smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](CC(=O)Nc1ccnn1C1CCCC1)C[C@H]1CCC[C@@H]1O ZINC000159547437 539582553 /nfs/dbraw/zinc/58/25/53/539582553.db2.gz VTQGJSBXRLTMKI-HIFRSBDPSA-N 0 1 320.437 2.030 20 70 DEIDMN CN(CC(=O)Nc1ccnn1C1CCCC1)C[C@H]1CCC[C@@H]1O ZINC000159547437 539582558 /nfs/dbraw/zinc/58/25/58/539582558.db2.gz VTQGJSBXRLTMKI-HIFRSBDPSA-N 0 1 320.437 2.030 20 70 DEIDMN CC(C)NC(=O)CN[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000160925583 539588495 /nfs/dbraw/zinc/58/84/95/539588495.db2.gz DPTFRVGKZCNDGW-LLVKDONJSA-N 0 1 303.406 2.092 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)c2cc(F)cc3nc[nH]c32)[nH]n1 ZINC000161467152 539591915 /nfs/dbraw/zinc/59/19/15/539591915.db2.gz QPAONMNWZLVJGT-QMMMGPOBSA-N 0 1 301.325 2.095 20 70 DEIDMN C[C@H](O)CCN(C)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000159678140 186134670 /nfs/dbraw/zinc/13/46/70/186134670.db2.gz YLOZFTKVFYNKTA-IINYFYTJSA-N 0 1 314.788 2.287 20 70 DEIDMN CCN(Cc1cccc(F)c1)C(=O)CN(C)C[C@H]1CCC[C@@H]1O ZINC000159696611 186136559 /nfs/dbraw/zinc/13/65/59/186136559.db2.gz JIRCLNUBTOEHII-WBVHZDCISA-N 0 1 322.424 2.267 20 70 DEIDMN CC[C@H](C(=O)N(C)c1cc(OC)c(OC)c(OC)c1)N(C)C ZINC000159714725 197361346 /nfs/dbraw/zinc/36/13/46/197361346.db2.gz QKRFTCVWWXIQFW-GFCCVEGCSA-N 0 1 310.394 2.015 20 70 DEIDMN Cc1nnc(NC(=O)c2cnn(-c3cc(C)ccc3C)c2C)[nH]1 ZINC000159518392 197359940 /nfs/dbraw/zinc/35/99/40/197359940.db2.gz FUGJGPQDCZLCGP-UHFFFAOYSA-N 0 1 310.361 2.476 20 70 DEIDMN Cc1n[nH]c(NC(=O)c2cnn(-c3cc(C)ccc3C)c2C)n1 ZINC000159518392 197359942 /nfs/dbraw/zinc/35/99/42/197359942.db2.gz FUGJGPQDCZLCGP-UHFFFAOYSA-N 0 1 310.361 2.476 20 70 DEIDMN Cc1ccc(-c2nc(C(=O)N3CCNCC3)cs2)c(C)c1 ZINC000159386797 197349612 /nfs/dbraw/zinc/34/96/12/197349612.db2.gz RSYDAJSBDKFMSP-UHFFFAOYSA-N 0 1 301.415 2.472 20 70 DEIDMN Cc1cc(Oc2ccc(NC(=O)CCc3nc[nH]n3)cc2)n[nH]1 ZINC000160474161 402346925 /nfs/dbraw/zinc/34/69/25/402346925.db2.gz IWZQOXCYULDWAC-UHFFFAOYSA-N 0 1 312.333 2.200 20 70 DEIDMN C[C@H](Oc1cccc(Cl)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160541481 402350045 /nfs/dbraw/zinc/35/00/45/402350045.db2.gz QQXSVMQCHVTVAL-FPMFFAJLSA-N 0 1 308.809 2.460 20 70 DEIDMN CCCCn1c(=O)[nH]nc1S(=O)(=O)Cc1ccc(C)cc1 ZINC000161200939 402376929 /nfs/dbraw/zinc/37/69/29/402376929.db2.gz HTNZAKWSCFZREQ-UHFFFAOYSA-N 0 1 309.391 2.066 20 70 DEIDMN CN1C(=O)COc2ccc(NC(=O)c3cccc4nc[nH]c43)cc21 ZINC000159767409 402330253 /nfs/dbraw/zinc/33/02/53/402330253.db2.gz NZZKHVMHAJJYSV-UHFFFAOYSA-N 0 1 322.324 2.170 20 70 DEIDMN C[C@H](O)CN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000159507697 525742513 /nfs/dbraw/zinc/74/25/13/525742513.db2.gz IDTYDEBTQWCTBA-KKUMJFAQSA-N 0 1 318.461 2.444 20 70 DEIDMN Cc1cc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)ncn1 ZINC000161304606 539589823 /nfs/dbraw/zinc/58/98/23/539589823.db2.gz ISCUXVOKDRUKHR-AWEZNQCLSA-N 0 1 316.430 2.413 20 70 DEIDMN CNS(=O)(=O)c1cccc([C@H](C)NCc2ccc(C)nc2)c1 ZINC000161298298 539589880 /nfs/dbraw/zinc/58/98/80/539589880.db2.gz OZXDYNDCLBYNOI-ZDUSSCGKSA-N 0 1 319.430 2.149 20 70 DEIDMN O=C(Nc1cnn(CC(F)(F)F)c1)[C@@H]1NCCc2ccccc21 ZINC000159702785 186136191 /nfs/dbraw/zinc/13/61/91/186136191.db2.gz LJNLNZBQWKRAKO-CYBMUJFWSA-N 0 1 324.306 2.271 20 70 DEIDMN CCOc1cc(CNC(=O)[C@@H](N)c2ccccc2)ccc1OC ZINC000159587707 402326508 /nfs/dbraw/zinc/32/65/08/402326508.db2.gz RRVATXXNFLNFJP-KRWDZBQOSA-N 0 1 314.385 2.410 20 70 DEIDMN CCc1nc(CN2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)n[nH]1 ZINC000159411365 402323342 /nfs/dbraw/zinc/32/33/42/402323342.db2.gz QBVXPCOXOSGAEE-RYUDHWBXSA-N 0 1 323.441 2.245 20 70 DEIDMN Cc1nc2ccccn2c1CN1CCC[C@H](N2CCCC2=O)C1 ZINC000160348423 402342294 /nfs/dbraw/zinc/34/22/94/402342294.db2.gz XDSAZBDYTKPXSI-HNNXBMFYSA-N 0 1 312.417 2.230 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)c2occc2Br)n[nH]1 ZINC000161424425 402387073 /nfs/dbraw/zinc/38/70/73/402387073.db2.gz CMURHLYAWYOICM-SSDOTTSWSA-N 0 1 312.167 2.435 20 70 DEIDMN CC[C@@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)[C@@H]1CCCO1 ZINC000161427349 402387221 /nfs/dbraw/zinc/38/72/21/402387221.db2.gz OXRONQISDUBQPF-KGLIPLIRSA-N 0 1 300.362 2.159 20 70 DEIDMN Cc1ccc2c(c1)OCCC[C@@H]2NCC(=O)NCC(F)(F)F ZINC000160541080 402350035 /nfs/dbraw/zinc/35/00/35/402350035.db2.gz QHKNRMZRHJJHDV-LBPRGKRZSA-N 0 1 316.323 2.477 20 70 DEIDMN Cc1cccc2nc(CN3CCC(c4cc[nH]n4)CC3)cc(=O)n12 ZINC000160540150 402350143 /nfs/dbraw/zinc/35/01/43/402350143.db2.gz OKTOWTCUIDMMKN-UHFFFAOYSA-N 0 1 323.400 2.106 20 70 DEIDMN C[C@H](NCCS(=O)(=O)c1ccc(F)cc1)c1ccncc1 ZINC000160550287 402350563 /nfs/dbraw/zinc/35/05/63/402350563.db2.gz XJZLTWQSVWEXOO-LBPRGKRZSA-N 0 1 308.378 2.345 20 70 DEIDMN COCCCOC1CCN(Cc2cnc3ccccn23)CC1 ZINC000160588537 402352453 /nfs/dbraw/zinc/35/24/53/402352453.db2.gz WVFQUSDCCYAQDR-UHFFFAOYSA-N 0 1 303.406 2.352 20 70 DEIDMN CNC(=O)NC(=O)CNC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000161450482 402388396 /nfs/dbraw/zinc/38/83/96/402388396.db2.gz JOSDBIYKVOXNFR-UHFFFAOYSA-N 0 1 318.204 2.274 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)c2cncc(Br)c2)n[nH]1 ZINC000161356636 402384858 /nfs/dbraw/zinc/38/48/58/402384858.db2.gz XSGIYDIFCVZUKU-MRVPVSSYSA-N 0 1 323.194 2.237 20 70 DEIDMN CNC(=O)c1ccc(CNC(=O)c2c(C)n[nH]c2C(C)C)cc1 ZINC000159772273 402330349 /nfs/dbraw/zinc/33/03/49/402330349.db2.gz RPQAPDXNNDIOFT-UHFFFAOYSA-N 0 1 314.389 2.131 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)c2csc([C@@H]3CCCO3)n2)n[nH]1 ZINC000160158287 402337537 /nfs/dbraw/zinc/33/75/37/402337537.db2.gz LYBQXQBJXJXCAN-RNCFNFMXSA-N 0 1 320.418 2.387 20 70 DEIDMN Cc1ccc(C)c(OCCC(=O)N2C[C@H]3CCC[C@@H](C2)N3)c1 ZINC000159863871 224712359 /nfs/dbraw/zinc/71/23/59/224712359.db2.gz MNAASQUOLIPEQE-IYBDPMFKSA-N 0 1 302.418 2.425 20 70 DEIDMN CC(C)[C@H](CCO)NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000160702211 519813926 /nfs/dbraw/zinc/81/39/26/519813926.db2.gz DJCLZAQWBCAIQU-DLBZAZTESA-N 0 1 304.434 2.174 20 70 DEIDMN CCOc1ccccc1OCC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000161074237 521559235 /nfs/dbraw/zinc/55/92/35/521559235.db2.gz OIWJAMSVABQOGX-GFCCVEGCSA-N 0 1 317.389 2.243 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)NC[C@@H](C)c2c(C)noc2C)n[nH]1 ZINC000160750178 524826317 /nfs/dbraw/zinc/82/63/17/524826317.db2.gz LYTSSZKQSIPPJR-NXEZZACHSA-N 0 1 319.409 2.357 20 70 DEIDMN C[C@H](Oc1ccccc1Cl)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160306940 525962980 /nfs/dbraw/zinc/96/29/80/525962980.db2.gz NQFMRMAVRWDIOM-RWMBFGLXSA-N 0 1 308.809 2.460 20 70 DEIDMN O=C(Nc1ccc(COC2CCCC2)cc1)[C@@H]1CNCCO1 ZINC000159603516 186130467 /nfs/dbraw/zinc/13/04/67/186130467.db2.gz BFZNEXWFSSQGQP-INIZCTEOSA-N 0 1 304.390 2.073 20 70 DEIDMN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1cccc2[nH]cnc21 ZINC000159483592 402323984 /nfs/dbraw/zinc/32/39/84/402323984.db2.gz IABNILZGQULCIK-AWEZNQCLSA-N 0 1 314.389 2.036 20 70 DEIDMN N[C@@H](C(=O)N1CCN(CCc2ccccc2)CC1)c1ccccc1 ZINC000217361599 402291898 /nfs/dbraw/zinc/29/18/98/402291898.db2.gz OQXSLSGRTZWFRD-LJQANCHMSA-N 0 1 323.440 2.073 20 70 DEIDMN Cc1ccccc1-n1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)cn1 ZINC000160636084 402355088 /nfs/dbraw/zinc/35/50/88/402355088.db2.gz DJLDFNVARLOIDJ-IYBDPMFKSA-N 0 1 310.401 2.147 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)Cc2cn(C)c3ccccc23)n[nH]1 ZINC000161375916 402385158 /nfs/dbraw/zinc/38/51/58/402385158.db2.gz DCTWHBFWZAKJFQ-LBPRGKRZSA-N 0 1 310.401 2.500 20 70 DEIDMN Cc1ccc(-c2n[nH]cc2CN2CCC(CC(N)=O)CC2)o1 ZINC000159736622 402329729 /nfs/dbraw/zinc/32/97/29/402329729.db2.gz ZSDZCZSSJHSXMJ-UHFFFAOYSA-N 0 1 302.378 2.066 20 70 DEIDMN CCOc1ccc(CN2CCC(CC(N)=O)CC2)cc1OC ZINC000159835358 520968604 /nfs/dbraw/zinc/96/86/04/520968604.db2.gz DQQZAFJRNLIIIS-UHFFFAOYSA-N 0 1 306.406 2.181 20 70 DEIDMN CCc1nc(CN[C@@H](C)c2ccc(N3CCCC3=O)cc2)n[nH]1 ZINC000160387964 522343988 /nfs/dbraw/zinc/34/39/88/522343988.db2.gz OJKFDEOFJAGBPY-LBPRGKRZSA-N 0 1 313.405 2.345 20 70 DEIDMN COc1ccccc1CCC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000161221505 524397184 /nfs/dbraw/zinc/39/71/84/524397184.db2.gz ULNOILMRSHLRPE-GFCCVEGCSA-N 0 1 301.390 2.407 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)c2ccc(Cn3ccnc3)cc2)n[nH]1 ZINC000161366563 524837783 /nfs/dbraw/zinc/83/77/83/524837783.db2.gz CRTBHETWCAJGRQ-ZDUSSCGKSA-N 0 1 323.400 2.324 20 70 DEIDMN Cc1nc(C)n(C[C@H]2CCCN(Cc3cnc4ccccn34)C2)n1 ZINC000160084218 197384544 /nfs/dbraw/zinc/38/45/44/197384544.db2.gz YTAMOIRMEMKEEO-INIZCTEOSA-N 0 1 324.432 2.455 20 70 DEIDMN Cc1onc(-c2ccncc2)c1C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000159911298 197372925 /nfs/dbraw/zinc/37/29/25/197372925.db2.gz CPSCBTLTKSFAAO-AWEZNQCLSA-N 0 1 314.389 2.211 20 70 DEIDMN Cc1ncc(CN2CCC(CC(N)=O)CC2)n1-c1ccccc1 ZINC000159777829 197363251 /nfs/dbraw/zinc/36/32/51/197363251.db2.gz MWFNYXWKPPHTSD-UHFFFAOYSA-N 0 1 312.417 2.268 20 70 DEIDMN C[C@@H](O)CN(C)[C@@H](C)C(=O)Nc1ccccc1Br ZINC000159525601 197361163 /nfs/dbraw/zinc/36/11/63/197361163.db2.gz HGXCVPWYFYRRRT-ZJUUUORDSA-N 0 1 315.211 2.089 20 70 DEIDMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N(C)CCC1CC1 ZINC000159499102 197358935 /nfs/dbraw/zinc/35/89/35/197358935.db2.gz NGERHABDMUDCQU-UHFFFAOYSA-N 0 1 318.421 2.111 20 70 DEIDMN C[C@H](O)C[C@@H](CNC(=O)c1ccc2[nH]nnc2c1)c1ccccc1 ZINC000159402172 197350173 /nfs/dbraw/zinc/35/01/73/197350173.db2.gz HAOAPKDTDQJYIM-WFASDCNBSA-N 0 1 324.384 2.242 20 70 DEIDMN CCn1ccnc1CNC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000217802770 402293921 /nfs/dbraw/zinc/29/39/21/402293921.db2.gz SRFVTDOBQKMNCZ-CYBMUJFWSA-N 0 1 308.426 2.392 20 70 DEIDMN COCCNCC(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000159604043 402326380 /nfs/dbraw/zinc/32/63/80/402326380.db2.gz FPKIKOMEYMNYIT-UHFFFAOYSA-N 0 1 306.406 2.320 20 70 DEIDMN O=C(c1csc(Br)c1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160670142 402356276 /nfs/dbraw/zinc/35/62/76/402356276.db2.gz NBNGCUWDKXNFAH-AOOOYVTPSA-N 0 1 315.236 2.477 20 70 DEIDMN COC(=O)NCCCC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000161451863 402388185 /nfs/dbraw/zinc/38/81/85/402388185.db2.gz OCCHQUOYYNHPDZ-UHFFFAOYSA-N 0 1 320.349 2.361 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)c2cc3c(c(Cl)c2)OCO3)n[nH]1 ZINC000161220235 402378451 /nfs/dbraw/zinc/37/84/51/402378451.db2.gz BKNXFZVAWLUKEJ-MRVPVSSYSA-N 0 1 321.764 2.461 20 70 DEIDMN COCCNCC(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000161336198 402383157 /nfs/dbraw/zinc/38/31/57/402383157.db2.gz SBWGZPOBCPTIRB-UHFFFAOYSA-N 0 1 310.369 2.322 20 70 DEIDMN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159722762 402328725 /nfs/dbraw/zinc/32/87/25/402328725.db2.gz NFHVNTFRNAQZRW-UTUOFQBUSA-N 0 1 310.344 2.085 20 70 DEIDMN CC[N@H+]1CCCN(C(=O)NCc2cccc3cccnc32)CC1 ZINC000159777324 402330353 /nfs/dbraw/zinc/33/03/53/402330353.db2.gz CMUONQBKHQUWCK-UHFFFAOYSA-N 0 1 312.417 2.472 20 70 DEIDMN Cc1n[nH]c(C(C)C)c1C(=O)NC1CCN(C(=O)C(C)C)CC1 ZINC000159800624 402331222 /nfs/dbraw/zinc/33/12/22/402331222.db2.gz CYIXUKFBIVRNQW-UHFFFAOYSA-N 0 1 320.437 2.218 20 70 DEIDMN CCc1nc(CN[C@@H](C)c2cc(OC)c(OC)cc2F)n[nH]1 ZINC000160433297 522343509 /nfs/dbraw/zinc/34/35/09/522343509.db2.gz RAIHXHGRKFXXQN-VIFPVBQESA-N 0 1 308.357 2.374 20 70 DEIDMN CCc1nc(CN[C@@H](C)c2ccc(N3CCOC3=O)cc2)n[nH]1 ZINC000160386719 522349832 /nfs/dbraw/zinc/34/98/32/522349832.db2.gz VNFQNKDPFZZPOT-NSHDSACASA-N 0 1 315.377 2.175 20 70 DEIDMN CCc1nc(CN[C@H](C)c2cccc(N3CCOC3=O)c2)n[nH]1 ZINC000160387543 522354470 /nfs/dbraw/zinc/35/44/70/522354470.db2.gz FMPNSTJODOYWKN-LLVKDONJSA-N 0 1 315.377 2.175 20 70 DEIDMN Cc1ccc(F)c(N2CCC[C@H](N(C)C[C@H](O)C3CC3)C2=O)c1 ZINC000160752150 539587190 /nfs/dbraw/zinc/58/71/90/539587190.db2.gz FKQMRWMJAOBUMJ-RDJZCZTQSA-N 0 1 320.408 2.332 20 70 DEIDMN CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccc(C)nc2)c1 ZINC000161298351 539590276 /nfs/dbraw/zinc/59/02/76/539590276.db2.gz OZXDYNDCLBYNOI-CYBMUJFWSA-N 0 1 319.430 2.149 20 70 DEIDMN Cc1c(C(=O)N[C@H](C)c2nnc[nH]2)cnn1-c1cc(C)ccc1C ZINC000159835488 197367993 /nfs/dbraw/zinc/36/79/93/197367993.db2.gz JPOCUCSASPLMBF-GFCCVEGCSA-N 0 1 324.388 2.407 20 70 DEIDMN CN(CCn1ccnc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000159815669 197366674 /nfs/dbraw/zinc/36/66/74/197366674.db2.gz FENATODFNFWFJN-OAHLLOKOSA-N 0 1 318.808 2.274 20 70 DEIDMN CS(=O)(=O)NCC[C@H]1CCCCN1Cc1ccsc1 ZINC000159458343 197355430 /nfs/dbraw/zinc/35/54/30/197355430.db2.gz HKNJZOGLZASUHI-CYBMUJFWSA-N 0 1 302.465 2.042 20 70 DEIDMN COC[C@H](N)C(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000159440268 197353516 /nfs/dbraw/zinc/35/35/16/197353516.db2.gz HUOORQHOTNXTCH-GXTWGEPZSA-N 0 1 308.378 2.067 20 70 DEIDMN CCc1nc(CN(CCCO)Cc2cccc(Cl)c2)n[nH]1 ZINC000159370501 197348448 /nfs/dbraw/zinc/34/84/48/197348448.db2.gz LDTUPHKBDDZTMJ-UHFFFAOYSA-N 0 1 308.813 2.405 20 70 DEIDMN Cc1cccc2nc(CNC(=O)CNC(=O)OC(C)(C)C)[nH]c21 ZINC000160310535 402340343 /nfs/dbraw/zinc/34/03/43/402340343.db2.gz WGRQJXNIEILXIF-UHFFFAOYSA-N 0 1 318.377 2.012 20 70 DEIDMN CC[C@H](C)c1cc(C(=O)NCCCCN2CCOCC2)on1 ZINC000160681789 402356944 /nfs/dbraw/zinc/35/69/44/402356944.db2.gz NUKZKNXQLURQIK-ZDUSSCGKSA-N 0 1 309.410 2.030 20 70 DEIDMN O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000161471617 402388679 /nfs/dbraw/zinc/38/86/79/402388679.db2.gz DXJYKAWZTSLSLK-SJORKVTESA-N 0 1 302.418 2.336 20 70 DEIDMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000161471617 402388682 /nfs/dbraw/zinc/38/86/82/402388682.db2.gz DXJYKAWZTSLSLK-SJORKVTESA-N 0 1 302.418 2.336 20 70 DEIDMN C[C@@H](c1ccco1)[N@@H+](C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000159761033 402330342 /nfs/dbraw/zinc/33/03/42/402330342.db2.gz DZAMNUJAMCUGNF-LBPRGKRZSA-N 0 1 305.378 2.137 20 70 DEIDMN C[C@@H](c1ccco1)N(C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000159761033 402330343 /nfs/dbraw/zinc/33/03/43/402330343.db2.gz DZAMNUJAMCUGNF-LBPRGKRZSA-N 0 1 305.378 2.137 20 70 DEIDMN O=C(N[C@H]1CCOC2(CCCC2)C1)[C@H]1CCCc2[nH]ncc21 ZINC000160026850 402335423 /nfs/dbraw/zinc/33/54/23/402335423.db2.gz YCKLPAPBXKHFKF-STQMWFEESA-N 0 1 303.406 2.438 20 70 DEIDMN COc1cccc(OCCCN[C@@H](C(N)=O)c2ccccc2)c1 ZINC000160992718 526231220 /nfs/dbraw/zinc/23/12/20/526231220.db2.gz YQUMVRSKBIHASC-QGZVFWFLSA-N 0 1 314.385 2.280 20 70 DEIDMN [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc(Br)ccc2[O-])C1 ZINC000161197376 539589898 /nfs/dbraw/zinc/58/98/98/539589898.db2.gz IRTXDGWDRVIVPY-ZJUUUORDSA-N 0 1 313.195 2.154 20 70 DEIDMN CCCO[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000160731099 355966641 /nfs/dbraw/zinc/96/66/41/355966641.db2.gz IXRWHUNSYWORGQ-DLBZAZTESA-N 0 1 323.481 2.461 20 70 DEIDMN CCC[C@H](C(=O)Nc1ccc2c(c1)CCN2C(C)=O)N(C)C ZINC000161269888 197479800 /nfs/dbraw/zinc/47/98/00/197479800.db2.gz WNBWJWIOZQKZGT-MRXNPFEDSA-N 0 1 303.406 2.264 20 70 DEIDMN CC(C)(C)c1nsc(N2CCN(C3CCOCC3)CC2)n1 ZINC000159813834 197366035 /nfs/dbraw/zinc/36/60/35/197366035.db2.gz KHJKESRRVJYIFN-UHFFFAOYSA-N 0 1 310.467 2.137 20 70 DEIDMN O=C(CN[C@@H]1CCCOc2ccc(F)cc21)NCC(F)(F)F ZINC000160539957 402350120 /nfs/dbraw/zinc/35/01/20/402350120.db2.gz OPKNYAOBHDHIOU-LLVKDONJSA-N 0 1 320.286 2.308 20 70 DEIDMN CN1CCN(Cc2cccc(NC(=O)[C@@H]3CC3(C)C)c2)CC1 ZINC000161040466 402370172 /nfs/dbraw/zinc/37/01/72/402370172.db2.gz UXLQQWPIUPPMPL-INIZCTEOSA-N 0 1 301.434 2.419 20 70 DEIDMN CN(C)C(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000161078904 402372215 /nfs/dbraw/zinc/37/22/15/402372215.db2.gz AEWRSZGSFFWCFM-JTQLQIEISA-N 0 1 313.283 2.184 20 70 DEIDMN CCN(C)[C@@H](C(=O)N[C@@H](C)Cc1cc(C)n[nH]1)c1ccccc1 ZINC000161153849 402375418 /nfs/dbraw/zinc/37/54/18/402375418.db2.gz HPAXYMFAVVMEFO-SUMWQHHRSA-N 0 1 314.433 2.458 20 70 DEIDMN CN(C)[C@@H](CNC(=O)NOCc1cccnc1)c1cccs1 ZINC000160999225 522018849 /nfs/dbraw/zinc/01/88/49/522018849.db2.gz PGTGEZKRXFBJRW-ZDUSSCGKSA-N 0 1 320.418 2.177 20 70 DEIDMN CC[C@@H](C)OCC(=O)Nc1nc(-c2ccccc2OC)n[nH]1 ZINC000160539847 522254055 /nfs/dbraw/zinc/25/40/55/522254055.db2.gz GQCIMPQXHHKOTH-SNVBAGLBSA-N 0 1 304.350 2.234 20 70 DEIDMN COc1cc(CCNC(=O)[C@@H]2Cc3ccccc3CN2)ccc1C ZINC000160321477 522333682 /nfs/dbraw/zinc/33/36/82/522333682.db2.gz GYOPYCONXILZFZ-SFHVURJKSA-N 0 1 324.424 2.377 20 70 DEIDMN C[C@@H](O)CN(C)[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000159386083 525784867 /nfs/dbraw/zinc/78/48/67/525784867.db2.gz JLYXDFXUWMKEBM-ZJUUUORDSA-N 0 1 320.311 2.225 20 70 DEIDMN COc1ccc(CN(CCCCS(C)(=O)=O)C2CC2)cc1 ZINC000161244136 539590328 /nfs/dbraw/zinc/59/03/28/539590328.db2.gz FABBQGDEYABVIF-UHFFFAOYSA-N 0 1 311.447 2.484 20 70 DEIDMN CCCc1cc(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)n[nH]1 ZINC000160422622 539586317 /nfs/dbraw/zinc/58/63/17/539586317.db2.gz JVSQHPNYSXPXGT-UHFFFAOYSA-N 0 1 300.322 2.301 20 70 DEIDMN CCC(=O)N(C)c1ccccc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159403531 402322798 /nfs/dbraw/zinc/32/27/98/402322798.db2.gz VSAVIDQMYJANIY-OKILXGFUSA-N 0 1 315.417 2.026 20 70 DEIDMN CN(C(=O)Cc1n[nH]c2ccccc21)c1ccc2c(c1)OCO2 ZINC000160312040 402340676 /nfs/dbraw/zinc/34/06/76/402340676.db2.gz ALPALIVLFOVEDL-UHFFFAOYSA-N 0 1 309.325 2.497 20 70 DEIDMN CCc1cc(=O)[nH]c(CN2CCN(Cc3ccccc3)CC2)n1 ZINC000160469223 402347017 /nfs/dbraw/zinc/34/70/17/402347017.db2.gz HFVSWJSDSNYRGN-UHFFFAOYSA-N 0 1 312.417 2.062 20 70 DEIDMN C[C@@H]1CCC[C@@H](C(=O)N2CCC(CN3CCOCC3)CC2)C1 ZINC000160735946 402358864 /nfs/dbraw/zinc/35/88/64/402358864.db2.gz RPNFVJLDNJPEGA-NVXWUHKLSA-N 0 1 308.466 2.384 20 70 DEIDMN CS[C@H](C)CC(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000161117741 402373365 /nfs/dbraw/zinc/37/33/65/402373365.db2.gz NWFURXULPVMKDL-BARDWOONSA-N 0 1 314.495 2.228 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)c2cncc(OC(C)C)c2)n[nH]1 ZINC000161192467 402377184 /nfs/dbraw/zinc/37/71/84/402377184.db2.gz QOQSQKFOZKRHNN-LLVKDONJSA-N 0 1 302.378 2.261 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)c2ncccc2OCC(F)F)n[nH]1 ZINC000161277768 402380274 /nfs/dbraw/zinc/38/02/74/402380274.db2.gz KJAFMHMCQSRASD-SECBINFHSA-N 0 1 324.331 2.118 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)c2cncc(Br)c2)n[nH]1 ZINC000161356749 402384485 /nfs/dbraw/zinc/38/44/85/402384485.db2.gz XSGIYDIFCVZUKU-QMMMGPOBSA-N 0 1 323.194 2.237 20 70 DEIDMN Cc1nc2ccccn2c1CN1CCC(N2CCCC2=O)CC1 ZINC000159860666 402332248 /nfs/dbraw/zinc/33/22/48/402332248.db2.gz OOLLYPPLGPFEBZ-UHFFFAOYSA-N 0 1 312.417 2.230 20 70 DEIDMN CCOc1ccc(/C=C/C(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC000160088385 402336148 /nfs/dbraw/zinc/33/61/48/402336148.db2.gz FGAWOJLOBDIBSO-QJBCGIKSSA-N 0 1 300.402 2.451 20 70 DEIDMN CN(CCc1nccs1)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000160150615 402336854 /nfs/dbraw/zinc/33/68/54/402336854.db2.gz HEOQETZQEAQVTG-UHFFFAOYSA-N 0 1 313.386 2.243 20 70 DEIDMN CCc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)n[nH]1 ZINC000161508925 402389784 /nfs/dbraw/zinc/38/97/84/402389784.db2.gz LDLYDUVMQODZNC-LLVKDONJSA-N 0 1 322.409 2.054 20 70 DEIDMN O=C(C[C@@H]1CCOc2ccccc21)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159416356 274976923 /nfs/dbraw/zinc/97/69/23/274976923.db2.gz GAFFWJXHHZFRLJ-SOUVJXGZSA-N 0 1 300.402 2.296 20 70 DEIDMN COc1ccc(OCCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000161324269 539591022 /nfs/dbraw/zinc/59/10/22/539591022.db2.gz HHKQPGLECGNOGO-UHFFFAOYSA-N 0 1 313.401 2.291 20 70 DEIDMN C[C@@H](O)CN(C)[C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000159503932 197358922 /nfs/dbraw/zinc/35/89/22/197358922.db2.gz SOCPQFFLTBOFMD-ZJUUUORDSA-N 0 1 315.211 2.089 20 70 DEIDMN CCn1cnnc1[C@@H]1CCCN(Cc2cnc3ccccn23)C1 ZINC000159440947 197354566 /nfs/dbraw/zinc/35/45/66/197354566.db2.gz GZUGKIKAFBSIIV-CQSZACIVSA-N 0 1 310.405 2.325 20 70 DEIDMN CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1cccc2[nH]cnc21 ZINC000159483739 402324107 /nfs/dbraw/zinc/32/41/07/402324107.db2.gz IABNILZGQULCIK-CQSZACIVSA-N 0 1 314.389 2.036 20 70 DEIDMN O=C(CCNC(=O)c1cccc2nc[nH]c21)Nc1ccccc1 ZINC000159532769 402325162 /nfs/dbraw/zinc/32/51/62/402325162.db2.gz GHIAUEMGBUEFSQ-UHFFFAOYSA-N 0 1 308.341 2.322 20 70 DEIDMN C[C@@H](NCCS(=O)(=O)c1ccc(F)cc1)c1cccnc1 ZINC000160560532 402351193 /nfs/dbraw/zinc/35/11/93/402351193.db2.gz MNRIMVYDTTUDAT-GFCCVEGCSA-N 0 1 308.378 2.345 20 70 DEIDMN CC(C)[C@@H](CCO)NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000160701827 402357410 /nfs/dbraw/zinc/35/74/10/402357410.db2.gz DJCLZAQWBCAIQU-SJORKVTESA-N 0 1 304.434 2.174 20 70 DEIDMN CC(C)NC(=O)CN[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000160983513 402368096 /nfs/dbraw/zinc/36/80/96/402368096.db2.gz KFLDVGFITPQJQI-CQSZACIVSA-N 0 1 300.406 2.107 20 70 DEIDMN CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(F)cc3nc[nH]c32)C1 ZINC000161313226 402381939 /nfs/dbraw/zinc/38/19/39/402381939.db2.gz BLKDINOYJZIKJN-YGRLFVJLSA-N 0 1 304.369 2.161 20 70 DEIDMN COc1cc(/C=C/C(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc(OC)c1 ZINC000160319044 521930042 /nfs/dbraw/zinc/93/00/42/521930042.db2.gz MKFDCAOZWPBCRN-JRIJJQDJSA-N 0 1 316.401 2.070 20 70 DEIDMN COc1ccc(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)c(OC)c1 ZINC000161462545 523733689 /nfs/dbraw/zinc/73/36/89/523733689.db2.gz BXSDVDLRUORLKU-SNVBAGLBSA-N 0 1 303.362 2.096 20 70 DEIDMN CCc1ccc(OCC(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000161074522 524004232 /nfs/dbraw/zinc/00/42/32/524004232.db2.gz ASOYRFLWNUDKPS-GFCCVEGCSA-N 0 1 301.390 2.407 20 70 DEIDMN C[C@@H](CNC(=O)CC/C=C/c1ccccc1)N1CCN(C)CC1 ZINC000160151299 524645593 /nfs/dbraw/zinc/64/55/93/524645593.db2.gz WMMIRQFGTBUONE-BHMZLHOFSA-N 0 1 315.461 2.232 20 70 DEIDMN Cc1ncc([C@H](C)N[C@H](C)C(=O)NCc2ccccc2)c(C)n1 ZINC000161190846 527309694 /nfs/dbraw/zinc/30/96/94/527309694.db2.gz STCDLFNHRWUVJJ-GXTWGEPZSA-N 0 1 312.417 2.449 20 70 DEIDMN CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(C)nc2)cc1 ZINC000161321913 539591012 /nfs/dbraw/zinc/59/10/12/539591012.db2.gz SEBWAXRANLXAPI-CYBMUJFWSA-N 0 1 319.430 2.149 20 70 DEIDMN CS(=O)(=O)CCCCN1CCC(c2ccc(O)cc2)CC1 ZINC000161323959 539591083 /nfs/dbraw/zinc/59/10/83/539591083.db2.gz XOUUGDTVYMBBHG-UHFFFAOYSA-N 0 1 311.447 2.396 20 70 DEIDMN CC(C)[C@H]1CN(C)CCN1C(=O)NC[C@@H](C)Oc1ccccc1 ZINC000159938959 355962722 /nfs/dbraw/zinc/96/27/22/355962722.db2.gz DBTMWZSHLZRFBR-NVXWUHKLSA-N 0 1 319.449 2.436 20 70 DEIDMN C[C@@](O)(CNc1ncnc2[nH]cnc21)c1ccccc1Cl ZINC000160197455 197392534 /nfs/dbraw/zinc/39/25/34/197392534.db2.gz HBDBVJLMLZJFCC-CQSZACIVSA-N 0 1 303.753 2.326 20 70 DEIDMN CCCn1nc(C)c([C@H]2NC(=N)Nc3nc4ccccc4n32)c1C ZINC000160145238 197388681 /nfs/dbraw/zinc/38/86/81/197388681.db2.gz PWBIYOKGANDONH-HNNXBMFYSA-N 0 1 323.404 2.356 20 70 DEIDMN CCO[C@H](C)c1nc(CC(=O)N2C[C@H]3CCC[C@@H](C2)N3)cs1 ZINC000160390025 402343342 /nfs/dbraw/zinc/34/33/42/402343342.db2.gz XGSXJAPYISDOHR-UPJWGTAASA-N 0 1 323.462 2.136 20 70 DEIDMN CN(C)c1cccc(CN(C)C(=O)CN(C)[C@@H]2CCSC2)c1 ZINC000160613634 402353790 /nfs/dbraw/zinc/35/37/90/402353790.db2.gz RUWSVQDGEYSNMS-MRXNPFEDSA-N 0 1 321.490 2.148 20 70 DEIDMN COC(=O)c1csc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000160646511 402354818 /nfs/dbraw/zinc/35/48/18/402354818.db2.gz YATAALKQQQJSKD-GFCCVEGCSA-N 0 1 321.402 2.013 20 70 DEIDMN COc1ccc(/C=C/C(=O)N2C[C@H]3CCC[C@@H](C2)N3)c(OC)c1 ZINC000160750537 402358879 /nfs/dbraw/zinc/35/88/79/402358879.db2.gz DLIDKXJDNZEUGQ-LUVVUQNESA-N 0 1 316.401 2.070 20 70 DEIDMN COc1ccc(C)cc1/C=C/C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160074978 402335724 /nfs/dbraw/zinc/33/57/24/402335724.db2.gz RPYUMUGWEBSNGO-MLVTUZLNSA-N 0 1 300.402 2.370 20 70 DEIDMN CCOC(=O)C[C@@H](C)NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000160101783 402336356 /nfs/dbraw/zinc/33/63/56/402336356.db2.gz QDGXVLNOCSBKOB-GDBMZVCRSA-N 0 1 318.417 2.109 20 70 DEIDMN CC[C@H](C)OCC(=O)Nc1nc(-c2ccccc2OC)n[nH]1 ZINC000160539960 521755243 /nfs/dbraw/zinc/75/52/43/521755243.db2.gz GQCIMPQXHHKOTH-JTQLQIEISA-N 0 1 304.350 2.234 20 70 DEIDMN COc1cccc(CCC(=O)N[C@H](C)Cc2cc(C)[nH]n2)c1 ZINC000161381052 525883564 /nfs/dbraw/zinc/88/35/64/525883564.db2.gz BMQQYFRJUYQYJR-GFCCVEGCSA-N 0 1 301.390 2.407 20 70 DEIDMN Cc1ccc(F)c(N2CCC[C@@H](N(C)C[C@H](O)C3CC3)C2=O)c1 ZINC000160752288 539587318 /nfs/dbraw/zinc/58/73/18/539587318.db2.gz FKQMRWMJAOBUMJ-WBVHZDCISA-N 0 1 320.408 2.332 20 70 DEIDMN CSc1ccccc1NC(=O)[C@@H](C)N(C)C[C@H](O)C1CC1 ZINC000160767154 539587862 /nfs/dbraw/zinc/58/78/62/539587862.db2.gz DZGLJYFBYJNCPZ-RISCZKNCSA-N 0 1 308.447 2.438 20 70 DEIDMN COc1ccc2nc(C(=O)N3C[C@H]4CCC[C@@H](C3)N4)ccc2c1 ZINC000159380009 291653948 /nfs/dbraw/zinc/65/39/48/291653948.db2.gz CAVSEFQXIPZWOC-OKILXGFUSA-N 0 1 311.385 2.210 20 70 DEIDMN O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc2nc[nH]c21 ZINC000159482015 144796151 /nfs/dbraw/zinc/79/61/51/144796151.db2.gz DOHCWBAHDAJDTQ-OAHLLOKOSA-N 0 1 320.352 2.098 20 70 DEIDMN Cc1ccc2c(c1)OCCC[C@H]2NCC(=O)NCC(F)(F)F ZINC000160541153 402350108 /nfs/dbraw/zinc/35/01/08/402350108.db2.gz QHKNRMZRHJJHDV-GFCCVEGCSA-N 0 1 316.323 2.477 20 70 DEIDMN CCCN1CCN(C(=O)Nc2cc(C(=O)OC)cs2)CC1 ZINC000160787939 402361029 /nfs/dbraw/zinc/36/10/29/402361029.db2.gz FEPVFPDWGATDCC-UHFFFAOYSA-N 0 1 311.407 2.094 20 70 DEIDMN CCN(CC)[C@@H](CNC(=O)N1CCC[C@](C)(O)C1)c1ccco1 ZINC000161212419 402377405 /nfs/dbraw/zinc/37/74/05/402377405.db2.gz IDVCZXLZYALJEI-YOEHRIQHSA-N 0 1 323.437 2.219 20 70 DEIDMN COC(=O)Nc1ccc(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000161349022 402384219 /nfs/dbraw/zinc/38/42/19/402384219.db2.gz UDMYMVXRJYNKDT-JTQLQIEISA-N 0 1 316.361 2.257 20 70 DEIDMN COc1cc(CCC(=O)N[C@@H](C)c2nnc[nH]2)ccc1Cl ZINC000159835628 402331731 /nfs/dbraw/zinc/33/17/31/402331731.db2.gz LXZUMBLWBCWIMG-VIFPVBQESA-N 0 1 308.769 2.277 20 70 DEIDMN CCN(CC(=O)NCc1ccc(F)cc1)CC1=CCCOC1 ZINC000160235850 402338835 /nfs/dbraw/zinc/33/88/35/402338835.db2.gz CPCIZCXROWROBE-UHFFFAOYSA-N 0 1 306.381 2.111 20 70 DEIDMN CCOc1ccc(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1OC ZINC000161065548 520915444 /nfs/dbraw/zinc/91/54/44/520915444.db2.gz MGQQKPGJYHKRFA-LLVKDONJSA-N 0 1 317.389 2.486 20 70 DEIDMN CCOCCC1(CNC(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC000159993440 521690303 /nfs/dbraw/zinc/69/03/03/521690303.db2.gz LTPXJCXVALCFTQ-UHFFFAOYSA-N 0 1 314.389 2.408 20 70 DEIDMN COc1cc(CCNC(=O)[C@H]2Cc3ccccc3CN2)ccc1C ZINC000160321606 522335996 /nfs/dbraw/zinc/33/59/96/522335996.db2.gz GYOPYCONXILZFZ-GOSISDBHSA-N 0 1 324.424 2.377 20 70 DEIDMN CCc1ccc(OCC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000161074387 524004538 /nfs/dbraw/zinc/00/45/38/524004538.db2.gz ASOYRFLWNUDKPS-LBPRGKRZSA-N 0 1 301.390 2.407 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)COc2ccc(Cl)cc2)n[nH]1 ZINC000161203544 524829061 /nfs/dbraw/zinc/82/90/61/524829061.db2.gz WTBIGNNELKYRNC-JTQLQIEISA-N 0 1 307.781 2.498 20 70 DEIDMN O=C(CCc1ccc(F)cc1F)N1CCN(CC2CC2)CC1 ZINC000159530010 526590625 /nfs/dbraw/zinc/59/06/25/526590625.db2.gz CRTYBWNQDQTEON-UHFFFAOYSA-N 0 1 308.372 2.452 20 70 DEIDMN CN(CC(=O)N[C@@H](c1ccccc1)C1CC1)C[C@H]1CCC[C@@H]1O ZINC000159608575 186130556 /nfs/dbraw/zinc/13/05/56/186130556.db2.gz HBZJRQDPNNCMLP-AOIWGVFYSA-N 0 1 316.445 2.347 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)c2ccc(-n3cccn3)cc2)n[nH]1 ZINC000161112426 197465802 /nfs/dbraw/zinc/46/58/02/197465802.db2.gz OSVAPSHNSMVRCF-LBPRGKRZSA-N 0 1 309.373 2.265 20 70 DEIDMN C[C@@H](C(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1cccs1 ZINC000159912435 197372939 /nfs/dbraw/zinc/37/29/39/197372939.db2.gz VFGCPEPAAUTRRK-CABCVRRESA-N 0 1 322.474 2.422 20 70 DEIDMN COc1ccccc1[C@H](C)N[C@H](C)C(=O)NCC(F)(F)F ZINC000159838893 197367849 /nfs/dbraw/zinc/36/78/49/197367849.db2.gz DKHJWCOFCNNDRR-VHSXEESVSA-N 0 1 304.312 2.413 20 70 DEIDMN CN(CCn1ccnc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000159815799 197366193 /nfs/dbraw/zinc/36/61/93/197366193.db2.gz FENATODFNFWFJN-HNNXBMFYSA-N 0 1 318.808 2.274 20 70 DEIDMN C[C@@H](O)CN(C)[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000159470415 197356021 /nfs/dbraw/zinc/35/60/21/197356021.db2.gz HJOGBWVKBBMBJS-ZJUUUORDSA-N 0 1 304.312 2.345 20 70 DEIDMN Cc1nc(C)c(CCNC(=O)N2CCN(C)C[C@H]2C(C)C)s1 ZINC000159444318 197354663 /nfs/dbraw/zinc/35/46/63/197354663.db2.gz SUFBNZITAGXBMS-AWEZNQCLSA-N 0 1 324.494 2.284 20 70 DEIDMN O=C(C[C@H]1CSCCS1)Nc1nc(-c2ccccn2)n[nH]1 ZINC000160544346 402350544 /nfs/dbraw/zinc/35/05/44/402350544.db2.gz BRKMLJYFPZIVOI-VIFPVBQESA-N 0 1 321.431 2.044 20 70 DEIDMN CCc1nc2c(s1)[C@@H](NCC(=O)NCC(F)(F)F)CCC2 ZINC000160572906 402352094 /nfs/dbraw/zinc/35/20/94/402352094.db2.gz PRTPBNXYGVLWDA-QMMMGPOBSA-N 0 1 321.368 2.351 20 70 DEIDMN C[C@H]1Cc2ccc(F)cc2[C@H]1NCC(=O)NCC(F)(F)F ZINC000160630887 402354448 /nfs/dbraw/zinc/35/44/48/402354448.db2.gz ALMFOIGCZGNWKX-SDBXPKJASA-N 0 1 304.287 2.327 20 70 DEIDMN NC(=O)[C@H](NCCCOc1ccccc1)c1ccc(F)cc1 ZINC000160715099 402357734 /nfs/dbraw/zinc/35/77/34/402357734.db2.gz DUSQGVFIPFLHDC-MRXNPFEDSA-N 0 1 302.349 2.411 20 70 DEIDMN Cc1c([C@@H](C)NCC(=O)NC(C)C)cnn1-c1ccc(F)cc1 ZINC000161000767 402368948 /nfs/dbraw/zinc/36/89/48/402368948.db2.gz PCQVCZOIABAPDW-GFCCVEGCSA-N 0 1 318.396 2.495 20 70 DEIDMN O=C1[C@@H](N2CC[C@]3(CCOC3)C2)CCCN1c1ccccc1F ZINC000161025338 402369930 /nfs/dbraw/zinc/36/99/30/402369930.db2.gz LXLBMIDWRWWZSV-WMZOPIPTSA-N 0 1 318.392 2.434 20 70 DEIDMN CCc1cc(=O)[nH]c(CN2CCN(C)C[C@@H]2c2ccccc2)n1 ZINC000161329568 402382677 /nfs/dbraw/zinc/38/26/77/402382677.db2.gz DAQGRGQPDKFJDY-MRXNPFEDSA-N 0 1 312.417 2.233 20 70 DEIDMN CCN(CCOc1ccc(Br)cc1)[C@@H](C)C(N)=O ZINC000159654703 402327949 /nfs/dbraw/zinc/32/79/49/402327949.db2.gz OBLMSMSHPDWBDK-JTQLQIEISA-N 0 1 315.211 2.024 20 70 DEIDMN CCc1ccccc1C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000161373745 521811273 /nfs/dbraw/zinc/81/12/73/521811273.db2.gz QLVMJCAJADWOGP-HUUCEWRRSA-N 0 1 304.434 2.478 20 70 DEIDMN COCCN(Cc1c[nH]c(C(=O)OC)c1)Cc1ccccc1 ZINC000160449172 523739709 /nfs/dbraw/zinc/73/97/09/523739709.db2.gz MFKTUMCDBXDEAQ-UHFFFAOYSA-N 0 1 302.374 2.450 20 70 DEIDMN COc1ccc(OC)c(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c1 ZINC000161220088 524810456 /nfs/dbraw/zinc/81/04/56/524810456.db2.gz OGTSUUFPVQEIOW-JTQLQIEISA-N 0 1 303.362 2.096 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)[C@H](C)Sc2ccccn2)n[nH]1 ZINC000161304941 524832779 /nfs/dbraw/zinc/83/27/79/524832779.db2.gz YSOBRMXPOPUPLU-JQWIXIFHSA-N 0 1 304.419 2.341 20 70 DEIDMN C[C@@H](O)CN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000159507828 525785918 /nfs/dbraw/zinc/78/59/18/525785918.db2.gz IDTYDEBTQWCTBA-ILXRZTDVSA-N 0 1 318.461 2.444 20 70 DEIDMN CCOC(=O)C[C@H](C)NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000160101914 197386348 /nfs/dbraw/zinc/38/63/48/197386348.db2.gz QDGXVLNOCSBKOB-GOEBONIOSA-N 0 1 318.417 2.109 20 70 DEIDMN C[C@H](C(=O)N1CCC[C@H](CN2CCOCC2)C1)c1cccs1 ZINC000159912042 197372985 /nfs/dbraw/zinc/37/29/85/197372985.db2.gz VFGCPEPAAUTRRK-LSDHHAIUSA-N 0 1 322.474 2.422 20 70 DEIDMN C[C@@H]1CN(CCCNC(=O)N2CCC3(CCC3)C2)C[C@H](C)O1 ZINC000159808466 197365413 /nfs/dbraw/zinc/36/54/13/197365413.db2.gz WWMIPMJAXBPDTI-GASCZTMLSA-N 0 1 309.454 2.071 20 70 DEIDMN C[C@H]1CN(CCCNC(=O)N2CCC3(CCC3)C2)C[C@H](C)O1 ZINC000159808547 197365599 /nfs/dbraw/zinc/36/55/99/197365599.db2.gz WWMIPMJAXBPDTI-GJZGRUSLSA-N 0 1 309.454 2.071 20 70 DEIDMN CCOC(=O)CN(Cc1n[nH]c(CC)n1)[C@@H](C)c1ccccc1 ZINC000159516966 197359662 /nfs/dbraw/zinc/35/96/62/197359662.db2.gz CENPENLWFDRKSK-ZDUSSCGKSA-N 0 1 316.405 2.493 20 70 DEIDMN CC[C@@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)[C@H]1CCCO1 ZINC000161427532 402387179 /nfs/dbraw/zinc/38/71/79/402387179.db2.gz OXRONQISDUBQPF-ZIAGYGMSSA-N 0 1 300.362 2.159 20 70 DEIDMN CC[C@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)[C@H]1CCCO1 ZINC000161427444 402387204 /nfs/dbraw/zinc/38/72/04/402387204.db2.gz OXRONQISDUBQPF-UONOGXRCSA-N 0 1 300.362 2.159 20 70 DEIDMN Cc1nnc(SCC(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)[nH]1 ZINC000160533578 402349925 /nfs/dbraw/zinc/34/99/25/402349925.db2.gz IWTHVTQIKIPMOG-JTQLQIEISA-N 0 1 320.418 2.000 20 70 DEIDMN Cc1n[nH]c(SCC(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)n1 ZINC000160533578 402349927 /nfs/dbraw/zinc/34/99/27/402349927.db2.gz IWTHVTQIKIPMOG-JTQLQIEISA-N 0 1 320.418 2.000 20 70 DEIDMN C[C@H](NC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1)c1nnc[nH]1 ZINC000160925164 402366131 /nfs/dbraw/zinc/36/61/31/402366131.db2.gz YQPZTTCRZQQDPX-UBHSHLNASA-N 0 1 315.377 2.085 20 70 DEIDMN CC(C)NC(=O)CN[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000160983371 402368155 /nfs/dbraw/zinc/36/81/55/402368155.db2.gz KFLDVGFITPQJQI-AWEZNQCLSA-N 0 1 300.406 2.107 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)COC/C=C/c2ccccc2)n[nH]1 ZINC000161322799 402382727 /nfs/dbraw/zinc/38/27/27/402382727.db2.gz CIBAINYSDQHMPT-VIIAAUOXSA-N 0 1 313.401 2.495 20 70 DEIDMN CC[N@H+]1CCCN(C(=O)NC[C@H]2CCCO[C@@H]2C(C)C)CC1 ZINC000159950872 402334324 /nfs/dbraw/zinc/33/43/24/402334324.db2.gz GBMALENYLNCNDC-HZPDHXFCSA-N 0 1 311.470 2.175 20 70 DEIDMN CC[N@H+]1CCCN(C(=O)N[C@H]2COc3ccc(C)cc32)CC1 ZINC000160000070 402335091 /nfs/dbraw/zinc/33/50/91/402335091.db2.gz MTFVUTLIRCBSFN-HNNXBMFYSA-N 0 1 303.406 2.166 20 70 DEIDMN CC1(C)CCC(C(=O)N2CC[C@@H](CN3CCOCC3)C2)CC1 ZINC000160709222 275809684 /nfs/dbraw/zinc/80/96/84/275809684.db2.gz XCFROOAKFJPNFP-HNNXBMFYSA-N 0 1 308.466 2.384 20 70 DEIDMN CCc1nc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)n[nH]1 ZINC000160544798 522348341 /nfs/dbraw/zinc/34/83/41/522348341.db2.gz UTVZNZQLECTRJY-QGZVFWFLSA-N 0 1 314.389 2.379 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)c2cc(C(C)(C)C)nn2C)n[nH]1 ZINC000161355643 524825404 /nfs/dbraw/zinc/82/54/04/524825404.db2.gz MCKIENUVTJPJIB-SNVBAGLBSA-N 0 1 303.410 2.110 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)c2cc(C(C)(C)C)nn2C)n[nH]1 ZINC000161355782 524837064 /nfs/dbraw/zinc/83/70/64/524837064.db2.gz MCKIENUVTJPJIB-JTQLQIEISA-N 0 1 303.410 2.110 20 70 DEIDMN C[C@H](O)CN(C)[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000159385953 525742548 /nfs/dbraw/zinc/74/25/48/525742548.db2.gz JLYXDFXUWMKEBM-UWVGGRQHSA-N 0 1 320.311 2.225 20 70 DEIDMN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160541589 525940511 /nfs/dbraw/zinc/94/05/11/525940511.db2.gz QQXSVMQCHVTVAL-BNOWGMLFSA-N 0 1 308.809 2.460 20 70 DEIDMN CN(C[C@@H](O)C1CC1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000160794809 539587597 /nfs/dbraw/zinc/58/75/97/539587597.db2.gz LTVUSJLCVFEMEZ-HUUCEWRRSA-N 0 1 308.809 2.148 20 70 DEIDMN [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc(Br)ccc2[O-])C1 ZINC000161197279 539589926 /nfs/dbraw/zinc/58/99/26/539589926.db2.gz IRTXDGWDRVIVPY-NXEZZACHSA-N 0 1 313.195 2.154 20 70 DEIDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)C2CC2)CC1 ZINC000161200014 197474160 /nfs/dbraw/zinc/47/41/60/197474160.db2.gz VNEAGOQMYHJNOQ-ZDUSSCGKSA-N 0 1 302.422 2.411 20 70 DEIDMN CC[C@@H](C(=O)Nc1ccc(C(C)(C)C(=O)OC)cc1)N(C)C ZINC000160043288 197381851 /nfs/dbraw/zinc/38/18/51/197381851.db2.gz NXXJEGDIAMGCJZ-AWEZNQCLSA-N 0 1 306.406 2.416 20 70 DEIDMN COc1ccccc1[C@@H](C)N[C@H](C)C(=O)NCC(F)(F)F ZINC000159839170 197367883 /nfs/dbraw/zinc/36/78/83/197367883.db2.gz DKHJWCOFCNNDRR-NXEZZACHSA-N 0 1 304.312 2.413 20 70 DEIDMN Cc1c(C(=O)N2CCN(CC3CC3)CC2)cnn1CC(C)C ZINC000159482647 402323986 /nfs/dbraw/zinc/32/39/86/402323986.db2.gz GHMRXXXDMVZNFN-UHFFFAOYSA-N 0 1 304.438 2.015 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)c2ccncc2Br)n[nH]1 ZINC000161426205 402387172 /nfs/dbraw/zinc/38/71/72/402387172.db2.gz BOWMKUWQHQWSBV-QMMMGPOBSA-N 0 1 323.194 2.237 20 70 DEIDMN CCc1nc(C)c([C@H](C)NCC(=O)NCC(F)(F)F)s1 ZINC000160525032 402349456 /nfs/dbraw/zinc/34/94/56/402349456.db2.gz TZIWAEJBSDCVNJ-ZETCQYMHSA-N 0 1 309.357 2.343 20 70 DEIDMN C[C@H](C(=O)NCc1cccs1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160658145 402355582 /nfs/dbraw/zinc/35/55/82/402355582.db2.gz XLEARASHTYJRFM-CKEIUWERSA-N 0 1 322.474 2.380 20 70 DEIDMN C[C@H]1CCC[C@@H](C(=O)N2CCC(CN3CCOCC3)CC2)C1 ZINC000160736054 402358999 /nfs/dbraw/zinc/35/89/99/402358999.db2.gz RPNFVJLDNJPEGA-DOTOQJQBSA-N 0 1 308.466 2.384 20 70 DEIDMN COc1cc(C)ccc1OCC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000161351305 402383854 /nfs/dbraw/zinc/38/38/54/402383854.db2.gz RMUIDPFAZZPMQC-LBPRGKRZSA-N 0 1 317.389 2.161 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)n[nH]1 ZINC000161349806 402384258 /nfs/dbraw/zinc/38/42/58/402384258.db2.gz CHEAFXRWRGXSCI-RAQOOLMWSA-N 0 1 303.406 2.161 20 70 DEIDMN O=C(Oc1ccccc1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000161499659 402390021 /nfs/dbraw/zinc/39/00/21/402390021.db2.gz ASVDZSHXUBLDQG-MRXNPFEDSA-N 0 1 304.390 2.372 20 70 DEIDMN CC[C@H](Oc1ccccc1F)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159955668 281012682 /nfs/dbraw/zinc/01/26/82/281012682.db2.gz OZOIFENSBHGBMS-GUTXKFCHSA-N 0 1 306.381 2.336 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)c2ccc(Cn3ccnc3)cc2)n[nH]1 ZINC000161366429 524824420 /nfs/dbraw/zinc/82/44/20/524824420.db2.gz CRTBHETWCAJGRQ-CYBMUJFWSA-N 0 1 323.400 2.324 20 70 DEIDMN CCOc1ccc(NC(=O)[C@@H](C)N(C)C[C@H](O)C2CC2)cc1 ZINC000160743339 539587156 /nfs/dbraw/zinc/58/71/56/539587156.db2.gz SAGZRPKTDWZWFQ-WBMJQRKESA-N 0 1 306.406 2.115 20 70 DEIDMN CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(C)nc2)cc1 ZINC000161321778 539591190 /nfs/dbraw/zinc/59/11/90/539591190.db2.gz SEBWAXRANLXAPI-ZDUSSCGKSA-N 0 1 319.430 2.149 20 70 DEIDMN C[C@@H](O)CCN(C)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000159678279 186135081 /nfs/dbraw/zinc/13/50/81/186135081.db2.gz YLOZFTKVFYNKTA-QMTHXVAHSA-N 0 1 314.788 2.287 20 70 DEIDMN COc1cc2c(c(CN3CCC(CC(N)=O)CC3)c1)O[C@@H](C)C2 ZINC000159726433 186137716 /nfs/dbraw/zinc/13/77/16/186137716.db2.gz MPVVAEQURKEVHG-LBPRGKRZSA-N 0 1 318.417 2.106 20 70 DEIDMN Cc1onc(-c2ccccn2)c1C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000159917975 197374144 /nfs/dbraw/zinc/37/41/44/197374144.db2.gz AHZYBGJSPSIWPO-CYBMUJFWSA-N 0 1 314.389 2.211 20 70 DEIDMN O=C(CCc1cccc(OC2CCCC2)c1)N1CCNCC1 ZINC000159437536 197353698 /nfs/dbraw/zinc/35/36/98/197353698.db2.gz HKRKXCBBWOANSN-UHFFFAOYSA-N 0 1 302.418 2.372 20 70 DEIDMN CCc1nc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)n[nH]1 ZINC000159411505 402323493 /nfs/dbraw/zinc/32/34/93/402323493.db2.gz QBVXPCOXOSGAEE-NWDGAFQWSA-N 0 1 323.441 2.245 20 70 DEIDMN Cn1c(CNCCNC(=O)OC(C)(C)C)nc2ccccc21 ZINC000218321538 402295588 /nfs/dbraw/zinc/29/55/88/402295588.db2.gz LUMBKYKKQJNALO-UHFFFAOYSA-N 0 1 304.394 2.188 20 70 DEIDMN CN(C)C(=O)CN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000161229195 402378355 /nfs/dbraw/zinc/37/83/55/402378355.db2.gz RDOIZUBELHETQV-UHFFFAOYSA-N 0 1 318.396 2.168 20 70 DEIDMN Cc1cccc([C@@H]2CCC[N@H+]2C[C@H](O)COC[C@@H]2CCCO2)n1 ZINC000159998320 402335069 /nfs/dbraw/zinc/33/50/69/402335069.db2.gz FIBWIHKXYJBLNC-BQFCYCMXSA-N 0 1 320.433 2.083 20 70 DEIDMN O=C(/C=C/c1cnn(-c2ccccc2)c1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160078558 402335793 /nfs/dbraw/zinc/33/57/93/402335793.db2.gz GWTAVVXVIUMQOM-AEHISBCRSA-N 0 1 322.412 2.238 20 70 DEIDMN C[C@@H](N[C@@H](CN1CCCC1=O)c1ccccc1)c1cnn(C)c1 ZINC000160714512 287054031 /nfs/dbraw/zinc/05/40/31/287054031.db2.gz UZGBXBCEWSQDJN-PBHICJAKSA-N 0 1 312.417 2.434 20 70 DEIDMN COC(=O)c1oc([C@H](C)N2CCC[C@H](CNC(C)=O)C2)cc1C ZINC000159781355 522406388 /nfs/dbraw/zinc/40/63/88/522406388.db2.gz IEOIDNUPFUHWHB-GXTWGEPZSA-N 0 1 322.405 2.284 20 70 DEIDMN COCCOc1cccc(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c1 ZINC000161200550 524053447 /nfs/dbraw/zinc/05/34/47/524053447.db2.gz DJIGUNPFJOHTTQ-LBPRGKRZSA-N 0 1 317.389 2.104 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)c2ccc(OC(C)C)nc2)n[nH]1 ZINC000161248422 524825516 /nfs/dbraw/zinc/82/55/16/524825516.db2.gz HPLPUDIEOUHPRD-LLVKDONJSA-N 0 1 302.378 2.261 20 70 DEIDMN C[C@H](NCc1ccccc1CN1CCOCC1)c1cnccn1 ZINC000160460684 525463504 /nfs/dbraw/zinc/46/35/04/525463504.db2.gz IPLQEHKZIHFXJI-HNNXBMFYSA-N 0 1 312.417 2.160 20 70 DEIDMN Cc1ccc(-c2n[nH]c(NC(=O)CCN3CCCC3=O)c2C)o1 ZINC000161480679 539592008 /nfs/dbraw/zinc/59/20/08/539592008.db2.gz PSHRZHGFMHMRSL-UHFFFAOYSA-N 0 1 316.361 2.238 20 70 DEIDMN Cc1cc(F)cc(C)c1S(=O)(=O)NC[C@@H](C)N(C)C1CC1 ZINC000217894654 539726953 /nfs/dbraw/zinc/72/69/53/539726953.db2.gz NWMWREOSIYVXES-GFCCVEGCSA-N 0 1 314.426 2.204 20 70 DEIDMN O=C1[C@H](Sc2nc(C3CC3)n[nH]2)CCCN1CC(F)(F)F ZINC000159537842 402325434 /nfs/dbraw/zinc/32/54/34/402325434.db2.gz WAOOATHZXNBKFC-MRVPVSSYSA-N 0 1 320.340 2.328 20 70 DEIDMN O=C1[C@H](Sc2n[nH]c(C3CC3)n2)CCCN1CC(F)(F)F ZINC000159537842 402325437 /nfs/dbraw/zinc/32/54/37/402325437.db2.gz WAOOATHZXNBKFC-MRVPVSSYSA-N 0 1 320.340 2.328 20 70 DEIDMN CC(=O)c1cccc(O[C@@H](C)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)c1 ZINC000160641898 402355127 /nfs/dbraw/zinc/35/51/27/402355127.db2.gz IIQZGCUIPGNGER-CWRNSKLLSA-N 0 1 316.401 2.009 20 70 DEIDMN C[C@H]1CCC[C@H](C(=O)N2CCC(CN3CCOCC3)CC2)C1 ZINC000160735808 402359030 /nfs/dbraw/zinc/35/90/30/402359030.db2.gz RPNFVJLDNJPEGA-RDJZCZTQSA-N 0 1 308.466 2.384 20 70 DEIDMN CCc1c(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)[nH]c(C)c1C(C)=O ZINC000161140333 402374815 /nfs/dbraw/zinc/37/48/15/402374815.db2.gz YNZBNTKQAGSKAB-SECBINFHSA-N 0 1 316.405 2.481 20 70 DEIDMN O=C(CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2)c1ccc(F)cc1 ZINC000160145136 402337023 /nfs/dbraw/zinc/33/70/23/402337023.db2.gz SDPGNCKGYVTLHI-GASCZTMLSA-N 0 1 304.365 2.142 20 70 DEIDMN C[C@H](c1ccco1)N(C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000159761157 278314297 /nfs/dbraw/zinc/31/42/97/278314297.db2.gz DZAMNUJAMCUGNF-GFCCVEGCSA-N 0 1 305.378 2.137 20 70 DEIDMN CCc1nc(-c2ccccc2NC(=O)CN(C)C(C)C)n[nH]1 ZINC000161340828 522119643 /nfs/dbraw/zinc/11/96/43/522119643.db2.gz QYKNTHZTWNVVGA-UHFFFAOYSA-N 0 1 301.394 2.313 20 70 DEIDMN COc1cc(C)cc(CNC(=O)N[C@H](C)Cc2cc(C)[nH]n2)c1 ZINC000160749328 522240585 /nfs/dbraw/zinc/24/05/85/522240585.db2.gz NFEUJERJIKFNPG-GFCCVEGCSA-N 0 1 316.405 2.466 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)[C@H](C)Sc2ccccn2)n[nH]1 ZINC000161304858 524824986 /nfs/dbraw/zinc/82/49/86/524824986.db2.gz YSOBRMXPOPUPLU-PWSUYJOCSA-N 0 1 304.419 2.341 20 70 DEIDMN CN(CC(=O)N1CCCc2ccccc21)C[C@@H]1CCC[C@@H]1O ZINC000159569156 186127831 /nfs/dbraw/zinc/12/78/31/186127831.db2.gz BNFZFIAZPLALAA-RDJZCZTQSA-N 0 1 302.418 2.059 20 70 DEIDMN Cc1nnc(CSc2nc(-c3ccccc3F)n[nH]2)n1C ZINC000160934659 355967518 /nfs/dbraw/zinc/96/75/18/355967518.db2.gz GXKMZRYNYYPTBM-UHFFFAOYSA-N 0 1 304.354 2.340 20 70 DEIDMN C[C@H](NC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1)c1nnc[nH]1 ZINC000160924903 197450551 /nfs/dbraw/zinc/45/05/51/197450551.db2.gz YQPZTTCRZQQDPX-YUTCNCBUSA-N 0 1 315.377 2.085 20 70 DEIDMN C[C@@H](NCC(=O)NCC(F)(F)F)c1ccc(F)cc1N(C)C ZINC000160600193 197424989 /nfs/dbraw/zinc/42/49/89/197424989.db2.gz WABPXLPCUPQZKR-SECBINFHSA-N 0 1 321.318 2.221 20 70 DEIDMN NC(=O)CC1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000159840145 197368329 /nfs/dbraw/zinc/36/83/29/197368329.db2.gz UHITVCNQISWYFA-UHFFFAOYSA-N 0 1 316.380 2.099 20 70 DEIDMN CCOc1cc(CNC(=O)[C@H](N)c2ccccc2)ccc1OC ZINC000159587559 402326342 /nfs/dbraw/zinc/32/63/42/402326342.db2.gz RRVATXXNFLNFJP-QGZVFWFLSA-N 0 1 314.385 2.410 20 70 DEIDMN C[C@@H]1CCCN1C(=O)CCN1CCN(c2cccs2)CC1 ZINC000160312367 402340693 /nfs/dbraw/zinc/34/06/93/402340693.db2.gz VPNCVIHAVGPWOV-CQSZACIVSA-N 0 1 307.463 2.271 20 70 DEIDMN CC(C)c1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCCCC2=O)n[nH]1 ZINC000160476156 402347044 /nfs/dbraw/zinc/34/70/44/402347044.db2.gz NLUATJGQLVBYRT-WFASDCNBSA-N 0 1 319.405 2.133 20 70 DEIDMN CC1(C)C[C@@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)CCO1 ZINC000160623669 402354442 /nfs/dbraw/zinc/35/44/42/402354442.db2.gz RZEBANFKDJSGNH-ZDUSSCGKSA-N 0 1 300.362 2.159 20 70 DEIDMN C[C@H]1CC(=O)CC[C@@H]1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000160926387 402365889 /nfs/dbraw/zinc/36/58/89/402365889.db2.gz PKOSIUUKWKMVAN-JQFCIGGWSA-N 0 1 302.418 2.411 20 70 DEIDMN CCOc1cccc(CCNC(=O)C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000161472791 402388512 /nfs/dbraw/zinc/38/85/12/402388512.db2.gz XFXKMAZPRNUBMF-HNNXBMFYSA-N 0 1 322.474 2.181 20 70 DEIDMN CCOc1cccc(CCNC(=O)CN(C)[C@H]2CCSC2)c1 ZINC000161472791 402388514 /nfs/dbraw/zinc/38/85/14/402388514.db2.gz XFXKMAZPRNUBMF-HNNXBMFYSA-N 0 1 322.474 2.181 20 70 DEIDMN COc1cccc(OCCCNC(=O)[C@H](N)c2ccccc2)c1 ZINC000161360326 402384330 /nfs/dbraw/zinc/38/43/30/402384330.db2.gz FBSHGAQWVVXJKF-QGZVFWFLSA-N 0 1 314.385 2.280 20 70 DEIDMN O=C(Nc1cccc2c1OCCO2)c1cccc(-c2nnc[nH]2)c1 ZINC000161498148 402389095 /nfs/dbraw/zinc/38/90/95/402389095.db2.gz VSQVDKPCMQLLHR-UHFFFAOYSA-N 0 1 322.324 2.495 20 70 DEIDMN Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c[nH]c1=O ZINC000159770910 402330410 /nfs/dbraw/zinc/33/04/10/402330410.db2.gz VWRHWKCWYLMOEW-INIZCTEOSA-N 0 1 311.385 2.286 20 70 DEIDMN Cc1cc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)c[nH]c1=O ZINC000159770910 402330412 /nfs/dbraw/zinc/33/04/12/402330412.db2.gz VWRHWKCWYLMOEW-INIZCTEOSA-N 0 1 311.385 2.286 20 70 DEIDMN CCc1nc(CN2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)n[nH]1 ZINC000160241080 402338743 /nfs/dbraw/zinc/33/87/43/402338743.db2.gz OORCWEHNBGFCGX-NWDGAFQWSA-N 0 1 323.441 2.197 20 70 DEIDMN CCN(C)[C@H](C(=O)N[C@@H](C)Cc1cc(C)n[nH]1)c1ccccc1 ZINC000161153722 520272794 /nfs/dbraw/zinc/27/27/94/520272794.db2.gz HPAXYMFAVVMEFO-GUYCJALGSA-N 0 1 314.433 2.458 20 70 DEIDMN COc1cc(CC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)ccc1C ZINC000161239707 522319751 /nfs/dbraw/zinc/31/97/51/522319751.db2.gz JXNVKMLCROSKKD-LBPRGKRZSA-N 0 1 301.390 2.325 20 70 DEIDMN COc1ccc(CC(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1OC ZINC000161198702 523906294 /nfs/dbraw/zinc/90/62/94/523906294.db2.gz UXVACLPIPYIQOM-LLVKDONJSA-N 0 1 317.389 2.025 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)Nc2cnn(CC(C)C)c2)n[nH]1 ZINC000161341903 524834888 /nfs/dbraw/zinc/83/48/88/524834888.db2.gz OEYJHDGSAHYWLK-NSHDSACASA-N 0 1 304.398 2.323 20 70 DEIDMN COc1ccccc1[C@H](C)N[C@@H](C)C(=O)NCC(F)(F)F ZINC000159838758 197368237 /nfs/dbraw/zinc/36/82/37/197368237.db2.gz DKHJWCOFCNNDRR-UWVGGRQHSA-N 0 1 304.312 2.413 20 70 DEIDMN Cc1noc(Cl)c1CC(=O)N1CCN(C2CCCC2)CC1 ZINC000159827342 197367417 /nfs/dbraw/zinc/36/74/17/197367417.db2.gz FECYANHXWKSWBB-UHFFFAOYSA-N 0 1 311.813 2.266 20 70 DEIDMN CCc1nc(CN(Cc2ccccc2)[C@@H](CO)C2CC2)n[nH]1 ZINC000159515685 197360203 /nfs/dbraw/zinc/36/02/03/197360203.db2.gz GJZCRUFVYQOLCJ-HNNXBMFYSA-N 0 1 300.406 2.140 20 70 DEIDMN CCN1CCN([C@H]2CCN(c3nc(C(C)(C)C)ns3)C2)CC1 ZINC000159370440 197348612 /nfs/dbraw/zinc/34/86/12/197348612.db2.gz QAADDKIDIQNKIO-ZDUSSCGKSA-N 0 1 323.510 2.052 20 70 DEIDMN Cc1cccn2cc(CNC(=O)c3cccc4nc[nH]c43)nc12 ZINC000159456126 402323838 /nfs/dbraw/zinc/32/38/38/402323838.db2.gz WEFJODRKBZPZPW-UHFFFAOYSA-N 0 1 305.341 2.449 20 70 DEIDMN CC[C@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)[C@@H]1CCCO1 ZINC000161427284 402386967 /nfs/dbraw/zinc/38/69/67/402386967.db2.gz OXRONQISDUBQPF-KBPBESRZSA-N 0 1 300.362 2.159 20 70 DEIDMN O=C(Nc1nnc(C2CC2)s1)c1cccc(-c2nnc[nH]2)c1 ZINC000161036943 402370498 /nfs/dbraw/zinc/37/04/98/402370498.db2.gz XMKCCGFUUMSIKC-UHFFFAOYSA-N 0 1 312.358 2.453 20 70 DEIDMN CC[C@@H](C(=O)N(CC)CC(=O)Nc1c(C)cccc1C)N(C)C ZINC000161101677 402372801 /nfs/dbraw/zinc/37/28/01/402372801.db2.gz IUWAHVIQXMJSLR-HNNXBMFYSA-N 0 1 319.449 2.431 20 70 DEIDMN CCN(Cc1cnn(C)c1)C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000161145541 402375518 /nfs/dbraw/zinc/37/55/18/402375518.db2.gz AYUNZJCJQMDSBM-QGZVFWFLSA-N 0 1 317.433 2.299 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)c2cc(Br)c[nH]2)n[nH]1 ZINC000161213520 402377661 /nfs/dbraw/zinc/37/76/61/402377661.db2.gz CPDJCLLHIWFINM-SSDOTTSWSA-N 0 1 311.183 2.170 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)c2csc([C@@H]3CCCO3)n2)n[nH]1 ZINC000160158423 402337294 /nfs/dbraw/zinc/33/72/94/402337294.db2.gz LYBQXQBJXJXCAN-ZANVPECISA-N 0 1 320.418 2.387 20 70 DEIDMN CCN(CCNS(=O)(=O)c1c(C)cc(F)cc1C)C1CC1 ZINC000217886773 539726561 /nfs/dbraw/zinc/72/65/61/539726561.db2.gz FPDOKFFWZXYSDD-UHFFFAOYSA-N 0 1 314.426 2.205 20 70 DEIDMN Cc1onc(-c2ccccn2)c1C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000159918125 197374363 /nfs/dbraw/zinc/37/43/63/197374363.db2.gz AHZYBGJSPSIWPO-ZDUSSCGKSA-N 0 1 314.389 2.211 20 70 DEIDMN C[C@H](O)C[C@H](CNC(=O)c1ccc2[nH]nnc2c1)c1ccccc1 ZINC000159402449 197350893 /nfs/dbraw/zinc/35/08/93/197350893.db2.gz HAOAPKDTDQJYIM-SWLSCSKDSA-N 0 1 324.384 2.242 20 70 DEIDMN C[C@@H](O)C[C@H](CNC(=O)c1ccc2[nH]nnc2c1)c1ccccc1 ZINC000159402576 197350336 /nfs/dbraw/zinc/35/03/36/197350336.db2.gz HAOAPKDTDQJYIM-IUODEOHRSA-N 0 1 324.384 2.242 20 70 DEIDMN C[C@H]1CCCN1C(=O)CCN1CCN(c2cccs2)CC1 ZINC000160312501 402340327 /nfs/dbraw/zinc/34/03/27/402340327.db2.gz VPNCVIHAVGPWOV-AWEZNQCLSA-N 0 1 307.463 2.271 20 70 DEIDMN CCc1cc(N(C)Cc2nc(=O)c3sccc3[n-]2)nc(C)[nH+]1 ZINC000160647584 402355589 /nfs/dbraw/zinc/35/55/89/402355589.db2.gz NGQCIILEYJWFSH-UHFFFAOYSA-N 0 1 315.402 2.282 20 70 DEIDMN CCC(CC)c1cc(C(=O)NCCCCN2CCOCC2)on1 ZINC000160677173 402356938 /nfs/dbraw/zinc/35/69/38/402356938.db2.gz PQMDLVJYGRBDRV-UHFFFAOYSA-N 0 1 323.437 2.420 20 70 DEIDMN NC(=O)[C@@H](NCCCOc1ccccc1)c1ccc(F)cc1 ZINC000160714955 402358073 /nfs/dbraw/zinc/35/80/73/402358073.db2.gz DUSQGVFIPFLHDC-INIZCTEOSA-N 0 1 302.349 2.411 20 70 DEIDMN CC(C)CCn1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000160882370 402364097 /nfs/dbraw/zinc/36/40/97/402364097.db2.gz QQMNMFYEIDBWHF-CQSZACIVSA-N 0 1 307.442 2.393 20 70 DEIDMN CC(C)NC(=O)CN[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000160918889 402365471 /nfs/dbraw/zinc/36/54/71/402365471.db2.gz LDYDCODRFSGGKX-GFCCVEGCSA-N 0 1 318.421 2.146 20 70 DEIDMN CCCC[C@H](NCc1cnn(C)c1)C(=O)Nc1cc(C)on1 ZINC000161141303 402374576 /nfs/dbraw/zinc/37/45/76/402374576.db2.gz XXMCCPXWMMVVIT-ZDUSSCGKSA-N 0 1 305.382 2.004 20 70 DEIDMN CCN(Cc1cnn(C)c1)C[C@H](O)COc1cc(C)ccc1C ZINC000161135487 402374606 /nfs/dbraw/zinc/37/46/06/402374606.db2.gz YWQDYECRTYKTLC-KRWDZBQOSA-N 0 1 317.433 2.299 20 70 DEIDMN COc1ccc(-c2n[nH]c(CNC(=O)NC3(C)CCC3)n2)cc1 ZINC000161477198 402388883 /nfs/dbraw/zinc/38/88/83/402388883.db2.gz HCKDLTVFNFEGQJ-UHFFFAOYSA-N 0 1 315.377 2.222 20 70 DEIDMN COc1ccc(-c2nc(CNC(=O)NC3(C)CCC3)n[nH]2)cc1 ZINC000161477198 402388885 /nfs/dbraw/zinc/38/88/85/402388885.db2.gz HCKDLTVFNFEGQJ-UHFFFAOYSA-N 0 1 315.377 2.222 20 70 DEIDMN CCOCCCN1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000160185444 402337590 /nfs/dbraw/zinc/33/75/90/402337590.db2.gz GCZRFKOZCWHASF-UHFFFAOYSA-N 0 1 304.434 2.108 20 70 DEIDMN CCN(C)C(=O)CCN1CCO[C@]2(CCc3ccccc32)C1 ZINC000159677881 276302307 /nfs/dbraw/zinc/30/23/07/276302307.db2.gz QVOFCPRGXBRLSY-GOSISDBHSA-N 0 1 302.418 2.029 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)COc2cc(C)ccc2C)n[nH]1 ZINC000161204443 524827280 /nfs/dbraw/zinc/82/72/80/524827280.db2.gz VHSVGOCSSFLMFO-ZDUSSCGKSA-N 0 1 301.390 2.461 20 70 DEIDMN C[C@@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1cnn(C)c1 ZINC000160714783 525667815 /nfs/dbraw/zinc/66/78/15/525667815.db2.gz UZGBXBCEWSQDJN-RHSMWYFYSA-N 0 1 312.417 2.434 20 70 DEIDMN C[C@H](CC(=O)c1cccs1)NC(=O)c1[nH]nc2c1CCC2 ZINC000160934106 526255676 /nfs/dbraw/zinc/25/56/76/526255676.db2.gz QJCHGHHJSASOOA-SECBINFHSA-N 0 1 303.387 2.351 20 70 DEIDMN COc1cccc(OCCCNC(=O)[C@@H](N)c2ccccc2)c1 ZINC000161360458 537133914 /nfs/dbraw/zinc/13/39/14/537133914.db2.gz FBSHGAQWVVXJKF-KRWDZBQOSA-N 0 1 314.385 2.280 20 70 DEIDMN CC(C)CCn1ccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)n1 ZINC000159548065 186126313 /nfs/dbraw/zinc/12/63/13/186126313.db2.gz AATJQYKTYIYUBX-OAHLLOKOSA-N 0 1 317.437 2.407 20 70 DEIDMN C[C@](O)(CNc1ccncc1C(N)=O)c1ccccc1Cl ZINC000160157887 197390119 /nfs/dbraw/zinc/39/01/19/197390119.db2.gz KKCFBEXPPGYWKJ-HNNXBMFYSA-N 0 1 305.765 2.154 20 70 DEIDMN C[C@H](C(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1cccs1 ZINC000159912302 197372757 /nfs/dbraw/zinc/37/27/57/197372757.db2.gz VFGCPEPAAUTRRK-GJZGRUSLSA-N 0 1 322.474 2.422 20 70 DEIDMN C[C@@H](O)CN(C)[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000159364194 197347581 /nfs/dbraw/zinc/34/75/81/197347581.db2.gz VXROTQLJCFPNJO-ZJUUUORDSA-N 0 1 304.312 2.345 20 70 DEIDMN Cn1cnnc1CN1CCN(Cc2cccc3ccccc32)CC1 ZINC000160708997 402357763 /nfs/dbraw/zinc/35/77/63/402357763.db2.gz LUVRKIPBCGTDMK-UHFFFAOYSA-N 0 1 321.428 2.286 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)c2cccc(-n3ccnc3)c2)n[nH]1 ZINC000161167250 402375759 /nfs/dbraw/zinc/37/57/59/402375759.db2.gz SRDCOOOHRCJVIP-LBPRGKRZSA-N 0 1 309.373 2.265 20 70 DEIDMN CCCCNC(=O)CCN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159628285 402326897 /nfs/dbraw/zinc/32/68/97/402326897.db2.gz CRKUHHRTXPLISZ-IBGZPJMESA-N 0 1 316.445 2.467 20 70 DEIDMN O=C(Oc1ccccc1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000161499536 402389969 /nfs/dbraw/zinc/38/99/69/402389969.db2.gz ASVDZSHXUBLDQG-INIZCTEOSA-N 0 1 304.390 2.372 20 70 DEIDMN CCC(=O)Nc1cccc(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)c1 ZINC000161369733 521225810 /nfs/dbraw/zinc/22/58/10/521225810.db2.gz OLTQAMNIWXSACK-LLVKDONJSA-N 0 1 314.389 2.428 20 70 DEIDMN CCc1nc(-c2ccccc2NC(=O)Cc2cc(C)[nH]n2)n[nH]1 ZINC000161057605 522120232 /nfs/dbraw/zinc/12/02/32/522120232.db2.gz DWHWEVDHMUEXBT-UHFFFAOYSA-N 0 1 310.361 2.247 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)CCCNC(=O)OC(C)(C)C)n[nH]1 ZINC000161102242 524829223 /nfs/dbraw/zinc/82/92/23/524829223.db2.gz ZSNXRBKMVMBVED-NSHDSACASA-N 0 1 324.425 2.070 20 70 DEIDMN CSc1ccc(NC(=O)[C@@H](C)N(C)C[C@H](O)C2CC2)cc1 ZINC000160788950 539587681 /nfs/dbraw/zinc/58/76/81/539587681.db2.gz ACZWPHCKJSEIMQ-ABAIWWIYSA-N 0 1 308.447 2.438 20 70 DEIDMN CC[C@H](NCC(C)(C)NS(C)(=O)=O)c1ccc(F)cc1F ZINC000160902899 355966704 /nfs/dbraw/zinc/96/67/04/355966704.db2.gz FRORKERXTOGBLB-ZDUSSCGKSA-N 0 1 320.405 2.333 20 70 DEIDMN Cc1noc(C)c1C[C@@H](C)NC(=O)[C@@H]1NCCc2ccccc21 ZINC000160224770 197393617 /nfs/dbraw/zinc/39/36/17/197393617.db2.gz SAWKJRBPDADZLF-PIGZYNQJSA-N 0 1 313.401 2.226 20 70 DEIDMN COc1cccc([C@@H](C)N[C@@H](C)C(=O)NCC(F)(F)F)c1 ZINC000159838149 197367960 /nfs/dbraw/zinc/36/79/60/197367960.db2.gz UKRWFHDKJBAFPM-ZJUUUORDSA-N 0 1 304.312 2.413 20 70 DEIDMN COCCN(CCNCc1cncs1)C(=O)OC(C)(C)C ZINC000218136285 402294975 /nfs/dbraw/zinc/29/49/75/402294975.db2.gz JKAZKYSDUNBJKB-UHFFFAOYSA-N 0 1 315.439 2.116 20 70 DEIDMN c1nc2ccccn2c1CN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000160442723 402345933 /nfs/dbraw/zinc/34/59/33/402345933.db2.gz HKVSFBGBTUXXAY-AWEZNQCLSA-N 0 1 322.416 2.252 20 70 DEIDMN CCc1nc(C)c([C@@H](C)NCC(=O)NCC(F)(F)F)s1 ZINC000160524920 402349567 /nfs/dbraw/zinc/34/95/67/402349567.db2.gz TZIWAEJBSDCVNJ-SSDOTTSWSA-N 0 1 309.357 2.343 20 70 DEIDMN CCC(=O)c1ccc(OCC(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC000160733420 402358316 /nfs/dbraw/zinc/35/83/16/402358316.db2.gz RPBBZXGIXQFXHV-GASCZTMLSA-N 0 1 316.401 2.011 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)c2cc(Br)c[nH]2)n[nH]1 ZINC000161213631 402377654 /nfs/dbraw/zinc/37/76/54/402377654.db2.gz CPDJCLLHIWFINM-ZETCQYMHSA-N 0 1 311.183 2.170 20 70 DEIDMN COc1cccc(OC)c1C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000161331662 402383490 /nfs/dbraw/zinc/38/34/90/402383490.db2.gz XICNKHOQHFUZAF-JTQLQIEISA-N 0 1 303.362 2.096 20 70 DEIDMN O=C(NC[C@H]1Cc2ccccc2O1)c1cccc(-c2nnc[nH]2)c1 ZINC000159994176 402335135 /nfs/dbraw/zinc/33/51/35/402335135.db2.gz QDAIQOYCHJTADV-OAHLLOKOSA-N 0 1 320.352 2.205 20 70 DEIDMN C[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2)C(=O)c1cccc(F)c1 ZINC000160186364 402337688 /nfs/dbraw/zinc/33/76/88/402337688.db2.gz OUQWKFQIOIGHIB-WQVCFCJDSA-N 0 1 318.392 2.388 20 70 DEIDMN CCOc1ccc(OCC(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000161339719 521165600 /nfs/dbraw/zinc/16/56/00/521165600.db2.gz VCONZKDFMUTVMI-GFCCVEGCSA-N 0 1 317.389 2.243 20 70 DEIDMN CCc1nc(CN(Cc2ccccc2)[C@H](CO)C2CC2)n[nH]1 ZINC000159515817 522293794 /nfs/dbraw/zinc/29/37/94/522293794.db2.gz GJZCRUFVYQOLCJ-OAHLLOKOSA-N 0 1 300.406 2.140 20 70 DEIDMN COc1ccc(CC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1OC ZINC000161198830 523903528 /nfs/dbraw/zinc/90/35/28/523903528.db2.gz UXVACLPIPYIQOM-NSHDSACASA-N 0 1 317.389 2.025 20 70 DEIDMN COc1ccc(OC)c(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)c1 ZINC000161219977 524808470 /nfs/dbraw/zinc/80/84/70/524808470.db2.gz OGTSUUFPVQEIOW-SNVBAGLBSA-N 0 1 303.362 2.096 20 70 DEIDMN CCn1cnnc1[C@H]1CCCN(Cc2cnc3ccccn23)C1 ZINC000159441057 197354254 /nfs/dbraw/zinc/35/42/54/197354254.db2.gz GZUGKIKAFBSIIV-AWEZNQCLSA-N 0 1 310.405 2.325 20 70 DEIDMN CC(=O)Nc1ccc(CCNC(=O)c2cccc3nc[nH]c32)cc1 ZINC000159407273 402322783 /nfs/dbraw/zinc/32/27/83/402322783.db2.gz OYARDRRBMSMJBD-UHFFFAOYSA-N 0 1 322.368 2.494 20 70 DEIDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CSCCS3)n2)o1 ZINC000160329755 402340973 /nfs/dbraw/zinc/34/09/73/402340973.db2.gz XWGCQTZOAQLZOQ-VIFPVBQESA-N 0 1 310.404 2.160 20 70 DEIDMN NC(=O)[C@@H]1CCCN1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000160341428 402341629 /nfs/dbraw/zinc/34/16/29/402341629.db2.gz AILHCCRQGXTKFU-SFHVURJKSA-N 0 1 320.396 2.475 20 70 DEIDMN COc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)c(C)n1 ZINC000160662075 402356089 /nfs/dbraw/zinc/35/60/89/402356089.db2.gz XKRGNIHZAZYTMP-UHFFFAOYSA-N 0 1 314.313 2.478 20 70 DEIDMN CC[C@H](NCc1ccccc1N1CCOCC1)c1cnn(C)c1 ZINC000161452921 402388369 /nfs/dbraw/zinc/38/83/69/402388369.db2.gz ILIOFDRLHMLXCN-KRWDZBQOSA-N 0 1 314.433 2.498 20 70 DEIDMN CCCCn1c(=O)[nH]nc1S(=O)(=O)Cc1cc(C)ccc1C ZINC000161202193 402377945 /nfs/dbraw/zinc/37/79/45/402377945.db2.gz KIQPXTBLSYFYNL-UHFFFAOYSA-N 0 1 323.418 2.375 20 70 DEIDMN CN(C)[C@H](CNC(=O)NOCc1cccnc1)c1cccs1 ZINC000160999362 522077355 /nfs/dbraw/zinc/07/73/55/522077355.db2.gz PGTGEZKRXFBJRW-CYBMUJFWSA-N 0 1 320.418 2.177 20 70 DEIDMN C[C@@H](C(=O)N1CCC[C@H](CN2CCOCC2)C1)c1cccs1 ZINC000159912179 197372476 /nfs/dbraw/zinc/37/24/76/197372476.db2.gz VFGCPEPAAUTRRK-HUUCEWRRSA-N 0 1 322.474 2.422 20 70 DEIDMN CC[C@@H](C(=O)N(C)c1cc(OC)c(OC)c(OC)c1)N(C)C ZINC000159714619 197361888 /nfs/dbraw/zinc/36/18/88/197361888.db2.gz QKRFTCVWWXIQFW-LBPRGKRZSA-N 0 1 310.394 2.015 20 70 DEIDMN C[C@@H]1CCc2ccccc2N1C(=O)CN(C)C[C@@H]1CCC[C@@H]1O ZINC000159463062 197356110 /nfs/dbraw/zinc/35/61/10/197356110.db2.gz JTBJJPHDJMVWMU-HFTRVMKXSA-N 0 1 316.445 2.447 20 70 DEIDMN O=C1[C@@H](Sc2nc(C3CC3)n[nH]2)CCCN1CC(F)(F)F ZINC000159537738 402325095 /nfs/dbraw/zinc/32/50/95/402325095.db2.gz WAOOATHZXNBKFC-QMMMGPOBSA-N 0 1 320.340 2.328 20 70 DEIDMN O=C1[C@@H](Sc2n[nH]c(C3CC3)n2)CCCN1CC(F)(F)F ZINC000159537738 402325096 /nfs/dbraw/zinc/32/50/96/402325096.db2.gz WAOOATHZXNBKFC-QMMMGPOBSA-N 0 1 320.340 2.328 20 70 DEIDMN CC[C@@H](C)c1cc(C(=O)NCCCCN2CCOCC2)on1 ZINC000160681670 402356737 /nfs/dbraw/zinc/35/67/37/402356737.db2.gz NUKZKNXQLURQIK-CYBMUJFWSA-N 0 1 309.410 2.030 20 70 DEIDMN CN(CC(=O)N1CCc2ccc(F)cc2C1)[C@H]1CCSC1 ZINC000161479635 402388579 /nfs/dbraw/zinc/38/85/79/402388579.db2.gz DKOLPRXQKKMGAT-HNNXBMFYSA-N 0 1 308.422 2.148 20 70 DEIDMN O=C(Nc1ccc(OC2CCCC2)c(F)c1)[C@@H]1CNCCO1 ZINC000161335666 402383494 /nfs/dbraw/zinc/38/34/94/402383494.db2.gz MJGSKOWHRRKAMG-HNNXBMFYSA-N 0 1 308.353 2.074 20 70 DEIDMN Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)ncn1 ZINC000161349486 402383986 /nfs/dbraw/zinc/38/39/86/402383986.db2.gz IHSLQBKZCCDFBO-UHFFFAOYSA-N 0 1 310.401 2.133 20 70 DEIDMN Cc1cc(C(=O)N2CCCN(Cc3ccccc3)CC2)ncn1 ZINC000161349486 402383991 /nfs/dbraw/zinc/38/39/91/402383991.db2.gz IHSLQBKZCCDFBO-UHFFFAOYSA-N 0 1 310.401 2.133 20 70 DEIDMN CC(C)c1ccc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000161405539 519835146 /nfs/dbraw/zinc/83/51/46/519835146.db2.gz NEIFPRFLFUALOD-HUUCEWRRSA-N 0 1 319.449 2.434 20 70 DEIDMN Cc1noc(C)c1C[C@@H](C)NC(=O)[C@H]1NCCc2ccccc21 ZINC000160224496 197394028 /nfs/dbraw/zinc/39/40/28/197394028.db2.gz SAWKJRBPDADZLF-DIFFPNOSSA-N 0 1 313.401 2.226 20 70 DEIDMN Cc1ccc(-c2n[nH]c(NC(=O)Cc3c[nH]c4ncccc34)n2)o1 ZINC000160423173 402344781 /nfs/dbraw/zinc/34/47/81/402344781.db2.gz IBDBXVWTEKVRQC-UHFFFAOYSA-N 0 1 322.328 2.431 20 70 DEIDMN CCO[C@@H]1C[C@@H](NC(=O)[C@H]2NCCc3ccccc32)C12CCC2 ZINC000160998167 402368901 /nfs/dbraw/zinc/36/89/01/402368901.db2.gz AWAKOQNJVZOJTB-ZACQAIPSSA-N 0 1 314.429 2.337 20 70 DEIDMN CCn1cnnc1[C@H]1CCCN([C@H](C)C(=O)NC(C)(C)CC)C1 ZINC000161280458 402380873 /nfs/dbraw/zinc/38/08/73/402380873.db2.gz VJCGHBYZNWAWJG-KGLIPLIRSA-N 0 1 321.469 2.171 20 70 DEIDMN O=C(N[C@H]1CCOC2(CCCC2)C1)[C@@H]1CCCc2[nH]ncc21 ZINC000160026969 402335592 /nfs/dbraw/zinc/33/55/92/402335592.db2.gz YCKLPAPBXKHFKF-QWHCGFSZSA-N 0 1 303.406 2.438 20 70 DEIDMN C[C@@H]1CC(=O)CC[C@H]1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000160926519 287197231 /nfs/dbraw/zinc/19/72/31/287197231.db2.gz PKOSIUUKWKMVAN-XYPHTWIQSA-N 0 1 302.418 2.411 20 70 DEIDMN CCN(CCOc1ccc(Br)cc1)[C@H](C)C(N)=O ZINC000159654871 276134074 /nfs/dbraw/zinc/13/40/74/276134074.db2.gz OBLMSMSHPDWBDK-SNVBAGLBSA-N 0 1 315.211 2.024 20 70 DEIDMN COC(=O)c1oc([C@@H](C)N2CCC(CC(N)=O)CC2)cc1C ZINC000159753346 522406321 /nfs/dbraw/zinc/40/63/21/522406321.db2.gz OQQBETYEDVFBNG-LLVKDONJSA-N 0 1 308.378 2.023 20 70 DEIDMN Cc1ncc([C@@H](C)N[C@H](C)C(=O)NCc2ccccc2)c(C)n1 ZINC000161190751 527307159 /nfs/dbraw/zinc/30/71/59/527307159.db2.gz STCDLFNHRWUVJJ-TZMCWYRMSA-N 0 1 312.417 2.449 20 70 DEIDMN CN(C[C@@H](O)C1CC1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000160787085 539587718 /nfs/dbraw/zinc/58/77/18/539587718.db2.gz MLFZOAOVGUYVNS-MSOLQXFVSA-N 0 1 316.445 2.443 20 70 DEIDMN CC(C)CCn1ccc(NC(=O)N2CCN(CC3CC3)CC2)n1 ZINC000161253497 539589813 /nfs/dbraw/zinc/58/98/13/539589813.db2.gz AUVJWGGYAHQTMC-UHFFFAOYSA-N 0 1 319.453 2.489 20 70 DEIDMN C[C@@H](O)CN(C)[C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000159441781 197354318 /nfs/dbraw/zinc/35/43/18/197354318.db2.gz MGISTONQWKTCBR-ZJUUUORDSA-N 0 1 315.211 2.089 20 70 DEIDMN CCOC(=O)C[C@H](C)NC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000160498597 402348245 /nfs/dbraw/zinc/34/82/45/402348245.db2.gz IHGRXUOFLCDCGQ-XJKSGUPXSA-N 0 1 306.406 2.137 20 70 DEIDMN O=C(NCC1(c2cccs2)CCCCC1)[C@H]1CNCCO1 ZINC000160497693 402348344 /nfs/dbraw/zinc/34/83/44/402348344.db2.gz GNIJBKRYYPOUIS-CYBMUJFWSA-N 0 1 308.447 2.055 20 70 DEIDMN C[C@H](NCCS(=O)(=O)c1ccc(F)cc1)c1cccnc1 ZINC000160560400 402351474 /nfs/dbraw/zinc/35/14/74/402351474.db2.gz MNRIMVYDTTUDAT-LBPRGKRZSA-N 0 1 308.378 2.345 20 70 DEIDMN COc1ccc(NS(=O)(=O)c2cccc(C(C)=O)c2)c(C)n1 ZINC000160661637 402356125 /nfs/dbraw/zinc/35/61/25/402356125.db2.gz MASJZGINQJKFOB-UHFFFAOYSA-N 0 1 320.370 2.402 20 70 DEIDMN COC(=O)c1csc(NC(=O)N2CCN(CC3CC3)CC2)c1 ZINC000160936640 402366510 /nfs/dbraw/zinc/36/65/10/402366510.db2.gz WDDWLSIVGDJONF-UHFFFAOYSA-N 0 1 323.418 2.094 20 70 DEIDMN CN(C(=O)c1cccc(-c2nnc[nH]2)c1)c1ccc2c(c1)OCO2 ZINC000161458729 402388198 /nfs/dbraw/zinc/38/81/98/402388198.db2.gz GONQXYYHKVJXRF-UHFFFAOYSA-N 0 1 322.324 2.477 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)c2cc(-c3ccncc3)on2)n[nH]1 ZINC000161093741 402372487 /nfs/dbraw/zinc/37/24/87/402372487.db2.gz WPCRQGXDJBPUNJ-SNVBAGLBSA-N 0 1 311.345 2.129 20 70 DEIDMN Cc1[nH]ncc1CCCNC(=O)[C@H]1COc2ccc(F)cc2C1 ZINC000160186291 402337365 /nfs/dbraw/zinc/33/73/65/402337365.db2.gz ZMGGRXIGMVWJMZ-CQSZACIVSA-N 0 1 317.364 2.157 20 70 DEIDMN CC(C)[C@H](CNC(=O)[C@H](C)c1cccs1)N1CCN(C)CC1 ZINC000160054871 276017821 /nfs/dbraw/zinc/01/78/21/276017821.db2.gz POSXZRSBNUCNIR-CABCVRRESA-N 0 1 323.506 2.240 20 70 DEIDMN CC(C)[C@H](CCO)NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000160701968 519813871 /nfs/dbraw/zinc/81/38/71/519813871.db2.gz DJCLZAQWBCAIQU-IRXDYDNUSA-N 0 1 304.434 2.174 20 70 DEIDMN CCN1CCC[C@@H]1CNC(=O)C(F)(F)c1ccc(OC)cc1 ZINC000160332452 521634685 /nfs/dbraw/zinc/63/46/85/521634685.db2.gz XIDAUIROWXPPQY-CYBMUJFWSA-N 0 1 312.360 2.388 20 70 DEIDMN COCC(C)(C)C(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000160372825 197404038 /nfs/dbraw/zinc/40/40/38/197404038.db2.gz FOINRYOLQLITTN-OAHLLOKOSA-N 0 1 308.422 2.087 20 70 DEIDMN O=C([C@H]1COc2ccc(Cl)cc2C1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160082389 284579674 /nfs/dbraw/zinc/57/96/74/284579674.db2.gz WXCRZWCIVZPOMT-YUELXQCFSA-N 0 1 320.820 2.244 20 70 DEIDMN CCN1CCN([C@@H]2CCN(c3nc(C(C)(C)C)ns3)C2)CC1 ZINC000159370326 197348564 /nfs/dbraw/zinc/34/85/64/197348564.db2.gz QAADDKIDIQNKIO-CYBMUJFWSA-N 0 1 323.510 2.052 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)c2ccncc2Br)n[nH]1 ZINC000161426061 402386955 /nfs/dbraw/zinc/38/69/55/402386955.db2.gz BOWMKUWQHQWSBV-MRVPVSSYSA-N 0 1 323.194 2.237 20 70 DEIDMN C[N@@H+](CC(=O)NCCc1cc2ccccc2[nH]1)[C@H]1CCSC1 ZINC000161447067 402387605 /nfs/dbraw/zinc/38/76/05/402387605.db2.gz AKZAXXIHQLGSIB-HNNXBMFYSA-N 0 1 317.458 2.264 20 70 DEIDMN CN(CC(=O)NCCc1cc2ccccc2[nH]1)[C@H]1CCSC1 ZINC000161447067 402387607 /nfs/dbraw/zinc/38/76/07/402387607.db2.gz AKZAXXIHQLGSIB-HNNXBMFYSA-N 0 1 317.458 2.264 20 70 DEIDMN COc1cc([C@@H](C)NCC(=O)NC(C)C)ccc1OC(F)F ZINC000160929134 402365853 /nfs/dbraw/zinc/36/58/53/402365853.db2.gz XCSSSHVKUUCSCJ-SNVBAGLBSA-N 0 1 316.348 2.472 20 70 DEIDMN CN(CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)NC1CC1 ZINC000161237314 402379059 /nfs/dbraw/zinc/37/90/59/402379059.db2.gz PLBVADBRQGOYGU-UHFFFAOYSA-N 0 1 312.417 2.220 20 70 DEIDMN CCn1cnnc1[C@H]1CCCN([C@@H](C)C(=O)NC(C)(C)CC)C1 ZINC000161280551 402380606 /nfs/dbraw/zinc/38/06/06/402380606.db2.gz VJCGHBYZNWAWJG-KBPBESRZSA-N 0 1 321.469 2.171 20 70 DEIDMN CCCCNC(=O)CCN1CCO[C@]2(CCc3ccccc32)C1 ZINC000159628164 402327133 /nfs/dbraw/zinc/32/71/33/402327133.db2.gz CRKUHHRTXPLISZ-LJQANCHMSA-N 0 1 316.445 2.467 20 70 DEIDMN CCCNC(=O)c1cccc(CN[C@H](C)c2cnn(C)c2)c1 ZINC000160597086 519903346 /nfs/dbraw/zinc/90/33/46/519903346.db2.gz RMUKRTVJCSMUPU-CYBMUJFWSA-N 0 1 300.406 2.411 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)COc2cc(C)ccc2C)n[nH]1 ZINC000161204508 524823929 /nfs/dbraw/zinc/82/39/29/524823929.db2.gz VHSVGOCSSFLMFO-CYBMUJFWSA-N 0 1 301.390 2.461 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)c2ccc(OC(C)C)nc2)n[nH]1 ZINC000161248512 524837040 /nfs/dbraw/zinc/83/70/40/524837040.db2.gz HPLPUDIEOUHPRD-NSHDSACASA-N 0 1 302.378 2.261 20 70 DEIDMN Cc1cc([C@@](C)(O)CNC(=O)c2cccc3nc[nH]c32)c(C)o1 ZINC000159759731 525502355 /nfs/dbraw/zinc/50/23/55/525502355.db2.gz GTNIZDULSQQMPN-KRWDZBQOSA-N 0 1 313.357 2.410 20 70 DEIDMN CC[N@@H+](CCCCS(C)(=O)=O)Cc1ccc2c(c1)OCO2 ZINC000161321574 539591252 /nfs/dbraw/zinc/59/12/52/539591252.db2.gz JSYSKBXXPVRVHH-UHFFFAOYSA-N 0 1 313.419 2.062 20 70 DEIDMN CCN(CCCCS(C)(=O)=O)Cc1ccc2c(c1)OCO2 ZINC000161321574 539591258 /nfs/dbraw/zinc/59/12/58/539591258.db2.gz JSYSKBXXPVRVHH-UHFFFAOYSA-N 0 1 313.419 2.062 20 70 DEIDMN CN(CC(=O)NCc1cccc(Cl)c1)C[C@H]1CCC[C@@H]1O ZINC000159650307 186133158 /nfs/dbraw/zinc/13/31/58/186133158.db2.gz KTFYQKYUAGXVQD-HIFRSBDPSA-N 0 1 310.825 2.049 20 70 DEIDMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)cc2C)c1 ZINC000159688194 186135515 /nfs/dbraw/zinc/13/55/15/186135515.db2.gz OPVYIHFRIZMULN-UHFFFAOYSA-N 0 1 322.386 2.383 20 70 DEIDMN C[C@H]1Cc2ccccc2N1C(=O)CN(C)C[C@@H]1CCC[C@@H]1O ZINC000159752810 186139688 /nfs/dbraw/zinc/13/96/88/186139688.db2.gz GXQONIJGGLWQTQ-QRTARXTBSA-N 0 1 302.418 2.057 20 70 DEIDMN CC(C)c1cc(CNC(=O)N2CCN(C)C[C@@H]2C(C)C)on1 ZINC000160000385 355963227 /nfs/dbraw/zinc/96/32/27/355963227.db2.gz VUDYDGJTDMZBOY-OAHLLOKOSA-N 0 1 308.426 2.280 20 70 DEIDMN Cc1noc(C)c1C[C@H](C)NC(=O)[C@@H]1NCCc2ccccc21 ZINC000160224897 197393829 /nfs/dbraw/zinc/39/38/29/197393829.db2.gz SAWKJRBPDADZLF-APPDUMDISA-N 0 1 313.401 2.226 20 70 DEIDMN CCOC(=O)C[C@H](C)NC(=O)[C@H](c1ccccc1)N(C)CC ZINC000160498488 402348337 /nfs/dbraw/zinc/34/83/37/402348337.db2.gz IHGRXUOFLCDCGQ-BBRMVZONSA-N 0 1 306.406 2.137 20 70 DEIDMN Cn1cc(NC(=O)c2n[nH]c3ccccc32)cc(Cl)c1=O ZINC000160583686 402352702 /nfs/dbraw/zinc/35/27/02/402352702.db2.gz DDVVCRUBCWNDPT-UHFFFAOYSA-N 0 1 302.721 2.167 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)CCCc2nc(C3CC3)no2)n[nH]1 ZINC000161435803 402387655 /nfs/dbraw/zinc/38/76/55/402387655.db2.gz PSOYABRIKBZFMK-SNVBAGLBSA-N 0 1 317.393 2.049 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)c2c[nH]nc2-c2ccccc2)n[nH]1 ZINC000161100323 402372775 /nfs/dbraw/zinc/37/27/75/402372775.db2.gz DBONTORIUDLIQA-NSHDSACASA-N 0 1 309.373 2.469 20 70 DEIDMN C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)C2CC2)CC1 ZINC000161200134 402376903 /nfs/dbraw/zinc/37/69/03/402376903.db2.gz VNEAGOQMYHJNOQ-CYBMUJFWSA-N 0 1 302.422 2.411 20 70 DEIDMN COc1cc(C)c(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1OC ZINC000161306529 402381500 /nfs/dbraw/zinc/38/15/00/402381500.db2.gz CYHNRROKIZTLHA-LLVKDONJSA-N 0 1 317.389 2.405 20 70 DEIDMN O=C(c1ccn[nH]1)N1CCN(Cc2ccccc2Cl)CC1 ZINC000161374916 402384947 /nfs/dbraw/zinc/38/49/47/402384947.db2.gz WWQRPWFBLFTNJK-UHFFFAOYSA-N 0 1 304.781 2.021 20 70 DEIDMN CCOc1ccccc1OCC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000161074113 521559425 /nfs/dbraw/zinc/55/94/25/521559425.db2.gz OIWJAMSVABQOGX-LBPRGKRZSA-N 0 1 317.389 2.243 20 70 DEIDMN COc1cccc(OCCCN[C@H](C(N)=O)c2ccccc2)c1 ZINC000160992611 526231046 /nfs/dbraw/zinc/23/10/46/526231046.db2.gz YQUMVRSKBIHASC-KRWDZBQOSA-N 0 1 314.385 2.280 20 70 DEIDMN COc1ccccc1[C@H](NC(=O)[C@H](C)N(C)C)c1ccccn1 ZINC000159820155 539584099 /nfs/dbraw/zinc/58/40/99/539584099.db2.gz ZTUZNTKPJGWHEU-GUYCJALGSA-N 0 1 313.401 2.246 20 70 DEIDMN Cc1cc(C(=O)NC[C@H](c2cccs2)N2CCCC2)ncn1 ZINC000161304718 539590112 /nfs/dbraw/zinc/59/01/12/539590112.db2.gz ISCUXVOKDRUKHR-CQSZACIVSA-N 0 1 316.430 2.413 20 70 DEIDMN O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccc2[nH]nnc2c1 ZINC000159701114 186136317 /nfs/dbraw/zinc/13/63/17/186136317.db2.gz BCLWSBDQMOBCBH-GFCCVEGCSA-N 0 1 300.362 2.180 20 70 DEIDMN Cc1nn(-c2ccccc2)cc1CN1CCC(CC(N)=O)CC1 ZINC000159733877 186137857 /nfs/dbraw/zinc/13/78/57/186137857.db2.gz KSZOUFROGOPEQT-UHFFFAOYSA-N 0 1 312.417 2.268 20 70 DEIDMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000159798260 197365844 /nfs/dbraw/zinc/36/58/44/197365844.db2.gz IAJAVGQRUGJPPH-UHFFFAOYSA-N 0 1 320.437 2.172 20 70 DEIDMN CCCOc1ccc(/C=C/C(=O)N2CCNCC2)cc1OCC ZINC000159429250 197353091 /nfs/dbraw/zinc/35/30/91/197353091.db2.gz JFTHAUXMJQOYBF-SOFGYWHQSA-N 0 1 318.417 2.319 20 70 DEIDMN N[C@H](C(=O)N1CCN(CCc2ccccc2)CC1)c1ccccc1 ZINC000217361676 402291722 /nfs/dbraw/zinc/29/17/22/402291722.db2.gz OQXSLSGRTZWFRD-IBGZPJMESA-N 0 1 323.440 2.073 20 70 DEIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc(C(C)C)nn3C)n2)o1 ZINC000160370551 402342654 /nfs/dbraw/zinc/34/26/54/402342654.db2.gz QEJBGXXIBJBZEY-UHFFFAOYSA-N 0 1 314.349 2.482 20 70 DEIDMN COC(=O)c1csc(NC(=O)N2CC[C@H](N3CC=CC3)C2)c1 ZINC000160646418 402354999 /nfs/dbraw/zinc/35/49/99/402354999.db2.gz YATAALKQQQJSKD-LBPRGKRZSA-N 0 1 321.402 2.013 20 70 DEIDMN CC(C)N1CCN(C(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000160774661 402360079 /nfs/dbraw/zinc/36/00/79/402360079.db2.gz VUZLQZJAJOHGGQ-UHFFFAOYSA-N 0 1 319.331 2.003 20 70 DEIDMN CN(CC(=O)N1CCc2ccc(F)cc2C1)[C@@H]1CCSC1 ZINC000161479506 402388434 /nfs/dbraw/zinc/38/84/34/402388434.db2.gz DKOLPRXQKKMGAT-OAHLLOKOSA-N 0 1 308.422 2.148 20 70 DEIDMN COCC(C)(C)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000161170297 402375795 /nfs/dbraw/zinc/37/57/95/402375795.db2.gz ZZHPTKDLOSJZDJ-UHFFFAOYSA-N 0 1 304.434 2.394 20 70 DEIDMN CCCCn1ncc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)c1C ZINC000159856887 402332410 /nfs/dbraw/zinc/33/24/10/402332410.db2.gz CFMGROBZCXBXII-OAHLLOKOSA-N 0 1 317.437 2.470 20 70 DEIDMN Cc1nc2ccccn2c1CN1CCCN(c2cccnn2)CC1 ZINC000159888402 402332900 /nfs/dbraw/zinc/33/29/00/402332900.db2.gz GBUDJGPLOSKNHD-UHFFFAOYSA-N 0 1 322.416 2.145 20 70 DEIDMN CCOc1ccc(OCC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000161339627 521165035 /nfs/dbraw/zinc/16/50/35/521165035.db2.gz VCONZKDFMUTVMI-LBPRGKRZSA-N 0 1 317.389 2.243 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)Nc2cccc([S@](C)=O)c2)n[nH]1 ZINC000160227500 524826756 /nfs/dbraw/zinc/82/67/56/524826756.db2.gz KCXUISMYWLAHOX-ZQJOYCHOSA-N 0 1 320.418 2.208 20 70 DEIDMN NC(=O)CC1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000159777681 526862879 /nfs/dbraw/zinc/86/28/79/526862879.db2.gz DWBIYGJSWRZFOJ-UHFFFAOYSA-N 0 1 316.380 2.303 20 70 DEIDMN O[C@@H](Cc1ccccc1)CN1CCN(c2cccs2)CC1 ZINC000160303128 197399433 /nfs/dbraw/zinc/39/94/33/197399433.db2.gz GVCGUBQVKPNPOP-INIZCTEOSA-N 0 1 302.443 2.474 20 70 DEIDMN O=C(c1ccn[nH]1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000160377635 197404238 /nfs/dbraw/zinc/40/42/38/197404238.db2.gz PXXPUGJQVXEZQL-UHFFFAOYSA-N 0 1 324.306 2.391 20 70 DEIDMN C[C@H](C(=O)Nc1ccc(F)c(F)c1)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159509504 197358675 /nfs/dbraw/zinc/35/86/75/197358675.db2.gz PDPVPFUEBRLCBJ-ZETOZRRWSA-N 0 1 312.360 2.385 20 70 DEIDMN COc1cc(C(=O)N2CCNCC2)ccc1OC1CCCC1 ZINC000159385754 197349480 /nfs/dbraw/zinc/34/94/80/197349480.db2.gz UECLWVMDCJPRJA-UHFFFAOYSA-N 0 1 304.390 2.062 20 70 DEIDMN C[C@H](O)CN(C)[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000159364064 197347439 /nfs/dbraw/zinc/34/74/39/197347439.db2.gz VXROTQLJCFPNJO-UWVGGRQHSA-N 0 1 304.312 2.345 20 70 DEIDMN CCn1ccnc1CN[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000217807469 402293955 /nfs/dbraw/zinc/29/39/55/402293955.db2.gz HXFGJZRIZGQNQK-CYBMUJFWSA-N 0 1 308.426 2.392 20 70 DEIDMN CC(C)c1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCCCC2=O)n[nH]1 ZINC000160476286 402347213 /nfs/dbraw/zinc/34/72/13/402347213.db2.gz NLUATJGQLVBYRT-IUODEOHRSA-N 0 1 319.405 2.133 20 70 DEIDMN CCOc1ccccc1[C@H](C)NCC(=O)NCC(F)(F)F ZINC000160607303 402354013 /nfs/dbraw/zinc/35/40/13/402354013.db2.gz QFGQJDQEXNGBBC-JTQLQIEISA-N 0 1 304.312 2.414 20 70 DEIDMN CC(C)[C@@H](CCO)NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000160702094 402357358 /nfs/dbraw/zinc/35/73/58/402357358.db2.gz DJCLZAQWBCAIQU-IAGOWNOFSA-N 0 1 304.434 2.174 20 70 DEIDMN CCNC(=O)NC(=O)[C@@H](C)N[C@@H](CC)c1ccc(F)cc1F ZINC000161008991 402369197 /nfs/dbraw/zinc/36/91/97/402369197.db2.gz GSRHXLVGQSSBQU-RNCFNFMXSA-N 0 1 313.348 2.240 20 70 DEIDMN CCN(CC)[C@@H](CNC(=O)N1CCC[C@@](C)(O)C1)c1ccco1 ZINC000161212166 402377424 /nfs/dbraw/zinc/37/74/24/402377424.db2.gz IDVCZXLZYALJEI-WMLDXEAASA-N 0 1 323.437 2.219 20 70 DEIDMN CC(=O)Nc1ccc(F)c(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c1 ZINC000161312599 402381918 /nfs/dbraw/zinc/38/19/18/402381918.db2.gz URIIEEPLJCOFFZ-VIFPVBQESA-N 0 1 318.352 2.177 20 70 DEIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccn(C)c(=O)c3)c2C)o1 ZINC000161395543 402385728 /nfs/dbraw/zinc/38/57/28/402385728.db2.gz AXPLHJSZGVXZIA-UHFFFAOYSA-N 0 1 312.329 2.238 20 70 DEIDMN CCCCn1ncc(NC(=O)N2CC[C@H](N3CC=CC3)C2)c1C ZINC000159856752 402332467 /nfs/dbraw/zinc/33/24/67/402332467.db2.gz CFMGROBZCXBXII-HNNXBMFYSA-N 0 1 317.437 2.470 20 70 DEIDMN O=C(NC[C@@H]1Cc2ccccc2O1)c1cccc(-c2nnc[nH]2)c1 ZINC000159994286 402334883 /nfs/dbraw/zinc/33/48/83/402334883.db2.gz QDAIQOYCHJTADV-HNNXBMFYSA-N 0 1 320.352 2.205 20 70 DEIDMN C[C@H]1CN(C[C@@H]2CCCN2c2ncc(Cl)cn2)C[C@H](C)O1 ZINC000160466729 274585825 /nfs/dbraw/zinc/58/58/25/274585825.db2.gz YFYCWGYXDCWMMF-OBJOEFQTSA-N 0 1 310.829 2.208 20 70 DEIDMN CCOCCC1(CNC(=O)N[C@H](C)Cc2cc(C)[nH]n2)CC1 ZINC000160749587 521687318 /nfs/dbraw/zinc/68/73/18/521687318.db2.gz XZHNORYETLJUQF-GFCCVEGCSA-N 0 1 308.426 2.155 20 70 DEIDMN CCc1ccc(CN2CCCC[C@@H]2CCNS(C)(=O)=O)o1 ZINC000159412197 523925169 /nfs/dbraw/zinc/92/51/69/523925169.db2.gz NLHNZIPGGFHIMN-CYBMUJFWSA-N 0 1 314.451 2.136 20 70 DEIDMN CCN(CC)C(=O)[C@@H](c1ccccc1)N(C)C[C@H](O)C1CC1 ZINC000160771030 539587803 /nfs/dbraw/zinc/58/78/03/539587803.db2.gz TYRLAKCGZLIXKR-DLBZAZTESA-N 0 1 304.434 2.299 20 70 DEIDMN C[C@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1cnn(C)c1 ZINC000160714636 299407517 /nfs/dbraw/zinc/40/75/17/299407517.db2.gz UZGBXBCEWSQDJN-WMLDXEAASA-N 0 1 312.417 2.434 20 70 DEIDMN O=C(NCCc1cc2ccccc2[nH]1)c1ccc2[nH]nnc2c1 ZINC000159504165 197358398 /nfs/dbraw/zinc/35/83/98/197358398.db2.gz IHDNROOVJOTILI-UHFFFAOYSA-N 0 1 305.341 2.412 20 70 DEIDMN CCCC(=O)NC[C@H]1CCCN(Cc2cnc3ccccn23)C1 ZINC000159542692 402325507 /nfs/dbraw/zinc/32/55/07/402325507.db2.gz IWKMRTDGFGLLCC-OAHLLOKOSA-N 0 1 314.433 2.463 20 70 DEIDMN c1nc2ccccn2c1CN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000160442879 402345706 /nfs/dbraw/zinc/34/57/06/402345706.db2.gz HKVSFBGBTUXXAY-CQSZACIVSA-N 0 1 322.416 2.252 20 70 DEIDMN Cc1nnc(SCCC(=O)NCCCSCC(C)C)[nH]1 ZINC000160781785 402360115 /nfs/dbraw/zinc/36/01/15/402360115.db2.gz LPBDIRYXMKQZAH-UHFFFAOYSA-N 0 1 316.496 2.491 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)c2ccc(-n3cccn3)cc2)n[nH]1 ZINC000161112313 402373326 /nfs/dbraw/zinc/37/33/26/402373326.db2.gz OSVAPSHNSMVRCF-GFCCVEGCSA-N 0 1 309.373 2.265 20 70 DEIDMN CC(=O)Nc1cc(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)ccc1F ZINC000161400933 402386141 /nfs/dbraw/zinc/38/61/41/402386141.db2.gz AUSVDCZRLNFSSR-VIFPVBQESA-N 0 1 318.352 2.177 20 70 DEIDMN Cc1cccc([C@H](NC(=O)CCc2nc[nH]n2)c2ccccn2)c1 ZINC000159799039 402330961 /nfs/dbraw/zinc/33/09/61/402330961.db2.gz NJVXHDPCGXNFAB-SFHVURJKSA-N 0 1 321.384 2.347 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)c2csc([C@H]3CCCO3)n2)n[nH]1 ZINC000160158553 402337712 /nfs/dbraw/zinc/33/77/12/402337712.db2.gz LYBQXQBJXJXCAN-NOZJJQNGSA-N 0 1 320.418 2.387 20 70 DEIDMN Cc1c(Cl)cccc1OCC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159681374 224712317 /nfs/dbraw/zinc/71/23/17/224712317.db2.gz UYGYHWKFFFPZQX-BETUJISGSA-N 0 1 308.809 2.380 20 70 DEIDMN CCc1nc(CN[C@@H](C)c2cccc(N3CCCC3=O)c2)n[nH]1 ZINC000160389591 522346955 /nfs/dbraw/zinc/34/69/55/522346955.db2.gz SHEYHLIWBCDFFC-LBPRGKRZSA-N 0 1 313.405 2.345 20 70 DEIDMN C[C@H](NCc1cn2ccccc2n1)c1cccc(-n2cnnn2)c1 ZINC000159398291 539582122 /nfs/dbraw/zinc/58/21/22/539582122.db2.gz JHJAZMSKLPASGE-ZDUSSCGKSA-N 0 1 319.372 2.161 20 70 DEIDMN COCCNCC(=O)Nc1cc(F)ccc1SCC(F)F ZINC000159593354 186129634 /nfs/dbraw/zinc/12/96/34/186129634.db2.gz PQUDKRLJYWCKAG-UHFFFAOYSA-N 0 1 322.352 2.357 20 70 DEIDMN CC(C)[C@@H]1CN(C)CCN1C(=O)NC[C@@H](C)Oc1ccccc1 ZINC000159938814 355963216 /nfs/dbraw/zinc/96/32/16/355963216.db2.gz DBTMWZSHLZRFBR-WBVHZDCISA-N 0 1 319.449 2.436 20 70 DEIDMN CC[C@@H](C)c1cc(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)on1 ZINC000159426447 402323306 /nfs/dbraw/zinc/32/33/06/402323306.db2.gz UEDRGUWVYSVBPO-MCIONIFRSA-N 0 1 323.437 2.417 20 70 DEIDMN NC(=O)[C@H]1CCCN1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000160341290 402341526 /nfs/dbraw/zinc/34/15/26/402341526.db2.gz AILHCCRQGXTKFU-GOSISDBHSA-N 0 1 320.396 2.475 20 70 DEIDMN CCCC[C@@H](NCc1cnn(C)c1)C(=O)Nc1cc(C)on1 ZINC000161141417 402374834 /nfs/dbraw/zinc/37/48/34/402374834.db2.gz XXMCCPXWMMVVIT-CYBMUJFWSA-N 0 1 305.382 2.004 20 70 DEIDMN CCN(Cc1cnn(C)c1)C[C@@H](O)COc1cc(C)ccc1C ZINC000161135622 402374849 /nfs/dbraw/zinc/37/48/49/402374849.db2.gz YWQDYECRTYKTLC-QGZVFWFLSA-N 0 1 317.433 2.299 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)COC/C=C/c2ccccc2)n[nH]1 ZINC000161322938 402382621 /nfs/dbraw/zinc/38/26/21/402382621.db2.gz CIBAINYSDQHMPT-MRZGDXHCSA-N 0 1 313.401 2.495 20 70 DEIDMN CCOC(=O)C[C@H](C)NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000160101659 402336010 /nfs/dbraw/zinc/33/60/10/402336010.db2.gz QDGXVLNOCSBKOB-HOCLYGCPSA-N 0 1 318.417 2.109 20 70 DEIDMN CCC[C@H]1CN(C(=O)NC(C2CC2)C2CC2)CCN1CCOC ZINC000160100955 402336408 /nfs/dbraw/zinc/33/64/08/402336408.db2.gz FTHHWCQVIQJQLC-INIZCTEOSA-N 0 1 323.481 2.317 20 70 DEIDMN CC(=O)Nc1cc(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)ccc1C ZINC000161503111 402390040 /nfs/dbraw/zinc/39/00/40/402390040.db2.gz HRFQTJIHZPEVPP-NSHDSACASA-N 0 1 314.389 2.346 20 70 DEIDMN CCOCCC1(CNC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)CC1 ZINC000160749477 521687105 /nfs/dbraw/zinc/68/71/05/521687105.db2.gz XZHNORYETLJUQF-LBPRGKRZSA-N 0 1 308.426 2.155 20 70 DEIDMN O[C@H](Cc1ccccc1)CN1CCN(c2cccs2)CC1 ZINC000160303249 197399410 /nfs/dbraw/zinc/39/94/10/197399410.db2.gz GVCGUBQVKPNPOP-MRXNPFEDSA-N 0 1 302.443 2.474 20 70 DEIDMN O=C(CN[C@H]1CCCOc2ccccc21)NCC(F)(F)F ZINC000160588766 402352420 /nfs/dbraw/zinc/35/24/20/402352420.db2.gz ZFOAUPMJHYJYCA-NSHDSACASA-N 0 1 302.296 2.168 20 70 DEIDMN CC(C)NC(=O)CN[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000160918770 402365172 /nfs/dbraw/zinc/36/51/72/402365172.db2.gz LDYDCODRFSGGKX-LBPRGKRZSA-N 0 1 318.421 2.146 20 70 DEIDMN CC[C@@H](C)OCC(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000161039630 522251330 /nfs/dbraw/zinc/25/13/30/522251330.db2.gz GOHUHAYDPVDLJN-OAHLLOKOSA-N 0 1 319.449 2.188 20 70 DEIDMN CCc1nc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)n[nH]1 ZINC000160544913 522355234 /nfs/dbraw/zinc/35/52/34/522355234.db2.gz UTVZNZQLECTRJY-KRWDZBQOSA-N 0 1 314.389 2.379 20 70 DEIDMN COc1ccc(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c(OC)c1 ZINC000161462667 523720252 /nfs/dbraw/zinc/72/02/52/523720252.db2.gz BXSDVDLRUORLKU-JTQLQIEISA-N 0 1 303.362 2.096 20 70 DEIDMN COc1ccc(CCC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000161210295 523925222 /nfs/dbraw/zinc/92/52/22/523925222.db2.gz JIEMOPHJJRKWNA-LBPRGKRZSA-N 0 1 301.390 2.407 20 70 DEIDMN CCc1ccc(CN2CCCC[C@H]2CCNS(C)(=O)=O)o1 ZINC000159412347 523925318 /nfs/dbraw/zinc/92/53/18/523925318.db2.gz NLHNZIPGGFHIMN-ZDUSSCGKSA-N 0 1 314.451 2.136 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)COc2ccc(Cl)cc2)n[nH]1 ZINC000161203459 524822252 /nfs/dbraw/zinc/82/22/52/524822252.db2.gz WTBIGNNELKYRNC-SNVBAGLBSA-N 0 1 307.781 2.498 20 70 DEIDMN C[C@@H](NC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1)c1nnc[nH]1 ZINC000160925276 525236634 /nfs/dbraw/zinc/23/66/34/525236634.db2.gz YQPZTTCRZQQDPX-XBFCOCLRSA-N 0 1 315.377 2.085 20 70 DEIDMN Cc1nnc(SCC(=O)NCCCSCC(C)C)[nH]1 ZINC000160670420 526529243 /nfs/dbraw/zinc/52/92/43/526529243.db2.gz PYAHVMNWDYJPQB-UHFFFAOYSA-N 0 1 302.469 2.101 20 70 DEIDMN Cc1n[nH]c(SCC(=O)NCCCSCC(C)C)n1 ZINC000160670420 526529249 /nfs/dbraw/zinc/52/92/49/526529249.db2.gz PYAHVMNWDYJPQB-UHFFFAOYSA-N 0 1 302.469 2.101 20 70 DEIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3n[nH]c4c3CCCC4)n2)o1 ZINC000160251352 539585376 /nfs/dbraw/zinc/58/53/76/539585376.db2.gz BUJLBLJBPMBHMU-UHFFFAOYSA-N 0 1 312.333 2.227 20 70 DEIDMN CC(C)[C@@H](CNC(=O)[C@@H](C)c1ccsc1)N1CCN(C)CC1 ZINC000160055874 355962901 /nfs/dbraw/zinc/96/29/01/355962901.db2.gz PZQZATFZBUQPHW-GOEBONIOSA-N 0 1 323.506 2.240 20 70 DEIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccc4c3OCO4)n2)o1 ZINC000160161395 197390029 /nfs/dbraw/zinc/39/00/29/197390029.db2.gz HYPBRVDXECRNRT-UHFFFAOYSA-N 0 1 312.285 2.354 20 70 DEIDMN CCCn1nc(C)c([C@@H]2NC(=N)Nc3nc4ccccc4n32)c1C ZINC000160145116 197389265 /nfs/dbraw/zinc/38/92/65/197389265.db2.gz PWBIYOKGANDONH-OAHLLOKOSA-N 0 1 323.404 2.356 20 70 DEIDMN CCc1nc(CN2CCC(CCC(=O)N(CC)CC)CC2)n[nH]1 ZINC000161234152 402378718 /nfs/dbraw/zinc/37/87/18/402378718.db2.gz MNQYZFFOTVMLTI-UHFFFAOYSA-N 0 1 321.469 2.228 20 70 DEIDMN C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159722622 402328996 /nfs/dbraw/zinc/32/89/96/402328996.db2.gz NFHVNTFRNAQZRW-SDDRHHMPSA-N 0 1 310.344 2.085 20 70 DEIDMN COc1cc(C)cc(CNC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c1 ZINC000160749239 522240436 /nfs/dbraw/zinc/24/04/36/522240436.db2.gz NFEUJERJIKFNPG-LBPRGKRZSA-N 0 1 316.405 2.466 20 70 DEIDMN CCc1nc(CN(CC(=O)OC)[C@H](CC)c2ccccc2)n[nH]1 ZINC000159389616 522292535 /nfs/dbraw/zinc/29/25/35/522292535.db2.gz LWMNESURUDWUQY-CQSZACIVSA-N 0 1 316.405 2.493 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)Nc2cnn(CC(C)C)c2)n[nH]1 ZINC000161341805 524826589 /nfs/dbraw/zinc/82/65/89/524826589.db2.gz OEYJHDGSAHYWLK-LLVKDONJSA-N 0 1 304.398 2.323 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)NC[C@@H](C)c2c(C)noc2C)n[nH]1 ZINC000160750274 524833165 /nfs/dbraw/zinc/83/31/65/524833165.db2.gz LYTSSZKQSIPPJR-ZJUUUORDSA-N 0 1 319.409 2.357 20 70 DEIDMN Cc1cccc2nc(CNC(=O)c3[nH]nc4c3CCCC4)n(C)c21 ZINC000159830199 539584137 /nfs/dbraw/zinc/58/41/37/539584137.db2.gz AJDXKNFKAHPNDC-UHFFFAOYSA-N 0 1 323.400 2.414 20 70 DEIDMN CN(C[C@H](O)C1CC1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000160794668 539588009 /nfs/dbraw/zinc/58/80/09/539588009.db2.gz LTVUSJLCVFEMEZ-CABCVRRESA-N 0 1 308.809 2.148 20 70 DEIDMN C[C@@H]1Cc2ccccc2N1C(=O)CN(C)C[C@@H]1CCC[C@@H]1O ZINC000159752692 186139560 /nfs/dbraw/zinc/13/95/60/186139560.db2.gz GXQONIJGGLWQTQ-KMFMINBZSA-N 0 1 302.418 2.057 20 70 DEIDMN Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)oc1C ZINC000161426743 291674994 /nfs/dbraw/zinc/67/49/94/291674994.db2.gz WVZBULUAXOTLKY-UHFFFAOYSA-N 0 1 315.373 2.309 20 70 DEIDMN CC[C@H](N)C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC000159834844 197368438 /nfs/dbraw/zinc/36/84/38/197368438.db2.gz RSHVSGJCLSHCLY-ZDUSSCGKSA-N 0 1 312.435 2.076 20 70 DEIDMN COc1cccc(CNCCNC(=O)OC(C)(C)C)c1OC ZINC000218118713 402294660 /nfs/dbraw/zinc/29/46/60/402294660.db2.gz AWIUWALKLXTKCD-UHFFFAOYSA-N 0 1 310.394 2.318 20 70 DEIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cnc4onc(C)c4c3)n2)o1 ZINC000160397434 402344334 /nfs/dbraw/zinc/34/43/34/402344334.db2.gz VHESBQMUECZZMF-UHFFFAOYSA-N 0 1 324.300 2.470 20 70 DEIDMN O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000161471504 402388777 /nfs/dbraw/zinc/38/87/77/402388777.db2.gz DXJYKAWZTSLSLK-IRXDYDNUSA-N 0 1 302.418 2.336 20 70 DEIDMN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000161471504 402388779 /nfs/dbraw/zinc/38/87/79/402388779.db2.gz DXJYKAWZTSLSLK-IRXDYDNUSA-N 0 1 302.418 2.336 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)c2cccc(-n3cccn3)c2)n[nH]1 ZINC000161276339 402380050 /nfs/dbraw/zinc/38/00/50/402380050.db2.gz JSCMOUGSJJFMLD-LBPRGKRZSA-N 0 1 309.373 2.265 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)Nc2cnn(C(C)(C)C)c2)n[nH]1 ZINC000161290837 402380662 /nfs/dbraw/zinc/38/06/62/402380662.db2.gz KXLBBSRQRBEHAL-SNVBAGLBSA-N 0 1 304.398 2.422 20 70 DEIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccc(=O)n3C)c2C)o1 ZINC000161467773 402388912 /nfs/dbraw/zinc/38/89/12/402388912.db2.gz VATGTGUNZVKOSF-UHFFFAOYSA-N 0 1 312.329 2.238 20 70 DEIDMN Cc1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c[nH]c1=O ZINC000159771029 402330284 /nfs/dbraw/zinc/33/02/84/402330284.db2.gz VWRHWKCWYLMOEW-MRXNPFEDSA-N 0 1 311.385 2.286 20 70 DEIDMN Cc1cc(NC(=O)[C@H]2CCCN2Cc2ccccc2)c[nH]c1=O ZINC000159771029 402330285 /nfs/dbraw/zinc/33/02/85/402330285.db2.gz VWRHWKCWYLMOEW-MRXNPFEDSA-N 0 1 311.385 2.286 20 70 DEIDMN CCOCCC1(CNC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000159998629 402335242 /nfs/dbraw/zinc/33/52/42/402335242.db2.gz PZFPFOUZSMZDRP-ZIAGYGMSSA-N 0 1 309.454 2.118 20 70 DEIDMN O=C(Cc1cccc(OC(F)F)c1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160034580 402335765 /nfs/dbraw/zinc/33/57/65/402335765.db2.gz MJIGZSMVGHBIRX-BETUJISGSA-N 0 1 310.344 2.183 20 70 DEIDMN COC(=O)c1oc([C@H](C)N2CCC(CC(N)=O)CC2)cc1C ZINC000159753472 522405748 /nfs/dbraw/zinc/40/57/48/522405748.db2.gz OQQBETYEDVFBNG-NSHDSACASA-N 0 1 308.378 2.023 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)COc2ccccc2Cl)n[nH]1 ZINC000161204977 524829289 /nfs/dbraw/zinc/82/92/89/524829289.db2.gz ZTDIKMHFBMQQLQ-JTQLQIEISA-N 0 1 307.781 2.498 20 70 DEIDMN Cc1ncc([C@H](C)N[C@@H](C)C(=O)NCc2ccccc2)c(C)n1 ZINC000161190642 527310335 /nfs/dbraw/zinc/31/03/35/527310335.db2.gz STCDLFNHRWUVJJ-JSGCOSHPSA-N 0 1 312.417 2.449 20 70 DEIDMN CN(CC(=O)NCc1cccc(Cl)c1)C[C@@H]1CCC[C@@H]1O ZINC000159650156 186133224 /nfs/dbraw/zinc/13/32/24/186133224.db2.gz KTFYQKYUAGXVQD-ZFWWWQNUSA-N 0 1 310.825 2.049 20 70 DEIDMN CN(C)C(=O)CNCc1ccc(Br)c2cccnc12 ZINC000160310195 197399195 /nfs/dbraw/zinc/39/91/95/197399195.db2.gz LZMDKOZOPFECKJ-UHFFFAOYSA-N 0 1 322.206 2.175 20 70 DEIDMN CC(C)N1CCN(C(=O)Cc2c[nH]c3cc(F)ccc23)CC1 ZINC000159890828 197371975 /nfs/dbraw/zinc/37/19/75/197371975.db2.gz BHGYXUDBUUUYPG-UHFFFAOYSA-N 0 1 303.381 2.402 20 70 DEIDMN CCc1nc(S[C@@H]2CCCN(CC(F)(F)F)C2=O)n[nH]1 ZINC000159528063 402325206 /nfs/dbraw/zinc/32/52/06/402325206.db2.gz LVMACSPYRXUPKH-SSDOTTSWSA-N 0 1 308.329 2.013 20 70 DEIDMN CCc1n[nH]c(S[C@@H]2CCCN(CC(F)(F)F)C2=O)n1 ZINC000159528063 402325208 /nfs/dbraw/zinc/32/52/08/402325208.db2.gz LVMACSPYRXUPKH-SSDOTTSWSA-N 0 1 308.329 2.013 20 70 DEIDMN CCOC(=O)C[C@@H](C)NC(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000160559510 402351456 /nfs/dbraw/zinc/35/14/56/402351456.db2.gz WVFQIQCLYVFVJF-GFCCVEGCSA-N 0 1 317.389 2.262 20 70 DEIDMN CC(C)CCn1ccc(NC(=O)N2CCN(C(C)C)CC2)n1 ZINC000161227329 402378531 /nfs/dbraw/zinc/37/85/31/402378531.db2.gz PRPUPWOABYVGHD-UHFFFAOYSA-N 0 1 307.442 2.487 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)c2cnn(-c3ccccc3)c2)n[nH]1 ZINC000161384819 402385989 /nfs/dbraw/zinc/38/59/89/402385989.db2.gz QPTGTDKHDASTEH-GFCCVEGCSA-N 0 1 309.373 2.265 20 70 DEIDMN O=C(CN1CC[C@@H]2CCCC[C@@H]21)N1CC(=O)Nc2ccccc21 ZINC000159652930 402327529 /nfs/dbraw/zinc/32/75/29/402327529.db2.gz DNFCBADKCVODKY-ZFWWWQNUSA-N 0 1 313.401 2.236 20 70 DEIDMN Cc1nc(NC(=O)[C@H](C)N(C)C[C@@H]2CCC[C@@H]2O)sc1C ZINC000159677103 402328081 /nfs/dbraw/zinc/32/80/81/402328081.db2.gz WFUFBSZXMZHBIB-DRZSPHRISA-N 0 1 311.451 2.180 20 70 DEIDMN CC(C)(C)c1noc(-c2ccccc2C(=O)N2CCNCC2)n1 ZINC000159451161 197354197 /nfs/dbraw/zinc/35/41/97/197354197.db2.gz KRXDRXNMMNDZKD-UHFFFAOYSA-N 0 1 314.389 2.080 20 70 DEIDMN O=C(Nc1ccccc1C(=O)N1CCNCC1)c1ccsc1 ZINC000159384744 197349519 /nfs/dbraw/zinc/34/95/19/197349519.db2.gz LCSBLHWZZVQQMY-UHFFFAOYSA-N 0 1 315.398 2.046 20 70 DEIDMN O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc2nc[nH]c21 ZINC000159481884 402324085 /nfs/dbraw/zinc/32/40/85/402324085.db2.gz DOHCWBAHDAJDTQ-HNNXBMFYSA-N 0 1 320.352 2.098 20 70 DEIDMN CN(CCNCc1cn2ccccc2n1)C(=O)OC(C)(C)C ZINC000218315525 402295354 /nfs/dbraw/zinc/29/53/54/402295354.db2.gz UVSBIBDUGPVOJT-UHFFFAOYSA-N 0 1 304.394 2.291 20 70 DEIDMN Cc1cccc2[nH]c(CNC(=O)CN3CCC(C)CC3)nc21 ZINC000160422111 402344612 /nfs/dbraw/zinc/34/46/12/402344612.db2.gz KJPQGLYAJDSTSI-UHFFFAOYSA-N 0 1 300.406 2.219 20 70 DEIDMN CCN(CC)[C@H](CNC(=O)N1CCC[C@@](C)(O)C1)c1ccco1 ZINC000161212289 402377442 /nfs/dbraw/zinc/37/74/42/402377442.db2.gz IDVCZXLZYALJEI-RHSMWYFYSA-N 0 1 323.437 2.219 20 70 DEIDMN COc1cc(C)ccc1OCC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000161351415 402383847 /nfs/dbraw/zinc/38/38/47/402383847.db2.gz RMUIDPFAZZPMQC-GFCCVEGCSA-N 0 1 317.389 2.161 20 70 DEIDMN Cc1ccc(-c2n[nH]c(NC(=O)Cn3ccccc3=O)c2C)o1 ZINC000161357482 402384353 /nfs/dbraw/zinc/38/43/53/402384353.db2.gz XKJZNEJRDIPYPA-UHFFFAOYSA-N 0 1 312.329 2.087 20 70 DEIDMN Cc1cccc([C@@H](NC(=O)CCc2nc[nH]n2)c2ccccn2)c1 ZINC000159799161 402330889 /nfs/dbraw/zinc/33/08/89/402330889.db2.gz NJVXHDPCGXNFAB-GOSISDBHSA-N 0 1 321.384 2.347 20 70 DEIDMN Cc1ccc(-n2ccnc2)c(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)c1 ZINC000159899378 402333031 /nfs/dbraw/zinc/33/30/31/402333031.db2.gz JDYZEVXACXAVKU-GASCZTMLSA-N 0 1 310.401 2.147 20 70 DEIDMN O=C([C@@H]1CCCCO1)N1CCCN(Cc2ccccc2)CC1 ZINC000161401094 402386631 /nfs/dbraw/zinc/38/66/31/402386631.db2.gz DVSXKXPUGWMKBY-KRWDZBQOSA-N 0 1 302.418 2.290 20 70 DEIDMN CCC[C@@H]1CN(C(=O)NC(C2CC2)C2CC2)CCN1CCOC ZINC000160100833 402336046 /nfs/dbraw/zinc/33/60/46/402336046.db2.gz FTHHWCQVIQJQLC-MRXNPFEDSA-N 0 1 323.481 2.317 20 70 DEIDMN CCOc1ccc(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1OC ZINC000161065432 520913454 /nfs/dbraw/zinc/91/34/54/520913454.db2.gz MGQQKPGJYHKRFA-NSHDSACASA-N 0 1 317.389 2.486 20 70 DEIDMN CC[C@H](C)OCC(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000161039768 521752702 /nfs/dbraw/zinc/75/27/02/521752702.db2.gz GOHUHAYDPVDLJN-HNNXBMFYSA-N 0 1 319.449 2.188 20 70 DEIDMN Cc1cc(CC(=O)NCCc2csc(C(C)(C)C)n2)[nH]n1 ZINC000160607813 524623596 /nfs/dbraw/zinc/62/35/96/524623596.db2.gz IYYZNOMVFWUERC-UHFFFAOYSA-N 0 1 306.435 2.374 20 70 DEIDMN O=C(Oc1ccccc1)N1CCCN(CCn2ccnc2)CC1 ZINC000159823860 526445796 /nfs/dbraw/zinc/44/57/96/526445796.db2.gz OZIDNVALBUDHDH-UHFFFAOYSA-N 0 1 314.389 2.090 20 70 DEIDMN C[C@@H](NCc1cn2ccccc2n1)c1cccc(-n2cnnn2)c1 ZINC000159398427 539581950 /nfs/dbraw/zinc/58/19/50/539581950.db2.gz JHJAZMSKLPASGE-CYBMUJFWSA-N 0 1 319.372 2.161 20 70 DEIDMN CN(C[C@H](O)C1CC1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000160786966 539587946 /nfs/dbraw/zinc/58/79/46/539587946.db2.gz MLFZOAOVGUYVNS-ROUUACIJSA-N 0 1 316.445 2.443 20 70 DEIDMN C[N@@H+](Cc1cc(=O)oc2cc([O-])ccc12)C[C@H]1CCC[C@@H]1O ZINC000159739526 186138448 /nfs/dbraw/zinc/13/84/48/186138448.db2.gz KVAABUONNJGUFN-ABAIWWIYSA-N 0 1 303.358 2.091 20 70 DEIDMN C[N@H+](Cc1cc(=O)oc2cc([O-])ccc12)C[C@H]1CCC[C@@H]1O ZINC000159739526 186138449 /nfs/dbraw/zinc/13/84/49/186138449.db2.gz KVAABUONNJGUFN-ABAIWWIYSA-N 0 1 303.358 2.091 20 70 DEIDMN CC(C)[C@H](CNC(=O)[C@H](C)c1ccsc1)N1CCN(C)CC1 ZINC000160056285 355964186 /nfs/dbraw/zinc/96/41/86/355964186.db2.gz PZQZATFZBUQPHW-ZBFHGGJFSA-N 0 1 323.506 2.240 20 70 DEIDMN CCOc1cc(CN2CCC(CC(N)=O)CC2)ccc1OC ZINC000159767624 197362185 /nfs/dbraw/zinc/36/21/85/197362185.db2.gz BCDVFLYBQIFWRS-UHFFFAOYSA-N 0 1 306.406 2.181 20 70 DEIDMN O=C(c1ccc(O)c(Cl)c1)N1CCC(Cn2ccnn2)CC1 ZINC000159527132 197360818 /nfs/dbraw/zinc/36/08/18/197360818.db2.gz UNKPGUZAWPIMNX-UHFFFAOYSA-N 0 1 320.780 2.190 20 70 DEIDMN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N(C)C[C@@H](C)O ZINC000159447160 197354363 /nfs/dbraw/zinc/35/43/63/197354363.db2.gz LASZSBQOXLYWEL-MNOVXSKESA-N 0 1 314.813 2.297 20 70 DEIDMN Cc1cc(Cl)ccc1OCC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159594902 402326521 /nfs/dbraw/zinc/32/65/21/402326521.db2.gz CZDLTWSYOCXFTA-OKILXGFUSA-N 0 1 308.809 2.380 20 70 DEIDMN Cn1cnnc1CN1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000160741822 402359117 /nfs/dbraw/zinc/35/91/17/402359117.db2.gz TVELXGAQMFVSFL-UHFFFAOYSA-N 0 1 319.840 2.176 20 70 DEIDMN Cc1cccc2nc(CNC(=O)c3cnc4c(c3)ncn4C)[nH]c21 ZINC000161039455 402370389 /nfs/dbraw/zinc/37/03/89/402370389.db2.gz LAINTHHTDYVWKG-UHFFFAOYSA-N 0 1 320.356 2.083 20 70 DEIDMN CCNC(=O)CN(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161389480 402385622 /nfs/dbraw/zinc/38/56/22/402385622.db2.gz FXQOWHMGDREGNJ-UHFFFAOYSA-N 0 1 300.406 2.077 20 70 DEIDMN CCn1nc(C(C)C)cc1C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000161395439 402385999 /nfs/dbraw/zinc/38/59/99/402385999.db2.gz IQZTVPPFORNRQC-NSHDSACASA-N 0 1 303.410 2.419 20 70 DEIDMN COc1ccc(C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)nn1 ZINC000161415032 402386583 /nfs/dbraw/zinc/38/65/83/402386583.db2.gz JNXVHVNNGBFGTJ-UHFFFAOYSA-N 0 1 313.317 2.337 20 70 DEIDMN CS[C@@H]1CCC[C@H](NC(=O)[C@@H]2Cc3ccccc3CN2)C1 ZINC000161122509 274179754 /nfs/dbraw/zinc/17/97/54/274179754.db2.gz DMKHZGKFGUTJFQ-XHSDSOJGSA-N 0 1 304.459 2.491 20 70 DEIDMN C[C@H](O)CN(C)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000159566519 186127988 /nfs/dbraw/zinc/12/79/88/186127988.db2.gz HGTMOJCWULWQLJ-GXFFZTMASA-N 0 1 316.323 2.123 20 70 DEIDMN O=C(NC(c1cccs1)c1cccs1)[C@H]1CNCCO1 ZINC000159927461 197373732 /nfs/dbraw/zinc/37/37/32/197373732.db2.gz JOBLVDDRKLRDEM-SNVBAGLBSA-N 0 1 308.428 2.004 20 70 DEIDMN COc1cccc([C@H](C)N[C@H](C)C(=O)NCC(F)(F)F)c1 ZINC000159838540 197368483 /nfs/dbraw/zinc/36/84/83/197368483.db2.gz UKRWFHDKJBAFPM-VHSXEESVSA-N 0 1 304.312 2.413 20 70 DEIDMN C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159509355 197358909 /nfs/dbraw/zinc/35/89/09/197358909.db2.gz PDPVPFUEBRLCBJ-PGUXBMHVSA-N 0 1 312.360 2.385 20 70 DEIDMN O=C(C[C@H]1CCOc2ccccc21)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159416484 402323473 /nfs/dbraw/zinc/32/34/73/402323473.db2.gz GAFFWJXHHZFRLJ-KFWWJZLASA-N 0 1 300.402 2.296 20 70 DEIDMN Cc1cccc2nc(CNC(=O)N(C)CC3CCOCC3)[nH]c21 ZINC000160367449 402342840 /nfs/dbraw/zinc/34/28/40/402342840.db2.gz QSKBJURCYAJLJT-UHFFFAOYSA-N 0 1 316.405 2.439 20 70 DEIDMN CCOCCOc1ccccc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160470229 402346800 /nfs/dbraw/zinc/34/68/00/402346800.db2.gz RGZPPMUBUXKKMP-GASCZTMLSA-N 0 1 318.417 2.068 20 70 DEIDMN CC(C)c1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCCC2=O)n[nH]1 ZINC000160476027 402346863 /nfs/dbraw/zinc/34/68/63/402346863.db2.gz NLUATJGQLVBYRT-SWLSCSKDSA-N 0 1 319.405 2.133 20 70 DEIDMN CCc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)n[nH]1 ZINC000161443532 402387639 /nfs/dbraw/zinc/38/76/39/402387639.db2.gz LDLYDUVMQODZNC-NSHDSACASA-N 0 1 322.409 2.054 20 70 DEIDMN CC(C)(NCC(=O)NC(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000161450346 402388118 /nfs/dbraw/zinc/38/81/18/402388118.db2.gz ZMWIGCMGOWMGQV-UHFFFAOYSA-N 0 1 304.177 2.013 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)c2cc(C)nc3onc(C)c32)n[nH]1 ZINC000161456910 402388299 /nfs/dbraw/zinc/38/82/99/402388299.db2.gz KJSXRJUMZRQVFJ-MRVPVSSYSA-N 0 1 313.361 2.232 20 70 DEIDMN CN1CCN(CCOC[C@@H]2CCCO2)[C@H](c2ccccc2)C1 ZINC000161335349 402383336 /nfs/dbraw/zinc/38/33/36/402383336.db2.gz WXZIFPZVZFDIQU-ROUUACIJSA-N 0 1 304.434 2.171 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)c2cnn(-c3ccccc3)c2)n[nH]1 ZINC000161384947 402385519 /nfs/dbraw/zinc/38/55/19/402385519.db2.gz QPTGTDKHDASTEH-LBPRGKRZSA-N 0 1 309.373 2.265 20 70 DEIDMN CCc1ccccc1OCC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000161076998 521919641 /nfs/dbraw/zinc/91/96/41/521919641.db2.gz IVJVPYGJXQSJSW-LBPRGKRZSA-N 0 1 301.390 2.407 20 70 DEIDMN COC(=O)c1ccc2[nH]cc(C(=O)CN(C)CC3CC3)c2c1 ZINC000160621174 522178857 /nfs/dbraw/zinc/17/88/57/522178857.db2.gz GGDHWGBWJMWKHR-UHFFFAOYSA-N 0 1 300.358 2.479 20 70 DEIDMN CSC1(CNC(=O)c2cccc3nc[nH]c32)CCOCC1 ZINC000159699903 186136397 /nfs/dbraw/zinc/13/63/97/186136397.db2.gz JQINDFLOSBTXRA-UHFFFAOYSA-N 0 1 305.403 2.205 20 70 DEIDMN CN(C)c1ccc(C(=O)N2CCN(CC3CC3)CC2)c(F)c1 ZINC000159528958 197360732 /nfs/dbraw/zinc/36/07/32/197360732.db2.gz AFZTVTYXNNHHMS-UHFFFAOYSA-N 0 1 305.397 2.060 20 70 DEIDMN CCn1ccnc1CNC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000217802685 402293881 /nfs/dbraw/zinc/29/38/81/402293881.db2.gz SRFVTDOBQKMNCZ-ZDUSSCGKSA-N 0 1 308.426 2.392 20 70 DEIDMN CCc1nc(S[C@H]2CCCN(CC(F)(F)F)C2=O)n[nH]1 ZINC000159528201 402325466 /nfs/dbraw/zinc/32/54/66/402325466.db2.gz LVMACSPYRXUPKH-ZETCQYMHSA-N 0 1 308.329 2.013 20 70 DEIDMN CCc1n[nH]c(S[C@H]2CCCN(CC(F)(F)F)C2=O)n1 ZINC000159528201 402325469 /nfs/dbraw/zinc/32/54/69/402325469.db2.gz LVMACSPYRXUPKH-ZETCQYMHSA-N 0 1 308.329 2.013 20 70 DEIDMN Cc1nnc(SCC(=O)N[C@@H]2CCOC3(CCCCC3)C2)[nH]1 ZINC000160539069 402350133 /nfs/dbraw/zinc/35/01/33/402350133.db2.gz AETYVROKRCNPBI-GFCCVEGCSA-N 0 1 324.450 2.203 20 70 DEIDMN Cc1n[nH]c(SCC(=O)N[C@@H]2CCOC3(CCCCC3)C2)n1 ZINC000160539069 402350135 /nfs/dbraw/zinc/35/01/35/402350135.db2.gz AETYVROKRCNPBI-GFCCVEGCSA-N 0 1 324.450 2.203 20 70 DEIDMN CCc1nc2c(s1)[C@H](NCC(=O)NCC(F)(F)F)CCC2 ZINC000160572789 402352075 /nfs/dbraw/zinc/35/20/75/402352075.db2.gz PRTPBNXYGVLWDA-MRVPVSSYSA-N 0 1 321.368 2.351 20 70 DEIDMN Cc1c([C@H](C)NCC(=O)NC(C)C)cnn1-c1ccc(F)cc1 ZINC000161000887 402368696 /nfs/dbraw/zinc/36/86/96/402368696.db2.gz PCQVCZOIABAPDW-LBPRGKRZSA-N 0 1 318.396 2.495 20 70 DEIDMN CCNC(=O)NC(=O)[C@H](C)N[C@@H](CC)c1ccc(F)cc1F ZINC000161008745 402369140 /nfs/dbraw/zinc/36/91/40/402369140.db2.gz GSRHXLVGQSSBQU-ZANVPECISA-N 0 1 313.348 2.240 20 70 DEIDMN CCNC(=O)NC(=O)[C@H](C)N[C@H](CC)c1ccc(F)cc1F ZINC000161008877 402369168 /nfs/dbraw/zinc/36/91/68/402369168.db2.gz GSRHXLVGQSSBQU-TVQRCGJNSA-N 0 1 313.348 2.240 20 70 DEIDMN C/C(=C\c1ccccc1Cl)C(=O)NCCN1CCN(C)CC1 ZINC000161141102 402374492 /nfs/dbraw/zinc/37/44/92/402374492.db2.gz DICYLEZASLMELX-BUHFOSPRSA-N 0 1 321.852 2.107 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)c2cncc(OC(C)C)c2)n[nH]1 ZINC000161192582 402377244 /nfs/dbraw/zinc/37/72/44/402377244.db2.gz QOQSQKFOZKRHNN-NSHDSACASA-N 0 1 302.378 2.261 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)Nc2cnn(C(C)(C)C)c2)n[nH]1 ZINC000161290960 402380938 /nfs/dbraw/zinc/38/09/38/402380938.db2.gz KXLBBSRQRBEHAL-JTQLQIEISA-N 0 1 304.398 2.422 20 70 DEIDMN CCCCn1ncc(NS(=O)(=O)c2c(C)n[nH]c2C)c1C ZINC000160155552 402336517 /nfs/dbraw/zinc/33/65/17/402336517.db2.gz IFFWGTJPPRUORG-UHFFFAOYSA-N 0 1 311.411 2.132 20 70 DEIDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3CC34CCOCC4)n2)o1 ZINC000160172058 402337214 /nfs/dbraw/zinc/33/72/14/402337214.db2.gz UALYPHMEUSABOT-SNVBAGLBSA-N 0 1 302.334 2.128 20 70 DEIDMN CC(=O)Nc1cc(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)ccc1C ZINC000161503236 402390112 /nfs/dbraw/zinc/39/01/12/402390112.db2.gz HRFQTJIHZPEVPP-LLVKDONJSA-N 0 1 314.389 2.346 20 70 DEIDMN COCCOc1cccc(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)c1 ZINC000161200434 524053423 /nfs/dbraw/zinc/05/34/23/524053423.db2.gz DJIGUNPFJOHTTQ-GFCCVEGCSA-N 0 1 317.389 2.104 20 70 DEIDMN COc1cccc([C@H](CNC(=O)C2=C(C)OCCC2)N(C)C)c1 ZINC000160371633 524158428 /nfs/dbraw/zinc/15/84/28/524158428.db2.gz RYRWYHDBGXEVGV-KRWDZBQOSA-N 0 1 318.417 2.499 20 70 DEIDMN CCn1cnnc1C1CCN(Cc2cnc3ccccn23)CC1 ZINC000160146466 539585043 /nfs/dbraw/zinc/58/50/43/539585043.db2.gz XPJFIUGKGKQWTC-UHFFFAOYSA-N 0 1 310.405 2.325 20 70 DEIDMN CC[C@@H](NCC(C)(C)NS(C)(=O)=O)c1ccc(F)cc1F ZINC000160903024 355966624 /nfs/dbraw/zinc/96/66/24/355966624.db2.gz FRORKERXTOGBLB-CYBMUJFWSA-N 0 1 320.405 2.333 20 70 DEIDMN O=C(NCCc1cccc(O)c1)c1c[nH]c2ccccc2c1=O ZINC000160185853 197392055 /nfs/dbraw/zinc/39/20/55/197392055.db2.gz GTPDPUOWUVVBPC-UHFFFAOYSA-N 0 1 308.337 2.206 20 70 DEIDMN Cc1nnc(NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)[nH]1 ZINC000159520069 197360197 /nfs/dbraw/zinc/36/01/97/197360197.db2.gz AKGJDWYUPRCZSY-UHFFFAOYSA-N 0 1 322.756 2.112 20 70 DEIDMN Cc1n[nH]c(NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)n1 ZINC000159520069 197360199 /nfs/dbraw/zinc/36/01/99/197360199.db2.gz AKGJDWYUPRCZSY-UHFFFAOYSA-N 0 1 322.756 2.112 20 70 DEIDMN C[C@H](O)CN(C)[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000159470282 197355689 /nfs/dbraw/zinc/35/56/89/197355689.db2.gz HJOGBWVKBBMBJS-UWVGGRQHSA-N 0 1 304.312 2.345 20 70 DEIDMN C[C@@H](NCc1cn2ccccc2n1)c1ccc(-n2cnnn2)cc1 ZINC000159439872 402323460 /nfs/dbraw/zinc/32/34/60/402323460.db2.gz IKBRVLMWQNPNGD-CYBMUJFWSA-N 0 1 319.372 2.161 20 70 DEIDMN CCc1nc(CN[C@H](C)c2cc(OC)c(OC)c(OC)c2)n[nH]1 ZINC000160313761 402340521 /nfs/dbraw/zinc/34/05/21/402340521.db2.gz CYIMKERSJCELJO-SNVBAGLBSA-N 0 1 320.393 2.244 20 70 DEIDMN O=C1[C@H](N2CC[C@]3(CCOC3)C2)CCCN1c1ccccc1F ZINC000161025449 402370065 /nfs/dbraw/zinc/37/00/65/402370065.db2.gz LXLBMIDWRWWZSV-AEFFLSMTSA-N 0 1 318.392 2.434 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)c2cccc(-n3cccn3)c2)n[nH]1 ZINC000161276221 402379933 /nfs/dbraw/zinc/37/99/33/402379933.db2.gz JSCMOUGSJJFMLD-GFCCVEGCSA-N 0 1 309.373 2.265 20 70 DEIDMN COc1cccc(OC)c1C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000161331536 402383511 /nfs/dbraw/zinc/38/35/11/402383511.db2.gz XICNKHOQHFUZAF-SNVBAGLBSA-N 0 1 303.362 2.096 20 70 DEIDMN Cc1nnc(SCC(=O)NCCc2cc3ccccc3[nH]2)[nH]1 ZINC000159624319 402327032 /nfs/dbraw/zinc/32/70/32/402327032.db2.gz AUMCGCBYXHGSDD-UHFFFAOYSA-N 0 1 315.402 2.045 20 70 DEIDMN Cc1n[nH]c(SCC(=O)NCCc2cc3ccccc3[nH]2)n1 ZINC000159624319 402327034 /nfs/dbraw/zinc/32/70/34/402327034.db2.gz AUMCGCBYXHGSDD-UHFFFAOYSA-N 0 1 315.402 2.045 20 70 DEIDMN CCc1nc(-c2ccccc2NC(=O)CN(CC)C2CC2)n[nH]1 ZINC000161344689 522120024 /nfs/dbraw/zinc/12/00/24/522120024.db2.gz XHIZTJYJZLOQAP-UHFFFAOYSA-N 0 1 313.405 2.457 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)COc2cc(C)ccc2F)n[nH]1 ZINC000161322414 524821161 /nfs/dbraw/zinc/82/11/61/524821161.db2.gz SKPJABBEYXPIFY-LLVKDONJSA-N 0 1 305.353 2.292 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)NC[C@H](C)c2c(C)noc2C)n[nH]1 ZINC000160750401 524825491 /nfs/dbraw/zinc/82/54/91/524825491.db2.gz LYTSSZKQSIPPJR-VHSXEESVSA-N 0 1 319.409 2.357 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)COc2cc(C)ccc2F)n[nH]1 ZINC000161322324 524829379 /nfs/dbraw/zinc/82/93/79/524829379.db2.gz SKPJABBEYXPIFY-NSHDSACASA-N 0 1 305.353 2.292 20 70 DEIDMN CO[N-]C(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000159562087 197361602 /nfs/dbraw/zinc/36/16/02/197361602.db2.gz ZCZFGPDBBXLISA-CYBMUJFWSA-N 0 1 302.296 2.119 20 70 DEIDMN COc1ccc(C(=O)C2CCN(CC(OC)OC)CC2)cc1 ZINC000160408048 402344279 /nfs/dbraw/zinc/34/42/79/402344279.db2.gz KZKUYIFMTFFFCV-UHFFFAOYSA-N 0 1 307.390 2.209 20 70 DEIDMN COc1cc(C)cc(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c1O ZINC000161423351 402387185 /nfs/dbraw/zinc/38/71/85/402387185.db2.gz ZNIBIZUBNLAULQ-JTQLQIEISA-N 0 1 303.362 2.102 20 70 DEIDMN CCOc1cccc([C@@H](C)NCC(=O)NCC(F)(F)F)c1 ZINC000160566341 402351405 /nfs/dbraw/zinc/35/14/05/402351405.db2.gz NIEKLQMIDUWENM-SNVBAGLBSA-N 0 1 304.312 2.414 20 70 DEIDMN CC1(C)C[C@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)CCO1 ZINC000160623540 402354571 /nfs/dbraw/zinc/35/45/71/402354571.db2.gz RZEBANFKDJSGNH-CYBMUJFWSA-N 0 1 300.362 2.159 20 70 DEIDMN CC(C)(C)c1noc(CCCC(=O)N2C[C@H]3CCC[C@@H](C2)N3)n1 ZINC000160650569 402355509 /nfs/dbraw/zinc/35/55/09/402355509.db2.gz ASJFOMMWWMNLEV-BETUJISGSA-N 0 1 320.437 2.043 20 70 DEIDMN CC[C@H](O)CCNC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000160690721 402357442 /nfs/dbraw/zinc/35/74/42/402357442.db2.gz SPLKHEFDRYXMTJ-GJZGRUSLSA-N 0 1 323.437 2.267 20 70 DEIDMN COc1c(F)ccc(F)c1C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000161320312 402382875 /nfs/dbraw/zinc/38/28/75/402382875.db2.gz JNDWTNSKSMEWOI-MRVPVSSYSA-N 0 1 309.316 2.366 20 70 DEIDMN CCNC(=O)CN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000161387617 402385841 /nfs/dbraw/zinc/38/58/41/402385841.db2.gz APDNEFFEGMZLMV-UHFFFAOYSA-N 0 1 318.396 2.216 20 70 DEIDMN O=C([C@@H]1COc2ccc(Cl)cc2C1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160082282 275006170 /nfs/dbraw/zinc/00/61/70/275006170.db2.gz WXCRZWCIVZPOMT-AEGPPILISA-N 0 1 320.820 2.244 20 70 DEIDMN CCc1ccccc1C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000161373880 521809792 /nfs/dbraw/zinc/80/97/92/521809792.db2.gz QLVMJCAJADWOGP-GJZGRUSLSA-N 0 1 304.434 2.478 20 70 DEIDMN CCc1nc(CN[C@H](C)c2ccc(N3CCCC3=O)cc2)n[nH]1 ZINC000160388092 522352130 /nfs/dbraw/zinc/35/21/30/522352130.db2.gz OJKFDEOFJAGBPY-GFCCVEGCSA-N 0 1 313.405 2.345 20 70 DEIDMN C[C@H](CNC(=O)CC/C=C/c1ccccc1)N1CCN(C)CC1 ZINC000160151434 524374791 /nfs/dbraw/zinc/37/47/91/524374791.db2.gz WMMIRQFGTBUONE-DKISHCGFSA-N 0 1 315.461 2.232 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)Nc2cccc([S@](C)=O)c2)n[nH]1 ZINC000160227637 524833222 /nfs/dbraw/zinc/83/32/22/524833222.db2.gz KCXUISMYWLAHOX-MLMJSJRWSA-N 0 1 320.418 2.208 20 70 DEIDMN CCc1nc(CN2CCN(c3ccc(F)cc3Cl)CC2)n[nH]1 ZINC000159558893 186126945 /nfs/dbraw/zinc/12/69/45/186126945.db2.gz GZPCAXNMDIJXCM-UHFFFAOYSA-N 0 1 323.803 2.482 20 70 DEIDMN CC(C)[C@H](CNC(=O)[C@@H](C)c1ccsc1)N1CCN(C)CC1 ZINC000160056014 355963092 /nfs/dbraw/zinc/96/30/92/355963092.db2.gz PZQZATFZBUQPHW-HOCLYGCPSA-N 0 1 323.506 2.240 20 70 DEIDMN C[C@](O)(CNc1ncnc2[nH]cnc21)c1ccccc1Cl ZINC000160197602 197392682 /nfs/dbraw/zinc/39/26/82/197392682.db2.gz HBDBVJLMLZJFCC-AWEZNQCLSA-N 0 1 303.753 2.326 20 70 DEIDMN C[C@H]1CCc2ccccc2N1C(=O)CN(C)C[C@@H]1CCC[C@@H]1O ZINC000159463211 197355781 /nfs/dbraw/zinc/35/57/81/197355781.db2.gz JTBJJPHDJMVWMU-ZVZYQTTQSA-N 0 1 316.445 2.447 20 70 DEIDMN Cc1nc(C)c(CCNC(=O)N2CCN(C)C[C@@H]2C(C)C)s1 ZINC000159444176 197354715 /nfs/dbraw/zinc/35/47/15/197354715.db2.gz SUFBNZITAGXBMS-CQSZACIVSA-N 0 1 324.494 2.284 20 70 DEIDMN COc1ccc(OC)c(/C=C/C(=O)N2C[C@H]3CCC[C@@H](C2)N3)c1 ZINC000159589351 402326321 /nfs/dbraw/zinc/32/63/21/402326321.db2.gz LOYFJUOTJBHJOI-QHLGLPELSA-N 0 1 316.401 2.070 20 70 DEIDMN O=C(CN[C@@H]1CCCOc2ccccc21)NCC(F)(F)F ZINC000160588632 402352300 /nfs/dbraw/zinc/35/23/00/402352300.db2.gz ZFOAUPMJHYJYCA-LLVKDONJSA-N 0 1 302.296 2.168 20 70 DEIDMN Cc1nc2c(s1)[C@H](NCC(=O)NCC(F)(F)F)CCC2 ZINC000160597573 402353292 /nfs/dbraw/zinc/35/32/92/402353292.db2.gz XFRSAAOFQBYIKD-MRVPVSSYSA-N 0 1 307.341 2.097 20 70 DEIDMN O=C(N[C@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccc(-c2nnc[nH]2)c1 ZINC000160611672 402353756 /nfs/dbraw/zinc/35/37/56/402353756.db2.gz NXWGSWAZCFIIHA-ILXRZTDVSA-N 0 1 324.384 2.159 20 70 DEIDMN Cc1ccc(-c2n[nH]c(NC(=O)CN3CCCCC3=O)c2C)o1 ZINC000161460787 402388379 /nfs/dbraw/zinc/38/83/79/402388379.db2.gz JRZRWOJBFZASMO-UHFFFAOYSA-N 0 1 316.361 2.238 20 70 DEIDMN CCc1c(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)[nH]c(C)c1C(C)=O ZINC000161140204 402374740 /nfs/dbraw/zinc/37/47/40/402374740.db2.gz YNZBNTKQAGSKAB-VIFPVBQESA-N 0 1 316.405 2.481 20 70 DEIDMN CCCS(=O)(=O)Nc1c(C)c(F)ccc1C(=O)OCC ZINC000161250734 402379478 /nfs/dbraw/zinc/37/94/78/402379478.db2.gz HDTFGAMUNXSRPM-UHFFFAOYSA-N 0 1 303.355 2.463 20 70 DEIDMN O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@@H]1CCCc2[nH]ncc21 ZINC000160026740 402335571 /nfs/dbraw/zinc/33/55/71/402335571.db2.gz YCKLPAPBXKHFKF-CHWSQXEVSA-N 0 1 303.406 2.438 20 70 DEIDMN COc1cc(CC(=O)N[C@H](C)Cc2cc(C)[nH]n2)ccc1C ZINC000161239844 522319360 /nfs/dbraw/zinc/31/93/60/522319360.db2.gz JXNVKMLCROSKKD-GFCCVEGCSA-N 0 1 301.390 2.325 20 70 DEIDMN CCc1nnsc1C(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000160199837 522820830 /nfs/dbraw/zinc/82/08/30/522820830.db2.gz UUVHAGUUIBUETO-UHFFFAOYSA-N 0 1 304.335 2.039 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)C(C)(C)NC(=O)OC(C)(C)C)n[nH]1 ZINC000161493700 524819874 /nfs/dbraw/zinc/81/98/74/524819874.db2.gz FPYMGYOSHGNXKA-SNVBAGLBSA-N 0 1 324.425 2.069 20 70 DEIDMN O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160410296 527605107 /nfs/dbraw/zinc/60/51/07/527605107.db2.gz OHEPKZSQWQEHBK-DQCUJPBYSA-N 0 1 322.412 2.238 20 70 DEIDMN C[N@H+](CC(=O)Nc1ccnn1C1CCCC1)C[C@@H]1CCC[C@@H]1O ZINC000159547292 539582779 /nfs/dbraw/zinc/58/27/79/539582779.db2.gz VTQGJSBXRLTMKI-ZFWWWQNUSA-N 0 1 320.437 2.030 20 70 DEIDMN CN(CC(=O)Nc1ccnn1C1CCCC1)C[C@@H]1CCC[C@@H]1O ZINC000159547292 539582783 /nfs/dbraw/zinc/58/27/83/539582783.db2.gz VTQGJSBXRLTMKI-ZFWWWQNUSA-N 0 1 320.437 2.030 20 70 DEIDMN [NH3+][C@H]1CCC[C@H](NC(=O)c2cc(Br)ccc2[O-])C1 ZINC000161197188 539590637 /nfs/dbraw/zinc/59/06/37/539590637.db2.gz IRTXDGWDRVIVPY-UWVGGRQHSA-N 0 1 313.195 2.154 20 70 DEIDMN Cc1nc(NC(=O)[C@@H](C)N(C)C[C@@H]2CCC[C@@H]2O)sc1C ZINC000159676995 186134750 /nfs/dbraw/zinc/13/47/50/186134750.db2.gz WFUFBSZXMZHBIB-WXHSDQCUSA-N 0 1 311.451 2.180 20 70 DEIDMN CC(C)[C@@H](CNC(=O)[C@H](C)c1ccsc1)N1CCN(C)CC1 ZINC000160056151 355964247 /nfs/dbraw/zinc/96/42/47/355964247.db2.gz PZQZATFZBUQPHW-GDBMZVCRSA-N 0 1 323.506 2.240 20 70 DEIDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1CCCCO1 ZINC000159937886 197374751 /nfs/dbraw/zinc/37/47/51/197374751.db2.gz SPAZJLJBBSRJCW-QGZVFWFLSA-N 0 1 317.433 2.254 20 70 DEIDMN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N(C)C[C@@H](C)O ZINC000159447052 197354427 /nfs/dbraw/zinc/35/44/27/197354427.db2.gz LASZSBQOXLYWEL-GHMZBOCLSA-N 0 1 314.813 2.297 20 70 DEIDMN COc1cc(C)cc(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)c1O ZINC000161423506 402387030 /nfs/dbraw/zinc/38/70/30/402387030.db2.gz ZNIBIZUBNLAULQ-SNVBAGLBSA-N 0 1 303.362 2.102 20 70 DEIDMN COC(=O)[C@H]1CCCCN1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160668451 402356307 /nfs/dbraw/zinc/35/63/07/402356307.db2.gz PNGGVJDHINIKBW-OAHLLOKOSA-N 0 1 324.465 2.299 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)CCCc2nc(C3CC3)no2)n[nH]1 ZINC000161435946 402387627 /nfs/dbraw/zinc/38/76/27/402387627.db2.gz PSOYABRIKBZFMK-JTQLQIEISA-N 0 1 317.393 2.049 20 70 DEIDMN Cc1cc(OCC(=O)N2C[C@H]3CCC[C@@H](C2)N3)ccc1Cl ZINC000160733025 402358433 /nfs/dbraw/zinc/35/84/33/402358433.db2.gz GQEVKCBEBSPUOZ-BETUJISGSA-N 0 1 308.809 2.380 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)c2cc(-c3ccncc3)on2)n[nH]1 ZINC000161093854 402372853 /nfs/dbraw/zinc/37/28/53/402372853.db2.gz WPCRQGXDJBPUNJ-JTQLQIEISA-N 0 1 311.345 2.129 20 70 DEIDMN C[C@H]1CC(=O)CC[C@H]1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000160926657 279631478 /nfs/dbraw/zinc/63/14/78/279631478.db2.gz PKOSIUUKWKMVAN-XKQJLSEDSA-N 0 1 302.418 2.411 20 70 DEIDMN CC(C)[C@@H](CNC(=O)[C@H](C)c1cccs1)N1CCN(C)CC1 ZINC000160054732 519794616 /nfs/dbraw/zinc/79/46/16/519794616.db2.gz POSXZRSBNUCNIR-HUUCEWRRSA-N 0 1 323.506 2.240 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)COc2ccccc2Cl)n[nH]1 ZINC000161204912 524823900 /nfs/dbraw/zinc/82/39/00/524823900.db2.gz ZTDIKMHFBMQQLQ-SNVBAGLBSA-N 0 1 307.781 2.498 20 70 DEIDMN O=C(Nc1ccc(COC2CCCC2)cc1)[C@H]1CNCCO1 ZINC000159603649 186130298 /nfs/dbraw/zinc/13/02/98/186130298.db2.gz BFZNEXWFSSQGQP-MRXNPFEDSA-N 0 1 304.390 2.073 20 70 DEIDMN O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccc2[nH]nnc2c1 ZINC000159701243 186136150 /nfs/dbraw/zinc/13/61/50/186136150.db2.gz BCLWSBDQMOBCBH-LBPRGKRZSA-N 0 1 300.362 2.180 20 70 DEIDMN O=C(Nc1cnn(CC(F)(F)F)c1)[C@H]1NCCc2ccccc21 ZINC000159702678 186136607 /nfs/dbraw/zinc/13/66/07/186136607.db2.gz LJNLNZBQWKRAKO-ZDUSSCGKSA-N 0 1 324.306 2.271 20 70 DEIDMN Cc1n[nH]c(C(C)C)c1C(=O)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000160154046 197390127 /nfs/dbraw/zinc/39/01/27/197390127.db2.gz OTCMUMYTSJMVCY-UHFFFAOYSA-N 0 1 322.409 2.191 20 70 DEIDMN CCCCc1cc(NS(=O)(=O)c2ccc3c(c2)CCO3)[nH]n1 ZINC000159972366 197377346 /nfs/dbraw/zinc/37/73/46/197377346.db2.gz DQQOPPQFRPCRQY-UHFFFAOYSA-N 0 1 321.402 2.488 20 70 DEIDMN O=S1(=O)NC(CSc2ccncc2)=Nc2ccccc21 ZINC000159876455 291660615 /nfs/dbraw/zinc/66/06/15/291660615.db2.gz BBJIIWUMKQMCHQ-UHFFFAOYSA-N 0 1 305.384 2.196 20 70 DEIDMN C[C@H](CCOc1ccccc1)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159397544 402322853 /nfs/dbraw/zinc/32/28/53/402322853.db2.gz HXHAORCFDBROAU-OAGGEKHMSA-N 0 1 302.418 2.445 20 70 DEIDMN Cc1nc(CCN[C@H](C)c2nnnn2-c2ccccc2)cs1 ZINC000160271970 402340084 /nfs/dbraw/zinc/34/00/84/402340084.db2.gz NZWZUCXWDBBRNW-LLVKDONJSA-N 0 1 314.418 2.321 20 70 DEIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc4c(c3)OCO4)n2)o1 ZINC000160344499 402341701 /nfs/dbraw/zinc/34/17/01/402341701.db2.gz JPNZBCFIVZEYGG-UHFFFAOYSA-N 0 1 312.285 2.354 20 70 DEIDMN CCn1nccc1C=CC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000160376835 402343491 /nfs/dbraw/zinc/34/34/91/402343491.db2.gz XQCKDLABLQDJLH-BQYQJAHWSA-N 0 1 309.373 2.417 20 70 DEIDMN CC(C)c1cc(C(=O)N2CCOC[C@H]2[C@H]2CCCCC2=O)n[nH]1 ZINC000160476414 402347225 /nfs/dbraw/zinc/34/72/25/402347225.db2.gz NLUATJGQLVBYRT-DOMZBBRYSA-N 0 1 319.405 2.133 20 70 DEIDMN CC[C@@H](O)CCNC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000160691109 402357395 /nfs/dbraw/zinc/35/73/95/402357395.db2.gz SPLKHEFDRYXMTJ-HUUCEWRRSA-N 0 1 323.437 2.267 20 70 DEIDMN COc1cccc(-c2nc(C)c(C(=O)Nc3ccn(C)n3)[nH]2)c1 ZINC000160765188 402359505 /nfs/dbraw/zinc/35/95/05/402359505.db2.gz VWYZOPDWEMMDGV-UHFFFAOYSA-N 0 1 311.345 2.380 20 70 DEIDMN COC(=O)c1ccc(S(=O)(=O)Nc2c(C)cccc2F)o1 ZINC000160812128 402361441 /nfs/dbraw/zinc/36/14/41/402361441.db2.gz IERABTQSJCSPTQ-UHFFFAOYSA-N 0 1 313.306 2.315 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)c2c[nH]nc2-c2ccccc2)n[nH]1 ZINC000161100215 402372920 /nfs/dbraw/zinc/37/29/20/402372920.db2.gz DBONTORIUDLIQA-LLVKDONJSA-N 0 1 309.373 2.469 20 70 DEIDMN Cc1ccc(-c2n[nH]c(NC(=O)C[C@@H]3COC(=O)C3)c2C)o1 ZINC000161371542 402384891 /nfs/dbraw/zinc/38/48/91/402384891.db2.gz HULPHALRPRNYAD-JTQLQIEISA-N 0 1 303.318 2.178 20 70 DEIDMN O=C(c1ccc(F)cc1OC(F)F)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159925856 402333758 /nfs/dbraw/zinc/33/37/58/402333758.db2.gz UMOWVMZASLCXSX-PHIMTYICSA-N 0 1 314.307 2.394 20 70 DEIDMN CC(=O)N1CC[C@H](C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)C1 ZINC000161507627 402389716 /nfs/dbraw/zinc/38/97/16/402389716.db2.gz GHFNDRPIWXIFHI-LBPRGKRZSA-N 0 1 316.361 2.093 20 70 DEIDMN CCc1nc(CN[C@H](C)c2cc(OC)c(OC)cc2F)n[nH]1 ZINC000160433409 522350736 /nfs/dbraw/zinc/35/07/36/522350736.db2.gz RAIHXHGRKFXXQN-SECBINFHSA-N 0 1 308.357 2.374 20 70 DEIDMN COCCOc1ccccc1C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000161462153 524057587 /nfs/dbraw/zinc/05/75/87/524057587.db2.gz CSQWAEJQPBTYQV-LBPRGKRZSA-N 0 1 317.389 2.104 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)Nc2cccc([S@@](C)=O)c2)n[nH]1 ZINC000160227755 524825893 /nfs/dbraw/zinc/82/58/93/524825893.db2.gz KCXUISMYWLAHOX-STFLBKPXSA-N 0 1 320.418 2.208 20 70 DEIDMN Cc1nc(N2CCOCC2)ccc1N[C@H](C)CCn1cccn1 ZINC000159480949 526970786 /nfs/dbraw/zinc/97/07/86/526970786.db2.gz OZEHPSZDPLQFFM-CQSZACIVSA-N 0 1 315.421 2.314 20 70 DEIDMN Cc1noc(C)c1[C@H](C)CNC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000160000281 539584818 /nfs/dbraw/zinc/58/48/18/539584818.db2.gz MAVRBKFYVHEHGF-SUNKGSAMSA-N 0 1 320.437 2.319 20 70 DEIDMN C[C@H](N)C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000159852929 197369015 /nfs/dbraw/zinc/36/90/15/197369015.db2.gz GFMAEMFFJAGFBX-LBPRGKRZSA-N 0 1 324.446 2.220 20 70 DEIDMN Cc1ccc(N2CC[C@H](N3CCN(CC4CC4)CC3)C2=O)cc1 ZINC000159406314 197351322 /nfs/dbraw/zinc/35/13/22/197351322.db2.gz RJJQMKSWYCADIY-SFHVURJKSA-N 0 1 313.445 2.128 20 70 DEIDMN CC(=O)c1cccc(O[C@H](C)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)c1 ZINC000160642042 402355070 /nfs/dbraw/zinc/35/50/70/402355070.db2.gz IIQZGCUIPGNGER-BMFZPTHFSA-N 0 1 316.401 2.009 20 70 DEIDMN CN(C)Cc1ccnc(NC(=O)C[C@@H]2CSCCS2)c1 ZINC000160875088 402363415 /nfs/dbraw/zinc/36/34/15/402363415.db2.gz MQENFHXUCMOCTQ-GFCCVEGCSA-N 0 1 311.476 2.320 20 70 DEIDMN COc1cc(OC)cc(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c1 ZINC000161343854 402384083 /nfs/dbraw/zinc/38/40/83/402384083.db2.gz PCDXQEFZINOHJQ-JTQLQIEISA-N 0 1 303.362 2.096 20 70 DEIDMN C[C@@H](O)CN1CCN(Cc2noc(C3CCCCC3)n2)C[C@H]1C ZINC000159909898 402333550 /nfs/dbraw/zinc/33/35/50/402333550.db2.gz OFJIYNOLNYMWEB-ZIAGYGMSSA-N 0 1 322.453 2.004 20 70 DEIDMN CC1(C)CCC(C(=O)N2CC[C@H](CN3CCOCC3)C2)CC1 ZINC000160709068 278193677 /nfs/dbraw/zinc/19/36/77/278193677.db2.gz XCFROOAKFJPNFP-OAHLLOKOSA-N 0 1 308.466 2.384 20 70 DEIDMN CCOC(=O)c1c(C)oc2nc(CN(C)CC3CC3)nc(N)c21 ZINC000160621036 521401824 /nfs/dbraw/zinc/40/18/24/521401824.db2.gz JIUAEXMWSKXYRY-UHFFFAOYSA-N 0 1 318.377 2.132 20 70 DEIDMN CN(CCCCS(C)(=O)=O)CCOc1ccc(Cl)cc1 ZINC000161180718 539590210 /nfs/dbraw/zinc/59/02/10/539590210.db2.gz DHKPDPSUULSTCB-UHFFFAOYSA-N 0 1 319.854 2.475 20 70 DEIDMN CCCO[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000160730977 355966138 /nfs/dbraw/zinc/96/61/38/355966138.db2.gz IXRWHUNSYWORGQ-SJORKVTESA-N 0 1 323.481 2.461 20 70 DEIDMN C[C@@H]1CN(CCCNC(=O)N2CCC3(CCC3)C2)C[C@@H](C)O1 ZINC000159808682 197365063 /nfs/dbraw/zinc/36/50/63/197365063.db2.gz WWMIPMJAXBPDTI-HUUCEWRRSA-N 0 1 309.454 2.071 20 70 DEIDMN C[C@@H](C(=O)Nc1ccc(F)cc1F)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159794132 197364826 /nfs/dbraw/zinc/36/48/26/197364826.db2.gz HMRAXRZZLRNVJN-PGUXBMHVSA-N 0 1 312.360 2.385 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)c2ncccc2OCC(F)F)n[nH]1 ZINC000161277869 402380026 /nfs/dbraw/zinc/38/00/26/402380026.db2.gz KJAFMHMCQSRASD-VIFPVBQESA-N 0 1 324.331 2.118 20 70 DEIDMN Cc1cnccc1CCNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000161322980 402382593 /nfs/dbraw/zinc/38/25/93/402382593.db2.gz KRRHNROUWPKNEU-UHFFFAOYSA-N 0 1 307.357 2.148 20 70 DEIDMN COc1c(F)ccc(F)c1C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000161320441 402382772 /nfs/dbraw/zinc/38/27/72/402382772.db2.gz JNDWTNSKSMEWOI-QMMMGPOBSA-N 0 1 309.316 2.366 20 70 DEIDMN CC(=O)Nc1cc(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)ccc1F ZINC000161400814 402386519 /nfs/dbraw/zinc/38/65/19/402386519.db2.gz AUSVDCZRLNFSSR-SECBINFHSA-N 0 1 318.352 2.177 20 70 DEIDMN CCOCCC1(CNC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000159998495 402335252 /nfs/dbraw/zinc/33/52/52/402335252.db2.gz PZFPFOUZSMZDRP-KBPBESRZSA-N 0 1 309.454 2.118 20 70 DEIDMN O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@H]1CCCc2[nH]ncc21 ZINC000160026591 402335501 /nfs/dbraw/zinc/33/55/01/402335501.db2.gz YCKLPAPBXKHFKF-OLZOCXBDSA-N 0 1 303.406 2.438 20 70 DEIDMN CC[C@@H](C)c1cc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)on1 ZINC000159426694 522419148 /nfs/dbraw/zinc/41/91/48/522419148.db2.gz UEDRGUWVYSVBPO-MGPQQGTHSA-N 0 1 323.437 2.417 20 70 DEIDMN Cc1ccc(-c2n[nH]c(NC(=O)CCCC(=O)NC(C)C)n2)o1 ZINC000160299431 525849367 /nfs/dbraw/zinc/84/93/67/525849367.db2.gz BGYQGISFDSANSN-UHFFFAOYSA-N 0 1 319.365 2.007 20 70 DEIDMN Cc1ncc([C@@H](C)N[C@@H](C)C(=O)NCc2ccccc2)c(C)n1 ZINC000161190519 527307123 /nfs/dbraw/zinc/30/71/23/527307123.db2.gz STCDLFNHRWUVJJ-OCCSQVGLSA-N 0 1 312.417 2.449 20 70 DEIDMN Cc1ccc(N2CC[C@H](N(C)C[C@@H]3CCC[C@@H]3O)C2=O)cc1 ZINC000159588793 186129265 /nfs/dbraw/zinc/12/92/65/186129265.db2.gz CWIJMQSHMAWKOZ-XIRDDKMYSA-N 0 1 302.418 2.193 20 70 DEIDMN CCO[C@@H](C)c1nc(CC(=O)N2C[C@H]3CCC[C@@H](C2)N3)cs1 ZINC000160389901 402343691 /nfs/dbraw/zinc/34/36/91/402343691.db2.gz XGSXJAPYISDOHR-RWMBFGLXSA-N 0 1 323.462 2.136 20 70 DEIDMN COc1cc([C@H](C)NCC(=O)NC(C)C)ccc1OC(F)F ZINC000160929005 402366025 /nfs/dbraw/zinc/36/60/25/402366025.db2.gz XCSSSHVKUUCSCJ-JTQLQIEISA-N 0 1 316.348 2.472 20 70 DEIDMN CCOc1cccc(CCNC(=O)C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000161472661 402388536 /nfs/dbraw/zinc/38/85/36/402388536.db2.gz XFXKMAZPRNUBMF-OAHLLOKOSA-N 0 1 322.474 2.181 20 70 DEIDMN CCOc1cccc(CCNC(=O)CN(C)[C@@H]2CCSC2)c1 ZINC000161472661 402388538 /nfs/dbraw/zinc/38/85/38/402388538.db2.gz XFXKMAZPRNUBMF-OAHLLOKOSA-N 0 1 322.474 2.181 20 70 DEIDMN CCn1nc(C(C)C)cc1C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000161395575 402385638 /nfs/dbraw/zinc/38/56/38/402385638.db2.gz IQZTVPPFORNRQC-LLVKDONJSA-N 0 1 303.410 2.419 20 70 DEIDMN COCCN1CCN(Cc2noc(C3CCCCC3)n2)C[C@@H]1C ZINC000159921046 402333499 /nfs/dbraw/zinc/33/34/99/402333499.db2.gz MVZOVURWTLKDGM-AWEZNQCLSA-N 0 1 322.453 2.270 20 70 DEIDMN C[C@@H](NC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1)c1nnc[nH]1 ZINC000160925032 525232061 /nfs/dbraw/zinc/23/20/61/525232061.db2.gz YQPZTTCRZQQDPX-BNOWGMLFSA-N 0 1 315.377 2.085 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)c2cc(F)cc3nc[nH]c32)[nH]n1 ZINC000161467043 539591988 /nfs/dbraw/zinc/59/19/88/539591988.db2.gz QPAONMNWZLVJGT-MRVPVSSYSA-N 0 1 301.325 2.095 20 70 DEIDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1CCCCO1 ZINC000159937760 197375028 /nfs/dbraw/zinc/37/50/28/197375028.db2.gz SPAZJLJBBSRJCW-KRWDZBQOSA-N 0 1 317.433 2.254 20 70 DEIDMN C[C@@H](N)C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000159853242 197368907 /nfs/dbraw/zinc/36/89/07/197368907.db2.gz GFMAEMFFJAGFBX-GFCCVEGCSA-N 0 1 324.446 2.220 20 70 DEIDMN C[C@H](O)CN(C)[C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000159441666 197353998 /nfs/dbraw/zinc/35/39/98/197353998.db2.gz MGISTONQWKTCBR-UWVGGRQHSA-N 0 1 315.211 2.089 20 70 DEIDMN Cc1nc(CCN[C@@H](C)c2nnnn2-c2ccccc2)cs1 ZINC000160271859 402340113 /nfs/dbraw/zinc/34/01/13/402340113.db2.gz NZWZUCXWDBBRNW-NSHDSACASA-N 0 1 314.418 2.321 20 70 DEIDMN O=C(C[C@@H]1CSCCS1)Nc1nc(-c2ccccn2)n[nH]1 ZINC000160544259 402350771 /nfs/dbraw/zinc/35/07/71/402350771.db2.gz BRKMLJYFPZIVOI-SECBINFHSA-N 0 1 321.431 2.044 20 70 DEIDMN O=C(CCCOc1cccc(F)c1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160655540 402355550 /nfs/dbraw/zinc/35/55/50/402355550.db2.gz LWULZNXHASCPRI-GASCZTMLSA-N 0 1 306.381 2.338 20 70 DEIDMN CN(C)C(=O)CN(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161237177 402378829 /nfs/dbraw/zinc/37/88/29/402378829.db2.gz ZOCOMZOXPSFBLN-UHFFFAOYSA-N 0 1 300.406 2.029 20 70 DEIDMN C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(C)CC1CCOCC1 ZINC000159771170 402330267 /nfs/dbraw/zinc/33/02/67/402330267.db2.gz SMLGKRVJSYJFOU-LSDHHAIUSA-N 0 1 311.470 2.175 20 70 DEIDMN CCc1c(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cnn1CC(C)C ZINC000160161171 402337318 /nfs/dbraw/zinc/33/73/18/402337318.db2.gz SRMSTHPZNPPLIG-LBPRGKRZSA-N 0 1 317.437 2.494 20 70 DEIDMN CS[C@H]1CCC[C@@H](NC(=O)[C@@H]2Cc3ccccc3CN2)C1 ZINC000161122895 274184451 /nfs/dbraw/zinc/18/44/51/274184451.db2.gz DMKHZGKFGUTJFQ-PMPSAXMXSA-N 0 1 304.459 2.491 20 70 DEIDMN C[C@@H]1CN(C[C@@H]2CCCN2c2ncc(Cl)cn2)C[C@@H](C)O1 ZINC000160466854 274350688 /nfs/dbraw/zinc/35/06/88/274350688.db2.gz YFYCWGYXDCWMMF-BZPMIXESSA-N 0 1 310.829 2.208 20 70 DEIDMN CC(C)[C@H](CNC(=O)[C@@H](C)c1cccs1)N1CCN(C)CC1 ZINC000160054615 519815574 /nfs/dbraw/zinc/81/55/74/519815574.db2.gz POSXZRSBNUCNIR-GJZGRUSLSA-N 0 1 323.506 2.240 20 70 DEIDMN CCc1nc(CN(CC(=O)OC)[C@@H](CC)c2ccccc2)n[nH]1 ZINC000159389476 522291782 /nfs/dbraw/zinc/29/17/82/522291782.db2.gz LWMNESURUDWUQY-AWEZNQCLSA-N 0 1 316.405 2.493 20 70 DEIDMN Cc1cc([C@](C)(O)CNC(=O)c2cccc3nc[nH]c32)c(C)o1 ZINC000159759600 525552477 /nfs/dbraw/zinc/55/24/77/525552477.db2.gz GTNIZDULSQQMPN-QGZVFWFLSA-N 0 1 313.357 2.410 20 70 DEIDMN COc1ccccc1[C@@H](NC(=O)[C@H](C)N(C)C)c1ccccn1 ZINC000159820320 539584411 /nfs/dbraw/zinc/58/44/11/539584411.db2.gz ZTUZNTKPJGWHEU-SUMWQHHRSA-N 0 1 313.401 2.246 20 70 DEIDMN Cc1cc(NC(=O)c2ccc(CN)o2)ccc1C(=O)N(C)C ZINC000160517492 539586345 /nfs/dbraw/zinc/58/63/45/539586345.db2.gz XMIYSXVEYSNNNV-UHFFFAOYSA-N 0 1 301.346 2.001 20 70 DEIDMN Fc1ccc(OCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000161324116 539591174 /nfs/dbraw/zinc/59/11/74/539591174.db2.gz VADMCTOZXPAFLZ-UHFFFAOYSA-N 0 1 301.365 2.422 20 70 DEIDMN CN(CC(=O)N[C@@H](c1ccccc1)C1CC1)C[C@@H]1CCC[C@@H]1O ZINC000159608426 186130650 /nfs/dbraw/zinc/13/06/50/186130650.db2.gz HBZJRQDPNNCMLP-LNLFQRSKSA-N 0 1 316.445 2.347 20 70 DEIDMN COCCN(CC(C)C)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000159812837 197366329 /nfs/dbraw/zinc/36/63/29/197366329.db2.gz WIBRVYYKKJMJRO-UHFFFAOYSA-N 0 1 302.378 2.216 20 70 DEIDMN C[C@H](C(=O)Nc1ccc(F)cc1F)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159794264 197365839 /nfs/dbraw/zinc/36/58/39/197365839.db2.gz HMRAXRZZLRNVJN-ZETOZRRWSA-N 0 1 312.360 2.385 20 70 DEIDMN O=C(CSCc1cc(-c2cccs2)on1)N1CCNCC1 ZINC000159404848 402322524 /nfs/dbraw/zinc/32/25/24/402322524.db2.gz FJNXMZGVJLXFKX-UHFFFAOYSA-N 0 1 323.443 2.068 20 70 DEIDMN C[C@@H](CCOc1ccccc1)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159397489 402322891 /nfs/dbraw/zinc/32/28/91/402322891.db2.gz HXHAORCFDBROAU-HRCADAONSA-N 0 1 302.418 2.445 20 70 DEIDMN CC(C)COC[C@H](O)CN1CCO[C@]2(CCc3ccccc32)C1 ZINC000159424132 402323453 /nfs/dbraw/zinc/32/34/53/402323453.db2.gz ZKDVAPJSHHGMTQ-IEBWSBKVSA-N 0 1 319.445 2.194 20 70 DEIDMN O=C(NC[C@@]1(O)CCc2ccccc21)c1cccc2nc[nH]c21 ZINC000159441993 402324021 /nfs/dbraw/zinc/32/40/21/402324021.db2.gz MXXGTDOYHLEUGR-SFHVURJKSA-N 0 1 307.353 2.127 20 70 DEIDMN O=C(CN[C@H]1CCCOc2ccc(F)cc21)NCC(F)(F)F ZINC000160540107 402349971 /nfs/dbraw/zinc/34/99/71/402349971.db2.gz OPKNYAOBHDHIOU-NSHDSACASA-N 0 1 320.286 2.308 20 70 DEIDMN Cc1ncsc1C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000161062901 402371686 /nfs/dbraw/zinc/37/16/86/402371686.db2.gz DMCMEZBESUGOPH-UHFFFAOYSA-N 0 1 307.394 2.452 20 70 DEIDMN CN(C)[C@H](CNC(=O)c1cccc(F)n1)c1cccc(F)c1 ZINC000161087258 402372202 /nfs/dbraw/zinc/37/22/02/402372202.db2.gz SEXYKEUHLANNSV-CQSZACIVSA-N 0 1 305.328 2.393 20 70 DEIDMN O=C(Nc1cnn(CC(F)(F)F)c1)[C@H]1Cc2ccccc2CN1 ZINC000161192343 402377296 /nfs/dbraw/zinc/37/72/96/402377296.db2.gz MQRLCNIIKQCDGO-CYBMUJFWSA-N 0 1 324.306 2.098 20 70 DEIDMN CCCNC(=O)CN(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161238651 402378801 /nfs/dbraw/zinc/37/88/01/402378801.db2.gz OZYQUMVJDGWESL-UHFFFAOYSA-N 0 1 314.433 2.467 20 70 DEIDMN CC(C)NC(=O)CN(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161238365 402379032 /nfs/dbraw/zinc/37/90/32/402379032.db2.gz VIPFSXMITYYPFH-UHFFFAOYSA-N 0 1 314.433 2.466 20 70 DEIDMN CC[C@@H](Oc1ccccc1F)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159955805 402334527 /nfs/dbraw/zinc/33/45/27/402334527.db2.gz OZOIFENSBHGBMS-VNHYZAJKSA-N 0 1 306.381 2.336 20 70 DEIDMN O=C([C@H]1CCCCO1)N1CCCN(Cc2ccccc2)CC1 ZINC000161401250 402386589 /nfs/dbraw/zinc/38/65/89/402386589.db2.gz DVSXKXPUGWMKBY-QGZVFWFLSA-N 0 1 302.418 2.290 20 70 DEIDMN O=C(C1=Cc2cc(Cl)ccc2OC1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160049089 402335773 /nfs/dbraw/zinc/33/57/73/402335773.db2.gz DTWRAIPKJBXEMA-GASCZTMLSA-N 0 1 318.804 2.469 20 70 DEIDMN CCc1nc(-c2ccccc2NC(=O)CN(CC)CC)n[nH]1 ZINC000161194074 522119852 /nfs/dbraw/zinc/11/98/52/522119852.db2.gz ZDNMENQEBFFYRM-UHFFFAOYSA-N 0 1 301.394 2.314 20 70 DEIDMN COc1ccccc1CCC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000161221622 524397332 /nfs/dbraw/zinc/39/73/32/524397332.db2.gz ULNOILMRSHLRPE-LBPRGKRZSA-N 0 1 301.390 2.407 20 70 DEIDMN CCN(Cc1ccccc1)C(=O)[C@@H](C)N(C)C[C@H](O)C1CC1 ZINC000160783294 539587585 /nfs/dbraw/zinc/58/75/85/539587585.db2.gz CLOSLPTYHHNHJQ-PBHICJAKSA-N 0 1 304.434 2.126 20 70 DEIDMN Cc1noc(C)c1[C@H](C)NC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000159950615 355963120 /nfs/dbraw/zinc/96/31/20/355963120.db2.gz HQDFBCYYDCXSPE-SMDDNHRTSA-N 0 1 308.426 2.334 20 70 DEIDMN CCOC(=O)CN(Cc1n[nH]c(CC)n1)[C@H](C)c1ccccc1 ZINC000159517116 197360037 /nfs/dbraw/zinc/36/00/37/197360037.db2.gz CENPENLWFDRKSK-CYBMUJFWSA-N 0 1 316.405 2.493 20 70 DEIDMN C[C@H](NCc1cn2ccccc2n1)c1ccc(-n2cnnn2)cc1 ZINC000159439753 402323256 /nfs/dbraw/zinc/32/32/56/402323256.db2.gz IKBRVLMWQNPNGD-ZDUSSCGKSA-N 0 1 319.372 2.161 20 70 DEIDMN CS(=O)(=O)c1ccc(CNCc2ccc(O)c(F)c2)cc1 ZINC000217825574 402293871 /nfs/dbraw/zinc/29/38/71/402293871.db2.gz ZZWMXIPWLNLXAL-UHFFFAOYSA-N 0 1 309.362 2.225 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)c2occc2Br)n[nH]1 ZINC000161424556 402387012 /nfs/dbraw/zinc/38/70/12/402387012.db2.gz CMURHLYAWYOICM-ZETCQYMHSA-N 0 1 312.167 2.435 20 70 DEIDMN COc1cc(OC)cc(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)c1 ZINC000161343721 402383807 /nfs/dbraw/zinc/38/38/07/402383807.db2.gz PCDXQEFZINOHJQ-SNVBAGLBSA-N 0 1 303.362 2.096 20 70 DEIDMN CCOCCC1(CNC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000159998751 402335222 /nfs/dbraw/zinc/33/52/22/402335222.db2.gz PZFPFOUZSMZDRP-KGLIPLIRSA-N 0 1 309.454 2.118 20 70 DEIDMN COCCOCCN(Cc1ccccc1)C(=O)c1cc(C)[nH]n1 ZINC000160217136 402338772 /nfs/dbraw/zinc/33/87/72/402338772.db2.gz NDFJHEYQYFFZON-UHFFFAOYSA-N 0 1 317.389 2.024 20 70 DEIDMN Cc1ccc(-c2n[nH]c(NC(=O)CNC(=O)C(C)(C)C)c2C)o1 ZINC000161496300 402389326 /nfs/dbraw/zinc/38/93/26/402389326.db2.gz MZHDTQNAJVHIIB-UHFFFAOYSA-N 0 1 318.377 2.387 20 70 DEIDMN CC[C@H](C(=O)N(CC)CC(=O)Nc1c(C)cccc1C)N(C)C ZINC000161101786 276540746 /nfs/dbraw/zinc/54/07/46/276540746.db2.gz IUWAHVIQXMJSLR-OAHLLOKOSA-N 0 1 319.449 2.431 20 70 DEIDMN CCN1CCC[C@H]1CNC(=O)C(F)(F)c1ccc(OC)cc1 ZINC000160332607 521654819 /nfs/dbraw/zinc/65/48/19/521654819.db2.gz XIDAUIROWXPPQY-ZDUSSCGKSA-N 0 1 312.360 2.388 20 70 DEIDMN C[N@@H+](Cc1cc(=O)oc2cc([O-])ccc12)C[C@@H]1CCC[C@@H]1O ZINC000159739365 186138442 /nfs/dbraw/zinc/13/84/42/186138442.db2.gz KVAABUONNJGUFN-NHYWBVRUSA-N 0 1 303.358 2.091 20 70 DEIDMN C[N@H+](Cc1cc(=O)oc2cc([O-])ccc12)C[C@@H]1CCC[C@@H]1O ZINC000159739365 186138443 /nfs/dbraw/zinc/13/84/43/186138443.db2.gz KVAABUONNJGUFN-NHYWBVRUSA-N 0 1 303.358 2.091 20 70 DEIDMN CCOC(=O)c1ccc(CNC(=O)c2cccc3nc[nH]c32)o1 ZINC000159822294 355962825 /nfs/dbraw/zinc/96/28/25/355962825.db2.gz QHQIVDFHUMIVMX-UHFFFAOYSA-N 0 1 313.313 2.263 20 70 DEIDMN CCCO[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000160730848 355966806 /nfs/dbraw/zinc/96/68/06/355966806.db2.gz IXRWHUNSYWORGQ-IAGOWNOFSA-N 0 1 323.481 2.461 20 70 DEIDMN COCC(C)(C)C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000160372712 197403955 /nfs/dbraw/zinc/40/39/55/197403955.db2.gz FOINRYOLQLITTN-HNNXBMFYSA-N 0 1 308.422 2.087 20 70 DEIDMN CO[N-]C(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000159561966 197361268 /nfs/dbraw/zinc/36/12/68/197361268.db2.gz ZCZFGPDBBXLISA-ZDUSSCGKSA-N 0 1 302.296 2.119 20 70 DEIDMN Cc1cccc2nc(CNC(=O)c3cccc4nc[nH]c43)cn21 ZINC000159482872 402324039 /nfs/dbraw/zinc/32/40/39/402324039.db2.gz NNSPCAYUHLOGPU-UHFFFAOYSA-N 0 1 305.341 2.449 20 70 DEIDMN CO[C@@H](C)c1nc(C)c(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)s1 ZINC000159609343 402326433 /nfs/dbraw/zinc/32/64/33/402326433.db2.gz SIRPJYUTZDUZGD-SDDRHHMPSA-N 0 1 309.435 2.125 20 70 DEIDMN O=C(NCC1(c2cccs2)CCCCC1)[C@@H]1CNCCO1 ZINC000160497550 402348111 /nfs/dbraw/zinc/34/81/11/402348111.db2.gz GNIJBKRYYPOUIS-ZDUSSCGKSA-N 0 1 308.447 2.055 20 70 DEIDMN C[C@H](NCC(=O)NCC(F)(F)F)c1ccc(F)cc1N(C)C ZINC000160600059 402353077 /nfs/dbraw/zinc/35/30/77/402353077.db2.gz WABPXLPCUPQZKR-VIFPVBQESA-N 0 1 321.318 2.221 20 70 DEIDMN Cc1nc2c(s1)[C@@H](NCC(=O)NCC(F)(F)F)CCC2 ZINC000160597700 402353106 /nfs/dbraw/zinc/35/31/06/402353106.db2.gz XFRSAAOFQBYIKD-QMMMGPOBSA-N 0 1 307.341 2.097 20 70 DEIDMN C[C@H]1Cc2ccc(F)cc2[C@@H]1NCC(=O)NCC(F)(F)F ZINC000160630657 402354260 /nfs/dbraw/zinc/35/42/60/402354260.db2.gz ALMFOIGCZGNWKX-ISVAXAHUSA-N 0 1 304.287 2.327 20 70 DEIDMN C[C@@H]1Cc2ccc(F)cc2[C@H]1NCC(=O)NCC(F)(F)F ZINC000160630773 402354454 /nfs/dbraw/zinc/35/44/54/402354454.db2.gz ALMFOIGCZGNWKX-OQPBUACISA-N 0 1 304.287 2.327 20 70 DEIDMN COC(=O)CN(C(=O)c1[nH]nc2ccccc21)C1CCCC1 ZINC000160817047 402361363 /nfs/dbraw/zinc/36/13/63/402361363.db2.gz RJAAIGDGHJWWPE-UHFFFAOYSA-N 0 1 301.346 2.121 20 70 DEIDMN Cc1ccc(-c2n[nH]c(NC(=O)C[C@H]3COC(=O)C3)c2C)o1 ZINC000161371444 402385166 /nfs/dbraw/zinc/38/51/66/402385166.db2.gz HULPHALRPRNYAD-SNVBAGLBSA-N 0 1 303.318 2.178 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)c2csc([C@H]3CCCO3)n2)n[nH]1 ZINC000160158673 402337346 /nfs/dbraw/zinc/33/73/46/402337346.db2.gz LYBQXQBJXJXCAN-TVQRCGJNSA-N 0 1 320.418 2.387 20 70 DEIDMN CC[C@@H](NCc1ccccc1N1CCOCC1)c1cnn(C)c1 ZINC000161453039 276533123 /nfs/dbraw/zinc/53/31/23/276533123.db2.gz ILIOFDRLHMLXCN-QGZVFWFLSA-N 0 1 314.433 2.498 20 70 DEIDMN CC(C)c1ccc(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000161405385 519835081 /nfs/dbraw/zinc/83/50/81/519835081.db2.gz NEIFPRFLFUALOD-GJZGRUSLSA-N 0 1 319.449 2.434 20 70 DEIDMN CCC(=O)c1cccc(NC(=O)CSc2nnc(C)[nH]2)c1 ZINC000160743254 521252433 /nfs/dbraw/zinc/25/24/33/521252433.db2.gz PRLSBVIPXAWLMI-UHFFFAOYSA-N 0 1 304.375 2.437 20 70 DEIDMN CCC(=O)c1cccc(NC(=O)CSc2nc(C)n[nH]2)c1 ZINC000160743254 521252441 /nfs/dbraw/zinc/25/24/41/521252441.db2.gz PRLSBVIPXAWLMI-UHFFFAOYSA-N 0 1 304.375 2.437 20 70 DEIDMN COC(=O)c1oc([C@@H](C)N2CCC[C@H](CNC(C)=O)C2)cc1C ZINC000159781217 522407738 /nfs/dbraw/zinc/40/77/38/522407738.db2.gz IEOIDNUPFUHWHB-TZMCWYRMSA-N 0 1 322.405 2.284 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)[C@@H](C)Sc2ccccn2)n[nH]1 ZINC000161304600 524825601 /nfs/dbraw/zinc/82/56/01/524825601.db2.gz YSOBRMXPOPUPLU-ZYHUDNBSSA-N 0 1 304.419 2.341 20 70 DEIDMN CCN(CC)C(=O)[C@H](c1ccccc1)N(C)C[C@H](O)C1CC1 ZINC000160771168 539588001 /nfs/dbraw/zinc/58/80/01/539588001.db2.gz TYRLAKCGZLIXKR-IRXDYDNUSA-N 0 1 304.434 2.299 20 70 DEIDMN CCOc1ccc(NC(=O)[C@H](C)N(C)C[C@H](O)C2CC2)cc1 ZINC000160743471 539586964 /nfs/dbraw/zinc/58/69/64/539586964.db2.gz SAGZRPKTDWZWFQ-LRDDRELGSA-N 0 1 306.406 2.115 20 70 DEIDMN COc1cc2c(c(CN3CCC(CC(N)=O)CC3)c1)O[C@H](C)C2 ZINC000159726301 186138107 /nfs/dbraw/zinc/13/81/07/186138107.db2.gz MPVVAEQURKEVHG-GFCCVEGCSA-N 0 1 318.417 2.106 20 70 DEIDMN COC[C@H](N)C(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000159440012 197353252 /nfs/dbraw/zinc/35/32/52/197353252.db2.gz HUOORQHOTNXTCH-JSGCOSHPSA-N 0 1 308.378 2.067 20 70 DEIDMN C[C@@H](NC(=O)c1cccc2nc[nH]c21)C(=O)Nc1ccccc1 ZINC000159502235 402324540 /nfs/dbraw/zinc/32/45/40/402324540.db2.gz VNIFLBZXQAPHLP-LLVKDONJSA-N 0 1 308.341 2.320 20 70 DEIDMN Cc1ccc(-c2n[nH]c(NC(=O)Cn3ncc4ccccc43)n2)o1 ZINC000160424697 402344624 /nfs/dbraw/zinc/34/46/24/402344624.db2.gz YPSWTNZWKIROIO-UHFFFAOYSA-N 0 1 322.328 2.362 20 70 DEIDMN C[N@@H+](CC(=O)NCCc1cc2ccccc2[nH]1)[C@@H]1CCSC1 ZINC000161446919 402387502 /nfs/dbraw/zinc/38/75/02/402387502.db2.gz AKZAXXIHQLGSIB-OAHLLOKOSA-N 0 1 317.458 2.264 20 70 DEIDMN CN(CC(=O)NCCc1cc2ccccc2[nH]1)[C@@H]1CCSC1 ZINC000161446919 402387506 /nfs/dbraw/zinc/38/75/06/402387506.db2.gz AKZAXXIHQLGSIB-OAHLLOKOSA-N 0 1 317.458 2.264 20 70 DEIDMN O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc(-c2nnc[nH]2)c1 ZINC000160611262 402353861 /nfs/dbraw/zinc/35/38/61/402353861.db2.gz NXWGSWAZCFIIHA-ZNMIVQPWSA-N 0 1 324.384 2.159 20 70 DEIDMN CN(C)c1cccc(CN(C)C(=O)CN(C)[C@H]2CCSC2)c1 ZINC000160613759 402353979 /nfs/dbraw/zinc/35/39/79/402353979.db2.gz RUWSVQDGEYSNMS-INIZCTEOSA-N 0 1 321.490 2.148 20 70 DEIDMN COc1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)c(C)n1 ZINC000160683243 402356695 /nfs/dbraw/zinc/35/66/95/402356695.db2.gz XRTMBEMPCOTFJD-UHFFFAOYSA-N 0 1 320.370 2.402 20 70 DEIDMN CC(=O)Nc1ccc(/C=C/C(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC000160674000 402356954 /nfs/dbraw/zinc/35/69/54/402356954.db2.gz HXCGUXBPLBNRPD-NWOVIEQLSA-N 0 1 313.401 2.011 20 70 DEIDMN COc1cccc(CN(CC(OC)OC)C[C@H]2CCCO2)c1 ZINC000160699581 402357430 /nfs/dbraw/zinc/35/74/30/402357430.db2.gz FJKBHBRBLRAMCN-MRXNPFEDSA-N 0 1 309.406 2.295 20 70 DEIDMN CS[C@H]1CCC[C@H](NC(=O)[C@@H]2Cc3ccccc3CN2)C1 ZINC000161122621 402374064 /nfs/dbraw/zinc/37/40/64/402374064.db2.gz DMKHZGKFGUTJFQ-JYJNAYRXSA-N 0 1 304.459 2.491 20 70 DEIDMN COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1CCCC[C@@H]1CO ZINC000159764139 402330310 /nfs/dbraw/zinc/33/03/10/402330310.db2.gz JVTOKSDXGKVKFC-LSDHHAIUSA-N 0 1 320.433 2.061 20 70 DEIDMN COc1ccccc1[C@H](C)N(C)C(=O)CN1CCCC[C@@H]1CO ZINC000159764139 402330311 /nfs/dbraw/zinc/33/03/11/402330311.db2.gz JVTOKSDXGKVKFC-LSDHHAIUSA-N 0 1 320.433 2.061 20 70 DEIDMN CN(C)c1cccc(C[N@@H+](C)Cc2cc(=O)n3ccccc3n2)c1 ZINC000159763100 402330325 /nfs/dbraw/zinc/33/03/25/402330325.db2.gz VVQJRYSWZXBFCN-UHFFFAOYSA-N 0 1 322.412 2.393 20 70 DEIDMN CN(C)c1cccc(CN(C)Cc2cc(=O)n3ccccc3n2)c1 ZINC000159763100 402330327 /nfs/dbraw/zinc/33/03/27/402330327.db2.gz VVQJRYSWZXBFCN-UHFFFAOYSA-N 0 1 322.412 2.393 20 70 DEIDMN CCCNC(=O)c1cccc(CN[C@@H](C)c2cnn(C)c2)c1 ZINC000160596986 519903733 /nfs/dbraw/zinc/90/37/33/519903733.db2.gz RMUKRTVJCSMUPU-ZDUSSCGKSA-N 0 1 300.406 2.411 20 70 DEIDMN CCN(Cc1ccccc1)C(=O)[C@H](C)N(C)C[C@H](O)C1CC1 ZINC000160783385 539587981 /nfs/dbraw/zinc/58/79/81/539587981.db2.gz CLOSLPTYHHNHJQ-YOEHRIQHSA-N 0 1 304.434 2.126 20 70 DEIDMN O=C(NCCCNc1ccccc1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160731749 355966438 /nfs/dbraw/zinc/96/64/38/355966438.db2.gz GTMUTRHOFLYCFM-KRWDZBQOSA-N 0 1 316.449 2.272 20 70 DEIDMN Cc1noc(C)c1C[C@H](C)NC(=O)[C@H]1NCCc2ccccc21 ZINC000160224626 197394123 /nfs/dbraw/zinc/39/41/23/197394123.db2.gz SAWKJRBPDADZLF-GTNSWQLSSA-N 0 1 313.401 2.226 20 70 DEIDMN CC(C)COC[C@@H](O)CN1CCO[C@]2(CCc3ccccc32)C1 ZINC000159424284 402323336 /nfs/dbraw/zinc/32/33/36/402323336.db2.gz ZKDVAPJSHHGMTQ-PKOBYXMFSA-N 0 1 319.445 2.194 20 70 DEIDMN O=C(NC[C@]1(O)CCc2ccccc21)c1cccc2nc[nH]c21 ZINC000159442127 402323943 /nfs/dbraw/zinc/32/39/43/402323943.db2.gz MXXGTDOYHLEUGR-GOSISDBHSA-N 0 1 307.353 2.127 20 70 DEIDMN C[C@@H]1CN(C[C@@H]2CCCN2c2ncc(Cl)cn2)C[C@H](C)O1 ZINC000160466599 402346666 /nfs/dbraw/zinc/34/66/66/402346666.db2.gz YFYCWGYXDCWMMF-SCRDCRAPSA-N 0 1 310.829 2.208 20 70 DEIDMN O=C(N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc(-c2nnc[nH]2)c1 ZINC000160611387 402353929 /nfs/dbraw/zinc/35/39/29/402353929.db2.gz NXWGSWAZCFIIHA-KKUMJFAQSA-N 0 1 324.384 2.159 20 70 DEIDMN COc1cc(C)c(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1OC ZINC000161306423 402381669 /nfs/dbraw/zinc/38/16/69/402381669.db2.gz CYHNRROKIZTLHA-NSHDSACASA-N 0 1 317.389 2.405 20 70 DEIDMN CC(=O)Nc1ccc(F)c(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)c1 ZINC000161312468 402382129 /nfs/dbraw/zinc/38/21/29/402382129.db2.gz URIIEEPLJCOFFZ-SECBINFHSA-N 0 1 318.352 2.177 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)Cc2cn(C)c3ccccc23)n[nH]1 ZINC000161375787 402385304 /nfs/dbraw/zinc/38/53/04/402385304.db2.gz DCTWHBFWZAKJFQ-GFCCVEGCSA-N 0 1 310.401 2.500 20 70 DEIDMN Cc1ccc(C(=O)CCN2CCN(C3CCOCC3)CC2)cc1 ZINC000159970938 402334215 /nfs/dbraw/zinc/33/42/15/402334215.db2.gz YEIZQIOXMCCVHU-UHFFFAOYSA-N 0 1 316.445 2.364 20 70 DEIDMN CCc1ccccc1OCC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000161077123 521920430 /nfs/dbraw/zinc/92/04/30/521920430.db2.gz IVJVPYGJXQSJSW-GFCCVEGCSA-N 0 1 301.390 2.407 20 70 DEIDMN CCc1nc(CN[C@H](CC)c2ccc3c(c2)OCCO3)n[nH]1 ZINC000160378017 522355070 /nfs/dbraw/zinc/35/50/70/522355070.db2.gz VRHSNHAPVFPDDZ-GFCCVEGCSA-N 0 1 302.378 2.379 20 70 DEIDMN COc1ccc(CCC(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000161210179 523924914 /nfs/dbraw/zinc/92/49/14/523924914.db2.gz JIEMOPHJJRKWNA-GFCCVEGCSA-N 0 1 301.390 2.407 20 70 DEIDMN C[C@@H](CC(=O)c1cccs1)NC(=O)c1[nH]nc2c1CCC2 ZINC000160933983 524402487 /nfs/dbraw/zinc/40/24/87/524402487.db2.gz QJCHGHHJSASOOA-VIFPVBQESA-N 0 1 303.387 2.351 20 70 DEIDMN COc1cccc(CCNC(=O)c2cccc(-c3nnc[nH]3)c2)c1 ZINC000160690825 525901758 /nfs/dbraw/zinc/90/17/58/525901758.db2.gz ZPJNRBOFBJVPAS-UHFFFAOYSA-N 0 1 322.368 2.453 20 70 DEIDMN CSc1ccc(NC(=O)[C@H](C)N(C)C[C@H](O)C2CC2)cc1 ZINC000160788824 539587698 /nfs/dbraw/zinc/58/76/98/539587698.db2.gz ACZWPHCKJSEIMQ-NHYWBVRUSA-N 0 1 308.447 2.438 20 70 DEIDMN CCN(C)C(=O)CCN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159678014 186134884 /nfs/dbraw/zinc/13/48/84/186134884.db2.gz QVOFCPRGXBRLSY-SFHVURJKSA-N 0 1 302.418 2.029 20 70 DEIDMN COc1ccc(-c2n[nH]c(SCc3nnc(C)n3C)n2)cc1 ZINC000160987307 355967386 /nfs/dbraw/zinc/96/73/86/355967386.db2.gz QTNPEMNOLGUIKI-UHFFFAOYSA-N 0 1 316.390 2.210 20 70 DEIDMN COc1cccc([C@@H](C)N[C@H](C)C(=O)NCC(F)(F)F)c1 ZINC000159838283 197368488 /nfs/dbraw/zinc/36/84/88/197368488.db2.gz UKRWFHDKJBAFPM-NXEZZACHSA-N 0 1 304.312 2.413 20 70 DEIDMN O=C(c1cccc(COc2cccc(F)c2)c1)N1CCNCC1 ZINC000159391769 197350797 /nfs/dbraw/zinc/35/07/97/197350797.db2.gz BLXLGFDSUAFZGP-UHFFFAOYSA-N 0 1 314.360 2.450 20 70 DEIDMN CCN(CC)[C@H](CNC(=O)N1CCC[C@](C)(O)C1)c1ccco1 ZINC000161212564 284815843 /nfs/dbraw/zinc/81/58/43/284815843.db2.gz IDVCZXLZYALJEI-PBHICJAKSA-N 0 1 323.437 2.219 20 70 DEIDMN CCc1nc(CN[C@@H](C)c2cc(OC)c(OC)c(OC)c2)n[nH]1 ZINC000160313630 402340290 /nfs/dbraw/zinc/34/02/90/402340290.db2.gz CYIMKERSJCELJO-JTQLQIEISA-N 0 1 320.393 2.244 20 70 DEIDMN CC[C@@H](O)CCNC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000160690810 402357378 /nfs/dbraw/zinc/35/73/78/402357378.db2.gz SPLKHEFDRYXMTJ-CABCVRRESA-N 0 1 323.437 2.267 20 70 DEIDMN CS[C@@H]1CCC[C@@H](NC(=O)[C@@H]2Cc3ccccc3CN2)C1 ZINC000161122758 402374005 /nfs/dbraw/zinc/37/40/05/402374005.db2.gz DMKHZGKFGUTJFQ-OAGGEKHMSA-N 0 1 304.459 2.491 20 70 DEIDMN O=C(Nc1cnn(CC(F)(F)F)c1)[C@@H]1Cc2ccccc2CN1 ZINC000161192447 402376995 /nfs/dbraw/zinc/37/69/95/402376995.db2.gz MQRLCNIIKQCDGO-ZDUSSCGKSA-N 0 1 324.306 2.098 20 70 DEIDMN O=C(Nc1ccc(OC2CCCC2)c(F)c1)[C@H]1CNCCO1 ZINC000161335790 402383584 /nfs/dbraw/zinc/38/35/84/402383584.db2.gz MJGSKOWHRRKAMG-OAHLLOKOSA-N 0 1 308.353 2.074 20 70 DEIDMN COc1ccccc1[C@@H](C)N(C)C(=O)C[N@H+]1CCCC[C@@H]1CO ZINC000159764239 402330304 /nfs/dbraw/zinc/33/03/04/402330304.db2.gz JVTOKSDXGKVKFC-HUUCEWRRSA-N 0 1 320.433 2.061 20 70 DEIDMN COc1ccccc1[C@@H](C)N(C)C(=O)CN1CCCC[C@@H]1CO ZINC000159764239 402330305 /nfs/dbraw/zinc/33/03/05/402330305.db2.gz JVTOKSDXGKVKFC-HUUCEWRRSA-N 0 1 320.433 2.061 20 70 DEIDMN CCOCCC1(CNC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000159998375 402334846 /nfs/dbraw/zinc/33/48/46/402334846.db2.gz PZFPFOUZSMZDRP-UONOGXRCSA-N 0 1 309.454 2.118 20 70 DEIDMN CCCOc1cccc(CCNC(=O)Cc2cc(C)n[nH]2)c1 ZINC000159732654 520451137 /nfs/dbraw/zinc/45/11/37/520451137.db2.gz CVSBETCXBJNBDL-UHFFFAOYSA-N 0 1 301.390 2.408 20 70 DEIDMN CCOCCC1(CNC(=O)c2ccc3[nH]nnc3c2)CCC1 ZINC000159562518 521690616 /nfs/dbraw/zinc/69/06/16/521690616.db2.gz YUQABGBARUBRLW-UHFFFAOYSA-N 0 1 302.378 2.285 20 70 DEIDMN CCNC(=O)CNCc1ccc(Br)c2cccnc12 ZINC000160312574 539585846 /nfs/dbraw/zinc/58/58/46/539585846.db2.gz HAPDUQUFNMGBCT-UHFFFAOYSA-N 0 1 322.206 2.223 20 70 DEIDMN CCN(Cc1cccc(F)c1)C(=O)CN(C)C[C@@H]1CCC[C@@H]1O ZINC000159696465 186136302 /nfs/dbraw/zinc/13/63/02/186136302.db2.gz JIRCLNUBTOEHII-RDJZCZTQSA-N 0 1 322.424 2.267 20 70 DEIDMN CN1CCC[C@@H]1C(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000160216643 197393415 /nfs/dbraw/zinc/39/34/15/197393415.db2.gz ARHXQIPTNPDDPN-NEPJUHHUSA-N 0 1 317.216 2.237 20 70 DEIDMN C[C@H](O)CN(C)[C@@H](C)C(=O)Nc1ccccc1Br ZINC000159525498 197360643 /nfs/dbraw/zinc/36/06/43/197360643.db2.gz HGXCVPWYFYRRRT-UWVGGRQHSA-N 0 1 315.211 2.089 20 70 DEIDMN C[C@@H](O)C[C@@H](CNC(=O)c1ccc2[nH]nnc2c1)c1ccccc1 ZINC000159402310 197350519 /nfs/dbraw/zinc/35/05/19/197350519.db2.gz HAOAPKDTDQJYIM-DOMZBBRYSA-N 0 1 324.384 2.242 20 70 DEIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc(C(C)C)[nH]n3)n2)o1 ZINC000160429735 402345352 /nfs/dbraw/zinc/34/53/52/402345352.db2.gz OVLSFOHKFYVRFK-UHFFFAOYSA-N 0 1 300.322 2.472 20 70 DEIDMN O=C(c1ccc(N2CCCC2)c(F)c1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160595227 402352915 /nfs/dbraw/zinc/35/29/15/402352915.db2.gz QFBFHSQYRCHEPP-GASCZTMLSA-N 0 1 317.408 2.392 20 70 DEIDMN C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCC(=O)NCC(F)(F)F ZINC000160630552 402354341 /nfs/dbraw/zinc/35/43/41/402354341.db2.gz ALMFOIGCZGNWKX-AMIZOPFISA-N 0 1 304.287 2.327 20 70 DEIDMN CN(C)C(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000161079039 402371945 /nfs/dbraw/zinc/37/19/45/402371945.db2.gz AEWRSZGSFFWCFM-SNVBAGLBSA-N 0 1 313.283 2.184 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)c2cccc(-n3ccnc3)c2)n[nH]1 ZINC000161167145 402376185 /nfs/dbraw/zinc/37/61/85/402376185.db2.gz SRDCOOOHRCJVIP-GFCCVEGCSA-N 0 1 309.373 2.265 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)c2ccc(Cn3cccn3)cc2)n[nH]1 ZINC000161225797 402378187 /nfs/dbraw/zinc/37/81/87/402378187.db2.gz VKVAYLXQWLCOOE-CYBMUJFWSA-N 0 1 323.400 2.324 20 70 DEIDMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)CC1CCOCC1 ZINC000159771016 402330383 /nfs/dbraw/zinc/33/03/83/402330383.db2.gz SMLGKRVJSYJFOU-HUUCEWRRSA-N 0 1 311.470 2.175 20 70 DEIDMN COc1cc(CCC(=O)N[C@H](C)c2nnc[nH]2)ccc1Cl ZINC000159835757 402331537 /nfs/dbraw/zinc/33/15/37/402331537.db2.gz LXZUMBLWBCWIMG-SECBINFHSA-N 0 1 308.769 2.277 20 70 DEIDMN COCCN1CCN(Cc2noc(C3CCCCC3)n2)C[C@H]1C ZINC000159920921 402333452 /nfs/dbraw/zinc/33/34/52/402333452.db2.gz MVZOVURWTLKDGM-CQSZACIVSA-N 0 1 322.453 2.270 20 70 DEIDMN C[C@@H](O)CN1CCN(Cc2noc(C3CCCCC3)n2)C[C@@H]1C ZINC000159910035 402333715 /nfs/dbraw/zinc/33/37/15/402333715.db2.gz OFJIYNOLNYMWEB-UONOGXRCSA-N 0 1 322.453 2.004 20 70 DEIDMN CCc1nc(CN[C@@H](C)c2cccc(N3CCOC3=O)c2)n[nH]1 ZINC000160387399 522348373 /nfs/dbraw/zinc/34/83/73/522348373.db2.gz FMPNSTJODOYWKN-NSHDSACASA-N 0 1 315.377 2.175 20 70 DEIDMN COCCOc1ccccc1C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000161462030 524057981 /nfs/dbraw/zinc/05/79/81/524057981.db2.gz CSQWAEJQPBTYQV-GFCCVEGCSA-N 0 1 317.389 2.104 20 70 DEIDMN CCOC(=O)c1nnc(NC(=O)c2cc(C(C)C)on2)s1 ZINC000160909480 355966042 /nfs/dbraw/zinc/96/60/42/355966042.db2.gz VYIVGLXZTOZUBJ-UHFFFAOYSA-N 0 1 310.335 2.079 20 70 DEIDMN CN1CCC[C@H]1C(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000160216779 197393270 /nfs/dbraw/zinc/39/32/70/197393270.db2.gz ARHXQIPTNPDDPN-RYUDHWBXSA-N 0 1 317.216 2.237 20 70 DEIDMN Cc1c(C(=O)N[C@@H](C)c2nnc[nH]2)cnn1-c1cc(C)ccc1C ZINC000159835375 197367937 /nfs/dbraw/zinc/36/79/37/197367937.db2.gz JPOCUCSASPLMBF-LBPRGKRZSA-N 0 1 324.388 2.407 20 70 DEIDMN CCOc1cccc([C@H](C)NCC(=O)NCC(F)(F)F)c1 ZINC000160566477 402351246 /nfs/dbraw/zinc/35/12/46/402351246.db2.gz NIEKLQMIDUWENM-JTQLQIEISA-N 0 1 304.312 2.414 20 70 DEIDMN COC(=O)CN(C(=O)c1cccc2c[nH]nc21)C1CCCC1 ZINC000160825349 402362048 /nfs/dbraw/zinc/36/20/48/402362048.db2.gz LDBPXEDKUJWPKF-UHFFFAOYSA-N 0 1 301.346 2.121 20 70 DEIDMN CC(C)CCn1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000160882274 402364372 /nfs/dbraw/zinc/36/43/72/402364372.db2.gz QQMNMFYEIDBWHF-AWEZNQCLSA-N 0 1 307.442 2.393 20 70 DEIDMN CCN(Cc1cnn(C)c1)C[C@H](O)COc1cc(C)cc(C)c1 ZINC000161145400 402375160 /nfs/dbraw/zinc/37/51/60/402375160.db2.gz AYUNZJCJQMDSBM-KRWDZBQOSA-N 0 1 317.433 2.299 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)n[nH]1 ZINC000161349684 402384189 /nfs/dbraw/zinc/38/41/89/402384189.db2.gz CHEAFXRWRGXSCI-BKQLOGFTSA-N 0 1 303.406 2.161 20 70 DEIDMN CC(=O)N[C@H](C)C(=O)Nc1nc(-c2cccc3ccccc32)n[nH]1 ZINC000159629286 402326928 /nfs/dbraw/zinc/32/69/28/402326928.db2.gz FAZCVMMLKOLKAW-SNVBAGLBSA-N 0 1 323.356 2.088 20 70 DEIDMN CC(C)[C@@H]1CN(C)CCN1C(=O)N[C@@H](C)c1cccc(O)c1 ZINC000159786637 402331066 /nfs/dbraw/zinc/33/10/66/402331066.db2.gz BEXFAGFSYMOHLP-BBRMVZONSA-N 0 1 305.422 2.435 20 70 DEIDMN CC[N@H+]1CCCN(C(=O)N[C@@H]2COc3ccc(C)cc32)CC1 ZINC000159999920 402334992 /nfs/dbraw/zinc/33/49/92/402334992.db2.gz MTFVUTLIRCBSFN-OAHLLOKOSA-N 0 1 303.406 2.166 20 70 DEIDMN C[C@H](N[C@@H](CN1CCCC1=O)c1ccccc1)c1cnn(C)c1 ZINC000160714387 289996768 /nfs/dbraw/zinc/99/67/68/289996768.db2.gz UZGBXBCEWSQDJN-YOEHRIQHSA-N 0 1 312.417 2.434 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)[C@@H](C)Sc2ccccn2)n[nH]1 ZINC000161304732 524832701 /nfs/dbraw/zinc/83/27/01/524832701.db2.gz YSOBRMXPOPUPLU-CMPLNLGQSA-N 0 1 304.419 2.341 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)NC[C@H](C)c2c(C)noc2C)n[nH]1 ZINC000160750523 524834263 /nfs/dbraw/zinc/83/42/63/524834263.db2.gz LYTSSZKQSIPPJR-UWVGGRQHSA-N 0 1 319.409 2.357 20 70 DEIDMN Cc1nc(N2CCOCC2)ccc1N[C@@H](C)CCn1cccn1 ZINC000159480834 526971436 /nfs/dbraw/zinc/97/14/36/526971436.db2.gz OZEHPSZDPLQFFM-AWEZNQCLSA-N 0 1 315.421 2.314 20 70 DEIDMN CC(C)NC(=O)CN[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000160925436 539588479 /nfs/dbraw/zinc/58/84/79/539588479.db2.gz DPTFRVGKZCNDGW-NSHDSACASA-N 0 1 303.406 2.092 20 70 DEIDMN CCCC(=O)NC[C@@H]1CCCN(Cc2cnc3ccccn23)C1 ZINC000159542584 402325291 /nfs/dbraw/zinc/32/52/91/402325291.db2.gz IWKMRTDGFGLLCC-HNNXBMFYSA-N 0 1 314.433 2.463 20 70 DEIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(=O)n(C)c3)c2C)o1 ZINC000161425486 402387198 /nfs/dbraw/zinc/38/71/98/402387198.db2.gz UGQQVUQITCMCAW-UHFFFAOYSA-N 0 1 312.329 2.238 20 70 DEIDMN CCOC(=O)C[C@H](C)NC(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000160559650 402351128 /nfs/dbraw/zinc/35/11/28/402351128.db2.gz WVFQIQCLYVFVJF-LBPRGKRZSA-N 0 1 317.389 2.262 20 70 DEIDMN CN(Cc1nccn1Cc1ccccc1)c1ncnc2[nH]cnc21 ZINC000159711157 402329075 /nfs/dbraw/zinc/32/90/75/402329075.db2.gz HXRXCEZGVHYSJM-UHFFFAOYSA-N 0 1 319.372 2.234 20 70 DEIDMN CCc1nc(CN[C@@H](CC)c2ccc3c(c2)OCCO3)n[nH]1 ZINC000160377939 522350264 /nfs/dbraw/zinc/35/02/64/522350264.db2.gz VRHSNHAPVFPDDZ-LBPRGKRZSA-N 0 1 302.378 2.379 20 70 DEIDMN CCc1nc(CN[C@H](C)c2cccc(N3CCCC3=O)c2)n[nH]1 ZINC000160389723 522355922 /nfs/dbraw/zinc/35/59/22/522355922.db2.gz SHEYHLIWBCDFFC-GFCCVEGCSA-N 0 1 313.405 2.345 20 70 DEIDMN O=C(CN[C@@H]1CSCCc2ccccc21)NCC(F)(F)F ZINC000160604661 402353298 /nfs/dbraw/zinc/35/32/98/402353298.db2.gz JZTDMFPKOUFPMV-GFCCVEGCSA-N 0 1 318.364 2.285 20 70 DEIDMN CCOc1ccccc1[C@@H](C)NCC(=O)NCC(F)(F)F ZINC000160607170 402353636 /nfs/dbraw/zinc/35/36/36/402353636.db2.gz QFGQJDQEXNGBBC-SNVBAGLBSA-N 0 1 304.312 2.414 20 70 DEIDMN COc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)c(C)n1 ZINC000160665540 402355956 /nfs/dbraw/zinc/35/59/56/402355956.db2.gz GABVPZJKIOOABQ-UHFFFAOYSA-N 0 1 314.313 2.478 20 70 DEIDMN CCN(CCOc1cccc(C(=O)OC)c1)Cc1cnn(C)c1 ZINC000161136637 402374507 /nfs/dbraw/zinc/37/45/07/402374507.db2.gz YGRZGMVKXAFTMP-UHFFFAOYSA-N 0 1 317.389 2.108 20 70 DEIDMN COC(=O)Nc1ccc(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000161348886 402383770 /nfs/dbraw/zinc/38/37/70/402383770.db2.gz UDMYMVXRJYNKDT-SNVBAGLBSA-N 0 1 316.361 2.257 20 70 DEIDMN CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000161391147 402385657 /nfs/dbraw/zinc/38/56/57/402385657.db2.gz PGBDEIDDIPZWCY-XHSDSOJGSA-N 0 1 311.470 2.053 20 70 DEIDMN CCOCCCN1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000160029575 402335744 /nfs/dbraw/zinc/33/57/44/402335744.db2.gz OAOIREKPXXZFLO-UHFFFAOYSA-N 0 1 304.434 2.108 20 70 DEIDMN CCc1c(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)cnn1CC(C)C ZINC000160161301 402337199 /nfs/dbraw/zinc/33/71/99/402337199.db2.gz SRMSTHPZNPPLIG-GFCCVEGCSA-N 0 1 317.437 2.494 20 70 DEIDMN CC(=O)N1CC[C@@H](C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)C1 ZINC000161507513 402389828 /nfs/dbraw/zinc/38/98/28/402389828.db2.gz GHFNDRPIWXIFHI-GFCCVEGCSA-N 0 1 316.361 2.093 20 70 DEIDMN C[C@@H](NCc1ccccc1CN1CCOCC1)c1cnccn1 ZINC000160460854 287041584 /nfs/dbraw/zinc/04/15/84/287041584.db2.gz IPLQEHKZIHFXJI-OAHLLOKOSA-N 0 1 312.417 2.160 20 70 DEIDMN CCc1ccccc1C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000161373586 521810906 /nfs/dbraw/zinc/81/09/06/521810906.db2.gz QLVMJCAJADWOGP-GASCZTMLSA-N 0 1 304.434 2.478 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)C(C)(C)NC(=O)OC(C)(C)C)n[nH]1 ZINC000161493824 524827449 /nfs/dbraw/zinc/82/74/49/524827449.db2.gz FPYMGYOSHGNXKA-JTQLQIEISA-N 0 1 324.425 2.069 20 70 DEIDMN C[C@@H](Oc1ccccc1Cl)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160307079 525957435 /nfs/dbraw/zinc/95/74/35/525957435.db2.gz NQFMRMAVRWDIOM-UPJWGTAASA-N 0 1 308.809 2.460 20 70 DEIDMN CN(CCCCS(C)(=O)=O)CCOc1cccc(Cl)c1 ZINC000161296204 539590059 /nfs/dbraw/zinc/59/00/59/539590059.db2.gz XLUVEZQGQHINKQ-UHFFFAOYSA-N 0 1 319.854 2.475 20 70 DEIDMN CCc1nc(CN(Cc2ccc(O)c(OC)c2)C2CC2)n[nH]1 ZINC000159611944 186130764 /nfs/dbraw/zinc/13/07/64/186130764.db2.gz SDNBMCACBSVVSR-UHFFFAOYSA-N 0 1 302.378 2.246 20 70 DEIDMN O=C(CN[C@H]1CSCCc2ccccc21)NCC(F)(F)F ZINC000160604523 283852667 /nfs/dbraw/zinc/85/26/67/283852667.db2.gz JZTDMFPKOUFPMV-LBPRGKRZSA-N 0 1 318.364 2.285 20 70 DEIDMN Cc1onc(-c2ccncc2)c1C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000159911190 197373085 /nfs/dbraw/zinc/37/30/85/197373085.db2.gz CPSCBTLTKSFAAO-CQSZACIVSA-N 0 1 314.389 2.211 20 70 DEIDMN CN(C[C@@H]1CCC[C@@H]1O)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000159806318 197365754 /nfs/dbraw/zinc/36/57/54/197365754.db2.gz FAQSMDCNHNWDKB-XIRDDKMYSA-N 0 1 302.418 2.099 20 70 DEIDMN CO[C@H](C)c1nc(C)c(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)s1 ZINC000159609235 402326349 /nfs/dbraw/zinc/32/63/49/402326349.db2.gz SIRPJYUTZDUZGD-UTUOFQBUSA-N 0 1 309.435 2.125 20 70 DEIDMN COCCNCC(=O)Nc1nc2ccccc2n1C1CCCC1 ZINC000160532077 402349850 /nfs/dbraw/zinc/34/98/50/402349850.db2.gz JVIGFESMQNAPFD-UHFFFAOYSA-N 0 1 316.405 2.326 20 70 DEIDMN Cc1nnc(SCC(=O)N[C@H]2CCOC3(CCCCC3)C2)[nH]1 ZINC000160539204 402350179 /nfs/dbraw/zinc/35/01/79/402350179.db2.gz AETYVROKRCNPBI-LBPRGKRZSA-N 0 1 324.450 2.203 20 70 DEIDMN Cc1n[nH]c(SCC(=O)N[C@H]2CCOC3(CCCCC3)C2)n1 ZINC000160539204 402350181 /nfs/dbraw/zinc/35/01/81/402350181.db2.gz AETYVROKRCNPBI-LBPRGKRZSA-N 0 1 324.450 2.203 20 70 DEIDMN CCNC(=O)NC(=O)[C@@H](C)N[C@H](CC)c1ccc(F)cc1F ZINC000161009111 402369546 /nfs/dbraw/zinc/36/95/46/402369546.db2.gz GSRHXLVGQSSBQU-NOZJJQNGSA-N 0 1 313.348 2.240 20 70 DEIDMN O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cccc(F)n1 ZINC000161472460 402388600 /nfs/dbraw/zinc/38/86/00/402388600.db2.gz MUDZJGCQBJTUHM-UHFFFAOYSA-N 0 1 313.376 2.399 20 70 DEIDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CC34CCOCC4)n2)o1 ZINC000160171922 402337411 /nfs/dbraw/zinc/33/74/11/402337411.db2.gz UALYPHMEUSABOT-JTQLQIEISA-N 0 1 302.334 2.128 20 70 DEIDMN C[C@@H](O)CN(C)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000159566650 274266326 /nfs/dbraw/zinc/26/63/26/274266326.db2.gz HGTMOJCWULWQLJ-ZWNOBZJWSA-N 0 1 316.323 2.123 20 70 DEIDMN CSc1ccccc1NC(=O)[C@H](C)N(C)C[C@H](O)C1CC1 ZINC000160766985 539587961 /nfs/dbraw/zinc/58/79/61/539587961.db2.gz DZGLJYFBYJNCPZ-FZMZJTMJSA-N 0 1 308.447 2.438 20 70 DEIDMN CC(C)c1cc(CNC(=O)N2CCN(C)C[C@H]2C(C)C)on1 ZINC000160000542 355962996 /nfs/dbraw/zinc/96/29/96/355962996.db2.gz VUDYDGJTDMZBOY-HNNXBMFYSA-N 0 1 308.426 2.280 20 70 DEIDMN Cc1noc(C)c1[C@@H](C)NC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000159950493 355963151 /nfs/dbraw/zinc/96/31/51/355963151.db2.gz HQDFBCYYDCXSPE-BXUZGUMPSA-N 0 1 308.426 2.334 20 70 DEIDMN C[C@@](O)(CNc1ccncc1C(N)=O)c1ccccc1Cl ZINC000160157769 197389669 /nfs/dbraw/zinc/38/96/69/197389669.db2.gz KKCFBEXPPGYWKJ-OAHLLOKOSA-N 0 1 305.765 2.154 20 70 DEIDMN O=C(NC(c1cccs1)c1cccs1)[C@@H]1CNCCO1 ZINC000159927331 197373993 /nfs/dbraw/zinc/37/39/93/197373993.db2.gz JOBLVDDRKLRDEM-JTQLQIEISA-N 0 1 308.428 2.004 20 70 DEIDMN C[C@H](NC(=O)c1cccc2nc[nH]c21)C(=O)Nc1ccccc1 ZINC000159502097 402324733 /nfs/dbraw/zinc/32/47/33/402324733.db2.gz VNIFLBZXQAPHLP-NSHDSACASA-N 0 1 308.341 2.320 20 70 DEIDMN CC[C@H](O)CCNC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000160690961 402357255 /nfs/dbraw/zinc/35/72/55/402357255.db2.gz SPLKHEFDRYXMTJ-LSDHHAIUSA-N 0 1 323.437 2.267 20 70 DEIDMN COc1cccc(CN(CC(OC)OC)C[C@@H]2CCCO2)c1 ZINC000160699463 402357493 /nfs/dbraw/zinc/35/74/93/402357493.db2.gz FJKBHBRBLRAMCN-INIZCTEOSA-N 0 1 309.406 2.295 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)c2cc(C)nc3onc(C)c32)n[nH]1 ZINC000161457044 402388261 /nfs/dbraw/zinc/38/82/61/402388261.db2.gz KJSXRJUMZRQVFJ-QMMMGPOBSA-N 0 1 313.361 2.232 20 70 DEIDMN O=C(NCCOC1CCCC1)c1cccc(-c2nnc[nH]2)c1 ZINC000161242188 402378732 /nfs/dbraw/zinc/37/87/32/402378732.db2.gz JWCLALQQGUEGFJ-UHFFFAOYSA-N 0 1 300.362 2.161 20 70 DEIDMN C[C@@H]1CC(=O)CC[C@@H]1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000160926260 287194594 /nfs/dbraw/zinc/19/45/94/287194594.db2.gz PKOSIUUKWKMVAN-COXVUDFISA-N 0 1 302.418 2.411 20 70 DEIDMN CC(C)c1ccc(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000161405245 519835119 /nfs/dbraw/zinc/83/51/19/519835119.db2.gz NEIFPRFLFUALOD-GASCZTMLSA-N 0 1 319.449 2.434 20 70 DEIDMN Cc1cc(C[C@@H](C)NC(=O)CCCNC(=O)OC(C)(C)C)n[nH]1 ZINC000161102171 524819390 /nfs/dbraw/zinc/81/93/90/524819390.db2.gz ZSNXRBKMVMBVED-LLVKDONJSA-N 0 1 324.425 2.070 20 70 DEIDMN Cc1noc(C)c1[C@H](C)CNC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000160000082 539584849 /nfs/dbraw/zinc/58/48/49/539584849.db2.gz MAVRBKFYVHEHGF-UHIISALHSA-N 0 1 320.437 2.319 20 70 DEIDMN Cc1ccc(-c2n[nH]c(NC(=O)CN(C)c3ccccc3)n2)o1 ZINC000160249625 539585880 /nfs/dbraw/zinc/58/58/80/539585880.db2.gz UYTZMWKQKISDEG-UHFFFAOYSA-N 0 1 311.345 2.448 20 70 DEIDMN O=C(NCCCNc1ccccc1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160731633 355966847 /nfs/dbraw/zinc/96/68/47/355966847.db2.gz GTMUTRHOFLYCFM-QGZVFWFLSA-N 0 1 316.449 2.272 20 70 DEIDMN CN(C[C@H]1CCC[C@@H]1O)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000159806451 197365396 /nfs/dbraw/zinc/36/53/96/197365396.db2.gz FAQSMDCNHNWDKB-PVAVHDDUSA-N 0 1 302.418 2.099 20 70 DEIDMN CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1ccsc1 ZINC000159458224 197355370 /nfs/dbraw/zinc/35/53/70/197355370.db2.gz HKNJZOGLZASUHI-ZDUSSCGKSA-N 0 1 302.465 2.042 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)c2cc3c(c(Cl)c2)OCO3)n[nH]1 ZINC000161220354 402378560 /nfs/dbraw/zinc/37/85/60/402378560.db2.gz BKNXFZVAWLUKEJ-QMMMGPOBSA-N 0 1 321.764 2.461 20 70 DEIDMN CCC(=O)Nc1cccc(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c1 ZINC000161369600 521223345 /nfs/dbraw/zinc/22/33/45/521223345.db2.gz OLTQAMNIWXSACK-NSHDSACASA-N 0 1 314.389 2.428 20 70 DEIDMN COc1cccc([C@@H](CNC(=O)C2=C(C)OCCC2)N(C)C)c1 ZINC000160371765 524094995 /nfs/dbraw/zinc/09/49/95/524094995.db2.gz RYRWYHDBGXEVGV-QGZVFWFLSA-N 0 1 318.417 2.499 20 70 DEIDMN CN(CC(=O)N1CCCc2ccccc21)C[C@H]1CCC[C@@H]1O ZINC000159569318 186127913 /nfs/dbraw/zinc/12/79/13/186127913.db2.gz BNFZFIAZPLALAA-WBVHZDCISA-N 0 1 302.418 2.059 20 70 DEIDMN Cc1ccc(N2CC[C@@H](N(C)C[C@@H]3CCC[C@@H]3O)C2=O)cc1 ZINC000159588938 186129126 /nfs/dbraw/zinc/12/91/26/186129126.db2.gz CWIJMQSHMAWKOZ-UAGQMJEPSA-N 0 1 302.418 2.193 20 70 DEIDMN CC[C@H](C(=O)Nc1ccc(C(C)(C)C(=O)OC)cc1)N(C)C ZINC000160043436 197382049 /nfs/dbraw/zinc/38/20/49/197382049.db2.gz NXXJEGDIAMGCJZ-CQSZACIVSA-N 0 1 306.406 2.416 20 70 DEIDMN C[C@@H](NCCS(=O)(=O)c1ccc(F)cc1)c1ccncc1 ZINC000160550432 402350870 /nfs/dbraw/zinc/35/08/70/402350870.db2.gz XJZLTWQSVWEXOO-GFCCVEGCSA-N 0 1 308.378 2.345 20 70 DEIDMN CCO[C@@H]1C[C@H](NC(=O)[C@H]2NCCc3ccccc32)C12CCC2 ZINC000160997897 402368884 /nfs/dbraw/zinc/36/88/84/402368884.db2.gz AWAKOQNJVZOJTB-BBWFWOEESA-N 0 1 314.429 2.337 20 70 DEIDMN Cc1[nH]ncc1CCCNC(=O)[C@@H]1COc2ccc(F)cc2C1 ZINC000160186395 402337718 /nfs/dbraw/zinc/33/77/18/402337718.db2.gz ZMGGRXIGMVWJMZ-AWEZNQCLSA-N 0 1 317.364 2.157 20 70 DEIDMN CCc1nc(CN2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)n[nH]1 ZINC000160240933 402338866 /nfs/dbraw/zinc/33/88/66/402338866.db2.gz OORCWEHNBGFCGX-RYUDHWBXSA-N 0 1 323.441 2.197 20 70 DEIDMN COC(=O)CN(CC1CCN(C(=O)C(C)(C)C)CC1)C(C)C ZINC000160371075 523157035 /nfs/dbraw/zinc/15/70/35/523157035.db2.gz CIWVUBRXJAHAQI-UHFFFAOYSA-N 0 1 312.454 2.155 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)Nc2cccc([S@@](C)=O)c2)n[nH]1 ZINC000160227882 524833425 /nfs/dbraw/zinc/83/34/25/524833425.db2.gz KCXUISMYWLAHOX-MGUXCZDKSA-N 0 1 320.418 2.208 20 70 DEIDMN Cc1[nH]ncc1CCCNC(=O)c1ccc(OCC(F)F)nc1 ZINC000160185863 525496026 /nfs/dbraw/zinc/49/60/26/525496026.db2.gz ANISWZXPQSRAPO-UHFFFAOYSA-N 0 1 324.331 2.120 20 70 DEIDMN COc1ccc(OC)c(CNCCNC(=O)OC(C)(C)C)c1 ZINC000218084455 402294200 /nfs/dbraw/zinc/29/42/00/402294200.db2.gz MQSCTKICSSXSNI-UHFFFAOYSA-N 0 1 310.394 2.318 20 70 DEIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3noc4c3CCCC4)n2)o1 ZINC000160336416 402341396 /nfs/dbraw/zinc/34/13/96/402341396.db2.gz SHYLTFFQBPTNAS-UHFFFAOYSA-N 0 1 313.317 2.492 20 70 DEIDMN O=C(c1cc(Br)cs1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160485889 402347437 /nfs/dbraw/zinc/34/74/37/402347437.db2.gz OUVCLARVDSJNGL-AOOOYVTPSA-N 0 1 315.236 2.477 20 70 DEIDMN C[C@@H]1CCC[C@H](C(=O)N2CCC(CN3CCOCC3)CC2)C1 ZINC000160735658 402358973 /nfs/dbraw/zinc/35/89/73/402358973.db2.gz RPNFVJLDNJPEGA-WBVHZDCISA-N 0 1 308.466 2.384 20 70 DEIDMN CCC[C@@H](C(=O)Nc1ccc2c(c1)CCN2C(C)=O)N(C)C ZINC000161269764 402380423 /nfs/dbraw/zinc/38/04/23/402380423.db2.gz WNBWJWIOZQKZGT-INIZCTEOSA-N 0 1 303.406 2.264 20 70 DEIDMN C[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2)C(=O)c1cccc(F)c1 ZINC000160186195 402337460 /nfs/dbraw/zinc/33/74/60/402337460.db2.gz OUQWKFQIOIGHIB-VBNZEHGJSA-N 0 1 318.392 2.388 20 70 DEIDMN CCCO[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000160731223 355966019 /nfs/dbraw/zinc/96/60/19/355966019.db2.gz IXRWHUNSYWORGQ-IRXDYDNUSA-N 0 1 323.481 2.461 20 70 DEIDMN Cc1nc(C)n(C[C@@H]2CCCN(Cc3cnc4ccccn34)C2)n1 ZINC000160084118 197384600 /nfs/dbraw/zinc/38/46/00/197384600.db2.gz YTAMOIRMEMKEEO-MRXNPFEDSA-N 0 1 324.432 2.455 20 70 DEIDMN COc1ccccc1[C@@H](C)N[C@@H](C)C(=O)NCC(F)(F)F ZINC000159839037 197367971 /nfs/dbraw/zinc/36/79/71/197367971.db2.gz DKHJWCOFCNNDRR-ZJUUUORDSA-N 0 1 304.312 2.413 20 70 DEIDMN C[C@H](O)CN(C)[C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000159503747 197358725 /nfs/dbraw/zinc/35/87/25/197358725.db2.gz SOCPQFFLTBOFMD-UWVGGRQHSA-N 0 1 315.211 2.089 20 70 DEIDMN O=C(/C=C/c1cccc(OC2CCCC2)c1)N1CCNCC1 ZINC000159437390 197353010 /nfs/dbraw/zinc/35/30/10/197353010.db2.gz KRJUYBDJIOTJKP-CMDGGOBGSA-N 0 1 300.402 2.453 20 70 DEIDMN Cc1ccc(-c2n[nH]c(NC(=O)Cc3c(C)noc3C)n2)o1 ZINC000160341771 402341691 /nfs/dbraw/zinc/34/16/91/402341691.db2.gz ZVOZQKJIDMLKED-UHFFFAOYSA-N 0 1 301.306 2.159 20 70 DEIDMN Cc1nc2ccccn2c1CN1CCC[C@@H](N2CCCC2=O)C1 ZINC000160348573 402342314 /nfs/dbraw/zinc/34/23/14/402342314.db2.gz XDSAZBDYTKPXSI-OAHLLOKOSA-N 0 1 312.417 2.230 20 70 DEIDMN O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccc(-c2nnc[nH]2)c1 ZINC000160611530 402354030 /nfs/dbraw/zinc/35/40/30/402354030.db2.gz NXWGSWAZCFIIHA-KFWWJZLASA-N 0 1 324.384 2.159 20 70 DEIDMN CN(C)Cc1ccnc(NC(=O)C[C@H]2CSCCS2)c1 ZINC000160875230 402363653 /nfs/dbraw/zinc/36/36/53/402363653.db2.gz MQENFHXUCMOCTQ-LBPRGKRZSA-N 0 1 311.476 2.320 20 70 DEIDMN Cc1cc(C[C@H](C)NC(=O)c2ccc(Cn3cccn3)cc2)n[nH]1 ZINC000161225918 402378215 /nfs/dbraw/zinc/37/82/15/402378215.db2.gz VKVAYLXQWLCOOE-ZDUSSCGKSA-N 0 1 323.400 2.324 20 70 DEIDMN CC(C)[N@@H+]1C[C@H](NC(=O)c2cc(F)cc3nc[nH]c32)[C@@H](C)C1 ZINC000161313354 402382179 /nfs/dbraw/zinc/38/21/79/402382179.db2.gz BLKDINOYJZIKJN-HZMBPMFUSA-N 0 1 304.369 2.161 20 70 DEIDMN CC(=O)N[C@@H](C)C(=O)Nc1nc(-c2cccc3ccccc32)n[nH]1 ZINC000159629143 402327074 /nfs/dbraw/zinc/32/70/74/402327074.db2.gz FAZCVMMLKOLKAW-JTQLQIEISA-N 0 1 323.356 2.088 20 70 DEIDMN CCOC(=O)C[C@@H](C)NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000160101538 402336374 /nfs/dbraw/zinc/33/63/74/402336374.db2.gz QDGXVLNOCSBKOB-ZBFHGGJFSA-N 0 1 318.417 2.109 20 70 DEIDMN CCc1nc(CN[C@H](C)c2ccc(N3CCOC3=O)cc2)n[nH]1 ZINC000160386849 522351126 /nfs/dbraw/zinc/35/11/26/522351126.db2.gz VNFQNKDPFZZPOT-LLVKDONJSA-N 0 1 315.377 2.175 20 70 DEIDMN COc1cccc(CCC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c1 ZINC000161381190 525880861 /nfs/dbraw/zinc/88/08/61/525880861.db2.gz BMQQYFRJUYQYJR-LBPRGKRZSA-N 0 1 301.390 2.407 20 70 DEIDMN [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc(Br)ccc2[O-])C1 ZINC000161197059 539590268 /nfs/dbraw/zinc/59/02/68/539590268.db2.gz IRTXDGWDRVIVPY-VHSXEESVSA-N 0 1 313.195 2.154 20 70 DEIDMN Cc1cc(F)cc(C)c1S(=O)(=O)NC[C@H](C)N(C)C1CC1 ZINC000217894739 539726876 /nfs/dbraw/zinc/72/68/76/539726876.db2.gz NWMWREOSIYVXES-LBPRGKRZSA-N 0 1 314.426 2.204 20 70 DEIDMN CC(C)CCn1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)n1 ZINC000159547942 186126188 /nfs/dbraw/zinc/12/61/88/186126188.db2.gz AATJQYKTYIYUBX-HNNXBMFYSA-N 0 1 317.437 2.407 20 70 DEIDMN COc1cccc([C@H](C)N[C@@H](C)C(=O)NCC(F)(F)F)c1 ZINC000159838420 197367789 /nfs/dbraw/zinc/36/77/89/197367789.db2.gz UKRWFHDKJBAFPM-UWVGGRQHSA-N 0 1 304.312 2.413 20 70 DEIDMN Cc1ccc(N2CC[C@@H](N3CCN(CC4CC4)CC3)C2=O)cc1 ZINC000159406447 197351449 /nfs/dbraw/zinc/35/14/49/197351449.db2.gz RJJQMKSWYCADIY-GOSISDBHSA-N 0 1 313.445 2.128 20 70 DEIDMN CC[C@H](C)c1cc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)on1 ZINC000159426838 402323156 /nfs/dbraw/zinc/32/31/56/402323156.db2.gz UEDRGUWVYSVBPO-BFHYXJOUSA-N 0 1 323.437 2.417 20 70 DEIDMN CC[C@H](C)c1cc(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)on1 ZINC000159426572 402323316 /nfs/dbraw/zinc/32/33/16/402323316.db2.gz UEDRGUWVYSVBPO-MELADBBJSA-N 0 1 323.437 2.417 20 70 DEIDMN Cc1cc(NC(=O)CCN2CCN(c3cccs3)CC2)no1 ZINC000160317954 402340637 /nfs/dbraw/zinc/34/06/37/402340637.db2.gz CNIPVUDGAAINTQ-UHFFFAOYSA-N 0 1 320.418 2.195 20 70 DEIDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3CSCCS3)n2)o1 ZINC000160329887 402340953 /nfs/dbraw/zinc/34/09/53/402340953.db2.gz XWGCQTZOAQLZOQ-SECBINFHSA-N 0 1 310.404 2.160 20 70 DEIDMN Cc1nnc(SCC(=O)N(C)[C@H](C)Cc2ccc(O)cc2)[nH]1 ZINC000160533682 402350085 /nfs/dbraw/zinc/35/00/85/402350085.db2.gz IWTHVTQIKIPMOG-SNVBAGLBSA-N 0 1 320.418 2.000 20 70 DEIDMN Cc1n[nH]c(SCC(=O)N(C)[C@H](C)Cc2ccc(O)cc2)n1 ZINC000160533682 402350087 /nfs/dbraw/zinc/35/00/87/402350087.db2.gz IWTHVTQIKIPMOG-SNVBAGLBSA-N 0 1 320.418 2.000 20 70 DEIDMN COC(=O)c1coc(S(=O)(=O)Nc2c(C)cccc2F)c1 ZINC000160807757 402361371 /nfs/dbraw/zinc/36/13/71/402361371.db2.gz WYVZIJIMXVIMLB-UHFFFAOYSA-N 0 1 313.306 2.315 20 70 DEIDMN CN(C)[C@@H](CNC(=O)c1cccc(F)n1)c1cccc(F)c1 ZINC000161087137 402372153 /nfs/dbraw/zinc/37/21/53/402372153.db2.gz SEXYKEUHLANNSV-AWEZNQCLSA-N 0 1 305.328 2.393 20 70 DEIDMN CC(C)[C@H]1CN(C)CCN1C(=O)N[C@@H](C)c1cccc(O)c1 ZINC000159786761 402330878 /nfs/dbraw/zinc/33/08/78/402330878.db2.gz BEXFAGFSYMOHLP-XJKSGUPXSA-N 0 1 305.422 2.435 20 70 DEIDMN COCc1nc(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)cs1 ZINC000160263187 402339260 /nfs/dbraw/zinc/33/92/60/402339260.db2.gz QMNNXMRSROECEE-UHFFFAOYSA-N 0 1 319.346 2.228 20 70 DEIDMN CC(C)[C@@H](CNC(=O)[C@@H](C)c1cccs1)N1CCN(C)CC1 ZINC000160054455 519794597 /nfs/dbraw/zinc/79/45/97/519794597.db2.gz POSXZRSBNUCNIR-LSDHHAIUSA-N 0 1 323.506 2.240 20 70 DEIDMN