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794 SMILES Strings for Aldose reductase (AR)

Compound NameSMILES String
BDBM4078 Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
BDBM4375 OC(=O)\C=C\c1ccc(O)c(O)c1
BDBM4374 OC(=O)\C=C\c1ccc(O)cc1
BDBM7462 Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
BDBM7459 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM7461 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
BDBM10515 OC(=O)CCCCC1CCSS1
BDBM11318 Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
BDBM12342 O=c1ccc2ccccc2o1
BDBM13066 OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
BDBM15236 Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
BDBM16417 OC(=O)CN1C(=O)c2ccccc2C1=O
BDBM16419 OC(=O)Cc1ccccc1
BDBM16420 O[C@H](C(O)=O)c1ccccc1 |r|
BDBM16421 O[C@@H](C(O)=O)c1ccccc1 |r|
BDBM16422 OC(=O)Cc1ccccc1F
BDBM16423 Cc1ccccc1CC(O)=O
BDBM16424 OC(=O)Cc1ccccc1Cl
BDBM16425 OC(=O)Cc1ccccc1Br
BDBM16426 OC(=O)Cc1ccccc1O
BDBM16427 OC(=O)Cc1ccc(Cl)cc1
BDBM16428 OC(=O)Cc1c(F)cccc1F
BDBM16429 OC(=O)Cc1c(Cl)cccc1Cl
BDBM16430 OC(=O)\C=C\c1ccccc1
BDBM16431 OC(=O)Cc1ccc2ccccc2c1
BDBM16432 OC(=O)C[c-]1cccc1
BDBM16433 CCCCCC(O)=O
BDBM16435 NC(=O)CCCCC1CCSS1
BDBM16436 OC(=O)CCCCC(S)CCS
BDBM16437 OCCSC1CC(=O)N(CC(O)=O)C1=O
BDBM16438 NC(CSC1CC(=O)N(CC(O)=O)C1=O)C(O)=O
BDBM16439 CC(=O)NC(CSC1CC(=O)N(CC(O)=O)C1=O)C(O)=O
BDBM16441 N[C@@H](CCC(=O)N[C@@H](CSC1CC(=O)N(CC(O)=O)C1=O)C(=O)NCC(O)=O)C(O)=O |r|
BDBM16442 O=c1ccc(n[nH]1)S(=O)(=O)c1ccccc1
BDBM16444 Clc1ccccc1S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16445 Brc1ccccc1S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16446 COc1ccc(cc1)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16447 Cc1ccc(cc1)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16448 O=c1ccc(n[nH]1)S(=O)(=O)c1ccccc1-c1ccccc1
BDBM16449 Clc1ccc(c(Cl)c1)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16440 COC(=O)C(N)CSC1CC(=O)N(CC(O)=O)C1=O
BDBM16450 Fc1ccc(c(Cl)c1)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16451 Fc1cc(Br)ccc1S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16452 OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12
BDBM16454 O=c1ccc(n[nH]1)S(=O)(=O)c1cc2ccccc2[nH]1
BDBM16455 O=c1ccc(n[nH]1)S(=O)(=O)c1cc2ccccc2s1
BDBM16456 O=c1ccc(n[nH]1)S(=O)(=O)c1cc2ccccc2o1
BDBM16463 OC(=O)Cn1cc(Cc2nc3c(F)cccc3s2)c2ccccc12
BDBM16464 OC(=O)Cn1cc(Cc2nc3cc(F)ccc3s2)c2ccccc12
BDBM16465 OC(=O)Cn1cc(Cc2nc3ccc(F)cc3s2)c2ccccc12
BDBM16466 OC(=O)Cn1cc(Cc2nc3cccc(F)c3s2)c2ccccc12
BDBM16467 OC(=O)Cn1cc(Cc2nc3cc(F)c(F)cc3s2)c2ccccc12
BDBM16468 OC(=O)Cn1cc(Cc2nc3c(F)cc(F)cc3s2)c2ccccc12
BDBM16469 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12
BDBM16470 Cc1c(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc2n1CC(O)=O
BDBM16471 OC(=O)Cn1c(c(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12)-c1ccccc1
BDBM16472 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2c(Cl)cccc12
BDBM16473 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(Cl)ccc12
BDBM16474 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(F)ccc12
BDBM16475 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(Br)ccc12
BDBM16476 Cc1ccc2n(CC(O)=O)cc(Cc3nc4c(F)c(F)cc(F)c4s3)c2c1
BDBM16477 COc1ccc2n(CC(O)=O)cc(Cc3nc4c(F)c(F)cc(F)c4s3)c2c1
BDBM16478 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(OCc3ccccc3)ccc12
BDBM16479 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(Oc3ccccc3)ccc12
BDBM16480 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(ccc12)-c1ccccc1
BDBM16481 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(ccc12)N1CCOCC1
BDBM16482 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(F)cc12
BDBM16483 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(Cl)cc12
BDBM16484 Cc1ccc2c(Cc3nc4c(F)c(F)cc(F)c4s3)cn(CC(O)=O)c2c1
BDBM16485 COc1ccc2c(Cc3nc4c(F)c(F)cc(F)c4s3)cn(CC(O)=O)c2c1
BDBM16486 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(cc12)-c1ccccc1
BDBM16487 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(cc12)N1CCOCC1
BDBM16488 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cccc(F)c12
BDBM16489 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cccc(Cl)c12
BDBM16490 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cccc(Br)c12
BDBM16491 Cc1cccc2c(Cc3nc4c(F)c(F)cc(F)c4s3)cn(CC(O)=O)c12
BDBM16492 OC(=O)Cn1cc(C(=O)c2nc3c(F)c(F)cc(F)c3s2)c2ccccc12
BDBM16493 OC(=O)Cn1cc(CCc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12
BDBM16494 OC(=O)CCn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12
BDBM16495 CC(C(O)=O)n1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12
BDBM16496 OC(=O)Cn1c2cc(Cl)ccc2c(=O)n(Cc2ccc(Br)cc2F)c1=O
BDBM16453 O=c1ccc(n[nH]1)S(=O)(=O)c1nc2ccccc2s1
BDBM16457 Clc1ccc2oc(cc2c1)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16458 OC(=O)Cn1cc(Cc2nc3cc(ccc3s2)C(F)(F)F)c2ccccc12
BDBM16459 Cc1ccc2n(CC(O)=O)cc(Cc3nc4cc(ccc4s3)C(F)(F)F)c2c1
BDBM16460 OC(=O)Cn1cc(Cc2nc3cc(ccc3s2)C(F)(F)F)c2cc(Cl)ccc12
BDBM16461 OC(=O)Cn1cc(Cc2nc3cc(ccc3s2)C(F)(F)F)c2ccc(Br)cc12
BDBM16462 OC(=O)Cn1cc(Cc2nc3ccc(Cl)cc3s2)c2ccccc12
BDBM16415 OC(=O)CN1C(=O)c2cccc3cccc(C1=O)c23
BDBM16313 OC(=O)COc1cc(F)ccc1C(=S)NCc1ccc(Br)cc1F
BDBM16314 COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O
BDBM16315 Cc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16312 Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 |r|
BDBM16233 OC(=O)CCCc1nc([n-][o+]1)-c1cccc(c1)[N+]([O-])=O
BDBM16235 OC(=O)CSc1nnc(o1)-c1ccc(o1)[N+]([O-])=O
BDBM16236 OC(=O)CCCc1nc(no1)-c1ccccn1
BDBM16237 OC(=O)CCCc1nc(no1)-c1ccc(Cl)cc1
BDBM16238 OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1F
BDBM16239 OC(=O)COc1cc(Cl)ccc1C(=O)NCc1cccc(c1)[N+]([O-])=O
BDBM16240 OC(=O)CN1C(=O)c2c(c(cc3ccccc23)C(O)=O)S1(=O)=O
BDBM16241 OCC(O)C=O
BDBM16242 OC(=O)COC(=O)c1cc2ccccc2c2C(=O)N(CC(O)=O)S(=O)(=O)c12
BDBM16244 OC(=O)CN1C(=O)c2c(ccc3cccc([N+]([O-])=O)c23)S1(=O)=O
BDBM16245 OC(=O)CN1C(=O)c2c(ccc3c(cccc23)[N+]([O-])=O)S1(=O)=O
BDBM16246 Nc1cccc2ccc3c(C(=O)N(CC(O)=O)S3(=O)=O)c12
BDBM16247 Nc1cccc2c3C(=O)N(CC(O)=O)S(=O)(=O)c3ccc12
BDBM16243 OC(=O)CN1C(=O)c2c(ccc3ccccc23)S1(=O)=O
BDBM16248 CN1C(=O)c2c(c(cc3ccccc23)C(O)=O)S1(=O)=O
BDBM16249 CN1C(=O)c2c(c(cc3ccccc23)C(=O)OCC(O)=O)S1(=O)=O
BDBM16613 Fc1ccccc1CS(=O)(=O)c1ccc(=O)[nH]n1
BDBM16614 FC(F)(F)c1ccccc1CS(=O)(=O)c1ccc(=O)[nH]n1
BDBM16615 FC(F)(F)c1cccc(CS(=O)(=O)c2ccc(=O)[nH]n2)c1
BDBM16622 Fc1c(CS(=O)(=O)c2ccc(=O)[nH]n2)cccc1C(F)(F)F
BDBM16627 O=c1ccc(n[nH]1)S(=O)(=O)c1cc2cc3OCOc3cc2[nH]1
BDBM16628 Clc1cc(Cl)c2[nH]c(cc2c1)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16630 COc1ccc2oc(cc2c1)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16631 Clc1cc(Cl)c2oc(cc2c1)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16632 Cc1c(oc2cc(Cl)ccc12)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16633 Cc1c(oc2ccc(F)cc12)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16634 Cc1c(oc2ccc(cc12)C(F)(F)F)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16635 Cc1c(oc2ccc(C)cc12)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16636 CCc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16637 CC(C)c1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16638 O=c1ccc(n[nH]1)S(=O)(=O)c1oc2ccccc2c1-c1ccccc1
BDBM16639 Fc1ccc(cc1)-c1c(oc2ccccc12)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16640 Clc1ccc2oc(c(-c3ccccc3)c2c1)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16597 Brc1ccc(cc1)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16598 Clc1cccc(c1)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16599 Clc1ccc(cc1)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16600 Fc1ccccc1S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16601 Fc1ccc(cc1)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16602 Clc1cccc(c1Cl)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16603 Clc1ccc(Cl)c(c1)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16604 Clc1cccc(Cl)c1S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16605 Fc1cccc(c1F)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16606 Fc1ccc(c(F)c1)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16607 FC(F)(F)c1cccc(c1)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16608 FC(F)(F)c1ccc(cc1)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16609 O=c1ccc(n[nH]1)S(=O)(=O)c1ccccc1Cc1cccc2ccccc12
BDBM16610 O=c1ccc(n[nH]1)S(=O)(=O)c1ccccc1Cc1ccc2ccccc2c1
BDBM16611 O=c1ccc(n[nH]1)S(=O)(=O)Cc1ccccc1
BDBM16612 Clc1ccccc1CS(=O)(=O)c1ccc(=O)[nH]n1
BDBM16642 Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16512 NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 |r|
BDBM16616 Clc1cccc(CS(=O)(=O)c2ccc(=O)[nH]n2)c1Cl
BDBM16617 Clc1cccc(Cl)c1CS(=O)(=O)c1ccc(=O)[nH]n1
BDBM16618 Fc1cccc(CS(=O)(=O)c2ccc(=O)[nH]n2)c1F
BDBM16619 Fc1cc(Br)ccc1CS(=O)(=O)c1ccc(=O)[nH]n1
BDBM16620 Fc1cccc(Cl)c1CS(=O)(=O)c1ccc(=O)[nH]n1
BDBM16621 Fc1c(Cl)cccc1CS(=O)(=O)c1ccc(=O)[nH]n1
BDBM16623 Clc1ccc2[nH]c(cc2c1)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16624 Clc1ccc2cc([nH]c2c1)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16625 Clc1cccc2cc([nH]c12)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16626 Fc1ccc2cc([nH]c2c1)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16629 Cc1c(oc2ccccc12)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM16641 Cc1ccc2sc(cc2c1)S(=O)(=O)c1ccc(=O)[nH]n1
BDBM17638 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
BDBM17636 OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F
BDBM19459 Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
BDBM23410 COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM23223 CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)|
BDBM23208 [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C
BDBM23419 Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|
BDBM26632 COc1ccc(C=C2SC(O)=NC2=O)cc1 |w:6.5,c:10|
BDBM26634 COc1cccc(C=C2SC(O)=NC2=O)c1 |w:7.6,c:11|
BDBM26193 OC(=O)c1ccccc1O
BDBM34571 Oc1cc2ccc(=O)oc2cc1O
BDBM60579 Oc1ccc(\C=C2/SC(=O)NC2=O)cc1
BDBM84978 C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
BDBM83922 Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21
BDBM104020 OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1
BDBM104021 OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(F)cc(Br)cc1F
BDBM104022 OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(F)c(F)c(Br)c(F)c1F
BDBM104023 OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(I)cc1
BDBM104024 OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(I)cc1F
BDBM104025 OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(F)cc(I)cc1F
BDBM110175 NC1=CNC(=O)C1=Cc1ccc(Cl)cc1 |w:7.8,t:1|
BDBM110176 NC1=CNC(=O)C1=Cc1ccc(F)cc1 |w:7.8,t:1|
BDBM110177 COc1ccc(C=C2C(=O)NC=C2N)cc1 |w:6.5,c:11|
BDBM110178 COc1ccc(cc1)-c1cc(Cc2c(N)[nH][nH]c2=O)n(n1)-c1ccccc1
BDBM110179 NC1=NNC(=O)C1=Cc1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1 |w:7.8,t:1|
BDBM110180 NC(=S)N1C=C(N)C(=Cc2ccc(Cl)cc2)C1=O |w:8.8,t:4|
BDBM110181 NC(=S)N1C=C(N)C(=Cc2ccc(F)cc2)C1=O |w:8.8,t:4|
BDBM110183 COc1ccc(cc1)-c1cc(C=C2C(N)=NN(C(N)=S)C2=O)n(n1)-c1ccccc1 |w:11.11,c:15|
BDBM110184 NC(=S)N1N=C(N)C(=Cc2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)C1=O |w:8.8,t:4|
BDBM50008435 OC(=O)Cc1nn(Cc2cc3cc(F)ccc3s2)c(=O)c2ccccc12
BDBM50008436 OC(=O)Cc1nn(CC(=S)Nc2cc(ccc2Br)C(F)(F)F)c(=O)c2ccccc12
BDBM50008437 OC(=O)Cc1nn(CC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(=O)c2ccccc12
BDBM50008438 OC(=O)Cc1nn(Cc2nc3ccccc3o2)c(=O)c2ccccc12
BDBM50008439 OC(=O)Cc1nn(Cc2nc3cc4ccccc4cc3o2)c(=O)c2ccccc12
BDBM50008440 OC(=O)Cc1nn(CC(=O)Nc2cc(F)cc(F)c2O)c(=O)c2ccccc12
BDBM50008441 Cc1ccccc1-c1noc(Cn2nc(CC(O)=O)c3ccccc3c2=O)n1
BDBM50008442 OC(=O)Cc1nn(Cc2nc3cc(Cl)cc(Cl)c3o2)c(=O)c2ccccc12
BDBM50008443 OC(=O)Cc1nn(Cc2cc3cc(Br)ccc3s2)c(=O)c2ccccc12
BDBM50008444 OC(=O)Cc1nn(CC(=S)Nc2cccc(c2)C(F)(F)F)c(=O)c2ccccc12
BDBM50008445 Cn1c(Cn2nc(CC(O)=O)c3ccccc3c2=O)nc2ccccc12
BDBM50008446 OC(=O)Cc1nn(Cc2nc3ccc(Br)cc3o2)c(=O)c2ccccc12
BDBM50008447 OC(=O)Cc1nn(Cc2nnc(o2)-c2ccccc2)c(=O)c2ccccc12
BDBM50008448 OC(=O)Cc1nn(Cc2nc3cc(Cl)ccc3o2)c(=O)c2ccccc12
BDBM50008449 OC(=O)Cc1nn(CC(=O)Nc2cccc(F)c2)c(=O)c2ccccc12
BDBM50008450 OC(=O)Cc1nn(Cc2snc3ccccc23)c(=O)c2ccccc12
BDBM50008451 OC(=O)Cc1nn(Cc2nc(no2)-c2ccc(Br)cc2)c(=O)c2ccccc12
BDBM50008452 OC(=O)Cc1nn(Cc2cc3ccccc3[nH]2)c(=O)c2ccccc12
BDBM50008453 OC(=O)Cc1nn(Cc2cc3c(Cl)cccc3s2)c(=O)c2ccccc12
BDBM50008454 OC(=O)Cc1nn(CC(=O)Nc2ccccc2C(F)(F)F)c(=O)c2ccccc12
BDBM50008455 OC(=O)Cc1nn(Cc2cc3cccnc3s2)c(=O)c2ccccc12
BDBM50008456 OC(=O)Cc1nn(CC(=O)Nc2cccc(Cl)c2)c(=O)c2ccccc12
BDBM50008457 OC(=O)Cc1nn(CC(=S)Nc2cccc(Cl)c2)c(=O)c2ccccc12
BDBM50008458 OC(=O)Cc1nn(Cc2nc3cc(ccc3o2)-c2ccccc2)c(=O)c2ccccc12
BDBM50008459 OC(=O)Cc1nn(Cc2cc3cc(ccc3s2)[N+]([O-])=O)c(=O)c2ccccc12
BDBM50008460 OC(=O)Cc1nn(Cc2csc(n2)-c2ccccc2F)c(=O)c2ccccc12
BDBM50008461 OC(=O)Cc1nn(Cc2nc(no2)-c2ccccc2C(F)(F)F)c(=O)c2ccccc12
BDBM50008462 OC(=O)Cc1nn(CC(=O)Nc2ccccc2)c(=O)c2ccccc12
BDBM50008463 OC(=O)Cc1nn(CC(=O)Nc2ccc(cc2)C(F)(F)F)c(=O)c2ccccc12
BDBM50008464 OC(=O)Cc1nn(Cc2nc(no2)-c2ccccc2)c(=O)c2ccccc12
BDBM50008465 COc1ccccc1-c1noc(Cn2nc(CC(O)=O)c3ccccc3c2=O)n1
BDBM50008466 OC(=O)Cc1nn(Cc2nc(c(o2)-c2ccccc2)-c2ccccc2)c(=O)c2ccccc12
BDBM50008467 OC(=O)Cc1nn(Cc2csnc2-c2ccccc2)c(=O)c2ccccc12
BDBM50008468 OC(=O)Cc1nn(Cc2nc3cc(Br)ccc3o2)c(=O)c2ccccc12
BDBM50008469 OC(=O)Cc1nn(CC(=O)Nc2cc(ccc2O)C(F)(F)F)c(=O)c2ccccc12
BDBM50008470 OC(=O)Cc1nn(Cc2nc(no2)-c2ccccn2)c(=O)c2ccccc12
BDBM50008471 OC(=O)Cc1nn(Cc2nc3cc(F)cc(F)c3o2)c(=O)c2ccccc12
BDBM50008472 OC(=O)Cc1nn(Cc2nc(ns2)-c2ccccc2Cl)c(=O)c2ccccc12
BDBM50008473 OC(=O)Cc1nn(Cc2ncc(o2)-c2ccccc2)c(=O)c2ccccc12
BDBM50008474 OC(=O)Cc1nn(Cc2nc(ns2)-c2ccccc2)c(=O)c2ccccc12
BDBM50008475 OC(=O)Cc1nn(CC(=O)Nc2cc(ccc2Br)C(F)(F)F)c(=O)c2ccccc12
BDBM50008476 OC(=O)Cc1nn(Cc2cc3cc(Cl)ccc3s2)c(=O)c2ccccc12
BDBM50008477 OC(=O)Cc1nn(Cc2cc(ns2)-c2ccccc2)c(=O)c2ccccc12
BDBM50008478 OC(=O)Cc1nn(Cc2nc3cc(ccc3o2)C(F)(F)F)c(=O)c2ccccc12
BDBM50008479 OC(=O)Cc1nn(Cc2nc(no2)-c2cccc(F)c2F)c(=O)c2ccccc12
BDBM50008480 OC(=O)Cc1nn(Cc2nc(no2)-c2ccccc2Br)c(=O)c2ccccc12
BDBM50008481 OC(=O)Cc1nn(CC(=O)Nc2ccc(Cl)cc2)c(=O)c2ccccc12
BDBM50008482 OC(=O)Cc1nn(Cc2nc(no2)-c2ccccc2Cl)c(=O)c2ccccc12
BDBM50008483 OC(=O)Cc1nn(Cc2nc(no2)-c2c(F)cccc2Cl)c(=O)c2ccccc12
BDBM50008484 OC(=O)Cc1nn(CC(=O)Nc2cccc(c2)C(F)(F)F)c(=O)c2ccccc12
BDBM50008485 OC(=O)Cc1nn(Cc2csc(n2)-c2ccccc2)c(=O)c2ccccc12
BDBM50008486 OC(=O)Cc1nn(Cc2nc(cs2)-c2ccccc2)c(=O)c2ccccc12
BDBM50008487 OC(=O)Cc1nn(CC(=O)Nc2cc(cc(c2Br)C(F)(F)F)C(F)(F)F)c(=O)c2ccccc12
BDBM50008488 OC(=O)Cc1nn(Cc2ccc3ccccc3n2)c(=O)c2ccccc12
BDBM50008489 OC(=O)Cc1nn(Cc2cc3ccccc3s2)c(=O)c2ccccc12
BDBM50008490 OC(=O)Cc1nn(CC(=O)Nc2ccccc2Cl)c(=O)c2ccccc12
BDBM50008491 OC(=O)Cc1nn(Cc2nc(no2)-c2ccc(F)cc2F)c(=O)c2ccccc12
BDBM50008492 OC(=O)Cc1nn(Cc2cn3ccc(Cl)cc3n2)c(=O)c2ccccc12
BDBM50008493 OC(=O)Cc1nn(Cc2cc3cc(Cl)ccc3o2)c(=O)c2ccccc12
BDBM50008494 OC(=O)Cc1nn(Cc2nc(co2)-c2ccccc2)c(=O)c2ccccc12
BDBM50006458 OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c2ccc(Cl)cc12
BDBM50006459 OC(=O)Cc1nn(Cc2nc3cc(F)cc(F)c3s2)c(=O)c2CCCCc12
BDBM50006460 OC(=O)Cc1nn(Cc2ccc(Br)cc2F)c2ccccc12
BDBM50006461 OC(=O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2CCCCc12
BDBM50006462 OC(=O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2cc3ccccc3cc12
BDBM50006463 OC(=O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2ccccc12
BDBM50006464 Cc1cc(=O)n(Cc2nc3cc(ccc3s2)C(F)(F)F)nc1CC(O)=O
BDBM50006465 OC(=O)Cc1nn(Cc2nc3cc(F)cc(F)c3s2)c2ccccc12
BDBM50006466 Cc1c(C)c(=O)n(Cc2ccc(Br)cc2F)nc1CC(O)=O
BDBM50006467 OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c2ccccc12
BDBM50006468 OC(=O)Cc1nn(Cc2nc3ccccc3o2)c2ccc(Cl)cc12
BDBM50006469 OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ncccc12
BDBM50006470 OC(=O)Cc1nn(Cc2nc3cc(F)ccc3s2)c2ccc(Cl)cc12
BDBM50006471 OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2CCCCc12
BDBM50006472 OC(=O)Cc1ccc(=O)n(Cc2nc3cc(ccc3s2)C(F)(F)F)n1
BDBM50006473 Cc1c(CC(O)=O)nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c1C
BDBM50006474 OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2cccnc12
BDBM50006475 Cc1c(C)c(=O)n(Cc2nc(no2)-c2cccc(F)c2F)nc1CC(O)=O
BDBM50006476 OC(=O)Cc1nn(Cc2nc3cc(F)cc(F)c3s2)c(=O)c2cccnc12
BDBM50006477 OC(=O)Cc1nn(Cc2nc3cc(F)cc(F)c3s2)c2ccc(Cl)cc12
BDBM50006478 OC(=O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2cc3ccccc3cc12
BDBM50006479 OC(=O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ncccc12
BDBM50006480 OC(=O)Cc1nn(Cc2nc3ccccc3s2)c2ccccc12
BDBM50006481 Cc1c(CC(O)=O)nn(Cc2nc3cc(F)cc(F)c3s2)c(=O)c1C
BDBM50006482 OC(=O)Cc1nn(Cc2nc3cc(Br)ccc3s2)c2ccc(Cl)cc12
BDBM50006483 OC(=O)Cc1nn(Cc2nc3ccccc3s2)c2ccc(Cl)cc12
BDBM50006492 C[C@@H]1C[C@@](O)(CC(O)=O)C2=C(O1)C=CCC2(C)[N+]([O-])=O |c:9,13|
BDBM50006493 C[C@@H]1C[C@@](O)(CC(O)=O)c2ccc(cc2O1)C(O)=O
BDBM50006494 C[C@@H]1C[C@@](O)(CC(O)=O)c2c(O1)ccc(Cl)c2[N+]([O-])=O
BDBM50006496 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Cl)c(Br)cc2O1
BDBM50006497 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(ccc2O1)S(C)(=O)=O
BDBM50006498 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)c(F)cc2O1
BDBM50006499 OC(=O)C[C@]1(O)C[C@@H](CCc2ccccc2)Oc2ccc(F)cc12
BDBM50006500 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Cl)c(OCc3ccccc3)cc2O1
BDBM50006505 OC(=O)C[C@]1(O)C[C@H](Oc2ccc(F)cc12)C(=O)c1ccc(Cl)c(Cl)c1
BDBM50006353 CN1C(=O)Nc2cc(Cl)c(cc2C11NC(=O)NC1=O)[N+]([O-])=O
BDBM50006354 CN1C(=O)Nc2ccc(cc2C11NC(=O)NC1=O)[N+]([O-])=O
BDBM50006357 CN1C(=O)Nc2c(F)c(F)c(F)cc2C11NC(=O)NC1=O
BDBM50006506 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)ccc2O1
BDBM50006507 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)c(Br)cc2O1
BDBM50006363 CN1C(=O)Nc2ccccc2C11NC(=O)N(CC(O)=O)C1=O
BDBM50006366 CC(C)CN1C(=O)N(C)C2(NC(=O)NC2=O)c2ccccc12
BDBM50006367 CN1C(=O)Nc2cc(N3CCOCC3)c(cc2C11NC(=O)NC1=O)[N+]([O-])=O
BDBM50006508 CC(C)(C)[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)ccc2O1
BDBM50006509 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(C#N)c(F)cc2O1
BDBM50006510 C[C@@H]1C[C@@](O)(CC(O)=O)c2ccc(Cl)c(Cl)c2O1
BDBM50006368 O=C1NC(=O)C2(N1)N(Cc1ccccc1)C(=O)Nc1ccccc21
BDBM50006373 CCCCN1C(=O)Nc2ccccc2C11NC(=O)NC1=O
BDBM50006374 CN1C(=O)Nc2ccc(c(Cl)c2C11NC(=O)NC1=O)[N+]([O-])=O
BDBM50006511 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Cl)cc(C)c2O1
BDBM50006512 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Cl)ccc2O1
BDBM50006513 COc1cc2O[C@H](C)C[C@@](O)(CC(O)=O)c2cc1Cl
BDBM50006375 COc1cc2NC(=O)N(C)C3(NC(=O)NC3=O)c2cc1Cl
BDBM50006380 CN1C(=O)Nc2cc(ccc2C11NC(=O)NC1=O)[N+]([O-])=O
BDBM50006381 CN1C(=O)Nc2ccc(OC(=O)C=Cc3ccccc3)cc2C11NC(=O)NC1=O |w:13.13|
BDBM50006514 C[C@@H]1C[C@@](O)(CC(O)=O)c2ccc(Cl)cc2O1
BDBM50006515 C[C@@H]1C[C@@](O)(CC(O)=O)c2ccccc2O1
BDBM50006516 C[C@@H]1C[C@@](O)(CC(O)=O)c2c(Br)c(F)ccc2O1
BDBM50006387 CN1C(=O)Nc2c(cc(cc2C11NC(=O)NC1=O)[N+]([O-])=O)[N+]([O-])=O
BDBM50006388 O=C1NC(=O)C2(N1)N(C(=O)Nc1ccccc21)c1ccccc1
BDBM50006392 COc1c(Cl)cc2c(NC(=O)N(C)C22NC(=O)NC2=O)c1Cl
BDBM50006517 OC(=O)C[C@]1(O)[C@H]2CCC[C@H]2Oc2ccc(F)cc12
BDBM50006518 OC(=O)C[C@]1(O)[C@H]2CCCC[C@H]2Oc2ccc(F)cc12
BDBM50006519 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Cl)c(F)cc2O1
BDBM50006393 CCOC(=O)c1ccc2NC(=O)N(C)C3(NC(=O)NC3=O)c2c1
BDBM50006404 CN1C(=O)Nc2c(cc(Cl)cc2C11NC(=O)NC1=O)[N+]([O-])=O
BDBM50006405 CN1C(=O)Nc2ccc(OC(=O)c3ccccc3)cc2C11NC(=O)NC1=O
BDBM50006520 C[C@@H]1C[C@@](O)(CC(O)=O)c2c(Cl)c(Cl)ccc2O1
BDBM50006521 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Cl)cc(Cl)c2O1
BDBM50006522 C[C@@H]1C[C@@](O)(CC(O)=O)c2ccc(F)cc2O1
BDBM50006406 CN1C(=O)Nc2cc3OCOc3cc2C11NC(=O)NC1=O
BDBM50006523 OC(=O)C[C@]1(O)CCOc2ccc(F)cc12
BDBM50006524 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Cl)c(C)cc2O1
BDBM50006525 COc1ccc2O[C@H](C)C[C@@](O)(CC(O)=O)c2c1
BDBM50006526 C[C@@H]1COc2ccc(F)cc2[C@]1(O)CC(O)=O
BDBM50006527 CC1(C)C[C@@](O)(CC(O)=O)c2cc(Cl)c(Cl)cc2O1
BDBM50006528 C[C@@H]1C[C@@](O)(CC(O)=O)c2c(Cl)ccc(Cl)c2O1
BDBM50006529 CCc1cc2O[C@H](C)C[C@@](O)(CC(O)=O)c2cc1Cl
BDBM50006530 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(c(F)cc2O1)[N+]([O-])=O
BDBM50006531 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Br)ccc2O1
BDBM50006532 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(ccc2O1)[N+]([O-])=O
BDBM50006533 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(c(C)cc2O1)[N+]([O-])=O
BDBM50006534 CC1(C)C[C@@](O)(CC(O)=O)c2cc(ccc2O1)[N+]([O-])=O
BDBM50006535 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Cl)c3ccccc3c2O1
BDBM50006484 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(C)ccc2O1
BDBM50006485 C[C@@H]1C[C@@](O)(CC(O)=O)c2c(Cl)cccc2O1
BDBM50006540 OC(=O)C[C@]1(O)C[C@H](Oc2ccc(F)cc12)c1ccccc1
BDBM50006486 CC1(C)C[C@@](O)(CC(O)=O)c2c(Cl)c(Cl)ccc2O1
BDBM50006487 C[C@@H]1C[C@@](O)(CC(O)=O)c2c(Cl)cc(Cl)cc2O1
BDBM50006488 CC[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)ccc2O1
BDBM50006489 CC1(C)C[C@@](O)(CC(O)=O)c2cc(F)ccc2O1
BDBM50006490 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)c(Cl)cc2O1
BDBM50006491 CCC[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)ccc2O1
BDBM50006398 O=C1NC(=O)C2(N1)NC(=O)Nc1ccccc21
BDBM50006399 CN1C(=O)Nc2ccccc2[C@]11NC(=O)NC1=O
BDBM50006400 CN1C(=O)NC2(N(C)C(=O)Nc3ccccc23)C1=O
BDBM50006401 CN1C(=O)Nc2cccc(Cl)c2C11NC(=O)NC1=O
BDBM50006402 CN1C(=O)N(C)C2(N(C)C(=O)Nc3ccccc23)C1=O
BDBM50006403 CN1C(=O)Nc2ccc(Br)cc2C11NC(=O)NC1=O
BDBM50006501 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Br)cc(Cl)c2O1
BDBM50006502 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(Cl)c(Cl)cc2O1
BDBM50006503 CC(C)[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)ccc2O1
BDBM50006504 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(c(Cl)cc2O1)[N+]([O-])=O
BDBM50006536 C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(ccc2O1)C(C)=O
BDBM50006537 C[C@H]1Oc2ccc(F)cc2[C@](O)(CC(O)=O)[C@@H]1C
BDBM50006538 C[C@H]1Oc2ccc(F)cc2[C@](O)(CC(O)=O)[C@H]1C
BDBM50006539 C[C@@H]1C[C@@](O)(CC(O)=O)c2cccc(Cl)c2O1
BDBM50006352 NN1C(=O)Nc2ccccc2C11NC(=O)NC1=O
BDBM50006355 COc1ccc2c(NC(=O)N(C)C22NC(=O)NC2=O)c1
BDBM50006356 CN1C(=O)Nc2cccc(C)c2C11NC(=O)NC1=O
BDBM50006358 CN1C(=O)Nc2c(F)cccc2C11NC(=O)NC1=O
BDBM50006359 CN1C(=O)Nc2ccccc2C11NC(=S)NC1=O
BDBM50006360 COc1ccc2NC(=O)N(C)C3(NC(=O)NC3=O)c2c1
BDBM50006361 CN1C(=O)Nc2ccc(F)cc2C11NC(=O)NC1=O
BDBM50006362 CN1C(=O)Nc2cc(C)c(Cl)cc2C11NC(=O)NC1=O
BDBM50006364 CN1C(=O)Nc2ccccc2[C@@]11NC(=O)NC1=O
BDBM50006365 ON1C(=O)Nc2ccccc2C11NC(=O)NC1=O
BDBM50006369 CN1C(=O)Nc2ccc(Cl)cc2[C@@]11NC(=O)NC1=O
BDBM50006370 CN1C(=O)Nc2cc(Cl)c(Cl)cc2C11NC(=O)NC1=O
BDBM50006371 CN1C(=O)Nc2ccc(N)cc2C11NC(=O)NC1=O
BDBM50006372 CN1C(=O)Nc2c(Cl)cc(Cl)cc2C11NC(=O)NC1=O
BDBM50006376 CN1C(=O)Nc2ccccc2C11NC(=O)NC1=O
BDBM50006377 CN1C(=O)Nc2c(N)cc(Cl)cc2C11NC(=O)NC1=O
BDBM50006378 CN1C(=O)NC(=O)C11N(C)C(=O)Nc2ccccc12
BDBM50006379 CC(C)N1C(=O)Nc2ccccc2C11NC(=O)NC1=O
BDBM50006382 CN1C(=O)Nc2ccc(O)cc2C11NC(=O)NC1=O
BDBM50006383 CN1C(=O)Nc2ccc(F)cc2[C@]11NC(=O)NC1=O
BDBM50006384 CN1C(=O)Nc2ccccc2C11SC(N)=NC1=O |c:16|
BDBM50006385 CN1C(=O)Nc2ccccc2C11N=C(N)NC1=O |t:14|
BDBM50006386 CN1C(=O)N(C)C2(NC(=O)NC2=O)c2ccccc12
BDBM50006389 CN1C(=O)Nc2cc(Cl)ccc2C11NC(=O)NC1=O
BDBM50006390 CN1C(=O)Nc2cc(C)ccc2C11NC(=O)NC1=O
BDBM50006391 CN1C(=O)Nc2ccc(Cl)cc2C11NC(=O)NC1=O
BDBM50006394 CN1C(=O)Nc2ccc(C)cc2C11NC(=O)NC1=O
BDBM50006395 CCN1C(=O)Nc2ccccc2C11NC(=O)NC1=O
BDBM50006396 CN1C(=O)Nc2ccc(F)cc2[C@@]11NC(=O)NC1=O
BDBM50006397 CN1C(=O)Nc2ccc(Cl)cc2[C@]11NC(=O)NC1=O
BDBM50009848 CCOC(=O)C1CN([C@H](C)c2ccccc2)C(=O)C1=O
BDBM50009849 CCOC(=O)C1CN(Cc2ccc(Cl)cc2)C(=O)C1=O
BDBM50009850 CCOC(=O)C1CN(CCc2ccccc2)C(=O)C1=O
BDBM50009851 CCOC(=O)C1CN(Cc2ccc(OC)cc2)C(=O)C1=O
BDBM50009781 OC(=O)Cc1nn(Cc2nc3cc(Br)ccc3s2)c(=O)c2ccccc12
BDBM50009782 CSc1ccc2sc(Cn3nc(CC(O)=O)c4ccccc4c3=O)nc2c1
BDBM50009783 OC(=O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2cc(Cl)c(Cl)cc12
BDBM50009784 OC(=O)Cc1nn(Cc2nc3cc(Cl)cc(Cl)c3s2)c(=O)c2ccccc12
BDBM50009785 OC(=O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2cc(ccc12)[N+]([O-])=O
BDBM50009786 OC(=O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2cc(Br)ccc12
BDBM50009787 COc1ccc2sc(Cn3nc(CC(O)=O)c4ccccc4c3=O)nc2c1
BDBM50009788 Clc1ccc2N(Cc3nc4ccccc4s3)CC3(NC(=O)NC3=O)c2c1
BDBM50009789 CS(=O)c1ccc2sc(Cn3nc(CC(O)=O)c4ccccc4c3=O)nc2c1
BDBM50009790 Fc1ccc(CN2CC3(NC(=O)NC3=O)c3cc(F)ccc23)cc1
BDBM50009791 COc1cccc2sc(Cn3nc(CC(O)=O)c4ccccc4c3=O)nc12
BDBM50009792 Cc1ccc2sc(Cn3nc(CC(O)=O)c4ccccc4c3=O)nc2c1
BDBM50009793 OC(=O)Cc1nn(Cc2nc3c(cccc3s2)C(F)(F)F)c(=O)c2ccccc12
BDBM50009794 Cc1cccc2c(CC(O)=O)nn(Cc3nc4c(ccc5ccccc45)s3)c(=O)c12
BDBM50009795 Cc1ccc2nc(Cn3nc(CC(O)=O)c4ccccc4c3=O)sc2c1F
BDBM50009796 OC(=O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2cc(Cl)ccc12
BDBM50009797 Cc1cccc2c(CC(O)=O)nn(Cc3nc4ccccc4s3)c(=O)c12
BDBM50009798 Cc1ccc2c(c1)c(CC(O)=O)nn(Cc1nc3ccccc3s1)c2=O
BDBM50009799 COc1cc2nc(Cn3nc(CC(O)=O)c4ccccc4c3=O)sc2cc1F
BDBM50009800 OC(=O)Cc1nn(Cc2nc3cc(c(O)cc3s2)C(F)(F)F)c(=O)c2ccccc12
BDBM50009801 OC(=O)Cc1nn(Cc2nc3c(Cl)ccc(Cl)c3s2)c(=O)c2ccccc12
BDBM50009802 CC(c1nc2cc(ccc2s1)C(F)(F)F)n1nc(CC(O)=O)c2ccccc2c1=O
BDBM50009803 OC(=O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2ccc(Cl)cc12
BDBM50009804 OC(=O)Cc1nn(Cc2nc3cc(F)ccc3s2)c(=O)c2ccccc12
BDBM50009805 OC(=O)Cc1nn(Cc2nc3cc(F)cc(c3s2)C(F)(F)F)c(=O)c2ccccc12
BDBM50009806 OC(=O)Cc1nn(Cc2nc3cccc(Cl)c3s2)c(=O)c2ccccc12
BDBM50009807 OC(=O)Cc1nn(Cc2nc3ccc(Br)cc3s2)c(=O)c2cc(Cl)c(Cl)cc12
BDBM50009808 OC(=O)Cc1nn(Cc2cccc(c2)-c2nc3ccccc3s2)c(=O)c2ccccc12
BDBM50009809 COc1ccc2nc(Cn3nc(CC(O)=O)c4ccccc4c3=O)sc2c1
BDBM50009810 OC(=O)Cc1nn(Cc2nc3c(F)c(F)ccc3s2)c(=O)c2ccccc12
BDBM50009811 OC(=O)Cc1nn(Cc2nc3c(ccc4ccccc34)s2)c(=O)c2ccccc12
BDBM50009812 CS(=O)(=O)c1ccc2sc(Cn3nc(CC(O)=O)c4ccccc4c3=O)nc2c1
BDBM50009813 CC(c1nc2cc(Cl)ccc2s1)n1nc(CC(O)=O)c2ccccc2c1=O
BDBM50009814 OC(=O)Cc1nn(Cc2nc3cccc(c3s2)C(F)(F)F)c(=O)c2ccccc12
BDBM50009815 CC(C)c1ccc2nc(Cn3nc(CC(O)=O)c4ccccc4c3=O)sc2c1
BDBM50009816 CC(c1nc2ccccc2s1)n1nc(CC(O)=O)c2ccccc2c1=O
BDBM50009817 OC(=O)Cc1nn(Cc2nc3ccc(Br)cc3s2)c(=O)c2ccccc12
BDBM50009818 CC(C)c1ccc2c(CC(O)=O)nn(Cc3nc4ccccc4s3)c(=O)c2c1
BDBM50009819 OC(=O)Cc1nn(CCc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12
BDBM50009820 COc1cc(c2sc(Cn3nc(CC(O)=O)c4ccccc4c3=O)nc2c1)C(F)(F)F
BDBM50009821 CC(C)c1ccc2c(c1)c(CC(O)=O)nn(Cc1nc3ccccc3s1)c2=O
BDBM50009822 OC(=O)Cc1nn(-c2nc3ccccc3s2)c(=O)c2ccccc12
BDBM50009823 COc1ccc2c(c1)c(CC(O)=O)nn(Cc1nc3ccccc3s1)c2=O
BDBM50009824 OC(=O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2ccc(cc12)[N+]([O-])=O
BDBM50009825 OC(=O)Cc1nn(Cc2nc3cc(cc(c3s2)C(F)(F)F)C(F)(F)F)c(=O)c2ccccc12
BDBM50009826 OC(=O)Cc1nn(Cc2nc3ccc(O)cc3s2)c(=O)c2ccccc12
BDBM50009827 OC(=O)Cc1nn(Cc2nc3c(Cl)cc(Cl)cc3s2)c(=O)c2ccccc12
BDBM50009828 OC(=O)Cc1nn(Cc2nc3c(Cl)cccc3s2)c(=O)c2ccccc12
BDBM50009829 OC(=O)Cc1nn(Cc2nc3cc(Cl)ccc3s2)c(=O)c2ccccc12
BDBM50009833 CCOC(=O)C1CN(C2c3ccccc3-c3ccccc23)C(=O)C1=O
BDBM50009830 CCOC(=O)C1CN(Cc2ccccn2)C(=O)C1=O
BDBM50009831 CCOC(=O)C1CN(Cc2ccc(Br)cc2)C(=O)C1=O
BDBM50009832 CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O
BDBM50009835 CCOC(=O)C1CN(Cc2ccncc2)C(=O)C1=O
BDBM50009836 CCOC(=O)C1CN([C@@H](C)c2ccccc2)C(=O)C1=O
BDBM50009837 CCOC(=O)C1CN(Cc2cccs2)C(=O)C1=O
BDBM50009838 CCCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O
BDBM50009840 COC(=O)C1CN(Cc2ccccc2)C(=O)C1=O
BDBM50009842 CCOC(=O)C1CN(Cc2ccco2)C(=O)C1=O
BDBM50009843 CCOC(=O)C1CN(Cc2cccc3ccccc23)C(=O)C1=O
BDBM50009845 CCOC(=O)C1CN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=O
BDBM50009748 OC(=O)Cc1nn(Cc2nc3cc(Cl)c(F)cc3s2)c(=O)c2ccccc12
BDBM50009749 OC(=O)Cc1nn(Cc2nc3cc(F)cc(Cl)c3s2)c(=O)c2ccccc12
BDBM50009750 OC(=O)Cc1nn(Cc2nc3c(F)ccc(F)c3s2)c(=O)c2ccccc12
BDBM50009751 OC(=O)Cc1nn(Cc2nc3cc(cc(Cl)c3s2)C(F)(F)F)c(=O)c2ccccc12
BDBM50009752 OC(=O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2c(F)cccc12
BDBM50009753 OC(=O)Cc1nn(CSc2nc3ccccc3s2)c(=O)c2ccccc12
BDBM50009754 OC(=O)Cc1nn(Cc2nc3ccc(Cl)cc3s2)c(=O)c2ccccc12
BDBM50009755 OC(=O)Cc1nn(Cc2nc3cccc(Br)c3s2)c(=O)c2ccccc12
BDBM50009756 OC(=O)Cc1nn(Cc2nc3cc(O)ccc3s2)c(=O)c2ccccc12
BDBM50009757 OC(=O)Cc1nn(Cc2nc3cc(F)cc(F)c3s2)c(=O)c2ccccc12
BDBM50009758 OC(=O)Cc1nn(Cc2nc3c(O)cccc3s2)c(=O)c2ccccc12
BDBM50009759 OC(=O)Cc1nn(Cc2nc3cc(Cl)cc(F)c3s2)c(=O)c2ccccc12
BDBM50009760 CN1C(C(=O)Nc2nc3ccccc3s2)=C(O)c2ccccc2S1(=O)=O |t:16|
BDBM50009761 COc1ccc2c(CC(O)=O)nn(Cc3nc4ccccc4s3)c(=O)c2c1
BDBM50009762 OC(=O)Cc1nn(Cc2nc3cc(Cl)cc(c3s2)C(F)(F)F)c(=O)c2ccccc12
BDBM50009763 OC(=O)Cc1nn(Cc2nc3c(F)cccc3s2)c(=O)c2ccccc12
BDBM50009764 OC(=O)Cc1nn(Cc2nc3cc(F)c(F)cc3s2)c(=O)c2ccccc12
BDBM50009765 COc1cc2sc(Cn3nc(CC(O)=O)c4ccccc4c3=O)nc2cc1C(F)(F)F
BDBM50009766 OC(=O)Cc1nn(Cc2nc3c(Cl)c(Cl)ccc3s2)c(=O)c2ccccc12
BDBM50009767 OC(=O)Cc1nn(Cc2nc3ccc(cc3s2)C(F)(F)F)c(=O)c2ccccc12
BDBM50009768 OC(=O)Cc1nn(Cc2nc3c(ccc4ccccc34)s2)c(=O)c2ccc(Cl)cc12
BDBM50009769 OC(=O)Cc1nn(Cc2nc3cccnc3s2)c(=O)c2ccccc12
BDBM50009770 Cc1ccc2nc(Cn3nc(CC(O)=O)c4ccccc4c3=O)sc2c1
BDBM50009771 OC(=O)Cc1nn(Cc2nc3cc(O)cc(O)c3s2)c(=O)c2ccccc12
BDBM50009772 COc1cc(OC)c2sc(Cn3nc(CC(O)=O)c4ccccc4c3=O)nc2c1
BDBM50009773 OC(=O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2ccc(cc12)C(F)(F)F
BDBM50009774 Cc1cc(C)c2sc(Cn3nc(CC(O)=O)c4ccccc4c3=O)nc2c1
BDBM50009775 OC(=O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2cc(ccc12)C(F)(F)F
BDBM50009776 OC(=O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2ccc(Br)cc12
BDBM50009777 OC(=O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12
BDBM50009778 OC(=O)Cc1nn(Cc2ccc(cc2)-c2nc3ccccc3s2)c(=O)c2ccccc12
BDBM50009779 OC(=O)Cc1nn(Cc2nc3cc(Cl)c(Cl)cc3s2)c(=O)c2ccccc12
BDBM50009780 OC(=O)Cc1nn(Cc2nc3cc(cc(F)c3s2)C(F)(F)F)c(=O)c2ccccc12
BDBM50009846 CCOC(=O)C1CN(Cc2ccccc2Cl)C(=O)C1=O
BDBM50012760 C[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)cnc2O1
BDBM50012761 C[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(Br)cnc2O1
BDBM50012762 C[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(Cl)c[n+]([O-])c2O1
BDBM50012763 C[C@H]1C[C@@]2(NC(=O)NC2=O)c2cc(Cl)cnc2O1
BDBM50012764 C[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(Cl)cnc2O1
BDBM50012765 Clc1cnc2OCC[C@]3(NC(=O)NC3=O)c2c1
BDBM50012766 C[C@@H]1C[C@]2(NC(=O)NC2=O)c2cccnc2O1
BDBM50012767 C[C@H]1C[C@]2(NC(=O)NC2=O)c2cc(Cl)cnc2O1
BDBM50010435 CCCC(=O)Oc1c(c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c2c1OC(=O)CCC |(9.95,3.14,;9.19,1.81,;9.97,.48,;9.2,-.86,;7.66,-.86,;9.99,-2.2,;9.99,-3.74,;8.66,-4.51,;8.66,-6.07,;8.68,-7.17,;9.99,-6.82,;11.29,-6.07,;12.61,-6.82,;12.61,-8.36,;13.96,-9.15,;11.29,-9.15,;13.96,-6.07,;15.31,-6.84,;13.96,-4.51,;15.31,-3.72,;12.61,-3.74,;12.61,-2.2,;12.61,-.66,;11.29,-4.51,;6,-4.51,;6,-6.07,;6,-7.17,;4.67,-6.82,;3.37,-6.07,;2.04,-6.82,;2.04,-8.36,;.71,-9.15,;3.37,-9.15,;.71,-6.07,;-.65,-6.84,;.71,-4.51,;-.65,-3.72,;2.04,-3.74,;2.04,-2.2,;2.04,-.66,;3.37,-4.51,;4.67,-3.74,;4.67,-2.2,;6,-1.43,;7.33,-2.2,;6,.11,;7.33,.88,;7.33,2.42,)|
BDBM50010436 COc1c(c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1OC |(9.55,-8.26,;8.21,-9.03,;8.21,-10.58,;9.55,-11.35,;9.55,-12.91,;9.55,-14.01,;8.21,-13.65,;6.92,-12.91,;5.59,-13.65,;5.59,-15.21,;6.92,-15.98,;4.26,-15.98,;4.26,-12.91,;2.92,-13.69,;4.26,-11.35,;2.92,-10.58,;5.59,-10.58,;5.59,-9.03,;4.5,-7.93,;6.92,-11.35,;12.21,-11.35,;12.21,-12.91,;12.24,-14.01,;13.55,-13.65,;14.86,-12.91,;16.19,-13.65,;16.19,-15.21,;17.54,-15.98,;14.86,-15.98,;17.54,-12.91,;18.85,-13.69,;17.54,-11.35,;18.85,-10.58,;16.19,-10.58,;16.18,-9.03,;17.26,-7.93,;14.86,-11.35,;13.55,-10.58,;13.55,-9.03,;12.21,-8.26,)|
BDBM50010437 CC(C)c1c(O)c(O)c(C#N)c2c(OC(=O)C(C)(C)C)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c2c1OC(=O)C(C)(C)C |(11.54,-10.43,;12.87,-9.66,;14.22,-10.43,;12.87,-8.1,;14.22,-7.35,;15.53,-8.14,;14.22,-5.8,;15.53,-5.03,;12.87,-5.03,;12.87,-3.48,;12.84,-1.94,;11.54,-5.8,;10.23,-5.03,;10.23,-3.48,;11.57,-2.71,;10.23,-1.94,;11.58,-1.17,;12.91,-.41,;10.25,-.4,;11.18,.32,;8.89,-5.8,;8.89,-7.35,;8.92,-8.46,;10.23,-8.1,;11.54,-7.35,;6.23,-5.8,;6.23,-7.35,;6.23,-8.46,;4.89,-8.1,;3.61,-7.35,;2.28,-8.1,;2.28,-9.66,;.94,-10.43,;3.61,-10.43,;.94,-7.35,;-.39,-8.14,;.94,-5.8,;-.39,-5.03,;2.28,-5.03,;2.28,-3.48,;2.25,-1.94,;3.61,-5.8,;4.89,-5.03,;4.89,-3.48,;6.22,-2.7,;7.56,-3.46,;6.2,-1.15,;4.87,-.4,;5.8,.34,;7.54,-.37,)|
BDBM50010438 CC(C)c1c(O)c(O)c(C#N)c2c(OC(C)=O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c2c1OC(C)=O |(.71,-9.15,;2.04,-8.36,;3.37,-9.15,;2.04,-6.82,;.71,-6.07,;-.65,-6.84,;.71,-4.51,;-.65,-3.72,;2.04,-3.74,;2.04,-2.2,;2.04,-.66,;3.37,-4.51,;4.67,-3.74,;4.67,-2.2,;6,-1.42,;7.33,-2.18,;5.98,.12,;6,-4.51,;6,-6.07,;6,-7.17,;4.67,-6.82,;3.37,-6.07,;8.66,-4.51,;8.66,-6.07,;8.68,-7.17,;9.99,-6.82,;11.29,-6.07,;12.61,-6.82,;12.61,-8.36,;13.96,-9.15,;11.29,-9.15,;13.96,-6.07,;15.31,-6.84,;13.96,-4.51,;15.31,-3.72,;12.61,-3.74,;12.61,-2.2,;12.61,-.66,;11.29,-4.51,;9.99,-3.74,;9.99,-2.2,;8.89,-1.1,;7.4,-1.49,;9.29,.39,)|
BDBM50010439 CCC(=O)Oc1c(c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c2c1OC(=O)CC |(7.33,.88,;6,.11,;6,-1.43,;7.33,-2.2,;4.67,-2.2,;4.67,-3.74,;6,-4.51,;6,-6.07,;6,-7.17,;4.67,-6.82,;3.37,-6.07,;2.04,-6.82,;2.04,-8.36,;.71,-9.15,;3.37,-9.15,;.71,-6.07,;-.65,-6.84,;.71,-4.51,;-.65,-3.72,;2.04,-3.74,;2.04,-2.2,;2.04,-.66,;3.37,-4.51,;8.66,-4.51,;8.66,-6.07,;8.68,-7.17,;9.99,-6.82,;11.29,-6.07,;12.61,-6.82,;12.61,-8.36,;13.96,-9.15,;11.29,-9.15,;13.96,-6.07,;15.31,-6.84,;13.96,-4.51,;15.31,-3.72,;12.61,-3.74,;12.61,-2.2,;12.61,-.66,;11.29,-4.51,;9.99,-3.74,;9.99,-2.2,;9.2,-.86,;7.66,-.86,;9.97,.48,;9.19,1.81,)|
BDBM50010440 CCCCCC(=O)Oc1c(c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c2c1OC(=O)CCCCC |(9.32,2.54,;9.32,1,;7.99,.21,;8.01,-1.33,;9.34,-2.08,;9.36,-3.62,;10.69,-4.39,;8.03,-4.41,;8.03,-5.95,;9.36,-6.72,;9.36,-8.27,;9.36,-9.38,;8.03,-9.01,;6.75,-8.27,;5.42,-9.01,;5.42,-10.57,;6.75,-11.34,;4.09,-11.34,;4.09,-8.27,;2.76,-9.05,;4.09,-6.72,;2.75,-5.95,;5.42,-5.95,;5.42,-4.41,;5.4,-2.87,;6.75,-6.72,;12.02,-6.72,;12.02,-8.27,;12.05,-9.38,;13.35,-9.01,;14.66,-8.27,;15.99,-9.01,;15.99,-10.57,;17.34,-11.34,;14.66,-11.34,;17.34,-8.27,;18.67,-9.05,;17.34,-6.72,;18.67,-5.93,;15.99,-5.95,;15.99,-4.41,;15.97,-2.87,;14.66,-6.72,;13.35,-5.95,;13.35,-4.41,;12.02,-3.62,;13.52,-3.23,;12.04,-2.08,;13.38,-1.33,;13.38,.21,;12.05,1,;12.05,2.54,)|
BDBM50010442 COc1c(OC)c(C(C)C)c2cc(C)c(c(OC)c2c1C=O)-c1c(C)cc2c(C(C)C)c(OC)c(OC)c(C=O)c2c1OC |(1.43,-5.97,;2.77,-5.2,;4.1,-5.97,;4.1,-7.53,;2.77,-8.31,;1.41,-7.55,;5.43,-8.28,;5.43,-9.83,;4.1,-10.62,;6.77,-10.62,;6.77,-7.53,;8.07,-8.28,;9.38,-7.53,;9.38,-8.65,;9.38,-5.97,;8.07,-5.2,;8.07,-3.66,;9.41,-2.88,;6.77,-5.97,;5.43,-5.2,;5.43,-3.66,;6.77,-2.9,;12.07,-5.97,;12.07,-7.53,;12.09,-8.65,;13.38,-8.28,;14.71,-7.53,;16.02,-8.28,;16.02,-9.83,;17.38,-10.62,;14.71,-10.62,;17.38,-7.53,;18.71,-8.31,;20.05,-7.56,;17.38,-5.97,;18.71,-5.2,;20.05,-5.97,;16.02,-5.2,;16.02,-3.66,;17.38,-2.9,;14.71,-5.97,;13.38,-5.2,;13.38,-3.66,;12.05,-2.9,)|
BDBM50010443 COc1c(OC)c(C(C)C)c2cc(C)c(c(O)c2c1C=O)-c1c(C)cc2c(C(C)C)c(OC)c(OC)c(C=O)c2c1O |(1.57,-11.37,;2.92,-10.58,;4.26,-11.35,;4.26,-12.91,;2.92,-13.69,;1.57,-12.91,;5.59,-13.65,;5.59,-15.21,;6.92,-15.98,;4.26,-15.98,;6.92,-12.91,;8.21,-13.65,;9.55,-12.91,;9.55,-14.01,;9.55,-11.35,;8.21,-10.58,;8.21,-9.03,;6.92,-11.35,;5.59,-10.58,;5.59,-9.03,;4.26,-8.26,;12.21,-11.35,;12.21,-12.91,;12.24,-14.01,;13.55,-13.65,;14.86,-12.91,;16.19,-13.65,;16.19,-15.21,;17.54,-15.98,;14.86,-15.98,;17.54,-12.91,;18.85,-13.69,;20.21,-12.91,;17.54,-11.35,;18.85,-10.58,;20.21,-11.35,;16.19,-10.58,;16.18,-9.03,;17.51,-8.26,;14.86,-11.35,;13.55,-10.58,;13.55,-9.03,)|
BDBM50010444 CCCCC(=O)Oc1c(c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c2c1OC(=O)CCCC |(8.66,3.2,;7.33,2.42,;7.33,.88,;6,.11,;6,-1.43,;7.33,-2.2,;4.67,-2.2,;4.67,-3.74,;6,-4.51,;6,-6.07,;6,-7.17,;4.67,-6.82,;3.37,-6.07,;2.04,-6.82,;2.04,-8.36,;.71,-9.15,;3.37,-9.15,;.71,-6.07,;-.65,-6.84,;.71,-4.51,;-.65,-3.72,;2.04,-3.74,;2.04,-2.2,;2.04,-.66,;3.37,-4.51,;8.66,-4.51,;8.66,-6.07,;8.68,-7.17,;9.99,-6.82,;11.29,-6.07,;12.61,-6.82,;12.61,-8.36,;13.96,-9.15,;11.29,-9.15,;13.96,-6.07,;15.31,-6.84,;13.96,-4.51,;15.31,-3.72,;12.61,-3.74,;12.61,-2.2,;12.61,-.66,;11.29,-4.51,;9.99,-3.74,;9.99,-2.2,;9.2,-.86,;7.66,-.86,;9.97,.48,;9.19,1.81,;9.95,3.14,;9.18,4.47,)|
BDBM50010445 COc1c2C(=O)Oc3c(c(C)cc(c(C(C)C)c1OC)c23)-c1c2OC(=O)c3c(OC)c(OC)c(C(C)C)c(cc1C)c23 |(20.21,-11.35,;18.85,-10.58,;17.54,-11.35,;16.19,-10.58,;16.18,-9.03,;17.26,-7.93,;13.55,-9.03,;13.55,-10.58,;12.21,-11.35,;12.21,-12.91,;12.24,-14.01,;13.55,-13.65,;14.86,-12.91,;16.19,-13.65,;16.19,-15.21,;17.54,-15.98,;14.86,-15.98,;17.54,-12.91,;18.85,-13.69,;20.21,-12.91,;14.86,-11.35,;9.55,-11.35,;8.21,-10.58,;8.21,-9.03,;5.59,-9.03,;4.5,-7.93,;5.59,-10.58,;4.26,-11.35,;2.92,-10.58,;1.57,-11.37,;4.26,-12.91,;2.92,-13.69,;1.57,-12.91,;5.59,-13.65,;5.59,-15.21,;6.92,-15.98,;4.26,-15.98,;6.92,-12.91,;8.21,-13.65,;9.55,-12.91,;9.55,-14.01,;6.92,-11.35,)|
BDBM50010446 COc1c(O)c(C=O)c2c(O)c(c(C)cc2c1C(C)C)-c1c(C)cc2c(C(C)C)c(OC)c(O)c(C=O)c2c1O |(5.52,-15.79,;4.18,-15.03,;2.85,-15.81,;2.87,-17.36,;4.21,-18.11,;1.54,-18.13,;1.55,-19.67,;.22,-20.45,;.21,-17.37,;-1.11,-18.15,;-1.1,-19.69,;-2.45,-17.39,;-2.46,-15.86,;-3.81,-15.1,;-1.14,-15.08,;.21,-15.84,;1.52,-15.06,;1.51,-13.52,;2.84,-12.74,;.17,-12.76,;-3.78,-18.16,;-3.77,-19.71,;-2.43,-20.48,;-5.1,-20.49,;-6.44,-19.72,;-7.77,-20.5,;-7.77,-22.04,;-9.1,-22.81,;-6.43,-22.81,;-9.1,-19.73,;-10.44,-20.5,;-11.96,-19.65,;-9.1,-18.18,;-10.44,-17.41,;-7.77,-17.41,;-7.78,-15.87,;-6.45,-15.1,;-6.44,-18.18,;-5.11,-17.4,;-5.12,-15.86,)|
BDBM50010447 COc1c(c(C)cc2c(C(C)C)c(O)c(O)c(CO)c12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(CO)c2c1OC |(9.55,-8.26,;8.21,-9.03,;8.21,-10.58,;9.55,-11.35,;9.55,-12.91,;9.55,-14.01,;8.21,-13.65,;6.92,-12.91,;5.59,-13.65,;5.59,-15.21,;6.92,-15.98,;4.26,-15.98,;4.26,-12.91,;2.92,-13.69,;4.26,-11.35,;2.92,-10.58,;5.59,-10.58,;5.59,-9.03,;6.93,-8.26,;6.92,-11.35,;12.21,-11.35,;12.21,-12.91,;12.24,-14.01,;13.55,-13.65,;14.86,-12.91,;16.19,-13.65,;16.19,-15.21,;17.54,-15.98,;14.86,-15.98,;17.54,-12.91,;18.85,-13.69,;17.54,-11.35,;18.85,-10.58,;16.19,-10.58,;16.18,-9.03,;14.83,-8.26,;14.86,-11.35,;13.55,-10.58,;13.55,-9.03,;12.21,-8.26,)|
BDBM50010448 CC(C)c1c(O)c(O)c2C(=N)Oc3c(c(C)cc1c23)-c1c2OC(=N)c3c(O)c(O)c(C(C)C)c(cc1C)c23 |(17.54,-15.98,;16.19,-15.21,;14.86,-15.98,;16.19,-13.65,;17.54,-12.91,;18.85,-13.69,;17.54,-11.35,;18.85,-10.58,;16.19,-10.58,;16.18,-9.03,;17.26,-7.93,;13.55,-9.03,;13.55,-10.58,;12.21,-11.35,;12.21,-12.91,;12.24,-14.01,;13.55,-13.65,;14.86,-12.91,;14.86,-11.35,;9.55,-11.35,;8.21,-10.58,;8.21,-9.03,;5.59,-9.03,;4.5,-7.93,;5.59,-10.58,;4.26,-11.35,;2.92,-10.58,;4.26,-12.91,;2.92,-13.69,;5.59,-13.65,;5.59,-15.21,;6.92,-15.98,;4.26,-15.98,;6.92,-12.91,;8.21,-13.65,;9.55,-12.91,;9.55,-14.01,;6.92,-11.35,)|
BDBM50010449 CC(C)c1c(O)c(O)c2C(=O)Oc3c(c(C)cc1c23)-c1c2OC(=O)c3c(O)c(O)c(C(C)C)c(cc1C)c23 |(17.54,-15.98,;16.19,-15.21,;14.86,-15.98,;16.19,-13.65,;17.54,-12.91,;18.85,-13.69,;17.54,-11.35,;18.85,-10.58,;16.19,-10.58,;16.18,-9.03,;17.26,-7.93,;13.55,-9.03,;13.55,-10.58,;12.21,-11.35,;12.21,-12.91,;12.24,-14.01,;13.55,-13.65,;14.86,-12.91,;14.86,-11.35,;9.55,-11.35,;8.21,-10.58,;8.21,-9.03,;5.59,-9.03,;4.5,-7.93,;5.59,-10.58,;4.26,-11.35,;2.92,-10.58,;4.26,-12.91,;2.92,-13.69,;5.59,-13.65,;5.59,-15.21,;6.92,-15.98,;4.26,-15.98,;6.92,-12.91,;8.21,-13.65,;9.55,-12.91,;9.55,-14.01,;6.92,-11.35,)|
BDBM50010450 COc1c(c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c2c1OC |(9.55,-8.26,;8.21,-9.03,;8.21,-10.58,;9.55,-11.35,;9.55,-12.91,;9.55,-14.01,;8.21,-13.65,;6.92,-12.91,;5.59,-13.65,;5.59,-15.21,;6.92,-15.98,;4.26,-15.98,;4.26,-12.91,;2.92,-13.69,;4.26,-11.35,;2.92,-10.58,;5.59,-10.58,;5.59,-9.03,;5.57,-7.49,;6.92,-11.35,;12.21,-11.35,;12.21,-12.91,;12.24,-14.01,;13.55,-13.65,;14.86,-12.91,;16.19,-13.65,;16.19,-15.21,;17.54,-15.98,;14.86,-15.98,;17.54,-12.91,;18.85,-13.69,;17.54,-11.35,;18.85,-10.58,;16.19,-10.58,;16.18,-9.03,;16.16,-7.49,;14.86,-11.35,;13.55,-10.58,;13.55,-9.03,;12.21,-8.26,)|
BDBM50010451 C\C=C\C(=O)Oc1c(c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c2c1OC(=O)\C=C\C |(9.21,2.87,;9.21,1.32,;7.88,.55,;7.88,-.99,;9.21,-1.76,;6.55,-1.76,;6.55,-3.3,;7.88,-4.08,;7.88,-5.63,;7.88,-6.74,;6.55,-6.38,;5.25,-5.63,;3.91,-6.38,;3.91,-7.93,;5.25,-8.71,;2.58,-8.71,;2.58,-5.63,;1.25,-6.41,;2.58,-4.08,;1.25,-3.3,;3.91,-3.3,;3.91,-1.76,;3.9,-.22,;5.25,-4.08,;10.55,-4.08,;10.55,-5.63,;10.57,-6.74,;11.88,-6.38,;13.19,-5.63,;14.52,-6.38,;14.52,-7.93,;15.86,-8.71,;13.19,-8.71,;15.86,-5.63,;17.19,-6.41,;15.86,-4.08,;17.19,-3.3,;14.52,-3.3,;14.5,-1.76,;14.5,-.22,;13.19,-4.08,;11.88,-3.3,;11.88,-1.76,;13.21,-.99,;11.86,-.21,;13.21,.55,;14.54,1.32,;14.54,2.87,)|
BDBM50010283 Fc1ccc2-c3ccc(F)cc3C3(NC(=O)NC3=O)c2c1
BDBM50016651 Oc1[nH]c(=O)[nH]c1-c1cc(Cl)ccc1S(=O)(=O)NCCCCc1ccccc1
BDBM50016652 Oc1[nH]c(=O)[nH]c1-c1cc(Cl)ccc1S(=O)(=O)CCc1ccc(Cl)cc1
BDBM50016653 Oc1[nH]c(=O)[nH]c1-c1cc(Cl)ccc1S(=O)(=O)NCc1ccccc1
BDBM50016654 CCCCNS(=O)(=O)c1ccc(Cl)cc1-c1[nH]c(=O)[nH]c1O
BDBM50016655 CC(C)S(=O)(=O)c1ccc(Cl)cc1-c1[nH]c(=O)[nH]c1O
BDBM50016656 CS(=O)(=O)c1c(Cl)cc(Cl)cc1-c1[nH]c(=O)[nH]c1O
BDBM50016628 CS(=O)(=O)c1ccc(F)cc1-c1[nH]c(=O)[nH]c1O
BDBM50016629 Oc1[nH]c(=O)[nH]c1-c1cc(Cl)ccc1S(=O)(=O)NCCCc1ccccc1
BDBM50016630 CCCCCCS(=O)(=O)c1ccc(Cl)cc1-c1[nH]c(=O)[nH]c1O
BDBM50016631 CS(=O)c1ccc(Cl)cc1-c1[nH]c(=O)[nH]c1O
BDBM50016632 Oc1[nH]c(=O)[nH]c1-c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(F)cc1
BDBM50016633 CCCCCNS(=O)(=O)c1ccc(Cl)cc1-c1[nH]c(=O)[nH]c1O
BDBM50016634 CS(=O)(=O)c1ccc(Cl)cc1-c1[nH]c(=O)[nH]c1O
BDBM50016635 Oc1[nH]c(=O)[nH]c1-c1cc(Cl)ccc1S(=O)Cc1ccc(Cl)cc1
BDBM50016636 CN(C)S(=O)(=O)c1ccc(Cl)cc1-c1[nH]c(=O)[nH]c1O
BDBM50016637 Cc1cc(Cl)cc(-c2[nH]c(=O)[nH]c2O)c1S(C)(=O)=O
BDBM50016638 CCCS(=O)(=O)c1ccc(Cl)cc1-c1[nH]c(=O)[nH]c1O
BDBM50016639 COc1ccc(Cl)cc1-c1[nH]c(=O)[nH]c1O
BDBM50016640 CNS(=O)(=O)c1ccc(Cl)cc1-c1[nH]c(=O)[nH]c1O
BDBM50016641 CS(=O)(=O)c1c(cc(Cl)cc1C(F)(F)F)-c1[nH]c(=O)[nH]c1O
BDBM50016642 NS(=O)(=O)c1ccc(Cl)cc1-c1[nH]c(=O)[nH]c1O
BDBM50016643 COc1ccc(F)cc1-c1[nH]c(=O)[nH]c1O
BDBM50016644 CCS(=O)(=O)c1ccc(Cl)cc1-c1[nH]c(=O)[nH]c1O
BDBM50016645 Oc1[nH]c(=O)[nH]c1-c1cc(Cl)ccc1S(=O)(=O)Cc1ccc(Cl)cc1
BDBM50016646 CCCCCS(=O)(=O)c1ccc(Cl)cc1-c1[nH]c(=O)[nH]c1O
BDBM50016647 CCCNS(=O)(=O)c1ccc(Cl)cc1-c1[nH]c(=O)[nH]c1O
BDBM50016648 Oc1[nH]c(=O)[nH]c1-c1cc(Cl)ccc1SCc1ccc(Cl)cc1
BDBM50016649 CSc1ccc(Cl)cc1-c1[nH]c(=O)[nH]c1O
BDBM50016650 Oc1[nH]c(=O)[nH]c1-c1cc(Cl)ccc1S(=O)(=O)NCCc1ccccc1
BDBM50022274 OC(=O)Cc1ccc2c(SCc3ccccc3C2=O)c1
BDBM50022178 Cc1cc(=O)oc2cc(O)ccc12
BDBM50022494 Oc1[nH]c(=O)[nH]c1N1C(=O)c2cccc3cccc(C1=O)c23
BDBM50022182 OC(=O)Cc1cc(=O)oc2cc(O)ccc12
BDBM50022419 CN1C(=O)N[C@]2(CCOc3ccc(F)cc23)C1=O
BDBM50022260 O=C1Cc2ccc3c(CCc4ccccc4C3=O)c2O1
BDBM50022261 OC(=O)Cc1ccc2c(CCc3ccccc3C2=O)c1
BDBM50022262 CC(C(O)=O)c1cc(O)c2c(c1)ccc1ccccc1c2=O
BDBM50022263 OC(=O)Cc1cc(O)c2c(c1)ccc1ccccc1c2=O
BDBM50022264 OC(=O)Cc1ccc2c(CCc3ccc(O)cc3C2=O)c1
BDBM50022265 OC(=O)Cc1ccc2c(OCc3ccccc3C2=O)c1
BDBM50022266 CC(C(O)=O)c1ccc2c(c1)ccc1ccccc1c2=O
BDBM50022267 OC(=O)Cc1ccc2c(CCc3cccc(O)c3C2=O)c1
BDBM50022268 OC(=O)Cc1ccc2c(c1)ccc1ccccc1c2=O
BDBM50022269 OC(=O)Cc1cc(O)c2c(CCc3ccccc3C2=O)c1
BDBM50022270 OC(=O)Cc1ccc2c(CCc3ccccc3C2=O)c1O
BDBM50022271 CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1
BDBM50022272 OC(=O)Cc1ccc2c(CCc3cc(O)ccc3C2=O)c1
BDBM50022273 CC(C(O)=O)c1cc(O)c2c(CCc3ccccc3C2=O)c1
BDBM50028365 CN(C)S(=O)(=O)c1ccc2oc3ccc(cc3c(=O)c2c1)C(O)=O
BDBM50029198 Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1O
BDBM50029207 Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O
BDBM50025972 OC(=O)C1=CC(=O)C2=CCC(=O)CC2O1 |t:3,7|
BDBM50025973 CCOC(=O)c1cc(=O)c2ccc(O)cc2o1
BDBM50025974 CC1OC(O)C(O)C(O)C1Oc1c(O)c2c(cc(O)cc2=O)oc1-c1ccc(O)c(O)c1
BDBM50025975 OC(=O)c1ccc2nc3cc(O)ccc3c(=O)n2c1
BDBM50025976 Clc1c(oc2ccccc2c1=O)-c1nnn[nH]1
BDBM50025977 CC(C)OC(=O)c1cc(=O)c2ccc(O)cc2o1
BDBM50025978 OC(=O)c1cc(=O)c2ccc(O)cc2o1
BDBM50025979 CCOC(=O)C(=O)Nc1cc(cc(C(O)=O)c1O)[N+]([O-])=O
BDBM50025980 Oc1ccc2c(c1)oc(cc2=O)C(=O)OCc1ccccc1
BDBM50038839 Fc1cc(Br)ccc1CN1C(=O)c2ccccc2C2(CC(=O)NC2=O)C1=O
BDBM50038843 Fc1ccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)[C@]3(CC(=O)NC3=O)c2c1 |r|
BDBM50038846 Fc1ccc2C(=O)N(Cc3nc4cc(ccc4s3)C(F)(F)F)C(=O)C3(CC(=O)NC3=O)c2c1
BDBM50042944 Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
BDBM50049730 C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1
BDBM50055710 Oc1cc(=O)oc2ccccc12
BDBM50067397 Fc1cc(Br)ccc1CN1C(=O)c2cccn2[C@]2(CC(=O)NC2=O)C1=O
BDBM50067407 Fc1cc(Br)ccc1CN1C(=O)c2cccn2[C@@]2(CC(=O)NC2=O)C1=O
BDBM50078820 Cc1cc(=O)oc2cc(O)c(O)cc12
BDBM50086039 OC(=O)CC1C(=O)N(Cc2ccc(Br)cc2F)C(=O)c2ccc(F)cc12
BDBM50086037 CN1C(=O)c2ccc(F)cc2C2(CC(=O)NC2=O)C1=O
BDBM50086038 CN1C(=O)c2ccc(Cl)cc2C2(CC(=O)NC2=O)C1=O
BDBM50089423 NC(=O)[C@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1
BDBM50104891 Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1
BDBM50133496 OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r|
BDBM50135849 Oc1c(Oc2cc(Cl)c(Cl)c(Cl)c2O)cc(Cl)c(Cl)c1Cl
BDBM50135850 Oc1c(Oc2c(O)c(Br)c(Br)c(Br)c2Br)cc(Br)c(Br)c1Br
BDBM50135851 Oc1c(Br)cc(Br)cc1Oc1c(O)c(Br)c(Br)c(Br)c1Br
BDBM50135852 Oc1c(Br)c(Br)c(F)cc1Oc1cc(Br)c(Br)c(Br)c1O
BDBM50135853 Oc1c(Oc2cc(Br)c(Br)c(Br)c2O)cc(Br)c(Br)c1Br
BDBM50135854 Oc1c(Br)cc(Oc2cc(Br)c(Br)c(Br)c2O)c(O)c1Br
BDBM50135855 OC(=O)COc1c(Br)cc(Br)cc1Oc1c(Br)c(Br)c(Br)c(Br)c1CC(O)=O
BDBM50135856 Nc1c(Br)c(Br)c(Br)cc1Oc1cc(Br)c(Br)c(Br)c1O
BDBM50134036 Cc1cccc(Nc2ccccc2C(O)=O)c1C
BDBM50146187 OC(=O)Cn1ccc(c1)C(=O)c1ccccc1
BDBM50151407 NC(=O)[C@@H]1C[C@@]2(NC(=O)NC2=O)c2cc(F)ccc2O1
BDBM50151408 NC(=O)[C@H]1C[C@@]2(NC(=O)NC2=O)c2cc(F)ccc2O1
BDBM50148911 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
BDBM50156693 COc1cc2ccc(=O)oc2cc1O
BDBM50175892 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
BDBM50174558 Oc1ccc2ccc(=O)oc2c1
BDBM50206007 Oc1cc2ccccc2oc1=O
BDBM50206008 COc1cc2oc(=O)ccc2cc1O
BDBM50218200 CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:12|
BDBM50222609 OC(=O)COc1cc(Cl)ccc1C(=O)NCc1nc2cc(ccc2s1)C(F)(F)F
BDBM50222610 OC(=O)COc1ccccc1C(=O)NCc1ccc(Br)cc1F
BDBM50222611 OC(=O)COc1cc(F)ccc1C(=O)NCc1nc2c(F)c(F)cc(F)c2s1
BDBM50222612 Cc1ccccc1CC(=O)Nc1cc(C)c(c(C)c1)S(=O)(=O)NCC(O)=O
BDBM50222613 OC(=O)COc1cc(F)c(cc1C(=O)NCc1cccc(c1)[N+]([O-])=O)C#N
BDBM50222614 OC(=O)COc1cc(F)ccc1C(=O)NCc1nc2cc(ccc2s1)C(F)(F)F
BDBM50233538 CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |r,t:19|
BDBM50237838 OC(=O)[C@@H](Cc1cc(O)c(O)cc1[N+]([O-])=O)OC(=O)\C=C\c1cc(O)c(O)cc1[N+]([O-])=O
BDBM50237839 OC(=O)[C@@H](Cc1cc(O)c(O)cc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(O)c(O)c1
BDBM50241243 OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50241487 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
BDBM50241354 OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50241367 OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r|
BDBM50270640 OC(=O)CN1C(=O)S\C(=C/c2ccc(O)cc2)C1=O
BDBM50303499 COc1ccc2ccc(=O)oc2c1
BDBM50327036 O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O |r|
BDBM50327651 Oc1ccc2oc(=O)ccc2c1
BDBM50327652 OC(=O)Cc1cc(=O)oc2cc(O)c(O)cc12
BDBM50327653 Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1O
BDBM50321718 COc1ccc(\N=c2/oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c(OC)c1
BDBM50321715 COc1ccc(OC)c(c1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1
BDBM50321716 COc1ccc(cc1OC)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1cccc(C)n1
BDBM50321717 COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1
BDBM50317536 [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]([#6])([#8])[#6@H]-1-[#6]-[#6][C@]2([#6])[#6@@H]-1-[#6@H](-[#8])-[#6]-[#6@@H]1[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8]-[#6@@H]-4-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-4-[#8]-[#6@@H]-4-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-4-[#8])C([#6])([#6])[#6@@H]3-[#6]-[#6][C@@]21[#6] |r|
BDBM50317537 [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]([#6])([#8])[#6@H]-1-[#6]-[#6][C@]2([#6])[#6@@H]-1-[#6@H](-[#8])-[#6]-[#6@@H]1[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8]-[#6@@H]-4-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-4-[#8]-[#6@@H]-4-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-4-[#8])C([#6])([#6])[#6@@H]3-[#6]-[#6][C@@]21[#6]
BDBM50337281 OC(=O)c1cccc(Nc2ccc(cc2)[N+]([O-])=O)c1
BDBM50337282 CC(=O)c1ccc(Nc2cccc(c2)C(O)=O)cc1
BDBM50337283 OC(=O)c1cccc(Nc2ccc(cc2)C(F)(F)F)c1
BDBM50337285 OC(=O)c1cccc(Nc2ccc(Br)cc2)c1
BDBM50337286 CC(C)(C)c1ccc(Nc2cccc(c2)C(O)=O)cc1
BDBM50336708 Oc1c(F)cc(cc1F)-n1ccc(c1)C(=O)c1ccccc1
BDBM50334174 OC(=O)CN1C(=O)S\C(=C/c2cccc(Oc3ccccc3)c2)C1=O
BDBM50334175 OC(=O)CN1C(=O)S\C(=C/c2ccc(Oc3ccccc3)cc2)C1=O
BDBM50334176 OC(=O)CN1C(=O)S\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O
BDBM50334178 OC1=NC(=O)C(S1)=Cc1cccc(Oc2ccccc2)c1 |w:7.8,t:1|
BDBM50343933 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cccnc12
BDBM50343934 Cc1ccc2c(Cc3nc4c(F)c(F)cc(F)c4s3)cn(CC(O)=O)c2n1
BDBM50343935 CCc1ccc2c(Cc3nc4c(F)c(F)cc(F)c4s3)cn(CC(O)=O)c2n1
BDBM50336357 CC(=O)Oc1cc(OCC(=O)OCc2ccc(OCc3c(no[n+]3[O-])-c3ccccc3)cc2)cc2oc(cc(=O)c12)-c1ccccc1
BDBM50336358 [O-]c1cc(oc2cc(OCC(=O)OCc3ccc(OCc4c(no[n+]4[O-])-c4ccccc4)cc3)cc(=[OH+])c12)-c1ccccc1
BDBM50336359 CC(=O)Oc1cc(OCC(=O)OCc2cccc(OCc3c(no[n+]3[O-])-c3ccccc3)c2)cc2oc(cc(=O)c12)-c1ccccc1
BDBM50336360 [O-]c1cc(oc2cc(OCC(=O)OCc3cccc(OCc4c(no[n+]4[O-])-c4ccccc4)c3)cc(=[OH+])c12)-c1ccccc1
BDBM50336355 CC(=O)Oc1cc(OCC(=O)OCc2c(no[n+]2[O-])-c2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1
BDBM50336356 Oc1cc(OCC(=O)OCc2c(no[n+]2[O-])-c2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1
BDBM50334177 COc1cccc(\C=C2/SC(=O)N(CC(O)=O)C2=O)c1
BDBM50334179 O=C1NC(=O)\C(S1)=C\c1cccc2ccccc12
BDBM50346601 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
BDBM50358837 OC(=O)Cc1ccc2[nH]c3CCN(Cc4ccccc4)Cc3c2c1
BDBM50359034 C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C([C@@H](O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O |r,c:17|
BDBM50359035 C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3C(C(=O)C(=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O |r|
BDBM50359036 CC(CC(=O)C=C(C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(O)=O |r,w:5.4,c:14|
BDBM50359037 C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(C(=O)C[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@@H]3O |r,c:17,@:30|
BDBM50359038 C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O |r,c:17|
BDBM50359039 COC(=O)C(C)CC(=O)C=C(C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O |r,w:9.8,c:18|
BDBM50359040 C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O |r,c:17|
BDBM50359041 C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3[C@@H](O)C[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3C(=O)C(=O)[C@]12C |r|
BDBM50359042 C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 |r,c:17|
BDBM50359043 C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O |r,c:17|
BDBM50359044 C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O |r,c:17|
BDBM50359045 CC(CC(=O)C=C(C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(O)=O |r,w:5.4,c:14|
BDBM50359046 C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O |r,c:17|
BDBM50359047 COC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C([C@@H](O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O |r,c:18|
BDBM50359048 COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O |r,c:18|
BDBM50356669 CCCS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
BDBM50357102 CC(=O)Nc1cccc2n(CC(O)=O)c(C)c(Sc3ccc(Cl)cc3)c12
BDBM50357104 Cc1c(Sc2ccc(Cl)cc2)c2c(NS(C)(=O)=O)cccc2n1CC(O)=O
BDBM50357105 Cc1c(Sc2ccc(cc2)S(C)(=O)=O)c2cc(C)ccc2n1CC(O)=O
BDBM50357109 Cc1c(Sc2ccc(Cl)cc2)c2cccc(Cl)c2n1CC(O)=O
BDBM50357110 Cc1c(Sc2ccc(Cl)cc2)c2ccc(Cl)cc2n1CC(O)=O
BDBM50357111 Cc1c(Sc2ccc(Cl)cc2)c2c(Cl)cccc2n1CC(O)=O
BDBM50357112 Cc1c(Sc2ccc(Cl)cc2)c2c(C)c(F)ccc2n1CC(O)=O
BDBM50357113 Cc1c(Sc2ccc(Cl)cc2)c2c(C#N)c(Cl)ccc2n1CC(O)=O
BDBM50357119 Cc1c(Sc2ccccc2)c2cc(C)ccc2n1CC(O)=O
BDBM50357126 Cc1c(Sc2ccc(Cl)cc2)c2cc(ccc2n1CC(O)=O)-c1ccccc1
BDBM50357128 Cc1c(Sc2cccc(Cl)c2)c2cc(C)ccc2n1CC(O)=O
BDBM50357129 Cc1c(Sc2ccccc2Cl)c2cc(C)ccc2n1CC(O)=O
BDBM50357130 COc1ccc(Sc2c(C)n(CC(O)=O)c3ccc(C)cc23)cc1
BDBM50357132 Cc1c(c2cc(C)ccc2n1CC(O)=O)S(=O)(=O)c1ccc(Cl)cc1
BDBM50357134 COc1cccc(c1)S(=O)(=O)c1c(C)n(CC(O)=O)c2ccc(C)cc12
BDBM50357135 CC(=O)Nc1cccc2n(CC(O)=O)c(C)c(c12)S(=O)(=O)c1ccc(Cl)cc1
BDBM50357136 Cc1c(c2c(NS(C)(=O)=O)cccc2n1CC(O)=O)S(=O)(=O)c1ccc(Cl)cc1
BDBM50357144 CCS(=O)(=O)c1ccc(Oc2c(C)n(CC(O)=O)c3ccc(cc23)C(F)(F)F)cc1
BDBM50357149 Cc1c(Sc2ccc(Cl)cc2)c2cc(F)ccc2n1CC(O)=O
BDBM50356914 COC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O |r,c:18|
BDBM50356915 C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O |r,c:17|
BDBM50362833 Oc1cccc(\C=C\C(=O)OCCc2ccccc2)c1
BDBM50362834 O=C(OCCc1ccccc1)\C=C\c1ccccc1
BDBM50362843 COc1cc(O)ccc1\C=C\C(=O)OCCc1ccc(O)cc1
BDBM50362844 COc1cc(O)ccc1\C=C\C(=O)OCCc1cccc(O)c1
BDBM50362835 COc1cc(O)ccc1\C=C\C(=O)OCCCc1cccc(O)c1
BDBM50362836 [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(\[#6]=[#6]\[#6](-[#8])=O)cc(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8]
BDBM50362837 [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(\[#6]=[#6]\[#6](-[#8])=O)ccc1-[#8]
BDBM50362838 O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|
BDBM50362839 O[C@H]1[C@@H](C[C@@](O)(C[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)OC(=O)\C=C\c1ccc(O)c(O)c1 |r,wU:2.25,4.22,wD:1.0,7.8,4.4,(-1.06,-23.53,;-1.06,-21.99,;.29,-21.22,;.29,-19.66,;-1.06,-18.89,;.22,-18.03,;-2.39,-19.66,;-2.39,-21.22,;-3.73,-21.99,;-3.73,-23.53,;-2.39,-24.3,;-5.06,-24.3,;-5.06,-25.84,;-6.39,-26.61,;-7.73,-25.84,;-9.06,-26.61,;-9.06,-28.15,;-10.39,-28.92,;-7.72,-28.92,;-7.71,-30.46,;-6.39,-28.15,;-1.91,-17.6,;-.95,-16.4,;-3.45,-17.53,;1.62,-21.99,;1.61,-23.53,;.28,-24.3,;2.95,-24.3,;2.94,-25.84,;4.27,-26.62,;4.26,-28.16,;5.59,-28.93,;6.93,-28.16,;8.26,-28.93,;6.93,-26.61,;8.26,-25.84,;5.6,-25.85,)|
BDBM50362840 COc1cc(O)ccc1\C=C\C(=O)OCCCc1ccc(O)cc1
BDBM50362841 COc1cc(O)ccc1\C=C\C(=O)OCCCc1ccccc1O
BDBM50362842 COc1cc(O)ccc1\C=C\C(=O)OCCCc1ccccc1
BDBM50362845 COc1cc(O)ccc1\C=C\C(=O)OCCc1ccccc1O
BDBM50362846 COc1cc(O)ccc1\C=C\C(=O)OCCc1ccccc1
BDBM50362847 Oc1ccc(\C=C\C(=O)OCCCc2ccccc2)cc1
BDBM50362848 Oc1cccc(\C=C\C(=O)OCCCc2ccccc2)c1
BDBM50362849 CC(C)OC(=O)\C=C\c1ccc(O)cc1
BDBM50362850 Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1
BDBM50362851 Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1
BDBM50362884 OC[C@H]1O[C@@H](Oc2ccc(cc2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H](O)[C@@H](O)[C@@H]1O
BDBM50362885 OC[C@H]1O[C@@H](Oc2ccc(\C=C\C(=O)c3ccc(O)cc3O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50362886 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |r|
BDBM50362887 OC[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O |r|
BDBM50362888 OC[C@H]1O[C@@H](Oc2ccc(C(=O)\C=C\c3ccc(O)cc3)c(O)c2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O |r|
BDBM50363053 OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2cc(ccc12)C(O)=O
BDBM50363054 OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2ccccc12
BDBM50363055 OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2cc(F)ccc12
BDBM50363056 OC(=O)Cn1c2c(CCN(Cc3ccc(cc3)C(F)(F)F)C2=S)c2cc(F)ccc12
BDBM50363057 OC(=O)Cn1c2c(CCN(Cc3ccc(Br)cc3F)C2=S)c2cc(F)ccc12
BDBM50363058 OC(=O)Cn1c2c(CCN(Cc3ccc(cc3)C(F)(F)F)C2=S)c2ccccc12
BDBM50363059 OC(=O)Cn1c2c(CCN(Cc3ccc(Br)cc3)C2=S)c2ccccc12
BDBM50363060 OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2cc(Br)ccc12
BDBM50363061 OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2ccc(Cl)cc12
BDBM50363062 OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2cc(Cl)ccc12
BDBM50363063 OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2cc(I)ccc12
BDBM50363064 COc1ccc2n(CC(O)=O)c3c(CCN(Cc4ccccc4)C3=S)c2c1
BDBM50363065 CC(C)c1ccc2n(CC(O)=O)c3c(CCN(Cc4ccccc4)C3=S)c2c1
BDBM50363066 OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2c(Cl)cc(Cl)cc12
BDBM50363067 OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2c(F)cc(F)cc12
BDBM50363068 OC(=O)Cn1c2c(CCN(C2=S)c2ccccc2)c2ccccc12
BDBM50363069 OC(=O)Cn1c2c(CCN(CCc3ccccc3)C2=S)c2c(F)cc(F)cc12
BDBM50363070 OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2cc(O)ccc12
BDBM50363071 OC(=O)Cn1c2c(CCN(Cc3ccc(F)cc3)C2=O)c2cc(F)ccc12
BDBM50363072 OC(=O)Cn1c2c(CCN(Cc3ccc(Br)cc3F)C2=S)c2ccccc12
BDBM50368324 OC(=O)C[C@]1(O)C[C@H](Oc2ccc(F)cc12)C(=O)c1ccccc1 |r|
BDBM50385616 CN1C(=O)N(Cc2cc(Cl)ccc2F)C(=O)[C@]11C(=O)N(CC(O)=O)c2ccc(Cl)cc12 |r|
BDBM50385686 CC(=O)c1ccc(Nc2cccc(c2)C(O)=O)c(c1)C(O)=O
BDBM50385687 OC(=O)c1cccc(Nc2ccc(cc2[N+]([O-])=O)C(F)(F)F)c1
BDBM50385688 COc1ccc(Nc2cccc(c2)C(O)=O)c(c1)[N+]([O-])=O
BDBM50406709 OC(=O)Cc1nn(Cc2noc(n2)-c2ccccc2C(F)(F)F)c(=O)c2ccccc12
BDBM50406710 OC(=O)Cc1nn(Cc2noc(n2)-c2ccccc2Cl)c(=O)c2ccccc12
BDBM50421832 CN1C(O)=NC(=O)[C@]11CCOc2ccc(F)cc12 |r,c:3|
BDBM50421833 CN1C(=O)N(C)[C@@]2(CCOc3ccc(F)cc23)C1=O |r|
BDBM50442489 COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NCc1ccccc1
BDBM50442490 COc1ccc(cc1)\N=c1/oc2c(O)cccc2cc1C(=O)Nc1ccccn1
BDBM50442491 COc1ccc(cc1)\N=c1/oc2ccccc2cc1C(=O)Nc1ccccn1
BDBM50442492 COc1ccc(cc1)\N=c1/oc2cccc(O)c2cc1C(=O)Nc1ccccn1
BDBM50442493 COc1ccc(cc1)\N=c1/oc2ccc(O)cc2cc1C(=O)Nc1ccccn1
BDBM50442494 Oc1ccc2cc(C(=O)Nc3ccccn3)\c(=N\c3ccccc3)oc2c1
BDBM50442495 COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NCCCO
BDBM50442496 COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NCC(C)C
BDBM50442497 CCCCNC(=O)c1cc2ccc(O)cc2o\c1=N/c1ccc(OC)cc1
BDBM50442498 COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NC1CCCCC1
BDBM50442499 Cc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1
BDBM50442500 Oc1ccc2cc(C(=O)Nc3ccccn3)\c(=N\c3ccc(Br)cc3)oc2c1
BDBM50442501 Oc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1
BDBM50442502 COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NCCO
BDBM50442503 OC(=O)Cc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1
BDBM50442504 OC(=O)c1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1
BDBM50442505 Oc1ccc2cc(C(=O)Nc3ccccn3)\c(=N\c3ccc(I)cc3)oc2c1
BDBM50442506 COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NC(C)C
BDBM50023447 [H][C@@]1([#6]-[#6][C@]2([#6])[C@]1([H])[#6@H](-[#8])-[#6][C@]1([H])[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8])C([#6])([#6])[C@]3([H])[#6@H](-[#6][C@@]21[#6])-[#8][C@]1([H])[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]1-[#8])[C@@]([#6])([#8])[#6]-[#6]\[#6]=[#6](\[#6])-[#6] |r|
BDBM50023448 [H][C@@]1([#6]-[#6][C@@]2([#6])[C@]1([H])[#6@@H](-[#8])-[#6][C@]1([H])[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8])C([#6])([#6])[C@]3([H])[#6@H](-[#6][C@@]21[#6])-[#8][C@]1([H])[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]1-[#8][C@]1([H])[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]1-[#8])[C@@]([#6])([#8])[#6]-[#6]\[#6]=[#6](/[#6])-[#6] |r|
BDBM50023450 [H][C@@]1([#6]-[#6][C@]2([#6])[C@]1([H])[#6@H](-[#8])-[#6][C@]1([H])[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8][C@]4([H])[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]4-[#8])C([#6])([#6])[C@]3([H])[#6]-[#6][C@@]21[#6])[C@]([#6])([#8])[#6]-[#6]\[#6]=[#6](\[#6])-[#6] |r|
BDBM50023457 [H][C@@]1([#6]-[#6][C@]2([#6])[C@]1([H])[#6@H](-[#8])-[#6][C@]1([H])[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8][C@]4([H])[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]4-[#8])C([#6])([#6])[C@]3([H])[#6]-[#6][C@@]21[#6])[C@@]([#6])([#8])[#6]-[#6]\[#6]=[#6](\[#6])-[#6] |r|
BDBM50023449 [H][C@@]1([#6]-[#6][C@]2([#6])[C@]1([H])[#6@H](-[#8])-[#6][C@]1([H])[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8][C@]4([H])[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]4-[#8])C([#6])([#6])[C@]3([H])[#6]-[#6][C@@]21[#6])C([#6])([#8])[#6]-[#6]\[#6]=[#6](/[#6])-[#6] |r|
BDBM50023446 [H][C@@]1([#6]-[#6][C@]2([#6])[C@]1([H])[#6@H](-[#8])-[#6][C@]1([H])[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8])C([#6])([#6])[C@]3([H])[#6]-[#6][C@@]21[#6])[C@]([#6])([#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#8][C@]1([H])[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]1-[#8] |r|
BDBM50075050 CC(=O)Oc1ccccc1C(=O)Nc1ncc(s1)[N+]([O-])=O
BDBM50080464 OC(=O)Cn1c2ccccc2c2nnc(S)nc12
BDBM50093476 O=C1NC(=O)\C(S1)=C\c1ccc(Oc2ccccc2)cc1
BDBM200220 OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(Br)cc(Br)cc1Br
BDBM200221 OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(Br)c(Br)c(Br)c(Br)c1Br
BDBM228820 OC(=O)COc1cc(F)ccc1C(=O)Nc1ccccc1
BDBM228819 Fc1ccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)C3(CC(=O)NC3=O)c2c1
BDBM228821 OC(=O)COc1cc(F)ccc1C(=O)Nc1cccc(c1)[N+]([O-])=O
BDBM228822 OC(=O)COc1ccc(cc1C(=O)NCc1cccc(c1)[N+]([O-])=O)-c1ccccc1
BDBM228823 NC(=O)c1ccc(F)cc1OCC(O)=O
BDBM228824 OC(=O)COc1cc(F)ccc1C(=O)NCC#C
BDBM228825 OC(=O)COc1cc(F)ccc1C(=O)NCc1nc2ccccc2s1
BDBM228826 OC(=O)COc1cc(F)ccc1C(=O)NCc1cccc(c1)C(O)=O
BDBM220122 CC(=O)c1ccc(C(O)=O)c(Nc2ccccc2C(O)=O)c1
BDBM220123 OC(=O)c1ccccc1Nc1cc(ccc1N(=O)=O)C(F)(F)F
BDBM220124 COc1ccc(c(Nc2ccccc2C(O)=O)c1)N(=O)=O
BDBM50210915 CC1=N\C(=C/c2cccc(O)c2)C(=O)N1CC(O)=O |t:1|
BDBM50210919 CCOC(=O)CN1C(C)=N\C(=C/c2ccccc2)C1=O |c:8|
BDBM50210880 CC1=N\C(=C/c2ccc3ccccc3c2)C(=O)N1CC(O)=O |t:1|
BDBM50210914 CC1=N\C(=C/c2ccc(O)cc2)C(=O)N1CC(O)=O |t:1|
BDBM50210916 COc1ccc(\C=C2/N=C(C)N(CC(O)=O)C2=O)cc1 |t:8|
BDBM50210917 CC1=N\C(=C/c2ccc(F)cc2)C(=O)N1CC(O)=O |t:1|
BDBM50210918 CC1=N\C(=C/c2ccc(Br)cc2)C(=O)N1CC(O)=O |t:1|
BDBM50210920 CCOC(=O)COc1ccc(\C=C2/N=C(C)N(CC(=O)OCC)C2=O)cc1 |t:13|
BDBM50210921 CCOC(=O)CN1C(C)=N\C(=C/c2ccc(O)cc2)C1=O |c:8|
BDBM50210922 CC1=N\C(=C/c2ccc(O)cc2)C(=O)N1CCC(O)=O |t:1|
BDBM50210923 CC1=N\C(=C/c2ccc(OCC(O)=O)cc2)C(=O)N1CC(O)=O |t:1|
BDBM50210924 CC1=N\C(=C/c2ccccc2)C(=O)N1CC(O)=O |t:1|
BDBM50210925 CC1=N\C(=C/c2ccc(Cl)cc2)C(=O)N1CC(O)=O |t:1|
BDBM50210926 CC1=N\C(=C/c2cc(C)c(O)c(C)c2)C(=O)N1CC(O)=O |t:1|
BDBM50210927 CC1=N\C(=C/c2cccc3ccccc23)C(=O)N1CC(O)=O |t:1|