2ccccc2O1)C1=NCCN1 |t:16|
BDBM50127584 CN1CC(Oc2ccc(Cl)cc12)C1=NCCN1 |t:14|
BDBM50127585 C1CN=C(N1)C1CNc2ccccc2O1 |c:2|
BDBM50127586 CN1CC(Oc2cc(C)c(C)cc12)C1=NCCN1 |t:15|
BDBM50127587 CN1CC(Oc2c(C)cc(C)cc12)C1=NCCN1 |t:15|
BDBM50127588 CN1CC(Oc2c1ccc1ccccc21)C1=NCCN1 |t:18|
BDBM50127589 CN1CC(Oc2ccc(cc12)C(F)(F)F)C1=NCCN1 |t:17|
BDBM50127590 C1CN=C(N1)C1Cn2ccc3cccc(O1)c23 |c:2|
BDBM50127591 CN1CC(Oc2ccc(C)cc12)C1=NCCN1 |t:14|
BDBM50127592 CN1CC(Oc2cc(C)ccc12)C1=NCCN1 |t:14|
BDBM50127593 CN1CC(C)(Oc2ccccc12)C1=NCCN1 |t:14|
BDBM50127594 Cc1ccc2OC(CN3CCCc1c23)C1=NCCN1 |t:17|
BDBM50127595 COC(=O)c1ccc2OC(CN(C)c2c1)C1=NCCN1 |t:17|
BDBM50127596 CCCN1CC(Oc2ccccc12)C1=NCCN1 |t:15|
BDBM50127597 CN1CC(Oc2cc3CCCCc3cc12)C1=NCCN1 |t:18|
BDBM50127598 C(N1CC(Oc2ccccc12)C1=NCCN1)c1ccccc1 |t:13|
BDBM50127599 CN1CC(Oc2c(C)cccc12)C1=NCCN1 |t:14|
BDBM50127600 C1CN=C(N1)C1CN2CCCc3cccc(O1)c23 |c:2|
BDBM50130262 C1Cc2c(CN1)[nH]c1ccccc21
BDBM50132097 COc1ccc2c3CCNCc3[nH]c2c1
BDBM50136493 CC1=NCCc2c1[nH]c1ccccc21 |t:1|
BDBM50136494 Brc1cccc2c3CCNCc3[nH]c12
BDBM50138499 C(Cc1ccccc1)C1=NCCN1 |t:9|
BDBM50138500 C1CN=C(N1)\C=C\c1ccccc1 |c:2|
BDBM50138501 C1CN=C(N1)c1ccco1 |c:2|
BDBM50138436 CCC(=O)N(CCCCCCCCNC(N)=N)C1CCN(CCc2ccccc2)CC1
BDBM50151704 CC(C)(C)c1ccc(cc1)C1=NCCN1 |t:11|
BDBM50171290 CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
BDBM50175510 CCC(=O)N(CCCCNC(N)=N)C1CCN(CCc2ccccc2)CC1
BDBM50220147 N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
BDBM50241196 C[C@@H](c1cnc[nH]1)c1cccc(C)c1C
BDBM50240362 Cc1ccc(cc1)C1=NCCN1 |t:8|
BDBM50240363 C1CN=C(N1)c1ccccc1 |c:2|
BDBM50240364 COc1ccc(cc1)C1=NCCN1 |t:9|
BDBM50240365 C1CN=C(N1)c1ccc2ccccc2n1 |c:2|
BDBM50240366 C1CN=C(N1)c1ccc2ccccc2c1 |c:2|
BDBM50240368 C1CN=C(N1)c1ccccn1 |c:2|
BDBM50240671 Clc1ccc2nsnc2c1NC1=NCCN1 |t:13|
BDBM50256540 CC(=O)NCC[C@H]1CNC=N1 |r,c:9|
BDBM50256541 CN(C)CC[C@H]1CNC(N)=N1 |r,c:9|
BDBM50256542 CN(C)CC[C@H]1CNC=N1 |r,c:8|
BDBM50256481 NCC[C@H]1CNC(N)=N1 |r,c:7|
BDBM50256482 NCC[C@@H]1CNC(N)=N1 |r,c:7|
BDBM50256483 NCC[C@H]1CNC=N1 |r,c:6|
BDBM50256484 NCC[C@@H]1CNC=N1 |r,c:6|
BDBM50256485 CC1=N[C@@H](CCN)CN1 |r,t:1|
BDBM50256486 CC(=O)NCC[C@H]1CNC(N)=N1 |r,c:10|
BDBM50256487 CC(=O)NCC[C@@H]1CNC(N)=N1 |r,c:10|
BDBM50262233 CCC1(Cc2ccccc2O1)C1=[NH+]CCN1 |t:13|
BDBM50262235 C1CC1C(NC1=[NH+]CCO1)C1CC1 |t:6|
BDBM50262238 Clc1cccc2-[#6]-[#7](-[#6]-c12)\[#7+]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
BDBM50270556 [#6]-c1cccc2cnn(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)c12
BDBM50270559 Clc1cccc2nn(cc12)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
BDBM50270560 [#6]-c1ccc2nn(cc2c1)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
BDBM50270562 [#6]-c1ccc2cn(\[#7]=[#6]-3/[#7]-[#6]-[#6]-[#7]-3)nc2c1
BDBM50270563 [#6]-1-[#6]-[#7]\[#6](-[#7]-1)=[#7]\n1cnc2ccccc12
BDBM50270561 Clc1ccc2nn(cc2c1)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
BDBM50272780 Cc1ccccc1CCC1=NCCN1 |t:10|
BDBM50272781 Clc1ccccc1CCC1=NCCN1 |t:10|
BDBM50271293 [#6]-c1cccc2n(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)ncc12
BDBM50271255 [#6]-1-[#6]-[#7]\[#6](-[#7]-1)=[#7]/n1ncc2ccccc12
BDBM50271257 [#6]-1-[#6]-[#7]\[#6](-[#7]-1)=[#7]/n1nc(-c2ccccc2)c2ccccc12
BDBM50271294 Clc1cccc2n(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)ncc12
BDBM50271295 [#6]-[#8]-c1cccc2n(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)ncc12
BDBM50271296 [#6]-c1ccc2n(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)ncc2c1
BDBM50271297 Clc1ccc2n(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)ncc2c1
BDBM50270662 [#6]-1-[#6]-[#7]\[#6](-[#7]-1)=[#7]\n1nnc2ccccc12
BDBM50272810 Oc1ccccc1CCC1=NCCN1 |t:10|
BDBM50272811 C(Cc1ccccc1-c1ccsc1)C1=NCCN1 |t:15|
BDBM50272779 [O-][N+](=O)c1cccc(c1)-c1ccccc1CCC1=NCCN1 |t:19|
BDBM50272773 C(Cc1ccccc1-c1ccccc1)C1=NCCN1 |t:16|
BDBM50272774 C(Cc1cccs1)C1=NCCN1 |t:8|
BDBM50272775 C(Cc1ccc[nH]1)C1=NCCN1 |t:8|
BDBM50272776 C(Cc1cccc2ccccc12)C1=NCCN1 |t:14|
BDBM50272777 C(CC1=NCCN1)C1CCCCC1 |t:2|
BDBM50272778 C(Cc1cccnc1)C1=NCCN1 |t:9|
BDBM50326218 O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
BDBM50326219 CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
BDBM50334204 Cc1ccc2c(N=C3NCCN3)[nH]nc2c1 |(-5.95,-39.45,;-4.64,-40.25,;-4.69,-41.79,;-3.37,-42.6,;-2.01,-41.86,;-.57,-42.38,;.24,-43.7,;1.78,-43.67,;2.66,-42.4,;4.13,-42.84,;4.16,-44.38,;2.71,-44.89,;.37,-41.16,;-.5,-39.9,;-1.98,-40.32,;-3.29,-39.52,)|
BDBM50334205 Brc1cccc2n[nH]c(N=C3NCCN3)c12 |(7.5,-1.88,;7.54,-.35,;6.23,.46,;6.27,2,;7.62,2.73,;8.94,1.93,;10.41,2.36,;11.29,1.09,;10.35,-.13,;11.16,-1.45,;12.69,-1.42,;13.57,-.15,;15.05,-.59,;15.08,-2.13,;13.62,-2.64,;8.9,.39,)|
BDBM50334206 COc1cccc2n[nH]c(N=C3NCCN3)c12 |(13.29,-18.77,;14.63,-18.04,;14.68,-16.51,;13.36,-15.7,;13.41,-14.16,;14.76,-13.43,;16.07,-14.23,;17.55,-13.8,;18.42,-15.07,;17.48,-16.29,;18.29,-17.61,;19.83,-17.58,;20.71,-16.31,;22.18,-16.75,;22.21,-18.29,;20.76,-18.8,;16.04,-15.77,)|
BDBM50334207 Clc1ccc2n[nH]c(N=C3NCCN3)c2c1 |(28.5,-15.61,;29.85,-14.88,;29.89,-13.34,;31.24,-12.61,;32.55,-13.41,;34.03,-12.98,;34.9,-14.24,;33.97,-15.47,;34.78,-16.79,;36.31,-16.75,;37.19,-15.49,;38.66,-15.93,;38.69,-17.47,;37.24,-17.97,;32.52,-14.95,;31.16,-15.69,)|
BDBM50334208 Cc1ccc2n[nH]c(N=C3NCCN3)c2c1 |(-5.41,-29.94,;-4.06,-29.21,;-4.01,-27.67,;-2.67,-26.94,;-1.35,-27.74,;.13,-27.31,;1,-28.57,;.06,-29.8,;.87,-31.12,;2.4,-31.08,;3.28,-29.82,;4.76,-30.26,;4.79,-31.8,;3.34,-32.31,;-1.39,-29.28,;-2.75,-30.02,)|
BDBM50334194 C1CNC(N1)=Nc1[nH]nc2ccccc12 |(1.21,-.87,;1.24,-2.41,;-.21,-2.92,;-1.14,-1.7,;-.27,-.43,;-2.68,-1.73,;-3.49,-.41,;-2.55,.82,;-3.42,2.08,;-4.9,1.65,;-6.21,2.45,;-7.56,1.72,;-7.61,.18,;-6.29,-.63,;-4.93,.11,)|
BDBM50334195 Clc1cccc2n[nH]c(N=C3NCCN3)c12 |(20.22,-2.74,;20.26,-1.21,;18.95,-.4,;18.99,1.14,;20.34,1.87,;21.66,1.07,;23.13,1.5,;24.01,.23,;23.07,-.99,;23.88,-2.31,;25.41,-2.28,;26.29,-1.01,;27.77,-1.45,;27.8,-2.99,;26.34,-3.5,;21.62,-.47,)|
BDBM50334196 Cc1cccc2n[nH]c(N=C3NCCN3)c12 |(-5.16,-15.24,;-5.12,-13.71,;-6.43,-12.91,;-6.38,-11.36,;-5.04,-10.63,;-3.72,-11.44,;-2.24,-11.01,;-1.37,-12.27,;-2.31,-13.49,;-1.5,-14.81,;.03,-14.78,;.91,-13.51,;2.39,-13.95,;2.42,-15.49,;.97,-16,;-3.76,-12.98,)|
BDBM50334197 Clc1cccc2c(N=C3NCCN3)[nH]nc12 |(13.68,-39.86,;13.64,-41.39,;12.29,-42.12,;12.25,-43.67,;13.56,-44.47,;14.92,-43.74,;16.37,-44.25,;17.18,-45.57,;18.71,-45.54,;19.59,-44.27,;21.07,-44.71,;21.09,-46.25,;19.64,-46.76,;17.3,-43.03,;16.43,-41.77,;14.95,-42.2,)|
BDBM50334202 COc1ccc2n[nH]c(N=C3NCCN3)c2c1 |(14.75,-30.58,;16.06,-31.39,;17.41,-30.66,;17.45,-29.12,;18.8,-28.38,;20.12,-29.19,;21.59,-28.76,;22.47,-30.02,;21.53,-31.25,;22.34,-32.56,;23.87,-32.53,;24.75,-31.26,;26.22,-31.71,;26.25,-33.25,;24.8,-33.75,;20.08,-30.73,;18.72,-31.46,)|
BDBM50334203 Clc1ccc2c(N=C3NCCN3)[nH]nc2c1 |(31.19,-27.47,;32.5,-28.27,;32.46,-29.82,;33.77,-30.62,;35.13,-29.89,;36.58,-30.4,;37.39,-31.72,;38.92,-31.69,;39.8,-30.42,;41.28,-30.86,;41.3,-32.4,;39.85,-32.91,;37.51,-29.18,;36.64,-27.92,;35.17,-28.35,;33.85,-27.54,)|
BDBM50334550 NCC[C@@H]1CN=C(Nc2cccc(c2)C(F)(F)F)N1 |r,t:5|
BDBM50334551 NCC[C@H]1CN=C(Nc2c(Cl)cccc2Cl)N1 |r,t:5|
BDBM50334552 NCC[C@@H]1CN=C(Nc2c(Cl)cccc2Cl)N1 |r,t:5|
BDBM50334553 NCC[C@H]1CN=C(NC(C2CC2)C2CC2)N1 |r,t:5|
BDBM50334554 NCC[C@H]1CN=C(Cc2ccccc2)N1 |r,t:5|
BDBM50334555 NCC[C@H]1CN=C(Cc2cccc3ccccc23)N1 |r,t:5|
BDBM50334556 NCC[C@@H]1CN=C(Cc2cccc3ccccc23)N1 |r,t:5|
BDBM50334557 CCC1(Cc2ccccc2O1)C1=NC[C@H](CCN)N1 |r,t:13|
BDBM50334558 CCC1(Cc2ccccc2O1)C1=NC[C@@H](CCN)N1 |r,t:13|
BDBM50334559 NCC[C@H]1CN=C(N1)C1COc2ccccc2O1 |r,c:5|
BDBM50334560 NCC[C@@H]1CN=C(N1)C1COc2ccccc2O1 |r,c:5|
BDBM50334561 NCC[C@H]1CN=C(CN(Cc2ccccc2)c2ccccc2)N1 |r,t:5|
BDBM50334562 NCC[C@H]1CN=C(N1)c1ccccc1 |r,c:5|
BDBM50334563 NCC[C@H]1CN=C(N1)c1ccccc1F |r,c:5|
BDBM50334564 NCC[C@H]1CN=C(N1)C=Cc1ccccc1 |r,w:8.8,c:5|
BDBM50334538 NCC[C@H]1CN=C(NCc2ccccc2)N1 |r,t:5|
BDBM50334539 NCC[C@H]1CN=C(Nc2ccccc2Br)N1 |r,t:5|
BDBM50334540 NCC[C@H]1CNC(N1)=Nc1c(F)cccc1F |r,w:8.9|
BDBM50334541 NCC[C@H]1CN=C(Nc2ccc(Br)cc2)N1 |r,t:5|
BDBM50334542 COc1ccc(NC2=NC[C@H](CCN)N2)cc1 |r,t:7|
BDBM50334543 NCC[C@H]1CN=C(Nc2cccc(Cl)c2)N1 |r,t:5|
BDBM50334544 NCC[C@H]1CN=C(Nc2cccnc2)N1 |r,t:5|
BDBM50334545 Cc1cccc(NC2=NC[C@H](CCN)N2)n1 |r,t:7|
BDBM50334546 Cc1cccc(NC2=NC[C@@H](CCN)N2)n1 |r,t:7|
BDBM50334547 NCC[C@H]1CN=C(Nc2ccc(Cl)cc2Cl)N1 |r,t:5|
BDBM50334548 NCC[C@@H]1CN=C(Nc2ccc(Cl)cc2Cl)N1 |r,t:5|
BDBM50334549 NCC[C@H]1CN=C(Nc2cccc(c2)C(F)(F)F)N1 |r,t:5|
BDBM50360009 C(C1=NCCN1)n1cnc2ccccc12 |t:1|
BDBM50360010 Cc1nc2ccccc2n1CC1=NCCN1 |t:13|
BDBM50360011 CCc1nc2ccccc2n1CC1=NCCN1 |t:14|
BDBM50360012 C(C1=NCCN1)n1c(nc2ccccc12)-c1ccccc1 |t:1|
BDBM50360013 C(c1nc2ccccc2n1CC1=NCCN1)c1ccccc1 |t:13|
BDBM50360014 Cc1cccc2n(CC3=NCCN3)cnc12 |t:8|
BDBM50360015 Cc1cc2ncn(CC3=NCCN3)c2cc1C |t:8|
BDBM50360016 CCc1nc2cc(C)c(C)cc2n1CC1=NCCN1 |t:16|
BDBM50360017 C(C1=NCCN1)n1nnc2ccccc12 |t:1|
BDBM50360018 Cc1cc2nnn(CC3=NCCN3)c2cc1C |t:8|
BDBM50360019 Cc1cccc2nn(CC3=NCCN3)nc12 |t:9|
BDBM50360020 Cc1cc2nn(CC3=NCCN3)nc2cc1C |t:7|
BDBM50360000 C(C1=NCCN1)n1ncc2ccccc12 |t:1|
BDBM50360001 Cc1cccc2cnn(CC3=NCCN3)c12 |t:10|
BDBM50360002 Clc1cccc2cnn(CC3=NCCN3)c12 |t:10|
BDBM50360003 Cc1nn(CC2=NCCN2)c2ccccc12 |t:5|
BDBM50360004 Cc1cccc2n(CC3=NCCN3)ncc12 |t:8|
BDBM50360005 Clc1cccc2n(CC3=NCCN3)ncc12 |t:8|
BDBM50360006 COc1cccc2n(CC3=NCCN3)ncc12 |t:9|
BDBM50360007 Cc1ccc2n(CC3=NCCN3)ncc2c1 |t:7|
BDBM50360008 Fc1cccc2cnn(CC3=NCCN3)c12 |t:10|
BDBM50399449 CN(C)C(CN)c1ccccc1Cl
BDBM50387823 CC1CNC(N1)=Nc1c(Cl)cccc1Cl |w:6.7|
BDBM50387824 CC1COC(N1)=NC(C1CC1)C1CC1 |w:6.7|
BDBM50387825 Clc1ccccc1N=C1CCCN1 |w:7.7|
BDBM50387826 CC1CCC(N1)=Nc1ccccc1Cl |w:6.7|
BDBM50387827 CC1CCC(N1)=Nc1ccc(I)cc1Cl |w:6.7|
BDBM50417353 C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|
BDBM50417354 C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|
BDBM50412317 CC1CCC(Nc2cc(N[N+]#N)c(I)cc2Cl)=N1 |c:17|
BDBM50412250 CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|
BDBM50412260 CC(Oc1ccccc1)C1=NCCN1 |t:10|
BDBM50419887 CC(C)Oc1ccccc1OC(C)C1=NCCN1 |t:14|
BDBM50419876 CC(C)c1ccccc1OC(C)C1=NCCN1 |t:13|
BDBM50421578 C(Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:16|
BDBM50070372 Cl.CC1CN\C(C1)=N\c1cccc(Cl)c1C
BDBM50070328 C1CC1C(NC1=NCCO1)C1CC1 |t:6|
BDBM50070329 Cc1ccc(F)c(c1)C1=NCCN1 |t:9|
BDBM50070330 NC1=NCC(COc2ccccc2Br)O1 |t:1|
BDBM50070357 CC1CC(NC(C2CC2)C2CC2)=NC1C |c:13|
BDBM50070361 CC1CC\C(N1)=N/c1cc(N=[N+]=[N-])c(I)cc1Cl
BDBM50070362 Cl.CC1CC\C(N1)=N/c1cccc(C)c1C
BDBM50070363 Cl.CC1CC\C(N1)=N/c1cccc(Cl)c1C
BDBM50070364 Cl.CC1CC\C(N1)=N\c1cccc2CCCc12
BDBM50070365 Cl.CC1CC\C(N1)=N\c1cccc2CCCCc12
BDBM50070366 Cl.CC1CC\C(N1)=N\c1ccc(Cl)c2CCCc12
BDBM50070368 Cl.CC1CN\C(C1)=N\c1cccc(C)c1C
BDBM50070373 Cl.CC1CN\C(C1)=N/c1cccc2CCCc12
BDBM50070374 Cl.CC1CN\C(C1)=N/c1ccc(Cl)c2CCCc12
BDBM50070375 Cl.CC1CN\C(C1)=N/c1ccc(C)c2CCCc12
BDBM215800 CC1CN=C(C1)Nc1cccc(Cl)c1C |c:3|
BDBM215801 CC1CCC(Nc2cccc3CCCc23)=N1 |c:16|
BDBM215802 CC1CN=C(C1)Nc1ccc(Cl)c2CCCc12 |c:3|
BDBM215803 CC1CN=C(C1)Nc1ccc(C)c2CCCc12 |c:3|
BDBM215804 CC1CCC(Nc2ccccc2Cl)=N1 |c:13|
BDBM215805 CC1CCC(Nc2ccc(Cl)c3CCCc23)=N1 |c:17|
BDBM50091342 C[C@@H](Cc1ccccc1-c1ccccc1)C1=NCCN1 |r,t:17|
BDBM50091343 C[C@H](Cc1ccccc1-c1ccccc1)C1=NCCN1 |r,t:17|
BDBM50091344 CC(Cc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|
BDBM50091345 C[C@@H](Cc1ccccc1)C1=NCCN1 |r,t:10|
BDBM50091347 CC(Cc1ccccc1)C1=NCCN1 |t:10|
BDBM50091335 CC(Cc1ccccc1Cl)C1=NCCN1 |t:11|
BDBM50091337 C[C@H](Cc1ccccc1C)C1=NCCN1 |r,t:11|
BDBM50091338 CC(Cc1ccccc1C)C1=NCCN1 |t:11|
BDBM50091339 CC(Cc1ccccc1-c1cccc(O)c1)C1=NCCN1 |t:18|
BDBM50091340 CC(Cc1ccccc1-c1cccnc1)C1=NCCN1 |t:17|
BDBM50091336 C[C@@H](Cc1ccccc1C)C1=NCCN1 |r,t:11|
BDBM50091341 CC(Cc1ccccc1-c1ccsc1)C1=NCCN1 |t:16|
BDBM50091346 [H][C@@](C)(Cc1ccccc1)C1=NCCN1 |r,t:11|
BDBM50179393 CCC1(Cc2ccccc2O1)C1=NCCN1 |t:13|
BDBM50164832 Cl.C(C1=NCCN1)n1ccc2ccccc12 |t:1|
BDBM50164833 Cl.Fc1cccc2n(CC3=NCCN3)ccc12 |t:8|
BDBM50164834 Cl.Brc1cccc2n(CC3=NCCN3)ccc12 |t:8|
BDBM50164835 Cl.Fc1ccc2n(CC3=NCCN3)ccc2c1 |t:7|
BDBM50164836 Cl.Brc1ccc2n(CC3=NCCN3)ccc2c1 |t:7|
BDBM50164837 Cl.Fc1ccc2ccn(CC3=NCCN3)c2c1 |t:9|
BDBM50164838 Cl.Clc1ccc2ccn(CC3=NCCN3)c2c1 |t:9|
BDBM50164839 Cl.Fc1cccc2ccn(CC3=NCCN3)c12 |t:10|
BDBM50164840 Cl.Clc1cccc2ccn(CC3=NCCN3)c12 |t:10|
BDBM50164841 Cl.Brc1cccc2ccn(CC3=NCCN3)c12 |t:10|
BDBM50164842 Br.Cc1cccc2ccn(CC3=NCCN3)c12 |t:10|
BDBM50164843 Cl.CCc1cccc2ccn(CC3=NCCN3)c12 |t:11|
BDBM50164844 Br.COc1cccc2ccn(CC3=NCCN3)c12 |t:11|
BDBM50164845 Br.C(Oc1cccc2ccn(CC3=NCCN3)c12)c1ccccc1 |t:11|
BDBM50179394 CC(CC1=NCCN1)c1ccccc1 |t:3|
BDBM50179395 C(Oc1ccccc1)C1=NCCN1 |t:9|
BDBM50179396 [H][C@@](C)(CC1=NCCN1)c1ccccc1 |r,t:4|
BDBM50179397 Clc1cccc2CN(Cc12)NC1=NCCN1 |t:13|
BDBM50179398 [H][C@@]1(C[C@]1([H])c1ccccc1)C1=NCCN1 |t:13|
BDBM50193039 Cc1ccccc1\C=C\C1=NCCN1 |t:10|
BDBM50193034 Cc1ccccc1NCC1=NCCN1 |t:10|
BDBM50193035 C=CCc1ccccc1NCC1=NCCN1 |t:12|
BDBM50193036 CCCc1ccccc1NCC1=NCCN1 |t:12|
BDBM50193037 Clc1ccccc1\C=C\C1=NCCN1 |t:10|
BDBM50193038 C1CN=C(N1)\C=C\c1ccccc1-c1ccccc1 |c:2|
BDBM50193041 C=CCc1ccccc1\C=C\C1=NCCN1 |t:12|
BDBM50231569 Cc1nccn1C[C@H]1CCc2c(C1=O)c1cccc3CCCn2c13
BDBM50225285 Clc1cccc(Cl)c1NC1=NCCN1 |t:10|
BDBM50487285 COC1=NC(C)(Cl)CC=C1NC1=NCCN1 |c:8,t:2,12|
BDBM50473237 CC1CCN=C1NC(C1CC1)C1CC1 |c:4|
BDBM50473238 CCC1CCC(NC(C2CC2)C2CC2)=N1 |c:15|
BDBM50473239 CC1CN=C(C1)NC(C1CC1)C1CC1 |c:3|
BDBM50473240 CC1CCC(NC(C2CC2)C2CC2)=N1 |c:14|
BDBM50473241 C1CC1C(NC1=NCCC1)C1CC1 |t:6|
BDBM50474215 C[C@@H](CC1=NCCN1)c1ccccc1 |r,t:3|
BDBM50473242 C1CC1C(NC1=NC2CCCCC2C1)C1CC1 |t:6|
BDBM50473128 C1CN=C(N1)C1OCc2ccccc2O1 |c:2|
BDBM50473129 C(Nc1ccccc1)C1=NCCN1 |t:9|
BDBM50473130 CC(=O)Nc1ccc(cc1)C1=NCCN1 |t:11|
BDBM50473131 C1CN=C(N1)c1cnccn1 |c:2|
BDBM50473132 CN1C(=O)C(C)(Oc2ccccc12)C1=NCCN1 |t:15|
BDBM50473133 Fc1ccc(C2=NCCN2)c(Cl)c1 |t:5|
BDBM50473134 CC(C)(C)c1ccccc1OCC1=NCCN1 |t:13|
BDBM50473135 C1CN=C(N1)c1ccc(cc1)-c1ccccc1 |c:2|
BDBM50473136 C1CN=C(N1)c1ccc2[nH]ccc2c1 |c:2|
BDBM50473137 Cc1ccccc1OCC1=NCCN1 |t:10|
BDBM50473138 FC(F)(F)c1ccc(cc1)C1=NCCN1 |t:11|
BDBM50473139 Cc1c(cccc1C1=NCCN1)C#N |t:8|
BDBM50473140 NC(=N)C1OCc2ccccc2O1
BDBM50473141 C1CN=C(N1)c1cc2c(ccc3ccccc23)o1 |c:2|
BDBM50473142 Cc1ccc(F)cc1C1=NCCN1 |t:9|
BDBM50473143 C(C(c1ccccc1)c1ccccc1)C1=NCCN1 |t:16|
BDBM50473144 Cc1ccsc1C1=NCCN1 |t:7|
BDBM50473145 CC(C)c1ccccc1OCC1=NCCN1 |t:12|
BDBM50473146 C1Oc2ccccc2OC1c1ncc[nH]1
BDBM50473147 C1CN=C(N1)c1c2ccccc2cc2ccccc12 |c:2|
BDBM50473148 C1CNC(=NC1)c1ccccc1 |c:3|
BDBM50473149 CCn1ccnc1C1COc2ccccc2O1
BDBM50473150 Fc1ccccc1C1=NCCN1 |t:8|
BDBM50473151 Cc1ccc(cc1)-c1ncc[nH]1
BDBM50473152 CSc1ccccc1C1=NCCN1 |t:9|
BDBM50473153 Cc1ccc(cc1)C1=NCCCN1 |t:8|
BDBM50473154 C=CCc1ccccc1OCC1=NCCN1 |t:12|
BDBM50473155 C1CN=C(N1)C1=Cc2ccccc2CC1 |c:2,t:6|
BDBM50473156 C1CN=C(N1)C1CSc2ccccc2O1 |c:2|
BDBM50473157 FC(F)(F)Oc1ccc(cc1)C1=NCCN1 |t:12|
BDBM50473158 C1CN=C(N1)c1cccs1 |c:2|
BDBM50473159 COc1ccc2ccccc2c1C1=NCCN1 |t:14|
BDBM50473160 Fc1cccc(c1)C1=NCCN1 |t:8|
BDBM50473161 Cc1ccc(cc1F)C1=NCCN1 |t:9|
BDBM50473162 O=c1c(coc2ccccc12)C1=NCCN1 |t:13|
BDBM50473163 CC1CN=C(N1)c1ccc(C)cc1 |c:3|
BDBM50473164 C1CN=C(N1)c1ccc2OCOc2c1 |c:2|
BDBM50473165 C1CN=C(N1)C1CCCCCC1 |c:2|
BDBM50473166 C1CN=C(N1)C1=Cc2ccccc2OC1 |c:2,t:6|
BDBM50473167 C1CN=C(N1)c1cccnc1 |c:2|
BDBM50473168 CCc1cccc(c1)C1=NCCN1 |t:9|
BDBM50473169 C1CN=C(N1)c1cc2ccccc2c2ccccc12 |c:2|
BDBM50473170 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C1=NCCN1 |t:16|
BDBM50473171 C(Oc1cccc2ccccc12)C1=NCCN1 |t:14|
BDBM50473172 CC1CN=C(N1)c1ccccc1 |c:3|
BDBM50473173 C1CN=C(N1)c1cccc2ccccc12 |c:2|
BDBM50473174 C\C(=C/c1ccccc1)C1=NCCN1 |t:10|
BDBM50473175 C1CN=C(N1)c1cnc2ccccc2c1 |c:2|
BDBM50473176 Cc1ccccc1C1=NCCN1 |t:8|
BDBM50473177 C1CN=C(N1)c1ccc(Oc2ccccc2)cc1 |c:2|
BDBM50473178 C(Oc1ccc2ccccc2c1)C1=NCCN1 |t:14|
BDBM50473179 CCCc1ccccc1OCC1=NCCN1 |t:12|
BDBM50472304 [H][C@]1(C[C@]1([H])c1ccccc1)C1=NCCN1 |t:13|
BDBM50472305 C1C(C1c1ccccc1)C1=NCCN1 |t:11|
BDBM50472306 [H][C@]1(C[C@@]1([H])c1ccccc1)C1=NCCN1 |t:13|
BDBM50472307 [H][C@@]1(C[C@@]1([H])c1ccccc1)C1=NCCN1 |t:13|
BDBM50473180 CCCc1ccc(cc1)C1=NCCN1 |t:10|
BDBM50473181 COc1ccc2cc(ccc2c1)C1=NCCN1 |t:14|
BDBM50473182 C1CN=C(N1)C1Oc2ccccc2O1 |c:2|
BDBM50473183 C1CN=C(N1)C1c2ccccc2Oc2ccccc12 |c:2|
BDBM50473184 CCc1ccccc1OCC1=NCCN1 |t:11|
BDBM50473185 Fc1ccc(cc1Cl)C1=NCCN1 |t:9|
BDBM50473186 C1CN=C(N1)c1cccc(c1)-c1ccccc1 |c:2|
BDBM50473187 C1CN=C(N1)C1COc2ccccc2C1 |c:2|
BDBM50473188 CCC(C)c1ccccc1OCC1=NCCN1 |t:13|
BDBM50473189 COc1cccc(c1)C1=NCCN1 |t:9|
BDBM50473190 Cc1ccc(cc1)C1=NCCCCN1 |t:8|
BDBM50473191 CC(C)c1ccc(cc1)C1=NCCN1 |t:10|
BDBM50473192 Fc1cc(F)cc(c1)C1=NCCN1 |t:9|
BDBM50473193 C1CN=C(N1)C1Cc2c(O1)ccc1ccccc21 |c:2|
BDBM50473194 C1CN=C(N1)c1ccccc1-c1ccccc1 |c:2|
BDBM50473195 C(Sc1ccccc1)C1=NCCN1 |t:9|
BDBM50473196 CSc1ccc(cc1)C1=NCCN1 |t:9|
BDBM50473197 CCc1ccc(cc1)C1=NCCN1 |t:9|
BDBM50473198 C(Oc1ccccc1Cc1ccccc1)C1=NCCN1 |t:17|
BDBM50473199 NC(=N)C1COc2ccccc2O1
BDBM50473200 CCCCc1ccc(cc1)C1=NCCN1 |t:11|
BDBM50473201 C1CN=C(N1)c1ccncc1 |c:2|
BDBM50473202 CC(Oc1ccccc1C)C1=NCCN1 |t:11|
BDBM50473203 CC(C)Oc1ccccc1OCC1=NCCN1 |t:13|
BDBM50473204 Cc1cccc(c1)C1=NCCN1 |t:8|
BDBM50473205 CC1CN=C(N1)c1cccc(C)c1 |c:3|
BDBM50497433 Fc1cccc2n(CC3=NCCN3)ncc12 |t:8|
BDBM50497434 Fc1cccc2n(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)ncc12
BDBM50497435 Fc1ccc2cnn(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)c2c1
BDBM50497436 Fc1ccc2n(CC3=NCCN3)ncc2c1 |t:7|
BDBM50497437 Fc1c(F)c(F)c2n(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)ncc2c1F
BDBM50497438 Fc1ccc2cnn(CC3=NCCN3)c2c1 |t:9|
BDBM50497439 Fc1cccc2cnn(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)c12
BDBM50497440 Fc1ccc2n(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)ncc2c1
BDBM50514718 CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(Cc1ccccc1)C2=O)c1ccccc1 |c:9|
BDBM50514719 CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1ccccc1 |c:9|
BDBM50514720 CCOP(=O)(OCC)C1(Cc2ccccc2)N=CC2C1C(=O)N(C2=O)c1ccccc1 |c:17|
BDBM50514722 CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1cccc(c1)[N+]([O-])=O)c1ccccc1 |c:9|
BDBM50514723 CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(OC)cc1)c1ccccc1 |c:9|
BDBM50514737 CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1 |c:9|
BDBM50514738 CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C2=O)c1ccc(OC)cc1 |c:9|
BDBM50514721 CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(F)c(Cl)c1)c1ccccc1 |c:9|
BDBM50514724 CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C1CCCCC1)C2=O)c1ccccc1 |c:9|
BDBM50514726 CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C2=O)c1ccccc1 |c:9|
BDBM50514727 CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C1CCCCC1)C2=O |c:9|
BDBM50514744 CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(CCc1ccccc1)C2=O)c1ccccc1 |c:9|
BDBM50514745 CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C2=O)c1ccc(F)c(Cl)c1 |c:9|
BDBM50514725 CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C)C2=O)c1ccccc1 |c:9|
BDBM50514739 CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C)C2=O |c:9|