smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCc1cc(C=C2C(=O)NC(=O)NC2=O)cc(OC)c1OCC(=O)[O-] ZINC000004643893 487480828 /nfs/dbraw/zinc/48/08/28/487480828.db2.gz RXLUERSUMJJSBK-UHFFFAOYSA-N -1 1 360.322 0.637 50 30 FCEAMM CSCC[C@H](NC(=O)c1ccc(NC(=O)[C@@H](N)CS)cc1)C(=O)[O-] ZINC000013586733 487564333 /nfs/dbraw/zinc/56/43/33/487564333.db2.gz QZVAZQOXHOMYJF-RYUDHWBXSA-N -1 1 371.484 0.818 50 30 in-vitro FCEAMM CCCCNC(=O)[N-]S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000040116194 487812564 /nfs/dbraw/zinc/81/25/64/487812564.db2.gz UBYWKENEVIYKQK-UHFFFAOYSA-N -1 1 363.461 0.929 50 30 FCEAMM CCCCNC([O-])=NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000040116194 487812567 /nfs/dbraw/zinc/81/25/67/487812567.db2.gz UBYWKENEVIYKQK-UHFFFAOYSA-N -1 1 363.461 0.929 50 30 FCEAMM C=CCN1C[C@@]2(C(=O)[O-])CN(c3nc(N(C)C)nc(C)c3C)C[C@H]2C1=O ZINC000072477650 488381767 /nfs/dbraw/zinc/38/17/67/488381767.db2.gz UEIKDELAEYCRIL-SCLBCKFNSA-N -1 1 359.430 0.695 50 30 FCEAMM NC(N)=NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000020149785 220316223 /nfs/dbraw/zinc/31/62/23/220316223.db2.gz DVOOVQJGFPBVPU-UHFFFAOYSA-N -1 1 354.413 0.450 50 30 FCEAMM Cc1c(C#N)c(=O)[n-]cc1C(=O)N1CCC2(C[C@H](C(=O)[O-])[N@@H+](C)C2)CC1 ZINC000091845718 488470917 /nfs/dbraw/zinc/47/09/17/488470917.db2.gz WZXOWBYBJLFDCU-CQSZACIVSA-N -1 1 358.398 0.566 50 30 FCEAMM C=CCN1C(=O)NC(=O)/C(=C/c2ccc(OCC(=O)[O-])c(OC)c2)C1=O ZINC000005201211 487486746 /nfs/dbraw/zinc/48/67/46/487486746.db2.gz AXHKKSCIPXKGHG-XFFZJAGNSA-N -1 1 360.322 0.806 50 30 FCEAMM Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCC2(C[C@H](C(=O)[O-])[N@@H+](C)C2)CC1 ZINC000091908083 488471781 /nfs/dbraw/zinc/47/17/81/488471781.db2.gz OMAVTXOAHSPAQY-CQSZACIVSA-N -1 1 358.398 0.566 50 30 FCEAMM Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCC2(C[C@@H](C(=O)[O-])[N@@H+](C)C2)CC1 ZINC000091908086 488471840 /nfs/dbraw/zinc/47/18/40/488471840.db2.gz OMAVTXOAHSPAQY-AWEZNQCLSA-N -1 1 358.398 0.566 50 30 FCEAMM CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(C#N)c(=O)[n-]c2C)CN1CC(C)C ZINC000092061920 488473571 /nfs/dbraw/zinc/47/35/71/488473571.db2.gz LXENKJOUXWYPKD-HOCLYGCPSA-N -1 1 373.457 0.932 50 30 FCEAMM Cc1c(C#N)c(=O)[n-]cc1C(=O)N1CCC2(C[C@@H](C(=O)[O-])[N@@H+](C)C2)CC1 ZINC000091845721 488470605 /nfs/dbraw/zinc/47/06/05/488470605.db2.gz WZXOWBYBJLFDCU-AWEZNQCLSA-N -1 1 358.398 0.566 50 30 FCEAMM Cn1c2ccc(/C=N/N=C3\NC(=O)C(CC(=O)[O-])S3)cc2n(C)c1=O ZINC000005648798 204220147 /nfs/dbraw/zinc/22/01/47/204220147.db2.gz JDKJKELRAGWSJZ-PFJSLNBISA-N -1 1 361.383 0.273 50 30 FCEAMM Cc1[n-][nH]c(=O)c1CC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C#N)cc1 ZINC000219905231 206394382 /nfs/dbraw/zinc/39/43/82/206394382.db2.gz ZIURZFKRBOMVTM-HZPDHXFCSA-N -1 1 356.382 0.778 50 30 FCEAMM C=CCn1c(=O)[nH]c([O-])c(C2=NN[C@H](c3cccc([N+](=O)[O-])c3)C2)c1=O ZINC000101231558 488494424 /nfs/dbraw/zinc/49/44/24/488494424.db2.gz VENHGZUYBNFIJA-NSHDSACASA-N -1 1 357.326 0.775 50 30 FCEAMM CCOC(=O)c1sc(NC=C2C(=O)[N-]C(=S)NC2=O)c(C#N)c1C ZINC000006294455 204243172 /nfs/dbraw/zinc/24/31/72/204243172.db2.gz UVZYNUHWJBMHQR-UHFFFAOYSA-N -1 1 364.408 0.932 50 30 FCEAMM COC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)Nc1nc(C)cc(C)n1 ZINC000075273011 488396511 /nfs/dbraw/zinc/39/65/11/488396511.db2.gz WRXLGHQVPOMLRH-JTQLQIEISA-N -1 1 357.392 0.302 50 30 FCEAMM COC(=O)Cc1cc(=O)[n-]c(SCC(=O)NC2(C#N)CCCCC2)n1 ZINC000007029735 204286750 /nfs/dbraw/zinc/28/67/50/204286750.db2.gz UWYQXKXIGAYEIQ-UHFFFAOYSA-N -1 1 364.427 0.920 50 30 FCEAMM CCCCCCn1cc(S(=O)(=O)[N-][C@@H](C#N)C(C)C)c(=O)[nH]c1=O ZINC000170596633 488813994 /nfs/dbraw/zinc/81/39/94/488813994.db2.gz NAGZNXFFKKEODD-LBPRGKRZSA-N -1 1 356.448 0.943 50 30 FCEAMM Cc1[n-][nH]c(=O)c1CC(=O)N[C@@H]1COCC[C@H]1Oc1ccc(C#N)cc1 ZINC000218064104 206367884 /nfs/dbraw/zinc/36/78/84/206367884.db2.gz RZWFTUFZNUFVSM-HZPDHXFCSA-N -1 1 356.382 0.778 50 30 FCEAMM O=C([O-])CC1S/C(=N\N=C\c2ccc(N3CCOCC3)cc2)NC1=O ZINC000004138684 487475039 /nfs/dbraw/zinc/47/50/39/487475039.db2.gz FSEJBKICUFFJRC-VZWMTCDZSA-N -1 1 362.411 0.919 50 30 FCEAMM CC(C)(C)c1cc(C=NNc2nnn[n-]2)c(O)c(C=[NH+][N-]c2nn[nH]n2)c1 ZINC000225439742 518990497 /nfs/dbraw/zinc/99/04/97/518990497.db2.gz ATXYGHVTOGSZJM-MBGCCUORSA-N -1 1 370.381 0.608 50 30 FCEAMM C=CCN1C(=O)[N-]C(=O)[C@@]2(Cc3cc(N)ccc3N3CCOC[C@@H]32)C1=O ZINC000409414284 526406952 /nfs/dbraw/zinc/40/69/52/526406952.db2.gz RZJVWHCEFUMBQI-KDOFPFPSSA-N -1 1 356.382 0.281 50 30 FCEAMM COc1cc(/C=N/n2nnnc2N)cc(I)c1[O-] ZINC000001229165 487469957 /nfs/dbraw/zinc/46/99/57/487469957.db2.gz MXERPFCZLTVMII-UUILKARUSA-N -1 1 360.115 0.456 50 30 FCEAMM C=CCn1c(=O)[nH]c([O-])c(C2=NN[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1=O ZINC000101231565 488494528 /nfs/dbraw/zinc/49/45/28/488494528.db2.gz NCRYBTXLDNUEKC-LLVKDONJSA-N -1 1 357.326 0.775 50 30 FCEAMM C=CCn1c(=O)[nH]c([O-])c(C2=NN[C@H](c3ccc(O)c(OC)c3)C2)c1=O ZINC000101761835 488496064 /nfs/dbraw/zinc/49/60/64/488496064.db2.gz LCTJQCCBYHSZJY-JTQLQIEISA-N -1 1 358.354 0.581 50 30 FCEAMM CCCCONC(=NS(=O)(=O)c1nnc[n-]1)Nc1nc(C)cc(C)n1 ZINC000008782790 528627400 /nfs/dbraw/zinc/62/74/00/528627400.db2.gz DMRUFMFMMDFUGH-UHFFFAOYSA-N -1 1 368.423 0.690 50 30 FCEAMM CCCCONC(=NS(=O)(=O)c1nc[n-]n1)Nc1nc(C)cc(C)n1 ZINC000008782790 528627402 /nfs/dbraw/zinc/62/74/02/528627402.db2.gz DMRUFMFMMDFUGH-UHFFFAOYSA-N -1 1 368.423 0.690 50 30 FCEAMM CCOC(=O)c1ccc(N=Nc2c(N)[nH][n-]c2=NS(C)(=O)=O)cc1 ZINC000008713677 487520156 /nfs/dbraw/zinc/52/01/56/487520156.db2.gz KOVVKIHILXQBMC-UHFFFAOYSA-N -1 1 352.376 0.074 50 30 FCEAMM C=CCn1c(=O)[nH]c([O-])c(C2=NN[C@@H](c3ccc(O)c(OC)c3)C2)c1=O ZINC000101761838 488496227 /nfs/dbraw/zinc/49/62/27/488496227.db2.gz LCTJQCCBYHSZJY-SNVBAGLBSA-N -1 1 358.354 0.581 50 30 FCEAMM C=CCn1c(=O)[nH]c([O-])c(C2=NN[C@@H](c3ccc(N(C)C)cc3)C2)c1=O ZINC000101761830 488496252 /nfs/dbraw/zinc/49/62/52/488496252.db2.gz ZLGWODUWWJXLCC-CYBMUJFWSA-N -1 1 355.398 0.933 50 30 FCEAMM C=CCN1C(=O)[N-]C(=O)[C@]2(Cc3cc(N)ccc3N3CCOC[C@H]32)C1=O ZINC000409414279 526406939 /nfs/dbraw/zinc/40/69/39/526406939.db2.gz RZJVWHCEFUMBQI-KBXCAEBGSA-N -1 1 356.382 0.281 50 30 biogenic FCEAMM Cc1[nH]c(=O)c(C#N)cc1C(=O)N1CCC[C@@H](Cn2cc(C(=O)[O-])nn2)C1 ZINC000067690701 488355074 /nfs/dbraw/zinc/35/50/74/488355074.db2.gz HJHQQYGSYVCLCQ-LLVKDONJSA-N -1 1 370.369 0.809 50 30 FCEAMM N#Cc1ccc(S(=O)(=O)CCN2CCC(c3nc(=O)[n-][nH]3)CC2)cc1 ZINC000280888929 489038860 /nfs/dbraw/zinc/03/88/60/489038860.db2.gz DANHINXTACZYEY-UHFFFAOYSA-N -1 1 361.427 0.623 50 30 FCEAMM C=CCn1c(=O)[nH]c([O-])c(C2=NN[C@@H](c3ccc(OC)cc3OC)C2)c1=O ZINC000101761819 488496220 /nfs/dbraw/zinc/49/62/20/488496220.db2.gz YEGRTYSKQXJMSX-GFCCVEGCSA-N -1 1 372.381 0.884 50 30 FCEAMM C=CCn1c(=O)[nH]c([O-])c(C2=NN[C@H](c3ccc(OC)c(OC)c3)C2)c1=O ZINC000101761786 488496343 /nfs/dbraw/zinc/49/63/43/488496343.db2.gz XXQTUCZIGKJJLV-NSHDSACASA-N -1 1 372.381 0.884 50 30 FCEAMM COC(=O)[C@@]1(C(=N[O-])/C(=N\O)[C@@]2(C(=O)OC)CCCC2=O)CCCC1=O ZINC000006145294 487494214 /nfs/dbraw/zinc/49/42/14/487494214.db2.gz CZZWHXMPZMJNCG-MCIYFUDISA-N -1 1 368.342 0.472 50 30 FCEAMM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)NC12CN3CN(CN(C3)C1)C2 ZINC000019324832 220249039 /nfs/dbraw/zinc/24/90/39/220249039.db2.gz LVRXBPYRTOTDKH-UHFFFAOYSA-N -1 1 371.850 0.090 50 30 FCEAMM O=S(=O)(N=C([O-])NC12CN3CN(CN(C3)C1)C2)c1ccc(Cl)cc1 ZINC000019324832 220249041 /nfs/dbraw/zinc/24/90/41/220249041.db2.gz LVRXBPYRTOTDKH-UHFFFAOYSA-N -1 1 371.850 0.090 50 30 FCEAMM COC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)Nc1nc(C)cc(C)n1 ZINC000075273008 488396474 /nfs/dbraw/zinc/39/64/74/488396474.db2.gz WRXLGHQVPOMLRH-SNVBAGLBSA-N -1 1 357.392 0.302 50 30 FCEAMM COc1nc(C)nc(N(C)C(=O)[N-]S(=O)(=O)N2CCCCCC2)n1 ZINC000022779792 663457656 /nfs/dbraw/zinc/45/76/56/663457656.db2.gz FWUWXPURHIMEFA-UHFFFAOYSA-N -1 1 358.424 0.660 50 30 FCEAMM NC(=O)C1=C([O-])C[C@@H]2C[C@@H]3Cc4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C1=O ZINC000001649503 210364405 /nfs/dbraw/zinc/36/44/05/210364405.db2.gz ZXFCRFYULUUSDW-OWXODZSWSA-N -1 1 371.345 0.581 50 30 investigational FCEAMM COC(=O)c1cc(N/N=C2/C(=O)[N-]C(=S)NC2=O)cc(C(=O)OC)c1 ZINC000006016604 487492794 /nfs/dbraw/zinc/49/27/94/487492794.db2.gz YSERIJRQJIZSKO-UHFFFAOYSA-N -1 1 364.339 0.399 50 30 FCEAMM COC(=O)c1cc(N/N=C2\C(=O)[N-]C(=S)NC2=O)cc(C(=O)OC)c1 ZINC000006016604 487492800 /nfs/dbraw/zinc/49/28/00/487492800.db2.gz YSERIJRQJIZSKO-UHFFFAOYSA-N -1 1 364.339 0.399 50 30 FCEAMM COC(=O)[C@]1(C(=N[O-])/C(=N\O)[C@@]2(C(=O)OC)CCCC2=O)CCCC1=O ZINC000005669619 487489475 /nfs/dbraw/zinc/48/94/75/487489475.db2.gz CZZWHXMPZMJNCG-WLNUUSRZSA-N -1 1 368.342 0.472 50 30 FCEAMM O=C(Nc1nnn[n-]1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000082087521 488445136 /nfs/dbraw/zinc/44/51/36/488445136.db2.gz DMPHQUPTLAHRFJ-UHFFFAOYSA-N -1 1 372.794 0.510 50 30 FCEAMM O=C(Nc1nn[n-]n1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000082087521 488445137 /nfs/dbraw/zinc/44/51/37/488445137.db2.gz DMPHQUPTLAHRFJ-UHFFFAOYSA-N -1 1 372.794 0.510 50 30 FCEAMM Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCN(C)[C@@]2(C1)CCNC(=O)CC2 ZINC000091586460 488465633 /nfs/dbraw/zinc/46/56/33/488465633.db2.gz UWSXKDLQTHPQGR-GOSISDBHSA-N -1 1 357.414 0.394 50 30 FCEAMM C=CCN1C(=O)C(=NNc2ccc(S(=O)(=O)[O-])cc2)C(=O)NC1=S ZINC000012343740 487552444 /nfs/dbraw/zinc/55/24/44/487552444.db2.gz UPNSWBHJXLRQLB-YBEGLDIGSA-N -1 1 368.396 0.131 50 30 FCEAMM COC(=O)Cc1cc(=O)[n-]c(SCC(=O)N[C@](C)(C#N)C(C)C)n1 ZINC000007029605 487502086 /nfs/dbraw/zinc/50/20/86/487502086.db2.gz JNKXDLUBJBFWNF-OAHLLOKOSA-N -1 1 352.416 0.632 50 30 FCEAMM COc1ccc(-c2nc(N3CCN(CCO)CC3)[n-]c(=O)c2C#N)cc1 ZINC000040122659 536525347 /nfs/dbraw/zinc/52/53/47/536525347.db2.gz PVSBNDUUJBRDNX-UHFFFAOYSA-N -1 1 355.398 0.844 50 30 FCEAMM C=CCN1C(=O)/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)C(=O)[N-]C1=S ZINC000004305527 210104039 /nfs/dbraw/zinc/10/40/39/210104039.db2.gz BWZYZKSTAHVPPI-DHZHZOJOSA-N -1 1 356.407 0.690 50 30 FCEAMM C=CCN1C(=O)C(=NNc2ccc(S(=O)(=O)[O-])cc2)C(=O)NC1=S ZINC000002334250 487470274 /nfs/dbraw/zinc/47/02/74/487470274.db2.gz UPNSWBHJXLRQLB-MHWRWJLKSA-N -1 1 368.396 0.131 50 30 FCEAMM C=CCn1c(=O)[nH]c([O-])c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c1=O ZINC000004027359 487473764 /nfs/dbraw/zinc/47/37/64/487473764.db2.gz PEQINJFKRBXYTN-LBPRGKRZSA-N -1 1 360.322 0.705 50 30 biogenic FCEAMM Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCN(C)[C@]2(C1)CCNC(=O)CC2 ZINC000091586459 488465782 /nfs/dbraw/zinc/46/57/82/488465782.db2.gz UWSXKDLQTHPQGR-SFHVURJKSA-N -1 1 357.414 0.394 50 30 FCEAMM C=CCn1c(=O)[nH]c([O-])c(C2=NN[C@@H](c3ccc(OC)c(OC)c3)C2)c1=O ZINC000101761787 222284261 /nfs/dbraw/zinc/28/42/61/222284261.db2.gz XXQTUCZIGKJJLV-LLVKDONJSA-N -1 1 372.381 0.884 50 30 FCEAMM C=CCN1C(=O)C(=NNc2ccc(S(=O)(=O)[O-])cc2)C(=O)NC1=S ZINC000252629882 488519154 /nfs/dbraw/zinc/51/91/54/488519154.db2.gz UPNSWBHJXLRQLB-UHFFFAOYSA-N -1 1 368.396 0.131 50 30 FCEAMM C=CCn1c(=O)[nH]c([O-])c(C2=NN[C@H](c3cc(OC)ccc3OC)C2)c1=O ZINC000101761792 222283369 /nfs/dbraw/zinc/28/33/69/222283369.db2.gz ULGKRNVXFUULCX-LBPRGKRZSA-N -1 1 372.381 0.884 50 30 FCEAMM C=CCN1C(=O)[N-]C(=O)[C@@]2(Cc3cc(N)ccc3N3CCOC[C@H]32)C1=O ZINC000409414285 526406658 /nfs/dbraw/zinc/40/66/58/526406658.db2.gz RZJVWHCEFUMBQI-KSSFIOAISA-N -1 1 356.382 0.281 50 30 FCEAMM COC(=O)Cc1cc(=O)[n-]c(SCC(=O)NC2(C#N)CCCC2)n1 ZINC000007029678 219788856 /nfs/dbraw/zinc/78/88/56/219788856.db2.gz CSFVPZBHHQWAOA-UHFFFAOYSA-N -1 1 350.400 0.530 50 30 FCEAMM C=CCN1C(=O)[N-]C(=O)[C@]2(Cc3cc(N)ccc3N3CCOC[C@@H]32)C1=O ZINC000409414286 526406427 /nfs/dbraw/zinc/40/64/27/526406427.db2.gz RZJVWHCEFUMBQI-RDTXWAMCSA-N -1 1 356.382 0.281 50 30 biogenic FCEAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N=C(N)N)cc2)cc1 ZINC000023115184 663537567 /nfs/dbraw/zinc/53/75/67/663537567.db2.gz BUIHLXSFGLTCJK-UHFFFAOYSA-N -1 1 368.440 0.758 50 30 FCEAMM C=CCn1c(=O)[nH]c([O-])c(C2=NN[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1=O ZINC000101231563 222265493 /nfs/dbraw/zinc/26/54/93/222265493.db2.gz NCRYBTXLDNUEKC-NSHDSACASA-N -1 1 357.326 0.775 50 30 FCEAMM O=C([O-])CC1S/C(=N\N=C\c2ccc(N3CCOCC3)cc2)NC1=O ZINC000004138686 487475164 /nfs/dbraw/zinc/47/51/64/487475164.db2.gz FSEJBKICUFFJRC-VGSSETLESA-N -1 1 362.411 0.919 50 30 FCEAMM Cn1c2ccc(/C=N/N=C3\NC(=O)C(CC(=O)[O-])S3)cc2n(C)c1=O ZINC000004755515 487480274 /nfs/dbraw/zinc/48/02/74/487480274.db2.gz JDKJKELRAGWSJZ-JRUYLCMPSA-N -1 1 361.383 0.273 50 30 FCEAMM C=CCn1c(=O)[nH]c([O-])c(C2=NN[C@H](c3ccc4c(c3)OCO4)C2)c1=O ZINC000101239037 488494435 /nfs/dbraw/zinc/49/44/35/488494435.db2.gz ZZWUGEQIVBPBHW-JTQLQIEISA-N -1 1 356.338 0.596 50 30 FCEAMM COC(=O)[C@@]1(C(=N[O-])/C(=N\O)[C@]2(C(=O)OC)CCCC2=O)CCCC1=O ZINC000018054230 220221681 /nfs/dbraw/zinc/22/16/81/220221681.db2.gz CZZWHXMPZMJNCG-BGHCIBGPSA-N -1 1 368.342 0.472 50 30 FCEAMM C=CCn1c(=O)[nH]c([O-])c(C2=NN[C@H](c3ccc(OC)cc3OC)C2)c1=O ZINC000101761815 222283713 /nfs/dbraw/zinc/28/37/13/222283713.db2.gz YEGRTYSKQXJMSX-LBPRGKRZSA-N -1 1 372.381 0.884 50 30 FCEAMM C=CCn1c(=O)[nH]c([O-])c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c1=O ZINC000002145188 487470213 /nfs/dbraw/zinc/47/02/13/487470213.db2.gz PEQINJFKRBXYTN-GFCCVEGCSA-N -1 1 360.322 0.705 50 30 biogenic FCEAMM C=CCn1c(=O)[nH]c([O-])c(C2=NN[C@@H](c3ccc4c(c3)OCO4)C2)c1=O ZINC000101239040 488494410 /nfs/dbraw/zinc/49/44/10/488494410.db2.gz ZZWUGEQIVBPBHW-SNVBAGLBSA-N -1 1 356.338 0.596 50 30 FCEAMM COCCOC(=O)c1sc2[n-]c(Cn3cnc(C#N)n3)nc(=O)c2c1C ZINC000014143606 220111181 /nfs/dbraw/zinc/11/11/81/220111181.db2.gz NNOJJIHNPHGRMR-UHFFFAOYSA-N -1 1 374.382 0.608 50 30 FCEAMM Cc1[nH]c(=O)c(C#N)cc1C(=O)N1CCC[C@H](Cn2cc(C(=O)[O-])nn2)C1 ZINC000067690699 221272176 /nfs/dbraw/zinc/27/21/76/221272176.db2.gz HJHQQYGSYVCLCQ-NSHDSACASA-N -1 1 370.369 0.809 50 30 FCEAMM C=CCn1c(=O)[nH]c([O-])c(C2=NN[C@@H](c3cc(OC)ccc3OC)C2)c1=O ZINC000101761795 222284077 /nfs/dbraw/zinc/28/40/77/222284077.db2.gz ULGKRNVXFUULCX-GFCCVEGCSA-N -1 1 372.381 0.884 50 30 FCEAMM CCCCNC(=O)[N-]S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000040116152 487812481 /nfs/dbraw/zinc/81/24/81/487812481.db2.gz ZULZMHSMYAOAHG-UHFFFAOYSA-N -1 1 363.461 0.929 50 30 FCEAMM CCCCNC([O-])=NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000040116152 487812486 /nfs/dbraw/zinc/81/24/86/487812486.db2.gz ZULZMHSMYAOAHG-UHFFFAOYSA-N -1 1 363.461 0.929 50 30 FCEAMM