smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C[NH+]2CCN(Cc3nccn3C)CC2)nc1 ZINC000160019867 362003864 /nfs/dbraw/zinc/00/38/64/362003864.db2.gz YMVGUJOYMFFIES-UHFFFAOYSA-N 1 2 285.395 1.441 10 70 CDIELO CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@@](C)(O)C1 ZINC000160294504 529814103 /nfs/dbraw/zinc/81/41/03/529814103.db2.gz MVBBWMPQVFSWES-OAHLLOKOSA-N 1 2 292.383 1.204 10 70 CDIELO O[C@H](C[C@@H]1COCCN1Cc1[nH]cc[nH+]1)c1ccco1 ZINC000159457097 188426105 /nfs/dbraw/zinc/42/61/05/188426105.db2.gz XFFORNKICJTUHU-VXGBXAGGSA-N 1 2 277.324 1.327 10 70 CDIELO COC[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000161180927 522339321 /nfs/dbraw/zinc/33/93/21/522339321.db2.gz IKRGQBBIPCLYAO-HUUCEWRRSA-N 1 2 299.374 1.949 10 70 CDIELO COC(=O)CC[NH+]1CCN(C(=O)N2CCC(C)CC2)CC1 ZINC000159531054 362334237 /nfs/dbraw/zinc/33/42/37/362334237.db2.gz BDXFMDMUKNUFGA-UHFFFAOYSA-N 1 2 297.399 1.019 10 70 CDIELO CCc1nc(C[N@H+]2CCC[C@H](c3nncn3CC)C2)no1 ZINC000161412223 522309230 /nfs/dbraw/zinc/30/92/30/522309230.db2.gz DLTRDEYXHUZYSB-NSHDSACASA-N 1 2 290.371 1.623 10 70 CDIELO CCc1nc(C[N@@H+]2CCC[C@H](c3nncn3CC)C2)no1 ZINC000161412223 522309236 /nfs/dbraw/zinc/30/92/36/522309236.db2.gz DLTRDEYXHUZYSB-NSHDSACASA-N 1 2 290.371 1.623 10 70 CDIELO CCc1nc(C[N@H+]2CCC[C@@H](c3nncn3CC)C2)no1 ZINC000161412357 522305383 /nfs/dbraw/zinc/30/53/83/522305383.db2.gz DLTRDEYXHUZYSB-LLVKDONJSA-N 1 2 290.371 1.623 10 70 CDIELO CCc1nc(C[N@@H+]2CCC[C@@H](c3nncn3CC)C2)no1 ZINC000161412357 522305395 /nfs/dbraw/zinc/30/53/95/522305395.db2.gz DLTRDEYXHUZYSB-LLVKDONJSA-N 1 2 290.371 1.623 10 70 CDIELO COC[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000161180814 522722591 /nfs/dbraw/zinc/72/25/91/522722591.db2.gz IKRGQBBIPCLYAO-CABCVRRESA-N 1 2 299.374 1.949 10 70 CDIELO CCCCn1nnnc1C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160748333 539116422 /nfs/dbraw/zinc/11/64/22/539116422.db2.gz XSKLEDQFZPTFKB-UKRRQHHQSA-N 1 2 293.415 1.600 10 70 CDIELO CCCCn1nnnc1C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160748333 539116423 /nfs/dbraw/zinc/11/64/23/539116423.db2.gz XSKLEDQFZPTFKB-UKRRQHHQSA-N 1 2 293.415 1.600 10 70 CDIELO Cc1noc([C@H]2COCCN2CCCn2cc[nH+]c2)n1 ZINC000161124472 526672476 /nfs/dbraw/zinc/67/24/76/526672476.db2.gz LCXGHSKFMPXFIO-GFCCVEGCSA-N 1 2 277.328 1.038 10 70 CDIELO CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@](C)(O)C1 ZINC000160294385 529814111 /nfs/dbraw/zinc/81/41/11/529814111.db2.gz MVBBWMPQVFSWES-HNNXBMFYSA-N 1 2 292.383 1.204 10 70 CDIELO NC(=O)C[C@@H](Nc1cc[nH+]c(C2CC2)n1)C1CCOCC1 ZINC000161266355 377201509 /nfs/dbraw/zinc/20/15/09/377201509.db2.gz CHGYYYHDMQNELB-GFCCVEGCSA-N 1 2 290.367 1.437 10 70 CDIELO C[N@@H+]1CC[C@H](NC(N)=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000160708588 290214091 /nfs/dbraw/zinc/21/40/91/290214091.db2.gz NDTQGQRFYOLLEV-QWRGUYRKSA-N 1 2 255.268 1.378 10 70 CDIELO C[N@H+]1CC[C@H](NC(N)=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000160708588 290214094 /nfs/dbraw/zinc/21/40/94/290214094.db2.gz NDTQGQRFYOLLEV-QWRGUYRKSA-N 1 2 255.268 1.378 10 70 CDIELO CCc1nnc(C[NH2+][C@H](COC)c2ccccc2)[nH]1 ZINC000160394837 362419900 /nfs/dbraw/zinc/41/99/00/362419900.db2.gz ZECSWRQRZMETJH-GFCCVEGCSA-N 1 2 260.341 1.844 10 70 CDIELO CCc1nnc(C[NH2+][C@H](c2nnc3ccccn32)C(C)C)[nH]1 ZINC000160550836 522356359 /nfs/dbraw/zinc/35/63/59/522356359.db2.gz YWOYMMQMZZQRAO-AWEZNQCLSA-N 1 2 299.382 1.897 10 70 CDIELO CCc1ccc(CC(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000160204340 362054264 /nfs/dbraw/zinc/05/42/64/362054264.db2.gz INTKXYVMJGLVPY-CQSZACIVSA-N 1 2 290.407 1.628 10 70 CDIELO C[C@H](CNC(=O)[C@@H]1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000160210238 362056046 /nfs/dbraw/zinc/05/60/46/362056046.db2.gz MZGPAZAIGQBMPF-MGPQQGTHSA-N 1 2 268.401 1.650 10 70 CDIELO O[C@H](C[C@H]1COCC[N@@H+]1C[C@@H]1CCCCO1)c1ccco1 ZINC000159396281 364199067 /nfs/dbraw/zinc/19/90/67/364199067.db2.gz YXJCAUGYGZBKBE-SOUVJXGZSA-N 1 2 295.379 1.973 10 70 CDIELO O[C@H](C[C@H]1COCC[N@H+]1C[C@@H]1CCCCO1)c1ccco1 ZINC000159396281 364199072 /nfs/dbraw/zinc/19/90/72/364199072.db2.gz YXJCAUGYGZBKBE-SOUVJXGZSA-N 1 2 295.379 1.973 10 70 CDIELO CO[C@H](C)c1noc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000161134934 523921030 /nfs/dbraw/zinc/92/10/30/523921030.db2.gz YUECKORCZLYUKS-LALPHHSUSA-N 1 2 295.383 1.904 10 70 CDIELO CO[C@H](C)c1noc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000161134934 523921037 /nfs/dbraw/zinc/92/10/37/523921037.db2.gz YUECKORCZLYUKS-LALPHHSUSA-N 1 2 295.383 1.904 10 70 CDIELO CC(C)n1nnnc1C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160934593 520144564 /nfs/dbraw/zinc/14/45/64/520144564.db2.gz TUEKREGNEHBWFI-TZMCWYRMSA-N 1 2 279.388 1.381 10 70 CDIELO CC(C)n1nnnc1C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160934593 520144569 /nfs/dbraw/zinc/14/45/69/520144569.db2.gz TUEKREGNEHBWFI-TZMCWYRMSA-N 1 2 279.388 1.381 10 70 CDIELO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000160135599 534594021 /nfs/dbraw/zinc/59/40/21/534594021.db2.gz OJHUZISTOBPHHB-HZSPNIEDSA-N 1 2 289.379 1.616 10 70 CDIELO Cn1cnnc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000160910521 362205636 /nfs/dbraw/zinc/20/56/36/362205636.db2.gz XRGZWYQPFKHXFF-LBPRGKRZSA-N 1 2 272.356 1.144 10 70 CDIELO Cn1cnnc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000160910521 362205641 /nfs/dbraw/zinc/20/56/41/362205641.db2.gz XRGZWYQPFKHXFF-LBPRGKRZSA-N 1 2 272.356 1.144 10 70 CDIELO Cn1cnnc1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000160910521 362205647 /nfs/dbraw/zinc/20/56/47/362205647.db2.gz XRGZWYQPFKHXFF-LBPRGKRZSA-N 1 2 272.356 1.144 10 70 CDIELO Cn1cnnc1C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000160910521 362205653 /nfs/dbraw/zinc/20/56/53/362205653.db2.gz XRGZWYQPFKHXFF-LBPRGKRZSA-N 1 2 272.356 1.144 10 70 CDIELO CCOC(=O)CC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159500284 364220734 /nfs/dbraw/zinc/22/07/34/364220734.db2.gz VZGNFAQEJUCCDE-STQMWFEESA-N 1 2 297.351 1.357 10 70 CDIELO CCOC(=O)CC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159500284 364220740 /nfs/dbraw/zinc/22/07/40/364220740.db2.gz VZGNFAQEJUCCDE-STQMWFEESA-N 1 2 297.351 1.357 10 70 CDIELO CCc1nnc(C[N@H+](C)CCc2ncc(C)s2)[nH]1 ZINC000159524930 364227021 /nfs/dbraw/zinc/22/70/21/364227021.db2.gz HXSUQGMWGNTVPJ-UHFFFAOYSA-N 1 2 265.386 1.807 10 70 CDIELO CCc1nnc(C[N@@H+](C)CCc2ncc(C)s2)[nH]1 ZINC000159524930 364227031 /nfs/dbraw/zinc/22/70/31/364227031.db2.gz HXSUQGMWGNTVPJ-UHFFFAOYSA-N 1 2 265.386 1.807 10 70 CDIELO CCc1nnc(C[NH2+][C@@H](COC)c2ccccc2)[nH]1 ZINC000160394694 362420482 /nfs/dbraw/zinc/42/04/82/362420482.db2.gz ZECSWRQRZMETJH-LBPRGKRZSA-N 1 2 260.341 1.844 10 70 CDIELO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCCCC[C@@H]1C(N)=O ZINC000160727826 360836071 /nfs/dbraw/zinc/83/60/71/360836071.db2.gz CCAMYFSKZJJXAG-GXSJLCMTSA-N 1 2 288.355 1.209 10 70 CDIELO CS(=O)(=O)c1ccc(N2CC[NH+](C3CC3)CC2)cc1 ZINC000159361313 364189758 /nfs/dbraw/zinc/18/97/58/364189758.db2.gz HWZFWCQMALDSJN-UHFFFAOYSA-N 1 2 280.393 1.375 10 70 CDIELO COc1cccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)n1 ZINC000161057574 526001355 /nfs/dbraw/zinc/00/13/55/526001355.db2.gz BJLKTGFHKQBRHQ-NSHDSACASA-N 1 2 286.335 1.166 10 70 CDIELO Cc1ccc(CS(=O)(=O)N2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000216735430 140163728 /nfs/dbraw/zinc/16/37/28/140163728.db2.gz MTEDFLKHLSDMSG-CYBMUJFWSA-N 1 2 282.409 1.461 10 70 CDIELO Cc1ccc(CS(=O)(=O)N2CC[N@H+](C)C[C@H]2C)cc1 ZINC000216735430 140163730 /nfs/dbraw/zinc/16/37/30/140163730.db2.gz MTEDFLKHLSDMSG-CYBMUJFWSA-N 1 2 282.409 1.461 10 70 CDIELO CCc1nnc(CN2CCC[C@H](Cc3[nH+]ccn3C)C2)[nH]1 ZINC000160147578 362039765 /nfs/dbraw/zinc/03/97/65/362039765.db2.gz RDQSLKWZHHZBEO-GFCCVEGCSA-N 1 2 288.399 1.555 10 70 CDIELO Cc1csc([C@H]2CCC[N@@H+](Cc3nncn3C)C2)n1 ZINC000160892085 362195561 /nfs/dbraw/zinc/19/55/61/362195561.db2.gz SEQCJTZXFLTQIB-NSHDSACASA-N 1 2 277.397 1.960 10 70 CDIELO Cc1csc([C@H]2CCC[N@H+](Cc3nncn3C)C2)n1 ZINC000160892085 362195563 /nfs/dbraw/zinc/19/55/63/362195563.db2.gz SEQCJTZXFLTQIB-NSHDSACASA-N 1 2 277.397 1.960 10 70 CDIELO Cc1ccccc1-c1noc(=O)n1CCn1cc[nH+]c1 ZINC000160118483 363676104 /nfs/dbraw/zinc/67/61/04/363676104.db2.gz CDGOOEUJIWGFOC-UHFFFAOYSA-N 1 2 270.292 1.708 10 70 CDIELO CCCOC(=O)[C@@H](C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000160067199 364302728 /nfs/dbraw/zinc/30/27/28/364302728.db2.gz ZXOLJEUWISDFLP-GFCCVEGCSA-N 1 2 279.384 1.941 10 70 CDIELO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)OC(C)(C)C)C1 ZINC000161413030 523596434 /nfs/dbraw/zinc/59/64/34/523596434.db2.gz WXTKWAJQCBFNEF-GFCCVEGCSA-N 1 2 294.399 1.819 10 70 CDIELO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)OC(C)(C)C)C1 ZINC000161413030 523596441 /nfs/dbraw/zinc/59/64/41/523596441.db2.gz WXTKWAJQCBFNEF-GFCCVEGCSA-N 1 2 294.399 1.819 10 70 CDIELO CCCn1cc(C[N@H+](CC)[C@H]2CCS(=O)(=O)C2)cn1 ZINC000160560245 364005260 /nfs/dbraw/zinc/00/52/60/364005260.db2.gz QMQFEYMFNMDLIU-ZDUSSCGKSA-N 1 2 285.413 1.302 10 70 CDIELO CCCn1cc(C[N@@H+](CC)[C@H]2CCS(=O)(=O)C2)cn1 ZINC000160560245 364005267 /nfs/dbraw/zinc/00/52/67/364005267.db2.gz QMQFEYMFNMDLIU-ZDUSSCGKSA-N 1 2 285.413 1.302 10 70 CDIELO O=C(NCCc1ccsc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000159636779 361755082 /nfs/dbraw/zinc/75/50/82/361755082.db2.gz WYENSVWUSOBXHS-LBPRGKRZSA-N 1 2 275.377 1.866 10 70 CDIELO c1csc([C@H]2C[N@H+](CCOCC3CC3)CCO2)n1 ZINC000160110555 237163870 /nfs/dbraw/zinc/16/38/70/237163870.db2.gz OIFJGPFQTVSLBY-GFCCVEGCSA-N 1 2 268.382 1.943 10 70 CDIELO c1csc([C@H]2C[N@@H+](CCOCC3CC3)CCO2)n1 ZINC000160110555 237163884 /nfs/dbraw/zinc/16/38/84/237163884.db2.gz OIFJGPFQTVSLBY-GFCCVEGCSA-N 1 2 268.382 1.943 10 70 CDIELO O=C(NCCc1ccccc1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160113346 362028248 /nfs/dbraw/zinc/02/82/48/362028248.db2.gz AULZERDCUHNASU-CYBMUJFWSA-N 1 2 285.347 1.510 10 70 CDIELO CC[C@H](C(N)=O)[NH+]1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000159488452 358642459 /nfs/dbraw/zinc/64/24/59/358642459.db2.gz SWYJASVVZZBJBH-SWLSCSKDSA-N 1 2 293.386 1.768 10 70 CDIELO CC[C@H](C(N)=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000159488452 358642461 /nfs/dbraw/zinc/64/24/61/358642461.db2.gz SWYJASVVZZBJBH-SWLSCSKDSA-N 1 2 293.386 1.768 10 70 CDIELO Cc1ccc2cc(C(=O)NC[C@@H]3C[N@H+](C)CCO3)ccc2n1 ZINC000161118038 364449929 /nfs/dbraw/zinc/44/99/29/364449929.db2.gz QOMPFDGKXVWNCH-OAHLLOKOSA-N 1 2 299.374 1.604 10 70 CDIELO Cc1ccc2cc(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)ccc2n1 ZINC000161118038 364449936 /nfs/dbraw/zinc/44/99/36/364449936.db2.gz QOMPFDGKXVWNCH-OAHLLOKOSA-N 1 2 299.374 1.604 10 70 CDIELO Cc1noc([C@@H]2COCCN2Cc2[nH+]ccn2C(C)C)n1 ZINC000161005428 526657895 /nfs/dbraw/zinc/65/78/95/526657895.db2.gz MEHKRZLXTBPXCM-LBPRGKRZSA-N 1 2 291.355 1.729 10 70 CDIELO CCOCCC1(C(=O)NC[C@H](C)[NH+]2CCOCC2)CCC1 ZINC000160830639 528604524 /nfs/dbraw/zinc/60/45/24/528604524.db2.gz UEKDJENKRMZPOF-AWEZNQCLSA-N 1 2 298.427 1.420 10 70 CDIELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C[C@@H](O)C(C)C)C2 ZINC000159867585 364276151 /nfs/dbraw/zinc/27/61/51/364276151.db2.gz HCUTYQOZRSBNEG-CQSZACIVSA-N 1 2 293.411 1.835 10 70 CDIELO O=C(N[C@H]1COc2ccccc21)[C@H]1CCn2cc[nH+]c2C1 ZINC000160998291 359949620 /nfs/dbraw/zinc/94/96/20/359949620.db2.gz GPLUXXSBSQOEAC-AAEUAGOBSA-N 1 2 283.331 1.695 10 70 CDIELO CCn1cnnc1C[NH2+]Cc1cc(OC)ccc1OC ZINC000218231309 367261168 /nfs/dbraw/zinc/26/11/68/367261168.db2.gz ISVBFJSNSNAPSK-UHFFFAOYSA-N 1 2 276.340 1.605 10 70 CDIELO C[C@H](C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cccs1 ZINC000160436698 526075398 /nfs/dbraw/zinc/07/53/98/526075398.db2.gz DZAIJXFFWYSKMM-AAEUAGOBSA-N 1 2 294.420 1.831 10 70 CDIELO C[C@H](C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1cccs1 ZINC000160436698 526075403 /nfs/dbraw/zinc/07/54/03/526075403.db2.gz DZAIJXFFWYSKMM-AAEUAGOBSA-N 1 2 294.420 1.831 10 70 CDIELO O=C(CCn1cc[nH+]c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000160372615 279760781 /nfs/dbraw/zinc/76/07/81/279760781.db2.gz BOCRLBXWXHKQOI-DZGCQCFKSA-N 1 2 277.368 1.427 10 70 CDIELO CCCOC(=O)[C@@H](C)[NH+]1CCC(n2cncn2)CC1 ZINC000159910281 361923960 /nfs/dbraw/zinc/92/39/60/361923960.db2.gz VVXXCRQFTOYGGE-LLVKDONJSA-N 1 2 266.345 1.257 10 70 CDIELO C[C@@H](CC(=O)NCC[NH+]1CCOCC1)C(F)(F)F ZINC000218236187 364995930 /nfs/dbraw/zinc/99/59/30/364995930.db2.gz YMFQGYSGQJKHAS-VIFPVBQESA-N 1 2 268.279 1.023 10 70 CDIELO CC[C@@H]1CCCCCN1C(=O)NCC[NH+]1CCOCC1 ZINC000160810243 280235596 /nfs/dbraw/zinc/23/55/96/280235596.db2.gz GRVKZHXLRABIEV-CQSZACIVSA-N 1 2 283.416 1.683 10 70 CDIELO CC(C)n1nnnc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160934731 520143446 /nfs/dbraw/zinc/14/34/46/520143446.db2.gz TUEKREGNEHBWFI-OCCSQVGLSA-N 1 2 279.388 1.381 10 70 CDIELO CC(C)n1nnnc1C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160934731 520143457 /nfs/dbraw/zinc/14/34/57/520143457.db2.gz TUEKREGNEHBWFI-OCCSQVGLSA-N 1 2 279.388 1.381 10 70 CDIELO COC[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000161181038 522725306 /nfs/dbraw/zinc/72/53/06/522725306.db2.gz IKRGQBBIPCLYAO-GJZGRUSLSA-N 1 2 299.374 1.949 10 70 CDIELO Cc1cc(NC(=O)CN(C)Cc2[nH+]ccn2C(C)C)no1 ZINC000160728311 525135301 /nfs/dbraw/zinc/13/53/01/525135301.db2.gz LTHABWZRTLAFGC-UHFFFAOYSA-N 1 2 291.355 1.831 10 70 CDIELO C[N@H+](CC(=O)NC1CCCCC1)Cc1cccnc1 ZINC000161284753 377552563 /nfs/dbraw/zinc/55/25/63/377552563.db2.gz NVKNNPCSNSZFLD-UHFFFAOYSA-N 1 2 261.369 1.962 10 70 CDIELO C[N@@H+](CC(=O)NC1CCCCC1)Cc1cccnc1 ZINC000161284753 377552570 /nfs/dbraw/zinc/55/25/70/377552570.db2.gz NVKNNPCSNSZFLD-UHFFFAOYSA-N 1 2 261.369 1.962 10 70 CDIELO CSCCCCC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000159648402 361760888 /nfs/dbraw/zinc/76/08/88/361760888.db2.gz ULVUQSQFPHOPND-GFCCVEGCSA-N 1 2 274.430 1.357 10 70 CDIELO Cc1[nH]nc(C(C)C)c1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000159860653 361880048 /nfs/dbraw/zinc/88/00/48/361880048.db2.gz QAXMBTUMOBGSNE-LLVKDONJSA-N 1 2 294.399 1.292 10 70 CDIELO Cc1n[nH]c(C(C)C)c1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000159860653 361880055 /nfs/dbraw/zinc/88/00/55/361880055.db2.gz QAXMBTUMOBGSNE-LLVKDONJSA-N 1 2 294.399 1.292 10 70 CDIELO Cc1nc(N[C@@H](Cc2ccccc2)C(=O)N(C)C)cc[nH+]1 ZINC000161336231 364479073 /nfs/dbraw/zinc/47/90/73/364479073.db2.gz PLVFLKISSNJVRQ-AWEZNQCLSA-N 1 2 284.363 1.896 10 70 CDIELO 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