smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ncsc1C(=O)Nc1cnn(CC2CCOCC2)c1 ZINC000218232467 356273412 /nfs/dbraw/zinc/27/34/12/356273412.db2.gz MWFBUQGMHMGKGD-UHFFFAOYSA-N 0 0 306.391 2.327 50 70 DEIARN COc1cn(CC(=O)Nc2cccc3ncccc32)c(C)cc1=O ZINC000218430045 201538999 /nfs/dbraw/zinc/53/89/99/201538999.db2.gz IZOXMGTVIMTIHU-UHFFFAOYSA-N 0 0 323.352 2.352 50 70 DEIARN Cc1n[nH]c(C)c1CCN(C)C(=O)COc1ccc(F)cc1F ZINC000217973655 402294342 /nfs/dbraw/zinc/29/43/42/402294342.db2.gz KFVPMGAROVJEGT-UHFFFAOYSA-N 0 0 323.343 2.385 50 70 DEIARN COC(=O)C[C@H](c1ccc(O)cc1)c1c([O-])cc(C)oc1=O ZINC000218108008 402294850 /nfs/dbraw/zinc/29/48/50/402294850.db2.gz CDYAPEISKFWCSO-GFCCVEGCSA-N 0 0 304.298 2.054 50 70 biogenic DEIARN CC(C)c1nnc(NC(=O)c2cn(C)c(=O)c3ccccc23)[nH]1 ZINC000218295771 402295607 /nfs/dbraw/zinc/29/56/07/402295607.db2.gz MZUOIMCOSPHGQA-UHFFFAOYSA-N 0 0 311.345 2.032 50 70 DEIARN Nc1n[nH]c(C(=O)NCc2nc(C3CCCCC3)no2)c1Cl ZINC000218768825 402296599 /nfs/dbraw/zinc/29/65/99/402296599.db2.gz PXQOHQSYOPYYCL-UHFFFAOYSA-N 0 0 324.772 2.006 50 70 DEIARN C[C@@H]1CN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)C[C@H](C)O1 ZINC000161385430 402385777 /nfs/dbraw/zinc/38/57/77/402385777.db2.gz MOUNWSZLWWROLC-TXEJJXNPSA-N 0 0 315.377 2.123 50 70 DEIARN CCCOc1ccc(C(=O)NC[C@@H]2COCCO2)cc1Cl ZINC000217631284 201520021 /nfs/dbraw/zinc/52/00/21/201520021.db2.gz QJPPNFCSJNVDHO-GFCCVEGCSA-N 0 0 313.781 2.274 50 70 DEIARN O=S(=O)(NCC[C@@H](O)c1ccsc1)c1cccs1 ZINC000217535137 402292959 /nfs/dbraw/zinc/29/29/59/402292959.db2.gz UGMBQJDTYCNCFD-SNVBAGLBSA-N 0 0 303.430 2.212 50 70 DEIARN O=C(c1ccc(Cl)cc1)N1CC[C@@H](N2C(=O)CSC2=O)C1 ZINC000217781555 402293959 /nfs/dbraw/zinc/29/39/59/402293959.db2.gz UFVBFPBUOPWGNB-LLVKDONJSA-N 0 0 324.789 2.250 50 70 DEIARN Fc1cnccc1N[C@@H]1CCOC[C@H]1OCc1cscn1 ZINC000218068397 402294144 /nfs/dbraw/zinc/29/41/44/402294144.db2.gz RZUQCKVYWZQTBJ-ZIAGYGMSSA-N 0 0 309.366 2.463 50 70 DEIARN COc1cn(CC(=O)Nc2ccc3[nH]ccc3c2)c(C)cc1=O ZINC000218364581 402295558 /nfs/dbraw/zinc/29/55/58/402295558.db2.gz KNELDUFXZWMDAG-UHFFFAOYSA-N 0 0 311.341 2.285 50 70 DEIARN O=C(Cc1ccsc1)N[C@@H](Cc1ccncc1)C1CC(O)C1 ZINC000218470653 402296033 /nfs/dbraw/zinc/29/60/33/402296033.db2.gz NDIUABTZOYZTPA-GPANFISMSA-N 0 0 316.426 2.184 50 70 DEIARN C[C@@H]1Cc2cc(C(=O)N3CCC(n4cnnc4)CC3)ccc2O1 ZINC000218755336 402296476 /nfs/dbraw/zinc/29/64/76/402296476.db2.gz PHIVSPIWWWIBSX-GFCCVEGCSA-N 0 0 312.373 2.079 50 70 DEIARN COCc1nc2n(n1)C[C@H](Nc1cccc(F)c1C(C)=O)CC2 ZINC000161376948 402384894 /nfs/dbraw/zinc/38/48/94/402384894.db2.gz PQSLTMCNMYDYIM-LLVKDONJSA-N 0 0 318.352 2.193 50 70 DEIARN CC1(C)OC(=O)C[C@H]1C(=O)NCCn1ccc2ccccc21 ZINC000218561814 333394030 /nfs/dbraw/zinc/39/40/30/333394030.db2.gz KXCOLIBFPIDAHQ-ZDUSSCGKSA-N 0 0 300.358 2.099 50 70 DEIARN NC(=O)C[C@@H]1CCCN(C(=O)Nc2cc(F)c(F)c(F)c2)C1 ZINC000160910356 337383483 /nfs/dbraw/zinc/38/34/83/337383483.db2.gz DMPNIDDYKWEYNP-QMMMGPOBSA-N 0 0 315.295 2.223 50 70 DEIARN Cc1ncn(CC(=O)N[C@@H](c2nccn2C)c2ccccc2)c1C ZINC000218387751 201539650 /nfs/dbraw/zinc/53/96/50/201539650.db2.gz DORFHOSWXQBBCX-QGZVFWFLSA-N 0 0 323.400 2.139 50 70 DEIARN Cc1ccc2[nH]c([C@H]3CCCN(C(=O)Cn4ccnc4)C3)nc2c1 ZINC000159998925 197378818 /nfs/dbraw/zinc/37/88/18/197378818.db2.gz LSPIWVQRXSTMSA-AWEZNQCLSA-N 0 0 323.400 2.474 50 70 DEIARN COC(=O)CS[C@H]1CCN(C(=O)/C=C/c2ccccc2)C1 ZINC000217552722 402293163 /nfs/dbraw/zinc/29/31/63/402293163.db2.gz DYIABBGYYZVXCX-NPQIQWPPSA-N 0 0 305.399 2.207 50 70 DEIARN Cc1ccc(C(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)cc1F ZINC000218071283 402294159 /nfs/dbraw/zinc/29/41/59/402294159.db2.gz IHDBUGJEXJZPTF-PXCJXSSVSA-N 0 0 317.364 2.110 50 70 DEIARN COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1ccco1 ZINC000218004949 402294431 /nfs/dbraw/zinc/29/44/31/402294431.db2.gz XWZMYKWJZCABPO-KRWDZBQOSA-N 0 0 301.342 2.242 50 70 DEIARN CSc1ncc(CNC(=O)CCOc2ccccc2)n1C ZINC000218450482 402296172 /nfs/dbraw/zinc/29/61/72/402296172.db2.gz MQNWUMPYMZVUME-UHFFFAOYSA-N 0 0 305.403 2.227 50 70 DEIARN CCO[C@@H]1COCC[C@H]1NC(=O)c1cc2ccccc2cn1 ZINC000218762578 402296671 /nfs/dbraw/zinc/29/66/71/402296671.db2.gz CXJIZTRMTDOKOP-GDBMZVCRSA-N 0 0 300.358 2.159 50 70 DEIARN CCOc1ccc(NC(=O)NCC[C@H](O)C2CCOCC2)cc1 ZINC000217929433 424885042 /nfs/dbraw/zinc/88/50/42/424885042.db2.gz LYIVQPDSVDFTKJ-INIZCTEOSA-N 0 0 322.405 2.384 50 70 DEIARN Cc1cccc(Cl)c1NC(=O)NC1CCS(=O)(=O)CC1 ZINC000160752356 197436708 /nfs/dbraw/zinc/43/67/08/197436708.db2.gz JMEJHJABLCYEAT-UHFFFAOYSA-N 0 0 316.810 2.347 50 70 DEIARN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)Cn4ccnc4)C3)nc2c1 ZINC000159998790 197378954 /nfs/dbraw/zinc/37/89/54/197378954.db2.gz LSPIWVQRXSTMSA-CQSZACIVSA-N 0 0 323.400 2.474 50 70 DEIARN Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1cccs1 ZINC000159902904 197372106 /nfs/dbraw/zinc/37/21/06/197372106.db2.gz LVUGTBZENLNCCG-QMMMGPOBSA-N 0 0 300.405 2.262 50 70 DEIARN O=C(c1ccnnc1)N1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000217499961 402292372 /nfs/dbraw/zinc/29/23/72/402292372.db2.gz DZRYEBCXMJSTTG-AWEZNQCLSA-N 0 0 311.320 2.469 50 70 DEIARN Cc1cccc2[nH]c(COCC(=O)N(C)Cc3cccnc3)nc21 ZINC000217442706 402292450 /nfs/dbraw/zinc/29/24/50/402292450.db2.gz KVSPFZLHWKZZJJ-UHFFFAOYSA-N 0 0 324.384 2.442 50 70 DEIARN CC[C@H](NC(=O)CCc1cccnc1)c1cn2cccnc2n1 ZINC000217514872 402292462 /nfs/dbraw/zinc/29/24/62/402292462.db2.gz KVCIQZPHNNLZNY-AWEZNQCLSA-N 0 0 309.373 2.324 50 70 DEIARN CCOCCOc1ccccc1C(=O)N[C@@H](C)c1nnc(C)[nH]1 ZINC000217523550 402293155 /nfs/dbraw/zinc/29/31/55/402293155.db2.gz HJPIXOGPDBZXGW-NSHDSACASA-N 0 0 318.377 2.019 50 70 DEIARN CCOc1ccc(S(=O)(=O)N2CCc3oncc3C2)cc1C ZINC000217694875 402293483 /nfs/dbraw/zinc/29/34/83/402293483.db2.gz XHFRSUYZNXPQSV-UHFFFAOYSA-N 0 0 322.386 2.129 50 70 DEIARN CSc1ncccc1C(=O)N(C)[C@H](C)Cc1cnccn1 ZINC000218385387 402295297 /nfs/dbraw/zinc/29/52/97/402295297.db2.gz KURPDEBTZXEALE-LLVKDONJSA-N 0 0 302.403 2.297 50 70 DEIARN Cc1cc(C[C@H](C)NC(=O)Nc2ccc([S@](C)=O)cc2)[nH]n1 ZINC000161127017 402373980 /nfs/dbraw/zinc/37/39/80/402373980.db2.gz UUJRIHOCDCRHGX-MLMJSJRWSA-N 0 0 320.418 2.208 50 70 DEIARN Cn1cccc1[C@H](O)CCNC(=O)c1cc(-c2ccco2)on1 ZINC000217934487 424885006 /nfs/dbraw/zinc/88/50/06/424885006.db2.gz UAGSIQIWYSKPQF-CYBMUJFWSA-N 0 0 315.329 2.127 50 70 DEIARN COc1ccccc1N1CC[C@@H](NC(=O)CC[C@@H]2CCCO2)C1 ZINC000161066159 524568717 /nfs/dbraw/zinc/56/87/17/524568717.db2.gz RPFBLUJABMMIGW-CABCVRRESA-N 0 0 318.417 2.349 50 70 DEIARN CN1C[C@]2(CCCN(C(=O)c3ccc(Cl)s3)C2)OC1=O ZINC000217534752 201518563 /nfs/dbraw/zinc/51/85/63/201518563.db2.gz LPMGWVXSCRVWIG-ZDUSSCGKSA-N 0 0 314.794 2.458 50 70 DEIARN CN(CC1(CO)CCOCC1)C(=O)c1scc2c1CCCC2 ZINC000218051365 201529336 /nfs/dbraw/zinc/52/93/36/201529336.db2.gz YZRGNWMJJBEKHK-UHFFFAOYSA-N 0 0 323.458 2.488 50 70 DEIARN CN(Cc1cnccn1)C(=O)[C@@H]1Cc2cc(Cl)ccc2N1 ZINC000216921121 402290100 /nfs/dbraw/zinc/29/01/00/402290100.db2.gz IPJQLDMZYXJKGQ-AWEZNQCLSA-N 0 0 302.765 2.125 50 70 DEIARN CN1C[C@@]2(CCCN(C(=O)c3ccc(Cl)s3)C2)OC1=O ZINC000217534663 402293086 /nfs/dbraw/zinc/29/30/86/402293086.db2.gz LPMGWVXSCRVWIG-CYBMUJFWSA-N 0 0 314.794 2.458 50 70 DEIARN O=S(=O)(NCc1ccc([C@H](O)c2ccccc2)s1)C1CC1 ZINC000217548256 402293147 /nfs/dbraw/zinc/29/31/47/402293147.db2.gz JEQDBLKOWBEUQA-OAHLLOKOSA-N 0 0 323.439 2.412 50 70 DEIARN Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2ccc3ncccc3c2)o1 ZINC000217656940 402293290 /nfs/dbraw/zinc/29/32/90/402293290.db2.gz UDAADNWARLZOAB-ZDUSSCGKSA-N 0 0 324.336 2.209 50 70 biogenic DEIARN Cc1cc(N)n(CC(=O)N2CC[C@H](c3ccccc3Cl)C2)n1 ZINC000217700141 402293517 /nfs/dbraw/zinc/29/35/17/402293517.db2.gz MGYVHGLBEBLZBD-LBPRGKRZSA-N 0 0 318.808 2.443 50 70 DEIARN CN(C)c1cccc(C(=O)NCCSC2CCOCC2)c1 ZINC000217700443 402293526 /nfs/dbraw/zinc/29/35/26/402293526.db2.gz LDKUGKDMFHRYPI-UHFFFAOYSA-N 0 0 308.447 2.395 50 70 DEIARN CCNc1nc(C)c(C(=O)N[C@H](CC)Cn2ccnc2)s1 ZINC000217731232 402293554 /nfs/dbraw/zinc/29/35/54/402293554.db2.gz PUWWOWLWKVXBCJ-LLVKDONJSA-N 0 0 307.423 2.288 50 70 DEIARN COCC[C@H]1CCCCN1C(=O)c1ccc(OC)nc1OC ZINC000218669467 402296142 /nfs/dbraw/zinc/29/61/42/402296142.db2.gz LWHKLPWEZOVQSX-GFCCVEGCSA-N 0 0 308.378 2.130 50 70 DEIARN Cc1ccccc1C(=O)NC1CCN(Cc2nccn2C)CC1 ZINC000160787981 402361018 /nfs/dbraw/zinc/36/10/18/402361018.db2.gz UFLYBFJMHWDSTG-UHFFFAOYSA-N 0 0 312.417 2.123 50 70 DEIARN O=C(NCc1cccc(C(F)(F)F)c1)N1CC[C@H](CO)C1 ZINC000160887426 402364171 /nfs/dbraw/zinc/36/41/71/402364171.db2.gz SDEKFKSAKCETJY-NSHDSACASA-N 0 0 302.296 2.229 50 70 DEIARN C[C@@H](C(=O)N(C)C1CCCCC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000161148555 402375560 /nfs/dbraw/zinc/37/55/60/402375560.db2.gz LQJOPMURLFYGQT-QEJZJMRPSA-N 0 0 320.433 2.341 50 70 DEIARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)Sc2ccncc2)C1 ZINC000159944132 521108014 /nfs/dbraw/zinc/10/80/14/521108014.db2.gz XBOLZPQZKDJTII-QWHCGFSZSA-N 0 0 322.430 2.364 50 70 DEIARN Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000159902775 197371885 /nfs/dbraw/zinc/37/18/85/197371885.db2.gz LVUGTBZENLNCCG-MRVPVSSYSA-N 0 0 300.405 2.262 50 70 DEIARN O=C(c1ccnnc1)N1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000217499886 402292430 /nfs/dbraw/zinc/29/24/30/402292430.db2.gz DZRYEBCXMJSTTG-CQSZACIVSA-N 0 0 311.320 2.469 50 70 DEIARN Cc1[nH]c2c(cccc2C(=O)N2CCn3nc(CO)cc3C2)c1C ZINC000217644625 402293172 /nfs/dbraw/zinc/29/31/72/402293172.db2.gz IZHOTZMUEHXLNF-UHFFFAOYSA-N 0 0 324.384 2.130 50 70 DEIARN CCCO[C@@H]1CCCN(C(=O)c2nnc3n2CCCCC3)C1 ZINC000217742295 402293356 /nfs/dbraw/zinc/29/33/56/402293356.db2.gz WSJQJFZSRKISBW-CYBMUJFWSA-N 0 0 306.410 2.036 50 70 DEIARN Cn1cccc1[C@@H](O)CCNS(=O)(=O)/C=C/c1ccccc1 ZINC000217941194 402294164 /nfs/dbraw/zinc/29/41/64/402294164.db2.gz DTMOKLRYXAZGAJ-ISBHARSQSA-N 0 0 320.414 2.039 50 70 DEIARN O=C(Cc1c(F)ccc(Cl)c1F)N1CCc2n[nH]cc2C1 ZINC000218048741 402294376 /nfs/dbraw/zinc/29/43/76/402294376.db2.gz XFTAFMZIAIMVSF-UHFFFAOYSA-N 0 0 311.719 2.469 50 70 DEIARN CCOCCOc1cccc(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)c1 ZINC000218432372 402295879 /nfs/dbraw/zinc/29/58/79/402295879.db2.gz HRASGZOHOWNVOP-PMPSAXMXSA-N 0 0 305.374 2.009 50 70 DEIARN CSc1nc(C(=O)N(C)[C@@H](C)Cc2cnccn2)cs1 ZINC000218508908 402296000 /nfs/dbraw/zinc/29/60/00/402296000.db2.gz WHTHXZSYFKFAOJ-VIFPVBQESA-N 0 0 308.432 2.358 50 70 DEIARN CCCn1c(C)nnc1CN1CCN(c2cc(C)ccn2)CC1 ZINC000161411826 402386496 /nfs/dbraw/zinc/38/64/96/402386496.db2.gz VWNSMOKRPGEMAC-UHFFFAOYSA-N 0 0 314.437 2.022 50 70 DEIARN CC(=O)N1CC(Nc2ccc(Cc3ccncc3)cc2)=CC1=O ZINC000218561061 333394018 /nfs/dbraw/zinc/39/40/18/333394018.db2.gz WLGUISZCZBTMLH-UHFFFAOYSA-N 0 0 307.353 2.357 50 70 DEIARN O=C(N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1)c1ccon1 ZINC000218501154 201540546 /nfs/dbraw/zinc/54/05/46/201540546.db2.gz TTYOHCRTKJKDHX-MKTAYPAQSA-N 0 0 323.352 2.465 50 70 DEIARN CSCc1ccc(C(=O)NCCSc2nccn2C)o1 ZINC000217203763 402291371 /nfs/dbraw/zinc/29/13/71/402291371.db2.gz WVVATVLAHLMZIV-UHFFFAOYSA-N 0 0 311.432 2.398 50 70 DEIARN O=C(Cc1ccsc1)NC[C@H](O)c1ccc2c(c1)CCO2 ZINC000217584413 402293080 /nfs/dbraw/zinc/29/30/80/402293080.db2.gz RGPALZMGLVTLDM-AWEZNQCLSA-N 0 0 303.383 2.075 50 70 DEIARN COc1ccc(Cn2ncnc2CCn2c(C)cccc2=O)cc1 ZINC000217679025 402293395 /nfs/dbraw/zinc/29/33/95/402293395.db2.gz TXVMLWOAFAUTQS-UHFFFAOYSA-N 0 0 324.384 2.048 50 70 DEIARN O=C(NCCSC1CCOCC1)c1ccc2nsnc2c1 ZINC000217701159 402293661 /nfs/dbraw/zinc/29/36/61/402293661.db2.gz JQZFYXILLHRZKF-UHFFFAOYSA-N 0 0 323.443 2.333 50 70 DEIARN CCCCN1CCN(C(=O)Cc2cc(F)ccc2C)CC1=O ZINC000218073771 402294152 /nfs/dbraw/zinc/29/41/52/402294152.db2.gz KAZUKSPNWVQXEH-UHFFFAOYSA-N 0 0 306.381 2.148 50 70 DEIARN CC(=O)c1[nH]c(C)c(C(=O)N(C)Cc2[nH]nc3c2CCC3)c1C ZINC000218085127 402294389 /nfs/dbraw/zinc/29/43/89/402294389.db2.gz JTMRONUQIIWIPX-UHFFFAOYSA-N 0 0 314.389 2.318 50 70 DEIARN Cc1cc(N2CCC[C@@H]2CN2CCOCC2)nc(C(C)C)n1 ZINC000160421017 402344856 /nfs/dbraw/zinc/34/48/56/402344856.db2.gz QQJLNCVDKQQZQW-OAHLLOKOSA-N 0 0 304.438 2.209 50 70 DEIARN Cc1cn2nc(C(=O)N[C@H]3CCCc4ccccc43)cc2c(=O)[nH]1 ZINC000217474106 279005995 /nfs/dbraw/zinc/00/59/95/279005995.db2.gz ZVEUIEZUZSEDIE-AWEZNQCLSA-N 0 0 322.368 2.138 50 70 DEIARN Cc1cc(C)c(Br)c(C(=O)NC(C)(C)C(N)=O)c1 ZINC000160013677 337383397 /nfs/dbraw/zinc/38/33/97/337383397.db2.gz FSCOUKIFFQOUJK-UHFFFAOYSA-N 0 0 313.195 2.060 50 70 DEIARN C[C@H](O)c1cc2n(n1)CCCN(c1ncnc3ccsc31)C2 ZINC000217453831 518183768 /nfs/dbraw/zinc/18/37/68/518183768.db2.gz UALAXBQZZXPLCB-JTQLQIEISA-N 0 0 315.402 2.351 50 70 DEIARN Cc1nccn1-c1ccc(CNC(=O)c2cc(=O)cc(C)o2)cc1 ZINC000218109085 201531124 /nfs/dbraw/zinc/53/11/24/201531124.db2.gz BIAREADYHQGNOX-UHFFFAOYSA-N 0 0 323.352 2.372 50 70 DEIARN C[C@@H](C(=O)NCc1cc(C(C)(C)C)n[nH]1)n1cc(Cl)cn1 ZINC000218391457 402295925 /nfs/dbraw/zinc/29/59/25/402295925.db2.gz LDIVVFRKRQEBBY-VIFPVBQESA-N 0 0 309.801 2.435 50 70 DEIARN Cc1nc(CNC(=O)[C@H]2Cc3ccccc3O2)nc2c1CCCC2 ZINC000218510168 402296154 /nfs/dbraw/zinc/29/61/54/402296154.db2.gz MKMYOBXPOHNNQG-QGZVFWFLSA-N 0 0 323.396 2.284 50 70 DEIARN FC(F)(F)c1csc(N2CCC[C@H]2CN2CCOCC2)n1 ZINC000160415447 402344836 /nfs/dbraw/zinc/34/48/36/402344836.db2.gz XOEUVBYIKIIECD-JTQLQIEISA-N 0 0 321.368 2.463 50 70 DEIARN COCCN1C[C@@H](Cc2cc(C(F)(F)F)ccn2)CC1=O ZINC000218471767 201539811 /nfs/dbraw/zinc/53/98/11/201539811.db2.gz NNIVILBPQRZMHG-JTQLQIEISA-N 0 0 302.296 2.138 50 70 DEIARN CCOC(=O)CN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161008749 197456430 /nfs/dbraw/zinc/45/64/30/197456430.db2.gz HCOFHNUNGRRELS-QWHCGFSZSA-N 0 0 317.307 2.376 50 70 DEIARN CCc1ncnc(N2CCC(Nc3cccnn3)CC2)c1F ZINC000159383761 197349558 /nfs/dbraw/zinc/34/95/58/197349558.db2.gz UFSOXPKXWREAII-UHFFFAOYSA-N 0 0 302.357 2.049 50 70 DEIARN CCOc1ccc(CCCC(=O)NC[C@@H]2COCCO2)cc1C ZINC000217978622 402294331 /nfs/dbraw/zinc/29/43/31/402294331.db2.gz BAYRDCYYXGGZAZ-MRXNPFEDSA-N 0 0 321.417 2.248 50 70 DEIARN O=C(Cc1cccnc1)N[C@@H]1[C@@H](Cc2ccccc2)[C@H]2OCC[C@@H]12 ZINC000218163950 402294957 /nfs/dbraw/zinc/29/49/57/402294957.db2.gz KDJVMIIVKUZEGO-HNJRGHQBSA-N 0 0 322.408 2.387 50 70 DEIARN CC[C@@H](NC(=O)CSc1ccccn1)c1ncnn1CC ZINC000218165294 402295060 /nfs/dbraw/zinc/29/50/60/402295060.db2.gz HPNVAJVBLKMFSC-LLVKDONJSA-N 0 0 305.407 2.053 50 70 DEIARN CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(-n2cnnc2)ccc1Cl ZINC000218257848 402295319 /nfs/dbraw/zinc/29/53/19/402295319.db2.gz LNJIGYJKBSVDND-QMTHXVAHSA-N 0 0 322.796 2.058 50 70 DEIARN Cc1nn(CCC(=O)NCCCc2ccccn2)c(C)c1C ZINC000218441229 402296217 /nfs/dbraw/zinc/29/62/17/402296217.db2.gz WVMNRRJARNUGIX-UHFFFAOYSA-N 0 0 300.406 2.342 50 70 DEIARN CCOc1ncccc1C(=O)NCc1sc(COC)nc1C ZINC000218705928 402296341 /nfs/dbraw/zinc/29/63/41/402296341.db2.gz FOAXQYBJFJRLCI-UHFFFAOYSA-N 0 0 321.402 2.322 50 70 DEIARN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@H]1CSCN1 ZINC000161057242 402371021 /nfs/dbraw/zinc/37/10/21/402371021.db2.gz DEBNNHRYGNWJAZ-BIMULSAOSA-N 0 0 314.838 2.195 50 70 DEIARN CN1CCN(Cc2nc(-c3c(F)cccc3F)cs2)CC1=O ZINC000159793927 402331015 /nfs/dbraw/zinc/33/10/15/402331015.db2.gz NGIXNJNBBISLDL-UHFFFAOYSA-N 0 0 323.368 2.362 50 70 DEIARN CCO[C@H]1CN(C(=O)C2(c3ccccc3)CCCCC2)C[C@@H]1O ZINC000218761917 286451267 /nfs/dbraw/zinc/45/12/67/286451267.db2.gz GDRGUOLTSPNAQL-IRXDYDNUSA-N 0 0 317.429 2.497 50 70 DEIARN O=C(NCC[C@H](O)C1CCOCC1)c1ccc(F)cc1Cl ZINC000217917350 201527735 /nfs/dbraw/zinc/52/77/35/201527735.db2.gz ZUASHCTYROASLI-AWEZNQCLSA-N 0 0 315.772 2.387 50 70 DEIARN COC[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccnn1C ZINC000218725325 201541404 /nfs/dbraw/zinc/54/14/04/201541404.db2.gz ATQJRJYEHJXZRJ-MRXNPFEDSA-N 0 0 313.401 2.416 50 70 DEIARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Sc2ccncc2)C1 ZINC000159943876 197376017 /nfs/dbraw/zinc/37/60/17/197376017.db2.gz XBOLZPQZKDJTII-CHWSQXEVSA-N 0 0 322.430 2.364 50 70 DEIARN COc1ccccc1CCNC(=O)c1cccc(-n2ccnn2)c1 ZINC000159447280 402324001 /nfs/dbraw/zinc/32/40/01/402324001.db2.gz LGBBCNQIIGLLQX-UHFFFAOYSA-N 0 0 322.368 2.248 50 70 DEIARN CSCc1ccc(C(=O)NCCc2nc(C3CC3)no2)o1 ZINC000217188006 402291440 /nfs/dbraw/zinc/29/14/40/402291440.db2.gz PHNSFYOTTFPEFO-UHFFFAOYSA-N 0 0 307.375 2.376 50 70 DEIARN Cn1cc(C(=O)NCc2cnc3cnccn23)c2ccccc21 ZINC000217180479 402291546 /nfs/dbraw/zinc/29/15/46/402291546.db2.gz AAHMOQCUFBTBKE-UHFFFAOYSA-N 0 0 305.341 2.151 50 70 DEIARN Cc1ccc2[nH]c(CCC(=O)NCC3(C)COC3)nc2c1C ZINC000217615682 402293049 /nfs/dbraw/zinc/29/30/49/402293049.db2.gz YTKMIWLMJRNYMA-UHFFFAOYSA-N 0 0 301.390 2.265 50 70 DEIARN CSc1ncccc1C(=O)N1CCC[C@H]1c1nnc(C)[nH]1 ZINC000217715229 402293500 /nfs/dbraw/zinc/29/35/00/402293500.db2.gz ABVRDPLQPXOKKI-NSHDSACASA-N 0 0 303.391 2.207 50 70 DEIARN CN(C)c1ccc(CC(=O)N2CC[C@](O)(c3ccccc3)C2)cc1 ZINC000218089562 402294899 /nfs/dbraw/zinc/29/48/99/402294899.db2.gz QQRDFSSSOWSJMI-HXUWFJFHSA-N 0 0 324.424 2.415 50 70 DEIARN Cc1cc(C)n(CCCNc2cc(C3CC(O)C3)ncn2)n1 ZINC000218477091 402296224 /nfs/dbraw/zinc/29/62/24/402296224.db2.gz ALOMSEHUDJVMKP-UHFFFAOYSA-N 0 0 301.394 2.030 50 70 DEIARN O=C(CCc1ccccn1)N[C@@H]1CCOC[C@H]1OCC1CCC1 ZINC000218763836 402296527 /nfs/dbraw/zinc/29/65/27/402296527.db2.gz UQJAUUBBZLUARO-IAGOWNOFSA-N 0 0 318.417 2.105 50 70 DEIARN CCc1nccn1CCNC(=O)c1ccccc1OC(F)F ZINC000218535350 333393644 /nfs/dbraw/zinc/39/36/44/333393644.db2.gz BDRIERLZMRUVNT-UHFFFAOYSA-N 0 0 309.316 2.477 50 70 DEIARN Cc1cc2c(c(=O)o1)[C@@H](c1cc3ccccc3[nH]c1=O)CC(=O)O2 ZINC000218043259 292000945 /nfs/dbraw/zinc/00/09/45/292000945.db2.gz PNAWDWDRVROPTK-LLVKDONJSA-N 0 0 323.304 2.231 50 70 biogenic DEIARN Cc1nnc([C@H]2CCCN(C(=O)c3ccccc3N(C)C)C2)[nH]1 ZINC000216961169 402290721 /nfs/dbraw/zinc/29/07/21/402290721.db2.gz UVYUSJCWBZBLFA-ZDUSSCGKSA-N 0 0 313.405 2.199 50 70 DEIARN Cc1ccc2c(cc(CN3CCn4nc(CO)cc4C3)n2C)c1 ZINC000217016410 402290862 /nfs/dbraw/zinc/29/08/62/402290862.db2.gz OGZTYDOQYLLIKA-UHFFFAOYSA-N 0 0 310.401 2.191 50 70 DEIARN CC[C@@H](O)c1cc2n(n1)CCN(CCOc1ccc(F)cc1)C2 ZINC000217189564 402291101 /nfs/dbraw/zinc/29/11/01/402291101.db2.gz QOSBECLDLWNMFG-QGZVFWFLSA-N 0 0 319.380 2.360 50 70 DEIARN O=C(N1CCc2oncc2C1)C1(c2ccccc2)CCOCC1 ZINC000217692515 402293383 /nfs/dbraw/zinc/29/33/83/402293383.db2.gz KBEGJUBICJVRFW-UHFFFAOYSA-N 0 0 312.369 2.308 50 70 DEIARN O=C(c1cccnc1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217653540 402293597 /nfs/dbraw/zinc/29/35/97/402293597.db2.gz YQXPIUQGJJVHEO-INIZCTEOSA-N 0 0 319.368 2.427 50 70 DEIARN CO[C@H](CNC(=O)c1cccn(C)c1=O)c1ccccc1Cl ZINC000218312750 402295356 /nfs/dbraw/zinc/29/53/56/402295356.db2.gz IJZLKLWXNYXZTL-CQSZACIVSA-N 0 0 320.776 2.156 50 70 DEIARN COCCC(=O)N[C@H](c1ccncc1)c1ccc(OC)cc1 ZINC000218328434 402295368 /nfs/dbraw/zinc/29/53/68/402295368.db2.gz DDECAONKTUIFQQ-KRWDZBQOSA-N 0 0 300.358 2.332 50 70 DEIARN CC(C)(O)[C@H]1CCN(C(=O)COc2ccc(F)c(Cl)c2)C1 ZINC000218284301 402295434 /nfs/dbraw/zinc/29/54/34/402295434.db2.gz FTVWLSNCAIKXMT-JTQLQIEISA-N 0 0 315.772 2.477 50 70 DEIARN Cc1oncc1NC(=O)c1cc(N2CCNC2=O)c(F)cc1F ZINC000160928252 355967725 /nfs/dbraw/zinc/96/77/25/355967725.db2.gz RHZBVLRBRIGZLR-UHFFFAOYSA-N 0 0 322.271 2.043 50 70 DEIARN O=C(/C=C/c1ccco1)NCCn1ccnc1-c1ccccn1 ZINC000217857164 201526733 /nfs/dbraw/zinc/52/67/33/201526733.db2.gz DDBKXWCIGKRECD-VOTSOKGWSA-N 0 0 308.341 2.368 50 70 DEIARN Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NC2CC2)n1 ZINC000218248037 201535355 /nfs/dbraw/zinc/53/53/55/201535355.db2.gz SGPKWGIFLRFAQS-MRXNPFEDSA-N 0 0 310.401 2.395 50 70 DEIARN Cc1cc2c(c(=O)o1)[C@@H](c1coc3ccccc3c1=O)CC(=O)O2 ZINC000218076373 292000928 /nfs/dbraw/zinc/00/09/28/292000928.db2.gz YFYBBTOMGQIKAE-LLVKDONJSA-N 0 0 324.288 2.496 50 70 biogenic DEIARN Cn1cc([C@@H](NC(=O)c2ccc3[nH]ccc3c2)[C@H]2C[C@@H](O)C2)cn1 ZINC000218176699 402294754 /nfs/dbraw/zinc/29/47/54/402294754.db2.gz HYDTYBDVYOZIQI-QRTARXTBSA-N 0 0 324.384 2.143 50 70 DEIARN CN(Cc1[nH]nc2c1CCC2)C(=O)[C@H](O)c1ccccc1Cl ZINC000218160846 402295036 /nfs/dbraw/zinc/29/50/36/402295036.db2.gz LYHMKMHYGSMGRT-OAHLLOKOSA-N 0 0 319.792 2.244 50 70 DEIARN Cn1ccnc1[C@H](O)C1CCN(C(=O)CCC(F)(F)F)CC1 ZINC000218382312 402295289 /nfs/dbraw/zinc/29/52/89/402295289.db2.gz PMOMXYBWDUJRAM-GFCCVEGCSA-N 0 0 319.327 2.035 50 70 DEIARN COCc1csc(NC(=O)N[C@@H](C)Cc2cc(C)n[nH]2)n1 ZINC000161363465 337383409 /nfs/dbraw/zinc/38/34/09/337383409.db2.gz DGJOHKUXPFLCTN-QMMMGPOBSA-N 0 0 309.395 2.074 50 70 DEIARN C[C@H](NC(=O)Nc1ccnn1C[C@@H]1CCOC1)c1cccnc1 ZINC000159725859 186137726 /nfs/dbraw/zinc/13/77/26/186137726.db2.gz QMXDKKGLWRQLRL-STQMWFEESA-N 0 0 315.377 2.197 50 70 DEIARN COC(=O)[C@@H](C)Nc1ccc(N2CCOC(C)(C)C2)cc1OC ZINC000160278300 197397891 /nfs/dbraw/zinc/39/78/91/197397891.db2.gz GITYMMFBYANCBS-GFCCVEGCSA-N 0 0 322.405 2.284 50 70 DEIARN Cc1cc(=O)cc(C(=O)NCc2cc3cc(F)ccc3[nH]2)o1 ZINC000217011814 402290712 /nfs/dbraw/zinc/29/07/12/402290712.db2.gz RYCGEBQPKDMUKU-UHFFFAOYSA-N 0 0 300.289 2.499 50 70 DEIARN O=C(c1cccnc1)N1CCC2(CC1)OC(=O)c1ccccc12 ZINC000217510046 402292352 /nfs/dbraw/zinc/29/23/52/402292352.db2.gz AZGCGKUWYJPLGQ-UHFFFAOYSA-N 0 0 308.337 2.384 50 70 DEIARN C[C@@](O)(CNS(=O)(=O)C1CC1)c1cc2ccccc2s1 ZINC000217510696 402292367 /nfs/dbraw/zinc/29/23/67/402292367.db2.gz QFKHRQIGGWJKQR-CQSZACIVSA-N 0 0 311.428 2.191 50 70 DEIARN Cc1cc2c(ncnc2N2CCCn3nc(CO)cc3C2)s1 ZINC000217616236 402292987 /nfs/dbraw/zinc/29/29/87/402292987.db2.gz PACBFCJHMYUFTQ-UHFFFAOYSA-N 0 0 315.402 2.099 50 70 DEIARN O=C(c1ccccn1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217653755 402293404 /nfs/dbraw/zinc/29/34/04/402293404.db2.gz CATQHMHOCPRFLO-HNNXBMFYSA-N 0 0 319.368 2.427 50 70 DEIARN CCCCn1c(CN2C[C@H](O)[C@@H](OCC)C2)nc2ccccc21 ZINC000218101193 402294639 /nfs/dbraw/zinc/29/46/39/402294639.db2.gz YESZEUMWESLNMW-IRXDYDNUSA-N 0 0 317.433 2.418 50 70 DEIARN Cc1cc(CC(=O)N[C@H](c2nccn2C)c2ccccc2)on1 ZINC000218237491 402295703 /nfs/dbraw/zinc/29/57/03/402295703.db2.gz GECOOEUFGHTAFE-INIZCTEOSA-N 0 0 310.357 2.165 50 70 DEIARN Cc1cc(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)[nH]n1 ZINC000161147210 402375205 /nfs/dbraw/zinc/37/52/05/402375205.db2.gz CHJKCGOKUUNHSE-UHFFFAOYSA-N 0 0 321.327 2.432 50 70 DEIARN Cc1cccc(NCCNC(=O)[C@H]2OCCc3ccccc32)n1 ZINC000161121569 337383438 /nfs/dbraw/zinc/38/34/38/337383438.db2.gz ZXJJXOCMZQSNIU-KRWDZBQOSA-N 0 0 311.385 2.232 50 70 DEIARN CSc1ccccc1C(=O)NCC[C@H](O)C1CCOCC1 ZINC000217916859 539726582 /nfs/dbraw/zinc/72/65/82/539726582.db2.gz DIQAZQRSZVDYGQ-AWEZNQCLSA-N 0 0 309.431 2.316 50 70 DEIARN Cc1cc2c(c(=O)o1)[C@H](c1coc3ccccc3c1=O)CC(=O)O2 ZINC000218076284 292000842 /nfs/dbraw/zinc/00/08/42/292000842.db2.gz YFYBBTOMGQIKAE-NSHDSACASA-N 0 0 324.288 2.496 50 70 biogenic DEIARN Cn1cccc1[C@@H](O)CCNC(=O)CCc1ccccc1F ZINC000217939680 402294303 /nfs/dbraw/zinc/29/43/03/402294303.db2.gz CUXZTZCRDLVJCE-INIZCTEOSA-N 0 0 304.365 2.337 50 70 DEIARN Cc1nnc(CNC(=O)c2cnc3cc(Cl)ccc3c2O)o1 ZINC000217942318 402294395 /nfs/dbraw/zinc/29/43/95/402294395.db2.gz QCXNKGGDMWFHFT-UHFFFAOYSA-N 0 0 318.720 2.215 50 70 DEIARN CC[C@@H](C)[C@@H](CO)NC(=O)c1ccc(OC)c(-n2cccn2)c1 ZINC000218234828 402295321 /nfs/dbraw/zinc/29/53/21/402295321.db2.gz MJUXLBXSUJPYCQ-TZMCWYRMSA-N 0 0 317.389 2.018 50 70 DEIARN COc1nn(C)cc1C(=O)NC[C@@H](OC)c1ccccc1Cl ZINC000218312913 402295679 /nfs/dbraw/zinc/29/56/79/402295679.db2.gz LVIPOXWYGZQBBR-CYBMUJFWSA-N 0 0 323.780 2.200 50 70 DEIARN O=C(CCCNc1ncccn1)NCCn1ccc2ccccc21 ZINC000218420613 402296266 /nfs/dbraw/zinc/29/62/66/402296266.db2.gz NMDSGCMVWYBKQV-UHFFFAOYSA-N 0 0 323.400 2.440 50 70 DEIARN COc1cccc(SCC(=O)NCCc2c(C)n[nH]c2C)c1 ZINC000218685473 402296280 /nfs/dbraw/zinc/29/62/80/402296280.db2.gz SFZDVIZVUMGDPU-UHFFFAOYSA-N 0 0 319.430 2.486 50 70 DEIARN COc1ccc(F)cc1C(=O)NCCCc1csc(N)n1 ZINC000218708454 402296385 /nfs/dbraw/zinc/29/63/85/402296385.db2.gz HIMPPQCPTJSOCP-UHFFFAOYSA-N 0 0 309.366 2.236 50 70 DEIARN CCCn1cnnc1[C@@H](C)NC(=O)Cc1ccc(O)c(Cl)c1 ZINC000218537504 333393659 /nfs/dbraw/zinc/39/36/59/333393659.db2.gz DQKMOAPCZPCWLA-SNVBAGLBSA-N 0 0 322.796 2.467 50 70 DEIARN COC(=O)CNC(=O)c1sc(Cl)nc1-c1ccccc1 ZINC000218552330 333393814 /nfs/dbraw/zinc/39/38/14/333393814.db2.gz RQJGGVLYIBYTTI-UHFFFAOYSA-N 0 0 310.762 2.366 50 70 DEIARN CC[C@H](C(=O)NCC(=O)Nc1cccnc1)c1ccc(F)cc1 ZINC000159627655 337383411 /nfs/dbraw/zinc/38/34/11/337383411.db2.gz NXASLZZARVWJFS-HNNXBMFYSA-N 0 0 315.348 2.469 50 70 DEIARN Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2ccnc3ccccc32)o1 ZINC000217872914 539726880 /nfs/dbraw/zinc/72/68/80/539726880.db2.gz GEFHRCGXCVVYQP-ZDUSSCGKSA-N 0 0 324.336 2.209 50 70 biogenic DEIARN CC[C@H](C(=O)NCC[C@@H](O)C1CCOCC1)c1ccccc1 ZINC000217916156 539727068 /nfs/dbraw/zinc/72/70/68/539727068.db2.gz NTSDBTFPDBJIEE-DLBZAZTESA-N 0 0 305.418 2.474 50 70 DEIARN Cc1cc2c(c(=O)o1)[C@H](c1ccc3c(c1)OCCO3)CC(=O)O2 ZINC000218125572 292000864 /nfs/dbraw/zinc/00/08/64/292000864.db2.gz LHDRVEYMTQTSRP-NSHDSACASA-N 0 0 314.293 2.160 50 70 biogenic DEIARN Cc1cc2c(c(=O)o1)[C@H](c1ccc3c(c1)OCO3)CC(=O)O2 ZINC000218127021 292001009 /nfs/dbraw/zinc/00/10/09/292001009.db2.gz YQEQLRNLWUTTRS-JTQLQIEISA-N 0 0 300.266 2.118 50 70 biogenic DEIARN O=C(c1cccnc1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217653459 402293416 /nfs/dbraw/zinc/29/34/16/402293416.db2.gz YQXPIUQGJJVHEO-MRXNPFEDSA-N 0 0 319.368 2.427 50 70 DEIARN Cc1nc([C@@H](C)NC(=O)c2cc(C(C)C)nc(N)n2)cs1 ZINC000217802133 402293950 /nfs/dbraw/zinc/29/39/50/402293950.db2.gz JCQUMKPKNFTOFB-MRVPVSSYSA-N 0 0 305.407 2.438 50 70 DEIARN Cn1cccc1[C@H](O)CCNC(=O)CCc1ccccc1F ZINC000217939603 402294321 /nfs/dbraw/zinc/29/43/21/402294321.db2.gz CUXZTZCRDLVJCE-MRXNPFEDSA-N 0 0 304.365 2.337 50 70 DEIARN CC[C@@H](C)[C@@H](CO)NC(=O)Cn1cnc(-c2ccccc2)c1 ZINC000218280345 402295551 /nfs/dbraw/zinc/29/55/51/402295551.db2.gz JGJQWVCFWFMZNM-CZUORRHYSA-N 0 0 301.390 2.073 50 70 DEIARN O=C(NCc1cccc(C(F)(F)F)c1)N1CC[C@@H](CO)C1 ZINC000160887541 402364141 /nfs/dbraw/zinc/36/41/41/402364141.db2.gz SDEKFKSAKCETJY-LLVKDONJSA-N 0 0 302.296 2.229 50 70 DEIARN C[C@](O)(CNc1cn[nH]c(=O)c1Cl)c1ccccc1Cl ZINC000160199202 402338130 /nfs/dbraw/zinc/33/81/30/402338130.db2.gz JZAYWOXSAFMRSG-ZDUSSCGKSA-N 0 0 314.172 2.396 50 70 DEIARN C[C@@](O)(CNc1cn[nH]c(=O)c1Cl)c1ccccc1Cl ZINC000160199080 402338313 /nfs/dbraw/zinc/33/83/13/402338313.db2.gz JZAYWOXSAFMRSG-CYBMUJFWSA-N 0 0 314.172 2.396 50 70 DEIARN CC[C@@H](C(=O)NCC(=O)Nc1cccnc1)c1ccc(F)cc1 ZINC000159627813 337383393 /nfs/dbraw/zinc/38/33/93/337383393.db2.gz NXASLZZARVWJFS-OAHLLOKOSA-N 0 0 315.348 2.469 50 70 DEIARN O=C(NCC[C@H](O)C1CCOCC1)Nc1c(F)cccc1F ZINC000217929256 201528027 /nfs/dbraw/zinc/52/80/27/201528027.db2.gz RKOSRYQUPBALEA-ZDUSSCGKSA-N 0 0 314.332 2.264 50 70 DEIARN O=C(N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1ncoc1C1CC1 ZINC000218117548 201531027 /nfs/dbraw/zinc/53/10/27/201531027.db2.gz XFJCGIIXCJHUJL-YRGRVCCFSA-N 0 0 313.357 2.189 50 70 DEIARN CCc1ccc(C(=O)NCC2(O)C3CC4CC(C3)CC2C4)[nH]1 ZINC000218577332 257274230 /nfs/dbraw/zinc/27/42/30/257274230.db2.gz OSJMOCQGURUWPT-UHFFFAOYSA-N 0 0 302.418 2.494 50 70 DEIARN O=C(c1ccc(-n2cccc2)cc1)N1CC[C@@H](n2ccnn2)C1 ZINC000217687580 402293314 /nfs/dbraw/zinc/29/33/14/402293314.db2.gz FTEYRTWKKFYQFQ-MRXNPFEDSA-N 0 0 307.357 2.156 50 70 DEIARN O=C(Cn1cccc1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217661338 402293663 /nfs/dbraw/zinc/29/36/63/402293663.db2.gz JULKAIJADLZOOB-MRXNPFEDSA-N 0 0 321.384 2.220 50 70 DEIARN CC[C@H](NC(=O)c1c[nH]c(=O)cn1)c1nc2cc(C)ccc2[nH]1 ZINC000217773490 402293844 /nfs/dbraw/zinc/29/38/44/402293844.db2.gz VICWIRKFJVBIEZ-JTQLQIEISA-N 0 0 311.345 2.248 50 70 DEIARN O=C(N[C@@H](Cc1ccncc1)[C@H]1C[C@H](O)C1)c1cc(Cl)c[nH]1 ZINC000218065417 402294268 /nfs/dbraw/zinc/29/42/68/402294268.db2.gz AFDYOMVUTJXBIL-YUTCNCBUSA-N 0 0 319.792 2.175 50 70 DEIARN Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(Cl)cc1Cl ZINC000218338895 402295654 /nfs/dbraw/zinc/29/56/54/402295654.db2.gz VSZXINQCUFZWDV-SECBINFHSA-N 0 0 314.172 2.326 50 70 DEIARN O=C(c1ccsc1)N1CCCN(Cc2ccccn2)CC1 ZINC000218478445 402295898 /nfs/dbraw/zinc/29/58/98/402295898.db2.gz WOLBLFVHXWQMQT-UHFFFAOYSA-N 0 0 301.415 2.491 50 70 DEIARN COc1cccnc1N(C)C(=O)c1c(OC)cccc1OC ZINC000161360796 402384692 /nfs/dbraw/zinc/38/46/92/402384692.db2.gz MBXJBLQIFAJXML-UHFFFAOYSA-N 0 0 302.330 2.384 50 70 DEIARN COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1ccco1 ZINC000218005038 201529549 /nfs/dbraw/zinc/52/95/49/201529549.db2.gz XWZMYKWJZCABPO-QGZVFWFLSA-N 0 0 301.342 2.242 50 70 DEIARN O=C1c2ccccc2[C@H]2N1c1ccccc1C(=O)N2CCCO ZINC000217971162 285026482 /nfs/dbraw/zinc/02/64/82/285026482.db2.gz UIAYVPVWXXVEGZ-MRXNPFEDSA-N 0 0 308.337 2.184 50 70 biogenic DEIARN CC(C)c1nc(CCNC(=O)Cc2ccc(O)c(Cl)c2)no1 ZINC000218598366 257274097 /nfs/dbraw/zinc/27/40/97/257274097.db2.gz NLBVFQPPWUFXPT-UHFFFAOYSA-N 0 0 323.780 2.453 50 70 DEIARN O=S(=O)(NCc1ccc([C@@H](O)c2ccccc2)s1)C1CC1 ZINC000217548172 402292940 /nfs/dbraw/zinc/29/29/40/402292940.db2.gz JEQDBLKOWBEUQA-HNNXBMFYSA-N 0 0 323.439 2.412 50 70 DEIARN O=C(Nc1cnn(CC2CCOCC2)c1)c1cc(C2CC2)on1 ZINC000218224358 402295346 /nfs/dbraw/zinc/29/53/46/402295346.db2.gz HINISGUXWRINED-UHFFFAOYSA-N 0 0 316.361 2.427 50 70 DEIARN O=C(CC1(n2cccc2)CCOCC1)NCCc1ccco1 ZINC000218245733 402295582 /nfs/dbraw/zinc/29/55/82/402295582.db2.gz ISFJVOZZBZPZFA-UHFFFAOYSA-N 0 0 302.374 2.336 50 70 DEIARN O=C(N[C@H]1C=CCCC1)N1CCN(Cc2ccccn2)CC1 ZINC000160703040 402357221 /nfs/dbraw/zinc/35/72/21/402357221.db2.gz IMBIEJGTYFDATQ-HNNXBMFYSA-N 0 0 300.406 2.018 50 70 DEIARN COc1cccc(Cl)c1CC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000160768117 402359845 /nfs/dbraw/zinc/35/98/45/402359845.db2.gz FGQBEYPBGXEORU-WDEREUQCSA-N 0 0 324.808 2.051 50 70 DEIARN COC[C@@H](O)CCNC(=O)CCCc1c[nH]c2ccccc12 ZINC000161364256 402384551 /nfs/dbraw/zinc/38/45/51/402384551.db2.gz GCKILFWEWRALPX-AWEZNQCLSA-N 0 0 304.390 2.004 50 70 DEIARN Cc1cc(-c2cccs2)nn1CCNC(=O)[C@H]1CCOC1 ZINC000217875340 539727050 /nfs/dbraw/zinc/72/70/50/539727050.db2.gz NBYNMYHXDJIMMM-LBPRGKRZSA-N 0 0 305.403 2.073 50 70 DEIARN CCCO[C@H]1CCCN(C(=O)c2nnc3n2CCCCC3)C1 ZINC000217742377 201523702 /nfs/dbraw/zinc/52/37/02/201523702.db2.gz WSJQJFZSRKISBW-ZDUSSCGKSA-N 0 0 306.410 2.036 50 70 DEIARN C[C@H]1Cc2cc(C(=O)N3CCC(n4cnnc4)CC3)ccc2O1 ZINC000218755382 201543863 /nfs/dbraw/zinc/54/38/63/201543863.db2.gz PHIVSPIWWWIBSX-LBPRGKRZSA-N 0 0 312.373 2.079 50 70 DEIARN COC(=O)[C@H](C)NC(=O)CCn1ccc2c1cccc2Cl ZINC000218397426 201539212 /nfs/dbraw/zinc/53/92/12/201539212.db2.gz JZWLJXURNSDTJW-JTQLQIEISA-N 0 0 308.765 2.363 50 70 DEIARN COc1cccc(Cl)c1CC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000160768374 197437310 /nfs/dbraw/zinc/43/73/10/197437310.db2.gz FGQBEYPBGXEORU-GHMZBOCLSA-N 0 0 324.808 2.051 50 70 DEIARN O=C(NC[C@H]1CCCN(c2ccccn2)C1)C(=O)c1ccccc1 ZINC000218579014 257274150 /nfs/dbraw/zinc/27/41/50/257274150.db2.gz SWFNIZPZDGRMDB-OAHLLOKOSA-N 0 0 323.396 2.297 50 70 DEIARN Cc1cc2c(c(=O)o1)[C@@H](c1ccc3c(c1)OCCO3)CC(=O)O2 ZINC000218125659 292000881 /nfs/dbraw/zinc/00/08/81/292000881.db2.gz LHDRVEYMTQTSRP-LLVKDONJSA-N 0 0 314.293 2.160 50 70 biogenic DEIARN CC(C)Cc1cc(C(=O)N(C)[C@H](C)c2ccncc2)[nH]c(=O)n1 ZINC000216957090 402290767 /nfs/dbraw/zinc/29/07/67/402290767.db2.gz RLXGYKYHIGTEQX-GFCCVEGCSA-N 0 0 314.389 2.197 50 70 DEIARN CN1CCN(C(=O)c2ncc(F)cc2F)C[C@H]1c1ccccc1 ZINC000217537889 402292866 /nfs/dbraw/zinc/29/28/66/402292866.db2.gz JMIOWQLPWFZQBS-HNNXBMFYSA-N 0 0 317.339 2.489 50 70 DEIARN Cc1nc(SCCNC(=O)c2ccc(C)c(F)c2F)n[nH]1 ZINC000218173730 402294787 /nfs/dbraw/zinc/29/47/87/402294787.db2.gz KLFQAMJGRIRYCO-UHFFFAOYSA-N 0 0 312.345 2.222 50 70 DEIARN CN(Cc1cc(C2CC2)on1)C(=O)COCC(F)(F)C(F)F ZINC000218104934 402294799 /nfs/dbraw/zinc/29/47/99/402294799.db2.gz LGCNGZFJQNBPTA-UHFFFAOYSA-N 0 0 324.274 2.427 50 70 DEIARN O=C(N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1ncoc1C1CC1 ZINC000218117618 402294882 /nfs/dbraw/zinc/29/48/82/402294882.db2.gz XFJCGIIXCJHUJL-OBJOEFQTSA-N 0 0 313.357 2.189 50 70 DEIARN COc1ccc2c(c1)ncc(C(=O)NCCc1ccncc1)c2O ZINC000218205468 402295008 /nfs/dbraw/zinc/29/50/08/402295008.db2.gz ZYCLUXNBYYOELR-UHFFFAOYSA-N 0 0 323.352 2.317 50 70 DEIARN O=C(NOCc1ccccc1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000161313273 402382085 /nfs/dbraw/zinc/38/20/85/402382085.db2.gz APSJIXRWOOTRFI-ZNMIVQPWSA-N 0 0 302.374 2.375 50 70 DEIARN COCc1ccc([C@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)o1 ZINC000161396848 402385910 /nfs/dbraw/zinc/38/59/10/402385910.db2.gz KCHHKXNKKQOOPT-CQSZACIVSA-N 0 0 316.357 2.102 50 70 DEIARN Cc1nccn1CC[C@H]1CCCCN1C(=O)C(=O)c1ccco1 ZINC000217080146 568416187 /nfs/dbraw/zinc/41/61/87/568416187.db2.gz JCMUDXTXHZWRJL-CQSZACIVSA-N 0 0 315.373 2.439 50 70 DEIARN O=C(NC1CCN(c2ccccc2F)CC1)C(=O)c1ccco1 ZINC000217074737 568416199 /nfs/dbraw/zinc/41/61/99/568416199.db2.gz RWNVEXCGWAXUQI-UHFFFAOYSA-N 0 0 316.332 2.387 50 70 DEIARN CC(C)Cc1cc(C(=O)N[C@@H](C)Cc2cccnc2)nc(N)n1 ZINC000217358435 201514747 /nfs/dbraw/zinc/51/47/47/201514747.db2.gz VCQQKQCCJUYDLC-LBPRGKRZSA-N 0 0 313.405 2.013 50 70 DEIARN O=C(NCC[C@@H](O)C1CCOCC1)Nc1c(F)cccc1F ZINC000217929335 201527371 /nfs/dbraw/zinc/52/73/71/201527371.db2.gz RKOSRYQUPBALEA-CYBMUJFWSA-N 0 0 314.332 2.264 50 70 DEIARN Cc1ccc(C(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)c(F)c1 ZINC000218022435 201529843 /nfs/dbraw/zinc/52/98/43/201529843.db2.gz AVYJKZLMIVHGCY-TZDAIYRESA-N 0 0 317.364 2.110 50 70 DEIARN COC[C@@H]1[C@H](NC(=O)c2cc3ccccc3o2)[C@@H]2CCO[C@H]12 ZINC000218437966 201538445 /nfs/dbraw/zinc/53/84/45/201538445.db2.gz ZZIZVQSIXOWEKT-OJDYBEQGSA-N 0 0 301.342 2.213 50 70 DEIARN O=C(CCn1cccn1)N[C@H](Cn1ccnc1)c1ccccc1 ZINC000218611647 257273859 /nfs/dbraw/zinc/27/38/59/257273859.db2.gz PPKAQDQZRMNYBO-MRXNPFEDSA-N 0 0 309.373 2.027 50 70 DEIARN Cc1[nH]c2ccccc2c1CCNC(=O)C(=O)c1cccn1C ZINC000217352111 402291814 /nfs/dbraw/zinc/29/18/14/402291814.db2.gz FPERYJZWGFHYEL-UHFFFAOYSA-N 0 0 309.369 2.356 50 70 DEIARN CC(C)=CCC/C(C)=C/CN1CCn2nc([C@H](O)CO)cc2C1 ZINC000217335418 402292046 /nfs/dbraw/zinc/29/20/46/402292046.db2.gz DCTMTWUKBJTQNH-YLRAASNFSA-N 0 0 319.449 2.417 50 70 DEIARN CCc1nccn1CC(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000218281782 402295455 /nfs/dbraw/zinc/29/54/55/402295455.db2.gz WTXKQHJHJUVTKB-UHFFFAOYSA-N 0 0 323.400 2.494 50 70 DEIARN Cc1nnnn1CCC(=O)N[C@@H](CC(C)(C)C)c1cccnc1 ZINC000218345220 402295629 /nfs/dbraw/zinc/29/56/29/402295629.db2.gz XKZTVBPTBOGJSH-AWEZNQCLSA-N 0 0 316.409 2.060 50 70 DEIARN CC[C@@H](C)[C@@H](CO)NC(=O)c1ccc2nc(C)c(C)nc2c1 ZINC000218251533 402295651 /nfs/dbraw/zinc/29/56/51/402295651.db2.gz LXAXLHBLFVONAC-QLJPJBMISA-N 0 0 301.390 2.383 50 70 DEIARN C/C=C/CC(=O)N1CCN(Cc2ccc(C)c(C)c2)C(=O)C1 ZINC000218636664 402296261 /nfs/dbraw/zinc/29/62/61/402296261.db2.gz URZGEEKKRHMEBZ-SNAWJCMRSA-N 0 0 300.402 2.440 50 70 DEIARN O=C(c1cc(Cl)ccc1F)N1C[C@H]2CCC[C@@H](C1)NC2=O ZINC000217981546 201529657 /nfs/dbraw/zinc/52/96/57/201529657.db2.gz VHALSXCIBFKYAX-KOLCDFICSA-N 0 0 310.756 2.220 50 70 DEIARN CN1C[C@]2(CCN(C(=O)c3csc4c3CCCC4)C2)OC1=O ZINC000217211325 402291124 /nfs/dbraw/zinc/29/11/24/402291124.db2.gz DDCYPCVBKXIQIS-INIZCTEOSA-N 0 0 320.414 2.294 50 70 DEIARN CSc1ncccc1C(=O)NCCCn1c(C)cccc1=O ZINC000217473359 402292295 /nfs/dbraw/zinc/29/22/95/402292295.db2.gz LTMDLQJWMOWMFW-UHFFFAOYSA-N 0 0 317.414 2.094 50 70 DEIARN CCc1c(C)scc1C(=O)N1CCCn2nc(CO)cc2C1 ZINC000217485821 402292491 /nfs/dbraw/zinc/29/24/91/402292491.db2.gz GSLCKXQGHVATAQ-UHFFFAOYSA-N 0 0 319.430 2.354 50 70 DEIARN O=S(=O)(NCC[C@H](O)c1ccsc1)c1cccs1 ZINC000217535053 402292856 /nfs/dbraw/zinc/29/28/56/402292856.db2.gz UGMBQJDTYCNCFD-JTQLQIEISA-N 0 0 303.430 2.212 50 70 DEIARN CCCc1nnc(N2CCCn3nc([C@H](C)O)cc3C2)s1 ZINC000217637404 402292965 /nfs/dbraw/zinc/29/29/65/402292965.db2.gz BIIUWYYFWXEGJW-JTQLQIEISA-N 0 0 307.423 2.151 50 70 DEIARN O=C(CN1Cc2ccccc2C1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000217562093 402293016 /nfs/dbraw/zinc/29/30/16/402293016.db2.gz HNCOHMSTAWNDFK-INIZCTEOSA-N 0 0 310.401 2.132 50 70 DEIARN CCOCC(=O)N[C@H](C)c1cnn(-c2cccc(OC)c2)c1 ZINC000218468248 402296056 /nfs/dbraw/zinc/29/60/56/402296056.db2.gz SMHYQOQIBCXLBX-GFCCVEGCSA-N 0 0 303.362 2.095 50 70 DEIARN COCc1nc(C)c(CNC(=O)c2cnc(SC)nc2)s1 ZINC000218705218 402296596 /nfs/dbraw/zinc/29/65/96/402296596.db2.gz IOHUONKDEJFINP-UHFFFAOYSA-N 0 0 324.431 2.040 50 70 DEIARN Cc1cc(C)n(-c2ccc(C(=O)N3CCC[NH2+]CC3)cc2F)n1 ZINC000160880070 402364266 /nfs/dbraw/zinc/36/42/66/402364266.db2.gz XUFXAJKHHJDATO-UHFFFAOYSA-N 0 0 316.380 2.064 50 70 DEIARN O=C(NOCc1ccccc1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000161313520 402381953 /nfs/dbraw/zinc/38/19/53/402381953.db2.gz APSJIXRWOOTRFI-KFWWJZLASA-N 0 0 302.374 2.375 50 70 DEIARN CCc1[nH]nc(NC(=O)[C@@H]2CC[C@H](C)O2)c1Br ZINC000159850328 402331925 /nfs/dbraw/zinc/33/19/25/402331925.db2.gz ACHRJYUDFJQEKC-XPUUQOCRSA-N 0 0 302.172 2.241 50 70 DEIARN CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)Sc2ccncc2)C1 ZINC000159944017 521290871 /nfs/dbraw/zinc/29/08/71/521290871.db2.gz XBOLZPQZKDJTII-OLZOCXBDSA-N 0 0 322.430 2.364 50 70 DEIARN CC[C@@H](C(=O)NCC[C@H](O)C1CCOCC1)c1ccccc1 ZINC000217916090 539726739 /nfs/dbraw/zinc/72/67/39/539726739.db2.gz NTSDBTFPDBJIEE-SJORKVTESA-N 0 0 305.418 2.474 50 70 DEIARN O=C(N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1)c1ccn[nH]1 ZINC000218026056 201529194 /nfs/dbraw/zinc/52/91/94/201529194.db2.gz LOIJXUGDLUHYHC-MKTAYPAQSA-N 0 0 322.368 2.200 50 70 DEIARN Cn1cc([C@H](NC(=O)CCc2ccsc2)[C@H]2C[C@H](O)C2)cn1 ZINC000218086168 201531727 /nfs/dbraw/zinc/53/17/27/201531727.db2.gz VFRVPQJTLASTBS-IVMMDQJWSA-N 0 0 319.430 2.043 50 70 DEIARN CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1cncc(F)c1 ZINC000218684341 201541381 /nfs/dbraw/zinc/54/13/81/201541381.db2.gz IRMNDCFOHDKYRR-CABCVRRESA-N 0 0 308.353 2.091 50 70 DEIARN CSc1ccc(C(=O)NCCCn2ccccc2=O)cc1 ZINC000217202845 402291078 /nfs/dbraw/zinc/29/10/78/402291078.db2.gz JSTFSVKDJNIKHF-UHFFFAOYSA-N 0 0 302.399 2.390 50 70 DEIARN CN1C[C@@]2(CCN(C(=O)c3csc4c3CCCC4)C2)OC1=O ZINC000217211319 402291433 /nfs/dbraw/zinc/29/14/33/402291433.db2.gz DDCYPCVBKXIQIS-MRXNPFEDSA-N 0 0 320.414 2.294 50 70 DEIARN C[C@@](O)(CNC(=O)[C@@H]1CCOC1)c1cc2ccccc2s1 ZINC000217508752 402292538 /nfs/dbraw/zinc/29/25/38/402292538.db2.gz MPTKQTSDHUZHNJ-MLGOLLRUSA-N 0 0 305.399 2.262 50 70 DEIARN Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2ccc3ncccc3c2)o1 ZINC000217656858 402293583 /nfs/dbraw/zinc/29/35/83/402293583.db2.gz UDAADNWARLZOAB-CYBMUJFWSA-N 0 0 324.336 2.209 50 70 biogenic DEIARN C[C@H](C(=O)NCc1cc(C(C)(C)C)n[nH]1)n1cc(Cl)cn1 ZINC000218391522 402295969 /nfs/dbraw/zinc/29/59/69/402295969.db2.gz LDIVVFRKRQEBBY-SECBINFHSA-N 0 0 309.801 2.435 50 70 DEIARN Cc1occc(=O)c1OCC(=O)N[C@H](C)CCc1ccccc1 ZINC000218512105 402295979 /nfs/dbraw/zinc/29/59/79/402295979.db2.gz MMZZTFFRDMAZTC-CYBMUJFWSA-N 0 0 315.369 2.465 50 70 DEIARN FC(F)(F)c1csc(N2CCC[C@@H]2CN2CCOCC2)n1 ZINC000160415315 402344910 /nfs/dbraw/zinc/34/49/10/402344910.db2.gz XOEUVBYIKIIECD-SNVBAGLBSA-N 0 0 321.368 2.463 50 70 DEIARN C[C@@H](NC(=O)Nc1ccnn1C[C@@H]1CCOC1)c1cccnc1 ZINC000159726015 186137893 /nfs/dbraw/zinc/13/78/93/186137893.db2.gz QMXDKKGLWRQLRL-OLZOCXBDSA-N 0 0 315.377 2.197 50 70 DEIARN CC[C@H](O)c1cc2n(n1)CCCN(Cc1cccnc1NC)C2 ZINC000217147001 402291196 /nfs/dbraw/zinc/29/11/96/402291196.db2.gz NBELZKBRXBTANW-INIZCTEOSA-N 0 0 315.421 2.169 50 70 DEIARN COc1ccc2[nH]c(C(=O)NCc3cnn4cccnc34)cc2c1 ZINC000217204106 402291307 /nfs/dbraw/zinc/29/13/07/402291307.db2.gz BPIFYYWGAVPFGJ-UHFFFAOYSA-N 0 0 321.340 2.149 50 70 DEIARN CSc1ncccc1C(=O)N1CCC[C@@H]1c1nnc(C)[nH]1 ZINC000217715147 402293509 /nfs/dbraw/zinc/29/35/09/402293509.db2.gz ABVRDPLQPXOKKI-LLVKDONJSA-N 0 0 303.391 2.207 50 70 DEIARN CC[C@@H](C)[C@@H](CO)NC(=O)CCc1nnc(-c2ccccc2)o1 ZINC000218144094 402294829 /nfs/dbraw/zinc/29/48/29/402294829.db2.gz LHDJZLPAKPHKLO-TZMCWYRMSA-N 0 0 317.389 2.192 50 70 DEIARN COCCn1c(C)cc(C)c(C(=O)Nc2ccc(O)cc2)c1=O ZINC000218293385 402295341 /nfs/dbraw/zinc/29/53/41/402295341.db2.gz ADJTUMGBUWIKKV-UHFFFAOYSA-N 0 0 316.357 2.069 50 70 DEIARN CC(C)c1cc(=O)n(CC(=O)N[C@@H](C)c2cccs2)cn1 ZINC000160733425 402358478 /nfs/dbraw/zinc/35/84/78/402358478.db2.gz PNEZCDMQVHPUGT-NSHDSACASA-N 0 0 305.403 2.306 50 70 DEIARN Cc1cc(C[C@H](C)NC(=O)Nc2cnc(C3CC3)nc2)[nH]n1 ZINC000159589444 355961988 /nfs/dbraw/zinc/96/19/88/355961988.db2.gz CQCSJPFVGPQKOU-VIFPVBQESA-N 0 0 300.366 2.138 50 70 DEIARN CN(Cc1cc(-c2ccccn2)no1)C(=O)Cc1cccnc1 ZINC000218097730 201532001 /nfs/dbraw/zinc/53/20/01/201532001.db2.gz ALJJJQWRFZNCEM-UHFFFAOYSA-N 0 0 308.341 2.333 50 70 DEIARN CC(C)c1nnc([C@H](C)NC(=O)CCN2CCCCCC2=O)o1 ZINC000217171152 402291164 /nfs/dbraw/zinc/29/11/64/402291164.db2.gz PTFIZZJJQWOEDU-LBPRGKRZSA-N 0 0 322.409 2.163 50 70 DEIARN CSc1ccc(CC(=O)N2C[C@H]3CCC[C@@H](C2)NC3=O)cc1 ZINC000217188853 402291555 /nfs/dbraw/zinc/29/15/55/402291555.db2.gz CLNSWVPEWVGIGG-KGLIPLIRSA-N 0 0 318.442 2.078 50 70 DEIARN CSc1ncccc1C(=O)NCCc1noc(C2CCC2)n1 ZINC000217582130 402292913 /nfs/dbraw/zinc/29/29/13/402292913.db2.gz FMMXECQOFCHMJB-UHFFFAOYSA-N 0 0 318.402 2.427 50 70 DEIARN Cc1cnc(C(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cn1 ZINC000217532673 402293097 /nfs/dbraw/zinc/29/30/97/402293097.db2.gz FQJAZVQYERLGNP-UHFFFAOYSA-N 0 0 323.352 2.087 50 70 DEIARN Cc1noc(C)c1CN(C)C(=O)COCC(F)(F)C(F)F ZINC000218355100 402295562 /nfs/dbraw/zinc/29/55/62/402295562.db2.gz NVULYBJXJQFCLV-UHFFFAOYSA-N 0 0 312.263 2.167 50 70 DEIARN COCCN1C[C@H](Cc2cc(C(F)(F)F)ccn2)CC1=O ZINC000218471840 402295956 /nfs/dbraw/zinc/29/59/56/402295956.db2.gz NNIVILBPQRZMHG-SNVBAGLBSA-N 0 0 302.296 2.138 50 70 DEIARN Cn1cccc1[C@@H](O)CCNC(=O)Cc1ccccc1Cl ZINC000217934176 424885012 /nfs/dbraw/zinc/88/50/12/424885012.db2.gz NFRPBOPSJBFPLK-HNNXBMFYSA-N 0 0 306.793 2.461 50 70 DEIARN O=C(N[C@@H]1C[C@@H]2OCC[C@H]12)C1=Cc2cc(Cl)ccc2OC1 ZINC000218747147 279934600 /nfs/dbraw/zinc/93/46/00/279934600.db2.gz HQWCPVAMXZGSDY-NFAWXSAZSA-N 0 0 305.761 2.409 50 70 DEIARN CCCN(C[C@@H]1CCCO1)C(=O)c1cc(C(C)(C)C)nc(=O)[nH]1 ZINC000217062607 201509212 /nfs/dbraw/zinc/50/92/12/201509212.db2.gz MPSFIKZJWLPJIZ-LBPRGKRZSA-N 0 0 321.421 2.099 50 70 DEIARN C[C@](O)(CNS(=O)(=O)C1CC1)c1cc2ccccc2s1 ZINC000217510783 201516856 /nfs/dbraw/zinc/51/68/56/201516856.db2.gz QFKHRQIGGWJKQR-AWEZNQCLSA-N 0 0 311.428 2.191 50 70 DEIARN COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1ccoc1 ZINC000218009210 201529914 /nfs/dbraw/zinc/52/99/14/201529914.db2.gz QSXONSPYPOVAHK-QGZVFWFLSA-N 0 0 301.342 2.242 50 70 DEIARN Cc1c[nH]c(C(=O)N(C)CCc2nc3cc(F)ccc3[nH]2)n1 ZINC000217498373 402292289 /nfs/dbraw/zinc/29/22/89/402292289.db2.gz VCUIHLQITNVJQJ-UHFFFAOYSA-N 0 0 301.325 2.048 50 70 DEIARN O=C(NCCc1c[nH]cn1)c1cnc2c(Cl)cccc2c1O ZINC000218252900 402295478 /nfs/dbraw/zinc/29/54/78/402295478.db2.gz JPQBOVWDGRXOSQ-UHFFFAOYSA-N 0 0 316.748 2.289 50 70 DEIARN Cc1cccc2c1ncnc2N1CCC[C@H]1CN1CCOCC1 ZINC000160391950 281310682 /nfs/dbraw/zinc/31/06/82/281310682.db2.gz XSUYUOZMMKFQMU-HNNXBMFYSA-N 0 0 312.417 2.239 50 70 DEIARN Cc1n[nH]c(C)c1CCCNc1cc(C2CC(O)C2)ncn1 ZINC000218556780 333393701 /nfs/dbraw/zinc/39/37/01/333393701.db2.gz NQIDBTSOLPPITJ-UHFFFAOYSA-N 0 0 301.394 2.100 50 70 DEIARN CC[C@@H](NC(=O)CCc1cccnc1)c1cn2cccnc2n1 ZINC000217514795 201519369 /nfs/dbraw/zinc/51/93/69/201519369.db2.gz KVCIQZPHNNLZNY-CQSZACIVSA-N 0 0 309.373 2.324 50 70 DEIARN CCSc1ccc(C(=O)N(C)C[C@H]2COCCO2)s1 ZINC000216910514 402290021 /nfs/dbraw/zinc/29/00/21/402290021.db2.gz NFKLTJIJMATTAE-JTQLQIEISA-N 0 0 301.433 2.348 50 70 DEIARN CSc1ncccc1C(=O)N(C)[C@@H](C)Cc1cnccn1 ZINC000218385313 402295579 /nfs/dbraw/zinc/29/55/79/402295579.db2.gz KURPDEBTZXEALE-NSHDSACASA-N 0 0 302.403 2.297 50 70 DEIARN COc1ccc2ncc(C(=O)NCC3CCOCC3)c(O)c2c1 ZINC000218382796 402295694 /nfs/dbraw/zinc/29/56/94/402295694.db2.gz CKGWMKWTCBVZLG-UHFFFAOYSA-N 0 0 316.357 2.105 50 70 DEIARN COC[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccnn1C ZINC000218725392 402296354 /nfs/dbraw/zinc/29/63/54/402296354.db2.gz ATQJRJYEHJXZRJ-INIZCTEOSA-N 0 0 313.401 2.416 50 70 DEIARN Cc1cccc2c1ncnc2N1CCC[C@@H]1CN1CCOCC1 ZINC000160391821 281310325 /nfs/dbraw/zinc/31/03/25/281310325.db2.gz XSUYUOZMMKFQMU-OAHLLOKOSA-N 0 0 312.417 2.239 50 70 DEIARN CC[C@@H](C)[C@@H](CO)NC(=O)c1c[nH]nc1-c1ccccc1OC ZINC000218171341 201533910 /nfs/dbraw/zinc/53/39/10/201533910.db2.gz QLQLWCMBQYEFED-BXUZGUMPSA-N 0 0 317.389 2.222 50 70 DEIARN Cc1ccccc1OCC(=O)NCCSC1CCOCC1 ZINC000217700567 201522316 /nfs/dbraw/zinc/52/23/16/201522316.db2.gz KUQLZNVRLJMFLM-UHFFFAOYSA-N 0 0 309.431 2.402 50 70 DEIARN COc1ccc(CCCC(=O)N(C)CCc2noc(C)n2)cc1 ZINC000217992085 201530426 /nfs/dbraw/zinc/53/04/26/201530426.db2.gz XVLFXDMUZFTLHO-UHFFFAOYSA-N 0 0 317.389 2.410 50 70 DEIARN CC(C)(O)CCc1cccc(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)c1 ZINC000218581915 257273826 /nfs/dbraw/zinc/27/38/26/257273826.db2.gz UKCVICYLQQLQAN-PMPSAXMXSA-N 0 0 303.402 2.297 50 70 DEIARN O=C(CCn1cccn1)N[C@@H](Cn1ccnc1)c1ccccc1 ZINC000218611551 257274043 /nfs/dbraw/zinc/27/40/43/257274043.db2.gz PPKAQDQZRMNYBO-INIZCTEOSA-N 0 0 309.373 2.027 50 70 DEIARN Cc1nnc(CCNC(=O)Cc2cn(C)c3ccccc23)s1 ZINC000216943417 402290535 /nfs/dbraw/zinc/29/05/35/402290535.db2.gz CYEQOIGTNIGZPJ-UHFFFAOYSA-N 0 0 314.414 2.240 50 70 DEIARN Cc1nnc([C@@H]2CCCN(C(=O)c3ccccc3N(C)C)C2)[nH]1 ZINC000216961157 402290595 /nfs/dbraw/zinc/29/05/95/402290595.db2.gz UVYUSJCWBZBLFA-CYBMUJFWSA-N 0 0 313.405 2.199 50 70 DEIARN Cc1cc(=O)cc(C(=O)NCc2nc3cc(Cl)ccc3[nH]2)o1 ZINC000217202363 402291236 /nfs/dbraw/zinc/29/12/36/402291236.db2.gz PHNPKAYZOHWXDC-UHFFFAOYSA-N 0 0 317.732 2.408 50 70 DEIARN C[C@@H](O)c1cc2n(n1)CCCN(c1ncnc3ccsc31)C2 ZINC000217453749 402292300 /nfs/dbraw/zinc/29/23/00/402292300.db2.gz UALAXBQZZXPLCB-SNVBAGLBSA-N 0 0 315.402 2.351 50 70 DEIARN Cc1ccc2[nH]c([C@H](C)NC(=O)c3cc(CO)ccn3)nc2c1 ZINC000217477074 402292409 /nfs/dbraw/zinc/29/24/09/402292409.db2.gz OZQZFKFUUBFLGF-NSHDSACASA-N 0 0 310.357 2.250 50 70 DEIARN Cc1ccc(C(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)cc1F ZINC000218071204 402294409 /nfs/dbraw/zinc/29/44/09/402294409.db2.gz IHDBUGJEXJZPTF-LDZOIKDWSA-N 0 0 317.364 2.110 50 70 DEIARN COC(=O)CC1CCN(C(=O)c2n[nH]c3c2CCCCC3)CC1 ZINC000218164214 402294969 /nfs/dbraw/zinc/29/49/69/402294969.db2.gz SBAXZFRFEZIDJD-UHFFFAOYSA-N 0 0 319.405 2.094 50 70 DEIARN CSCC[C@@H](CO)NC(=O)c1ccc2nc(C)c(C)nc2c1 ZINC000218353704 402295473 /nfs/dbraw/zinc/29/54/73/402295473.db2.gz YTZNBTBXNHVJEI-ZDUSSCGKSA-N 0 0 319.430 2.090 50 70 DEIARN Cc1noc(C)c1CCCNC(=O)c1scc2c1OCCO2 ZINC000218275367 402295674 /nfs/dbraw/zinc/29/56/74/402295674.db2.gz XCXHIYGHAIVFSR-UHFFFAOYSA-N 0 0 322.386 2.487 50 70 DEIARN COC(=O)C[C@@H](c1ccncc1)c1cc2c(cc1O)OCO2 ZINC000218088352 201531433 /nfs/dbraw/zinc/53/14/33/201531433.db2.gz QKKAVASZXLXXQU-NSHDSACASA-N 0 0 301.298 2.211 50 70 biogenic DEIARN COc1nccnc1N[C@@H]1CCOC[C@H]1OCc1ccccc1 ZINC000218185276 201533585 /nfs/dbraw/zinc/53/35/85/201533585.db2.gz NOTCWTLKJKHOBQ-HUUCEWRRSA-N 0 0 315.373 2.271 50 70 DEIARN CCc1ccc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)[nH]1 ZINC000218489691 201539040 /nfs/dbraw/zinc/53/90/40/201539040.db2.gz KKVMWRWOJGHLDH-UHFFFAOYSA-N 0 0 317.433 2.442 50 70 DEIARN COc1cccc(Cl)c1CC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000160768247 197437190 /nfs/dbraw/zinc/43/71/90/197437190.db2.gz FGQBEYPBGXEORU-QWRGUYRKSA-N 0 0 324.808 2.051 50 70 DEIARN CCOC(=O)C1(C(=O)Nc2ccc3c(c2)N(C)CCO3)CCC1 ZINC000159946274 197376329 /nfs/dbraw/zinc/37/63/29/197376329.db2.gz GEJOXADKNMHGCB-UHFFFAOYSA-N 0 0 318.373 2.187 50 70 DEIARN Cc1nc[nH]c1CN1CCn2nc([C@H](O)c3ccccc3)cc2C1 ZINC000217193335 402291364 /nfs/dbraw/zinc/29/13/64/402291364.db2.gz CFOPFVYMCKIILJ-GOSISDBHSA-N 0 0 323.400 2.012 50 70 DEIARN CN(C)[C@H](C(=O)N1CCC(C)(CO)CC1)c1ccccc1F ZINC000217199502 402291461 /nfs/dbraw/zinc/29/14/61/402291461.db2.gz AUBBJZCJMWEIHV-HNNXBMFYSA-N 0 0 308.397 2.049 50 70 DEIARN O=C(Cc1ccc2c(c1)OCC2)Nc1ccc2nc[nH]c(=O)c2c1 ZINC000217591627 402292992 /nfs/dbraw/zinc/29/29/92/402292992.db2.gz UXSPTFLKEDMTJT-UHFFFAOYSA-N 0 0 321.336 2.039 50 70 biogenic DEIARN CN1CCN(C(=O)c2ncc(F)cc2F)C[C@@H]1c1ccccc1 ZINC000217537792 402293026 /nfs/dbraw/zinc/29/30/26/402293026.db2.gz JMIOWQLPWFZQBS-OAHLLOKOSA-N 0 0 317.339 2.489 50 70 DEIARN O=C(c1ccno1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217804853 402293856 /nfs/dbraw/zinc/29/38/56/402293856.db2.gz YNJHIULHXPTQOM-SNVBAGLBSA-N 0 0 302.334 2.030 50 70 DEIARN Cn1cc([C@H](NC(=O)c2ccc3[nH]ccc3c2)[C@H]2C[C@@H](O)C2)cn1 ZINC000218176780 402294817 /nfs/dbraw/zinc/29/48/17/402294817.db2.gz HYDTYBDVYOZIQI-FRFSOERESA-N 0 0 324.384 2.143 50 70 DEIARN Cc1cc(CC(=O)N[C@@H](c2nccn2C)c2ccccc2)on1 ZINC000218237404 402295409 /nfs/dbraw/zinc/29/54/09/402295409.db2.gz GECOOEUFGHTAFE-MRXNPFEDSA-N 0 0 310.357 2.165 50 70 DEIARN COc1ccccc1C1CCN(C(=O)Cc2nonc2C)CC1 ZINC000218288253 402295591 /nfs/dbraw/zinc/29/55/91/402295591.db2.gz ZZAVTAVRZSPZSQ-UHFFFAOYSA-N 0 0 315.373 2.335 50 70 DEIARN CCn1cnnc1CCNC(=O)c1c(O)ccc2ccccc21 ZINC000218270064 402295601 /nfs/dbraw/zinc/29/56/01/402295601.db2.gz SZMWLUONASWFJI-UHFFFAOYSA-N 0 0 310.357 2.129 50 70 DEIARN CC(=O)Nc1cccc2c1ccn2CC(=O)NCc1cccn1C ZINC000218360676 402295649 /nfs/dbraw/zinc/29/56/49/402295649.db2.gz JIXZTROGDJBIMU-UHFFFAOYSA-N 0 0 324.384 2.255 50 70 DEIARN COc1ccc([C@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc1OC ZINC000218048098 286377347 /nfs/dbraw/zinc/37/73/47/286377347.db2.gz AUDCNNGISXTLAD-LLVKDONJSA-N 0 0 316.309 2.406 50 70 biogenic DEIARN NC(=O)C[C@H]1CCCN(C(=O)Nc2cc(F)c(F)c(F)c2)C1 ZINC000160910209 337383456 /nfs/dbraw/zinc/38/34/56/337383456.db2.gz DMPNIDDYKWEYNP-MRVPVSSYSA-N 0 0 315.295 2.223 50 70 DEIARN Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2ccnc3ccccc32)o1 ZINC000217872828 539726752 /nfs/dbraw/zinc/72/67/52/539726752.db2.gz GEFHRCGXCVVYQP-CYBMUJFWSA-N 0 0 324.336 2.209 50 70 biogenic DEIARN O=C(c1cc(Cl)c[nH]c1=O)N(Cc1nccs1)C1CC1 ZINC000218686687 356273388 /nfs/dbraw/zinc/27/33/88/356273388.db2.gz PAHHLRLCJIYWTE-UHFFFAOYSA-N 0 0 309.778 2.290 50 70 DEIARN O=C(NCCc1c[nH]cn1)c1cnc2cc(Cl)ccc2c1O ZINC000218144915 201533907 /nfs/dbraw/zinc/53/39/07/201533907.db2.gz DINGUJUIEKYSQB-UHFFFAOYSA-N 0 0 316.748 2.289 50 70 DEIARN Cn1cc([C@H](NC(=O)C2CCCCCC2)C2CC(O)C2)cn1 ZINC000218580535 257274029 /nfs/dbraw/zinc/27/40/29/257274029.db2.gz UUJCZTISBDHQRH-AVVWSFFYSA-N 0 0 305.422 2.319 50 70 DEIARN CO[C@@H](CNC(=O)c1cccn(C)c1=O)c1ccccc1Cl ZINC000218312683 285607050 /nfs/dbraw/zinc/60/70/50/285607050.db2.gz IJZLKLWXNYXZTL-AWEZNQCLSA-N 0 0 320.776 2.156 50 70 DEIARN O=C(NCCCn1ccnn1)[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000218473919 402295964 /nfs/dbraw/zinc/29/59/64/402295964.db2.gz CHSJRCKESONCNH-HNNXBMFYSA-N 0 0 323.400 2.386 50 70 DEIARN O=C(N[C@@H]1CCOC[C@H]1O)C(c1ccccc1)c1ccccc1 ZINC000218744602 402296367 /nfs/dbraw/zinc/29/63/67/402296367.db2.gz WRYBGFNFEWDMBX-IAGOWNOFSA-N 0 0 311.381 2.085 50 70 DEIARN CCc1ncnc(N2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1F ZINC000160504003 402348499 /nfs/dbraw/zinc/34/84/99/402348499.db2.gz SLOQPOMNVGOCFV-HZSPNIEDSA-N 0 0 322.428 2.256 50 70 DEIARN COC(CN1CCc2cccc(Br)c2C1)OC ZINC000161158738 402375536 /nfs/dbraw/zinc/37/55/36/402375536.db2.gz HSFDBEUUIMOURA-UHFFFAOYSA-N 0 0 300.196 2.426 50 70 DEIARN COc1ccccc1N1CC[C@H](NC(=O)CC[C@@H]2CCCO2)C1 ZINC000161066039 524574167 /nfs/dbraw/zinc/57/41/67/524574167.db2.gz RPFBLUJABMMIGW-GJZGRUSLSA-N 0 0 318.417 2.349 50 70 DEIARN CCc1oc2ccccc2c1C(=O)N(C)CC(=O)NC1CC1 ZINC000160734810 355966210 /nfs/dbraw/zinc/96/62/10/355966210.db2.gz VXEOEOCVTUWPCV-UHFFFAOYSA-N 0 0 300.358 2.346 50 70 DEIARN COc1ccc(CNC(=O)NCCSC2CCOCC2)cc1 ZINC000217708493 201522981 /nfs/dbraw/zinc/52/29/81/201522981.db2.gz WXMVJSGUPLJLMB-UHFFFAOYSA-N 0 0 324.446 2.407 50 70 DEIARN COC(=O)[C@H](C)Nc1ccc(N2CCOC(C)(C)C2)cc1OC ZINC000160278163 197397612 /nfs/dbraw/zinc/39/76/12/197397612.db2.gz GITYMMFBYANCBS-LBPRGKRZSA-N 0 0 322.405 2.284 50 70 DEIARN CC[C@H](NS(=O)(=O)N1CCCCCC1)c1nccs1 ZINC000159974690 197377946 /nfs/dbraw/zinc/37/79/46/197377946.db2.gz AKADQCOTSOVCMA-NSHDSACASA-N 0 0 303.453 2.305 50 70 DEIARN CC1(C)OC(=O)C[C@@H]1C(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000218600079 257273951 /nfs/dbraw/zinc/27/39/51/257273951.db2.gz OUIZKIGBJBJYCU-CYBMUJFWSA-N 0 0 318.348 2.307 50 70 DEIARN C[C@@H](NC(=O)c1cccc(=O)[nH]1)c1cnn(-c2ccccc2)c1 ZINC000216977220 402290591 /nfs/dbraw/zinc/29/05/91/402290591.db2.gz DWYLRSBTPUVZEA-GFCCVEGCSA-N 0 0 308.341 2.052 50 70 DEIARN CC[C@H](O)c1cc2n(n1)CCN(CCOc1ccc(F)cc1)C2 ZINC000217189569 402291449 /nfs/dbraw/zinc/29/14/49/402291449.db2.gz QOSBECLDLWNMFG-KRWDZBQOSA-N 0 0 319.380 2.360 50 70 DEIARN O=C(NCCSC1CCOCC1)c1cc(-c2ccco2)n[nH]1 ZINC000217707475 402293478 /nfs/dbraw/zinc/29/34/78/402293478.db2.gz OMNNYAYQLWRJQC-UHFFFAOYSA-N 0 0 321.402 2.312 50 70 DEIARN COCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000217981289 402294307 /nfs/dbraw/zinc/29/43/07/402294307.db2.gz IUYOZVJDDLSNPM-MRXNPFEDSA-N 0 0 308.337 2.448 50 70 biogenic DEIARN CN(Cc1[nH]nc2c1CCC2)C(=O)[C@@H](O)c1ccccc1Cl ZINC000218160774 402295063 /nfs/dbraw/zinc/29/50/63/402295063.db2.gz LYHMKMHYGSMGRT-HNNXBMFYSA-N 0 0 319.792 2.244 50 70 DEIARN Cc1ccc(F)c(OCC(=O)Nc2n[nH]c(C(F)(F)F)n2)c1 ZINC000160803336 402361244 /nfs/dbraw/zinc/36/12/44/402361244.db2.gz NMSFPGLJUVWLIP-UHFFFAOYSA-N 0 0 318.230 2.289 50 70 DEIARN Cc1cc(C(=O)N[C@@H](c2nccn2C)c2ccccc2)nc(C)n1 ZINC000217971015 201529610 /nfs/dbraw/zinc/52/96/10/201529610.db2.gz ROSHLGAMOMLCHQ-MRXNPFEDSA-N 0 0 321.384 2.346 50 70 DEIARN COc1ccc(C(=O)N[C@@H]2COCC[C@H]2OC)c2ccccc12 ZINC000218284131 201535002 /nfs/dbraw/zinc/53/50/02/201535002.db2.gz MCYICXWCPQMDEW-NVXWUHKLSA-N 0 0 315.369 2.382 50 70 DEIARN Cc1nc(-c2cccc(NC(=O)[C@@H](O)c3ccccc3)c2)n[nH]1 ZINC000160226286 197394249 /nfs/dbraw/zinc/39/42/49/197394249.db2.gz MDNZDXAYENIQIP-HNNXBMFYSA-N 0 0 308.341 2.452 50 70 DEIARN CCSc1ccc(C(=O)N(C)C[C@@H]2COCCO2)s1 ZINC000216910490 402290227 /nfs/dbraw/zinc/29/02/27/402290227.db2.gz NFKLTJIJMATTAE-SNVBAGLBSA-N 0 0 301.433 2.348 50 70 DEIARN CC[C@@H](O)c1cc2n(n1)CCCN(Cc1cccnc1NC)C2 ZINC000217146987 402291319 /nfs/dbraw/zinc/29/13/19/402291319.db2.gz NBELZKBRXBTANW-MRXNPFEDSA-N 0 0 315.421 2.169 50 70 DEIARN Cc1cc(C(=O)N2CC[C@@H](n3cc(-c4ccccc4)nn3)C2)no1 ZINC000217653936 402293476 /nfs/dbraw/zinc/29/34/76/402293476.db2.gz DKULVZNVNFHAEZ-CQSZACIVSA-N 0 0 323.356 2.329 50 70 DEIARN COC(=O)c1ccc(C(=O)NCCSC2CCOCC2)cc1 ZINC000217701039 402293600 /nfs/dbraw/zinc/29/36/00/402293600.db2.gz FPBCMOFSBRHPGP-UHFFFAOYSA-N 0 0 323.414 2.115 50 70 DEIARN O=C(c1ccno1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000217804888 402293961 /nfs/dbraw/zinc/29/39/61/402293961.db2.gz YNJHIULHXPTQOM-JTQLQIEISA-N 0 0 302.334 2.030 50 70 DEIARN COc1ccc([C@H]2CC(=O)Oc3cc(C)oc(=O)c32)c(OC)c1 ZINC000217957452 402294208 /nfs/dbraw/zinc/29/42/08/402294208.db2.gz LVPNNKZKVQLQSV-GFCCVEGCSA-N 0 0 316.309 2.406 50 70 biogenic DEIARN COCc1cc(CNC(=O)c2ccc(N3CCCC3)cc2)[nH]n1 ZINC000218006625 402294336 /nfs/dbraw/zinc/29/43/36/402294336.db2.gz ZOWLFSMXQQAUSK-UHFFFAOYSA-N 0 0 314.389 2.086 50 70 DEIARN CCO[C@H]1CN(C(=O)c2ccc(Oc3ccccc3)o2)C[C@@H]1O ZINC000218265318 402295393 /nfs/dbraw/zinc/29/53/93/402295393.db2.gz AXNSNGMHXHDBNZ-ZFWWWQNUSA-N 0 0 317.341 2.294 50 70 DEIARN COC[C@@H]1[C@H](NC(=O)Nc2ccc(C(C)=O)cc2)[C@@H]2CCO[C@H]12 ZINC000218381515 402295523 /nfs/dbraw/zinc/29/55/23/402295523.db2.gz USDBJYXXEWOYFF-JJXSEGSLSA-N 0 0 318.373 2.061 50 70 DEIARN O=C(Cc1ccsc1)N[C@H](Cc1ccncc1)C1CC(O)C1 ZINC000218470738 402296191 /nfs/dbraw/zinc/29/61/91/402296191.db2.gz NDIUABTZOYZTPA-UYSNPLJNSA-N 0 0 316.426 2.184 50 70 DEIARN CCOC(=O)CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161008579 402369255 /nfs/dbraw/zinc/36/92/55/402369255.db2.gz HCOFHNUNGRRELS-CHWSQXEVSA-N 0 0 317.307 2.376 50 70 DEIARN COc1ccc([C@@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc1OC ZINC000218048017 286360269 /nfs/dbraw/zinc/36/02/69/286360269.db2.gz AUDCNNGISXTLAD-NSHDSACASA-N 0 0 316.309 2.406 50 70 biogenic DEIARN Cn1cc(NC(=O)Nc2ccnn2Cc2ccccc2F)cn1 ZINC000160561820 355965410 /nfs/dbraw/zinc/96/54/10/355965410.db2.gz ACQVXRZQQOOYBU-UHFFFAOYSA-N 0 0 314.324 2.448 50 70 DEIARN COc1ccc(NC(=O)CC2(n3cccc3)CCOCC2)cn1 ZINC000218262491 201534818 /nfs/dbraw/zinc/53/48/18/201534818.db2.gz YGQLVZWMUZTMNN-UHFFFAOYSA-N 0 0 315.373 2.426 50 70 DEIARN O=C(NCC[C@@H](O)C1CCOCC1)c1nc2ccccc2s1 ZINC000217917624 201528241 /nfs/dbraw/zinc/52/82/41/201528241.db2.gz VIYRFYQDAJNMEF-CYBMUJFWSA-N 0 0 320.414 2.204 50 70 DEIARN Cn1cc([C@@H](NC(=O)C2CCCCCC2)C2CC(O)C2)cn1 ZINC000218580463 257273836 /nfs/dbraw/zinc/27/38/36/257273836.db2.gz UUJCZTISBDHQRH-BCLQGDPASA-N 0 0 305.422 2.319 50 70 DEIARN Cn1ccnc1SCCNC(=O)[C@H]1CCc2ccccc2C1 ZINC000216954339 402290627 /nfs/dbraw/zinc/29/06/27/402290627.db2.gz PXBHUWSZRDOFNG-HNNXBMFYSA-N 0 0 315.442 2.434 50 70 DEIARN Cc1cc(N)n(CC(=O)N2CCc3c(Cl)cccc3C2)n1 ZINC000217175059 402291210 /nfs/dbraw/zinc/29/12/10/402291210.db2.gz GQGRTXLVHKDYCS-UHFFFAOYSA-N 0 0 304.781 2.012 50 70 DEIARN COc1cccc(Cl)c1CC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000160768505 402359780 /nfs/dbraw/zinc/35/97/80/402359780.db2.gz FGQBEYPBGXEORU-MNOVXSKESA-N 0 0 324.808 2.051 50 70 DEIARN COCc1ccc([C@@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)o1 ZINC000161396984 402385898 /nfs/dbraw/zinc/38/58/98/402385898.db2.gz KCHHKXNKKQOOPT-AWEZNQCLSA-N 0 0 316.357 2.102 50 70 DEIARN COc1ccc(C(=O)NCCn2ccnc2-c2cccnc2)cc1 ZINC000217866334 539727205 /nfs/dbraw/zinc/72/72/05/539727205.db2.gz KRDWAQWRBNINAB-UHFFFAOYSA-N 0 0 322.368 2.384 50 70 DEIARN O=C(NCC[C@@H](O)C1CCOCC1)c1ccc(F)cc1Cl ZINC000217917430 539727230 /nfs/dbraw/zinc/72/72/30/539727230.db2.gz ZUASHCTYROASLI-CQSZACIVSA-N 0 0 315.772 2.387 50 70 DEIARN CC(C)CCc1cc(C(=O)N[C@H](CO)c2ccccc2)[nH]n1 ZINC000218345342 201536980 /nfs/dbraw/zinc/53/69/80/201536980.db2.gz DRLNFQCJSKPDDY-MRXNPFEDSA-N 0 0 301.390 2.462 50 70 DEIARN Cc1nnc([C@H]2CCCN(C(=O)Cn3ccc4ccccc43)C2)[nH]1 ZINC000218604129 257274259 /nfs/dbraw/zinc/27/42/59/257274259.db2.gz PIUFQAGOMGZJQL-HNNXBMFYSA-N 0 0 323.400 2.474 50 70 DEIARN Nc1nccc(C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)n1 ZINC000217482018 402292617 /nfs/dbraw/zinc/29/26/17/402292617.db2.gz FRFLRSSJGBPJPF-UHFFFAOYSA-N 0 0 318.327 2.357 50 70 DEIARN CCc1nccn1CCC(=O)N[C@@H](C)c1nnc(C(C)C)o1 ZINC000217539298 402292862 /nfs/dbraw/zinc/29/28/62/402292862.db2.gz ZAZIGQOPSWDYCQ-NSHDSACASA-N 0 0 305.382 2.219 50 70 DEIARN OCc1cc2n(n1)CCCN(Cc1nc3ccccc3s1)C2 ZINC000217699366 402293433 /nfs/dbraw/zinc/29/34/33/402293433.db2.gz YHWNNDRWWDWINM-UHFFFAOYSA-N 0 0 314.414 2.391 50 70 DEIARN CC(C)c1nnc(NC(=O)c2n[nH]c3c2COc2ccccc2-3)[nH]1 ZINC000218217774 402294960 /nfs/dbraw/zinc/29/49/60/402294960.db2.gz WOWZUTWMAGPWTJ-UHFFFAOYSA-N 0 0 324.344 2.463 50 70 DEIARN C[C@@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 ZINC000218330787 402295535 /nfs/dbraw/zinc/29/55/35/402295535.db2.gz CUTRYCIMAVPGLK-ZETCQYMHSA-N 0 0 314.172 2.494 50 70 DEIARN CC(=O)N1CC(Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)=CC1=O ZINC000218509477 402296289 /nfs/dbraw/zinc/29/62/89/402296289.db2.gz PDUZEAMGTKYIJY-UHFFFAOYSA-N 0 0 323.356 2.034 50 70 DEIARN O=C(NCC[C@H](O)C1CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000217918188 424885052 /nfs/dbraw/zinc/88/50/52/424885052.db2.gz ZSOUZRRJSITYJC-QBNKABOXSA-N 0 0 321.461 2.497 50 70 DEIARN Cc1cc(C(=O)NCCn2ccc(-c3ccsc3)n2)no1 ZINC000217887050 539727236 /nfs/dbraw/zinc/72/72/36/539727236.db2.gz WJHRJHHWIKJDLV-UHFFFAOYSA-N 0 0 302.359 2.338 50 70 DEIARN COc1cccc(C2(CNC(=O)[C@H]3CSCN3)CCCC2)c1 ZINC000159476299 197357141 /nfs/dbraw/zinc/35/71/41/197357141.db2.gz OSHZPOUHMPUJAS-OAHLLOKOSA-N 0 0 320.458 2.286 50 70 DEIARN NC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]3CCCC[C@H]32)cc1 ZINC000159463354 197355726 /nfs/dbraw/zinc/35/57/26/197355726.db2.gz VLAPPWUVDNEMMR-IUODEOHRSA-N 0 0 322.430 2.129 50 70 DEIARN O=C(NC[C@@H]1CCCN(c2ccccn2)C1)C(=O)c1ccccc1 ZINC000218578947 257274009 /nfs/dbraw/zinc/27/40/09/257274009.db2.gz SWFNIZPZDGRMDB-HNNXBMFYSA-N 0 0 323.396 2.297 50 70 DEIARN CC(C)Cc1cc(C(=O)N(C)[C@@H](C)c2ccncc2)[nH]c(=O)n1 ZINC000216957075 402290740 /nfs/dbraw/zinc/29/07/40/402290740.db2.gz RLXGYKYHIGTEQX-LBPRGKRZSA-N 0 0 314.389 2.197 50 70 DEIARN Cn1cc(CC(=O)NCCc2nc(C3CC3)no2)c2ccccc21 ZINC000217001773 402290774 /nfs/dbraw/zinc/29/07/74/402290774.db2.gz ZOQCWSHTYBGWDB-UHFFFAOYSA-N 0 0 324.384 2.340 50 70 DEIARN CN(C)[C@@H](C(=O)N1CCC(C)(CO)CC1)c1ccccc1F ZINC000217199498 402291096 /nfs/dbraw/zinc/29/10/96/402291096.db2.gz AUBBJZCJMWEIHV-OAHLLOKOSA-N 0 0 308.397 2.049 50 70 DEIARN CN(C)c1ccc(CC(=O)N2CC[C@@](O)(c3ccccc3)C2)cc1 ZINC000218089488 402294916 /nfs/dbraw/zinc/29/49/16/402294916.db2.gz 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/nfs/dbraw/zinc/29/34/44/402293444.db2.gz TVWOKUAJWAONPY-UHFFFAOYSA-N 0 0 311.307 2.199 50 70 DEIARN CCCc1cc(C(=O)N[C@H]2[C@@H](COC)[C@H]3OCC[C@@H]23)cs1 ZINC000218013963 402294170 /nfs/dbraw/zinc/29/41/70/402294170.db2.gz SDRVKTRUUVYNOE-YJNKXOJESA-N 0 0 309.431 2.480 50 70 DEIARN CCOc1ccc(CCCC(=O)NC[C@H]2COCCO2)cc1C ZINC000217978686 402294421 /nfs/dbraw/zinc/29/44/21/402294421.db2.gz BAYRDCYYXGGZAZ-INIZCTEOSA-N 0 0 321.417 2.248 50 70 DEIARN O=C(N[C@H]1CCOC2(CCOCC2)C1)c1cc(F)ccc1F ZINC000217032783 402290625 /nfs/dbraw/zinc/29/06/25/402290625.db2.gz OCUFYFQOKCUARC-LBPRGKRZSA-N 0 0 311.328 2.423 50 70 DEIARN CCOCCOc1ccccc1C(=O)N[C@H](C)c1nnc(C)[nH]1 ZINC000217523644 402292976 /nfs/dbraw/zinc/29/29/76/402292976.db2.gz HJPIXOGPDBZXGW-LLVKDONJSA-N 0 0 318.377 2.019 50 70 DEIARN CSc1ncc(C(=O)N(Cc2cccnc2)C2CC2)cn1 ZINC000218184842 402294928 /nfs/dbraw/zinc/29/49/28/402294928.db2.gz GCSJANPKOPHXAW-UHFFFAOYSA-N 0 0 300.387 2.398 50 70 DEIARN Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NC2CC2)n1 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CCc1csc(CNC(=O)c2ccc(N(C)CCO)cc2)n1 ZINC000217119222 201509402 /nfs/dbraw/zinc/50/94/02/201509402.db2.gz BIFYOQALOPYCTQ-UHFFFAOYSA-N 0 0 319.430 2.064 50 70 DEIARN Cc1nc(CNC(=O)[C@@H]2Cc3ccccc3O2)nc2c1CCCC2 ZINC000218510078 201540485 /nfs/dbraw/zinc/54/04/85/201540485.db2.gz MKMYOBXPOHNNQG-KRWDZBQOSA-N 0 0 323.396 2.284 50 70 DEIARN CN(Cc1cnccn1)C(=O)[C@H]1Cc2cc(Cl)ccc2N1 ZINC000216921144 402290332 /nfs/dbraw/zinc/29/03/32/402290332.db2.gz IPJQLDMZYXJKGQ-CQSZACIVSA-N 0 0 302.765 2.125 50 70 DEIARN COc1ccc(F)c(F)c1CN1CCn2nc([C@H](C)O)cc2C1 ZINC000216998520 402290537 /nfs/dbraw/zinc/29/05/37/402290537.db2.gz WLCRGLXJXIIPNH-JTQLQIEISA-N 0 0 323.343 2.239 50 70 DEIARN O=C(c1cnc2ccccc2c1)N1CCC2(CCC(=O)N2)CC1 ZINC000217000273 402290872 /nfs/dbraw/zinc/29/08/72/402290872.db2.gz NYNCVDOLITVCAE-UHFFFAOYSA-N 0 0 309.369 2.120 50 70 DEIARN CCn1c(CNC(=O)[C@H](C)Cn2cccn2)nc2ccccc21 ZINC000217207193 402291404 /nfs/dbraw/zinc/29/14/04/402291404.db2.gz UGKLDYIGIVKGEA-CYBMUJFWSA-N 0 0 311.389 2.205 50 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50 70 DEIARN Cc1occc(=O)c1OCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000218512184 402295938 /nfs/dbraw/zinc/29/59/38/402295938.db2.gz MMZZTFFRDMAZTC-ZDUSSCGKSA-N 0 0 315.369 2.465 50 70 DEIARN C[C@@H](CO)NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1Cl ZINC000218419840 402296207 /nfs/dbraw/zinc/29/62/07/402296207.db2.gz QKRRJQMHNFWMCS-ZETCQYMHSA-N 0 0 314.172 2.494 50 70 DEIARN Cc1cc(-c2cccs2)nn1CCNC(=O)[C@@H]1CCOC1 ZINC000217875261 539727073 /nfs/dbraw/zinc/72/70/73/539727073.db2.gz NBYNMYHXDJIMMM-GFCCVEGCSA-N 0 0 305.403 2.073 50 70 DEIARN O=C(NCCSC1CCOCC1)NCc1cccs1 ZINC000217708830 201522406 /nfs/dbraw/zinc/52/24/06/201522406.db2.gz IDWTZRYVGGCCDD-UHFFFAOYSA-N 0 0 300.449 2.460 50 70 DEIARN Cc1csc(CCCNC(=O)c2ccn(C(F)F)n2)n1 ZINC000218238456 201534711 /nfs/dbraw/zinc/53/47/11/201534711.db2.gz JSASUDZNUSOKRI-UHFFFAOYSA-N 0 0 300.334 2.406 50 70 DEIARN Cc1cc(C)nc(NCC(=O)NCCn2ccc3ccccc32)n1 ZINC000218411782 201539760 /nfs/dbraw/zinc/53/97/60/201539760.db2.gz KGEHNRABWVUKSA-UHFFFAOYSA-N 0 0 323.400 2.276 50 70 DEIARN Cc1cc(OC2CN(C(=O)Nc3ccccc3F)C2)cc(=O)o1 ZINC000217752843 402293578 /nfs/dbraw/zinc/29/35/78/402293578.db2.gz MPTYXOCMYBPUCJ-UHFFFAOYSA-N 0 0 318.304 2.382 50 70 DEIARN CCn1cc(-c2nc(C)nn2Cc2ccc3c(c2)OCO3)cn1 ZINC000217735038 402293610 /nfs/dbraw/zinc/29/36/10/402293610.db2.gz SQGGHRYOIZYSQC-UHFFFAOYSA-N 0 0 311.345 2.247 50 70 DEIARN COC(=O)C[C@H](c1cccnc1)c1cc2c(cc1O)OCO2 ZINC000218082795 402294213 /nfs/dbraw/zinc/29/42/13/402294213.db2.gz QONUDTFBDKZLDE-LLVKDONJSA-N 0 0 301.298 2.211 50 70 biogenic DEIARN COC(=O)C[C@@H](c1ccc(O)cc1)c1c([O-])cc(C)oc1=O ZINC000218108090 402294918 /nfs/dbraw/zinc/29/49/18/402294918.db2.gz CDYAPEISKFWCSO-LBPRGKRZSA-N 0 0 304.298 2.054 50 70 biogenic DEIARN O=C(COc1ccc2ccccc2c1)N1C[C@H]2CC[C@@H](C1)[C@H]2O ZINC000218262322 402295292 /nfs/dbraw/zinc/29/52/92/402295292.db2.gz DBFYQFJEMXFDEX-MNZLEMJZSA-N 0 0 311.381 2.448 50 70 DEIARN Cc1cc2nc(CCNC(=O)[C@H]3CCC[C@@H](O)C3)[nH]c2cc1C ZINC000218751839 402296654 /nfs/dbraw/zinc/29/66/54/402296654.db2.gz 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/nfs/dbraw/zinc/29/49/21/402294921.db2.gz RKXJLMYQVGCCEZ-UHFFFAOYSA-N 0 0 322.817 2.101 50 70 DEIARN CN(C[C@H]1Cc2ccccc2O1)C(=O)c1ccn(C(F)F)n1 ZINC000218503061 402295933 /nfs/dbraw/zinc/29/59/33/402295933.db2.gz DLPXXEDFJADGCQ-LLVKDONJSA-N 0 0 307.300 2.354 50 70 DEIARN Cn1cccc1[C@H](O)CCNC(=O)Cc1ccccc1Cl ZINC000217934099 424884989 /nfs/dbraw/zinc/88/49/89/424884989.db2.gz NFRPBOPSJBFPLK-OAHLLOKOSA-N 0 0 306.793 2.461 50 70 DEIARN O=C(c1ccc(-n2cccc2)cc1)N1CC[C@H](n2ccnn2)C1 ZINC000217687506 201522941 /nfs/dbraw/zinc/52/29/41/201522941.db2.gz FTEYRTWKKFYQFQ-INIZCTEOSA-N 0 0 307.357 2.156 50 70 DEIARN CN(Cc1cccc2ncccc12)C(=O)C(=O)c1cccnc1 ZINC000216983729 402290582 /nfs/dbraw/zinc/29/05/82/402290582.db2.gz QGIHIDQYMHKUOH-UHFFFAOYSA-N 0 0 305.337 2.471 50 70 DEIARN C[C@@](O)(CNC(=O)[C@H]1CCOC1)c1cc2ccccc2s1 ZINC000217508887 402292624 /nfs/dbraw/zinc/29/26/24/402292624.db2.gz MPTKQTSDHUZHNJ-BLLLJJGKSA-N 0 0 305.399 2.262 50 70 DEIARN CCc1nccn1CCC(=O)N[C@H](C)c1nnc(C(C)C)o1 ZINC000217539384 402292836 /nfs/dbraw/zinc/29/28/36/402292836.db2.gz ZAZIGQOPSWDYCQ-LLVKDONJSA-N 0 0 305.382 2.219 50 70 DEIARN O=C(c1ccccn1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217653652 402293297 /nfs/dbraw/zinc/29/32/97/402293297.db2.gz CATQHMHOCPRFLO-OAHLLOKOSA-N 0 0 319.368 2.427 50 70 DEIARN CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCCCc1ccccc1)C2 ZINC000217761343 402293429 /nfs/dbraw/zinc/29/34/29/402293429.db2.gz JEVJXPWAUJCLPK-SJORKVTESA-N 0 0 314.429 2.479 50 70 DEIARN CC(C)CCNc1nc(C(=O)NCCc2c[nH]cn2)cs1 ZINC000218145221 402294762 /nfs/dbraw/zinc/29/47/62/402294762.db2.gz XJEZFFAHSVEXJS-UHFFFAOYSA-N 0 0 307.423 2.297 50 70 DEIARN CC(C)Cc1cc(C(=O)NCCCC[C@H]2CCCO2)nc(N)n1 ZINC000218274796 402295446 /nfs/dbraw/zinc/29/54/46/402295446.db2.gz UZQKFCFOEQYPIJ-AWEZNQCLSA-N 0 0 320.437 2.336 50 70 DEIARN CN(C(=O)c1cccc(Oc2ccccc2)c1)[C@H]1COC[C@@H]1O ZINC000218295499 402295505 /nfs/dbraw/zinc/29/55/05/402295505.db2.gz MDQLXJMDZPMGLH-IRXDYDNUSA-N 0 0 313.353 2.311 50 70 DEIARN O=C(NCCc1nc2ccccc2o1)c1c[nH]c(=O)c(Cl)c1 ZINC000218409730 402296080 /nfs/dbraw/zinc/29/60/80/402296080.db2.gz QTTWQGCNHJUYDE-UHFFFAOYSA-N 0 0 317.732 2.142 50 70 DEIARN Cc1cc(N2CCC[C@H]2CN2CCOCC2)nc(C(C)C)n1 ZINC000160421165 402344903 /nfs/dbraw/zinc/34/49/03/402344903.db2.gz QQJLNCVDKQQZQW-HNNXBMFYSA-N 0 0 304.438 2.209 50 70 DEIARN CSc1ncccc1C(=O)NCCc1nc(C2CC2)no1 ZINC000217578372 201518406 /nfs/dbraw/zinc/51/84/06/201518406.db2.gz DSQKJBXDJPNIOI-UHFFFAOYSA-N 0 0 304.375 2.036 50 70 DEIARN O=C(Cc1ccc(F)c(F)c1)NC[C@@]1(O)CCc2ccccc21 ZINC000159428168 197353660 /nfs/dbraw/zinc/35/36/60/197353660.db2.gz QJHOHUJEKFOFAT-SFHVURJKSA-N 0 0 317.335 2.458 50 70 DEIARN CCc1nnc(CN(C)C(=O)CSc2nc(C)cs2)o1 ZINC000218575888 257273787 /nfs/dbraw/zinc/27/37/87/257273787.db2.gz VYMFHNIHYNNVJF-UHFFFAOYSA-N 0 0 312.420 2.148 50 70 DEIARN O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1cc(F)ccc1F ZINC000217032747 402290542 /nfs/dbraw/zinc/29/05/42/402290542.db2.gz OCUFYFQOKCUARC-GFCCVEGCSA-N 0 0 311.328 2.423 50 70 DEIARN Cc1cc(N)n(CC(=O)NCC2(c3ccccc3)CCCC2)n1 ZINC000217978952 402294340 /nfs/dbraw/zinc/29/43/40/402294340.db2.gz CJLQPMVBINUURA-UHFFFAOYSA-N 0 0 312.417 2.402 50 70 DEIARN Cn1cc([C@@H](NC(=O)CCc2ccsc2)[C@H]2C[C@H](O)C2)cn1 ZINC000218086086 402294403 /nfs/dbraw/zinc/29/44/03/402294403.db2.gz VFRVPQJTLASTBS-BJJXKVORSA-N 0 0 319.430 2.043 50 70 DEIARN Cc1cc(C(=O)N[C@H](c2nccn2C)c2ccccc2)nc(C)n1 ZINC000217971105 402294446 /nfs/dbraw/zinc/29/44/46/402294446.db2.gz ROSHLGAMOMLCHQ-INIZCTEOSA-N 0 0 321.384 2.346 50 70 DEIARN Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(Cl)cc1Cl ZINC000218338960 402295676 /nfs/dbraw/zinc/29/56/76/402295676.db2.gz VSZXINQCUFZWDV-VIFPVBQESA-N 0 0 314.172 2.326 50 70 DEIARN Cc1cc(C)n(CC2CC2)c(=O)c1C(=O)NCc1ccccn1 ZINC000218500298 402296064 /nfs/dbraw/zinc/29/60/64/402296064.db2.gz CPFLPXAEFDSSKY-UHFFFAOYSA-N 0 0 311.385 2.200 50 70 DEIARN Cc1nnc(CCNC(=O)[C@H]2CCc3ccccc3C2)s1 ZINC000218431249 402296302 /nfs/dbraw/zinc/29/63/02/402296302.db2.gz HAZIZCQPWREXJX-AWEZNQCLSA-N 0 0 301.415 2.310 50 70 DEIARN CCOc1ccc(NC(=O)NCC[C@@H](O)C2CCOCC2)cc1 ZINC000217929506 424885030 /nfs/dbraw/zinc/88/50/30/424885030.db2.gz LYIVQPDSVDFTKJ-MRXNPFEDSA-N 0 0 322.405 2.384 50 70 DEIARN CSc1ncccc1C(=O)N(C)CCCc1nccn1C ZINC000218567160 333394084 /nfs/dbraw/zinc/39/40/84/333394084.db2.gz NNLGJYHIQJSASX-UHFFFAOYSA-N 0 0 304.419 2.242 50 70 DEIARN Cn1ncc2c1ncn(CCCSCc1ccccc1)c2=O ZINC000159736497 527585539 /nfs/dbraw/zinc/58/55/39/527585539.db2.gz GFEFEBVVOMMGGH-UHFFFAOYSA-N 0 0 314.414 2.454 50 70 DEIARN COC(=O)c1ccc(C(=O)NCC[C@H](O)c2ccsc2)cc1 ZINC000217530034 201518305 /nfs/dbraw/zinc/51/83/05/201518305.db2.gz NFLBAONJUWAFEI-AWEZNQCLSA-N 0 0 319.382 2.388 50 70 DEIARN COCc1nc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)no1 ZINC000218440826 201538565 /nfs/dbraw/zinc/53/85/65/201538565.db2.gz SPZVDIWSSNTSJR-UHFFFAOYSA-N 0 0 320.736 2.281 50 70 DEIARN CC(C)Cc1nnc(NC(=O)c2cc(-c3ccncc3)[nH]n2)[nH]1 ZINC000218612453 257274124 /nfs/dbraw/zinc/27/41/24/257274124.db2.gz DWYUREODRHYGOK-UHFFFAOYSA-N 0 0 311.349 2.041 50 70 DEIARN CC[C@@H](NC(=O)c1c[nH]c(=O)cn1)c1nc2cc(C)ccc2[nH]1 ZINC000217773426 402293932 /nfs/dbraw/zinc/29/39/32/402293932.db2.gz VICWIRKFJVBIEZ-SNVBAGLBSA-N 0 0 311.345 2.248 50 70 DEIARN COc1ccc(C(=O)NCC[C@@H](O)c2cccn2C)cc1F ZINC000217939224 402294088 /nfs/dbraw/zinc/29/40/88/402294088.db2.gz SFAZAVYQWFADIB-CQSZACIVSA-N 0 0 306.337 2.026 50 70 DEIARN O=C1c2ccccc2[C@@H]2N1c1ccccc1C(=O)N2CCCO ZINC000217971244 402294284 /nfs/dbraw/zinc/29/42/84/402294284.db2.gz UIAYVPVWXXVEGZ-INIZCTEOSA-N 0 0 308.337 2.184 50 70 biogenic DEIARN O=C(NCCc1c[nH]cn1)c1cnc2ccc(Cl)cc2c1O ZINC000218161655 402295054 /nfs/dbraw/zinc/29/50/54/402295054.db2.gz JYLGYYYIYUZHKL-UHFFFAOYSA-N 0 0 316.748 2.289 50 70 DEIARN O=C(CCCOc1ccccc1)NCc1cnn2cccnc12 ZINC000218668299 402296259 /nfs/dbraw/zinc/29/62/59/402296259.db2.gz FKQHFVAHAQYUSN-UHFFFAOYSA-N 0 0 310.357 2.205 50 70 DEIARN CC(=O)N1CC(Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)=CC1=O ZINC000218567359 333394089 /nfs/dbraw/zinc/39/40/89/333394089.db2.gz UTEAQUIMIQAVJQ-UHFFFAOYSA-N 0 0 323.356 2.034 50 70 DEIARN O=C(Nc1ccnn1C[C@H]1CCOC1)N1Cc2ccccc2C1 ZINC000159867975 337383437 /nfs/dbraw/zinc/38/34/37/337383437.db2.gz JUPKAUHAAKEWHY-CYBMUJFWSA-N 0 0 312.373 2.467 50 70 DEIARN CSc1ncccc1C(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000217055494 201508382 /nfs/dbraw/zinc/50/83/82/201508382.db2.gz ZMZYVEDIYZADOU-LBPRGKRZSA-N 0 0 322.430 2.262 50 70 DEIARN Cc1nc(-n2cccc2)sc1C(=O)Nc1n[nH]c(C2CC2)n1 ZINC000218242191 201535775 /nfs/dbraw/zinc/53/57/75/201535775.db2.gz PXKRFPCJICJQMF-UHFFFAOYSA-N 0 0 314.374 2.490 50 70 DEIARN Cc1c(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)c2cc(O)ccc2n1C ZINC000218604969 257274198 /nfs/dbraw/zinc/27/41/98/257274198.db2.gz RAZMVUBEEXWNGE-ZLDLUXBVSA-N 0 0 300.358 2.100 50 70 DEIARN Cc1cc(C(=O)N2CCOc3ccc(CO)cc3C2)c(C)o1 ZINC000217340572 402291878 /nfs/dbraw/zinc/29/18/78/402291878.db2.gz QJVLELJHJFOYGS-UHFFFAOYSA-N 0 0 301.342 2.424 50 70 DEIARN CCCc1nnc(N2CCCn3nc([C@@H](C)O)cc3C2)s1 ZINC000217637320 402293175 /nfs/dbraw/zinc/29/31/75/402293175.db2.gz BIIUWYYFWXEGJW-SNVBAGLBSA-N 0 0 307.423 2.151 50 70 DEIARN COC(=O)C[C@H](c1ccncc1)c1cc2c(cc1O)OCO2 ZINC000218088272 402294693 /nfs/dbraw/zinc/29/46/93/402294693.db2.gz QKKAVASZXLXXQU-LLVKDONJSA-N 0 0 301.298 2.211 50 70 biogenic DEIARN CCc1ccc(CN2CCCn3nc([C@H](C)O)cc3C2)nc1 ZINC000218458014 402295914 /nfs/dbraw/zinc/29/59/14/402295914.db2.gz VHSVQZVPLHVUQO-ZDUSSCGKSA-N 0 0 300.406 2.300 50 70 DEIARN Cc1n[nH]c(C)c1CCNC(=O)CN(C)Cc1ccc(C)cc1 ZINC000218447643 402296003 /nfs/dbraw/zinc/29/60/03/402296003.db2.gz QQZWDHYSTUFHIZ-UHFFFAOYSA-N 0 0 314.433 2.126 50 70 DEIARN O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)C1CCCC1 ZINC000218222472 201535232 /nfs/dbraw/zinc/53/52/32/201535232.db2.gz ZETVKVZXQNYYLX-ZIAGYGMSSA-N 0 0 310.419 2.124 50 70 DEIARN CC(C)=CCC/C(C)=C/CN1CCn2nc([C@@H](O)CO)cc2C1 ZINC000217335340 402291842 /nfs/dbraw/zinc/29/18/42/402291842.db2.gz DCTMTWUKBJTQNH-APSGNOSNSA-N 0 0 319.449 2.417 50 70 DEIARN CC(C)[C@@H](CO)NC(=O)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000217668105 402293564 /nfs/dbraw/zinc/29/35/64/402293564.db2.gz QZTUTERZLDLVGO-OAHLLOKOSA-N 0 0 305.418 2.466 50 70 biogenic DEIARN Cc1nc2ccccc2c(N2CCCn3nc(CO)cc3C2)n1 ZINC000217648351 402293635 /nfs/dbraw/zinc/29/36/35/402293635.db2.gz CAWQFCNMJTWZJZ-UHFFFAOYSA-N 0 0 309.373 2.037 50 70 DEIARN CC(=O)c1[nH]c(C)c(C(=O)NCCSc2nccn2C)c1C ZINC000217806788 402293937 /nfs/dbraw/zinc/29/39/37/402293937.db2.gz PWSPELRBGUODAZ-UHFFFAOYSA-N 0 0 320.418 2.090 50 70 DEIARN Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1C[C@@H]2OCC[C@H]12 ZINC000217987120 402294465 /nfs/dbraw/zinc/29/44/65/402294465.db2.gz AJYLVAXDXWTNIN-USWWRNFRSA-N 0 0 301.795 2.104 50 70 DEIARN O=c1c(=O)c(N2CCSCC2)c1NCc1ccc(Cl)cc1 ZINC000218120145 402295056 /nfs/dbraw/zinc/29/50/56/402295056.db2.gz QLIARJRNFAFEBI-UHFFFAOYSA-N 0 0 322.817 2.101 50 70 DEIARN Cc1nnsc1C(=O)NCCn1ccc(-c2ccsc2)n1 ZINC000217886282 539727171 /nfs/dbraw/zinc/72/71/71/539727171.db2.gz VVLUBCBFRZSTIS-UHFFFAOYSA-N 0 0 319.415 2.202 50 70 DEIARN CCCCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N(C)Cc1ccon1 ZINC000217502017 282821783 /nfs/dbraw/zinc/82/17/83/282821783.db2.gz LXUWZKOKFKWGRL-CABCVRRESA-N 0 0 319.405 2.132 50 70 DEIARN C[C@H](NC(=O)c1cccc(OC(F)F)c1)c1nnc(N)s1 ZINC000218256805 201534540 /nfs/dbraw/zinc/53/45/40/201534540.db2.gz SEYCBWSIJKEJKU-LURJTMIESA-N 0 0 314.317 2.213 50 70 DEIARN O=C(Cc1ccsc1)N[C@H]1CCOC[C@H]1C1CCOCC1 ZINC000218069835 201531769 /nfs/dbraw/zinc/53/17/69/201531769.db2.gz ISXHVCGYJSYEJJ-GJZGRUSLSA-N 0 0 309.431 2.239 50 70 DEIARN COc1nn(C)cc1C(=O)NC[C@H](OC)c1ccccc1Cl ZINC000218312855 201536838 /nfs/dbraw/zinc/53/68/38/201536838.db2.gz LVIPOXWYGZQBBR-ZDUSSCGKSA-N 0 0 323.780 2.200 50 70 DEIARN Cn1cc([C@H](NC(=O)c2ccc(Cl)cc2)C2CC(O)C2)cn1 ZINC000218408581 201539082 /nfs/dbraw/zinc/53/90/82/201539082.db2.gz WSTBFHTUECLSQH-WDIPEOLASA-N 0 0 319.792 2.316 50 70 DEIARN CNC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000160895545 197447774 /nfs/dbraw/zinc/44/77/74/197447774.db2.gz XBVPXGRZBJQLNG-UHFFFAOYSA-N 0 0 312.057 2.321 50 70 DEIARN CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)Sc2ccncc2)C1 ZINC000159944274 197376145 /nfs/dbraw/zinc/37/61/45/197376145.db2.gz XBOLZPQZKDJTII-STQMWFEESA-N 0 0 322.430 2.364 50 70 DEIARN CSCC[C@H](O)C(=O)NCCc1c(C)[nH]c2ccccc21 ZINC000217205362 402291294 /nfs/dbraw/zinc/29/12/94/402291294.db2.gz ZVWDJJDOYORMBH-HNNXBMFYSA-N 0 0 306.431 2.249 50 70 DEIARN Cc1ccc(C(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)c(F)c1 ZINC000218022340 402294191 /nfs/dbraw/zinc/29/41/91/402294191.db2.gz AVYJKZLMIVHGCY-IJGSQOGDSA-N 0 0 317.364 2.110 50 70 DEIARN Cc1ccccc1SCC(=O)N1C[C@H]2CC[C@@H](C1)N(C)C2=O ZINC000218018743 402294440 /nfs/dbraw/zinc/29/44/40/402294440.db2.gz CZPLKZFHXMCYDT-KGLIPLIRSA-N 0 0 318.442 2.166 50 70 DEIARN CC[C@@H](C)[C@@H](CO)NC(=O)Cc1csc(-c2ccccn2)n1 ZINC000218162332 402294812 /nfs/dbraw/zinc/29/48/12/402294812.db2.gz QONILLWPJCCFII-BXUZGUMPSA-N 0 0 319.430 2.271 50 70 DEIARN CC(=O)c1ccc2c(c1O)[C@H](c1cnn3cccnc13)CC(=O)O2 ZINC000218259208 277114385 /nfs/dbraw/zinc/11/43/85/277114385.db2.gz JJBIKUGZXVPUMO-NSHDSACASA-N 0 0 323.308 2.079 50 70 DEIARN O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1cscn1 ZINC000218170745 402294783 /nfs/dbraw/zinc/29/47/83/402294783.db2.gz PZPVEJZNCHAXKD-HIFRSBDPSA-N 0 0 318.398 2.247 50 70 DEIARN CCCn1nc(C)c(CNC(=O)c2ccc3n[nH]nc3c2)c1C ZINC000218100256 402294838 /nfs/dbraw/zinc/29/48/38/402294838.db2.gz UFCJDCQFOMKQDV-UHFFFAOYSA-N 0 0 312.377 2.111 50 70 DEIARN COC(=O)[C@@H](C)NC(=O)c1cc(-c2cccc(Cl)c2)nn1C ZINC000218392736 402295887 /nfs/dbraw/zinc/29/58/87/402295887.db2.gz FHLHLPMJCBSLML-SECBINFHSA-N 0 0 321.764 2.032 50 70 DEIARN CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1ccn(C(F)F)n1 ZINC000218502981 402296283 /nfs/dbraw/zinc/29/62/83/402296283.db2.gz DLPXXEDFJADGCQ-NSHDSACASA-N 0 0 307.300 2.354 50 70 DEIARN Cc1cc(C[C@H](C)NC(=O)Nc2ccc([S@@](C)=O)cc2)[nH]n1 ZINC000161127250 402374082 /nfs/dbraw/zinc/37/40/82/402374082.db2.gz UUJRIHOCDCRHGX-MGUXCZDKSA-N 0 0 320.418 2.208 50 70 DEIARN Cc1nnc([C@@H]2CCCN(C(=O)Cn3ccc4ccccc43)C2)[nH]1 ZINC000218604045 257274066 /nfs/dbraw/zinc/27/40/66/257274066.db2.gz PIUFQAGOMGZJQL-OAHLLOKOSA-N 0 0 323.400 2.474 50 70 DEIARN Cc1cc2c(c(=O)o1)[C@H](c1cc3ccccc3[nH]c1=O)CC(=O)O2 ZINC000218043178 292000997 /nfs/dbraw/zinc/00/09/97/292000997.db2.gz PNAWDWDRVROPTK-NSHDSACASA-N 0 0 323.304 2.231 50 70 biogenic DEIARN CSc1ccc(CC(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)cc1 ZINC000217004994 402290755 /nfs/dbraw/zinc/29/07/55/402290755.db2.gz GJGDDIVVRAESDS-INIZCTEOSA-N 0 0 320.414 2.004 50 70 DEIARN CC[C@H](C(=O)N1CC(N2C(=O)CSC2=O)C1)c1ccccc1 ZINC000217743357 402293462 /nfs/dbraw/zinc/29/34/62/402293462.db2.gz JYNVUXHDUMCFAV-ZDUSSCGKSA-N 0 0 318.398 2.086 50 70 DEIARN Cn1ccnc1[C@@H](O)C1CCN(C(=O)CCC(F)(F)F)CC1 ZINC000218382232 402295689 /nfs/dbraw/zinc/29/56/89/402295689.db2.gz PMOMXYBWDUJRAM-LBPRGKRZSA-N 0 0 319.327 2.035 50 70 DEIARN CC1=CC[C@@H]2CN(C(=O)CSc3nnc(N)s3)C[C@@H]2C1 ZINC000218651324 402296133 /nfs/dbraw/zinc/29/61/33/402296133.db2.gz ZDWZZLXJVXOMFO-ZJUUUORDSA-N 0 0 310.448 2.027 50 70 DEIARN Cc1cc(C)n(CC2CC2)c(=O)c1C(=O)NCc1cccnc1 ZINC000218599903 337383660 /nfs/dbraw/zinc/38/36/60/337383660.db2.gz NQKZGHDLNJCHGI-UHFFFAOYSA-N 0 0 311.385 2.200 50 70 DEIARN CSCCC(=O)N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1 ZINC000218289389 201535095 /nfs/dbraw/zinc/53/50/95/201535095.db2.gz HWWYNZFQXYRPGR-ZIAGYGMSSA-N 0 0 313.394 2.231 50 70 DEIARN Cc1ccc(Cc2nc(C(=O)Nc3ncnn3C)cs2)cc1 ZINC000160216367 197393177 /nfs/dbraw/zinc/39/31/77/197393177.db2.gz FEXJINFPVXBUEL-UHFFFAOYSA-N 0 0 313.386 2.423 50 70 DEIARN Cn1cnc(S(=O)(=O)N2CCC[C@H]3CCCC[C@H]32)c1Cl ZINC000159463782 197356075 /nfs/dbraw/zinc/35/60/75/197356075.db2.gz GDCMDIKBZIDEAG-GHMZBOCLSA-N 0 0 317.842 2.417 50 70 DEIARN O=C(NCc1cnc2cnccn12)c1ccc(N2CCCC2)cc1 ZINC000217510883 402292601 /nfs/dbraw/zinc/29/26/01/402292601.db2.gz SZXXLTOQXNQHRG-UHFFFAOYSA-N 0 0 321.384 2.260 50 70 DEIARN COCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000217981361 402294392 /nfs/dbraw/zinc/29/43/92/402294392.db2.gz IUYOZVJDDLSNPM-INIZCTEOSA-N 0 0 308.337 2.448 50 70 biogenic DEIARN Cc1cc(C)n(CCCC(=O)NCCc2scnc2C)n1 ZINC000218319992 402295337 /nfs/dbraw/zinc/29/53/37/402295337.db2.gz CPXHYFMLVVERQX-UHFFFAOYSA-N 0 0 306.435 2.404 50 70 DEIARN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@@H]1CSCN1 ZINC000161055911 402370930 /nfs/dbraw/zinc/37/09/30/402370930.db2.gz DEBNNHRYGNWJAZ-ICCXJUOJSA-N 0 0 314.838 2.195 50 70 DEIARN Cc1cn2nc(C(=O)N[C@@H]3CCCc4ccccc43)cc2c(=O)[nH]1 ZINC000217474020 292863280 /nfs/dbraw/zinc/86/32/80/292863280.db2.gz ZVEUIEZUZSEDIE-CQSZACIVSA-N 0 0 322.368 2.138 50 70 DEIARN CC1(C)OC(=O)C[C@@H]1C(=O)NCCn1ccc2ccccc21 ZINC000218561732 333394062 /nfs/dbraw/zinc/39/40/62/333394062.db2.gz KXCOLIBFPIDAHQ-CYBMUJFWSA-N 0 0 300.358 2.099 50 70 DEIARN C[C@](O)(CNC(=O)[C@H]1CCOC1)c1cc2ccccc2s1 ZINC000217508961 201517957 /nfs/dbraw/zinc/51/79/57/201517957.db2.gz MPTKQTSDHUZHNJ-LRDDRELGSA-N 0 0 305.399 2.262 50 70 DEIARN Cc1nc(CC(C)C)cc(C(=O)N(C)CC2CCOCC2)n1 ZINC000217944131 201528076 /nfs/dbraw/zinc/52/80/76/201528076.db2.gz BXJJZCRNDWDDBP-UHFFFAOYSA-N 0 0 305.422 2.482 50 70 DEIARN CCOCC(=O)N(Cc1ccco1)Cc1nn(C)c2c1CCC2 ZINC000217902594 201528690 /nfs/dbraw/zinc/52/86/90/201528690.db2.gz CCBZWJDKBINALR-UHFFFAOYSA-N 0 0 317.389 2.067 50 70 DEIARN COc1ccc(C(=O)NCC[C@H](O)c2cccn2C)cc1F ZINC000217939321 201528900 /nfs/dbraw/zinc/52/89/00/201528900.db2.gz SFAZAVYQWFADIB-AWEZNQCLSA-N 0 0 306.337 2.026 50 70 DEIARN COc1cn(CC(=O)NC2CCCCCCC2)c(C)cc1=O ZINC000218261334 201534939 /nfs/dbraw/zinc/53/49/39/201534939.db2.gz ISWUZWXXPWCYSO-UHFFFAOYSA-N 0 0 306.406 2.394 50 70 DEIARN COc1cccc(C2(CNC(=O)[C@@H]3CSCN3)CCCC2)c1 ZINC000159476168 197356689 /nfs/dbraw/zinc/35/66/89/197356689.db2.gz OSHZPOUHMPUJAS-HNNXBMFYSA-N 0 0 320.458 2.286 50 70 DEIARN CC1(C)OC(=O)C[C@H]1C(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000218600010 257274046 /nfs/dbraw/zinc/27/40/46/257274046.db2.gz OUIZKIGBJBJYCU-ZDUSSCGKSA-N 0 0 318.348 2.307 50 70 DEIARN O=C(COCC(F)(F)C(F)F)NC1Cc2ccccc2C1 ZINC000217169969 402291193 /nfs/dbraw/zinc/29/11/93/402291193.db2.gz MDVLWZDGIVQLHS-UHFFFAOYSA-N 0 0 305.271 2.187 50 70 DEIARN CCOCC(=O)N[C@@H](C)c1cnn(-c2cccc(OC)c2)c1 ZINC000218468167 402296291 /nfs/dbraw/zinc/29/62/91/402296291.db2.gz SMHYQOQIBCXLBX-LBPRGKRZSA-N 0 0 303.362 2.095 50 70 DEIARN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@@H]1CSCN1 ZINC000161055778 402370713 /nfs/dbraw/zinc/37/07/13/402370713.db2.gz DEBNNHRYGNWJAZ-XDTLVQLUSA-N 0 0 314.838 2.195 50 70 DEIARN O=C(CCn1cncn1)N1CC=C(c2ccccc2F)CC1 ZINC000159726046 355962150 /nfs/dbraw/zinc/96/21/50/355962150.db2.gz IBPVHHGQMGEBQS-UHFFFAOYSA-N 0 0 300.337 2.123 50 70 DEIARN C[N@H+](CCN1CCO[C@H]([C@@H]2CCCO2)C1)Cc1ccc(F)cc1 ZINC000160128397 355964129 /nfs/dbraw/zinc/96/41/29/355964129.db2.gz UKVAQJNZHUUGGS-ROUUACIJSA-N 0 0 322.424 2.137 50 70 DEIARN CSc1nc(C(=O)N(C)[C@H](C)Cc2cnccn2)cs1 ZINC000218508975 201540670 /nfs/dbraw/zinc/54/06/70/201540670.db2.gz WHTHXZSYFKFAOJ-SECBINFHSA-N 0 0 308.432 2.358 50 70 DEIARN CC[C@@H](C(=O)N1CC(N2C(=O)CSC2=O)C1)c1ccccc1 ZINC000217743433 402293293 /nfs/dbraw/zinc/29/32/93/402293293.db2.gz JYNVUXHDUMCFAV-CYBMUJFWSA-N 0 0 318.398 2.086 50 70 DEIARN Cn1ccnc1CCNC(=O)c1ccc(N2CCCCC2)cc1 ZINC000217987534 402294433 /nfs/dbraw/zinc/29/44/33/402294433.db2.gz HYXOKTXINRWMFX-UHFFFAOYSA-N 0 0 312.417 2.383 50 70 DEIARN CC[C@H](NC(=O)CSc1ccccn1)c1ncnn1CC ZINC000218165362 402295028 /nfs/dbraw/zinc/29/50/28/402295028.db2.gz HPNVAJVBLKMFSC-NSHDSACASA-N 0 0 305.407 2.053 50 70 DEIARN CC(C)(O)[C@@H]1CCN(C(=O)COc2ccc(F)c(Cl)c2)C1 ZINC000218284237 402295376 /nfs/dbraw/zinc/29/53/76/402295376.db2.gz FTVWLSNCAIKXMT-SNVBAGLBSA-N 0 0 315.772 2.477 50 70 DEIARN C[C@@H](NC(=O)c1cccc(OC(F)F)c1)c1nnc(N)s1 ZINC000218256754 402295691 /nfs/dbraw/zinc/29/56/91/402295691.db2.gz SEYCBWSIJKEJKU-ZCFIWIBFSA-N 0 0 314.317 2.213 50 70 DEIARN O=C(N[C@H](c1cnc2ccccc2c1)C1CC(O)C1)c1ccon1 ZINC000218501220 402296074 /nfs/dbraw/zinc/29/60/74/402296074.db2.gz TTYOHCRTKJKDHX-AJUCZRQESA-N 0 0 323.352 2.465 50 70 DEIARN CCSCC(=O)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1 ZINC000218693554 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539726597 /nfs/dbraw/zinc/72/65/97/539726597.db2.gz VIYRFYQDAJNMEF-ZDUSSCGKSA-N 0 0 320.414 2.204 50 70 DEIARN CC(C)Cc1cc(C(=O)N[C@H](C)Cc2cccnc2)nc(N)n1 ZINC000217358524 201515085 /nfs/dbraw/zinc/51/50/85/201515085.db2.gz VCQQKQCCJUYDLC-GFCCVEGCSA-N 0 0 313.405 2.013 50 70 DEIARN CO[C@H]1[C@@H]2CC[C@H]1CN(C(=O)CCc1nc3ccccc3[nH]1)C2 ZINC000217454156 201516983 /nfs/dbraw/zinc/51/69/83/201516983.db2.gz HYEOENCYURFDDY-MCBXIFIFSA-N 0 0 313.401 2.379 50 70 DEIARN Cc1cc(C)c2c(c1)[nH]cc(C(=O)NCCc1c[nH]cn1)c2=O ZINC000218391338 201539054 /nfs/dbraw/zinc/53/90/54/201539054.db2.gz VASLNZSMSBMOIC-UHFFFAOYSA-N 0 0 310.357 2.253 50 70 DEIARN Cc1ccc([C@@H](C(=O)N(C)CCc2cnn(C)c2)N(C)C)cc1 ZINC000217178895 402291500 /nfs/dbraw/zinc/29/15/00/402291500.db2.gz SUPICLFQEYUECC-KRWDZBQOSA-N 0 0 314.433 2.032 50 70 DEIARN CCNc1nc(C)c(C(=O)N[C@@H](CC)Cn2ccnc2)s1 ZINC000217731151 402293367 /nfs/dbraw/zinc/29/33/67/402293367.db2.gz PUWWOWLWKVXBCJ-NSHDSACASA-N 0 0 307.423 2.288 50 70 DEIARN Cc1cc(C(=O)N2CC[C@H](n3cc(-c4ccccc4)nn3)C2)no1 ZINC000217653864 402293488 /nfs/dbraw/zinc/29/34/88/402293488.db2.gz DKULVZNVNFHAEZ-AWEZNQCLSA-N 0 0 323.356 2.329 50 70 DEIARN O=C(NCc1cc(-c2ccccn2)no1)c1ccc2c(c1)OCO2 ZINC000218025189 402294220 /nfs/dbraw/zinc/29/42/20/402294220.db2.gz DYXNGYPFMBPTDA-UHFFFAOYSA-N 0 0 323.308 2.395 50 70 DEIARN Cc1cc(C(F)(F)F)nc(CCNC(=O)Cc2cccnc2)n1 ZINC000218371411 402295575 /nfs/dbraw/zinc/29/55/75/402295575.db2.gz OMIDEGYJVYUMLX-UHFFFAOYSA-N 0 0 324.306 2.100 50 70 DEIARN COc1ccc(CCC(=O)NCc2snnc2C)cc1OC ZINC000218483027 402295884 /nfs/dbraw/zinc/29/58/84/402295884.db2.gz IGZYACQSSHKEQB-UHFFFAOYSA-N 0 0 321.402 2.113 50 70 DEIARN NC(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 ZINC000160742589 402359237 /nfs/dbraw/zinc/35/92/37/402359237.db2.gz RJLOQWICPNQWNE-UHFFFAOYSA-N 0 0 300.240 2.321 50 70 DEIARN CC[C@H](C(=O)NCC[C@H](O)C1CCOCC1)c1ccccc1 ZINC000217916028 539726746 /nfs/dbraw/zinc/72/67/46/539726746.db2.gz NTSDBTFPDBJIEE-IRXDYDNUSA-N 0 0 305.418 2.474 50 70 DEIARN Cc1cc(C[C@@H](C)NC(=O)Nc2cnc(C3CC3)nc2)[nH]n1 ZINC000159589321 355962006 /nfs/dbraw/zinc/96/20/06/355962006.db2.gz CQCSJPFVGPQKOU-SECBINFHSA-N 0 0 300.366 2.138 50 70 DEIARN O=C(Cc1ccc(F)c(F)c1)NC[C@]1(O)CCc2ccccc21 ZINC000159428295 197353719 /nfs/dbraw/zinc/35/37/19/197353719.db2.gz QJHOHUJEKFOFAT-GOSISDBHSA-N 0 0 317.335 2.458 50 70 DEIARN OCc1cc2n(n1)CCCN(Cc1ccnc3ccccc13)C2 ZINC000216993180 402290555 /nfs/dbraw/zinc/29/05/55/402290555.db2.gz HFCDYCBBSPEWMI-UHFFFAOYSA-N 0 0 308.385 2.330 50 70 DEIARN Cc1cc(C(=O)NCCc2noc(C(F)(F)F)n2)c(C)o1 ZINC000217453453 402292359 /nfs/dbraw/zinc/29/23/59/402292359.db2.gz AGPVGPXKPQJCBX-UHFFFAOYSA-N 0 0 303.240 2.271 50 70 DEIARN Cc1noc(C)c1CN(C)C(=O)CC1=CSC2=NCCCN12 ZINC000218018988 402294271 /nfs/dbraw/zinc/29/42/71/402294271.db2.gz HXQZQGCKLHWFTK-UHFFFAOYSA-N 0 0 320.418 2.290 50 70 DEIARN CCOCCOc1ccccc1C(=O)N(C)Cc1nc(C)c[nH]1 ZINC000217977329 402294347 /nfs/dbraw/zinc/29/43/47/402294347.db2.gz IJYFKWATWIYZOQ-UHFFFAOYSA-N 0 0 317.389 2.406 50 70 DEIARN Cn1cc(CN(C(=O)CSc2ccncc2)C2CC2)cn1 ZINC000218382412 402295504 /nfs/dbraw/zinc/29/55/04/402295504.db2.gz DCJQIIPTECLDPW-UHFFFAOYSA-N 0 0 302.403 2.098 50 70 DEIARN Cc1cc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)c(C)o1 ZINC000218669099 402296181 /nfs/dbraw/zinc/29/61/81/402296181.db2.gz NTQKWSBSRQCJOO-HUUCEWRRSA-N 0 0 316.357 2.258 50 70 DEIARN COC[C@H](O)CCNC(=O)CCCc1c[nH]c2ccccc12 ZINC000161364132 402384535 /nfs/dbraw/zinc/38/45/35/402384535.db2.gz GCKILFWEWRALPX-CQSZACIVSA-N 0 0 304.390 2.004 50 70 DEIARN C[C@@H](CC1CC1)NC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000160186199 197392157 /nfs/dbraw/zinc/39/21/57/197392157.db2.gz QYVFYWUIPDTALS-AWEZNQCLSA-N 0 0 302.422 2.097 50 70 DEIARN Cn1cc(CC(=O)N2CCC(n3cnnc3)CC2)c2ccccc21 ZINC000217014498 402290717 /nfs/dbraw/zinc/29/07/17/402290717.db2.gz DYRUHQOGGZPFJZ-UHFFFAOYSA-N 0 0 323.400 2.176 50 70 DEIARN CC[C@@H](C)[C@@H](CO)NC(=O)c1cc2c([nH]1)c(OC)ccc2OC ZINC000217734957 402293446 /nfs/dbraw/zinc/29/34/46/402293446.db2.gz NNSXLDBLULEPIJ-ZWNOBZJWSA-N 0 0 320.389 2.322 50 70 biogenic DEIARN O=C(N[C@H]1COc2ccccc2C1)c1scc2c1OCCO2 ZINC000217692755 402293522 /nfs/dbraw/zinc/29/35/22/402293522.db2.gz QVPYBHMUSMYJNE-LLVKDONJSA-N 0 0 317.366 2.253 50 70 DEIARN Cc1c(C(=O)N2CCc3oncc3C2)cnn1-c1ccccc1 ZINC000217693538 402293550 /nfs/dbraw/zinc/29/35/50/402293550.db2.gz QTIRKXLZNIAJMZ-UHFFFAOYSA-N 0 0 308.341 2.367 50 70 DEIARN O=C(CCCc1cccs1)N1CCCn2nc(CO)cc2C1 ZINC000217797085 402293907 /nfs/dbraw/zinc/29/39/07/402293907.db2.gz CCXWKXNPCALHEJ-UHFFFAOYSA-N 0 0 319.430 2.192 50 70 DEIARN Cc1nc([C@H](C)NC(=O)c2cc(C(C)C)nc(N)n2)cs1 ZINC000217802215 402293922 /nfs/dbraw/zinc/29/39/22/402293922.db2.gz JCQUMKPKNFTOFB-QMMMGPOBSA-N 0 0 305.407 2.438 50 70 DEIARN COC(=O)c1ccc([C@@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc1 ZINC000218072000 402294381 /nfs/dbraw/zinc/29/43/81/402294381.db2.gz BGXBFDAUOCBEMY-LBPRGKRZSA-N 0 0 314.293 2.176 50 70 biogenic DEIARN CC[C@@H]1[C@@H](NC(=O)Cc2ccc3[nH]c(C)nc3c2)[C@@H]2CCO[C@H]12 ZINC000218157075 402294671 /nfs/dbraw/zinc/29/46/71/402294671.db2.gz GGYYZNDBLYMNIC-JGTCGTHISA-N 0 0 313.401 2.344 50 70 DEIARN CCCn1cc(CNC(=O)c2ccc(SCCO)cc2)cn1 ZINC000218185932 402294697 /nfs/dbraw/zinc/29/46/97/402294697.db2.gz PWGJPLVZVIBFNR-UHFFFAOYSA-N 0 0 319.430 2.308 50 70 DEIARN O=C(N[C@@H]1C=CCCC1)N1CCN(Cc2ccccn2)CC1 ZINC000160703164 402357272 /nfs/dbraw/zinc/35/72/72/402357272.db2.gz IMBIEJGTYFDATQ-OAHLLOKOSA-N 0 0 300.406 2.018 50 70 DEIARN CCOc1cc(NC2CCN(C(=O)c3ccoc3)CC2)ncn1 ZINC000161113163 402373604 /nfs/dbraw/zinc/37/36/04/402373604.db2.gz CBALWLGRXXTEMI-UHFFFAOYSA-N 0 0 316.361 2.185 50 70 DEIARN COc1ccc([C@@H]2CC(=O)Oc3cc(C)oc(=O)c32)c(OC)c1 ZINC000217957374 295218393 /nfs/dbraw/zinc/21/83/93/295218393.db2.gz LVPNNKZKVQLQSV-LBPRGKRZSA-N 0 0 316.309 2.406 50 70 biogenic DEIARN Cn1cc(C(=O)NCc2cnn3cccnc23)c2ccccc21 ZINC000217910745 539726711 /nfs/dbraw/zinc/72/67/11/539726711.db2.gz HPYCKRXOXAJLQK-UHFFFAOYSA-N 0 0 305.341 2.151 50 70 DEIARN CCOCC(=O)N(Cc1cc(C2CC2)n(C)n1)Cc1ccco1 ZINC000217894513 539726972 /nfs/dbraw/zinc/72/69/72/539726972.db2.gz RCOORNYJNHJLTC-UHFFFAOYSA-N 0 0 317.389 2.456 50 70 DEIARN CCn1ccc2cc(CN3Cc4cnn(CCO)c4C3)ccc21 ZINC000216935218 402290619 /nfs/dbraw/zinc/29/06/19/402290619.db2.gz UDDUFZQGJJBNRK-UHFFFAOYSA-N 0 0 310.401 2.366 50 70 DEIARN COc1cccc2ccn(CCC(=O)N[C@H](CO)C(C)C)c21 ZINC000218328599 402295364 /nfs/dbraw/zinc/29/53/64/402295364.db2.gz ORGWROFDXIESIX-CQSZACIVSA-N 0 0 304.390 2.173 50 70 DEIARN O=C(CCC(F)(F)F)NCCc1nc(-c2cccnc2)no1 ZINC000218300989 402295510 /nfs/dbraw/zinc/29/55/10/402295510.db2.gz HRBXISKLWBUIHR-UHFFFAOYSA-N 0 0 314.267 2.133 50 70 DEIARN COCC[C@@H]1CCCCN1C(=O)c1ccc(OC)nc1OC ZINC000218669391 402296221 /nfs/dbraw/zinc/29/62/21/402296221.db2.gz LWHKLPWEZOVQSX-LBPRGKRZSA-N 0 0 308.378 2.130 50 70 DEIARN CC(C)c1cc(=O)n(CC(=O)N[C@H](C)c2cccs2)cn1 ZINC000160733548 402358589 /nfs/dbraw/zinc/35/85/89/402358589.db2.gz PNEZCDMQVHPUGT-LLVKDONJSA-N 0 0 305.403 2.306 50 70 DEIARN Cc1nccn1CC[C@@H]1CCCCN1C(=O)C(=O)c1ccco1 ZINC000217080119 568416218 /nfs/dbraw/zinc/41/62/18/568416218.db2.gz JCMUDXTXHZWRJL-AWEZNQCLSA-N 0 0 315.373 2.439 50 70 DEIARN Cc1cc(N)n(CC(=O)N2CC[C@@H](c3ccccc3Cl)C2)n1 ZINC000217700057 201522705 /nfs/dbraw/zinc/52/27/05/201522705.db2.gz MGYVHGLBEBLZBD-GFCCVEGCSA-N 0 0 318.808 2.443 50 70 DEIARN C[C@](O)(CNC(=O)[C@@H]1CCOC1)c1cc2ccccc2s1 ZINC000217508825 402292587 /nfs/dbraw/zinc/29/25/87/402292587.db2.gz MPTKQTSDHUZHNJ-WBMJQRKESA-N 0 0 305.399 2.262 50 70 DEIARN Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2ccc(O)c(Cl)c2)o1 ZINC000218295138 402295526 /nfs/dbraw/zinc/29/55/26/402295526.db2.gz YKZFMCGRQGQSLG-SECBINFHSA-N 0 0 323.732 2.020 50 70 DEIARN CCn1cc(CN(C)C(=O)c2c(C)[nH]c3c2C(=O)CCC3)cn1 ZINC000218450090 402296110 /nfs/dbraw/zinc/29/61/10/402296110.db2.gz CPQSVVPIPXPWIK-UHFFFAOYSA-N 0 0 314.389 2.331 50 70 DEIARN CCN(C(=O)c1ccc(Oc2ccccc2)o1)[C@H]1COC[C@@H]1O ZINC000218457249 402296293 /nfs/dbraw/zinc/29/62/93/402296293.db2.gz KMJZGVDVBCCORP-KBPBESRZSA-N 0 0 317.341 2.294 50 70 DEIARN CSc1ccccc1C(=O)NCC[C@@H](O)C1CCOCC1 ZINC000217916925 539726716 /nfs/dbraw/zinc/72/67/16/539726716.db2.gz DIQAZQRSZVDYGQ-CQSZACIVSA-N 0 0 309.431 2.316 50 70 DEIARN O=C(c1cc2ccccc2s1)N1CCn2nc(CO)cc2C1 ZINC000216996546 201508145 /nfs/dbraw/zinc/50/81/45/201508145.db2.gz FNZRQZHTWASNKO-UHFFFAOYSA-N 0 0 313.382 2.246 50 70 DEIARN CCOC(=O)c1ccc2c(c1)[nH]c(=O)c(=O)n2C1CCCCC1 ZINC000217339171 201513211 /nfs/dbraw/zinc/51/32/11/201513211.db2.gz WAQGHNSCWJDLEL-UHFFFAOYSA-N 0 0 316.357 2.372 50 70 DEIARN COc1ncccc1C(=O)NCc1ccc2c(c1)nc(C)n2C ZINC000216958122 402290789 /nfs/dbraw/zinc/29/07/89/402290789.db2.gz JVHKSELSJABSLR-UHFFFAOYSA-N 0 0 310.357 2.215 50 70 DEIARN O=C(N[C@H](Cc1ccncc1)[C@H]1C[C@H](O)C1)c1cc(Cl)c[nH]1 ZINC000218065494 402294255 /nfs/dbraw/zinc/29/42/55/402294255.db2.gz AFDYOMVUTJXBIL-KWCYVHTRSA-N 0 0 319.792 2.175 50 70 DEIARN COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1ccoc1 ZINC000218009113 402294367 /nfs/dbraw/zinc/29/43/67/402294367.db2.gz QSXONSPYPOVAHK-KRWDZBQOSA-N 0 0 301.342 2.242 50 70 DEIARN Cc1nnnn1CCC(=O)N[C@H](CC(C)(C)C)c1cccnc1 ZINC000218345297 402295594 /nfs/dbraw/zinc/29/55/94/402295594.db2.gz XKZTVBPTBOGJSH-CQSZACIVSA-N 0 0 316.409 2.060 50 70 DEIARN CCc1ccc(CN2CCCn3nc([C@@H](C)O)cc3C2)nc1 ZINC000218457935 402296271 /nfs/dbraw/zinc/29/62/71/402296271.db2.gz VHSVQZVPLHVUQO-CYBMUJFWSA-N 0 0 300.406 2.300 50 70 DEIARN CCOc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OC)cc1Cl ZINC000218784273 402296445 /nfs/dbraw/zinc/29/64/45/402296445.db2.gz SWKKXRGFCSQNOE-TZMCWYRMSA-N 0 0 313.781 2.272 50 70 DEIARN O=C(N[C@H]1CCc2ccccc2C1)c1nc2ccccc2[nH]c1=O ZINC000218773285 402296715 /nfs/dbraw/zinc/29/67/15/402296715.db2.gz AMYCTLZSHUEFQK-AWEZNQCLSA-N 0 0 319.364 2.210 50 70 DEIARN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@H]1CSCN1 ZINC000161057383 402370788 /nfs/dbraw/zinc/37/07/88/402370788.db2.gz DEBNNHRYGNWJAZ-WQAKAFBOSA-N 0 0 314.838 2.195 50 70 DEIARN Cc1cc(C[C@@H](C)NC(=O)Nc2ccc([S@@](C)=O)cc2)[nH]n1 ZINC000161127137 402373893 /nfs/dbraw/zinc/37/38/93/402373893.db2.gz UUJRIHOCDCRHGX-STFLBKPXSA-N 0 0 320.418 2.208 50 70 DEIARN CC(C)N(CCS(C)(=O)=O)C(=O)Nc1ccccc1F ZINC000159824287 402331744 /nfs/dbraw/zinc/33/17/44/402331744.db2.gz NKLLNIHHNPDBEN-UHFFFAOYSA-N 0 0 302.371 2.113 50 70 DEIARN COc1ccc2ncc(C(=O)NCCc3ccncc3)c(O)c2c1 ZINC000218290780 201534650 /nfs/dbraw/zinc/53/46/50/201534650.db2.gz PNKIPKOANNHFAR-UHFFFAOYSA-N 0 0 323.352 2.317 50 70 DEIARN CC(=O)N1CC(Nc2cccc(OC(F)(F)F)c2)=CC1=O ZINC000218291349 201537153 /nfs/dbraw/zinc/53/71/53/201537153.db2.gz CJDFERMQUPRWHC-UHFFFAOYSA-N 0 0 300.236 2.270 50 70 DEIARN Cc1c[nH]nc1C1CCN(C(=O)Cn2ncc3ccccc32)CC1 ZINC000217189023 402291299 /nfs/dbraw/zinc/29/12/99/402291299.db2.gz ZKTSHHUVVBQPIF-UHFFFAOYSA-N 0 0 323.400 2.474 50 70 DEIARN O=C(c1ccccn1)N1CCC2(CC1)OC(=O)c1ccccc12 ZINC000217510156 402292321 /nfs/dbraw/zinc/29/23/21/402292321.db2.gz CBZPVZGSYOYMRH-UHFFFAOYSA-N 0 0 308.337 2.384 50 70 DEIARN Cc1cc(C(=O)NCc2cnn(-c3ccccc3C)c2)cc(=O)[nH]1 ZINC000217716083 402293590 /nfs/dbraw/zinc/29/35/90/402293590.db2.gz QQDVNSDTMMBOFF-UHFFFAOYSA-N 0 0 322.368 2.107 50 70 DEIARN Cc1nnc(CCNC(=O)CCc2ccc(N(C)C)cc2)s1 ZINC000217780828 402293928 /nfs/dbraw/zinc/29/39/28/402293928.db2.gz UARPKXARRPNKGF-UHFFFAOYSA-N 0 0 318.446 2.204 50 70 DEIARN Cc1cc2c(c(=O)o1)[C@@H](c1ccc3c(c1)OCO3)CC(=O)O2 ZINC000218127074 402294930 /nfs/dbraw/zinc/29/49/30/402294930.db2.gz YQEQLRNLWUTTRS-SNVBAGLBSA-N 0 0 300.266 2.118 50 70 biogenic DEIARN COCCC(=O)N[C@@H](c1ccncc1)c1ccc(OC)cc1 ZINC000218328338 402295314 /nfs/dbraw/zinc/29/53/14/402295314.db2.gz DDECAONKTUIFQQ-QGZVFWFLSA-N 0 0 300.358 2.332 50 70 DEIARN Cc1ncn(CC(=O)N[C@H](c2nccn2C)c2ccccc2)c1C ZINC000218387839 402295414 /nfs/dbraw/zinc/29/54/14/402295414.db2.gz DORFHOSWXQBBCX-KRWDZBQOSA-N 0 0 323.400 2.139 50 70 DEIARN Cc1oncc1C(=O)NCCc1nccc(-c2ccccc2)n1 ZINC000218290025 402295681 /nfs/dbraw/zinc/29/56/81/402295681.db2.gz MULIKSVLVBPQTF-UHFFFAOYSA-N 0 0 308.341 2.413 50 70 DEIARN Cc1noc2nc3c(c(C(=O)NCc4ccncc4)c12)CCC3 ZINC000218429311 402296027 /nfs/dbraw/zinc/29/60/27/402296027.db2.gz CRYBLDLKHNGGLO-UHFFFAOYSA-N 0 0 308.341 2.345 50 70 DEIARN Cc1ccccc1CC(=O)N[C@@H]1COCC[C@@H]1OCC1CC1 ZINC000218531526 402296127 /nfs/dbraw/zinc/29/61/27/402296127.db2.gz JGXLWWURKMLJSO-SJORKVTESA-N 0 0 303.402 2.238 50 70 DEIARN CC(=O)c1ccc2c(c1O)[C@@H](c1cnn3cccnc13)CC(=O)O2 ZINC000218259264 277114505 /nfs/dbraw/zinc/11/45/05/277114505.db2.gz JJBIKUGZXVPUMO-LLVKDONJSA-N 0 0 323.308 2.079 50 70 DEIARN COC(=O)c1ccc([C@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc1 ZINC000218072084 277161620 /nfs/dbraw/zinc/16/16/20/277161620.db2.gz BGXBFDAUOCBEMY-GFCCVEGCSA-N 0 0 314.293 2.176 50 70 biogenic DEIARN CC[C@@H](C(=O)NCC[C@@H](O)C1CCOCC1)c1ccccc1 ZINC000217916238 539726813 /nfs/dbraw/zinc/72/68/13/539726813.db2.gz NTSDBTFPDBJIEE-IAGOWNOFSA-N 0 0 305.418 2.474 50 70 DEIARN Cc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)on1 ZINC000218014201 201530468 /nfs/dbraw/zinc/53/04/68/201530468.db2.gz YFPYEASDPRUHKA-CABCVRRESA-N 0 0 316.357 2.087 50 70 DEIARN CSCC[C@@H](O)C(=O)NCCc1c(C)[nH]c2ccccc21 ZINC000217205354 402291280 /nfs/dbraw/zinc/29/12/80/402291280.db2.gz ZVWDJJDOYORMBH-OAHLLOKOSA-N 0 0 306.431 2.249 50 70 DEIARN Cc1nccn1CCC(=O)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000217757797 402293390 /nfs/dbraw/zinc/29/33/90/402293390.db2.gz KFDAMFBIIKZSFN-UHFFFAOYSA-N 0 0 309.373 2.084 50 70 DEIARN CC(C)Cc1cc(C(=O)N[C@H](CO)c2ccccc2)n(C)n1 ZINC000218174919 402294708 /nfs/dbraw/zinc/29/47/08/402294708.db2.gz QVYBLCPZGZZSOX-OAHLLOKOSA-N 0 0 301.390 2.082 50 70 DEIARN Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2ccc(O)c(Cl)c2)o1 ZINC000218295207 402295397 /nfs/dbraw/zinc/29/53/97/402295397.db2.gz YKZFMCGRQGQSLG-VIFPVBQESA-N 0 0 323.732 2.020 50 70 DEIARN O=C(NCCCn1ccnn1)[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000218473830 402296269 /nfs/dbraw/zinc/29/62/69/402296269.db2.gz CHSJRCKESONCNH-OAHLLOKOSA-N 0 0 323.400 2.386 50 70 DEIARN O=C(c1cn[nH]c1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000160365027 402342681 /nfs/dbraw/zinc/34/26/81/402342681.db2.gz GDAUQAMHASLPKC-UHFFFAOYSA-N 0 0 324.306 2.391 50 70 DEIARN C[C@H](CC1CC1)NC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000160186330 402337720 /nfs/dbraw/zinc/33/77/20/402337720.db2.gz QYVFYWUIPDTALS-CQSZACIVSA-N 0 0 302.422 2.097 50 70 DEIARN CC(C)CCc1cc(C(=O)N[C@H](CO)Cc2ccccc2)[nH]n1 ZINC000218131030 201531805 /nfs/dbraw/zinc/53/18/05/201531805.db2.gz WCHFDGFQTKDNNP-INIZCTEOSA-N 0 0 315.417 2.332 50 70 DEIARN COc1cccc(C(=O)N[C@@H]2CCOC[C@H]2OCC2CC2)c1F ZINC000218500378 201540549 /nfs/dbraw/zinc/54/05/49/201540549.db2.gz GRDICIOPJJTTAE-UKRRQHHQSA-N 0 0 323.364 2.148 50 70 DEIARN Cc1cc(C(=O)NCCc2noc(-c3ccccc3)n2)nc(C)n1 ZINC000217017727 402290749 /nfs/dbraw/zinc/29/07/49/402290749.db2.gz BAIFZVPAYZIHQJ-UHFFFAOYSA-N 0 0 323.356 2.116 50 70 DEIARN Cc1nnc(CNC(=O)C(C)(C)Oc2ccc3c(c2)CCC3)o1 ZINC000217660183 402293380 /nfs/dbraw/zinc/29/33/80/402293380.db2.gz AVZIZCOJKFSCHQ-UHFFFAOYSA-N 0 0 315.373 2.341 50 70 DEIARN COC(=O)C[C@@H](c1cccnc1)c1cc2c(cc1O)OCO2 ZINC000218082869 402294356 /nfs/dbraw/zinc/29/43/56/402294356.db2.gz QONUDTFBDKZLDE-NSHDSACASA-N 0 0 301.298 2.211 50 70 biogenic DEIARN Cc1cnn(CCC(=O)NCCCn2ccnc2C(C)C)c1 ZINC000218412288 402296146 /nfs/dbraw/zinc/29/61/46/402296146.db2.gz YNSQIQLJEZIJDS-UHFFFAOYSA-N 0 0 303.410 2.108 50 70 DEIARN Cc1cc(C[C@@H](C)NC(=O)Nc2ccc([S@](C)=O)cc2)[nH]n1 ZINC000161126903 402374091 /nfs/dbraw/zinc/37/40/91/402374091.db2.gz UUJRIHOCDCRHGX-ZQJOYCHOSA-N 0 0 320.418 2.208 50 70 DEIARN Cn1cccc1[C@@H](O)CCNC(=O)c1cc(-c2ccco2)on1 ZINC000217934563 424885000 /nfs/dbraw/zinc/88/50/00/424885000.db2.gz UAGSIQIWYSKPQF-ZDUSSCGKSA-N 0 0 315.329 2.127 50 70 DEIARN