smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1cc(C#N)cnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164831393 720479032 /nfs/dbraw/zinc/47/90/32/720479032.db2.gz FJQGSKQSAAXNKT-KRWDZBQOSA-N 1 2 440.504 0.926 20 30 ICEDLO COC(=O)c1cc(C#N)cnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164831395 720479795 /nfs/dbraw/zinc/47/97/95/720479795.db2.gz FJQGSKQSAAXNKT-QGZVFWFLSA-N 1 2 440.504 0.926 20 30 ICEDLO CCc1nc(C#N)c(C#N)nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164835412 720479283 /nfs/dbraw/zinc/47/92/83/720479283.db2.gz XWPQMTOWYQJGTH-INIZCTEOSA-N 1 2 436.520 0.968 20 30 ICEDLO CCc1nc(C#N)c(C#N)nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164835417 720479582 /nfs/dbraw/zinc/47/95/82/720479582.db2.gz XWPQMTOWYQJGTH-MRXNPFEDSA-N 1 2 436.520 0.968 20 30 ICEDLO COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CCN(CCC#N)CC2)C[NH2+]1 ZINC001165055513 722024230 /nfs/dbraw/zinc/02/42/30/722024230.db2.gz QHRVASBHGJZBDK-APWZRJJASA-N 1 2 440.504 0.956 20 30 ICEDLO COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2CCN(CCC#N)CC2)C[NH2+]1 ZINC001165055514 722024238 /nfs/dbraw/zinc/02/42/38/722024238.db2.gz QHRVASBHGJZBDK-LPHOPBHVSA-N 1 2 440.504 0.956 20 30 ICEDLO COC(=O)[C@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2CCN(CCC#N)CC2)C[NH2+]1 ZINC001165055515 722024153 /nfs/dbraw/zinc/02/41/53/722024153.db2.gz QHRVASBHGJZBDK-QFBILLFUSA-N 1 2 440.504 0.956 20 30 ICEDLO COC(=O)[C@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CCN(CCC#N)CC2)C[NH2+]1 ZINC001165055516 722024199 /nfs/dbraw/zinc/02/41/99/722024199.db2.gz QHRVASBHGJZBDK-VQIMIIECSA-N 1 2 440.504 0.956 20 30 ICEDLO Cc1nsc(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1C#N ZINC001466466722 1068969056 /nfs/dbraw/zinc/96/90/56/1068969056.db2.gz TVPANHDFMHBTOM-UHFFFAOYSA-N 1 2 435.535 0.992 20 30 ICEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C2 ZINC001467891097 1069045531 /nfs/dbraw/zinc/04/55/31/1069045531.db2.gz KJQAIRSUHCXQEW-INIZCTEOSA-N 1 2 431.518 0.581 20 30 ICEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C2 ZINC001467891100 1069045592 /nfs/dbraw/zinc/04/55/92/1069045592.db2.gz KJQAIRSUHCXQEW-MRXNPFEDSA-N 1 2 431.518 0.581 20 30 ICEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)C2 ZINC001467891114 1069045653 /nfs/dbraw/zinc/04/56/53/1069045653.db2.gz KNRFCOJTTWAVGN-HNNXBMFYSA-N 1 2 445.545 0.676 20 30 ICEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)C2 ZINC001467891119 1069045561 /nfs/dbraw/zinc/04/55/61/1069045561.db2.gz KNRFCOJTTWAVGN-OAHLLOKOSA-N 1 2 445.545 0.676 20 30 ICEDLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)C2(C#N)CCSCC2)CC3)CC1 ZINC001467901231 1069047823 /nfs/dbraw/zinc/04/78/23/1069047823.db2.gz NYIXURAGPSKCBG-INIZCTEOSA-N 1 2 430.578 0.986 20 30 ICEDLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)C2(C#N)CCSCC2)CC3)CC1 ZINC001467901235 1069047971 /nfs/dbraw/zinc/04/79/71/1069047971.db2.gz NYIXURAGPSKCBG-MRXNPFEDSA-N 1 2 430.578 0.986 20 30 ICEDLO N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC001468118772 1069076937 /nfs/dbraw/zinc/07/69/37/1069076937.db2.gz AGRNSWPBWHZAIY-KDURUIRLSA-N 1 2 432.546 0.938 20 30 ICEDLO N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC001468118772 1069076929 /nfs/dbraw/zinc/07/69/29/1069076929.db2.gz AGRNSWPBWHZAIY-KDURUIRLSA-N 1 2 432.546 0.938 20 30 ICEDLO N#Cc1ccc(N2CCN(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)cn1 ZINC001468364057 1069109897 /nfs/dbraw/zinc/10/98/97/1069109897.db2.gz XKQJAZSNKXRPFU-UHFFFAOYSA-N 1 2 448.531 0.919 20 30 ICEDLO C#CC1(O)CCN(C(=O)NCCc2ccc(OCC[NH+]3CCN(C(C)=O)CC3)cc2)CC1 ZINC001468549856 1069133845 /nfs/dbraw/zinc/13/38/45/1069133845.db2.gz UWVXLOSFBZEBQL-UHFFFAOYSA-N 1 2 442.560 0.942 20 30 ICEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)s1 ZINC001470224881 1069292856 /nfs/dbraw/zinc/29/28/56/1069292856.db2.gz FJNPAONNUABYMO-IBGZPJMESA-N 1 2 443.591 0.487 20 30 ICEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)s1 ZINC001470224881 1069292844 /nfs/dbraw/zinc/29/28/44/1069292844.db2.gz FJNPAONNUABYMO-IBGZPJMESA-N 1 2 443.591 0.487 20 30 ICEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)s1 ZINC001470224882 1069293009 /nfs/dbraw/zinc/29/30/09/1069293009.db2.gz FJNPAONNUABYMO-LJQANCHMSA-N 1 2 443.591 0.487 20 30 ICEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)s1 ZINC001470224882 1069292996 /nfs/dbraw/zinc/29/29/96/1069292996.db2.gz FJNPAONNUABYMO-LJQANCHMSA-N 1 2 443.591 0.487 20 30 ICEDLO C#CCNS(=O)(=O)N1CCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC001470319073 1069306970 /nfs/dbraw/zinc/30/69/70/1069306970.db2.gz ZWSDQFTYWHTNLJ-UHFFFAOYSA-N 1 2 436.925 0.821 20 30 ICEDLO N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)CC2)cc1 ZINC001470335709 1069309125 /nfs/dbraw/zinc/30/91/25/1069309125.db2.gz MQBKGMBFYSJEJA-UHFFFAOYSA-N 1 2 448.545 0.524 20 30 ICEDLO N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)CC2)cc1 ZINC001470335709 1069309112 /nfs/dbraw/zinc/30/91/12/1069309112.db2.gz MQBKGMBFYSJEJA-UHFFFAOYSA-N 1 2 448.545 0.524 20 30 ICEDLO O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001470684521 1069340197 /nfs/dbraw/zinc/34/01/97/1069340197.db2.gz CFKAXYGRLKPKJH-INIZCTEOSA-N 1 2 436.534 0.065 20 30 ICEDLO O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001470684522 1069340290 /nfs/dbraw/zinc/34/02/90/1069340290.db2.gz CFKAXYGRLKPKJH-MRXNPFEDSA-N 1 2 436.534 0.065 20 30 ICEDLO Cn1cc([C@@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CC[NH2+]2)cn1 ZINC001470879283 1069364977 /nfs/dbraw/zinc/36/49/77/1069364977.db2.gz FXKHTMMVSHHSEO-FQEVSTJZSA-N 1 2 442.545 0.866 20 30 ICEDLO Cn1cc([C@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CC[NH2+]2)cn1 ZINC001470879297 1069365046 /nfs/dbraw/zinc/36/50/46/1069365046.db2.gz FXKHTMMVSHHSEO-HXUWFJFHSA-N 1 2 442.545 0.866 20 30 ICEDLO C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC001470904460 1069367827 /nfs/dbraw/zinc/36/78/27/1069367827.db2.gz GNGBYHGLVXSCNJ-GOSISDBHSA-N 1 2 430.534 0.499 20 30 ICEDLO C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC001470904461 1069367696 /nfs/dbraw/zinc/36/76/96/1069367696.db2.gz GNGBYHGLVXSCNJ-SFHVURJKSA-N 1 2 430.534 0.499 20 30 ICEDLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 ZINC001471104064 1069390921 /nfs/dbraw/zinc/39/09/21/1069390921.db2.gz UXAAYVZDJABENQ-IFXJQAMLSA-N 1 2 426.539 0.372 20 30 ICEDLO C#CC[NH+]1CCC(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)CC1 ZINC001471938187 1069509906 /nfs/dbraw/zinc/50/99/06/1069509906.db2.gz DRCXLWSKCADLMN-GOSISDBHSA-N 1 2 435.546 0.442 20 30 ICEDLO C#CC[NH+]1CCC(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)CC1 ZINC001471938188 1069509727 /nfs/dbraw/zinc/50/97/27/1069509727.db2.gz DRCXLWSKCADLMN-SFHVURJKSA-N 1 2 435.546 0.442 20 30 ICEDLO C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC001473183440 1069585126 /nfs/dbraw/zinc/58/51/26/1069585126.db2.gz ZMMMLHUVGBCSTM-UHFFFAOYSA-N 1 2 449.515 0.765 20 30 ICEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H]3CS(=O)(=O)Cc4ccccc43)CC2)o1 ZINC001473664145 1069615970 /nfs/dbraw/zinc/61/59/70/1069615970.db2.gz REYJCASOHWFLJH-GOSISDBHSA-N 1 2 429.502 0.763 20 30 ICEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@H]3CS(=O)(=O)Cc4ccccc43)CC2)o1 ZINC001473664146 1069616544 /nfs/dbraw/zinc/61/65/44/1069616544.db2.gz REYJCASOHWFLJH-SFHVURJKSA-N 1 2 429.502 0.763 20 30 ICEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cn(CC(=O)OCC)nc2-c2ccccc2)CC1 ZINC001474681817 1069653381 /nfs/dbraw/zinc/65/33/81/1069653381.db2.gz OPGMOCQARKWEQI-UHFFFAOYSA-N 1 2 445.545 0.698 20 30 ICEDLO CC(C)(CC#N)CS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001474837312 1069667286 /nfs/dbraw/zinc/66/72/86/1069667286.db2.gz IIEDLIGBBXPXBL-UHFFFAOYSA-N 1 2 429.568 0.393 20 30 ICEDLO Cc1cccc(C#N)c1S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001474837381 1069667274 /nfs/dbraw/zinc/66/72/74/1069667274.db2.gz KOBDSXCCZYLNGN-UHFFFAOYSA-N 1 2 449.558 0.692 20 30 ICEDLO C#CCC1(O)CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001477274827 1069911656 /nfs/dbraw/zinc/91/16/56/1069911656.db2.gz AHPKXONYHAEAAM-UHFFFAOYSA-N 1 2 435.550 0.093 20 30 ICEDLO C#CCC1(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCOCC1 ZINC001477274976 1069912281 /nfs/dbraw/zinc/91/22/81/1069912281.db2.gz GEQRQQOQHMAZSJ-UHFFFAOYSA-N 1 2 435.550 0.405 20 30 ICEDLO N#Cc1csc(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC001477275111 1069913060 /nfs/dbraw/zinc/91/30/60/1069913060.db2.gz KIMOJXOZYVMEOR-UHFFFAOYSA-N 1 2 435.535 0.361 20 30 ICEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001478806219 1070018263 /nfs/dbraw/zinc/01/82/63/1070018263.db2.gz PXINMQWVUJFHIA-FQEVSTJZSA-N 1 2 435.594 0.993 20 30 ICEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001478806220 1070018409 /nfs/dbraw/zinc/01/84/09/1070018409.db2.gz PXINMQWVUJFHIA-HXUWFJFHSA-N 1 2 435.594 0.993 20 30 ICEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)cc1 ZINC001479138835 1070057453 /nfs/dbraw/zinc/05/74/53/1070057453.db2.gz ZELFEDGAQXXASK-IRFCIJBXSA-N 1 2 432.546 0.776 20 30 ICEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)cc1 ZINC001479138835 1070057438 /nfs/dbraw/zinc/05/74/38/1070057438.db2.gz ZELFEDGAQXXASK-IRFCIJBXSA-N 1 2 432.546 0.776 20 30 ICEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)cc1 ZINC001479138836 1070057615 /nfs/dbraw/zinc/05/76/15/1070057615.db2.gz ZELFEDGAQXXASK-QKNQBKEWSA-N 1 2 432.546 0.776 20 30 ICEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)cc1 ZINC001479138836 1070057604 /nfs/dbraw/zinc/05/76/04/1070057604.db2.gz ZELFEDGAQXXASK-QKNQBKEWSA-N 1 2 432.546 0.776 20 30 ICEDLO C[C@@H]1COCC[N@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001494600872 1070167483 /nfs/dbraw/zinc/16/74/83/1070167483.db2.gz AORJZVSRSALRPN-AEFFLSMTSA-N 1 2 439.520 0.761 20 30 ICEDLO C[C@@H]1COCC[N@@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001494600872 1070167477 /nfs/dbraw/zinc/16/74/77/1070167477.db2.gz AORJZVSRSALRPN-AEFFLSMTSA-N 1 2 439.520 0.761 20 30 ICEDLO C[C@H]1COCC[N@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001494600881 1070167414 /nfs/dbraw/zinc/16/74/14/1070167414.db2.gz AORJZVSRSALRPN-FUHWJXTLSA-N 1 2 439.520 0.761 20 30 ICEDLO C[C@H]1COCC[N@@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001494600881 1070167406 /nfs/dbraw/zinc/16/74/06/1070167406.db2.gz AORJZVSRSALRPN-FUHWJXTLSA-N 1 2 439.520 0.761 20 30 ICEDLO C[C@@H]1COCC[N@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001494600883 1070167240 /nfs/dbraw/zinc/16/72/40/1070167240.db2.gz AORJZVSRSALRPN-SJLPKXTDSA-N 1 2 439.520 0.761 20 30 ICEDLO C[C@@H]1COCC[N@@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001494600883 1070167236 /nfs/dbraw/zinc/16/72/36/1070167236.db2.gz AORJZVSRSALRPN-SJLPKXTDSA-N 1 2 439.520 0.761 20 30 ICEDLO C[C@H]1COCC[N@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001494600886 1070167342 /nfs/dbraw/zinc/16/73/42/1070167342.db2.gz AORJZVSRSALRPN-WMZOPIPTSA-N 1 2 439.520 0.761 20 30 ICEDLO C[C@H]1COCC[N@@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001494600886 1070167336 /nfs/dbraw/zinc/16/73/36/1070167336.db2.gz AORJZVSRSALRPN-WMZOPIPTSA-N 1 2 439.520 0.761 20 30 ICEDLO C[C@H]1COCC[N@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 ZINC001494602381 1070169237 /nfs/dbraw/zinc/16/92/37/1070169237.db2.gz MZMXYZJFGBXMFC-INIZCTEOSA-N 1 2 425.493 0.386 20 30 ICEDLO C[C@H]1COCC[N@@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 ZINC001494602381 1070169236 /nfs/dbraw/zinc/16/92/36/1070169236.db2.gz MZMXYZJFGBXMFC-INIZCTEOSA-N 1 2 425.493 0.386 20 30 ICEDLO C[C@@H]1COCC[N@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 ZINC001494602382 1070169145 /nfs/dbraw/zinc/16/91/45/1070169145.db2.gz MZMXYZJFGBXMFC-MRXNPFEDSA-N 1 2 425.493 0.386 20 30 ICEDLO C[C@@H]1COCC[N@@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 ZINC001494602382 1070169143 /nfs/dbraw/zinc/16/91/43/1070169143.db2.gz MZMXYZJFGBXMFC-MRXNPFEDSA-N 1 2 425.493 0.386 20 30 ICEDLO CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[N@H+]1CCOC[C@H]1C ZINC001499164938 1070265777 /nfs/dbraw/zinc/26/57/77/1070265777.db2.gz RMCBSSZBNWOBCH-DLBZAZTESA-N 1 2 425.541 0.938 20 30 ICEDLO CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001499164938 1070265764 /nfs/dbraw/zinc/26/57/64/1070265764.db2.gz RMCBSSZBNWOBCH-DLBZAZTESA-N 1 2 425.541 0.938 20 30 ICEDLO CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[N@H+]1CCOC[C@H]1C ZINC001499164939 1070265959 /nfs/dbraw/zinc/26/59/59/1070265959.db2.gz RMCBSSZBNWOBCH-IAGOWNOFSA-N 1 2 425.541 0.938 20 30 ICEDLO CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001499164939 1070265949 /nfs/dbraw/zinc/26/59/49/1070265949.db2.gz RMCBSSZBNWOBCH-IAGOWNOFSA-N 1 2 425.541 0.938 20 30 ICEDLO CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001499164940 1070265889 /nfs/dbraw/zinc/26/58/89/1070265889.db2.gz RMCBSSZBNWOBCH-IRXDYDNUSA-N 1 2 425.541 0.938 20 30 ICEDLO CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001499164940 1070265876 /nfs/dbraw/zinc/26/58/76/1070265876.db2.gz RMCBSSZBNWOBCH-IRXDYDNUSA-N 1 2 425.541 0.938 20 30 ICEDLO CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001499165041 1070265726 /nfs/dbraw/zinc/26/57/26/1070265726.db2.gz RMCBSSZBNWOBCH-SJORKVTESA-N 1 2 425.541 0.938 20 30 ICEDLO CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001499165041 1070265711 /nfs/dbraw/zinc/26/57/11/1070265711.db2.gz RMCBSSZBNWOBCH-SJORKVTESA-N 1 2 425.541 0.938 20 30 ICEDLO CCN1CC[NH+]([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001502310382 1070414328 /nfs/dbraw/zinc/41/43/28/1070414328.db2.gz YMYBPYCRXNEWBL-BBWFWOEESA-N 1 2 440.618 0.510 20 30 ICEDLO CCN1CC[NH+]([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001502310383 1070414081 /nfs/dbraw/zinc/41/40/81/1070414081.db2.gz YMYBPYCRXNEWBL-BRWVUGGUSA-N 1 2 440.618 0.510 20 30 ICEDLO CCN1CC[NH+]([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001502310384 1070414112 /nfs/dbraw/zinc/41/41/12/1070414112.db2.gz YMYBPYCRXNEWBL-GVDBMIGSSA-N 1 2 440.618 0.510 20 30 ICEDLO CCN1CC[NH+]([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001502310385 1070414276 /nfs/dbraw/zinc/41/42/76/1070414276.db2.gz YMYBPYCRXNEWBL-ZACQAIPSSA-N 1 2 440.618 0.510 20 30 ICEDLO CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502618556 1070477766 /nfs/dbraw/zinc/47/77/66/1070477766.db2.gz JREYUEPYRQYAPL-DYESRHJHSA-N 1 2 433.557 0.833 20 30 ICEDLO CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502618561 1070477707 /nfs/dbraw/zinc/47/77/07/1070477707.db2.gz JREYUEPYRQYAPL-LAUBAEHRSA-N 1 2 433.557 0.833 20 30 ICEDLO CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502618562 1070477659 /nfs/dbraw/zinc/47/76/59/1070477659.db2.gz JREYUEPYRQYAPL-UTKZUKDTSA-N 1 2 433.557 0.833 20 30 ICEDLO CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502618564 1070477747 /nfs/dbraw/zinc/47/77/47/1070477747.db2.gz JREYUEPYRQYAPL-UWJYYQICSA-N 1 2 433.557 0.833 20 30 ICEDLO CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001502729248 1070505770 /nfs/dbraw/zinc/50/57/70/1070505770.db2.gz MWIZAOJMCIOSGJ-DYESRHJHSA-N 1 2 434.541 0.770 20 30 ICEDLO CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001502729248 1070505763 /nfs/dbraw/zinc/50/57/63/1070505763.db2.gz MWIZAOJMCIOSGJ-DYESRHJHSA-N 1 2 434.541 0.770 20 30 ICEDLO CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001502729249 1070506413 /nfs/dbraw/zinc/50/64/13/1070506413.db2.gz MWIZAOJMCIOSGJ-LAUBAEHRSA-N 1 2 434.541 0.770 20 30 ICEDLO CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001502729249 1070506402 /nfs/dbraw/zinc/50/64/02/1070506402.db2.gz MWIZAOJMCIOSGJ-LAUBAEHRSA-N 1 2 434.541 0.770 20 30 ICEDLO CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001502729250 1070506372 /nfs/dbraw/zinc/50/63/72/1070506372.db2.gz MWIZAOJMCIOSGJ-UTKZUKDTSA-N 1 2 434.541 0.770 20 30 ICEDLO CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001502729250 1070506355 /nfs/dbraw/zinc/50/63/55/1070506355.db2.gz MWIZAOJMCIOSGJ-UTKZUKDTSA-N 1 2 434.541 0.770 20 30 ICEDLO CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001502729251 1070506528 /nfs/dbraw/zinc/50/65/28/1070506528.db2.gz MWIZAOJMCIOSGJ-UWJYYQICSA-N 1 2 434.541 0.770 20 30 ICEDLO CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001502729251 1070506521 /nfs/dbraw/zinc/50/65/21/1070506521.db2.gz MWIZAOJMCIOSGJ-UWJYYQICSA-N 1 2 434.541 0.770 20 30 ICEDLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 ZINC001503620252 1070688469 /nfs/dbraw/zinc/68/84/69/1070688469.db2.gz RCSJVJCDACPJIS-UHFFFAOYSA-N 1 2 439.520 0.444 20 30 ICEDLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O ZINC001503620261 1070688255 /nfs/dbraw/zinc/68/82/55/1070688255.db2.gz RNJYDZGHRRXZOU-UHFFFAOYSA-N 1 2 447.565 0.524 20 30 ICEDLO CN(CC[NH+]1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1 ZINC001503621268 1070689160 /nfs/dbraw/zinc/68/91/60/1070689160.db2.gz MZFWAQBKTJACOE-FQEVSTJZSA-N 1 2 442.520 0.913 20 30 ICEDLO COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001519161055 1071015355 /nfs/dbraw/zinc/01/53/55/1071015355.db2.gz FVUBHVHCLKCOFH-UHFFFAOYSA-N 1 2 433.557 0.991 20 30 ICEDLO COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001519161055 1071015339 /nfs/dbraw/zinc/01/53/39/1071015339.db2.gz FVUBHVHCLKCOFH-UHFFFAOYSA-N 1 2 433.557 0.991 20 30 ICEDLO COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001519164613 1071015197 /nfs/dbraw/zinc/01/51/97/1071015197.db2.gz KIAOLJVBGJKPON-IBGZPJMESA-N 1 2 433.557 0.703 20 30 ICEDLO COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001519164616 1071015305 /nfs/dbraw/zinc/01/53/05/1071015305.db2.gz KIAOLJVBGJKPON-LJQANCHMSA-N 1 2 433.557 0.703 20 30 ICEDLO COCCN(CCC#N)c1nnc(-c2cnccn2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001519164823 1071015800 /nfs/dbraw/zinc/01/58/00/1071015800.db2.gz UTLWKAKSFJDWRV-UHFFFAOYSA-N 1 2 427.513 0.266 20 30 ICEDLO C=CCNS(=O)(=O)c1cc(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)ccc1F ZINC001527880397 1071305008 /nfs/dbraw/zinc/30/50/08/1071305008.db2.gz LJONMGXSMVEVMO-UHFFFAOYSA-N 1 2 441.525 0.901 20 30 ICEDLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC001532302552 1071379499 /nfs/dbraw/zinc/37/94/99/1071379499.db2.gz UXNOTYCFMBPFKB-UHFFFAOYSA-N 1 2 436.534 0.647 20 30 ICEDLO N#Cc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)nc1Cl ZINC001533797127 1071406081 /nfs/dbraw/zinc/40/60/81/1071406081.db2.gz IMUDVKXNFMQVOP-UHFFFAOYSA-N 1 2 434.909 0.883 20 30 ICEDLO N#C[C@]12CN(C(=O)c3cccc(NC(=O)CCn4cc[nH+]c4)c3)C[C@H]1CS(=O)(=O)C2 ZINC001537005595 1071489754 /nfs/dbraw/zinc/48/97/54/1071489754.db2.gz JMZGEVJPIFBPCE-OXJNMPFZSA-N 1 2 427.486 0.922 20 30 ICEDLO C#CC[NH+]1CCC(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 ZINC001537529144 1071505567 /nfs/dbraw/zinc/50/55/67/1071505567.db2.gz KHRHYCYBLLQCEL-KRWDZBQOSA-N 1 2 427.567 0.872 20 30 ICEDLO C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 ZINC001537529145 1071505794 /nfs/dbraw/zinc/50/57/94/1071505794.db2.gz KHRHYCYBLLQCEL-QGZVFWFLSA-N 1 2 427.567 0.872 20 30 ICEDLO N#C[C@@]12CN(C(=O)c3cccc(NC(=O)CCn4cc[nH+]c4)c3)C[C@H]1CS(=O)(=O)C2 ZINC001538539551 1071539122 /nfs/dbraw/zinc/53/91/22/1071539122.db2.gz JMZGEVJPIFBPCE-JXFKEZNVSA-N 1 2 427.486 0.922 20 30 ICEDLO CCOC(=O)CON=C(C(=O)N1CC[NH+](CCOc2ccccc2)CC1)c1ccn[nH]1 ZINC001538617294 1071542405 /nfs/dbraw/zinc/54/24/05/1071542405.db2.gz MAEFBEQVBPCODT-UHFFFAOYSA-N 1 2 429.477 0.917 20 30 ICEDLO C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001539179665 1071567732 /nfs/dbraw/zinc/56/77/32/1071567732.db2.gz QWKCUDMJDIMGOJ-CVEARBPZSA-N 1 2 444.565 0.750 20 30 ICEDLO C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001539179665 1071567726 /nfs/dbraw/zinc/56/77/26/1071567726.db2.gz QWKCUDMJDIMGOJ-CVEARBPZSA-N 1 2 444.565 0.750 20 30 ICEDLO C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001539179669 1071567867 /nfs/dbraw/zinc/56/78/67/1071567867.db2.gz QWKCUDMJDIMGOJ-HOTGVXAUSA-N 1 2 444.565 0.750 20 30 ICEDLO C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001539179669 1071567860 /nfs/dbraw/zinc/56/78/60/1071567860.db2.gz QWKCUDMJDIMGOJ-HOTGVXAUSA-N 1 2 444.565 0.750 20 30 ICEDLO C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001539179670 1071568379 /nfs/dbraw/zinc/56/83/79/1071568379.db2.gz QWKCUDMJDIMGOJ-HZPDHXFCSA-N 1 2 444.565 0.750 20 30 ICEDLO C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001539179670 1071568371 /nfs/dbraw/zinc/56/83/71/1071568371.db2.gz QWKCUDMJDIMGOJ-HZPDHXFCSA-N 1 2 444.565 0.750 20 30 ICEDLO C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001539179673 1071568331 /nfs/dbraw/zinc/56/83/31/1071568331.db2.gz QWKCUDMJDIMGOJ-JKSUJKDBSA-N 1 2 444.565 0.750 20 30 ICEDLO C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001539179673 1071568321 /nfs/dbraw/zinc/56/83/21/1071568321.db2.gz QWKCUDMJDIMGOJ-JKSUJKDBSA-N 1 2 444.565 0.750 20 30 ICEDLO C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCNc1cccc[nH+]1 ZINC001539180275 1071568973 /nfs/dbraw/zinc/56/89/73/1071568973.db2.gz YTZHGBXNUAFBOJ-INIZCTEOSA-N 1 2 433.538 0.578 20 30 ICEDLO C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCNc1cccc[nH+]1 ZINC001539180276 1071569022 /nfs/dbraw/zinc/56/90/22/1071569022.db2.gz YTZHGBXNUAFBOJ-MRXNPFEDSA-N 1 2 433.538 0.578 20 30 ICEDLO C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1c[nH+]ccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC001539216089 1071573900 /nfs/dbraw/zinc/57/39/00/1071573900.db2.gz NNLMYTXIUGXRFR-KRWDZBQOSA-N 1 2 441.517 0.757 20 30 ICEDLO C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1c[nH+]ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC001539216093 1071573890 /nfs/dbraw/zinc/57/38/90/1071573890.db2.gz NNLMYTXIUGXRFR-QGZVFWFLSA-N 1 2 441.517 0.757 20 30 ICEDLO C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001539231576 1071578643 /nfs/dbraw/zinc/57/86/43/1071578643.db2.gz UCNPREWMOBWRKZ-UHFFFAOYSA-N 1 2 433.516 0.867 20 30 ICEDLO C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001539291973 1071582249 /nfs/dbraw/zinc/58/22/49/1071582249.db2.gz YVQGHIYKTWPSDP-UHFFFAOYSA-N 1 2 445.527 0.966 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(C(=O)NCC)CCC2)CC1 ZINC001539427610 1071588945 /nfs/dbraw/zinc/58/89/45/1071588945.db2.gz DXCCLHJQQISVNW-UHFFFAOYSA-N 1 2 427.553 0.576 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ncccc2F)CC1 ZINC001539427677 1071588966 /nfs/dbraw/zinc/58/89/66/1071588966.db2.gz HCGNTEOOQWYJOJ-UHFFFAOYSA-N 1 2 427.484 0.882 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)c2cccs2)CC1 ZINC001539427713 1071588973 /nfs/dbraw/zinc/58/89/73/1071588973.db2.gz IAYSGSCHRDIFHF-UHFFFAOYSA-N 1 2 429.550 0.663 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCSCCCO)CC1 ZINC001539427716 1071588990 /nfs/dbraw/zinc/58/89/90/1071588990.db2.gz IECKDHHEXAHMNF-UHFFFAOYSA-N 1 2 429.550 0.796 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(C(N)=O)CCCC2)CC1 ZINC001539427735 1071588960 /nfs/dbraw/zinc/58/89/60/1071588960.db2.gz IMQAMINQYPPOMP-UHFFFAOYSA-N 1 2 436.520 0.726 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCOC2=O)CC1 ZINC001539427769 1071589487 /nfs/dbraw/zinc/58/94/87/1071589487.db2.gz IQRKALWAHCJGTG-UHFFFAOYSA-N 1 2 438.492 0.523 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)N[C@@H](C)CC)CC1 ZINC001539427873 1071589529 /nfs/dbraw/zinc/58/95/29/1071589529.db2.gz JPMWKLVYDTZWDZ-KRWDZBQOSA-N 1 2 438.536 0.985 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)N[C@H](C)CC)CC1 ZINC001539427877 1071589623 /nfs/dbraw/zinc/58/96/23/1071589623.db2.gz JPMWKLVYDTZWDZ-QGZVFWFLSA-N 1 2 438.536 0.985 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cccc(C(=O)NC)c2)CC1 ZINC001539427894 1071589634 /nfs/dbraw/zinc/58/96/34/1071589634.db2.gz JUYNZMNTKXEJTB-UHFFFAOYSA-N 1 2 437.548 0.774 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2nnc3n2CCCCC3)CC1 ZINC001539427953 1071589501 /nfs/dbraw/zinc/58/95/01/1071589501.db2.gz KIZCOHAAMYQNHX-UHFFFAOYSA-N 1 2 439.568 0.732 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2cnn(C)n2)CC1 ZINC001539428239 1071589588 /nfs/dbraw/zinc/58/95/88/1071589588.db2.gz OBHDYMROBHIKIQ-UHFFFAOYSA-N 1 2 434.508 0.442 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C(=O)NCC)cc2)CC1 ZINC001539428252 1071589382 /nfs/dbraw/zinc/58/93/82/1071589382.db2.gz OGNPGTCYUJFNHV-UHFFFAOYSA-N 1 2 437.548 0.970 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=O)N(C)C)CC1 ZINC001539428310 1071589453 /nfs/dbraw/zinc/58/94/53/1071589453.db2.gz PWBLIJJEXUTHRI-UHFFFAOYSA-N 1 2 443.939 0.705 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCOCC2)CC1 ZINC001539428317 1071589471 /nfs/dbraw/zinc/58/94/71/1071589471.db2.gz QGOKFVATVFHCGY-UHFFFAOYSA-N 1 2 425.493 0.222 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CC(OCC)C2)CC1 ZINC001539428519 1071589605 /nfs/dbraw/zinc/58/96/05/1071589605.db2.gz SSWMMBLELDQUNW-UHFFFAOYSA-N 1 2 439.520 0.611 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(=O)NCC(F)(F)F)CC1 ZINC001539428652 1071589651 /nfs/dbraw/zinc/58/96/51/1071589651.db2.gz VKBYPRCEFLAOGX-UHFFFAOYSA-N 1 2 443.474 0.630 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2nnn(C)n2)CC1 ZINC001539428901 1071589669 /nfs/dbraw/zinc/58/96/69/1071589669.db2.gz XILSKFNANLQAGE-UHFFFAOYSA-N 1 2 434.508 0.474 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)C(=O)NCC)CC1 ZINC001539428905 1071589514 /nfs/dbraw/zinc/58/95/14/1071589514.db2.gz XNYUZKBBDHSHMI-UHFFFAOYSA-N 1 2 438.536 0.843 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C)n(C)c2=O)CC1 ZINC001539428975 1071589558 /nfs/dbraw/zinc/58/95/58/1071589558.db2.gz YVKYIYZLXSWTOO-UHFFFAOYSA-N 1 2 446.515 0.736 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCN(C(=O)OC)CC2)CC1 ZINC001539429038 1071589439 /nfs/dbraw/zinc/58/94/39/1071589439.db2.gz ZSZFKPBVUORMRA-UHFFFAOYSA-N 1 2 443.552 0.748 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCOC(F)(F)F)CC1 ZINC001539429924 1071590231 /nfs/dbraw/zinc/59/02/31/1071590231.db2.gz FYOCATYHWCQJKP-CYBMUJFWSA-N 1 2 438.476 0.570 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCOC(F)(F)F)CC1 ZINC001539429927 1071590344 /nfs/dbraw/zinc/59/03/44/1071590344.db2.gz FYOCATYHWCQJKP-ZDUSSCGKSA-N 1 2 438.476 0.570 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@H]2CCO[C@@H](C)C2)CC1 ZINC001539430066 1071590087 /nfs/dbraw/zinc/59/00/87/1071590087.db2.gz GWAUCVQNLPUHBL-BZSNNMDCSA-N 1 2 438.598 0.849 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@@H]2CCO[C@H](C)C2)CC1 ZINC001539430069 1071590209 /nfs/dbraw/zinc/59/02/09/1071590209.db2.gz GWAUCVQNLPUHBL-FGTMMUONSA-N 1 2 438.598 0.849 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001539430072 1071590150 /nfs/dbraw/zinc/59/01/50/1071590150.db2.gz GWAUCVQNLPUHBL-OKZBNKHCSA-N 1 2 438.598 0.849 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@H]2CCO[C@H](C)C2)CC1 ZINC001539430075 1071590060 /nfs/dbraw/zinc/59/00/60/1071590060.db2.gz GWAUCVQNLPUHBL-SQNIBIBYSA-N 1 2 438.598 0.849 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 ZINC001539430142 1071590308 /nfs/dbraw/zinc/59/03/08/1071590308.db2.gz HJDAUMVJFXRMOS-ABSDTBQOSA-N 1 2 438.598 0.991 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC[C@](C)(CC)O2)CC1 ZINC001539430150 1071589976 /nfs/dbraw/zinc/58/99/76/1071589976.db2.gz HJDAUMVJFXRMOS-QKLQHJQFSA-N 1 2 438.598 0.991 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 ZINC001539430155 1071590324 /nfs/dbraw/zinc/59/03/24/1071590324.db2.gz HJDAUMVJFXRMOS-SQGPQFPESA-N 1 2 438.598 0.991 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 ZINC001539430158 1071590363 /nfs/dbraw/zinc/59/03/63/1071590363.db2.gz HJDAUMVJFXRMOS-ZWOKBUDYSA-N 1 2 438.598 0.991 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)CCOC)CC1 ZINC001539430208 1071590041 /nfs/dbraw/zinc/59/00/41/1071590041.db2.gz HKDKRLQDFCVOSJ-FCHUYYIVSA-N 1 2 435.569 0.861 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@](C)(O)CCOC)CC1 ZINC001539430215 1071590109 /nfs/dbraw/zinc/59/01/09/1071590109.db2.gz HKDKRLQDFCVOSJ-FGZHOGPDSA-N 1 2 435.569 0.861 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)CCOC)CC1 ZINC001539430217 1071590258 /nfs/dbraw/zinc/59/02/58/1071590258.db2.gz HKDKRLQDFCVOSJ-VXKWHMMOSA-N 1 2 435.569 0.861 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@](C)(O)CCOC)CC1 ZINC001539430220 1071590129 /nfs/dbraw/zinc/59/01/29/1071590129.db2.gz HKDKRLQDFCVOSJ-YADHBBJMSA-N 1 2 435.569 0.861 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC(=O)N[C@@H](C)CC)CC1 ZINC001539430433 1071590384 /nfs/dbraw/zinc/59/03/84/1071590384.db2.gz JYIAZIFJTQCCHC-AVRDEDQJSA-N 1 2 432.569 0.990 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC(=O)N[C@H](C)CC)CC1 ZINC001539430436 1071590022 /nfs/dbraw/zinc/59/00/22/1071590022.db2.gz JYIAZIFJTQCCHC-GCJKJVERSA-N 1 2 432.569 0.990 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC(=O)N[C@@H](C)CC)CC1 ZINC001539430438 1071590923 /nfs/dbraw/zinc/59/09/23/1071590923.db2.gz JYIAZIFJTQCCHC-PGRDOPGGSA-N 1 2 432.569 0.990 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC(=O)N[C@H](C)CC)CC1 ZINC001539430440 1071590803 /nfs/dbraw/zinc/59/08/03/1071590803.db2.gz JYIAZIFJTQCCHC-XMSQKQJNSA-N 1 2 432.569 0.990 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001539430468 1071590664 /nfs/dbraw/zinc/59/06/64/1071590664.db2.gz KIUOCOPPORXAEI-JOCHJYFZSA-N 1 2 439.520 0.228 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001539430474 1071590981 /nfs/dbraw/zinc/59/09/81/1071590981.db2.gz KIUOCOPPORXAEI-QFIPXVFZSA-N 1 2 439.520 0.228 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cn3ccsc3n2)CC1 ZINC001539430491 1071590859 /nfs/dbraw/zinc/59/08/59/1071590859.db2.gz JMDSQAJPPFYGQY-AWEZNQCLSA-N 1 2 448.578 0.401 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cn3ccsc3n2)CC1 ZINC001539430542 1071590902 /nfs/dbraw/zinc/59/09/02/1071590902.db2.gz JMDSQAJPPFYGQY-CQSZACIVSA-N 1 2 448.578 0.401 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C)n(C)c2=O)CC1 ZINC001539430599 1071590957 /nfs/dbraw/zinc/59/09/57/1071590957.db2.gz LTWGZCJVEUDQTH-GOSISDBHSA-N 1 2 428.537 0.813 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C)n(C)c2=O)CC1 ZINC001539430600 1071591027 /nfs/dbraw/zinc/59/10/27/1071591027.db2.gz LTWGZCJVEUDQTH-SFHVURJKSA-N 1 2 428.537 0.813 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2c[nH]nc2C)CC1 ZINC001539430623 1071590687 /nfs/dbraw/zinc/59/06/87/1071590687.db2.gz KHHQYTNSZGRGCZ-INIZCTEOSA-N 1 2 434.570 0.308 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2c[nH]nc2C)CC1 ZINC001539430630 1071590714 /nfs/dbraw/zinc/59/07/14/1071590714.db2.gz KHHQYTNSZGRGCZ-MRXNPFEDSA-N 1 2 434.570 0.308 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CCOC2=O)CC1 ZINC001539430770 1071591009 /nfs/dbraw/zinc/59/10/09/1071591009.db2.gz NOLXRIHBXNBAAY-JOCHJYFZSA-N 1 2 446.552 0.916 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2CCOC2=O)CC1 ZINC001539430771 1071590779 /nfs/dbraw/zinc/59/07/79/1071590779.db2.gz NOLXRIHBXNBAAY-QFIPXVFZSA-N 1 2 446.552 0.916 20 30 ICEDLO C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001539430959 1071590993 /nfs/dbraw/zinc/59/09/93/1071590993.db2.gz PUSBDQKRODDGAN-HSZRJFAPSA-N 1 2 446.596 0.796 20 30 ICEDLO C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001539430960 1071590825 /nfs/dbraw/zinc/59/08/25/1071590825.db2.gz PUSBDQKRODDGAN-QHCPKHFHSA-N 1 2 446.596 0.796 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)OCCOC)n2CC(=O)NCC(F)(F)F)CC1 ZINC001539430997 1071590754 /nfs/dbraw/zinc/59/07/54/1071590754.db2.gz QMSOZDMKCLANNC-AWEZNQCLSA-N 1 2 432.447 0.436 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)OCCOC)n2CC(=O)NCC(F)(F)F)CC1 ZINC001539431002 1071590880 /nfs/dbraw/zinc/59/08/80/1071590880.db2.gz QMSOZDMKCLANNC-CQSZACIVSA-N 1 2 432.447 0.436 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2nccs2)CC1 ZINC001539431312 1071591579 /nfs/dbraw/zinc/59/15/79/1071591579.db2.gz RAGXOKWTPNVYOC-HNNXBMFYSA-N 1 2 437.595 0.733 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2nccs2)CC1 ZINC001539431315 1071591670 /nfs/dbraw/zinc/59/16/70/1071591670.db2.gz RAGXOKWTPNVYOC-OAHLLOKOSA-N 1 2 437.595 0.733 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nnc(C)s2)CC1 ZINC001539431354 1071591481 /nfs/dbraw/zinc/59/14/81/1071591481.db2.gz RFDYCBYDWIJXFS-CYBMUJFWSA-N 1 2 438.583 0.046 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2nnc(C)s2)CC1 ZINC001539431361 1071591558 /nfs/dbraw/zinc/59/15/58/1071591558.db2.gz RFDYCBYDWIJXFS-ZDUSSCGKSA-N 1 2 438.583 0.046 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCn2ccnn2)CC1 ZINC001539431712 1071591424 /nfs/dbraw/zinc/59/14/24/1071591424.db2.gz XAKORDAOCYDVNA-NRFANRHFSA-N 1 2 428.541 0.756 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCn2ccnn2)CC1 ZINC001539431714 1071591543 /nfs/dbraw/zinc/59/15/43/1071591543.db2.gz XAKORDAOCYDVNA-OAQYLSRUSA-N 1 2 428.541 0.756 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2CCOC2=O)CC1 ZINC001539431838 1071591453 /nfs/dbraw/zinc/59/14/53/1071591453.db2.gz XGFOABPXEMPDJX-NRFANRHFSA-N 1 2 432.525 0.528 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN2CCOC2=O)CC1 ZINC001539431839 1071591661 /nfs/dbraw/zinc/59/16/61/1071591661.db2.gz XGFOABPXEMPDJX-OAQYLSRUSA-N 1 2 432.525 0.528 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CCN(C(C)=O)CC2)CC1 ZINC001539432072 1071591636 /nfs/dbraw/zinc/59/16/36/1071591636.db2.gz YDUCXOYCIUSVCR-HSZRJFAPSA-N 1 2 444.580 0.944 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2CCN(C(C)=O)CC2)CC1 ZINC001539432078 1071591614 /nfs/dbraw/zinc/59/16/14/1071591614.db2.gz YDUCXOYCIUSVCR-QHCPKHFHSA-N 1 2 444.580 0.944 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2noc(CC)n2)CC1 ZINC001539432119 1071591382 /nfs/dbraw/zinc/59/13/82/1071591382.db2.gz YEOPNWFEMVBXDH-NRFANRHFSA-N 1 2 429.525 0.874 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2noc(CC)n2)CC1 ZINC001539432126 1071591356 /nfs/dbraw/zinc/59/13/56/1071591356.db2.gz YEOPNWFEMVBXDH-OAQYLSRUSA-N 1 2 429.525 0.874 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc3c2OCO3)CC1 ZINC001539432259 1071591527 /nfs/dbraw/zinc/59/15/27/1071591527.db2.gz ZNXZFWPEEVGDAE-HNNXBMFYSA-N 1 2 446.533 0.421 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc3c2OCO3)CC1 ZINC001539432262 1071591647 /nfs/dbraw/zinc/59/16/47/1071591647.db2.gz ZNXZFWPEEVGDAE-OAHLLOKOSA-N 1 2 446.533 0.421 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)N(C)CC)CC1 ZINC001539434306 1071591974 /nfs/dbraw/zinc/59/19/74/1071591974.db2.gz HSZKGWVIEMEMKV-UHFFFAOYSA-N 1 2 444.561 0.582 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)NC)CC1 ZINC001539434376 1071592053 /nfs/dbraw/zinc/59/20/53/1071592053.db2.gz KBUQPYPQPAWOKR-UHFFFAOYSA-N 1 2 430.534 0.240 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2CCC(=O)N2CCOCC2)CC1 ZINC001539434567 1071592128 /nfs/dbraw/zinc/59/21/28/1071592128.db2.gz NMUWOSBZGQZIRF-UHFFFAOYSA-N 1 2 438.532 0.958 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCS(=O)(=O)NC)CC1 ZINC001539435832 1071592243 /nfs/dbraw/zinc/59/22/43/1071592243.db2.gz CKUIBNHBQGSFBF-UHFFFAOYSA-N 1 2 448.549 0.267 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001539435844 1071591943 /nfs/dbraw/zinc/59/19/43/1071591943.db2.gz CUEXQBHXMDESNN-UHFFFAOYSA-N 1 2 438.532 0.991 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCNS(C)(=O)=O)CC1 ZINC001539436133 1071592177 /nfs/dbraw/zinc/59/21/77/1071592177.db2.gz KNNAMXPLGMOLEQ-UHFFFAOYSA-N 1 2 437.957 0.688 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001539436229 1071592162 /nfs/dbraw/zinc/59/21/62/1071592162.db2.gz NUOSTZMCWNEZTL-HNNXBMFYSA-N 1 2 442.911 0.737 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNS(=O)(=O)CC)CC1 ZINC001539436488 1071592281 /nfs/dbraw/zinc/59/22/81/1071592281.db2.gz UKIDKUCSNDALFV-UHFFFAOYSA-N 1 2 437.957 0.688 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCNS(C)(=O)=O)CC1 ZINC001539436712 1071592298 /nfs/dbraw/zinc/59/22/98/1071592298.db2.gz ZMCYTTAQHDCQQY-UHFFFAOYSA-N 1 2 432.550 0.648 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOCCOC)CC1 ZINC001539437527 1071592222 /nfs/dbraw/zinc/59/22/22/1071592222.db2.gz DBAKUAGGHHJLFR-UHFFFAOYSA-N 1 2 447.561 0.767 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(=O)(=O)CC)CC1 ZINC001539441887 1071592836 /nfs/dbraw/zinc/59/28/36/1071592836.db2.gz YGHIFALXNQFLKH-UHFFFAOYSA-N 1 2 441.561 0.901 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 ZINC001539443898 1071592692 /nfs/dbraw/zinc/59/26/92/1071592692.db2.gz ACAMQOMTYDDRET-UHFFFAOYSA-N 1 2 446.515 0.292 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC2CCN(C(=O)OC)CC2)CC1 ZINC001539445046 1071592850 /nfs/dbraw/zinc/59/28/50/1071592850.db2.gz ZZNCCSARNCHVFF-UHFFFAOYSA-N 1 2 426.525 0.912 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(=O)N(C)C)CC1 ZINC001539445682 1071592873 /nfs/dbraw/zinc/59/28/73/1071592873.db2.gz BYIHOXJFTHGZKI-UHFFFAOYSA-N 1 2 444.565 0.082 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3noc4c3COCC4)n2CCCNC(=O)C(C)C)CC1 ZINC001539445988 1071592738 /nfs/dbraw/zinc/59/27/38/1071592738.db2.gz MUJJDGCIGDNWBX-UHFFFAOYSA-N 1 2 441.536 0.923 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CC2(OCCOC)CCOCC2)CC1 ZINC001539446316 1071593369 /nfs/dbraw/zinc/59/33/69/1071593369.db2.gz BKQAADSZQSQZID-IBGZPJMESA-N 1 2 433.553 0.749 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CC2(OCCOC)CCOCC2)CC1 ZINC001539446317 1071593240 /nfs/dbraw/zinc/59/32/40/1071593240.db2.gz BKQAADSZQSQZID-LJQANCHMSA-N 1 2 433.553 0.749 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(=O)NCC)c2)CC1 ZINC001539446390 1071593278 /nfs/dbraw/zinc/59/32/78/1071593278.db2.gz XWRIJHMXYWHRQU-IBGZPJMESA-N 1 2 435.532 0.782 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(=O)NCC)c2)CC1 ZINC001539446392 1071593470 /nfs/dbraw/zinc/59/34/70/1071593470.db2.gz XWRIJHMXYWHRQU-LJQANCHMSA-N 1 2 435.532 0.782 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCCS2(=O)=O)CC1 ZINC001539446419 1071593494 /nfs/dbraw/zinc/59/34/94/1071593494.db2.gz YJYQZERTOMIPLP-UHFFFAOYSA-N 1 2 429.550 0.439 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001539446452 1071593356 /nfs/dbraw/zinc/59/33/56/1071593356.db2.gz CTYOBFIMDJVZCW-GOSISDBHSA-N 1 2 429.546 0.989 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001539446454 1071593258 /nfs/dbraw/zinc/59/32/58/1071593258.db2.gz CTYOBFIMDJVZCW-SFHVURJKSA-N 1 2 429.546 0.989 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCOCCCO)CC1 ZINC001539452625 1071594003 /nfs/dbraw/zinc/59/40/03/1071594003.db2.gz WFKIBVJISKTSNC-FQEVSTJZSA-N 1 2 427.505 0.945 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCOCCCO)CC1 ZINC001539452626 1071593935 /nfs/dbraw/zinc/59/39/35/1071593935.db2.gz WFKIBVJISKTSNC-HXUWFJFHSA-N 1 2 427.505 0.945 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC=CCC2)CC1 ZINC001539452654 1071593819 /nfs/dbraw/zinc/59/38/19/1071593819.db2.gz XFLRVUGQGZLLNR-MOPGFXCFSA-N 1 2 448.593 0.723 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC=CCC2)CC1 ZINC001539452655 1071593968 /nfs/dbraw/zinc/59/39/68/1071593968.db2.gz XFLRVUGQGZLLNR-OALUTQOASA-N 1 2 448.593 0.723 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC=CCC2)CC1 ZINC001539452656 1071593868 /nfs/dbraw/zinc/59/38/68/1071593868.db2.gz XFLRVUGQGZLLNR-RBUKOAKNSA-N 1 2 448.593 0.723 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC=CCC2)CC1 ZINC001539452657 1071593776 /nfs/dbraw/zinc/59/37/76/1071593776.db2.gz XFLRVUGQGZLLNR-RTBURBONSA-N 1 2 448.593 0.723 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2CCS(=O)(=O)NC)CC1 ZINC001539453175 1071593985 /nfs/dbraw/zinc/59/39/85/1071593985.db2.gz FZBPTNWYNVBQKY-UHFFFAOYSA-N 1 2 432.550 0.182 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001539453288 1071593849 /nfs/dbraw/zinc/59/38/49/1071593849.db2.gz HOUDYCNZDWZVKS-DQRAZIAOSA-N 1 2 446.515 0.546 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001539453291 1071593885 /nfs/dbraw/zinc/59/38/85/1071593885.db2.gz HOUDYCNZDWZVKS-QURGRASLSA-N 1 2 446.515 0.546 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CCNS(=O)(=O)CC)CC1 ZINC001539453357 1071594028 /nfs/dbraw/zinc/59/40/28/1071594028.db2.gz IMKCABIXLWYRDQ-UHFFFAOYSA-N 1 2 434.541 0.703 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccncc3)n2CCCN(C)S(=O)(=O)CC)CC1 ZINC001539453577 1071593954 /nfs/dbraw/zinc/59/39/54/1071593954.db2.gz MNFFUASMKQGFAY-UHFFFAOYSA-N 1 2 445.593 0.691 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccn3)n2CCCN(C)S(=O)(=O)CC)CC1 ZINC001539453664 1071594578 /nfs/dbraw/zinc/59/45/78/1071594578.db2.gz OMYAHVXVDXYVSF-UHFFFAOYSA-N 1 2 445.593 0.691 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccncc3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001539453777 1071594560 /nfs/dbraw/zinc/59/45/60/1071594560.db2.gz QYNMJEHENAFRPO-DQRAZIAOSA-N 1 2 446.515 0.546 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccncc3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001539453778 1071594349 /nfs/dbraw/zinc/59/43/49/1071594349.db2.gz QYNMJEHENAFRPO-QURGRASLSA-N 1 2 446.515 0.546 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(CCCc3ccccc3)n2CCS(=O)(=O)NC)CC1 ZINC001539453959 1071594623 /nfs/dbraw/zinc/59/46/23/1071594623.db2.gz DTQKJDCSVBYQIZ-UHFFFAOYSA-N 1 2 430.578 0.758 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCNS(C)(=O)=O)CC1 ZINC001539454074 1071594488 /nfs/dbraw/zinc/59/44/88/1071594488.db2.gz WBRJUGUIVDBRBD-UHFFFAOYSA-N 1 2 436.969 0.827 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(CC3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001539454093 1071594394 /nfs/dbraw/zinc/59/43/94/1071594394.db2.gz IDBVUEHKCLVIIY-UHFFFAOYSA-N 1 2 435.594 0.706 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001539454128 1071594448 /nfs/dbraw/zinc/59/44/48/1071594448.db2.gz XEBNDFCRZIZIHD-DQRAZIAOSA-N 1 2 446.515 0.546 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001539454129 1071594597 /nfs/dbraw/zinc/59/45/97/1071594597.db2.gz XEBNDFCRZIZIHD-QURGRASLSA-N 1 2 446.515 0.546 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCCN(C)S(=O)(=O)CC)CC1 ZINC001539454203 1071594375 /nfs/dbraw/zinc/59/43/75/1071594375.db2.gz ZWYCUGSIBIIZDW-UHFFFAOYSA-N 1 2 445.593 0.691 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(O)CCOC2)CC1 ZINC001539454581 1071594464 /nfs/dbraw/zinc/59/44/64/1071594464.db2.gz TUZHZTHSDIKCSQ-HSZRJFAPSA-N 1 2 425.533 0.979 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(O)CCOC2)CC1 ZINC001539454582 1071594323 /nfs/dbraw/zinc/59/43/23/1071594323.db2.gz TUZHZTHSDIKCSQ-QHCPKHFHSA-N 1 2 425.533 0.979 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(CCc3ccccc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001539454622 1071594644 /nfs/dbraw/zinc/59/46/44/1071594644.db2.gz VOFFSQHFQROPKY-IBGZPJMESA-N 1 2 435.532 0.807 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001539454624 1071594516 /nfs/dbraw/zinc/59/45/16/1071594516.db2.gz VOVFNJPLLFAJAJ-INIZCTEOSA-N 1 2 442.549 0.377 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC001539459247 1071594427 /nfs/dbraw/zinc/59/44/27/1071594427.db2.gz APMGQHGDQITJTO-UHFFFAOYSA-N 1 2 449.559 0.906 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(=O)NCCC)CC1 ZINC001539459304 1071594537 /nfs/dbraw/zinc/59/45/37/1071594537.db2.gz CSBWHDFRVFEIHW-UHFFFAOYSA-N 1 2 443.577 0.941 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CCN(C)CC(F)(F)F)CC1 ZINC001539459556 1071595184 /nfs/dbraw/zinc/59/51/84/1071595184.db2.gz JQSLZYWMXYKVCB-UHFFFAOYSA-N 1 2 427.475 0.650 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2CCNS(C)(=O)=O)CC1 ZINC001539459576 1071594983 /nfs/dbraw/zinc/59/49/83/1071594983.db2.gz KSVWIBSZDNNIBD-UHFFFAOYSA-N 1 2 432.550 0.470 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)N2CCCCC2)CC1 ZINC001539459826 1071595006 /nfs/dbraw/zinc/59/50/06/1071595006.db2.gz OZAZRGABIMKAHH-UHFFFAOYSA-N 1 2 427.553 0.558 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2ccco2)CC1 ZINC001539459920 1071595153 /nfs/dbraw/zinc/59/51/53/1071595153.db2.gz SJTIYYWESLAYBR-UHFFFAOYSA-N 1 2 436.520 0.918 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2csc(COC)n2)CC1 ZINC001539460133 1071595256 /nfs/dbraw/zinc/59/52/56/1071595256.db2.gz XKQSLUIQASZFIM-UHFFFAOYSA-N 1 2 429.550 0.807 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001539460191 1071595171 /nfs/dbraw/zinc/59/51/71/1071595171.db2.gz ZPHWLWLUUIQZAI-HSZRJFAPSA-N 1 2 433.516 0.962 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001539460192 1071595242 /nfs/dbraw/zinc/59/52/42/1071595242.db2.gz ZPHWLWLUUIQZAI-QHCPKHFHSA-N 1 2 433.516 0.962 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCNC(=O)C(C)(C)C)CC1 ZINC001539462970 1071595079 /nfs/dbraw/zinc/59/50/79/1071595079.db2.gz QIWRFOALLWPGTQ-ROUUACIJSA-N 1 2 432.569 0.920 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(COCC)n2CCNS(=O)(=O)c2ccccc2)CC1 ZINC001539463141 1071595630 /nfs/dbraw/zinc/59/56/30/1071595630.db2.gz VENXPZIEIWUKPB-UHFFFAOYSA-N 1 2 432.550 0.548 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(COCC)n2CCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC001539463378 1071595791 /nfs/dbraw/zinc/59/57/91/1071595791.db2.gz ZOKHLMIVUILJOI-UHFFFAOYSA-N 1 2 443.552 0.825 20 30 ICEDLO C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001539476928 1071597495 /nfs/dbraw/zinc/59/74/95/1071597495.db2.gz HPVNGIYKSDJZPZ-KRWDZBQOSA-N 1 2 437.504 0.647 20 30 ICEDLO C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001539476932 1071597543 /nfs/dbraw/zinc/59/75/43/1071597543.db2.gz HPVNGIYKSDJZPZ-QGZVFWFLSA-N 1 2 437.504 0.647 20 30 ICEDLO C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001539513449 1071601246 /nfs/dbraw/zinc/60/12/46/1071601246.db2.gz PBZCGSRNSCBQTH-UHFFFAOYSA-N 1 2 442.593 0.789 20 30 ICEDLO C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([NH+]2CCOCC2)CC1 ZINC001539538674 1071603432 /nfs/dbraw/zinc/60/34/32/1071603432.db2.gz LLTRABPZJOJXMV-QFBILLFUSA-N 1 2 436.582 0.745 20 30 ICEDLO C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([NH+]2CCOCC2)CC1 ZINC001539538675 1071603385 /nfs/dbraw/zinc/60/33/85/1071603385.db2.gz LLTRABPZJOJXMV-VQIMIIECSA-N 1 2 436.582 0.745 20 30 ICEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[N@H+](CC(=O)NCC)CC2)s1 ZINC001540532947 1071648562 /nfs/dbraw/zinc/64/85/62/1071648562.db2.gz GOXHZFAGWAURTQ-UHFFFAOYSA-N 1 2 428.580 0.425 20 30 ICEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[N@@H+](CC(=O)NCC)CC2)s1 ZINC001540532947 1071648558 /nfs/dbraw/zinc/64/85/58/1071648558.db2.gz GOXHZFAGWAURTQ-UHFFFAOYSA-N 1 2 428.580 0.425 20 30 ICEDLO N#Cc1ccc(NCC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)nc1 ZINC001540833548 1071682121 /nfs/dbraw/zinc/68/21/21/1071682121.db2.gz RJQMSUPDJMPDCI-UHFFFAOYSA-N 1 2 429.506 0.028 20 30 ICEDLO C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001540869954 1071692158 /nfs/dbraw/zinc/69/21/58/1071692158.db2.gz BBTCXLYHWMOXFW-KRWDZBQOSA-N 1 2 426.525 0.899 20 30 ICEDLO C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001540869955 1071692314 /nfs/dbraw/zinc/69/23/14/1071692314.db2.gz BBTCXLYHWMOXFW-QGZVFWFLSA-N 1 2 426.525 0.899 20 30 ICEDLO C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001540906946 1071703726 /nfs/dbraw/zinc/70/37/26/1071703726.db2.gz HIUMSJBECMORTA-UHFFFAOYSA-N 1 2 438.598 0.779 20 30 ICEDLO C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001540907529 1071703675 /nfs/dbraw/zinc/70/36/75/1071703675.db2.gz ZLACYQGMXJDZTP-KRWDZBQOSA-N 1 2 436.582 0.676 20 30 ICEDLO C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001540907529 1071703668 /nfs/dbraw/zinc/70/36/68/1071703668.db2.gz ZLACYQGMXJDZTP-KRWDZBQOSA-N 1 2 436.582 0.676 20 30 ICEDLO C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001540907530 1071703634 /nfs/dbraw/zinc/70/36/34/1071703634.db2.gz ZLACYQGMXJDZTP-QGZVFWFLSA-N 1 2 436.582 0.676 20 30 ICEDLO C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001540907530 1071703625 /nfs/dbraw/zinc/70/36/25/1071703625.db2.gz ZLACYQGMXJDZTP-QGZVFWFLSA-N 1 2 436.582 0.676 20 30 ICEDLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N(CCC#N)CC2CC2)CC1 ZINC001541005361 1071723649 /nfs/dbraw/zinc/72/36/49/1071723649.db2.gz RMIXMXMTIMJNHB-GOSISDBHSA-N 1 2 428.541 0.523 20 30 ICEDLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N(CCC#N)CC2CC2)CC1 ZINC001541005364 1071723756 /nfs/dbraw/zinc/72/37/56/1071723756.db2.gz RMIXMXMTIMJNHB-SFHVURJKSA-N 1 2 428.541 0.523 20 30 ICEDLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001541006790 1071724319 /nfs/dbraw/zinc/72/43/19/1071724319.db2.gz QMIZWYCBGJOOAF-IBGZPJMESA-N 1 2 441.511 0.901 20 30 ICEDLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001541006791 1071724182 /nfs/dbraw/zinc/72/41/82/1071724182.db2.gz QMIZWYCBGJOOAF-LJQANCHMSA-N 1 2 441.511 0.901 20 30 ICEDLO CC(=O)N1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N(CCC#N)CC2CC2)CC1 ZINC001541006981 1071724782 /nfs/dbraw/zinc/72/47/82/1071724782.db2.gz IEXIJGAJUHMXRW-UHFFFAOYSA-N 1 2 442.568 0.695 20 30 ICEDLO CC(=O)N1CC[NH+](CCn2c(CCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001541007127 1071724711 /nfs/dbraw/zinc/72/47/11/1071724711.db2.gz JITWODIWWASXTP-NRFANRHFSA-N 1 2 437.548 0.956 20 30 ICEDLO CC(=O)N1CC[NH+](CCn2c(CCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001541007131 1071724932 /nfs/dbraw/zinc/72/49/32/1071724932.db2.gz JITWODIWWASXTP-OAQYLSRUSA-N 1 2 437.548 0.956 20 30 ICEDLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCOCC2)CC1 ZINC001541007313 1071724906 /nfs/dbraw/zinc/72/49/06/1071724906.db2.gz LYACSZCIOUAOSO-UHFFFAOYSA-N 1 2 439.520 0.729 20 30 ICEDLO C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC001541864761 1071901394 /nfs/dbraw/zinc/90/13/94/1071901394.db2.gz BWYLPJGJOFGGCM-AEFFLSMTSA-N 1 2 439.520 0.761 20 30 ICEDLO C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC001541864762 1071901417 /nfs/dbraw/zinc/90/14/17/1071901417.db2.gz BWYLPJGJOFGGCM-FUHWJXTLSA-N 1 2 439.520 0.761 20 30 ICEDLO C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC001541864763 1071901493 /nfs/dbraw/zinc/90/14/93/1071901493.db2.gz BWYLPJGJOFGGCM-SJLPKXTDSA-N 1 2 439.520 0.761 20 30 ICEDLO C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC001541864764 1071901560 /nfs/dbraw/zinc/90/15/60/1071901560.db2.gz BWYLPJGJOFGGCM-WMZOPIPTSA-N 1 2 439.520 0.761 20 30 ICEDLO C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)[NH+]1CCOCC1 ZINC001541865419 1071902065 /nfs/dbraw/zinc/90/20/65/1071902065.db2.gz OQGVPSWOAIZJCA-CVEARBPZSA-N 1 2 445.549 0.719 20 30 ICEDLO C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)[NH+]1CCOCC1 ZINC001541865420 1071901974 /nfs/dbraw/zinc/90/19/74/1071901974.db2.gz OQGVPSWOAIZJCA-HOTGVXAUSA-N 1 2 445.549 0.719 20 30 ICEDLO C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)[NH+]1CCOCC1 ZINC001541865421 1071902099 /nfs/dbraw/zinc/90/20/99/1071902099.db2.gz OQGVPSWOAIZJCA-HZPDHXFCSA-N 1 2 445.549 0.719 20 30 ICEDLO C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)[NH+]1CCOCC1 ZINC001541865422 1071902041 /nfs/dbraw/zinc/90/20/41/1071902041.db2.gz OQGVPSWOAIZJCA-JKSUJKDBSA-N 1 2 445.549 0.719 20 30 ICEDLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001541925481 1071923524 /nfs/dbraw/zinc/92/35/24/1071923524.db2.gz DEFGTDPVVOPGCP-CVEARBPZSA-N 1 2 439.586 0.739 20 30 ICEDLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001541925481 1071923519 /nfs/dbraw/zinc/92/35/19/1071923519.db2.gz DEFGTDPVVOPGCP-CVEARBPZSA-N 1 2 439.586 0.739 20 30 ICEDLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001541925482 1071923460 /nfs/dbraw/zinc/92/34/60/1071923460.db2.gz DEFGTDPVVOPGCP-HOTGVXAUSA-N 1 2 439.586 0.739 20 30 ICEDLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001541925482 1071923454 /nfs/dbraw/zinc/92/34/54/1071923454.db2.gz DEFGTDPVVOPGCP-HOTGVXAUSA-N 1 2 439.586 0.739 20 30 ICEDLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001541925483 1071923348 /nfs/dbraw/zinc/92/33/48/1071923348.db2.gz DEFGTDPVVOPGCP-HZPDHXFCSA-N 1 2 439.586 0.739 20 30 ICEDLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001541925483 1071923346 /nfs/dbraw/zinc/92/33/46/1071923346.db2.gz DEFGTDPVVOPGCP-HZPDHXFCSA-N 1 2 439.586 0.739 20 30 ICEDLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001541925484 1071923368 /nfs/dbraw/zinc/92/33/68/1071923368.db2.gz DEFGTDPVVOPGCP-JKSUJKDBSA-N 1 2 439.586 0.739 20 30 ICEDLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001541925484 1071923367 /nfs/dbraw/zinc/92/33/67/1071923367.db2.gz DEFGTDPVVOPGCP-JKSUJKDBSA-N 1 2 439.586 0.739 20 30 ICEDLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)[NH+]1CCOCC1 ZINC001541926741 1071924425 /nfs/dbraw/zinc/92/44/25/1071924425.db2.gz WYIATDHVAVHCRR-CVEARBPZSA-N 1 2 439.586 0.739 20 30 ICEDLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)[NH+]1CCOCC1 ZINC001541926742 1071924910 /nfs/dbraw/zinc/92/49/10/1071924910.db2.gz WYIATDHVAVHCRR-HOTGVXAUSA-N 1 2 439.586 0.739 20 30 ICEDLO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)[NH+]1CCOCC1 ZINC001541926743 1071924872 /nfs/dbraw/zinc/92/48/72/1071924872.db2.gz WYIATDHVAVHCRR-HZPDHXFCSA-N 1 2 439.586 0.739 20 30 ICEDLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001541926744 1071924848 /nfs/dbraw/zinc/92/48/48/1071924848.db2.gz WYIATDHVAVHCRR-JKSUJKDBSA-N 1 2 439.586 0.739 20 30 ICEDLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1)[NH+]1CCOCC1 ZINC001541934734 1071932381 /nfs/dbraw/zinc/93/23/81/1071932381.db2.gz DFISIWFGIXNGRV-BXWFABGCSA-N 1 2 439.586 0.739 20 30 ICEDLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1)[NH+]1CCOCC1 ZINC001541934735 1071932479 /nfs/dbraw/zinc/93/24/79/1071932479.db2.gz DFISIWFGIXNGRV-GJYPPUQNSA-N 1 2 439.586 0.739 20 30 ICEDLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1)[NH+]1CCOCC1 ZINC001541934736 1071932434 /nfs/dbraw/zinc/93/24/34/1071932434.db2.gz DFISIWFGIXNGRV-JTDSTZFVSA-N 1 2 439.586 0.739 20 30 ICEDLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1)[NH+]1CCOCC1 ZINC001541934737 1071932352 /nfs/dbraw/zinc/93/23/52/1071932352.db2.gz DFISIWFGIXNGRV-TXPKVOOTSA-N 1 2 439.586 0.739 20 30 ICEDLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001541946054 1071943166 /nfs/dbraw/zinc/94/31/66/1071943166.db2.gz PBWKILZSOGEMPK-DZGCQCFKSA-N 1 2 434.526 0.126 20 30 ICEDLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001541946055 1071943347 /nfs/dbraw/zinc/94/33/47/1071943347.db2.gz PBWKILZSOGEMPK-HIFRSBDPSA-N 1 2 434.526 0.126 20 30 ICEDLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001541946056 1071943819 /nfs/dbraw/zinc/94/38/19/1071943819.db2.gz PBWKILZSOGEMPK-UKRRQHHQSA-N 1 2 434.526 0.126 20 30 ICEDLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001541946057 1071943775 /nfs/dbraw/zinc/94/37/75/1071943775.db2.gz PBWKILZSOGEMPK-ZFWWWQNUSA-N 1 2 434.526 0.126 20 30 ICEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC001542893223 1072010107 /nfs/dbraw/zinc/01/01/07/1072010107.db2.gz NVNXUBCDTRBLHR-UHFFFAOYSA-N 1 2 434.294 0.928 20 30 ICEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC001542893223 1072010093 /nfs/dbraw/zinc/01/00/93/1072010093.db2.gz NVNXUBCDTRBLHR-UHFFFAOYSA-N 1 2 434.294 0.928 20 30 ICEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2c(NC(=O)OC(C)(C)C)cnn2C)CC1 ZINC001542894710 1072010000 /nfs/dbraw/zinc/01/00/00/1072010000.db2.gz JATIPMKFJHAUDI-UHFFFAOYSA-N 1 2 446.552 0.983 20 30 ICEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2c(NC(=O)OC(C)(C)C)cnn2C)CC1 ZINC001542894710 1072009992 /nfs/dbraw/zinc/00/99/92/1072009992.db2.gz JATIPMKFJHAUDI-UHFFFAOYSA-N 1 2 446.552 0.983 20 30 ICEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCOC3)CC1 ZINC001542894894 1072010346 /nfs/dbraw/zinc/01/03/46/1072010346.db2.gz QOQCDXOEJNBAAY-FDDCHVKYSA-N 1 2 448.564 0.544 20 30 ICEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCOC3)CC1 ZINC001542894894 1072010334 /nfs/dbraw/zinc/01/03/34/1072010334.db2.gz QOQCDXOEJNBAAY-FDDCHVKYSA-N 1 2 448.564 0.544 20 30 ICEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2=NO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001542895005 1072010198 /nfs/dbraw/zinc/01/01/98/1072010198.db2.gz WQKRLVXRESUSGG-JOCHJYFZSA-N 1 2 447.536 0.426 20 30 ICEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2=NO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001542895005 1072010183 /nfs/dbraw/zinc/01/01/83/1072010183.db2.gz WQKRLVXRESUSGG-JOCHJYFZSA-N 1 2 447.536 0.426 20 30 ICEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2=NO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001542895006 1072010275 /nfs/dbraw/zinc/01/02/75/1072010275.db2.gz WQKRLVXRESUSGG-QFIPXVFZSA-N 1 2 447.536 0.426 20 30 ICEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2=NO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001542895006 1072010266 /nfs/dbraw/zinc/01/02/66/1072010266.db2.gz WQKRLVXRESUSGG-QFIPXVFZSA-N 1 2 447.536 0.426 20 30 ICEDLO C#CCN(CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C(=O)OC(C)(C)C ZINC001544451277 1072117399 /nfs/dbraw/zinc/11/73/99/1072117399.db2.gz TXUCZBRGWYVDNZ-UHFFFAOYSA-N 1 2 444.536 0.832 20 30 ICEDLO C#CCN(CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC001544451277 1072117390 /nfs/dbraw/zinc/11/73/90/1072117390.db2.gz TXUCZBRGWYVDNZ-UHFFFAOYSA-N 1 2 444.536 0.832 20 30 ICEDLO CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001544477275 1072118958 /nfs/dbraw/zinc/11/89/58/1072118958.db2.gz SNMWPERDVIFLEP-DLBZAZTESA-N 1 2 437.541 0.623 20 30 ICEDLO CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001544477276 1072118997 /nfs/dbraw/zinc/11/89/97/1072118997.db2.gz SNMWPERDVIFLEP-IAGOWNOFSA-N 1 2 437.541 0.623 20 30 ICEDLO CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001544477277 1072118886 /nfs/dbraw/zinc/11/88/86/1072118886.db2.gz SNMWPERDVIFLEP-IRXDYDNUSA-N 1 2 437.541 0.623 20 30 ICEDLO CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001544477278 1072118949 /nfs/dbraw/zinc/11/89/49/1072118949.db2.gz SNMWPERDVIFLEP-SJORKVTESA-N 1 2 437.541 0.623 20 30 ICEDLO N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001544477310 1072118843 /nfs/dbraw/zinc/11/88/43/1072118843.db2.gz UQOSXLRHDMQPRQ-KRWDZBQOSA-N 1 2 435.322 0.913 20 30 ICEDLO N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001544477311 1072118927 /nfs/dbraw/zinc/11/89/27/1072118927.db2.gz UQOSXLRHDMQPRQ-QGZVFWFLSA-N 1 2 435.322 0.913 20 30 ICEDLO CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001546527596 1072213613 /nfs/dbraw/zinc/21/36/13/1072213613.db2.gz LBMFPSIVXGBEQD-INIZCTEOSA-N 1 2 427.557 0.801 20 30 ICEDLO CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001546527597 1072214129 /nfs/dbraw/zinc/21/41/29/1072214129.db2.gz LBMFPSIVXGBEQD-MRXNPFEDSA-N 1 2 427.557 0.801 20 30 ICEDLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O ZINC001554301767 1072538366 /nfs/dbraw/zinc/53/83/66/1072538366.db2.gz XWVCAGDZEOTGRZ-UHFFFAOYSA-N 1 2 447.565 0.524 20 30 ICEDLO CN(CC[NH+]1CCOCC1)c1nnc(CC2CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001554302399 1072539025 /nfs/dbraw/zinc/53/90/25/1072539025.db2.gz HSLQWINNNQVUAS-FMQUCBEESA-N 1 2 429.525 0.525 20 30 ICEDLO CN(CC[NH+]1CCOCC1)c1nnc(CC2CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001554302400 1072539227 /nfs/dbraw/zinc/53/92/27/1072539227.db2.gz HSLQWINNNQVUAS-VXPUYCOJSA-N 1 2 429.525 0.525 20 30 ICEDLO CN(CC[NH+]1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 ZINC001554302617 1072539256 /nfs/dbraw/zinc/53/92/56/1072539256.db2.gz MZFWAQBKTJACOE-HXUWFJFHSA-N 1 2 442.520 0.913 20 30 ICEDLO COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCOCC1(C)C ZINC001555555186 1072799417 /nfs/dbraw/zinc/79/94/17/1072799417.db2.gz MUFVOPXDJRERAW-UHFFFAOYSA-N 1 2 433.557 0.991 20 30 ICEDLO COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001555555186 1072799408 /nfs/dbraw/zinc/79/94/08/1072799408.db2.gz MUFVOPXDJRERAW-UHFFFAOYSA-N 1 2 433.557 0.991 20 30 ICEDLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001555729451 1072854507 /nfs/dbraw/zinc/85/45/07/1072854507.db2.gz UMJKVZOCLQOODZ-NEWSRXKRSA-N 1 2 433.557 0.905 20 30 ICEDLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001555729453 1072855198 /nfs/dbraw/zinc/85/51/98/1072855198.db2.gz UMJKVZOCLQOODZ-WDSOQIARSA-N 1 2 433.557 0.905 20 30 ICEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c3ccccc31)C2 ZINC001556538568 1072959382 /nfs/dbraw/zinc/95/93/82/1072959382.db2.gz ATGFRKHQSZMNJK-HIFRSBDPSA-N 1 2 445.545 0.675 20 30 ICEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c3ccccc31)C2 ZINC001556538569 1072959542 /nfs/dbraw/zinc/95/95/42/1072959542.db2.gz ATGFRKHQSZMNJK-ZFWWWQNUSA-N 1 2 445.545 0.675 20 30 ICEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC001556543342 1072960491 /nfs/dbraw/zinc/96/04/91/1072960491.db2.gz WMRPAWIADPFSBW-INIZCTEOSA-N 1 2 441.517 0.884 20 30 ICEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC001556543343 1072960440 /nfs/dbraw/zinc/96/04/40/1072960440.db2.gz WMRPAWIADPFSBW-MRXNPFEDSA-N 1 2 441.517 0.884 20 30 ICEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001556543451 1072960421 /nfs/dbraw/zinc/96/04/21/1072960421.db2.gz AXIFAZWXFAWLPH-HKUYNNGSSA-N 1 2 430.553 0.420 20 30 ICEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001556543452 1072960393 /nfs/dbraw/zinc/96/03/93/1072960393.db2.gz AXIFAZWXFAWLPH-IEBWSBKVSA-N 1 2 430.553 0.420 20 30 ICEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001556543453 1072960460 /nfs/dbraw/zinc/96/04/60/1072960460.db2.gz AXIFAZWXFAWLPH-MJGOQNOKSA-N 1 2 430.553 0.420 20 30 ICEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001556543454 1072960469 /nfs/dbraw/zinc/96/04/69/1072960469.db2.gz AXIFAZWXFAWLPH-PKOBYXMFSA-N 1 2 430.553 0.420 20 30 ICEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC001557398457 1073037897 /nfs/dbraw/zinc/03/78/97/1073037897.db2.gz AQWYERDATVBKJQ-FQEVSTJZSA-N 1 2 434.562 0.361 20 30 ICEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC001557398457 1073037890 /nfs/dbraw/zinc/03/78/90/1073037890.db2.gz AQWYERDATVBKJQ-FQEVSTJZSA-N 1 2 434.562 0.361 20 30 ICEDLO N#Cc1cccc(C2(NC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CCOCC2)c1 ZINC001557538247 1073055874 /nfs/dbraw/zinc/05/58/74/1073055874.db2.gz BQCOCEWECNBLKJ-IBGZPJMESA-N 1 2 426.517 0.861 20 30 ICEDLO N#Cc1cccc(C2(NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CCOCC2)c1 ZINC001557538248 1073056493 /nfs/dbraw/zinc/05/64/93/1073056493.db2.gz BQCOCEWECNBLKJ-LJQANCHMSA-N 1 2 426.517 0.861 20 30 ICEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC001557545728 1073058402 /nfs/dbraw/zinc/05/84/02/1073058402.db2.gz YTZZOOPYKMWKNB-FQEVSTJZSA-N 1 2 436.534 0.224 20 30 ICEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC001557545728 1073058393 /nfs/dbraw/zinc/05/83/93/1073058393.db2.gz YTZZOOPYKMWKNB-FQEVSTJZSA-N 1 2 436.534 0.224 20 30 ICEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC001557545729 1073058245 /nfs/dbraw/zinc/05/82/45/1073058245.db2.gz YTZZOOPYKMWKNB-HXUWFJFHSA-N 1 2 436.534 0.224 20 30 ICEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC001557545729 1073058241 /nfs/dbraw/zinc/05/82/41/1073058241.db2.gz YTZZOOPYKMWKNB-HXUWFJFHSA-N 1 2 436.534 0.224 20 30 ICEDLO C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)ccc1F ZINC001558323928 1073160919 /nfs/dbraw/zinc/16/09/19/1073160919.db2.gz BFBRLYFBLIBWKN-UHFFFAOYSA-N 1 2 426.514 0.526 20 30 ICEDLO C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)ccc1F ZINC001558323928 1073160915 /nfs/dbraw/zinc/16/09/15/1073160915.db2.gz BFBRLYFBLIBWKN-UHFFFAOYSA-N 1 2 426.514 0.526 20 30 ICEDLO N#Cc1ccc(N[C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)nc1 ZINC001558464830 1073176372 /nfs/dbraw/zinc/17/63/72/1073176372.db2.gz OWQHJTXAAVODQA-MOPGFXCFSA-N 1 2 426.521 0.537 20 30 ICEDLO N#Cc1ccc(N[C@H]2CCCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)nc1 ZINC001558464831 1073176449 /nfs/dbraw/zinc/17/64/49/1073176449.db2.gz OWQHJTXAAVODQA-OALUTQOASA-N 1 2 426.521 0.537 20 30 ICEDLO N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)nc1 ZINC001558464832 1073176487 /nfs/dbraw/zinc/17/64/87/1073176487.db2.gz OWQHJTXAAVODQA-RBUKOAKNSA-N 1 2 426.521 0.537 20 30 ICEDLO N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)nc1 ZINC001558464833 1073176391 /nfs/dbraw/zinc/17/63/91/1073176391.db2.gz OWQHJTXAAVODQA-RTBURBONSA-N 1 2 426.521 0.537 20 30 ICEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC001558969687 1073226709 /nfs/dbraw/zinc/22/67/09/1073226709.db2.gz OZFXOPSDERBMPK-INIZCTEOSA-N 1 2 447.517 0.840 20 30 ICEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC001558969688 1073227046 /nfs/dbraw/zinc/22/70/46/1073227046.db2.gz OZFXOPSDERBMPK-MRXNPFEDSA-N 1 2 447.517 0.840 20 30 ICEDLO N#CC1(C[C@H](O)C[NH+]2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CCOCC1 ZINC001559604010 1073241439 /nfs/dbraw/zinc/24/14/39/1073241439.db2.gz RSQBDWOPNNZOOR-INIZCTEOSA-N 1 2 433.534 0.941 20 30 ICEDLO N#CC1(C[C@@H](O)C[NH+]2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CCOCC1 ZINC001559604011 1073241272 /nfs/dbraw/zinc/24/12/72/1073241272.db2.gz RSQBDWOPNNZOOR-MRXNPFEDSA-N 1 2 433.534 0.941 20 30 ICEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCN(c3ccc(F)cc3C(N)=O)CC2)CC1 ZINC001560022812 1073267435 /nfs/dbraw/zinc/26/74/35/1073267435.db2.gz GQVADQCFAUYJRR-FQEVSTJZSA-N 1 2 430.528 0.739 20 30 ICEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCN(c3ccc(F)cc3C(N)=O)CC2)CC1 ZINC001560022813 1073267605 /nfs/dbraw/zinc/26/76/05/1073267605.db2.gz GQVADQCFAUYJRR-HXUWFJFHSA-N 1 2 430.528 0.739 20 30 ICEDLO CC(=O)NCC(=O)N1CCC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 ZINC001560056827 1073272097 /nfs/dbraw/zinc/27/20/97/1073272097.db2.gz WMTMMUCVVRRKFV-GOSISDBHSA-N 1 2 446.577 0.127 20 30 ICEDLO CC(=O)NCC(=O)N1CCC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 ZINC001560056827 1073272090 /nfs/dbraw/zinc/27/20/90/1073272090.db2.gz WMTMMUCVVRRKFV-GOSISDBHSA-N 1 2 446.577 0.127 20 30 ICEDLO CC(=O)NCC(=O)N1CCC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 ZINC001560056828 1073272309 /nfs/dbraw/zinc/27/23/09/1073272309.db2.gz WMTMMUCVVRRKFV-SFHVURJKSA-N 1 2 446.577 0.127 20 30 ICEDLO CC(=O)NCC(=O)N1CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 ZINC001560056828 1073272304 /nfs/dbraw/zinc/27/23/04/1073272304.db2.gz WMTMMUCVVRRKFV-SFHVURJKSA-N 1 2 446.577 0.127 20 30 ICEDLO Cc1cc(N2CCN(C(=O)CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2)nc(C(C)C)[nH+]1 ZINC001560168703 1073284651 /nfs/dbraw/zinc/28/46/51/1073284651.db2.gz RCOMDXXVTMQZNU-UWJYYQICSA-N 1 2 446.577 0.427 20 30 ICEDLO C#CCN1CCN(C(=O)C[NH2+][C@@H](CO)c2ccccc2I)CC1 ZINC001560211390 1073289464 /nfs/dbraw/zinc/28/94/64/1073289464.db2.gz GWTSVGNBXBQLCU-INIZCTEOSA-N 1 2 427.286 0.692 20 30 ICEDLO C#CCN1CCN(C(=O)C[NH2+][C@H](CO)c2ccccc2I)CC1 ZINC001560211391 1073289330 /nfs/dbraw/zinc/28/93/30/1073289330.db2.gz GWTSVGNBXBQLCU-MRXNPFEDSA-N 1 2 427.286 0.692 20 30 ICEDLO C=CCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC001561117287 1073304180 /nfs/dbraw/zinc/30/41/80/1073304180.db2.gz PEIPXXYEDROVOQ-UHFFFAOYSA-N 1 2 442.607 0.604 20 30 ICEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2c(OC)nn3cc(Br)cnc23)CC1 ZINC001561939948 1073404797 /nfs/dbraw/zinc/40/47/97/1073404797.db2.gz GSVBBQKHMUNSHW-UHFFFAOYSA-N 1 2 428.312 0.876 20 30 ICEDLO O=C(NCC#C[C@H]1CCCCO1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001563446320 1073488489 /nfs/dbraw/zinc/48/84/89/1073488489.db2.gz DQATXCFHUKMUGW-GOSISDBHSA-N 1 2 435.550 0.405 20 30 ICEDLO O=C(NCC#C[C@@H]1CCCCO1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001563446321 1073488571 /nfs/dbraw/zinc/48/85/71/1073488571.db2.gz DQATXCFHUKMUGW-SFHVURJKSA-N 1 2 435.550 0.405 20 30 ICEDLO C#C[C@H]1COCCN1C(=O)NCCc1ccc(OCC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001563909965 1073521540 /nfs/dbraw/zinc/52/15/40/1073521540.db2.gz JFJXYKRKBQZCKT-NRFANRHFSA-N 1 2 428.533 0.816 20 30 ICEDLO C#C[C@@H]1COCCN1C(=O)NCCc1ccc(OCC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001563909966 1073521480 /nfs/dbraw/zinc/52/14/80/1073521480.db2.gz JFJXYKRKBQZCKT-OAQYLSRUSA-N 1 2 428.533 0.816 20 30 ICEDLO N#CC1(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCOCC1 ZINC001563966724 1073527658 /nfs/dbraw/zinc/52/76/58/1073527658.db2.gz FWJIVDQQUHTSJW-KRWDZBQOSA-N 1 2 429.525 0.902 20 30 ICEDLO N#CC1(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCOCC1 ZINC001563966724 1073527642 /nfs/dbraw/zinc/52/76/42/1073527642.db2.gz FWJIVDQQUHTSJW-KRWDZBQOSA-N 1 2 429.525 0.902 20 30 ICEDLO N#CC1(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCOCC1 ZINC001563966725 1073527383 /nfs/dbraw/zinc/52/73/83/1073527383.db2.gz FWJIVDQQUHTSJW-QGZVFWFLSA-N 1 2 429.525 0.902 20 30 ICEDLO N#CC1(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCOCC1 ZINC001563966725 1073527376 /nfs/dbraw/zinc/52/73/76/1073527376.db2.gz FWJIVDQQUHTSJW-QGZVFWFLSA-N 1 2 429.525 0.902 20 30 ICEDLO CS(=O)(=O)Cc1nc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n[nH]1 ZINC001565402143 1071834169 /nfs/dbraw/zinc/83/41/69/1071834169.db2.gz NYTBYIUMPCPGQU-UHFFFAOYSA-N 1 2 431.522 0.638 20 30 ICEDLO CS(=O)(=O)Cc1nc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n[nH]1 ZINC001565402143 1071834166 /nfs/dbraw/zinc/83/41/66/1071834166.db2.gz NYTBYIUMPCPGQU-UHFFFAOYSA-N 1 2 431.522 0.638 20 30 ICEDLO CS(=O)(=O)Cc1n[nH]c(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC001565402143 1071834163 /nfs/dbraw/zinc/83/41/63/1071834163.db2.gz NYTBYIUMPCPGQU-UHFFFAOYSA-N 1 2 431.522 0.638 20 30 ICEDLO CS(=O)(=O)Cc1n[nH]c(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC001565402143 1071834158 /nfs/dbraw/zinc/83/41/58/1071834158.db2.gz NYTBYIUMPCPGQU-UHFFFAOYSA-N 1 2 431.522 0.638 20 30 ICEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(C)C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC001565589850 1071849933 /nfs/dbraw/zinc/84/99/33/1071849933.db2.gz BEMIPRIVUBRNGW-HTAPYJJXSA-N 1 2 436.553 0.733 20 30 ICEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@]2(C)C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC001565589850 1071849928 /nfs/dbraw/zinc/84/99/28/1071849928.db2.gz BEMIPRIVUBRNGW-HTAPYJJXSA-N 1 2 436.553 0.733 20 30 ICEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2(C)C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC001565589851 1071849682 /nfs/dbraw/zinc/84/96/82/1071849682.db2.gz BEMIPRIVUBRNGW-JTSKRJEESA-N 1 2 436.553 0.733 20 30 ICEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]2(C)C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC001565589851 1071849669 /nfs/dbraw/zinc/84/96/69/1071849669.db2.gz BEMIPRIVUBRNGW-JTSKRJEESA-N 1 2 436.553 0.733 20 30 ICEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(C)C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC001565589852 1071850697 /nfs/dbraw/zinc/85/06/97/1071850697.db2.gz BEMIPRIVUBRNGW-VGOFRKELSA-N 1 2 436.553 0.733 20 30 ICEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@]2(C)C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC001565589852 1071850691 /nfs/dbraw/zinc/85/06/91/1071850691.db2.gz BEMIPRIVUBRNGW-VGOFRKELSA-N 1 2 436.553 0.733 20 30 ICEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2(C)C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC001565589853 1071850544 /nfs/dbraw/zinc/85/05/44/1071850544.db2.gz BEMIPRIVUBRNGW-VGSWGCGISA-N 1 2 436.553 0.733 20 30 ICEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]2(C)C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC001565589853 1071850528 /nfs/dbraw/zinc/85/05/28/1071850528.db2.gz BEMIPRIVUBRNGW-VGSWGCGISA-N 1 2 436.553 0.733 20 30 ICEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CN2Cc3c(cnn3-c3ccccc3)C2=O)CC1 ZINC001565589910 1071850681 /nfs/dbraw/zinc/85/06/81/1071850681.db2.gz DTYXJEJONKIMCZ-UHFFFAOYSA-N 1 2 434.500 0.112 20 30 ICEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CN2Cc3c(cnn3-c3ccccc3)C2=O)CC1 ZINC001565589910 1071850678 /nfs/dbraw/zinc/85/06/78/1071850678.db2.gz DTYXJEJONKIMCZ-UHFFFAOYSA-N 1 2 434.500 0.112 20 30 ICEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC1 ZINC001565589983 1071850666 /nfs/dbraw/zinc/85/06/66/1071850666.db2.gz HVYHTDVVMZTXIF-UHFFFAOYSA-N 1 2 425.449 0.132 20 30 ICEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC1 ZINC001565589983 1071850662 /nfs/dbraw/zinc/85/06/62/1071850662.db2.gz HVYHTDVVMZTXIF-UHFFFAOYSA-N 1 2 425.449 0.132 20 30 ICEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)CC1 ZINC001565590191 1071850610 /nfs/dbraw/zinc/85/06/10/1071850610.db2.gz QNPSDIFKBTWDGM-UHFFFAOYSA-N 1 2 427.427 0.258 20 30 ICEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)CC1 ZINC001565590191 1071850600 /nfs/dbraw/zinc/85/06/00/1071850600.db2.gz QNPSDIFKBTWDGM-UHFFFAOYSA-N 1 2 427.427 0.258 20 30 ICEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)CC1 ZINC001565590310 1071850481 /nfs/dbraw/zinc/85/04/81/1071850481.db2.gz WOEAOSCXJOIMLL-MRXNPFEDSA-N 1 2 438.525 0.117 20 30 ICEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)CC1 ZINC001565590310 1071850456 /nfs/dbraw/zinc/85/04/56/1071850456.db2.gz WOEAOSCXJOIMLL-MRXNPFEDSA-N 1 2 438.525 0.117 20 30 ICEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2csc(S[C@@H](CC)C(N)=O)n2)CC1 ZINC001565590315 1071850648 /nfs/dbraw/zinc/85/06/48/1071850648.db2.gz WRMHVTFIOKJKLB-HNNXBMFYSA-N 1 2 437.591 0.325 20 30 ICEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2csc(S[C@@H](CC)C(N)=O)n2)CC1 ZINC001565590315 1071850646 /nfs/dbraw/zinc/85/06/46/1071850646.db2.gz WRMHVTFIOKJKLB-HNNXBMFYSA-N 1 2 437.591 0.325 20 30 ICEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2csc(S[C@H](CC)C(N)=O)n2)CC1 ZINC001565590316 1071850735 /nfs/dbraw/zinc/85/07/35/1071850735.db2.gz WRMHVTFIOKJKLB-OAHLLOKOSA-N 1 2 437.591 0.325 20 30 ICEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2csc(S[C@H](CC)C(N)=O)n2)CC1 ZINC001565590316 1071850730 /nfs/dbraw/zinc/85/07/30/1071850730.db2.gz WRMHVTFIOKJKLB-OAHLLOKOSA-N 1 2 437.591 0.325 20 30 ICEDLO N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001565963079 1073392740 /nfs/dbraw/zinc/39/27/40/1073392740.db2.gz BKTAKWUJDXXMGB-GOSISDBHSA-N 1 2 427.505 0.716 20 30 ICEDLO N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001565963080 1073393177 /nfs/dbraw/zinc/39/31/77/1073393177.db2.gz BKTAKWUJDXXMGB-SFHVURJKSA-N 1 2 427.505 0.716 20 30 ICEDLO CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001565963597 1071880007 /nfs/dbraw/zinc/88/00/07/1071880007.db2.gz SVAHGQJQNMKLNH-IBGZPJMESA-N 1 2 448.564 0.686 20 30 ICEDLO CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001565963598 1071880308 /nfs/dbraw/zinc/88/03/08/1071880308.db2.gz SVAHGQJQNMKLNH-LJQANCHMSA-N 1 2 448.564 0.686 20 30 ICEDLO CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC001565963633 1071880263 /nfs/dbraw/zinc/88/02/63/1071880263.db2.gz UTDGJRVABDXXLM-GOSISDBHSA-N 1 2 433.530 0.147 20 30 ICEDLO CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC001565963634 1071880248 /nfs/dbraw/zinc/88/02/48/1071880248.db2.gz UTDGJRVABDXXLM-SFHVURJKSA-N 1 2 433.530 0.147 20 30 ICEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC001566235359 1071895249 /nfs/dbraw/zinc/89/52/49/1071895249.db2.gz QMASIDAKGJJLOA-KRWDZBQOSA-N 1 2 437.338 0.908 20 30 ICEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC001566235360 1071895027 /nfs/dbraw/zinc/89/50/27/1071895027.db2.gz QMASIDAKGJJLOA-QGZVFWFLSA-N 1 2 437.338 0.908 20 30 ICEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C2 ZINC001568812669 1071956957 /nfs/dbraw/zinc/95/69/57/1071956957.db2.gz GIUQCVYPXVFRJE-BBRMVZONSA-N 1 2 431.518 0.396 20 30 ICEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C2 ZINC001568812671 1071956830 /nfs/dbraw/zinc/95/68/30/1071956830.db2.gz GIUQCVYPXVFRJE-CJNGLKHVSA-N 1 2 431.518 0.396 20 30 ICEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C2 ZINC001568812673 1071957027 /nfs/dbraw/zinc/95/70/27/1071957027.db2.gz GIUQCVYPXVFRJE-CZUORRHYSA-N 1 2 431.518 0.396 20 30 ICEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C2 ZINC001568812793 1071956976 /nfs/dbraw/zinc/95/69/76/1071956976.db2.gz GIUQCVYPXVFRJE-XJKSGUPXSA-N 1 2 431.518 0.396 20 30 ICEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCc3c([nH+]c(C)n3CCO)C2)s1 ZINC001568813241 1071956875 /nfs/dbraw/zinc/95/68/75/1071956875.db2.gz MWIJRXHILMTZDX-AWEZNQCLSA-N 1 2 438.575 0.926 20 30 ICEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCc3c([nH+]c(C)n3CCO)C2)s1 ZINC001568813242 1071956914 /nfs/dbraw/zinc/95/69/14/1071956914.db2.gz MWIJRXHILMTZDX-CQSZACIVSA-N 1 2 438.575 0.926 20 30 ICEDLO C=CCCn1cc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)nn1 ZINC001568832604 1071957992 /nfs/dbraw/zinc/95/79/92/1071957992.db2.gz CMHMYYBJBJPFNM-INIZCTEOSA-N 1 2 426.525 0.431 20 30 ICEDLO C=CCCn1cc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)nn1 ZINC001568832606 1071958034 /nfs/dbraw/zinc/95/80/34/1071958034.db2.gz CMHMYYBJBJPFNM-MRXNPFEDSA-N 1 2 426.525 0.431 20 30 ICEDLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CC2(C#N)CCOCC2)CC3)CC1 ZINC001568833210 1071958069 /nfs/dbraw/zinc/95/80/69/1071958069.db2.gz JPACAVJGNZQCQT-KRWDZBQOSA-N 1 2 428.537 0.660 20 30 ICEDLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CC2(C#N)CCOCC2)CC3)CC1 ZINC001568833311 1071957957 /nfs/dbraw/zinc/95/79/57/1071957957.db2.gz JPACAVJGNZQCQT-QGZVFWFLSA-N 1 2 428.537 0.660 20 30 ICEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(C)C[C@H](OC)CN2C(=O)OC(C)(C)C)CC1 ZINC001584999883 1072125444 /nfs/dbraw/zinc/12/54/44/1072125444.db2.gz CWTJCEHMAZRFBG-HTAPYJJXSA-N 1 2 436.553 0.685 20 30 ICEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@]2(C)C[C@H](OC)CN2C(=O)OC(C)(C)C)CC1 ZINC001584999883 1072125440 /nfs/dbraw/zinc/12/54/40/1072125440.db2.gz CWTJCEHMAZRFBG-HTAPYJJXSA-N 1 2 436.553 0.685 20 30 ICEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2(C)C[C@H](OC)CN2C(=O)OC(C)(C)C)CC1 ZINC001584999884 1072125928 /nfs/dbraw/zinc/12/59/28/1072125928.db2.gz CWTJCEHMAZRFBG-JTSKRJEESA-N 1 2 436.553 0.685 20 30 ICEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]2(C)C[C@H](OC)CN2C(=O)OC(C)(C)C)CC1 ZINC001584999884 1072125926 /nfs/dbraw/zinc/12/59/26/1072125926.db2.gz CWTJCEHMAZRFBG-JTSKRJEESA-N 1 2 436.553 0.685 20 30 ICEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(C)C[C@@H](OC)CN2C(=O)OC(C)(C)C)CC1 ZINC001584999885 1072125825 /nfs/dbraw/zinc/12/58/25/1072125825.db2.gz CWTJCEHMAZRFBG-VGOFRKELSA-N 1 2 436.553 0.685 20 30 ICEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@]2(C)C[C@@H](OC)CN2C(=O)OC(C)(C)C)CC1 ZINC001584999885 1072125818 /nfs/dbraw/zinc/12/58/18/1072125818.db2.gz CWTJCEHMAZRFBG-VGOFRKELSA-N 1 2 436.553 0.685 20 30 ICEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2(C)C[C@@H](OC)CN2C(=O)OC(C)(C)C)CC1 ZINC001584999886 1072125911 /nfs/dbraw/zinc/12/59/11/1072125911.db2.gz CWTJCEHMAZRFBG-VGSWGCGISA-N 1 2 436.553 0.685 20 30 ICEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]2(C)C[C@@H](OC)CN2C(=O)OC(C)(C)C)CC1 ZINC001584999886 1072125908 /nfs/dbraw/zinc/12/59/08/1072125908.db2.gz CWTJCEHMAZRFBG-VGSWGCGISA-N 1 2 436.553 0.685 20 30 ICEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(NCCN3CCOCC3)c(F)c2)CC1 ZINC001584999969 1072125960 /nfs/dbraw/zinc/12/59/60/1072125960.db2.gz HNZGPYONZMUWST-UHFFFAOYSA-N 1 2 445.539 0.467 20 30 ICEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(NCCN3CCOCC3)c(F)c2)CC1 ZINC001584999969 1072125958 /nfs/dbraw/zinc/12/59/58/1072125958.db2.gz HNZGPYONZMUWST-UHFFFAOYSA-N 1 2 445.539 0.467 20 30 ICEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001585000309 1072125805 /nfs/dbraw/zinc/12/58/05/1072125805.db2.gz WRMQINYCWSYACF-UHFFFAOYSA-N 1 2 430.549 0.921 20 30 ICEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001585000309 1072125803 /nfs/dbraw/zinc/12/58/03/1072125803.db2.gz WRMQINYCWSYACF-UHFFFAOYSA-N 1 2 430.549 0.921 20 30 ICEDLO C[C@H](CC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001586249632 1072197859 /nfs/dbraw/zinc/19/78/59/1072197859.db2.gz ZXTILGNOGWSJBR-CVEARBPZSA-N 1 2 436.534 0.063 20 30 ICEDLO C[C@H](CC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001586249633 1072198019 /nfs/dbraw/zinc/19/80/19/1072198019.db2.gz ZXTILGNOGWSJBR-HZPDHXFCSA-N 1 2 436.534 0.063 20 30 ICEDLO N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH2+][C@H](c4cn[nH]c4)C3)CC2)cc1 ZINC001586685643 1072226323 /nfs/dbraw/zinc/22/63/23/1072226323.db2.gz FNTALGQTUJWLQZ-IBGZPJMESA-N 1 2 428.518 0.855 20 30 ICEDLO N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH2+][C@@H](c4cn[nH]c4)C3)CC2)cc1 ZINC001586685644 1072226306 /nfs/dbraw/zinc/22/63/06/1072226306.db2.gz FNTALGQTUJWLQZ-LJQANCHMSA-N 1 2 428.518 0.855 20 30 ICEDLO C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001587562013 1072275583 /nfs/dbraw/zinc/27/55/83/1072275583.db2.gz JXKUNGLYDDHFFE-CVEARBPZSA-N 1 2 447.565 0.626 20 30 ICEDLO C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001587562014 1072276384 /nfs/dbraw/zinc/27/63/84/1072276384.db2.gz JXKUNGLYDDHFFE-HOTGVXAUSA-N 1 2 447.565 0.626 20 30 ICEDLO C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001587562015 1072276018 /nfs/dbraw/zinc/27/60/18/1072276018.db2.gz JXKUNGLYDDHFFE-HZPDHXFCSA-N 1 2 447.565 0.626 20 30 ICEDLO C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001587562016 1072276125 /nfs/dbraw/zinc/27/61/25/1072276125.db2.gz JXKUNGLYDDHFFE-JKSUJKDBSA-N 1 2 447.565 0.626 20 30 ICEDLO C#CCCCn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001587803868 1072289211 /nfs/dbraw/zinc/28/92/11/1072289211.db2.gz OUFQBGDLMKTAJE-GOSISDBHSA-N 1 2 429.569 0.963 20 30 ICEDLO C#CCCCn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001587803869 1072289389 /nfs/dbraw/zinc/28/93/89/1072289389.db2.gz OUFQBGDLMKTAJE-SFHVURJKSA-N 1 2 429.569 0.963 20 30 ICEDLO C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001587804028 1072289279 /nfs/dbraw/zinc/28/92/79/1072289279.db2.gz RUOMUWXOENLXGR-UHFFFAOYSA-N 1 2 436.524 0.833 20 30 ICEDLO C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001588024843 1072303791 /nfs/dbraw/zinc/30/37/91/1072303791.db2.gz NSPDQADKZNBRBD-KRWDZBQOSA-N 1 2 434.566 0.237 20 30 ICEDLO C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001588024844 1072303781 /nfs/dbraw/zinc/30/37/81/1072303781.db2.gz NSPDQADKZNBRBD-QGZVFWFLSA-N 1 2 434.566 0.237 20 30 ICEDLO O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[NH+](CCc2cnccn2)CC1 ZINC001588071636 1072313843 /nfs/dbraw/zinc/31/38/43/1072313843.db2.gz KMWZJTRNWVBJJD-UHFFFAOYSA-N 1 2 428.518 0.292 20 30 ICEDLO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001588071685 1072313988 /nfs/dbraw/zinc/31/39/88/1072313988.db2.gz LRPFRDHZHPTIQW-INIZCTEOSA-N 1 2 428.518 0.402 20 30 ICEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001588071686 1072314036 /nfs/dbraw/zinc/31/40/36/1072314036.db2.gz LRPFRDHZHPTIQW-MRXNPFEDSA-N 1 2 428.518 0.402 20 30 ICEDLO C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001588074100 1072315086 /nfs/dbraw/zinc/31/50/86/1072315086.db2.gz IXABNGJWUZJDSB-JOCHJYFZSA-N 1 2 442.589 0.795 20 30 ICEDLO C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001588074101 1072315041 /nfs/dbraw/zinc/31/50/41/1072315041.db2.gz IXABNGJWUZJDSB-QFIPXVFZSA-N 1 2 442.589 0.795 20 30 ICEDLO C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001588128095 1072320302 /nfs/dbraw/zinc/32/03/02/1072320302.db2.gz CGRHRFQAJUJXMZ-UHFFFAOYSA-N 1 2 437.504 0.243 20 30 ICEDLO C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001588647807 1072335166 /nfs/dbraw/zinc/33/51/66/1072335166.db2.gz YTFWBDHVGGOMON-KRWDZBQOSA-N 1 2 432.550 0.776 20 30 ICEDLO C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001588647808 1072335323 /nfs/dbraw/zinc/33/53/23/1072335323.db2.gz YTFWBDHVGGOMON-QGZVFWFLSA-N 1 2 432.550 0.776 20 30 ICEDLO C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001588660084 1072335298 /nfs/dbraw/zinc/33/52/98/1072335298.db2.gz QEOMVUQNUSDQFB-UHFFFAOYSA-N 1 2 425.537 0.514 20 30 ICEDLO C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001588673229 1072335837 /nfs/dbraw/zinc/33/58/37/1072335837.db2.gz NKHBRKYQPAYUNI-UHFFFAOYSA-N 1 2 442.568 0.390 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)N(C)Cc2ccccc2)CC1 ZINC001588723754 1072336375 /nfs/dbraw/zinc/33/63/75/1072336375.db2.gz PGOFXCCDUYPRQS-UHFFFAOYSA-N 1 2 449.559 0.928 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCCc2ccccc2)CC1 ZINC001588724425 1072336260 /nfs/dbraw/zinc/33/62/60/1072336260.db2.gz ZNJFJDSSFLWENB-UHFFFAOYSA-N 1 2 449.559 0.628 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2cccs2)CC1 ZINC001588732444 1072336347 /nfs/dbraw/zinc/33/63/47/1072336347.db2.gz AMPMSCMFHTVXAT-UHFFFAOYSA-N 1 2 441.561 0.761 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(CC)CC)n2CCNC(=O)c2ccco2)CC1 ZINC001588732479 1072336203 /nfs/dbraw/zinc/33/62/03/1072336203.db2.gz BGRIEGJVIHGJTL-UHFFFAOYSA-N 1 2 441.536 0.975 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCc2ccco2)CC1 ZINC001588732601 1072336412 /nfs/dbraw/zinc/33/64/12/1072336412.db2.gz DIMPYXNNUFHCEU-UHFFFAOYSA-N 1 2 448.487 0.590 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)CC1 ZINC001588732612 1072336440 /nfs/dbraw/zinc/33/64/40/1072336440.db2.gz DXVLOZNOABOTLG-AVRDEDQJSA-N 1 2 430.553 0.900 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[C@@]3(CCOC3)O2)CC1 ZINC001588732613 1072336173 /nfs/dbraw/zinc/33/61/73/1072336173.db2.gz DXVLOZNOABOTLG-GCJKJVERSA-N 1 2 430.553 0.900 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[C@]3(CCOC3)O2)CC1 ZINC001588732614 1072336327 /nfs/dbraw/zinc/33/63/27/1072336327.db2.gz DXVLOZNOABOTLG-PGRDOPGGSA-N 1 2 430.553 0.900 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[C@]3(CCOC3)O2)CC1 ZINC001588732615 1072336393 /nfs/dbraw/zinc/33/63/93/1072336393.db2.gz DXVLOZNOABOTLG-XMSQKQJNSA-N 1 2 430.553 0.900 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(OCCOC)CCOCC2)CC1 ZINC001588732946 1072336976 /nfs/dbraw/zinc/33/69/76/1072336976.db2.gz IYALNCZJGRYIDS-UHFFFAOYSA-N 1 2 448.568 0.384 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H]2COCCO2)CC1 ZINC001588732949 1072336838 /nfs/dbraw/zinc/33/68/38/1072336838.db2.gz IZHIGFWIJVGTLQ-KRWDZBQOSA-N 1 2 425.493 0.486 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H]2COCCO2)CC1 ZINC001588732951 1072337075 /nfs/dbraw/zinc/33/70/75/1072337075.db2.gz IZHIGFWIJVGTLQ-QGZVFWFLSA-N 1 2 425.493 0.486 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nnc3n2CCCCC3)CC1 ZINC001588733190 1072337064 /nfs/dbraw/zinc/33/70/64/1072337064.db2.gz OXRNXTQSVXUHOT-UHFFFAOYSA-N 1 2 425.541 0.538 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C(N)=O)cc2)CC1 ZINC001588733391 1072336740 /nfs/dbraw/zinc/33/67/40/1072336740.db2.gz RIWHTFYJXDTTBG-UHFFFAOYSA-N 1 2 444.499 0.828 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(=O)NCc2ccco2)CC1 ZINC001588733406 1072337051 /nfs/dbraw/zinc/33/70/51/1072337051.db2.gz RLMIHQNWNBSJAY-UHFFFAOYSA-N 1 2 441.536 0.861 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CCNS(=O)(=O)Cc2ccon2)CC1 ZINC001588741731 1072336810 /nfs/dbraw/zinc/33/68/10/1072336810.db2.gz HQNGPBZCIMORGL-UHFFFAOYSA-N 1 2 435.554 0.438 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCn2nc(C)cc2C)CC1 ZINC001588742713 1072337773 /nfs/dbraw/zinc/33/77/73/1072337773.db2.gz ULOPNCCGFLJSPJ-GOSISDBHSA-N 1 2 448.597 0.547 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCn2nc(C)cc2C)CC1 ZINC001588742718 1072337474 /nfs/dbraw/zinc/33/74/74/1072337474.db2.gz ULOPNCCGFLJSPJ-SFHVURJKSA-N 1 2 448.597 0.547 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)COCC)CC1 ZINC001588742820 1072337544 /nfs/dbraw/zinc/33/75/44/1072337544.db2.gz VMHJYERCEXWJNY-INIZCTEOSA-N 1 2 426.587 0.706 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)COCC)CC1 ZINC001588742862 1072337667 /nfs/dbraw/zinc/33/76/67/1072337667.db2.gz VMHJYERCEXWJNY-MRXNPFEDSA-N 1 2 426.587 0.706 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)COC3)CC1 ZINC001588742990 1072337439 /nfs/dbraw/zinc/33/74/39/1072337439.db2.gz WJAJIBCGZPABQP-INIZCTEOSA-N 1 2 444.561 0.722 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)COC3)CC1 ZINC001588742992 1072337587 /nfs/dbraw/zinc/33/75/87/1072337587.db2.gz WJAJIBCGZPABQP-MRXNPFEDSA-N 1 2 444.561 0.722 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CCS(=O)(=O)N2CCSCC2)CC1 ZINC001588742994 1072337378 /nfs/dbraw/zinc/33/73/78/1072337378.db2.gz WJQACTGUVKDMBF-UHFFFAOYSA-N 1 2 440.639 0.709 20 30 ICEDLO C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c[nH+]ccc2OC)CC1 ZINC001588743198 1072337731 /nfs/dbraw/zinc/33/77/31/1072337731.db2.gz YNKSBJBMCITSHZ-HNNXBMFYSA-N 1 2 433.538 0.095 20 30 ICEDLO C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c[nH+]ccc2OC)CC1 ZINC001588743201 1072337568 /nfs/dbraw/zinc/33/75/68/1072337568.db2.gz YNKSBJBMCITSHZ-OAHLLOKOSA-N 1 2 433.538 0.095 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@@H]2COCCO2)CC1 ZINC001588750378 1072337649 /nfs/dbraw/zinc/33/76/49/1072337649.db2.gz CSSOOLDQVGDNPQ-DENIHFKCSA-N 1 2 433.553 0.879 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@@H]2COCCO2)CC1 ZINC001588750381 1072337690 /nfs/dbraw/zinc/33/76/90/1072337690.db2.gz CSSOOLDQVGDNPQ-KNQAVFIVSA-N 1 2 433.553 0.879 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@H]2COCCO2)CC1 ZINC001588750384 1072337366 /nfs/dbraw/zinc/33/73/66/1072337366.db2.gz CSSOOLDQVGDNPQ-SIKLNZKXSA-N 1 2 433.553 0.879 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@H]2COCCO2)CC1 ZINC001588750387 1072337423 /nfs/dbraw/zinc/33/74/23/1072337423.db2.gz CSSOOLDQVGDNPQ-UGKGYDQZSA-N 1 2 433.553 0.879 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNC(=O)C2CC2)CC1 ZINC001588751399 1072338226 /nfs/dbraw/zinc/33/82/26/1072338226.db2.gz KHSCLBOHXWYMOV-JOCHJYFZSA-N 1 2 430.553 0.600 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNC(=O)C2CC2)CC1 ZINC001588751401 1072338243 /nfs/dbraw/zinc/33/82/43/1072338243.db2.gz KHSCLBOHXWYMOV-QFIPXVFZSA-N 1 2 430.553 0.600 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCNC(=O)c2ccco2)CC1 ZINC001588751806 1072338175 /nfs/dbraw/zinc/33/81/75/1072338175.db2.gz NJWLCQJGKUKTRG-JOCHJYFZSA-N 1 2 442.520 0.708 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCNC(=O)c2ccco2)CC1 ZINC001588751808 1072338061 /nfs/dbraw/zinc/33/80/61/1072338061.db2.gz NJWLCQJGKUKTRG-QFIPXVFZSA-N 1 2 442.520 0.708 20 30 ICEDLO C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001588751877 1072338358 /nfs/dbraw/zinc/33/83/58/1072338358.db2.gz ORLTWMHRBRSFDO-NFBKMPQASA-N 1 2 446.596 0.795 20 30 ICEDLO C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001588751877 1072338347 /nfs/dbraw/zinc/33/83/47/1072338347.db2.gz ORLTWMHRBRSFDO-NFBKMPQASA-N 1 2 446.596 0.795 20 30 ICEDLO C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001588751879 1072338192 /nfs/dbraw/zinc/33/81/92/1072338192.db2.gz ORLTWMHRBRSFDO-NZQKXSOJSA-N 1 2 446.596 0.795 20 30 ICEDLO C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001588751879 1072338185 /nfs/dbraw/zinc/33/81/85/1072338185.db2.gz ORLTWMHRBRSFDO-NZQKXSOJSA-N 1 2 446.596 0.795 20 30 ICEDLO C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001588751880 1072338314 /nfs/dbraw/zinc/33/83/14/1072338314.db2.gz ORLTWMHRBRSFDO-OFNKIYASSA-N 1 2 446.596 0.795 20 30 ICEDLO C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001588751880 1072338306 /nfs/dbraw/zinc/33/83/06/1072338306.db2.gz ORLTWMHRBRSFDO-OFNKIYASSA-N 1 2 446.596 0.795 20 30 ICEDLO C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001588751882 1072338095 /nfs/dbraw/zinc/33/80/95/1072338095.db2.gz ORLTWMHRBRSFDO-REWPJTCUSA-N 1 2 446.596 0.795 20 30 ICEDLO C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001588751882 1072338090 /nfs/dbraw/zinc/33/80/90/1072338090.db2.gz ORLTWMHRBRSFDO-REWPJTCUSA-N 1 2 446.596 0.795 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCSC2)CC1 ZINC001588752004 1072338210 /nfs/dbraw/zinc/33/82/10/1072338210.db2.gz PJLOMJRXZBEKSF-LEWJYISDSA-N 1 2 435.594 0.942 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCSC2)CC1 ZINC001588752006 1072338119 /nfs/dbraw/zinc/33/81/19/1072338119.db2.gz PJLOMJRXZBEKSF-NHCUHLMSSA-N 1 2 435.594 0.942 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCSC2)CC1 ZINC001588752008 1072338133 /nfs/dbraw/zinc/33/81/33/1072338133.db2.gz PJLOMJRXZBEKSF-RTWAWAEBSA-N 1 2 435.594 0.942 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCSC2)CC1 ZINC001588752011 1072338145 /nfs/dbraw/zinc/33/81/45/1072338145.db2.gz PJLOMJRXZBEKSF-SFTDATJTSA-N 1 2 435.594 0.942 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CCOC2)CC1 ZINC001588762249 1072338888 /nfs/dbraw/zinc/33/88/88/1072338888.db2.gz FYCVJNFHIYCLDX-NRFANRHFSA-N 1 2 445.545 0.255 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CCOC2)CC1 ZINC001588762253 1072338911 /nfs/dbraw/zinc/33/89/11/1072338911.db2.gz FYCVJNFHIYCLDX-OAQYLSRUSA-N 1 2 445.545 0.255 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ncn(C)n2)CC1 ZINC001588763025 1072338654 /nfs/dbraw/zinc/33/86/54/1072338654.db2.gz PXYBVIKMMMSGGZ-UHFFFAOYSA-N 1 2 444.341 0.978 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)NC(C)C)CC1 ZINC001588763117 1072338668 /nfs/dbraw/zinc/33/86/68/1072338668.db2.gz RSCDYPNGUDIYEF-UHFFFAOYSA-N 1 2 444.561 0.628 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001588763222 1072338792 /nfs/dbraw/zinc/33/87/92/1072338792.db2.gz SYIJPJDFGJIKFU-SFHVURJKSA-N 1 2 437.504 0.697 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC(=O)N(C)C)CC1 ZINC001588780024 1072340036 /nfs/dbraw/zinc/34/00/36/1072340036.db2.gz FNECZGZIRYIGRR-UHFFFAOYSA-N 1 2 434.508 0.154 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)N(C)CC)CC1 ZINC001588780249 1072339987 /nfs/dbraw/zinc/33/99/87/1072339987.db2.gz JXNBACMMSUMFEF-UHFFFAOYSA-N 1 2 434.508 0.154 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCNC(C)=O)CC1 ZINC001588780420 1072339849 /nfs/dbraw/zinc/33/98/49/1072339849.db2.gz PPBTWCRIMSBFPN-UHFFFAOYSA-N 1 2 434.508 0.202 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001588790945 1072339769 /nfs/dbraw/zinc/33/97/69/1072339769.db2.gz HZOMKLIYXSCPNP-UHFFFAOYSA-N 1 2 447.536 0.779 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CC1 ZINC001588791191 1072339946 /nfs/dbraw/zinc/33/99/46/1072339946.db2.gz OVSZLVCVXBDEKH-UHFFFAOYSA-N 1 2 442.545 0.633 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001588800199 1072339967 /nfs/dbraw/zinc/33/99/67/1072339967.db2.gz APJWRGRBAJIOCR-VZCXRCSSSA-N 1 2 432.488 0.622 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001588800200 1072339879 /nfs/dbraw/zinc/33/98/79/1072339879.db2.gz APJWRGRBAJIOCR-XUTLUUPISA-N 1 2 432.488 0.622 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccn3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001588800266 1072339827 /nfs/dbraw/zinc/33/98/27/1072339827.db2.gz BWLXZHWOCMWGHP-UHFFFAOYSA-N 1 2 430.534 0.035 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)NCCc2ccccc2)CC1 ZINC001588800313 1072339915 /nfs/dbraw/zinc/33/99/15/1072339915.db2.gz DCONUWDLGZMAFX-UHFFFAOYSA-N 1 2 432.532 0.793 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001588800411 1072340054 /nfs/dbraw/zinc/34/00/54/1072340054.db2.gz FIESXTGCHRSHMQ-KRWDZBQOSA-N 1 2 429.550 0.377 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001588800412 1072339897 /nfs/dbraw/zinc/33/98/97/1072339897.db2.gz FIESXTGCHRSHMQ-QGZVFWFLSA-N 1 2 429.550 0.377 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CCCn2cc(CO)nn2)CC1 ZINC001588800479 1072340339 /nfs/dbraw/zinc/34/03/39/1072340339.db2.gz IJTYZCKIBFNQON-UHFFFAOYSA-N 1 2 436.520 0.883 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccn3)n2CCCN(C)S(=O)(=O)CC)CC1 ZINC001588800912 1072340466 /nfs/dbraw/zinc/34/04/66/1072340466.db2.gz RHYWEHHQBNSBDM-UHFFFAOYSA-N 1 2 431.566 0.767 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CCOCCS(C)(=O)=O)CC1 ZINC001588800941 1072340584 /nfs/dbraw/zinc/34/05/84/1072340584.db2.gz RXUKUVZFLSCBGF-UHFFFAOYSA-N 1 2 447.561 0.770 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001588801110 1072340671 /nfs/dbraw/zinc/34/06/71/1072340671.db2.gz VJSZQIHUBAZWNU-UHFFFAOYSA-N 1 2 439.545 0.919 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)NC2CCCCC2)CC1 ZINC001588805879 1072340605 /nfs/dbraw/zinc/34/06/05/1072340605.db2.gz CRWGJNUSHIAEOH-GOSISDBHSA-N 1 2 427.553 0.823 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)NC2CCCCC2)CC1 ZINC001588805881 1072340390 /nfs/dbraw/zinc/34/03/90/1072340390.db2.gz CRWGJNUSHIAEOH-SFHVURJKSA-N 1 2 427.553 0.823 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](F)COC)CC1 ZINC001588805974 1072340617 /nfs/dbraw/zinc/34/06/17/1072340617.db2.gz DRZQBMYFQUOLBC-INIZCTEOSA-N 1 2 449.556 0.978 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](F)COC)CC1 ZINC001588805976 1072340313 /nfs/dbraw/zinc/34/03/13/1072340313.db2.gz DRZQBMYFQUOLBC-MRXNPFEDSA-N 1 2 449.556 0.978 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 ZINC001588806197 1072340512 /nfs/dbraw/zinc/34/05/12/1072340512.db2.gz JCTFVPSSACMVLE-FZYZMVIOSA-N 1 2 440.573 0.911 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 ZINC001588806198 1072340413 /nfs/dbraw/zinc/34/04/13/1072340413.db2.gz JCTFVPSSACMVLE-KKIUXKEOSA-N 1 2 440.573 0.911 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 ZINC001588806199 1072340640 /nfs/dbraw/zinc/34/06/40/1072340640.db2.gz JCTFVPSSACMVLE-QPHCHLROSA-N 1 2 440.573 0.911 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 ZINC001588806200 1072340565 /nfs/dbraw/zinc/34/05/65/1072340565.db2.gz JCTFVPSSACMVLE-RQZFFVEVSA-N 1 2 440.573 0.911 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)NC(C)C)CC1 ZINC001588806319 1072340491 /nfs/dbraw/zinc/34/04/91/1072340491.db2.gz MRSXKHGQCSWPFO-UHFFFAOYSA-N 1 2 431.566 0.732 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC(=O)NC(C)C)CC1 ZINC001588806332 1072340539 /nfs/dbraw/zinc/34/05/39/1072340539.db2.gz NCJRUXRFKDNMFM-UHFFFAOYSA-N 1 2 434.504 0.874 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cccc(C(=O)NC)c2)CC1 ZINC001588806391 1072340441 /nfs/dbraw/zinc/34/04/41/1072340441.db2.gz OYHURYIKRYFDTC-IBGZPJMESA-N 1 2 435.532 0.587 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cccc(C(=O)NC)c2)CC1 ZINC001588806392 1072340365 /nfs/dbraw/zinc/34/03/65/1072340365.db2.gz OYHURYIKRYFDTC-LJQANCHMSA-N 1 2 435.532 0.587 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3noc4c3COCC4)n2CCCOCCOC)CC1 ZINC001588806424 1072340690 /nfs/dbraw/zinc/34/06/90/1072340690.db2.gz QCUMPMLNYYECKO-UHFFFAOYSA-N 1 2 430.509 0.814 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC001588806519 1072341193 /nfs/dbraw/zinc/34/11/93/1072341193.db2.gz UFZUJCYYRATQQO-IBGZPJMESA-N 1 2 437.548 0.899 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC001588806520 1072341129 /nfs/dbraw/zinc/34/11/29/1072341129.db2.gz UFZUJCYYRATQQO-LJQANCHMSA-N 1 2 437.548 0.899 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(-c3c[nH]c4ccccc43)n2CCS(=O)(=O)NC)CC1 ZINC001588806582 1072341088 /nfs/dbraw/zinc/34/10/88/1072341088.db2.gz VXFCDTQQMSTDAO-UHFFFAOYSA-N 1 2 427.534 0.731 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)Nc2ccc(F)cc2)CC1 ZINC001588806585 1072341050 /nfs/dbraw/zinc/34/10/50/1072341050.db2.gz WAQFKPJNEHIGIE-KRWDZBQOSA-N 1 2 425.468 0.762 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)Nc2ccc(F)cc2)CC1 ZINC001588806586 1072341099 /nfs/dbraw/zinc/34/10/99/1072341099.db2.gz WAQFKPJNEHIGIE-QGZVFWFLSA-N 1 2 425.468 0.762 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)NCC=C)CC1 ZINC001588811312 1072341262 /nfs/dbraw/zinc/34/12/62/1072341262.db2.gz GBNCRWFRTYPBDC-UHFFFAOYSA-N 1 2 449.563 0.510 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001588811385 1072341172 /nfs/dbraw/zinc/34/11/72/1072341172.db2.gz IBPBNBOSXUIJON-GOSISDBHSA-N 1 2 444.561 0.427 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001588811386 1072341207 /nfs/dbraw/zinc/34/12/07/1072341207.db2.gz IBPBNBOSXUIJON-SFHVURJKSA-N 1 2 444.561 0.427 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 ZINC001588812469 1072341233 /nfs/dbraw/zinc/34/12/33/1072341233.db2.gz RSAFAQHOMKTBDH-KRWDZBQOSA-N 1 2 446.552 0.831 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 ZINC001588812474 1072341159 /nfs/dbraw/zinc/34/11/59/1072341159.db2.gz RSAFAQHOMKTBDH-QGZVFWFLSA-N 1 2 446.552 0.831 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2occc2C)CC1 ZINC001588835518 1072341817 /nfs/dbraw/zinc/34/18/17/1072341817.db2.gz ACLJIJAIPINRIG-GOSISDBHSA-N 1 2 448.549 0.316 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2occc2C)CC1 ZINC001588835519 1072341573 /nfs/dbraw/zinc/34/15/73/1072341573.db2.gz ACLJIJAIPINRIG-SFHVURJKSA-N 1 2 448.549 0.316 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(F)F)CC1 ZINC001588836108 1072342289 /nfs/dbraw/zinc/34/22/89/1072342289.db2.gz FQNBWGJAGKOXDL-HNNXBMFYSA-N 1 2 446.524 0.412 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(F)F)CC1 ZINC001588836109 1072342222 /nfs/dbraw/zinc/34/22/22/1072342222.db2.gz FQNBWGJAGKOXDL-OAHLLOKOSA-N 1 2 446.524 0.412 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=O)NCC(F)F)CC1 ZINC001588836512 1072342193 /nfs/dbraw/zinc/34/21/93/1072342193.db2.gz KUOAVKGMXVQXSA-KRWDZBQOSA-N 1 2 446.458 0.927 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)NCC(F)F)CC1 ZINC001588836515 1072342178 /nfs/dbraw/zinc/34/21/78/1072342178.db2.gz KUOAVKGMXVQXSA-QGZVFWFLSA-N 1 2 446.458 0.927 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(C)C)CC1 ZINC001588837383 1072342052 /nfs/dbraw/zinc/34/20/52/1072342052.db2.gz SCOXIGKLSXYELI-GOSISDBHSA-N 1 2 438.598 0.802 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(C)C)CC1 ZINC001588837384 1072342110 /nfs/dbraw/zinc/34/21/10/1072342110.db2.gz SCOXIGKLSXYELI-SFHVURJKSA-N 1 2 438.598 0.802 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCn2cnnn2)CC1 ZINC001588837589 1072342240 /nfs/dbraw/zinc/34/22/40/1072342240.db2.gz ZDWDJMDRZPHYGY-UHFFFAOYSA-N 1 2 427.463 0.979 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCCN(CC)S(C)(=O)=O)CC1 ZINC001588848221 1072342277 /nfs/dbraw/zinc/34/22/77/1072342277.db2.gz AKXSUVXYPWBYQK-UHFFFAOYSA-N 1 2 445.593 0.691 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001588848237 1072342082 /nfs/dbraw/zinc/34/20/82/1072342082.db2.gz BCIRUSCHKHYQKZ-IBGZPJMESA-N 1 2 443.577 0.301 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001588848238 1072342308 /nfs/dbraw/zinc/34/23/08/1072342308.db2.gz BCIRUSCHKHYQKZ-LJQANCHMSA-N 1 2 443.577 0.301 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001588848412 1072342394 /nfs/dbraw/zinc/34/23/94/1072342394.db2.gz DUGOUDJEZMYLIW-UHFFFAOYSA-N 1 2 434.541 0.655 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(OCC(N)=O)c2)CC1 ZINC001588848440 1072342251 /nfs/dbraw/zinc/34/22/51/1072342251.db2.gz FUQYYHOHXIPFNU-UHFFFAOYSA-N 1 2 445.527 0.932 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)N2CCOCC2)CC1 ZINC001588848585 1072342264 /nfs/dbraw/zinc/34/22/64/1072342264.db2.gz IYZDRIYMDIRQST-UHFFFAOYSA-N 1 2 426.496 0.622 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccn3)n2CCCN(CC)S(C)(=O)=O)CC1 ZINC001588848678 1072342374 /nfs/dbraw/zinc/34/23/74/1072342374.db2.gz KRZMOCASZBOYGE-UHFFFAOYSA-N 1 2 445.593 0.691 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccncc3)n2CCCN(CC)S(C)(=O)=O)CC1 ZINC001588848685 1072342419 /nfs/dbraw/zinc/34/24/19/1072342419.db2.gz LAYIYLHTVJXZRW-UHFFFAOYSA-N 1 2 445.593 0.691 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CCCNS(C)(=O)=O)CC1 ZINC001588848802 1072342134 /nfs/dbraw/zinc/34/21/34/1072342134.db2.gz NJDNRFZOGNPNQT-UHFFFAOYSA-N 1 2 434.541 0.703 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(OCC(N)=O)c2)CC1 ZINC001588848820 1072342848 /nfs/dbraw/zinc/34/28/48/1072342848.db2.gz NRQQMMQABFKHFR-UHFFFAOYSA-N 1 2 445.527 0.932 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001588848967 1072342929 /nfs/dbraw/zinc/34/29/29/1072342929.db2.gz SPSSAXVDJVOIFF-GOSISDBHSA-N 1 2 443.577 0.301 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001588848968 1072342815 /nfs/dbraw/zinc/34/28/15/1072342815.db2.gz SPSSAXVDJVOIFF-SFHVURJKSA-N 1 2 443.577 0.301 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001588848987 1072343005 /nfs/dbraw/zinc/34/30/05/1072343005.db2.gz UFEKTNZGFLABPG-IBGZPJMESA-N 1 2 443.577 0.301 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001588848988 1072342698 /nfs/dbraw/zinc/34/26/98/1072342698.db2.gz UFEKTNZGFLABPG-LJQANCHMSA-N 1 2 443.577 0.301 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(OCC(N)=O)c2)CC1 ZINC001588849025 1072343028 /nfs/dbraw/zinc/34/30/28/1072343028.db2.gz VQAVCGKQTIZVFE-UHFFFAOYSA-N 1 2 445.527 0.932 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCS(=O)(=O)NC)CC1 ZINC001588849078 1072342858 /nfs/dbraw/zinc/34/28/58/1072342858.db2.gz XYTYMIFRJPOEBD-UHFFFAOYSA-N 1 2 436.969 0.827 20 30 ICEDLO C#CCN1CCN(c2nnc(CC3CCCC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001588857318 1072342950 /nfs/dbraw/zinc/34/29/50/1072342950.db2.gz MDJTXERUXIYGLA-UHFFFAOYSA-N 1 2 427.597 0.930 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(CCc3ccccc3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001588857544 1072342749 /nfs/dbraw/zinc/34/27/49/1072342749.db2.gz PZPFTMQPZRKBHK-UHFFFAOYSA-N 1 2 432.532 0.972 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCNS(C)(=O)=O)CC1 ZINC001588857800 1072342723 /nfs/dbraw/zinc/34/27/23/1072342723.db2.gz SOPWNJWRBHQIBL-UHFFFAOYSA-N 1 2 441.561 0.655 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(=O)NC)c2)CC1 ZINC001588864577 1072345138 /nfs/dbraw/zinc/34/51/38/1072345138.db2.gz GOJRCFRCKYSYGQ-UHFFFAOYSA-N 1 2 435.532 0.564 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2ccc(C)cc2)CC1 ZINC001588864580 1072345161 /nfs/dbraw/zinc/34/51/61/1072345161.db2.gz GPOPOVUXARRTBO-UHFFFAOYSA-N 1 2 449.559 0.894 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cn3ccc4ccccc43)n2CCS(=O)(=O)NC)CC1 ZINC001588864645 1072345235 /nfs/dbraw/zinc/34/52/35/1072345235.db2.gz IHRBDLFUVUSHMH-UHFFFAOYSA-N 1 2 441.561 0.586 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001588864749 1072344925 /nfs/dbraw/zinc/34/49/25/1072344925.db2.gz JQFCLIKWADDCIX-UHFFFAOYSA-N 1 2 436.524 0.048 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCS(=O)(=O)NC)CC1 ZINC001588864798 1072345027 /nfs/dbraw/zinc/34/50/27/1072345027.db2.gz KCEIOZXFEHJMES-UHFFFAOYSA-N 1 2 446.577 0.778 20 30 ICEDLO C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001588864915 1072345119 /nfs/dbraw/zinc/34/51/19/1072345119.db2.gz LSTFDYQOJOYPPO-FQEVSTJZSA-N 1 2 426.569 0.616 20 30 ICEDLO C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001588864915 1072345107 /nfs/dbraw/zinc/34/51/07/1072345107.db2.gz LSTFDYQOJOYPPO-FQEVSTJZSA-N 1 2 426.569 0.616 20 30 ICEDLO C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001588864916 1072345286 /nfs/dbraw/zinc/34/52/86/1072345286.db2.gz LSTFDYQOJOYPPO-HXUWFJFHSA-N 1 2 426.569 0.616 20 30 ICEDLO C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001588864916 1072345280 /nfs/dbraw/zinc/34/52/80/1072345280.db2.gz LSTFDYQOJOYPPO-HXUWFJFHSA-N 1 2 426.569 0.616 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(C)=O)nc2)CC1 ZINC001588864952 1072344970 /nfs/dbraw/zinc/34/49/70/1072344970.db2.gz NBTLCIITSIVQSF-UHFFFAOYSA-N 1 2 436.520 0.557 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)CCOC)CC1 ZINC001588864953 1072345302 /nfs/dbraw/zinc/34/53/02/1072345302.db2.gz NCNDESMXMDSPPW-NRFANRHFSA-N 1 2 446.577 0.812 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)CCOC)CC1 ZINC001588864954 1072345182 /nfs/dbraw/zinc/34/51/82/1072345182.db2.gz NCNDESMXMDSPPW-OAQYLSRUSA-N 1 2 446.577 0.812 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cnnn2C)CC1 ZINC001588865000 1072345049 /nfs/dbraw/zinc/34/50/49/1072345049.db2.gz OWSUMWPAXIXKRW-UHFFFAOYSA-N 1 2 425.522 0.202 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCC=C)CC1 ZINC001588865211 1072345321 /nfs/dbraw/zinc/34/53/21/1072345321.db2.gz QNELVURHHQDXNM-UHFFFAOYSA-N 1 2 427.534 0.327 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ncn(C)n2)CC1 ZINC001588865347 1072345609 /nfs/dbraw/zinc/34/56/09/1072345609.db2.gz VEFKERPEABFASQ-UHFFFAOYSA-N 1 2 425.522 0.202 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCCCC2=O)CC1 ZINC001588865561 1072345781 /nfs/dbraw/zinc/34/57/81/1072345781.db2.gz XNDITGSCYNOSBY-UHFFFAOYSA-N 1 2 427.553 0.558 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2CCCn2cnnn2)CC1 ZINC001588871406 1072345852 /nfs/dbraw/zinc/34/58/52/1072345852.db2.gz CBNRGDQMUVNXHR-UHFFFAOYSA-N 1 2 425.472 0.828 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2CCS(=O)(=O)NC)CC1 ZINC001588871520 1072345867 /nfs/dbraw/zinc/34/58/67/1072345867.db2.gz GGNKNTCGWMFCOG-UHFFFAOYSA-N 1 2 436.513 0.301 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)N2CCOCC2)CC1 ZINC001588871942 1072345936 /nfs/dbraw/zinc/34/59/36/1072345936.db2.gz SWWODFNOHWHRPI-UHFFFAOYSA-N 1 2 442.495 0.610 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCS(=O)(=O)NC)CC1 ZINC001588876763 1072345763 /nfs/dbraw/zinc/34/57/63/1072345763.db2.gz IHBNMUMKHFKMGC-IAGOWNOFSA-N 1 2 438.598 0.501 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCO[C@H]2CCOC2)CC1 ZINC001588876859 1072345643 /nfs/dbraw/zinc/34/56/43/1072345643.db2.gz LLTQQRBZOXBMPJ-UFYCRDLUSA-N 1 2 433.553 0.953 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCO[C@@H]2CCOC2)CC1 ZINC001588876860 1072345986 /nfs/dbraw/zinc/34/59/86/1072345986.db2.gz LLTQQRBZOXBMPJ-ZCNNSNEGSA-N 1 2 433.553 0.953 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)N2CCOCC2)CC1 ZINC001588877136 1072345832 /nfs/dbraw/zinc/34/58/32/1072345832.db2.gz WPJBUZGWNVNSMW-ICSRJNTNSA-N 1 2 446.552 0.006 20 30 ICEDLO C#CC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001588877247 1072345740 /nfs/dbraw/zinc/34/57/40/1072345740.db2.gz YBNDXRWQBBFWON-ROUUACIJSA-N 1 2 446.552 0.039 20 30 ICEDLO C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001594962158 1072378257 /nfs/dbraw/zinc/37/82/57/1072378257.db2.gz JAVIERDRVUWHGS-INIZCTEOSA-N 1 2 442.586 0.344 20 30 ICEDLO C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001594962159 1072378349 /nfs/dbraw/zinc/37/83/49/1072378349.db2.gz JAVIERDRVUWHGS-MRXNPFEDSA-N 1 2 442.586 0.344 20 30 ICEDLO C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001595466174 1072388001 /nfs/dbraw/zinc/38/80/01/1072388001.db2.gz FXAPWIGUJBXPCU-GOSISDBHSA-N 1 2 444.584 0.033 20 30 ICEDLO C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001595466176 1072388112 /nfs/dbraw/zinc/38/81/12/1072388112.db2.gz FXAPWIGUJBXPCU-SFHVURJKSA-N 1 2 444.584 0.033 20 30 ICEDLO C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001595467452 1072388906 /nfs/dbraw/zinc/38/89/06/1072388906.db2.gz UVZTURIRYIUVQY-UHFFFAOYSA-N 1 2 446.581 0.806 20 30 ICEDLO C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001595497313 1072391381 /nfs/dbraw/zinc/39/13/81/1072391381.db2.gz XQJAYTWTQALKAL-UHFFFAOYSA-N 1 2 429.481 0.924 20 30 ICEDLO C=CCNC(=O)Cn1c(C2CC2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001595536479 1072393625 /nfs/dbraw/zinc/39/36/25/1072393625.db2.gz BLFVBVQWXCKEAK-IBGZPJMESA-N 1 2 431.585 0.689 20 30 ICEDLO C=CCNC(=O)Cn1c(C2CC2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001595536480 1072393591 /nfs/dbraw/zinc/39/35/91/1072393591.db2.gz BLFVBVQWXCKEAK-LJQANCHMSA-N 1 2 431.585 0.689 20 30 ICEDLO C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001595550288 1072396705 /nfs/dbraw/zinc/39/67/05/1072396705.db2.gz BVVAEKSCYILRTB-INIZCTEOSA-N 1 2 445.549 0.204 20 30 ICEDLO C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001595550289 1072396785 /nfs/dbraw/zinc/39/67/85/1072396785.db2.gz BVVAEKSCYILRTB-MRXNPFEDSA-N 1 2 445.549 0.204 20 30 ICEDLO C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001595550483 1072397305 /nfs/dbraw/zinc/39/73/05/1072397305.db2.gz FESVQDBLOFMNCN-IBGZPJMESA-N 1 2 442.520 0.861 20 30 ICEDLO C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001595550486 1072397393 /nfs/dbraw/zinc/39/73/93/1072397393.db2.gz FESVQDBLOFMNCN-LJQANCHMSA-N 1 2 442.520 0.861 20 30 ICEDLO C=CCNC(=O)Cn1c(N2CCN(c3cccc[nH+]3)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001595602120 1072402639 /nfs/dbraw/zinc/40/26/39/1072402639.db2.gz FJULZLJIRLHMDO-JOCHJYFZSA-N 1 2 441.536 0.954 20 30 ICEDLO C=CCNC(=O)Cn1c(N2CCN(c3cccc[nH+]3)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001595602123 1072402619 /nfs/dbraw/zinc/40/26/19/1072402619.db2.gz FJULZLJIRLHMDO-QFIPXVFZSA-N 1 2 441.536 0.954 20 30 ICEDLO C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001595674240 1072408440 /nfs/dbraw/zinc/40/84/40/1072408440.db2.gz OFRCCEWGJVKKON-BRWVUGGUSA-N 1 2 442.586 0.390 20 30 ICEDLO C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001595674240 1072408435 /nfs/dbraw/zinc/40/84/35/1072408435.db2.gz OFRCCEWGJVKKON-BRWVUGGUSA-N 1 2 442.586 0.390 20 30 ICEDLO C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001595674244 1072408386 /nfs/dbraw/zinc/40/83/86/1072408386.db2.gz OFRCCEWGJVKKON-GVDBMIGSSA-N 1 2 442.586 0.390 20 30 ICEDLO C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001595674244 1072408378 /nfs/dbraw/zinc/40/83/78/1072408378.db2.gz OFRCCEWGJVKKON-GVDBMIGSSA-N 1 2 442.586 0.390 20 30 ICEDLO C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001595674246 1072408526 /nfs/dbraw/zinc/40/85/26/1072408526.db2.gz OFRCCEWGJVKKON-IXDOHACOSA-N 1 2 442.586 0.390 20 30 ICEDLO C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001595674246 1072408521 /nfs/dbraw/zinc/40/85/21/1072408521.db2.gz OFRCCEWGJVKKON-IXDOHACOSA-N 1 2 442.586 0.390 20 30 ICEDLO C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001595674247 1072408472 /nfs/dbraw/zinc/40/84/72/1072408472.db2.gz OFRCCEWGJVKKON-YESZJQIVSA-N 1 2 442.586 0.390 20 30 ICEDLO C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001595674247 1072408468 /nfs/dbraw/zinc/40/84/68/1072408468.db2.gz OFRCCEWGJVKKON-YESZJQIVSA-N 1 2 442.586 0.390 20 30 ICEDLO C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001595824170 1072422834 /nfs/dbraw/zinc/42/28/34/1072422834.db2.gz XVNBFIVDHNDKRA-DLBZAZTESA-N 1 2 438.598 0.920 20 30 ICEDLO C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001595824170 1072422830 /nfs/dbraw/zinc/42/28/30/1072422830.db2.gz XVNBFIVDHNDKRA-DLBZAZTESA-N 1 2 438.598 0.920 20 30 ICEDLO C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001595824171 1072422774 /nfs/dbraw/zinc/42/27/74/1072422774.db2.gz XVNBFIVDHNDKRA-IAGOWNOFSA-N 1 2 438.598 0.920 20 30 ICEDLO C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001595824171 1072422763 /nfs/dbraw/zinc/42/27/63/1072422763.db2.gz XVNBFIVDHNDKRA-IAGOWNOFSA-N 1 2 438.598 0.920 20 30 ICEDLO C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001595824172 1072422813 /nfs/dbraw/zinc/42/28/13/1072422813.db2.gz XVNBFIVDHNDKRA-IRXDYDNUSA-N 1 2 438.598 0.920 20 30 ICEDLO C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001595824172 1072422807 /nfs/dbraw/zinc/42/28/07/1072422807.db2.gz XVNBFIVDHNDKRA-IRXDYDNUSA-N 1 2 438.598 0.920 20 30 ICEDLO C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001595824173 1072422866 /nfs/dbraw/zinc/42/28/66/1072422866.db2.gz XVNBFIVDHNDKRA-SJORKVTESA-N 1 2 438.598 0.920 20 30 ICEDLO C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001595824173 1072422859 /nfs/dbraw/zinc/42/28/59/1072422859.db2.gz XVNBFIVDHNDKRA-SJORKVTESA-N 1 2 438.598 0.920 20 30 ICEDLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 ZINC001596275404 1072470523 /nfs/dbraw/zinc/47/05/23/1072470523.db2.gz KURLAFDBGGYALS-INIZCTEOSA-N 1 2 438.540 0.127 20 30 ICEDLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 ZINC001596275405 1072470293 /nfs/dbraw/zinc/47/02/93/1072470293.db2.gz KURLAFDBGGYALS-MRXNPFEDSA-N 1 2 438.540 0.127 20 30 ICEDLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001596288769 1072474391 /nfs/dbraw/zinc/47/43/91/1072474391.db2.gz IQJORMXGRRNDGB-NRFANRHFSA-N 1 2 426.500 0.870 20 30 ICEDLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001596288772 1072474267 /nfs/dbraw/zinc/47/42/67/1072474267.db2.gz IQJORMXGRRNDGB-OAQYLSRUSA-N 1 2 426.500 0.870 20 30 ICEDLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC001596929821 1072529401 /nfs/dbraw/zinc/52/94/01/1072529401.db2.gz FNBSYJFUXQIPDS-KRWDZBQOSA-N 1 2 449.577 0.420 20 30 ICEDLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC001596929821 1072529393 /nfs/dbraw/zinc/52/93/93/1072529393.db2.gz FNBSYJFUXQIPDS-KRWDZBQOSA-N 1 2 449.577 0.420 20 30 ICEDLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC001596929822 1072529276 /nfs/dbraw/zinc/52/92/76/1072529276.db2.gz FNBSYJFUXQIPDS-QGZVFWFLSA-N 1 2 449.577 0.420 20 30 ICEDLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC001596929822 1072529270 /nfs/dbraw/zinc/52/92/70/1072529270.db2.gz FNBSYJFUXQIPDS-QGZVFWFLSA-N 1 2 449.577 0.420 20 30 ICEDLO N#C[C@@]12CN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)C3CCCCC3)C[C@H]1CS(=O)(=O)C2 ZINC001597372380 1072552936 /nfs/dbraw/zinc/55/29/36/1072552936.db2.gz VQLRVPDJTFOKNS-KNBMTAEXSA-N 1 2 433.534 0.414 20 30 ICEDLO N#C[C@@]12CN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)C3CCCCC3)C[C@H]1CS(=O)(=O)C2 ZINC001597372380 1072552921 /nfs/dbraw/zinc/55/29/21/1072552921.db2.gz VQLRVPDJTFOKNS-KNBMTAEXSA-N 1 2 433.534 0.414 20 30 ICEDLO CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001609506748 1072721359 /nfs/dbraw/zinc/72/13/59/1072721359.db2.gz HRSSENJGSODKGJ-KRWDZBQOSA-N 1 2 440.508 0.425 20 30 ICEDLO CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001609506749 1072721248 /nfs/dbraw/zinc/72/12/48/1072721248.db2.gz HRSSENJGSODKGJ-QGZVFWFLSA-N 1 2 440.508 0.425 20 30 ICEDLO CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC[N@H+]2CCOC[C@@H]2C)CCOC1 ZINC001610900760 1072745973 /nfs/dbraw/zinc/74/59/73/1072745973.db2.gz BFDKOBNXXIEHHF-BBTUJRGHSA-N 1 2 434.541 0.768 20 30 ICEDLO CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC[N@@H+]2CCOC[C@@H]2C)CCOC1 ZINC001610900760 1072745969 /nfs/dbraw/zinc/74/59/69/1072745969.db2.gz BFDKOBNXXIEHHF-BBTUJRGHSA-N 1 2 434.541 0.768 20 30 ICEDLO CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[N@H+]2CCOC[C@H]2C)CCOC1 ZINC001610900767 1072745936 /nfs/dbraw/zinc/74/59/36/1072745936.db2.gz BFDKOBNXXIEHHF-DBXWQHBBSA-N 1 2 434.541 0.768 20 30 ICEDLO CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[N@@H+]2CCOC[C@H]2C)CCOC1 ZINC001610900767 1072745932 /nfs/dbraw/zinc/74/59/32/1072745932.db2.gz BFDKOBNXXIEHHF-DBXWQHBBSA-N 1 2 434.541 0.768 20 30 ICEDLO CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC[N@H+]2CCOC[C@H]2C)CCOC1 ZINC001610900768 1072745986 /nfs/dbraw/zinc/74/59/86/1072745986.db2.gz BFDKOBNXXIEHHF-LVCYWYKZSA-N 1 2 434.541 0.768 20 30 ICEDLO CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC[N@@H+]2CCOC[C@H]2C)CCOC1 ZINC001610900768 1072745983 /nfs/dbraw/zinc/74/59/83/1072745983.db2.gz BFDKOBNXXIEHHF-LVCYWYKZSA-N 1 2 434.541 0.768 20 30 ICEDLO CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[N@H+]2CCOC[C@@H]2C)CCOC1 ZINC001610900769 1072745922 /nfs/dbraw/zinc/74/59/22/1072745922.db2.gz BFDKOBNXXIEHHF-WAOWUJCRSA-N 1 2 434.541 0.768 20 30 ICEDLO CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[N@@H+]2CCOC[C@@H]2C)CCOC1 ZINC001610900769 1072745919 /nfs/dbraw/zinc/74/59/19/1072745919.db2.gz BFDKOBNXXIEHHF-WAOWUJCRSA-N 1 2 434.541 0.768 20 30 ICEDLO C=CCn1cc(C(=O)NCCc2ccc(OCC[NH+]3CCN(C(C)=O)CC3)cc2)nn1 ZINC001611256125 1072766863 /nfs/dbraw/zinc/76/68/63/1072766863.db2.gz GMQRKVIGGWHIAC-UHFFFAOYSA-N 1 2 426.521 0.980 20 30 ICEDLO C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)[NH+]1CCOCC1 ZINC001611601561 1072790720 /nfs/dbraw/zinc/79/07/20/1072790720.db2.gz URCGKVKBPRYPBM-INIZCTEOSA-N 1 2 425.493 0.386 20 30 ICEDLO C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)[NH+]1CCOCC1 ZINC001611601562 1072790790 /nfs/dbraw/zinc/79/07/90/1072790790.db2.gz URCGKVKBPRYPBM-MRXNPFEDSA-N 1 2 425.493 0.386 20 30 ICEDLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001611687026 1072821168 /nfs/dbraw/zinc/82/11/68/1072821168.db2.gz PZCVEOHZJVMPSF-ACJLOTCBSA-N 1 2 436.517 0.840 20 30 ICEDLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001611687027 1072821352 /nfs/dbraw/zinc/82/13/52/1072821352.db2.gz PZCVEOHZJVMPSF-FZKQIMNGSA-N 1 2 436.517 0.840 20 30 ICEDLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001611687028 1072821128 /nfs/dbraw/zinc/82/11/28/1072821128.db2.gz PZCVEOHZJVMPSF-SCLBCKFNSA-N 1 2 436.517 0.840 20 30 ICEDLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001611687029 1072821238 /nfs/dbraw/zinc/82/12/38/1072821238.db2.gz PZCVEOHZJVMPSF-UGSOOPFHSA-N 1 2 436.517 0.840 20 30 ICEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(CNC(=O)OC(C)(C)C)CCCOC2)CC1 ZINC001615208670 1073079722 /nfs/dbraw/zinc/07/97/22/1073079722.db2.gz DOUDVYLKLILSFI-JOCHJYFZSA-N 1 2 436.553 0.592 20 30 ICEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@]2(CNC(=O)OC(C)(C)C)CCCOC2)CC1 ZINC001615208670 1073079708 /nfs/dbraw/zinc/07/97/08/1073079708.db2.gz DOUDVYLKLILSFI-JOCHJYFZSA-N 1 2 436.553 0.592 20 30 ICEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2(CNC(=O)OC(C)(C)C)CCCOC2)CC1 ZINC001615208671 1073079901 /nfs/dbraw/zinc/07/99/01/1073079901.db2.gz DOUDVYLKLILSFI-QFIPXVFZSA-N 1 2 436.553 0.592 20 30 ICEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]2(CNC(=O)OC(C)(C)C)CCCOC2)CC1 ZINC001615208671 1073079892 /nfs/dbraw/zinc/07/98/92/1073079892.db2.gz DOUDVYLKLILSFI-QFIPXVFZSA-N 1 2 436.553 0.592 20 30 ICEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]23COC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001615208696 1073080056 /nfs/dbraw/zinc/08/00/56/1073080056.db2.gz FSKYLSISNVOYFK-VGOFRKELSA-N 1 2 434.537 0.154 20 30 ICEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]23COC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001615208696 1073080045 /nfs/dbraw/zinc/08/00/45/1073080045.db2.gz FSKYLSISNVOYFK-VGOFRKELSA-N 1 2 434.537 0.154 20 30 ICEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(NS(C)(=O)=O)cc2Cl)CC1 ZINC001615208705 1073079928 /nfs/dbraw/zinc/07/99/28/1073079928.db2.gz FXVDWOCTWDMQFQ-UHFFFAOYSA-N 1 2 426.926 0.609 20 30 ICEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(NS(C)(=O)=O)cc2Cl)CC1 ZINC001615208705 1073079920 /nfs/dbraw/zinc/07/99/20/1073079920.db2.gz FXVDWOCTWDMQFQ-UHFFFAOYSA-N 1 2 426.926 0.609 20 30 ICEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](Cc2ccccn2)NC(=O)OC(C)(C)C)CC1 ZINC001615209067 1073080097 /nfs/dbraw/zinc/08/00/97/1073080097.db2.gz LMPDMGCYLYBDCN-LJQANCHMSA-N 1 2 443.548 0.801 20 30 ICEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](Cc2ccccn2)NC(=O)OC(C)(C)C)CC1 ZINC001615209067 1073080086 /nfs/dbraw/zinc/08/00/86/1073080086.db2.gz LMPDMGCYLYBDCN-LJQANCHMSA-N 1 2 443.548 0.801 20 30 ICEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC001615209338 1073080009 /nfs/dbraw/zinc/08/00/09/1073080009.db2.gz ORZJRNBATJMLGM-UHFFFAOYSA-N 1 2 435.322 0.843 20 30 ICEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC001615209338 1073079995 /nfs/dbraw/zinc/07/99/95/1073079995.db2.gz ORZJRNBATJMLGM-UHFFFAOYSA-N 1 2 435.322 0.843 20 30 ICEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(I)ccc2N)CC1 ZINC001615209949 1073079853 /nfs/dbraw/zinc/07/98/53/1073079853.db2.gz YHJZMBOYYIIXNU-UHFFFAOYSA-N 1 2 440.285 0.771 20 30 ICEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(I)ccc2N)CC1 ZINC001615209949 1073079841 /nfs/dbraw/zinc/07/98/41/1073079841.db2.gz YHJZMBOYYIIXNU-UHFFFAOYSA-N 1 2 440.285 0.771 20 30 ICEDLO CC[N@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001615857448 1073133866 /nfs/dbraw/zinc/13/38/66/1073133866.db2.gz LRDIFOGIULKBGJ-HRAATJIYSA-N 1 2 444.561 0.897 20 30 ICEDLO CC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001615857448 1073133863 /nfs/dbraw/zinc/13/38/63/1073133863.db2.gz LRDIFOGIULKBGJ-HRAATJIYSA-N 1 2 444.561 0.897 20 30 ICEDLO CC[N@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001615857449 1073133772 /nfs/dbraw/zinc/13/37/72/1073133772.db2.gz LRDIFOGIULKBGJ-IERDGZPVSA-N 1 2 444.561 0.897 20 30 ICEDLO CC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001615857449 1073133769 /nfs/dbraw/zinc/13/37/69/1073133769.db2.gz LRDIFOGIULKBGJ-IERDGZPVSA-N 1 2 444.561 0.897 20 30 ICEDLO CC[N@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001615857450 1073133746 /nfs/dbraw/zinc/13/37/46/1073133746.db2.gz LRDIFOGIULKBGJ-IIBYNOLFSA-N 1 2 444.561 0.897 20 30 ICEDLO CC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001615857450 1073133742 /nfs/dbraw/zinc/13/37/42/1073133742.db2.gz LRDIFOGIULKBGJ-IIBYNOLFSA-N 1 2 444.561 0.897 20 30 ICEDLO CC[N@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001615857451 1073133896 /nfs/dbraw/zinc/13/38/96/1073133896.db2.gz LRDIFOGIULKBGJ-KKSFZXQISA-N 1 2 444.561 0.897 20 30 ICEDLO CC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001615857451 1073133889 /nfs/dbraw/zinc/13/38/89/1073133889.db2.gz LRDIFOGIULKBGJ-KKSFZXQISA-N 1 2 444.561 0.897 20 30 ICEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)C1=O ZINC001616197702 1073181067 /nfs/dbraw/zinc/18/10/67/1073181067.db2.gz BOCQYDBEBOZMJK-GOSISDBHSA-N 1 2 435.550 0.011 20 30 ICEDLO C=CCN1CC[C@H]([NH+]2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)C1=O ZINC001616197706 1073181004 /nfs/dbraw/zinc/18/10/04/1073181004.db2.gz BOCQYDBEBOZMJK-SFHVURJKSA-N 1 2 435.550 0.011 20 30 ICEDLO CN(C)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c[nH+]1 ZINC001617666610 1073324695 /nfs/dbraw/zinc/32/46/95/1073324695.db2.gz DLKDNYCFLOENEJ-CVEARBPZSA-N 1 2 431.522 0.418 20 30 ICEDLO CN(C)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c[nH+]1 ZINC001617666612 1073325087 /nfs/dbraw/zinc/32/50/87/1073325087.db2.gz DLKDNYCFLOENEJ-HOTGVXAUSA-N 1 2 431.522 0.418 20 30 ICEDLO CN(C)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c[nH+]1 ZINC001617666613 1073325020 /nfs/dbraw/zinc/32/50/20/1073325020.db2.gz DLKDNYCFLOENEJ-HZPDHXFCSA-N 1 2 431.522 0.418 20 30 ICEDLO CN(C)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c[nH+]1 ZINC001617666615 1073325119 /nfs/dbraw/zinc/32/51/19/1073325119.db2.gz DLKDNYCFLOENEJ-JKSUJKDBSA-N 1 2 431.522 0.418 20 30 ICEDLO C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001618180430 1073365408 /nfs/dbraw/zinc/36/54/08/1073365408.db2.gz HYHOWWVGZCMTFI-BEFAXECRSA-N 1 2 448.570 0.992 20 30 ICEDLO C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001618180431 1073365316 /nfs/dbraw/zinc/36/53/16/1073365316.db2.gz HYHOWWVGZCMTFI-DNVCBOLYSA-N 1 2 448.570 0.992 20 30 ICEDLO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001618180432 1073365267 /nfs/dbraw/zinc/36/52/67/1073365267.db2.gz HYHOWWVGZCMTFI-HNAYVOBHSA-N 1 2 448.570 0.992 20 30 ICEDLO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001618180433 1073365336 /nfs/dbraw/zinc/36/53/36/1073365336.db2.gz HYHOWWVGZCMTFI-KXBFYZLASA-N 1 2 448.570 0.992 20 30 ICEDLO C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)[nH]n2)c1C ZINC001618476892 1073399921 /nfs/dbraw/zinc/39/99/21/1073399921.db2.gz UTUKIAXNYYQGLA-KRWDZBQOSA-N 1 2 441.536 0.739 20 30 ICEDLO C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)[nH]n2)c1C ZINC001618476893 1073399707 /nfs/dbraw/zinc/39/97/07/1073399707.db2.gz UTUKIAXNYYQGLA-QGZVFWFLSA-N 1 2 441.536 0.739 20 30 ICEDLO CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001618840491 1073521680 /nfs/dbraw/zinc/52/16/80/1073521680.db2.gz QVUJALKYBIFBEI-UHFFFAOYSA-N 1 2 433.538 0.134 20 30 ICEDLO CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001618842572 1073523750 /nfs/dbraw/zinc/52/37/50/1073523750.db2.gz XUYZRKKBJIXVCT-UHFFFAOYSA-N 1 2 433.538 0.134 20 30 ICEDLO COc1cc[nH+]cc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N ZINC001619471661 1073589628 /nfs/dbraw/zinc/58/96/28/1073589628.db2.gz KBSFVEDLVWJAIG-PBHICJAKSA-N 1 2 449.537 0.801 20 30 ICEDLO COc1cc[nH+]cc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N ZINC001619471666 1073589713 /nfs/dbraw/zinc/58/97/13/1073589713.db2.gz KBSFVEDLVWJAIG-RHSMWYFYSA-N 1 2 449.537 0.801 20 30 ICEDLO COc1cc[nH+]cc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N ZINC001619471667 1073589432 /nfs/dbraw/zinc/58/94/32/1073589432.db2.gz KBSFVEDLVWJAIG-WMLDXEAASA-N 1 2 449.537 0.801 20 30 ICEDLO COc1cc[nH+]cc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N ZINC001619471668 1073589754 /nfs/dbraw/zinc/58/97/54/1073589754.db2.gz KBSFVEDLVWJAIG-YOEHRIQHSA-N 1 2 449.537 0.801 20 30 ICEDLO