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/nfs/dbraw/zinc/86/13/00/154861300.db2.gz FXTHUHZHXACHGJ-CHWSQXEVSA-N 0 0 343.405 -0.105 10 0 EBAERN Cn1c2ccccc2n(CC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)c1=O ZINC000286473166 154921075 /nfs/dbraw/zinc/92/10/75/154921075.db2.gz VNARZWKHOUUIJL-NEPJUHHUSA-N 0 0 343.387 -0.036 10 0 EBAERN C[C@H]1CN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CCS1 ZINC000333307953 155504871 /nfs/dbraw/zinc/50/48/71/155504871.db2.gz IRSTXJVGIZGRFK-JTQLQIEISA-N 0 0 343.496 -0.754 10 0 EBAERN COC[C@@H]1C[C@@H](OC)CN1C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000344628894 156247396 /nfs/dbraw/zinc/24/73/96/156247396.db2.gz LWVRZFMPRHAZHN-HWWQOWPSSA-N 0 0 339.392 -0.031 10 0 EBAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000355505245 157006400 /nfs/dbraw/zinc/00/64/00/157006400.db2.gz GIVWEJWFHKPGTI-GHMZBOCLSA-N 0 0 329.378 -0.610 10 0 EBAERN CCN(CCOCCO)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC000368638510 157565589 /nfs/dbraw/zinc/56/55/89/157565589.db2.gz NXJCWFNQDRVPRR-WFASDCNBSA-N 0 0 338.408 -0.203 10 0 EBAERN COCCN1CCCN(C(=O)[C@H]2CSCN2C(C)=O)CC1=O ZINC000373743152 157649160 /nfs/dbraw/zinc/64/91/60/157649160.db2.gz UMUNICRREMTLAF-GFCCVEGCSA-N 0 0 329.422 -0.385 10 0 EBAERN CO[C@H]1C[C@@H](C(N)=O)N(S(=O)(=O)N2CCc3ccccc3C2)C1 ZINC000408029708 157705615 /nfs/dbraw/zinc/70/56/15/157705615.db2.gz YABJWNFQLOFXCP-KBPBESRZSA-N 0 0 339.417 -0.136 10 0 EBAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000408366441 157722756 /nfs/dbraw/zinc/72/27/56/157722756.db2.gz OBOHLBHHEWQNEY-OUAUKWLOSA-N 0 0 333.410 -0.762 10 0 EBAERN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCO[C@@H](CO)C1)C2=O ZINC000408370715 157722796 /nfs/dbraw/zinc/72/27/96/157722796.db2.gz OPOCIJQQSIXINU-HSMVNMDESA-N 0 0 339.392 -0.293 10 0 EBAERN C[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1)[C@@H]1CCOC1 ZINC000332815234 418980156 /nfs/dbraw/zinc/98/01/56/418980156.db2.gz WOVJWYIMUDLWHU-YIYPIFLZSA-N 0 0 326.393 -0.066 10 0 EBAERN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCC(=O)NC1 ZINC000407989529 419131817 /nfs/dbraw/zinc/13/18/17/419131817.db2.gz KGTFJBXPKARJTH-NEPJUHHUSA-N 0 0 331.438 -0.025 10 0 EBAERN C[C@H](C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)N1CCOCC1 ZINC000408000613 419132178 /nfs/dbraw/zinc/13/21/78/419132178.db2.gz FBQDCRPMHQWFGI-CHWSQXEVSA-N 0 0 333.454 -0.363 10 0 EBAERN Cn1cc(S(=O)(=O)NC[C@H]2CCn3ccnc3C2)cc1C(N)=O ZINC000583615503 419150063 /nfs/dbraw/zinc/15/00/63/419150063.db2.gz XCGHCFPBBOXQGD-JTQLQIEISA-N 0 0 337.405 -0.139 10 0 EBAERN COC[C@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC(C)(C)O1 ZINC000408059593 419179747 /nfs/dbraw/zinc/17/97/47/419179747.db2.gz QZMYKPGYMOWYDI-SNVBAGLBSA-N 0 0 327.381 -0.031 10 0 EBAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](S(C)(=O)=O)C1)CC2 ZINC000407972051 419128514 /nfs/dbraw/zinc/12/85/14/419128514.db2.gz RVAPTGPYXWOMOD-MNOVXSKESA-N 0 0 341.437 -0.016 10 0 EBAERN O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CC[C@@H](N2CCOCC2)C1 ZINC000178289795 419778663 /nfs/dbraw/zinc/77/86/63/419778663.db2.gz TWTHLHMAEXJNPM-CHWSQXEVSA-N 0 0 333.392 -0.304 10 0 EBAERN C[C@@H]1CN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC2)CCS1(=O)=O ZINC000332760003 419808896 /nfs/dbraw/zinc/80/88/96/419808896.db2.gz PSKUDVTXAIXLDN-SUZMYJTESA-N 0 0 329.422 -0.128 10 0 EBAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N1CCOC[C@@H]1C(N)=O ZINC000368649040 419981148 /nfs/dbraw/zinc/98/11/48/419981148.db2.gz ZMGIJJWOPGTHLW-QWHCGFSZSA-N 0 0 347.437 -0.707 10 0 EBAERN C[C@@H]1CC[C@H](C(=O)N2CCO[C@H](CNc3nccn(C)c3=O)C2)O1 ZINC000333095147 420601215 /nfs/dbraw/zinc/60/12/15/420601215.db2.gz BYMGOGOVRNYDSW-JHJVBQTASA-N 0 0 336.392 -0.013 10 0 EBAERN C[C@@H]1CC[C@@H](C(=O)N2CCO[C@H](CNc3nccn(C)c3=O)C2)O1 ZINC000333095148 420601426 /nfs/dbraw/zinc/60/14/26/420601426.db2.gz BYMGOGOVRNYDSW-UPJWGTAASA-N 0 0 336.392 -0.013 10 0 EBAERN C[C@H](C(=O)N(C)C)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000069250851 420933661 /nfs/dbraw/zinc/93/36/61/420933661.db2.gz QIOYURJOLDMYBT-ZIAGYGMSSA-N 0 0 326.441 -0.672 10 0 EBAERN C[C@H](C(=O)N(C)C)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000069250849 420934064 /nfs/dbraw/zinc/93/40/64/420934064.db2.gz QIOYURJOLDMYBT-KGLIPLIRSA-N 0 0 326.441 -0.672 10 0 EBAERN Cc1cc(NC(=O)CN[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)no1 ZINC000328618886 421255241 /nfs/dbraw/zinc/25/52/41/421255241.db2.gz FCQPNGOJCXWNDB-WBMJQRKESA-N 0 0 346.391 0.525 10 0 EBAERN CC(=O)N1CCN(CCNS(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CC1 ZINC000408234778 264688296 /nfs/dbraw/zinc/68/82/96/264688296.db2.gz FTXMNGPCYBASFM-CHWSQXEVSA-N 0 0 348.469 -0.906 10 0 EBAERN COC(=O)c1cc(S(=O)(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c[nH]1 ZINC000408212872 264689206 /nfs/dbraw/zinc/68/92/06/264689206.db2.gz AFTNJHGGRCYIMT-NWDGAFQWSA-N 0 0 329.378 -0.495 10 0 EBAERN CN(C)C(=O)c1cc(S(=O)(=O)N2C[C@H](F)C[C@H]2CO)cn1C ZINC000444279348 272842304 /nfs/dbraw/zinc/84/23/04/272842304.db2.gz QQKCLDNDWVPBRH-ZJUUUORDSA-N 0 0 333.385 -0.180 10 0 EBAERN CC(=O)OC[C@]1(O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000253492909 278220224 /nfs/dbraw/zinc/22/02/24/278220224.db2.gz RNYYDTIQDTUDOI-XUXIUFHCSA-N 0 0 348.304 -0.937 10 0 EBAERN CC[C@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CCN1C[C@H](C)O ZINC000329218747 288257953 /nfs/dbraw/zinc/25/79/53/288257953.db2.gz RXZIDEIUDRGHAR-KBPBESRZSA-N 0 0 347.481 -0.980 10 0 EBAERN C[C@@H]1CN(S(=O)(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)C[C@H](C)O1 ZINC000328883326 297053964 /nfs/dbraw/zinc/05/39/64/297053964.db2.gz NGKIIDWDYPNIKR-RQJABVFESA-N 0 0 333.454 -0.255 10 0 EBAERN O=C(N1CCCC1)[C@@]1(O)CCCN(S(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000408030804 295567994 /nfs/dbraw/zinc/56/79/94/295567994.db2.gz IDLUTBWWBKXVML-UKRRQHHQSA-N 0 0 346.449 -0.198 10 0 EBAERN CCN1CCN(CC(=O)N2CC[C@@H](c3cnn(C)c3)C2)C(=O)C1=O ZINC000116230242 521673641 /nfs/dbraw/zinc/67/36/41/521673641.db2.gz MUNIVVNGQCXNSW-GFCCVEGCSA-N 0 0 333.392 -0.573 10 0 EBAERN C[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1nnc2n1CCCC2 ZINC000135236534 525141220 /nfs/dbraw/zinc/14/12/20/525141220.db2.gz ICSHCNLVOBYOII-SNVBAGLBSA-N 0 0 332.364 -0.648 10 0 EBAERN NC(=S)c1cccc(CS(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000038005188 527121217 /nfs/dbraw/zinc/12/12/17/527121217.db2.gz UULKIJNJMOJKDN-NSHDSACASA-N 0 0 348.471 -0.073 10 0 EBAERN Cc1cnn(Cc2cc(C(=O)NC[C@H](O)CN3CCOCC3)no2)c1 ZINC000132557440 545754629 /nfs/dbraw/zinc/75/46/29/545754629.db2.gz OKPFYJURKDUUNO-ZDUSSCGKSA-N 0 0 349.391 -0.349 10 0 EBAERN CCC(=O)N1CSC[C@H]1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000332764444 545844480 /nfs/dbraw/zinc/84/44/80/545844480.db2.gz HMZVFGGTBKGHFN-RYUDHWBXSA-N 0 0 331.438 -0.893 10 0 EBAERN O=C(NC[C@H](O)CN1CCOCC1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000332766792 545845716 /nfs/dbraw/zinc/84/57/16/545845716.db2.gz VVJQVQDSSCVBDM-CABCVRRESA-N 0 0 339.436 -0.556 10 0 EBAERN Cn1nccc1[C@H]1[C@H](NC(=O)N2C[C@@H](F)C[C@H]2CO)CC(=O)N1C ZINC000332866123 545848514 /nfs/dbraw/zinc/84/85/14/545848514.db2.gz FAZNUHZNYVXFAJ-KZWBYHQPSA-N 0 0 339.371 -0.194 10 0 EBAERN C[C@@H]1C[C@@H](O)CN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000333524524 545863570 /nfs/dbraw/zinc/86/35/70/545863570.db2.gz OQCBROXXSFSPNC-RBSFLKMASA-N 0 0 339.436 -0.604 10 0 EBAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccc(-c2nc[nH]n2)cc1 ZINC000184350672 546413475 /nfs/dbraw/zinc/41/34/75/546413475.db2.gz GBVUSVZVFSTRII-AWEZNQCLSA-N 0 0 331.376 -0.105 10 0 EBAERN CC(C)(C)[C@]1(O)C[C@@H]2OC(=O)C[C@@]23C(=O)O[C@@H]2OC(=O)[C@@H](O)[C@@]213 ZINC000014859723 560227358 /nfs/dbraw/zinc/22/73/58/560227358.db2.gz MOLPUWBMSBJXER-BEYGVBRXSA-N 0 0 326.301 -0.744 10 0 in-vitro EBAERN COCc1nn(C)cc1C(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888093779 582605126 /nfs/dbraw/zinc/60/51/26/582605126.db2.gz SKSFEGAAYIAAPR-UONOGXRCSA-N 0 0 335.364 -0.124 10 0 EBAERN CNC(=O)[C@H]1CC(=O)N(C2CN(S(=O)(=O)c3ccccc3)C2)C1 ZINC000888097949 582605315 /nfs/dbraw/zinc/60/53/15/582605315.db2.gz VFLUOZPZZJKNDK-NSHDSACASA-N 0 0 337.401 -0.346 10 0 EBAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)/C=C(\C)c3cnccn3)C2)C1 ZINC000888098090 582605373 /nfs/dbraw/zinc/60/53/73/582605373.db2.gz CUMWJEJYZMDPLF-JXDHDYMSSA-N 0 0 343.387 -0.315 10 0 EBAERN CCc1cc(N2CC(N3C[C@@H](C(=O)NC)CC3=O)C2)n2ncnc2n1 ZINC000888099248 582605651 /nfs/dbraw/zinc/60/56/51/582605651.db2.gz VAONBWVMFHVPNT-JTQLQIEISA-N 0 0 343.391 -0.530 10 0 EBAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)CN3CCNC(=O)C3)C2)n1 ZINC000900739873 582780892 /nfs/dbraw/zinc/78/08/92/582780892.db2.gz SXFQQEGGFUDNKW-CQSZACIVSA-N 0 0 334.424 -0.435 10 0 EBAERN O=C([O-])[C@@H]1C[NH2+]C[C@@H]1c1ccc(S(=O)(=O)N2CCNCC2)cc1 ZINC000757193130 583660167 /nfs/dbraw/zinc/66/01/67/583660167.db2.gz VPAPBOJAPQACCH-ZIAGYGMSSA-N 0 0 339.417 -0.332 10 0 EBAERN CCCC(=O)N[C@@H]1CCCN(Cn2nnc3c(cnn3C)c2=O)C1 ZINC000132538837 584606223 /nfs/dbraw/zinc/60/62/23/584606223.db2.gz TZKOGMFMTVYOJC-LLVKDONJSA-N 0 0 333.396 -0.137 10 0 EBAERN CN1CCO[C@@H](CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000074773808 584667121 /nfs/dbraw/zinc/66/71/21/584667121.db2.gz LEERTKCTBDMYJZ-VIFPVBQESA-N 0 0 326.378 -0.535 10 0 EBAERN CNC(=O)CNC(=O)C[C@@H]1C(=O)NCCN1C/C=C\c1ccccc1 ZINC000096822783 649973605 /nfs/dbraw/zinc/97/36/05/649973605.db2.gz POIBLXYBGGXGPR-GTBONMDNSA-N 0 0 344.415 -0.248 10 0 EBAERN Cc1nc(CC(=O)N2CCN(S(C)(=O)=O)CC2)c(C)c(=O)[nH]1 ZINC000222932574 649983445 /nfs/dbraw/zinc/98/34/45/649983445.db2.gz PDSGVBPSGYVGPZ-UHFFFAOYSA-N 0 0 328.394 -0.967 10 0 EBAERN Cc1nc(CC(=O)N2CCN(S(C)(=O)=O)CC2)c(C)c(=O)n1C ZINC000222926851 649983576 /nfs/dbraw/zinc/98/35/76/649983576.db2.gz TVJIXVYOKLYIMP-UHFFFAOYSA-N 0 0 342.421 -0.957 10 0 EBAERN CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1ccc(C)c(C)c1 ZINC000247920460 649984122 /nfs/dbraw/zinc/98/41/22/649984122.db2.gz GYWQOXBLTPBTIU-DGADGQDISA-N 0 0 325.361 -0.374 10 0 EBAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)[C@H]2COCCO2)C1 ZINC000702811450 650035563 /nfs/dbraw/zinc/03/55/63/650035563.db2.gz YBOSTIAJHMBSGK-SDDRHHMPSA-N 0 0 330.381 -0.254 10 0 EBAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](O)C1 ZINC000702806447 650035574 /nfs/dbraw/zinc/03/55/74/650035574.db2.gz MAYNVXYGZKOWLM-NXEZZACHSA-N 0 0 326.357 -0.983 10 0 EBAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC000702811666 650035890 /nfs/dbraw/zinc/03/58/90/650035890.db2.gz GJKMBUQKZKUEAT-WOPDTQHZSA-N 0 0 341.408 -0.143 10 0 EBAERN CN1CCO[C@H](C(=O)N2CCN(C)[C@H](c3nc(C4CC4)no3)C2)C1=O ZINC000908090907 650095737 /nfs/dbraw/zinc/09/57/37/650095737.db2.gz AACQDXHSRUDGQW-RYUDHWBXSA-N 0 0 349.391 -0.381 10 0 EBAERN CCN1C(=O)CO[C@H](C(=O)N2CC(COC)C2)[C@H]1c1cnn(C)c1 ZINC000911966217 650198687 /nfs/dbraw/zinc/19/86/87/650198687.db2.gz VSOIHUCJEUMNRD-CABCVRRESA-N 0 0 336.392 -0.187 10 0 EBAERN CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2CO)c1 ZINC000912427422 650205503 /nfs/dbraw/zinc/20/55/03/650205503.db2.gz KQNXLWXSHBVWFO-GFCCVEGCSA-N 0 0 328.390 -0.182 10 0 EBAERN CC(=O)N1Cc2cccnc2[C@H](C(=O)NCC(=O)N2CCOCC2)C1 ZINC000222633511 719408807 /nfs/dbraw/zinc/40/88/07/719408807.db2.gz HIWDUKGQQNQNJR-CQSZACIVSA-N 0 0 346.387 -0.498 10 0 EBAERN CC(=O)n1cc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c2ccccc21 ZINC000015206360 201952823 /nfs/dbraw/zinc/95/28/23/201952823.db2.gz BVTHTINNTYALID-AALSBFMBSA-N 0 0 337.328 -0.520 10 0 EBAERN CN1CCO[C@H]2CCN(C(=O)Cn3nnc4ccccc4c3=O)C[C@H]21 ZINC000328911297 283026304 /nfs/dbraw/zinc/02/63/04/283026304.db2.gz OCFNMMZTWUPLLB-CABCVRRESA-N 0 0 343.387 -0.277 10 0 EBAERN CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ncn(C)c1Cl ZINC000027973252 202162592 /nfs/dbraw/zinc/16/25/92/202162592.db2.gz GYKZYVMXPAACBM-SSDOTTSWSA-N 0 0 327.815 -0.119 10 0 EBAERN CNC(=O)[C@@H]1C[C@H]2CN(c3ncc(C)cn3)C[C@H]2N1S(C)(=O)=O ZINC000253600696 283419161 /nfs/dbraw/zinc/41/91/61/283419161.db2.gz WFFGELPEQLAAQY-SDDRHHMPSA-N 0 0 339.421 -0.630 10 0 EBAERN COc1cccc(N2C(=O)C[C@H](N3CCN(CCO)CC3)C2=O)c1 ZINC000036634073 202328334 /nfs/dbraw/zinc/32/83/34/202328334.db2.gz PGTHFMVRGSLQDA-HNNXBMFYSA-N 0 0 333.388 -0.063 10 0 EBAERN Nc1ncnc2c1c(-c1cc[nH]c1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000072106220 203162441 /nfs/dbraw/zinc/16/24/41/203162441.db2.gz UPQSMPXNDMYOTB-SDBHATRESA-N 0 0 331.332 -0.380 10 0 EBAERN COCc1nc2ncc3c(ccn(N4CCN(C)CC4)c3=O)n2n1 ZINC000072465733 203229975 /nfs/dbraw/zinc/22/99/75/203229975.db2.gz RBRXXADDSOSXCM-UHFFFAOYSA-N 0 0 329.364 -0.531 10 0 EBAERN CC(C)(C)[C@]1(O)C[C@@H]2OC(=O)C[C@]23C(=O)O[C@H]2OC(=O)[C@@H](O)[C@@]213 ZINC000109868735 204296578 /nfs/dbraw/zinc/29/65/78/204296578.db2.gz MOLPUWBMSBJXER-NVFOTYNDSA-N 0 0 326.301 -0.744 10 0 EBAERN CCc1noc(C)c1C(=O)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1 ZINC000643586243 375913695 /nfs/dbraw/zinc/91/36/95/375913695.db2.gz OBHGHFDUCCNFPH-NFAWXSAZSA-N 0 0 339.392 -0.576 10 0 EBAERN CCS(=O)(=O)N1CC(CNC(=O)C(=O)N2CCC[C@H](C)C2)C1 ZINC000407986973 376060027 /nfs/dbraw/zinc/06/00/27/376060027.db2.gz BGSOUHVNRJHKSJ-NSHDSACASA-N 0 0 331.438 -0.357 10 0 EBAERN CC(=O)N[C@@H]1[C@H](OC(C)=O)O[C@@H](COC(C)=O)[C@@H](F)[C@H]1OC(C)=O ZINC000022046719 376244453 /nfs/dbraw/zinc/24/44/53/376244453.db2.gz AUCRVLBGFFSCPW-MEBFFEOJSA-N 0 0 349.311 -0.388 10 0 EBAERN C[C@H](O)CN1CCN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC000408015706 376281346 /nfs/dbraw/zinc/28/13/46/376281346.db2.gz 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ZINC000408050107 376297643 /nfs/dbraw/zinc/29/76/43/376297643.db2.gz HSDCGSWYLYCZPI-INIZCTEOSA-N 0 0 327.425 -0.413 10 0 EBAERN CC[C@@H](NC(=O)[C@]1(O)CCCN(C(C)=O)C1)C(=O)N1CCOCC1 ZINC000408054419 376298702 /nfs/dbraw/zinc/29/87/02/376298702.db2.gz RYMCTMQJBQNFBS-CJNGLKHVSA-N 0 0 341.408 -0.887 10 0 EBAERN CC(=O)N1CCC[C@@](O)(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC000408055235 376299496 /nfs/dbraw/zinc/29/94/96/376299496.db2.gz XBYHZVJTPPNMEN-WBMJQRKESA-N 0 0 325.409 -0.125 10 0 EBAERN C[C@H]1OCCN(C(=O)C2CCN(C(=O)N(C)C)CC2)[C@@H]1C(N)=O ZINC000408058983 376300951 /nfs/dbraw/zinc/30/09/51/376300951.db2.gz AYDQFUCCQFVQGW-PWSUYJOCSA-N 0 0 326.397 -0.519 10 0 EBAERN CC(=O)N1CCC[C@@](O)(C(=O)N(C)CCN2CCOC(C)(C)C2)C1 ZINC000408057991 376301755 /nfs/dbraw/zinc/30/17/55/376301755.db2.gz CSACQJCTIXNSFK-KRWDZBQOSA-N 0 0 341.452 -0.071 10 0 EBAERN CNS(=O)(=O)NCC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1OC ZINC000408064935 376302604 /nfs/dbraw/zinc/30/26/04/376302604.db2.gz MPROZDJPSSOLRO-UTUOFQBUSA-N 0 0 335.426 -0.917 10 0 EBAERN CCN1CCOC[C@@H]1C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000408103569 376369732 /nfs/dbraw/zinc/36/97/32/376369732.db2.gz MXSGLWXNNOGQSW-CHWSQXEVSA-N 0 0 333.454 -0.364 10 0 EBAERN Cc1ncncc1C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000408126165 376379132 /nfs/dbraw/zinc/37/91/32/376379132.db2.gz KLQQPEKTSAFZHV-CQSZACIVSA-N 0 0 347.419 -0.210 10 0 EBAERN COC(C)(C)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000408126773 376379633 /nfs/dbraw/zinc/37/96/33/376379633.db2.gz RTIKYHVLIKKVNJ-CYBMUJFWSA-N 0 0 327.425 -0.197 10 0 EBAERN CC[C@H](O)CN1CCN(S(=O)(=O)N2CCOC(C)(C)C2)CC1 ZINC000408153801 376386844 /nfs/dbraw/zinc/38/68/44/376386844.db2.gz FWCUXUULDATATN-ZDUSSCGKSA-N 0 0 335.470 -0.270 10 0 EBAERN COC(=O)C1CCN(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000408158093 376390941 /nfs/dbraw/zinc/39/09/41/376390941.db2.gz ARWMZWZTNJSSFR-GFCCVEGCSA-N 0 0 347.437 -0.331 10 0 EBAERN C[C@H]1[C@@H](C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1(F)F ZINC000408232399 376435730 /nfs/dbraw/zinc/43/57/30/376435730.db2.gz SYVRFXJGDAQYMQ-AAEUAGOBSA-N 0 0 331.363 -0.109 10 0 EBAERN O=C(C(=O)N1CCN(c2cncc3nncn32)CC1)N1CCCC1 ZINC000408173861 376449874 /nfs/dbraw/zinc/44/98/74/376449874.db2.gz DTIKTPGFEXTWIO-UHFFFAOYSA-N 0 0 329.364 -0.605 10 0 EBAERN CN1CCO[C@@H](CNC(=O)NCC(=O)NCCc2ccccc2)C1 ZINC000104798926 376560357 /nfs/dbraw/zinc/56/03/57/376560357.db2.gz FQONAZNQPZJUEJ-HNNXBMFYSA-N 0 0 334.420 -0.025 10 0 EBAERN Cn1cc(CN2CCC[N@H+](CCCN3C(=O)CNC3=O)CC2)cn1 ZINC000105869959 376569886 /nfs/dbraw/zinc/56/98/86/376569886.db2.gz GXEHPAAPHXXVDM-UHFFFAOYSA-N 0 0 334.424 -0.130 10 0 EBAERN COC(=O)CNC(=O)CN1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000105916699 376572270 /nfs/dbraw/zinc/57/22/70/376572270.db2.gz CBVCMQGPUFDXEH-UHFFFAOYSA-N 0 0 337.424 -0.556 10 0 EBAERN COC(=O)C1CCN(S(=O)(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000408218704 376651429 /nfs/dbraw/zinc/65/14/29/376651429.db2.gz JOIWEJABCQUSMV-VXGBXAGGSA-N 0 0 345.421 -0.673 10 0 EBAERN CC[C@@H](NC(=O)N1CCC[C@@H](NC(C)=O)C1)C(=O)N1CCOCC1 ZINC000408418766 376730035 /nfs/dbraw/zinc/73/00/35/376730035.db2.gz BWVSZNSVJVWWRJ-ZIAGYGMSSA-N 0 0 340.424 -0.066 10 0 EBAERN O=C(Cn1nnc2ccccc2c1=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408245157 376774670 /nfs/dbraw/zinc/77/46/70/376774670.db2.gz FMZUTZHICKYDPN-KRWDZBQOSA-N 0 0 341.371 -0.080 10 0 EBAERN CC1(C)CN(CC(=O)N2CCC[C@@H](C(N)=O)C2)CCS1(=O)=O ZINC000408247830 376779556 /nfs/dbraw/zinc/77/95/56/376779556.db2.gz YWBBFTPJJADLOY-LLVKDONJSA-N 0 0 331.438 -0.781 10 0 EBAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000408295486 376838540 /nfs/dbraw/zinc/83/85/40/376838540.db2.gz UVGCVNMDKGFDGM-SECBINFHSA-N 0 0 329.378 -0.120 10 0 EBAERN O=S(=O)(Cc1ccccc1F)NC[C@@H](O)CN1CCOCC1 ZINC000126332971 376850875 /nfs/dbraw/zinc/85/08/75/376850875.db2.gz GJDLTQBJVVEAKO-CYBMUJFWSA-N 0 0 332.397 -0.062 10 0 EBAERN CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO[C@H]2C)CC1 ZINC000408330861 376862645 /nfs/dbraw/zinc/86/26/45/376862645.db2.gz 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ZINC000332896598 377339648 /nfs/dbraw/zinc/33/96/48/377339648.db2.gz RHONVFCDIAIQFI-FIQHERPVSA-N 0 0 343.409 -0.565 10 0 EBAERN COCCN1CCN([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C[C@H]1C ZINC000105833488 377367428 /nfs/dbraw/zinc/36/74/28/377367428.db2.gz MXJCCTCUOVPHBJ-KGLIPLIRSA-N 0 0 340.468 -0.236 10 0 EBAERN COCCN1CCN(CC(=O)NCC(=O)N2CCCC2)C[C@H]1C ZINC000105833345 377369850 /nfs/dbraw/zinc/36/98/50/377369850.db2.gz LOENTOKIDUJDCH-CQSZACIVSA-N 0 0 326.441 -0.623 10 0 EBAERN Cc1noc([C@@H](C)N2CCN(C(=O)N[C@H]3CCN(C)C3=O)CC2)n1 ZINC000163824938 377374455 /nfs/dbraw/zinc/37/44/55/377374455.db2.gz MSNVAWGNDGYWEF-PWSUYJOCSA-N 0 0 336.396 -0.003 10 0 EBAERN Cc1cc(C(=O)N2CC(NC(=O)C3CC3)C2)c2c(=O)[nH]n(C)c2n1 ZINC000189415462 377455895 /nfs/dbraw/zinc/45/58/95/377455895.db2.gz YBJJHJDSGCKCLL-UHFFFAOYSA-N 0 0 329.360 -0.079 10 0 EBAERN O=C1CCCCC(=O)NCCNC(=O)CCCCC(=O)NCCN1 ZINC000196440390 377885434 /nfs/dbraw/zinc/88/54/34/377885434.db2.gz LCKFLMIWVFUGCD-UHFFFAOYSA-N 0 0 340.424 -0.414 10 0 EBAERN C[C@H]1CN(C(=O)NCCN2CCOC(C)(C)C2)C[C@H](C(N)=O)O1 ZINC000623722208 378557930 /nfs/dbraw/zinc/55/79/30/378557930.db2.gz FYCLNYCWVUWYJK-NWDGAFQWSA-N 0 0 328.413 -0.619 10 0 EBAERN CN(C(=S)N[C@H]1C=CS(=O)(=O)C1)[C@@]1(C)CCS(=O)(=O)C1 ZINC000002390875 379354114 /nfs/dbraw/zinc/35/41/14/379354114.db2.gz GYQJHIXANISEDT-ONGXEEELSA-N 0 0 338.476 -0.319 10 0 EBAERN COC(=O)[C@@H]1O[C@@H](Oc2ccc(NC(C)=O)cc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC000005976289 379363688 /nfs/dbraw/zinc/36/36/88/379363688.db2.gz PBCDFJAIFOUUBQ-NLRWUALESA-N 0 0 341.316 -0.996 10 0 EBAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000270144223 379434316 /nfs/dbraw/zinc/43/43/16/379434316.db2.gz UDCYOHJIMQTIHQ-VXGBXAGGSA-N 0 0 348.407 -0.165 10 0 EBAERN C[C@H]1OCC[C@H]1NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000270606272 379461012 /nfs/dbraw/zinc/46/10/12/379461012.db2.gz GVLXNHJURPTWOO-GMSGAONNSA-N 0 0 340.361 -0.510 10 0 EBAERN C[C@H]1OCC[C@@H]1NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000270606284 379462880 /nfs/dbraw/zinc/46/28/80/379462880.db2.gz GVLXNHJURPTWOO-XCBNKYQSSA-N 0 0 340.361 -0.510 10 0 EBAERN CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@@H]2OC(=O)O[C@H]2[C@@H]1OC(C)=O ZINC000022053963 379551418 /nfs/dbraw/zinc/55/14/18/379551418.db2.gz YVYSWHGJPLCVAV-MJDLHHQISA-N 0 0 332.261 -0.327 10 0 EBAERN C[C@@H](CNC(=O)NC[C@H](C)N1CCOCC1)CN1CCOCC1 ZINC000156268341 379525076 /nfs/dbraw/zinc/52/50/76/379525076.db2.gz ZKNPAXAETTXVLT-GJZGRUSLSA-N 0 0 328.457 -0.025 10 0 EBAERN Cc1cccc2nc(CN3CCN4C(=O)C(=O)NC[C@H]4C3)cc(=O)n12 ZINC000152668361 379594441 /nfs/dbraw/zinc/59/44/41/379594441.db2.gz OHSBWSSQPCMUBD-ZDUSSCGKSA-N 0 0 341.371 -0.854 10 0 EBAERN COC(=O)C1CCN(C(=O)[C@H](C)N2C[C@H]3OCCN(C)[C@H]3C2)CC1 ZINC000352028128 379650274 /nfs/dbraw/zinc/65/02/74/379650274.db2.gz OLUZJRRXFBWESG-AEGPPILISA-N 0 0 339.436 -0.199 10 0 EBAERN Cc1ccn(C[C@@](C)(O)C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c(=O)c1 ZINC000378044002 379831731 /nfs/dbraw/zinc/83/17/31/379831731.db2.gz HCSLMINPXWKSHJ-JJRVBVJISA-N 0 0 335.404 -0.551 10 0 EBAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000278332754 379920136 /nfs/dbraw/zinc/92/01/36/379920136.db2.gz ZNECFLMLLVGTHK-SMDDNHRTSA-N 0 0 344.437 -0.226 10 0 EBAERN Cn1ccnc(N2CCC[C@@H](NS(=O)(=O)N3CCCC3)C2)c1=O ZINC000278852237 379934924 /nfs/dbraw/zinc/93/49/24/379934924.db2.gz LCFSTTAUDLOITR-GFCCVEGCSA-N 0 0 341.437 -0.321 10 0 EBAERN Cn1ccnc(N2CCC[C@H](NC(=O)[C@]3(C)CCC(=O)NC3)C2)c1=O ZINC000282526144 380081318 /nfs/dbraw/zinc/08/13/18/380081318.db2.gz YLWGXZDTJZKFJQ-YVEFUNNKSA-N 0 0 347.419 -0.218 10 0 EBAERN Cn1ncc(NC2CCN(CC(N)=O)CC2)c(Br)c1=O ZINC000134572830 380139225 /nfs/dbraw/zinc/13/92/25/380139225.db2.gz KZFRHYAONKDLCH-UHFFFAOYSA-N 0 0 344.213 -0.096 10 0 EBAERN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)o1 ZINC000284150439 380166006 /nfs/dbraw/zinc/16/60/06/380166006.db2.gz QHHHHBLRVUVXBP-MNOVXSKESA-N 0 0 343.405 -0.267 10 0 EBAERN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)o1 ZINC000284150434 380166378 /nfs/dbraw/zinc/16/63/78/380166378.db2.gz QHHHHBLRVUVXBP-GHMZBOCLSA-N 0 0 343.405 -0.267 10 0 EBAERN CN1CCN(C2CCN(C(=O)[C@@]3(O)CCSC3)CC2)C(=O)C1 ZINC000371651381 380665598 /nfs/dbraw/zinc/66/55/98/380665598.db2.gz PBRPMKOTVPQTMS-OAHLLOKOSA-N 0 0 327.450 -0.381 10 0 EBAERN Cn1ccnc1[C@@H]1CN(c2ncccc2S(N)(=O)=O)CCN1C ZINC000373666134 380759292 /nfs/dbraw/zinc/75/92/92/380759292.db2.gz DWBZDUZCOWWCIF-NSHDSACASA-N 0 0 336.421 -0.044 10 0 EBAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C[C@H](O)CN2CCOCC2)C1 ZINC000189352229 380902890 /nfs/dbraw/zinc/90/28/90/380902890.db2.gz XWPQEZWRQDKDNH-HZSPNIEDSA-N 0 0 326.397 -0.167 10 0 EBAERN COCCN1CCN(CC(=O)N2CCC[C@H](C(N)=O)C2)C[C@@H]1C ZINC000105832617 380982909 /nfs/dbraw/zinc/98/29/09/380982909.db2.gz ZWQVZMPSFAEJKQ-KBPBESRZSA-N 0 0 326.441 -0.637 10 0 EBAERN COC(=O)/C1=C/CC[C@@]2(C)O[C@H]2[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@H](O)[C@@H]1O ZINC000106803379 381252212 /nfs/dbraw/zinc/25/22/12/381252212.db2.gz ADBCGKHTYGFGKL-QICSHQSQSA-N 0 0 326.345 -0.063 10 0 EBAERN CS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000112651069 381255270 /nfs/dbraw/zinc/25/52/70/381255270.db2.gz DOCFSRKBZLGZDC-WDEREUQCSA-N 0 0 327.410 -0.619 10 0 EBAERN CCCCS(=O)(=O)N[C@@H](C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112654102 381256217 /nfs/dbraw/zinc/25/62/17/381256217.db2.gz UQJYQSKGPVKYAP-QWRGUYRKSA-N 0 0 329.426 -0.183 10 0 EBAERN C[C@]12CCC(=O)N1[C@@H](C(=O)NC[C@H](O)CN1CCOCC1)CS2 ZINC000332843615 381269790 /nfs/dbraw/zinc/26/97/90/381269790.db2.gz MAAHRKOLDFQNHL-ZOWXZIJZSA-N 0 0 343.449 -0.750 10 0 EBAERN CN(CC(=O)NC[C@@H]1CN(C2CC2)CCO1)c1ncnc2nc[nH]c21 ZINC000127604523 381291469 /nfs/dbraw/zinc/29/14/69/381291469.db2.gz KQWFVFXIZOOUIC-GFCCVEGCSA-N 0 0 345.407 -0.232 10 0 EBAERN Cn1nccc1N1CCC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000332927728 381272213 /nfs/dbraw/zinc/27/22/13/381272213.db2.gz KVTNDRLXUYTBAW-VXGBXAGGSA-N 0 0 326.422 -0.060 10 0 EBAERN O=C(C1=NN(CCO)C(=O)CC1)N1CCN[C@H](c2ccncc2)C1 ZINC000367087627 381457695 /nfs/dbraw/zinc/45/76/95/381457695.db2.gz YPCXZBDJLLRCCS-AWEZNQCLSA-N 0 0 331.376 -0.475 10 0 EBAERN CN1CCN(C(=O)CC2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)CC1 ZINC000066858294 381596831 /nfs/dbraw/zinc/59/68/31/381596831.db2.gz XSOPDIXHGDBSDN-CQSZACIVSA-N 0 0 336.436 -0.332 10 0 EBAERN Cn1nccc1[C@@H]1OCC[C@H]1CNS(=O)(=O)N1CCOCC1 ZINC000333241987 381899172 /nfs/dbraw/zinc/89/91/72/381899172.db2.gz WOLJQAAFYACWAW-WCQYABFASA-N 0 0 330.410 -0.336 10 0 EBAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CCC[C@H](n2ccnn2)C1 ZINC000333246000 381900886 /nfs/dbraw/zinc/90/08/86/381900886.db2.gz FSPUYQXOBRFHTO-RWMBFGLXSA-N 0 0 332.368 -0.144 10 0 EBAERN Cc1nc2cncc(N3CCN(C(=O)[C@@H]4CNC(=O)C4)CC3)n2n1 ZINC000333122511 381891473 /nfs/dbraw/zinc/89/14/73/381891473.db2.gz HIYINULUIVAYBL-NSHDSACASA-N 0 0 329.364 -0.783 10 0 EBAERN C[C@@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)C[C@H]1N1CCOCC1 ZINC000267558872 382015900 /nfs/dbraw/zinc/01/59/00/382015900.db2.gz UKHAYKCCXVPLBM-GHMZBOCLSA-N 0 0 348.407 -0.471 10 0 EBAERN Cc1cc(N2CC[C@@H](NC(=O)N3CCO[C@H](CO)C3)C2=O)n(C)n1 ZINC000267768611 382044578 /nfs/dbraw/zinc/04/45/78/382044578.db2.gz XEYVEZPOOSGCLV-NWDGAFQWSA-N 0 0 337.380 -0.763 10 0 EBAERN CN(CC(=O)N1CCN(S(N)(=O)=O)CC1)Cc1ccccc1 ZINC000110686061 382115945 /nfs/dbraw/zinc/11/59/45/382115945.db2.gz WZJXEEZOZGFFFY-UHFFFAOYSA-N 0 0 326.422 -0.534 10 0 EBAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N[C@@H]1CCc2ncnn2C1 ZINC000112659378 382119778 /nfs/dbraw/zinc/11/97/78/382119778.db2.gz IQQGCFSSOLANMV-UTUOFQBUSA-N 0 0 331.376 -0.116 10 0 EBAERN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCO[C@@H](CO)C1)C2=O ZINC000408370717 296347055 /nfs/dbraw/zinc/34/70/55/296347055.db2.gz OPOCIJQQSIXINU-XHBSWPGZSA-N 0 0 339.392 -0.293 10 0 EBAERN C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCOC[C@@H]1C(N)=O ZINC000367447431 296355891 /nfs/dbraw/zinc/35/58/91/296355891.db2.gz BPWCVIPRBLBFSZ-IJLUTSLNSA-N 0 0 326.397 -0.423 10 0 EBAERN COC[C@H]1CCS(=O)(=O)C12CN(S(=O)(=O)c1cccnc1)C2 ZINC000247824273 257678179 /nfs/dbraw/zinc/67/81/79/257678179.db2.gz FCDVLMYBSASXDW-LLVKDONJSA-N 0 0 346.430 -0.094 10 0 EBAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000318503062 155176692 /nfs/dbraw/zinc/17/66/92/155176692.db2.gz JNUBTPLKJHJEMC-HBNTYKKESA-N 0 0 331.394 -0.633 10 0 EBAERN Cn1cc(N2CC[C@H](N3CCO[C@@H](Cn4cncn4)C3)C2=O)cn1 ZINC000328667816 155186862 /nfs/dbraw/zinc/18/68/62/155186862.db2.gz LBHARFNDIOYDMW-KGLIPLIRSA-N 0 0 331.380 -0.482 10 0 EBAERN COCCn1cc(S(=O)(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)cn1 ZINC000328850057 155192310 /nfs/dbraw/zinc/19/23/10/155192310.db2.gz BKYNYQMQHOCFIA-UONOGXRCSA-N 0 0 344.437 -0.377 10 0 EBAERN Cc1nc(C)n(C[C@H]2CN(C(=O)[C@]3(O)CCSC3)CCO2)n1 ZINC000328940456 155196444 /nfs/dbraw/zinc/19/64/44/155196444.db2.gz DYVQCXXTLMYRAI-OCCSQVGLSA-N 0 0 326.422 -0.010 10 0 EBAERN Cn1cnn(-c2ccc(NC(=O)N3CCO[C@@H](CO)C3)cc2)c1=O ZINC000329115938 155206467 /nfs/dbraw/zinc/20/64/67/155206467.db2.gz NDLSOWHCJYLKMS-CYBMUJFWSA-N 0 0 333.348 -0.204 10 0 EBAERN O=C(CN1CCc2cncnc2C1)N1CCN(C(=O)C2CC2)CC1 ZINC000329143881 155208721 /nfs/dbraw/zinc/20/87/21/155208721.db2.gz MMKYXCUZNIALPY-UHFFFAOYSA-N 0 0 329.404 -0.085 10 0 EBAERN C[C@@H]1CN(C)CCN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000329288699 155218231 /nfs/dbraw/zinc/21/82/31/155218231.db2.gz QCKPEOHCFPKBBE-CABCVRRESA-N 0 0 338.452 -0.670 10 0 EBAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC000329626094 155233474 /nfs/dbraw/zinc/23/34/74/155233474.db2.gz TUJJTHFBSSCNAR-AWEZNQCLSA-N 0 0 333.436 -0.025 10 0 EBAERN O=C(CCn1nc2ccccn2c1=O)N1CCCS(=O)(=O)CC1 ZINC000329683855 155235463 /nfs/dbraw/zinc/23/54/63/155235463.db2.gz ZITFHSBFJJTCEJ-UHFFFAOYSA-N 0 0 338.389 -0.467 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN2CCOC[C@H]2C1 ZINC000329695187 155235492 /nfs/dbraw/zinc/23/54/92/155235492.db2.gz XIIKCGHSXKSWHF-ZIAGYGMSSA-N 0 0 345.465 -0.266 10 0 EBAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N[C@H]1CC(=O)N(C)C1 ZINC000330163045 155256994 /nfs/dbraw/zinc/25/69/94/155256994.db2.gz AQZUOLOAGYSRFF-QWHCGFSZSA-N 0 0 331.438 -0.072 10 0 EBAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N[C@@H]1CC(=O)N(C)C1=O ZINC000330206399 155258726 /nfs/dbraw/zinc/25/87/26/155258726.db2.gz FBZJECWASKYNCE-NWDGAFQWSA-N 0 0 345.421 -0.546 10 0 EBAERN C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)[C@@H]1CO ZINC000330187650 155258742 /nfs/dbraw/zinc/25/87/42/155258742.db2.gz TXWNOBBIVGDFMX-SYQHCUMBSA-N 0 0 326.393 -0.378 10 0 EBAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCN(Cc2cc(C)no2)CC1 ZINC000330255585 155260577 /nfs/dbraw/zinc/26/05/77/155260577.db2.gz BHGAQKSSCJIGSU-DZGCQCFKSA-N 0 0 336.392 -0.391 10 0 EBAERN Cn1c2ncn(CC(=O)NC[C@@H]3CCCC[C@@H]3O)c2c(=O)n(C)c1=O ZINC000155613049 154092719 /nfs/dbraw/zinc/09/27/19/154092719.db2.gz GXWTYGBCKVDNIB-QWRGUYRKSA-N 0 0 349.391 -0.899 10 0 EBAERN O=C(CNC(=O)N1CC[C@@H](N2CCOCC2)C1)NCC(F)(F)F ZINC000173788995 154100545 /nfs/dbraw/zinc/10/05/45/154100545.db2.gz IBJXUUYBMYVSCA-SNVBAGLBSA-N 0 0 338.330 -0.219 10 0 EBAERN O=C(CN1CCN(c2ccccn2)CC1)N[C@H]1CCc2ncnn2C1 ZINC000173549660 154100572 /nfs/dbraw/zinc/10/05/72/154100572.db2.gz SSNPFEFDZAJJPH-AWEZNQCLSA-N 0 0 341.419 -0.074 10 0 EBAERN CN1CCO[C@H](C(=O)N2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000175008227 154106169 /nfs/dbraw/zinc/10/61/69/154106169.db2.gz SZQCYWAEUUTGTI-LBPRGKRZSA-N 0 0 331.380 -0.897 10 0 EBAERN O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000178227350 154116031 /nfs/dbraw/zinc/11/60/31/154116031.db2.gz MNOUXSCDSCAUHT-TZMCWYRMSA-N 0 0 344.375 -0.113 10 0 EBAERN O=C(NCCCc1ccccc1)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000178973575 154123634 /nfs/dbraw/zinc/12/36/34/154123634.db2.gz UHGULCMCFKNNPO-INIZCTEOSA-N 0 0 330.432 -0.149 10 0 EBAERN COc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000178958655 154123652 /nfs/dbraw/zinc/12/36/52/154123652.db2.gz GKSKMODYSPUBSD-GFCCVEGCSA-N 0 0 336.367 -0.111 10 0 EBAERN Cc1cnn(C[C@@H]2CN(Cc3cn(C)c(=O)n(C)c3=O)CCO2)c1 ZINC000179536699 154124822 /nfs/dbraw/zinc/12/48/22/154124822.db2.gz WCJSMOBPBOKFKN-AWEZNQCLSA-N 0 0 333.392 -0.510 10 0 EBAERN Cc1cc(C)n(C[C@H]2CN(Cc3cn(C)c(=O)n(C)c3=O)CCO2)n1 ZINC000179538938 154124853 /nfs/dbraw/zinc/12/48/53/154124853.db2.gz MGMCWBZCIPYFTG-OAHLLOKOSA-N 0 0 347.419 -0.202 10 0 EBAERN Cn1ccc(CC(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)n1 ZINC000181754430 154130015 /nfs/dbraw/zinc/13/00/15/154130015.db2.gz DKCCXLNSLJIREG-ZDUSSCGKSA-N 0 0 326.422 -0.011 10 0 EBAERN O=C(CN1CCN(c2ccccn2)CC1)N1CC(NC(=O)C2CC2)C1 ZINC000189504947 154151886 /nfs/dbraw/zinc/15/18/86/154151886.db2.gz ALKVENLILWLNIY-UHFFFAOYSA-N 0 0 343.431 -0.059 10 0 EBAERN CCS(=O)(=O)N(C)CC(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189798721 154155071 /nfs/dbraw/zinc/15/50/71/154155071.db2.gz CSMZJSPXUYHUKP-UHFFFAOYSA-N 0 0 329.426 -0.352 10 0 EBAERN CCn1cc([C@@H]2CN(CC(=O)N[C@@H](C)C(=O)N(C)C)CCO2)cn1 ZINC000190764169 154155405 /nfs/dbraw/zinc/15/54/05/154155405.db2.gz XYOKUUKQUUJUOA-JSGCOSHPSA-N 0 0 337.424 -0.131 10 0 EBAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cc2ccccc2[nH]c1=O ZINC000192708057 154158949 /nfs/dbraw/zinc/15/89/49/154158949.db2.gz PUXGNUUCANEEHU-CYBMUJFWSA-N 0 0 331.372 -0.049 10 0 EBAERN C[C@@H]1CN(C(=O)c2cc(Br)nn2C)C[C@@H](C(N)=O)O1 ZINC000192165655 154159623 /nfs/dbraw/zinc/15/96/23/154159623.db2.gz JNLCFZKTKKCKBB-SVRRBLITSA-N 0 0 331.170 -0.103 10 0 EBAERN Cn1cc(S(=O)(=O)NCC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cn1 ZINC000195060227 154163810 /nfs/dbraw/zinc/16/38/10/154163810.db2.gz PBQMEBLFFWBQJR-LBPRGKRZSA-N 0 0 341.437 -0.605 10 0 EBAERN CC[N@@H+]1CCC[C@@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000194627705 154164026 /nfs/dbraw/zinc/16/40/26/154164026.db2.gz IZZXYSRTZKPFTM-LLVKDONJSA-N 0 0 348.407 -0.966 10 0 EBAERN C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@@H]2COCCN2)CC1 ZINC000237651013 154173927 /nfs/dbraw/zinc/17/39/27/154173927.db2.gz DPHQFTUOOMNEFP-CABCVRRESA-N 0 0 338.452 -0.480 10 0 EBAERN COCCN1CCN(CC(=O)N2CCC[C@@H](C(N)=O)C2)C[C@H]1C ZINC000247441132 154186921 /nfs/dbraw/zinc/18/69/21/154186921.db2.gz ZWQVZMPSFAEJKQ-ZIAGYGMSSA-N 0 0 326.441 -0.637 10 0 EBAERN Nc1ncnc2c1ncn2CC(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000268216449 154404830 /nfs/dbraw/zinc/40/48/30/154404830.db2.gz BJWUGFCNXWORKD-ZJUUUORDSA-N 0 0 329.364 -0.322 10 0 EBAERN CN1C[C@H](NC(=O)N[C@@H]2CCCN(c3ncc[nH]c3=O)C2)CC1=O ZINC000275743992 154663219 /nfs/dbraw/zinc/66/32/19/154663219.db2.gz QHRGYWLQDQOQLQ-GHMZBOCLSA-N 0 0 334.380 -0.319 10 0 EBAERN CC(=O)N1CCC[C@@](O)(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)C1 ZINC000284599179 154863869 /nfs/dbraw/zinc/86/38/69/154863869.db2.gz BNTAZQARBZFQBJ-PBHICJAKSA-N 0 0 347.419 -0.065 10 0 EBAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCC[C@H]1CC(=O)c1cnn(C)c1 ZINC000333396764 155510730 /nfs/dbraw/zinc/51/07/30/155510730.db2.gz DTRUXRBEZWXBNU-SOUVJXGZSA-N 0 0 348.403 -0.034 10 0 EBAERN CO[C@@H]1C[C@H](CO)N(C(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)C1 ZINC000345478027 156336139 /nfs/dbraw/zinc/33/61/39/156336139.db2.gz SMRYQXYBONLZOF-IJLUTSLNSA-N 0 0 339.392 -0.152 10 0 EBAERN Cc1nc(S(=O)(=O)NCC(=O)N2C[C@@H](C)O[C@H](C)C2)cn1C ZINC000356470563 157068432 /nfs/dbraw/zinc/06/84/32/157068432.db2.gz HRZLLNYPUFPHJZ-NXEZZACHSA-N 0 0 330.410 -0.357 10 0 EBAERN CCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2C(C)=O)C1 ZINC000357603877 157161593 /nfs/dbraw/zinc/16/15/93/157161593.db2.gz WWUCKJBUOIFEDV-MCIONIFRSA-N 0 0 325.409 -0.267 10 0 EBAERN CN(C)S(=O)(=O)CCNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000359796742 157342854 /nfs/dbraw/zinc/34/28/54/157342854.db2.gz XXFJFKRGDFMFOM-ZYHUDNBSSA-N 0 0 330.410 -0.495 10 0 EBAERN CC[C@@H](NC(=O)N1CCCNC(=O)[C@@H]1C)C(=O)N1CCOCC1 ZINC000364552677 157501033 /nfs/dbraw/zinc/50/10/33/157501033.db2.gz VPWSHUJSBPCTPF-NWDGAFQWSA-N 0 0 326.397 -0.456 10 0 EBAERN CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)[C@H]1C[C@H](O)CN1C(C)=O ZINC000368902393 157571015 /nfs/dbraw/zinc/57/10/15/157571015.db2.gz CJWTUYFGFKUYOK-FTYKPCCVSA-N 0 0 343.449 -0.216 10 0 EBAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC000370534298 157596748 /nfs/dbraw/zinc/59/67/48/157596748.db2.gz DQPVZPVTVNPIRN-BXUZGUMPSA-N 0 0 331.438 -0.169 10 0 EBAERN Cc1cc(N2CCC[C@H](NC(=O)[C@H]3CCNC(=O)C3)C2=O)n(C)n1 ZINC000407981785 157700899 /nfs/dbraw/zinc/70/08/99/157700899.db2.gz VOOZHDVFIPYYGF-RYUDHWBXSA-N 0 0 333.392 -0.134 10 0 EBAERN O=C(Cn1ccc(=O)[nH]c1=O)N1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408055155 157708601 /nfs/dbraw/zinc/70/86/01/157708601.db2.gz WILKMZKIRYNUDT-XQQFMLRXSA-N 0 0 337.376 -0.273 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CCN(C(N)=O)C1 ZINC000408166209 157714132 /nfs/dbraw/zinc/71/41/32/157714132.db2.gz PYOMKRTXDAEHFP-QWRGUYRKSA-N 0 0 332.426 -0.540 10 0 EBAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000408341195 157721785 /nfs/dbraw/zinc/72/17/85/157721785.db2.gz ZLCWQGHTPMPBFY-MNOVXSKESA-N 0 0 340.467 -0.245 10 0 EBAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000407988404 419129550 /nfs/dbraw/zinc/12/95/50/419129550.db2.gz COFDPKOJEWZNFQ-MNOVXSKESA-N 0 0 332.426 -0.670 10 0 EBAERN Cc1nc(C)n(C[C@@H]2CN(CC(=O)N3CCN(C)CC3)CCO2)n1 ZINC000408087373 419195537 /nfs/dbraw/zinc/19/55/37/419195537.db2.gz DBFDPORKGOCQGU-HNNXBMFYSA-N 0 0 336.440 -0.630 10 0 EBAERN CN1CCS(=O)(=O)C[C@H]1CC(=O)N1CC(=O)Nc2cnccc21 ZINC000644372309 419154563 /nfs/dbraw/zinc/15/45/63/419154563.db2.gz CJPWKUIGSPUNOS-SNVBAGLBSA-N 0 0 338.389 -0.514 10 0 EBAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000408077808 419190494 /nfs/dbraw/zinc/19/04/94/419190494.db2.gz CLYNCHYBDOTURG-CHWSQXEVSA-N 0 0 348.407 -0.059 10 0 EBAERN CCS(=O)(=O)NCCCNS(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000408236998 419244089 /nfs/dbraw/zinc/24/40/89/419244089.db2.gz RFDKFHADXXYWGD-GHMZBOCLSA-N 0 0 343.471 -0.741 10 0 EBAERN COCCN1CCN(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)C[C@@H]1C ZINC000408237701 419244282 /nfs/dbraw/zinc/24/42/82/419244282.db2.gz ROQMMMUGHXEEQI-MJBXVCDLSA-N 0 0 335.470 -0.007 10 0 EBAERN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NS(=O)(=O)N1CCOCC1 ZINC000408242494 419245291 /nfs/dbraw/zinc/24/52/91/419245291.db2.gz VEXHJUHSRSKGJG-MNOVXSKESA-N 0 0 341.455 -0.987 10 0 EBAERN C[C@@H]1CCN(C(=O)COCC(=O)N2CC[C@H](C)[C@@H](O)C2)C[C@@H]1O ZINC000408093837 419202576 /nfs/dbraw/zinc/20/25/76/419202576.db2.gz DQORTAWRPMNLCI-CRWXNKLISA-N 0 0 328.409 -0.538 10 0 EBAERN C[C@@H]1CCN(C(=O)COCC(=O)N2CC[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000408093840 419202661 /nfs/dbraw/zinc/20/26/61/419202661.db2.gz DQORTAWRPMNLCI-XJFOESAGSA-N 0 0 328.409 -0.538 10 0 EBAERN COC1(C)CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C1 ZINC000408128158 419212955 /nfs/dbraw/zinc/21/29/55/419212955.db2.gz IBKFZCMANFJXNW-UHFFFAOYSA-N 0 0 343.405 -0.104 10 0 EBAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](S(N)(=O)=O)C2)[C@H](C)CO1 ZINC000408146831 419213117 /nfs/dbraw/zinc/21/31/17/419213117.db2.gz VSUCIXSHTBJGFU-MXWKQRLJSA-N 0 0 341.455 -0.907 10 0 EBAERN CCN(C(=O)CN1CC[S@](=O)[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000408211205 419241325 /nfs/dbraw/zinc/24/13/25/419241325.db2.gz NFXXCFUKDHNDHT-JGRMJRGVSA-N 0 0 336.479 -0.525 10 0 EBAERN CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3COCCN3)CC2)C1 ZINC000178884295 419777717 /nfs/dbraw/zinc/77/77/17/419777717.db2.gz DQXKXJRGVBTRFC-CVEARBPZSA-N 0 0 340.468 -0.772 10 0 EBAERN O=C(CCNC(=O)[C@@H]1CNC(=O)C1)N1CCN(c2ccccc2)CC1 ZINC000194780792 420722018 /nfs/dbraw/zinc/72/20/18/420722018.db2.gz IWMNOIBLXMYOEC-AWEZNQCLSA-N 0 0 344.415 -0.022 10 0 EBAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)N[C@H]2CCC(=O)N(C)C2)C1 ZINC000372070128 420734605 /nfs/dbraw/zinc/73/46/05/420734605.db2.gz KNPLAUIRNWFQGP-RYUDHWBXSA-N 0 0 346.453 -0.281 10 0 EBAERN Cc1cc(=O)oc2cc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc12 ZINC000065747722 420906420 /nfs/dbraw/zinc/90/64/20/420906420.db2.gz YUDPTGPSBJVHCN-TXUJKZCJSA-N 0 0 338.312 -0.720 10 0 in-vitro EBAERN CC(C)Oc1ccc(NC(=O)N2CC[C@@]3(C2)NC(=O)N(C)C3=O)nn1 ZINC000375485820 421221717 /nfs/dbraw/zinc/22/17/17/421221717.db2.gz LGMZKCKXOVLYMU-HNNXBMFYSA-N 0 0 348.363 0.422 10 0 EBAERN CCS(=O)(=O)NCCCNS(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000408236999 264689214 /nfs/dbraw/zinc/68/92/14/264689214.db2.gz RFDKFHADXXYWGD-MNOVXSKESA-N 0 0 343.471 -0.741 10 0 EBAERN CC(=O)NC1CN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000276122262 278091022 /nfs/dbraw/zinc/09/10/22/278091022.db2.gz GYNJQGFJUARRKT-LSDHHAIUSA-N 0 0 335.404 -0.226 10 0 EBAERN CC(C)C[C@H](CNS(=O)(=O)N1CCOCC1)N1CCOCC1 ZINC000408115578 279163772 /nfs/dbraw/zinc/16/37/72/279163772.db2.gz LGEDRHZRDXJKOI-CQSZACIVSA-N 0 0 335.470 -0.100 10 0 EBAERN NC(=O)[C@H]1COCCN1C(=O)Cn1cc(Br)ccc1=O ZINC000091784867 295158095 /nfs/dbraw/zinc/15/80/95/295158095.db2.gz QBDNLJIDCBLGJQ-SECBINFHSA-N 0 0 344.165 -0.677 10 0 EBAERN CCc1nc2n(n1)C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 ZINC000114866975 522526936 /nfs/dbraw/zinc/52/69/36/522526936.db2.gz AYEVMCCKAPSUMV-LLVKDONJSA-N 0 0 341.437 -0.998 10 0 EBAERN Cc1ccc(-n2cc(C(=O)NC[C@@H](O)CN3CCOCC3)nn2)cc1 ZINC000121246935 525907992 /nfs/dbraw/zinc/90/79/92/525907992.db2.gz AFDDOPGFNNQVCF-OAHLLOKOSA-N 0 0 345.403 -0.001 10 0 EBAERN CC(C)=CC[C@H](O)/C(C)=C/CO[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257509583 535371591 /nfs/dbraw/zinc/37/15/91/535371591.db2.gz PBPYEEMQIFDGSQ-XBQYCGNKSA-N 0 0 332.393 -0.534 10 0 EBAERN Cn1cc(N2CC[C@@H](NC(=O)N[C@H]3CCc4ncnn4C3)C2=O)cn1 ZINC000332872856 545848685 /nfs/dbraw/zinc/84/86/85/545848685.db2.gz PJDIILGGSQJBJQ-CMPLNLGQSA-N 0 0 344.379 -0.569 10 0 EBAERN O=S(=O)(Cc1ccc(F)cc1)NC[C@H](O)CN1CCOCC1 ZINC000156004014 545989356 /nfs/dbraw/zinc/98/93/56/545989356.db2.gz GMDMZJZGVFCHCZ-AWEZNQCLSA-N 0 0 332.397 -0.062 10 0 EBAERN C[C@@H](C(=O)NCCNS(C)(=O)=O)N1C(=O)c2ccccc2C1=O ZINC000169912270 546411355 /nfs/dbraw/zinc/41/13/55/546411355.db2.gz CGCWFHOJENGIEF-VIFPVBQESA-N 0 0 339.373 -0.664 10 0 EBAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000177686027 546413299 /nfs/dbraw/zinc/41/32/99/546413299.db2.gz PYIRAGJTOFHCJS-QWRGUYRKSA-N 0 0 327.410 -0.038 10 0 EBAERN O=C(NC[C@H](O)CN1CCOCC1)c1c[nH]c(=O)c2ccccc12 ZINC000189404656 546414371 /nfs/dbraw/zinc/41/43/71/546414371.db2.gz FYADAEMAAJIAQE-LBPRGKRZSA-N 0 0 331.372 -0.049 10 0 EBAERN Cn1cnc(C(=O)N[C@@H]2CCCC[C@@H]2Cc2nn(C)c(=O)n2C)n1 ZINC000888098294 582605334 /nfs/dbraw/zinc/60/53/34/582605334.db2.gz DRXQCBRKYCQJKT-GHMZBOCLSA-N 0 0 333.396 -0.221 10 0 EBAERN CC(=O)N1CC(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)C1 ZINC000886027259 584655568 /nfs/dbraw/zinc/65/55/68/584655568.db2.gz QATLOXOTWPSAAJ-GJZGRUSLSA-N 0 0 335.408 -0.614 10 0 EBAERN Cn1cc(C(=O)N2CCN([C@]3(C(N)=O)CCOC3)CC2)c(C2CC2)n1 ZINC000886077576 584655882 /nfs/dbraw/zinc/65/58/82/584655882.db2.gz LGEKYAXRBFFZPJ-QGZVFWFLSA-N 0 0 347.419 -0.300 10 0 EBAERN NC(=O)CNC(=O)CCn1c2ccccc2nc(N2CCCC2)c1=O ZINC000222891267 649983059 /nfs/dbraw/zinc/98/30/59/649983059.db2.gz LLARPKTZXFELPS-UHFFFAOYSA-N 0 0 343.387 -0.012 10 0 EBAERN Cc1c(CC(=O)N2CCN(c3ncccn3)CC2)ncn(C)c1=O ZINC000222945364 649983536 /nfs/dbraw/zinc/98/35/36/649983536.db2.gz IGNDOTRSUQYBAO-UHFFFAOYSA-N 0 0 328.376 -0.230 10 0 EBAERN CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccc(C)c(C)c1 ZINC000247920471 649983856 /nfs/dbraw/zinc/98/38/56/649983856.db2.gz GYWQOXBLTPBTIU-OLMNGRFOSA-N 0 0 325.361 -0.374 10 0 EBAERN COC(=O)c1coc(S(=O)(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c1 ZINC000407981439 650008177 /nfs/dbraw/zinc/00/81/77/650008177.db2.gz UGHFJINPNFJPMG-GHMZBOCLSA-N 0 0 330.362 -0.230 10 0 EBAERN CNC(=O)[C@@]1(COC)CCCN1S(=O)(=O)c1c(C)cnn1C ZINC000643704135 650026568 /nfs/dbraw/zinc/02/65/68/650026568.db2.gz KWHYCLPFSLYYAN-ZDUSSCGKSA-N 0 0 330.410 -0.356 10 0 EBAERN CCn1cc(S(=O)(=O)N2CCC[C@@]2(COC)C(=O)NC)cn1 ZINC000643705194 650026637 /nfs/dbraw/zinc/02/66/37/650026637.db2.gz LNLBPSOSHZMWSP-CYBMUJFWSA-N 0 0 330.410 -0.181 10 0 EBAERN CC(=O)N(C)CC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702803685 650035536 /nfs/dbraw/zinc/03/55/36/650035536.db2.gz DHEFSRQJSOKPNL-VXGBXAGGSA-N 0 0 329.397 -0.191 10 0 EBAERN C[C@H](NC(N)=O)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702811702 650035667 /nfs/dbraw/zinc/03/56/67/650035667.db2.gz ZZYZBDMHPIYPMT-GUBZILKMSA-N 0 0 330.385 -0.613 10 0 EBAERN CN(C[C@H]1CCc2nccn2C1)C(=O)C1CN(S(C)(=O)=O)C1 ZINC000907570104 650085927 /nfs/dbraw/zinc/08/59/27/650085927.db2.gz QHVMNPARCFHKOW-LLVKDONJSA-N 0 0 326.422 -0.205 10 0 EBAERN C/C(=C\C(=O)N1CCC[C@@](O)(c2cn[nH]n2)C1)CN1CCOCC1 ZINC000908097660 650096470 /nfs/dbraw/zinc/09/64/70/650096470.db2.gz SWZRBHKGCXMHQZ-WQMJKPAKSA-N 0 0 335.408 -0.107 10 0 EBAERN CC(=O)n1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c2ccccc21 ZINC000015205849 201952794 /nfs/dbraw/zinc/95/27/94/201952794.db2.gz BVTHTINNTYALID-OXGONZEZSA-N 0 0 337.328 -0.520 10 0 EBAERN C[C@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)C[C@@H]1N1CCOCC1 ZINC000267558878 290905492 /nfs/dbraw/zinc/90/54/92/290905492.db2.gz UKHAYKCCXVPLBM-QWRGUYRKSA-N 0 0 348.407 -0.471 10 0 EBAERN Cc1cccc2oc(=O)cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c12 ZINC000003645200 290951357 /nfs/dbraw/zinc/95/13/57/290951357.db2.gz DXBGTODWNFZHCD-URXAQBOPSA-N 0 0 338.312 -0.720 10 0 biogenic,in-vitro EBAERN C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])Cc1cccc(F)c1)C(=O)[O-] ZINC000029410327 202187318 /nfs/dbraw/zinc/18/73/18/202187318.db2.gz DYJPZEILSXWEAK-AUTRQRHGSA-N 0 0 325.340 -0.211 10 0 EBAERN CC(C)c1nc2ccccc2c(N[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)n1 ZINC000032545434 202227612 /nfs/dbraw/zinc/22/76/12/202227612.db2.gz KQGNZUFRFWGQMO-RFJMFJJWSA-N 0 0 349.387 -0.035 10 0 EBAERN Cn1cnc(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)c1Cl ZINC000037984329 202382860 /nfs/dbraw/zinc/38/28/60/202382860.db2.gz AZHPTZYYCTZCAQ-SSDOTTSWSA-N 0 0 327.815 -0.214 10 0 EBAERN Cn1c(-c2ccc(S(N)(=O)=O)cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000006057251 201672321 /nfs/dbraw/zinc/67/23/21/201672321.db2.gz DDFVXPNYCNTGTD-UHFFFAOYSA-N 0 0 335.345 -0.725 10 0 EBAERN Cc1cc(C)n(CCNC(=O)C[C@H]2C(=O)NCCN2C(C)C)c(=O)n1 ZINC000072135259 203166906 /nfs/dbraw/zinc/16/69/06/203166906.db2.gz USVZAILAIWNQPV-AWEZNQCLSA-N 0 0 349.435 -0.425 10 0 EBAERN CCOC(=O)c1ccc(N[C@@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1 ZINC000095921667 203769855 /nfs/dbraw/zinc/76/98/55/203769855.db2.gz QPYPPHVWJURKPP-CXTNEJHOSA-N 0 0 327.333 -0.923 10 0 EBAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000067626867 375868048 /nfs/dbraw/zinc/86/80/48/375868048.db2.gz UPFZMQQOLQURCL-OLZOCXBDSA-N 0 0 346.453 -0.280 10 0 EBAERN O[C@@H]1COC[C@@H](N2CCN(Cc3cnc4ccccc4n3)CC2)[C@@H]1O ZINC000643586032 375914894 /nfs/dbraw/zinc/91/48/94/375914894.db2.gz QEXZWLWXXRNGQT-KURKYZTESA-N 0 0 344.415 -0.132 10 0 EBAERN Cn1ncc(N2CCC[C@@](O)(C(N)=O)C2)c(Br)c1=O ZINC000408034019 376101505 /nfs/dbraw/zinc/10/15/05/376101505.db2.gz CLBMVCLMHSBEJK-NSHDSACASA-N 0 0 331.170 -0.641 10 0 EBAERN COCn1nccc1S(=O)(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000408015148 376279589 /nfs/dbraw/zinc/27/95/89/376279589.db2.gz ATVNJRAZNBESRY-NWDGAFQWSA-N 0 0 330.410 -0.419 10 0 EBAERN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000407977075 376276082 /nfs/dbraw/zinc/27/60/82/376276082.db2.gz PGKIBXJAPNTQBM-GHMZBOCLSA-N 0 0 342.425 -0.164 10 0 EBAERN C[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)N1CCOCC1 ZINC000408019907 376283305 /nfs/dbraw/zinc/28/33/05/376283305.db2.gz IMHAAJWUXNZOPH-GFCCVEGCSA-N 0 0 333.454 -0.505 10 0 EBAERN CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000408024040 376284849 /nfs/dbraw/zinc/28/48/49/376284849.db2.gz XIEZBKKWRJLVCK-UPJWGTAASA-N 0 0 333.454 -0.508 10 0 EBAERN CCc1nnc([C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CCO2)[nH]1 ZINC000408033060 376291162 /nfs/dbraw/zinc/29/11/62/376291162.db2.gz HEKUBKMCNSSGBR-STQMWFEESA-N 0 0 334.424 -0.343 10 0 EBAERN O=C(N1CCN(S(=O)(=O)c2cccnc2)CC1)C1(O)CCC1 ZINC000408041465 376294636 /nfs/dbraw/zinc/29/46/36/376294636.db2.gz HBFHITUGAQJTJQ-UHFFFAOYSA-N 0 0 325.390 -0.171 10 0 EBAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCN(CC(C)C)C(=O)C2)C1 ZINC000408056938 376298767 /nfs/dbraw/zinc/29/87/67/376298767.db2.gz NSCLDUAFLLMQHV-INIZCTEOSA-N 0 0 325.409 -0.313 10 0 EBAERN CC(=O)N1CCC[C@](O)(C(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000408053731 376299442 /nfs/dbraw/zinc/29/94/42/376299442.db2.gz PHAHXAXXFCGIIH-GOEBONIOSA-N 0 0 325.409 -0.707 10 0 EBAERN C[C@@H](NC(=O)C1CCCCC1)C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000408065829 376302392 /nfs/dbraw/zinc/30/23/92/376302392.db2.gz QRTZIRRWEXEOIE-BDJLRTHQSA-N 0 0 325.409 -0.090 10 0 EBAERN C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000408065831 376303082 /nfs/dbraw/zinc/30/30/82/376303082.db2.gz QRTZIRRWEXEOIE-MEDUHNTESA-N 0 0 325.409 -0.090 10 0 EBAERN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)N2CCO[C@@H](C(N)=O)C2)C1 ZINC000408179093 376403616 /nfs/dbraw/zinc/40/36/16/376403616.db2.gz AZKQOUYQNURJMF-JHJVBQTASA-N 0 0 340.424 -0.035 10 0 EBAERN CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c[nH]c2ccccc12 ZINC000087492953 376413492 /nfs/dbraw/zinc/41/34/92/376413492.db2.gz YWGZKIDEACKEPR-OXGONZEZSA-N 0 0 336.344 -0.510 10 0 EBAERN CC(C)[C@H](NC(=O)[C@H]1CC(=O)N[C@H](C)C1)C(=O)N1CCOCC1 ZINC000408201119 376417501 /nfs/dbraw/zinc/41/75/01/376417501.db2.gz GTKZJSJXEBPKTD-BZPMIXESSA-N 0 0 325.409 -0.099 10 0 EBAERN O=S(=O)(c1ccnc(N2C[C@@H](O)C[C@H]2CO)c1)N1CCCC1 ZINC000408109421 376373054 /nfs/dbraw/zinc/37/30/54/376373054.db2.gz YISXFTRTBAVBJR-RYUDHWBXSA-N 0 0 327.406 -0.202 10 0 EBAERN C[C@@H]1CN(S(=O)(=O)NC[C@H]2CC(=O)N(C3CC3)C2)[C@@H](C)CO1 ZINC000408153883 376386707 /nfs/dbraw/zinc/38/67/07/376386707.db2.gz GYQAXQMRXBFPGA-QJPTWQEYSA-N 0 0 331.438 -0.059 10 0 EBAERN C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)[C@H](C)CO1 ZINC000408153887 376386768 /nfs/dbraw/zinc/38/67/68/376386768.db2.gz GYQAXQMRXBFPGA-UTUOFQBUSA-N 0 0 331.438 -0.059 10 0 EBAERN CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N[C@H](C)C2)CC1 ZINC000408159614 376391338 /nfs/dbraw/zinc/39/13/38/376391338.db2.gz GKNLAIQDGAMCPO-NEPJUHHUSA-N 0 0 338.408 -0.904 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCN(C(N)=O)C1 ZINC000408166211 376395233 /nfs/dbraw/zinc/39/52/33/376395233.db2.gz PYOMKRTXDAEHFP-WDEREUQCSA-N 0 0 332.426 -0.540 10 0 EBAERN CNC(=O)[C@H]1CN(C(=O)[C@H]2CSCN2C(=O)C2CCC2)CCO1 ZINC000408173367 376448619 /nfs/dbraw/zinc/44/86/19/376448619.db2.gz KDYUETMZCPLYPK-VXGBXAGGSA-N 0 0 341.433 -0.339 10 0 EBAERN CN(C)C(=O)c1ccc(CNC(=O)C2CCN(CC(N)=O)CC2)o1 ZINC000091997498 376448667 /nfs/dbraw/zinc/44/86/67/376448667.db2.gz IJLIYSHDSBIZEB-UHFFFAOYSA-N 0 0 336.392 -0.205 10 0 EBAERN COC(=O)C(C)(C)CS(=O)(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000408180649 376473768 /nfs/dbraw/zinc/47/37/68/376473768.db2.gz UIXUJBKZKYJJCA-VXGBXAGGSA-N 0 0 334.438 -0.080 10 0 EBAERN CN1CCO[C@H](CNC(=O)NCC(=O)NCCc2ccccc2)C1 ZINC000104798924 376561274 /nfs/dbraw/zinc/56/12/74/376561274.db2.gz FQONAZNQPZJUEJ-OAHLLOKOSA-N 0 0 334.420 -0.025 10 0 EBAERN O=C(Cn1nc2ccccn2c1=O)N1CCC[C@@H](n2cncn2)C1 ZINC000105854113 376568290 /nfs/dbraw/zinc/56/82/90/376568290.db2.gz RJICSZJQALOKKL-GFCCVEGCSA-N 0 0 327.348 -0.049 10 0 EBAERN Nc1nc(N)nc(CN2CCN(C[C@H](O)c3ccccc3)CC2)n1 ZINC000105820405 376570304 /nfs/dbraw/zinc/57/03/04/376570304.db2.gz DWHAZXLPWYXEBI-ZDUSSCGKSA-N 0 0 329.408 -0.113 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCN(C)C1=O ZINC000408336575 376654231 /nfs/dbraw/zinc/65/42/31/376654231.db2.gz ORXKXRDHWKHILA-RYUDHWBXSA-N 0 0 331.438 -0.072 10 0 EBAERN CC(=O)N1CC[C@H](C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)C1 ZINC000408249195 376782966 /nfs/dbraw/zinc/78/29/66/376782966.db2.gz QJIFRSZGKWJOQM-AVGNSLFASA-N 0 0 331.438 -0.311 10 0 EBAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000363233242 376793971 /nfs/dbraw/zinc/79/39/71/376793971.db2.gz DPNMWVOUOJSDQF-OCCSQVGLSA-N 0 0 348.407 -0.165 10 0 EBAERN CCN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000408259875 376801163 /nfs/dbraw/zinc/80/11/63/376801163.db2.gz BDQDFTDDKJWSHW-UHFFFAOYSA-N 0 0 348.450 -0.416 10 0 EBAERN CNC(=O)C1CN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)C1 ZINC000408268450 376810757 /nfs/dbraw/zinc/81/07/57/376810757.db2.gz NFMWGOJZPZNRIK-GXTWGEPZSA-N 0 0 333.392 -0.466 10 0 EBAERN COCc1nc2n(n1)C[C@H](NC(=O)c1nc(C)c(C)[nH]c1=O)CC2 ZINC000154125692 376821604 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CC(=O)N[C@@H]1[C@H](OCCCc2ccccc2)O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000106385002 376946595 /nfs/dbraw/zinc/94/65/95/376946595.db2.gz VYMIFEDSFWSAON-ZOFXXKQRSA-N 0 0 339.388 -0.421 10 0 EBAERN C[S@@](=O)CCC(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000159736797 377000846 /nfs/dbraw/zinc/00/08/46/377000846.db2.gz ZDNVWLPIPXUPLH-QFIPXVFZSA-N 0 0 329.466 -0.088 10 0 EBAERN NNC(=O)c1cn(-c2ccc(Br)cc2)nc1C(=O)NN ZINC000035029613 377063406 /nfs/dbraw/zinc/06/34/06/377063406.db2.gz KIIUUIIGQVQDSE-UHFFFAOYSA-N 0 0 339.153 -0.158 10 0 EBAERN CCOC(=O)c1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1 ZINC000267324889 377064245 /nfs/dbraw/zinc/06/42/45/377064245.db2.gz FREAPVFREJJKCA-DHGKCCLASA-N 0 0 327.333 -0.925 10 0 EBAERN C[C@@H]1C(=O)NCCCN1C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000364574684 377166360 /nfs/dbraw/zinc/16/63/60/377166360.db2.gz KGIHXZHLGBNNNM-GHMZBOCLSA-N 0 0 332.426 -0.670 10 0 EBAERN C[C@H]1C(=O)NCCCN1C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000365004393 377181072 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NC(=O)[C@@H]1CCCN(C(=O)CN2CCO[C@H](Cn3cccn3)C2)C1 ZINC000247248983 154187122 /nfs/dbraw/zinc/18/71/22/154187122.db2.gz TVUOGWKSRNITPX-KGLIPLIRSA-N 0 0 335.408 -0.692 10 0 EBAERN C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN2CCC[C@H]2C1 ZINC000247141109 154187731 /nfs/dbraw/zinc/18/77/31/154187731.db2.gz LAGNLRHZPIFJBC-HZSPNIEDSA-N 0 0 329.466 -0.200 10 0 EBAERN O=C1NC[C@H]2CN(C[C@H](O)c3ccc(F)cc3F)CCN2C1=O ZINC000248152739 154189175 /nfs/dbraw/zinc/18/91/75/154189175.db2.gz QYHUCCSLUPXPEC-GWCFXTLKSA-N 0 0 325.315 -0.359 10 0 EBAERN CN[C@H](C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O)c1cnn(C)c1 ZINC000262557130 154237076 /nfs/dbraw/zinc/23/70/76/154237076.db2.gz PTDZOVAEICROEQ-DRZSPHRISA-N 0 0 343.453 -0.485 10 0 EBAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000270144219 154478950 /nfs/dbraw/zinc/47/89/50/154478950.db2.gz UDCYOHJIMQTIHQ-NWDGAFQWSA-N 0 0 348.407 -0.165 10 0 EBAERN CN1C[C@@H](C(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)CC1=O ZINC000275535362 154655860 /nfs/dbraw/zinc/65/58/60/154655860.db2.gz DZTBSTBFQYQWRW-NWDGAFQWSA-N 0 0 333.392 -0.656 10 0 EBAERN Cn1nccc1[C@H]1[C@H](NS(=O)(=O)N2CCCC2)CC(=O)N1C ZINC000284713680 154868055 /nfs/dbraw/zinc/86/80/55/154868055.db2.gz ZQOBXEDJGSBFHF-ZWNOBZJWSA-N 0 0 327.410 -0.378 10 0 EBAERN O=C(Cn1cc(NC(=O)N2CC(O)(C3CC3)C2)cn1)N1CCOCC1 ZINC000333026857 155490578 /nfs/dbraw/zinc/49/05/78/155490578.db2.gz LBOKHOCTGYWWTR-UHFFFAOYSA-N 0 0 349.391 -0.270 10 0 EBAERN CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCCN(c2ccc(C)nn2)CC1 ZINC000355672245 157017901 /nfs/dbraw/zinc/01/79/01/157017901.db2.gz NSVGOLDIOZITQD-CABCVRRESA-N 0 0 347.419 -0.195 10 0 EBAERN CCN(CC)C(=O)[C@@H]1CSCN1C(=O)[C@@H]1C[C@H](O)CN1C(C)=O ZINC000357582947 157156096 /nfs/dbraw/zinc/15/60/96/157156096.db2.gz MEJARMYCLMRYOR-AVGNSLFASA-N 0 0 343.449 -0.262 10 0 EBAERN CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000357592131 157158088 /nfs/dbraw/zinc/15/80/88/157158088.db2.gz CJWTUYFGFKUYOK-SQNXGDPESA-N 0 0 343.449 -0.216 10 0 EBAERN CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CSC[C@H]1C(=O)N(C)C(C)C ZINC000357585621 157158392 /nfs/dbraw/zinc/15/83/92/157158392.db2.gz QXTFYMOGORBDGV-AGIUHOORSA-N 0 0 343.449 -0.264 10 0 EBAERN CC1CCN(S(=O)(=O)N2CCO[C@@H](CN(C)CC(N)=O)C2)CC1 ZINC000407952935 157700144 /nfs/dbraw/zinc/70/01/44/157700144.db2.gz AVUHTJUVWWLZMZ-ZDUSSCGKSA-N 0 0 348.469 -0.919 10 0 EBAERN CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCO[C@H](CO)C1)C2=O ZINC000408001097 157702642 /nfs/dbraw/zinc/70/26/42/157702642.db2.gz AGDNGMGJHCELRH-BGMSHATGSA-N 0 0 339.392 -0.293 10 0 EBAERN C[C@H]1OCCN(C(=O)CNC(=O)NC2CCCCC2)[C@@H]1C(N)=O ZINC000408063492 157708302 /nfs/dbraw/zinc/70/83/02/157708302.db2.gz QWYJMMPMLIVVLS-MFKMUULPSA-N 0 0 326.397 -0.281 10 0 EBAERN CS(=O)(=O)N1CCN(C(=O)c2cccc3c2OCC(=O)N3)CC1 ZINC000408076085 157709089 /nfs/dbraw/zinc/70/90/89/157709089.db2.gz CSJDYTKWCLJFOH-UHFFFAOYSA-N 0 0 339.373 -0.265 10 0 EBAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000408337372 157721330 /nfs/dbraw/zinc/72/13/30/157721330.db2.gz UHKRPVNBIBQJFS-TUAOUCFPSA-N 0 0 348.421 -0.817 10 0 EBAERN CCNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000408396178 157724390 /nfs/dbraw/zinc/72/43/90/157724390.db2.gz XVRIFOOXLBBDIA-NWDGAFQWSA-N 0 0 334.442 -0.313 10 0 EBAERN CCOC(=O)c1ccc(N[C@]2(CO)O[C@H](CO)[C@@H](O)[C@H]2O)cc1 ZINC000255997511 419006032 /nfs/dbraw/zinc/00/60/32/419006032.db2.gz QPYPPHVWJURKPP-RGCMKSIDSA-N 0 0 327.333 -0.923 10 0 EBAERN CC[C@@H](NC(=O)N1CCC[C@@H]1C(=O)NC)C(=O)N1CCOCC1 ZINC000407991725 419131269 /nfs/dbraw/zinc/13/12/69/419131269.db2.gz WZZYIRXLFAMTDJ-VXGBXAGGSA-N 0 0 326.397 -0.456 10 0 EBAERN C[C@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@@H]1N1CCOCC1 ZINC000408005327 419132585 /nfs/dbraw/zinc/13/25/85/419132585.db2.gz UTGHSRMJASQREB-JQWIXIFHSA-N 0 0 343.405 -0.280 10 0 EBAERN C[C@H](C(=O)N1CCC(N(C)S(C)(=O)=O)CC1)N1CCOCC1 ZINC000408000711 419133037 /nfs/dbraw/zinc/13/30/37/419133037.db2.gz GRLPFTKLZPZQQX-GFCCVEGCSA-N 0 0 333.454 -0.411 10 0 EBAERN COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000408353692 419249792 /nfs/dbraw/zinc/24/97/92/419249792.db2.gz CRUFFTPKVVHRFJ-WRWGMCAJSA-N 0 0 333.406 -0.011 10 0 EBAERN O=C(NCCN1CCOCC1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000105425853 419200318 /nfs/dbraw/zinc/20/03/18/419200318.db2.gz USXFHQDOTIFYSR-HNNXBMFYSA-N 0 0 330.392 -0.095 10 0 EBAERN NC(=O)[C@H]1CN(C(=O)[C@H]2CSCN2C(=O)C2CCC2)CCO1 ZINC000408098899 419206780 /nfs/dbraw/zinc/20/67/80/419206780.db2.gz TYGZYQDCICKJRG-GHMZBOCLSA-N 0 0 327.406 -0.599 10 0 EBAERN CC[C@@H](O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000178213160 419778556 /nfs/dbraw/zinc/77/85/56/419778556.db2.gz SLCFKSPKLQRFQY-TZMCWYRMSA-N 0 0 335.408 -0.322 10 0 EBAERN CC(C)n1nnnc1CN1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000195084397 420525686 /nfs/dbraw/zinc/52/56/86/420525686.db2.gz VTNGXLGSNOYCGB-UHFFFAOYSA-N 0 0 335.412 -0.479 10 0 EBAERN CNC(=O)c1cc(S(=O)(=O)N2CC[S@@](=O)CC[C@@H]2C)cn1C ZINC000408389365 277255669 /nfs/dbraw/zinc/25/56/69/277255669.db2.gz JEZUSVOYAOSPPC-CWKPULSASA-N 0 0 347.462 -0.084 10 0 EBAERN CC(=O)N1CCC[C@](O)(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)C1 ZINC000329162725 278031803 /nfs/dbraw/zinc/03/18/03/278031803.db2.gz FZMOQLMPEQEBIZ-OFQRWUPVSA-N 0 0 325.409 -0.709 10 0 EBAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000329383238 278068727 /nfs/dbraw/zinc/06/87/27/278068727.db2.gz OLTMCEIFPCTUBI-PMOUVXMZSA-N 0 0 325.409 -0.710 10 0 EBAERN Cc1oc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cc1S(N)(=O)=O ZINC000408021529 279272782 /nfs/dbraw/zinc/27/27/82/279272782.db2.gz JAWLQIGXLZSPFE-MNOVXSKESA-N 0 0 343.405 -0.219 10 0 EBAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2CS(N)(=O)=O)[C@@H](C)CO1 ZINC000408146804 297048846 /nfs/dbraw/zinc/04/88/46/297048846.db2.gz VICSOWROHWXHKV-HBNTYKKESA-N 0 0 341.455 -0.907 10 0 EBAERN CO[C@H]1C[C@H](C(=O)N2CCN(C)[C@H](c3nccn3C)C2)N(C(C)=O)C1 ZINC000278957965 294643267 /nfs/dbraw/zinc/64/32/67/294643267.db2.gz ALXHLDQYRBYETJ-ZNMIVQPWSA-N 0 0 349.435 -0.129 10 0 EBAERN NC(=O)[C@H]1COCCN1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000092421608 295159748 /nfs/dbraw/zinc/15/97/48/295159748.db2.gz RWCAUGWGMXDQAZ-GDBMZVCRSA-N 0 0 346.431 -0.185 10 0 EBAERN CS(=O)(=O)CCS(=O)(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000250936890 295504769 /nfs/dbraw/zinc/50/47/69/295504769.db2.gz GMUUAMPEBMUXNP-RYUDHWBXSA-N 0 0 325.452 -0.012 10 0 EBAERN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)N1CCS(=O)(=O)CC1 ZINC000333035729 300243808 /nfs/dbraw/zinc/24/38/08/300243808.db2.gz NKEBZIBXPYNBFU-LBPRGKRZSA-N 0 0 333.454 -0.386 10 0 EBAERN C[C@H]1C[C@@H](O)CCN1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000408084396 300440354 /nfs/dbraw/zinc/44/03/54/300440354.db2.gz PFRFZLCZWBYFJP-ONGXEEELSA-N 0 0 332.360 -0.382 10 0 EBAERN Cc1cc(N2CCC[C@@H](NC(=O)[C@H]3CC(=O)N(C)C3)C2=O)n(C)n1 ZINC000173067191 301335267 /nfs/dbraw/zinc/33/52/67/301335267.db2.gz NTFAGINQYOXGJB-NWDGAFQWSA-N 0 0 333.392 -0.182 10 0 EBAERN Cn1cc([C@@H]2CNCCN2S(=O)(=O)c2cccc(C(N)=O)c2)cn1 ZINC000181698015 302925256 /nfs/dbraw/zinc/92/52/56/302925256.db2.gz AKYXCFMCAORXHN-AWEZNQCLSA-N 0 0 349.416 -0.146 10 0 EBAERN O=C(Cn1cccnc1=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000329168980 303662262 /nfs/dbraw/zinc/66/22/62/303662262.db2.gz IYEPCJCQIGHESF-INIZCTEOSA-N 0 0 334.376 -0.781 10 0 EBAERN CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000378208590 519542147 /nfs/dbraw/zinc/54/21/47/519542147.db2.gz UFFNPRQXRUQDSA-QWHCGFSZSA-N 0 0 331.438 -0.074 10 0 EBAERN CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000332822762 545847127 /nfs/dbraw/zinc/84/71/27/545847127.db2.gz DCACVKDVNWWEMP-VXGBXAGGSA-N 0 0 341.437 -0.229 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC(=O)N1 ZINC000333291168 545860321 /nfs/dbraw/zinc/86/03/21/545860321.db2.gz AUXZDQSXFPJVKR-BXUZGUMPSA-N 0 0 331.438 -0.025 10 0 EBAERN O=S(=O)(Cc1ccc(F)cc1)NC[C@@H](O)CN1CCOCC1 ZINC000156004125 545989210 /nfs/dbraw/zinc/98/92/10/545989210.db2.gz GMDMZJZGVFCHCZ-CQSZACIVSA-N 0 0 332.397 -0.062 10 0 EBAERN CNC(=O)[C@H]1CC(=O)N(C2CN(S(=O)(=O)c3ccco3)C2)C1 ZINC000888097682 582605668 /nfs/dbraw/zinc/60/56/68/582605668.db2.gz MPLTYHIOBXKRSB-VIFPVBQESA-N 0 0 327.362 -0.753 10 0 EBAERN CC(=O)N1CC(C(=O)N[C@@H]2CCCC[C@@H]2Cc2nn(C)c(=O)n2C)C1 ZINC000888099166 582605672 /nfs/dbraw/zinc/60/56/72/582605672.db2.gz TUWYATWTXIGFIF-TZMCWYRMSA-N 0 0 349.435 -0.185 10 0 EBAERN O=C(CC[C@H]1CC[C@H](C2OCCO2)O1)N1CC(N2CCNC2=O)C1 ZINC000897757346 582709263 /nfs/dbraw/zinc/70/92/63/582709263.db2.gz XOCJWRHRCLVNFL-CHWSQXEVSA-N 0 0 339.392 -0.077 10 0 EBAERN Cc1nn(CC(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)c(=O)n1C ZINC000899089209 582745063 /nfs/dbraw/zinc/74/50/63/582745063.db2.gz NGIFLCPOHVDKBC-GFCCVEGCSA-N 0 0 331.380 -0.167 10 0 EBAERN CC(=O)N1C[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[C@@H]1C(F)(F)F ZINC000886039527 584655458 /nfs/dbraw/zinc/65/54/58/584655458.db2.gz LNEGKTULFRZULO-VHSXEESVSA-N 0 0 349.313 -0.360 10 0 EBAERN CC(=O)N1C[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[C@H]1C(F)(F)F ZINC000886039524 584655575 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Cn1cc([C@@H]2[C@H](C(=O)NCCN3CCOCC3)CCC(=O)N2C)cn1 ZINC000332831287 377326786 /nfs/dbraw/zinc/32/67/86/377326786.db2.gz DFYKCVJBSDVXPY-GDBMZVCRSA-N 0 0 349.435 -0.222 10 0 EBAERN C[C@@H]1CN(C(=O)CNC(=O)c2cccnc2)C[C@@H]1N1CCOCC1 ZINC000164422332 377378765 /nfs/dbraw/zinc/37/87/65/377378765.db2.gz SEBWLNRZLLUUNH-HIFRSBDPSA-N 0 0 332.404 -0.010 10 0 EBAERN CC[C@@H]1C(=O)NCCN1C(=O)c1cnn(CCN2CCOCC2)c1 ZINC000365444681 378532411 /nfs/dbraw/zinc/53/24/11/378532411.db2.gz BWTGGGVFJKQNNT-CQSZACIVSA-N 0 0 335.408 -0.434 10 0 EBAERN COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)NC1CCCC1 ZINC000349460227 379138463 /nfs/dbraw/zinc/13/84/63/379138463.db2.gz PNDRZVBMGYXRKL-JTQLQIEISA-N 0 0 340.423 -0.965 10 0 EBAERN CCCCN1CCOC[C@H]1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618677587 379152119 /nfs/dbraw/zinc/15/21/19/379152119.db2.gz PXLSBLONSXVOQU-KGLIPLIRSA-N 0 0 347.481 -0.020 10 0 EBAERN CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@@H]1OC(C)=O ZINC000616626224 379221445 /nfs/dbraw/zinc/22/14/45/379221445.db2.gz VEXTUPCIMUQWAO-MQLXINIDSA-N 0 0 348.304 -0.938 10 0 EBAERN CO[C@@H]1CC[C@@H]2OCCN(CC(=O)N3CCC[C@@H](C(N)=O)C3)[C@@H]2C1 ZINC000366793310 379347670 /nfs/dbraw/zinc/34/76/70/379347670.db2.gz CZBGTZATCMLEFP-TUVASFSCSA-N 0 0 339.436 -0.021 10 0 EBAERN Cn1c2ccc(S(=O)(=O)N3CCO[C@@H](CO)C3)cc2n(C)c1=O ZINC000269873546 379415332 /nfs/dbraw/zinc/41/53/32/379415332.db2.gz USRHXDBOSIKBEE-SNVBAGLBSA-N 0 0 341.389 -0.741 10 0 EBAERN O=S1(=O)CC[C@@H](NC(=S)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000040166532 379448773 /nfs/dbraw/zinc/44/87/73/379448773.db2.gz SMTIZKQLZJLWIU-DTWKUNHWSA-N 0 0 326.465 -0.928 10 0 EBAERN COC(=O)c1cn(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)nn1 ZINC000379014956 379454005 /nfs/dbraw/zinc/45/40/05/379454005.db2.gz AOPPTTUDOWPJIH-SECBINFHSA-N 0 0 330.300 -0.278 10 0 EBAERN Cn1c(NC[C@H]2CN(C3CC3)CCO2)nc2c1c(=O)[nH]c(=O)n2C ZINC000066745841 379751855 /nfs/dbraw/zinc/75/18/55/379751855.db2.gz WRWCGLOCLPDTSQ-JTQLQIEISA-N 0 0 334.380 -0.765 10 0 EBAERN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCNC1=O ZINC000069336876 379918715 /nfs/dbraw/zinc/91/87/15/379918715.db2.gz MEECWBKXSBDVLM-VXGBXAGGSA-N 0 0 331.438 -0.025 10 0 EBAERN COC(=O)C1CCN(C(=O)CN2C[C@H]3OCCN(C)[C@H]3C2)CC1 ZINC000352066893 379919146 /nfs/dbraw/zinc/91/91/46/379919146.db2.gz FBEGLHNSKNTXKH-UONOGXRCSA-N 0 0 325.409 -0.587 10 0 EBAERN COc1ccnc(N2CCN(C(=O)N[C@@H]3CCC(=O)N[C@H]3C)CC2)n1 ZINC000282121464 380058676 /nfs/dbraw/zinc/05/86/76/380058676.db2.gz GKZKJVCAKRMTNS-NWDGAFQWSA-N 0 0 348.407 -0.016 10 0 EBAERN Cn1ccnc(N2CCC[C@@H](NC(=O)[C@]3(C)CCC(=O)NC3)C2)c1=O ZINC000282526141 380080977 /nfs/dbraw/zinc/08/09/77/380080977.db2.gz YLWGXZDTJZKFJQ-SJKOYZFVSA-N 0 0 347.419 -0.218 10 0 EBAERN Cn1ccnc(N2CCC[C@@H](NC(=O)[C@@]3(C)CCC(=O)NC3)C2)c1=O ZINC000282526136 380081046 /nfs/dbraw/zinc/08/10/46/380081046.db2.gz YLWGXZDTJZKFJQ-PXAZEXFGSA-N 0 0 347.419 -0.218 10 0 EBAERN COC[C@H]1NC(=O)CC[C@H]1C(=O)N1CCN(c2ncccn2)CC1 ZINC000575560275 380466752 /nfs/dbraw/zinc/46/67/52/380466752.db2.gz UFIPAXKAFGEQKU-CHWSQXEVSA-N 0 0 333.392 -0.334 10 0 EBAERN CN(C)c1ncccc1O[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC000275677636 380573774 /nfs/dbraw/zinc/57/37/74/380573774.db2.gz PXMRLTIAOOCSGH-GFCCVEGCSA-N 0 0 346.391 -0.277 10 0 EBAERN CN1CCO[C@H](C(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)C1 ZINC000275712587 380574853 /nfs/dbraw/zinc/57/48/53/380574853.db2.gz NWCPJFYPZMVDJX-OLZOCXBDSA-N 0 0 335.408 -0.804 10 0 EBAERN CN(CC(N)=O)C[C@H]1CN(c2cc(=O)n3ccccc3n2)CCO1 ZINC000374533844 380797507 /nfs/dbraw/zinc/79/75/07/380797507.db2.gz BLFDXOZNYOLRLD-LBPRGKRZSA-N 0 0 331.376 -0.683 10 0 EBAERN O=c1cnn(CCCC[NH+]2CCN(c3ncccn3)CC2)c(=O)[n-]1 ZINC000141284817 381196564 /nfs/dbraw/zinc/19/65/64/381196564.db2.gz LOTOEDHKWFOSAJ-UHFFFAOYSA-N 0 0 331.380 -0.676 10 0 EBAERN CCCNC(=O)CNC(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000028100133 381169828 /nfs/dbraw/zinc/16/98/28/381169828.db2.gz KEGOMQXXZJNXOM-UHFFFAOYSA-N 0 0 345.407 -0.017 10 0 EBAERN CCCCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112654101 381255733 /nfs/dbraw/zinc/25/57/33/381255733.db2.gz UQJYQSKGPVKYAP-GHMZBOCLSA-N 0 0 329.426 -0.183 10 0 EBAERN Cn1ccnc1C[C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000119224247 381261673 /nfs/dbraw/zinc/26/16/73/381261673.db2.gz APTPGJSYJQLVFA-LLVKDONJSA-N 0 0 331.380 -0.408 10 0 EBAERN C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000332991530 381271959 /nfs/dbraw/zinc/27/19/59/381271959.db2.gz CADDYPPSQUGWIA-GBOPCIDUSA-N 0 0 339.436 -0.416 10 0 EBAERN Cc1nnc([C@H]2CN(C(=O)NC[C@@H](C)N3CCOCC3)CCO2)[nH]1 ZINC000332989249 381272256 /nfs/dbraw/zinc/27/22/56/381272256.db2.gz OOHRPRVWXGNBDE-DGCLKSJQSA-N 0 0 338.412 -0.083 10 0 EBAERN Cc1cc(N2CCC[C@@H](NC(=O)N[C@H]3CCCNC3=O)C2=O)n(C)n1 ZINC000332939987 381272782 /nfs/dbraw/zinc/27/27/82/381272782.db2.gz ZHPMYUKXLSPOLG-NWDGAFQWSA-N 0 0 348.407 -0.198 10 0 EBAERN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCO[C@@H](C(N)=O)C2)[nH]n1 ZINC000124478362 381280973 /nfs/dbraw/zinc/28/09/73/381280973.db2.gz NVLUWUMPARCZLY-GFCCVEGCSA-N 0 0 332.364 -0.247 10 0 EBAERN COC(=O)/C1=C/CC[C@@]2(C)O[C@H]2[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)[C@H]1O ZINC000253390663 381654506 /nfs/dbraw/zinc/65/45/06/381654506.db2.gz ADBCGKHTYGFGKL-SAVYQGLBSA-N 0 0 326.345 -0.063 10 0 EBAERN CO[C@H]1C[C@H](C(=O)N2CC[C@@H]([C@H]3CCOC3)C2)N(S(C)(=O)=O)C1 ZINC000329832324 381696336 /nfs/dbraw/zinc/69/63/36/381696336.db2.gz FYFSPVIBOVIFBU-ZOBORPQBSA-N 0 0 346.449 -0.080 10 0 EBAERN O=C(NC[C@H](O)CN1CCOCC1)c1cnc(C(F)(F)F)nc1 ZINC000122914858 381886903 /nfs/dbraw/zinc/88/69/03/381886903.db2.gz BBDQCAXNPSLYAM-JTQLQIEISA-N 0 0 334.298 -0.082 10 0 EBAERN C[C@@H]1[C@@H](O)CCCN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000333122033 381890359 /nfs/dbraw/zinc/89/03/59/381890359.db2.gz VEYJGNRMWPUHAX-KFWWJZLASA-N 0 0 339.436 -0.461 10 0 EBAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC000370534303 382054181 /nfs/dbraw/zinc/05/41/81/382054181.db2.gz DQPVZPVTVNPIRN-SMDDNHRTSA-N 0 0 331.438 -0.169 10 0 EBAERN CO[C@H]1COC[C@H]1n1cc(CNS(=O)(=O)CC(C)(C)OC)nn1 ZINC000352708221 382021448 /nfs/dbraw/zinc/02/14/48/382021448.db2.gz FNANAEHUTYHFEF-NEPJUHHUSA-N 0 0 348.425 -0.291 10 0 EBAERN CO[C@@H]1COC[C@@H]1n1cc(CNS(=O)(=O)CC(C)(C)OC)nn1 ZINC000352708222 382022191 /nfs/dbraw/zinc/02/21/91/382022191.db2.gz FNANAEHUTYHFEF-NWDGAFQWSA-N 0 0 348.425 -0.291 10 0 EBAERN CC(=O)N1CCC(C(=O)NCCn2c(=O)[nH]c3cncnc32)CC1 ZINC000065256910 382161654 /nfs/dbraw/zinc/16/16/54/382161654.db2.gz FIENQEJSFWWLBL-UHFFFAOYSA-N 0 0 332.364 -0.506 10 0 EBAERN CC(C)(NC(=O)[C@H]1CCCO1)c1nc2c(c(C(N)=O)n1)OCCO2 ZINC000065293247 382206137 /nfs/dbraw/zinc/20/61/37/382206137.db2.gz SMBPDOFBPDGZRG-MRVPVSSYSA-N 0 0 336.348 -0.123 10 0 EBAERN COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CC1(O)CCCCC1 ZINC000408228397 291919405 /nfs/dbraw/zinc/91/94/05/291919405.db2.gz HVEZAEGACLHQNQ-LLVKDONJSA-N 0 0 333.406 -0.130 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC(=O)N(CCOC)C1 ZINC000328673734 155186886 /nfs/dbraw/zinc/18/68/86/155186886.db2.gz JGAQOQUSYQFOHO-GFCCVEGCSA-N 0 0 347.437 -0.535 10 0 EBAERN CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)S(=O)(=O)C1COC1 ZINC000328786501 155190007 /nfs/dbraw/zinc/19/00/07/155190007.db2.gz JDYDUIQNTGLPFM-AAEUAGOBSA-N 0 0 346.428 -0.007 10 0 EBAERN COCCn1cc(S(=O)(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cn1 ZINC000328850056 155192274 /nfs/dbraw/zinc/19/22/74/155192274.db2.gz BKYNYQMQHOCFIA-KGLIPLIRSA-N 0 0 344.437 -0.377 10 0 EBAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@]3(O)CCSC3)CCO2)n1 ZINC000328940454 155195548 /nfs/dbraw/zinc/19/55/48/155195548.db2.gz DYVQCXXTLMYRAI-JSGCOSHPSA-N 0 0 326.422 -0.010 10 0 EBAERN CO[C@H]1C[C@H](C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)N(C(C)=O)C1 ZINC000328876353 155194266 /nfs/dbraw/zinc/19/42/66/155194266.db2.gz KDDSTJJRZDOYRR-XGUBFFRZSA-N 0 0 325.409 -0.446 10 0 EBAERN CC(=O)N1CCN(C(=O)CN2CCn3c(nnc3C(C)C)C2)CC1 ZINC000329136475 155208897 /nfs/dbraw/zinc/20/88/97/155208897.db2.gz HBCJUVJZBQCXTF-UHFFFAOYSA-N 0 0 334.424 -0.092 10 0 EBAERN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCS(=O)CC1 ZINC000329197239 155210386 /nfs/dbraw/zinc/21/03/86/155210386.db2.gz VDXPGCTUIGCFNS-VIFPVBQESA-N 0 0 349.434 -0.451 10 0 EBAERN O=C([C@H]1CC[C@@H](C(=O)N2CCC[C@@H](CO)C2)O1)N1CCOCC1 ZINC000329232123 155212561 /nfs/dbraw/zinc/21/25/61/155212561.db2.gz FSSDMVJJTNFXHR-MCIONIFRSA-N 0 0 326.393 -0.376 10 0 EBAERN CN(C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1)[C@@H]1CCC[C@H]1O ZINC000329330247 155219506 /nfs/dbraw/zinc/21/95/06/155219506.db2.gz YWMNDGAGCCEMNT-YIYPIFLZSA-N 0 0 326.393 -0.235 10 0 EBAERN O=C([C@@H]1CCCO1)N1CCN(C[C@@H](O)CN2CCCC2=O)CC1 ZINC000329386568 155222426 /nfs/dbraw/zinc/22/24/26/155222426.db2.gz SLGGXOPAGSLFPM-KGLIPLIRSA-N 0 0 325.409 -0.707 10 0 EBAERN CC[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C[C@@H]1O ZINC000329574848 155231920 /nfs/dbraw/zinc/23/19/20/155231920.db2.gz VMBXKCWAZJCMMG-FQUUOJAGSA-N 0 0 326.393 -0.378 10 0 EBAERN COCCN1C[C@@H](C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)CC1=O ZINC000329750464 155237528 /nfs/dbraw/zinc/23/75/28/155237528.db2.gz VACOWFVDIDJIRG-NWDGAFQWSA-N 0 0 337.380 -0.492 10 0 EBAERN Cn1nnnc1SCCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000329751704 155237790 /nfs/dbraw/zinc/23/77/90/155237790.db2.gz VVLGQRDOQFUGMR-NSHDSACASA-N 0 0 326.426 -0.375 10 0 EBAERN O=C([C@H]1CC(=O)N(CCN2CCOCC2)C1)N1CCn2ccnc2C1 ZINC000329715499 155238196 /nfs/dbraw/zinc/23/81/96/155238196.db2.gz VBLGAUGUWKBVAW-AWEZNQCLSA-N 0 0 347.419 -0.594 10 0 EBAERN CO[C@H]1C[C@H](C(=O)N(C)CCn2cccn2)N(S(C)(=O)=O)C1 ZINC000329862512 155242039 /nfs/dbraw/zinc/24/20/39/155242039.db2.gz RDVUZGADCQNEQY-NWDGAFQWSA-N 0 0 330.410 -0.610 10 0 EBAERN C[C@H](O)C(=O)N1CCN(C(=O)C[C@H](C)N2CCCCC2=O)CC1 ZINC000329974401 155248273 /nfs/dbraw/zinc/24/82/73/155248273.db2.gz XIELMAAZSBNTOR-STQMWFEESA-N 0 0 325.409 -0.171 10 0 EBAERN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C2(O)CCC2)CC1 ZINC000330012102 155251354 /nfs/dbraw/zinc/25/13/54/155251354.db2.gz KALTUBXTBZTMDS-ZDUSSCGKSA-N 0 0 325.409 -0.707 10 0 EBAERN C[C@@H]1CN(C2CCN(S(=O)(=O)c3cnnn3C)CC2)CCO1 ZINC000330035425 155252370 /nfs/dbraw/zinc/25/23/70/155252370.db2.gz BUAGYWAVIDKXOO-LLVKDONJSA-N 0 0 329.426 -0.311 10 0 EBAERN C[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)[C@@H]1CO ZINC000330187636 155258675 /nfs/dbraw/zinc/25/86/75/155258675.db2.gz TXWNOBBIVGDFMX-DGAVXFQQSA-N 0 0 326.393 -0.378 10 0 EBAERN C[C@@H]1CCCC[C@H]1NC(=O)CN1C[C@@H](O)[C@H]([N@H+](C)CC(=O)[O-])C1 ZINC000330402596 155268790 /nfs/dbraw/zinc/26/87/90/155268790.db2.gz FZFRWWUADQWVPJ-AAVRWANBSA-N 0 0 327.425 -0.257 10 0 EBAERN CCc1nc2n(n1)C[C@H](NC(=O)CCN1CCCS1(=O)=O)CC2 ZINC000172255876 154096664 /nfs/dbraw/zinc/09/66/64/154096664.db2.gz QMDIMTULABECLI-LLVKDONJSA-N 0 0 341.437 -0.303 10 0 EBAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCO[C@H](Cn2cccn2)C1 ZINC000172603816 154099204 /nfs/dbraw/zinc/09/92/04/154099204.db2.gz XTPFWHVCEMESEX-STQMWFEESA-N 0 0 331.380 -0.100 10 0 EBAERN CCN(C)S(=O)(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000173510314 154100553 /nfs/dbraw/zinc/10/05/53/154100553.db2.gz LBMTUENKOCKHRX-UHFFFAOYSA-N 0 0 325.398 -0.557 10 0 EBAERN CCn1c(N)c(C(=O)CN2CCC[C@H]2c2cnn(C)c2)c(=O)[nH]c1=O ZINC000173314887 154101233 /nfs/dbraw/zinc/10/12/33/154101233.db2.gz WKMOLPMPOGGMNU-NSHDSACASA-N 0 0 346.391 -0.108 10 0 EBAERN CC(C)NC(=O)CN1CCN(C(=O)N[C@H]2CCCn3ncnc32)CC1 ZINC000176602024 154111304 /nfs/dbraw/zinc/11/13/04/154111304.db2.gz CSLWWIBKDHOHSQ-ZDUSSCGKSA-N 0 0 349.439 -0.035 10 0 EBAERN Nc1c(C(=O)CN2CCN3CCCC[C@H]3C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000177754920 154116065 /nfs/dbraw/zinc/11/60/65/154116065.db2.gz QVUCRUMJAQHAMT-LBPRGKRZSA-N 0 0 347.419 -0.194 10 0 EBAERN O=C(NC[C@H]1CN2CCN1CC2)C(=O)Nc1ccc2nccnc2c1 ZINC000178961632 154122996 /nfs/dbraw/zinc/12/29/96/154122996.db2.gz UANIRRSKOJDAFW-ZDUSSCGKSA-N 0 0 340.387 -0.316 10 0 EBAERN Cc1nc2n(n1)C[C@@H](NC(=O)c1cn(CC3(C)COC3)nn1)CC2 ZINC000184614466 154137381 /nfs/dbraw/zinc/13/73/81/154137381.db2.gz BLLQBMRNVKCQNK-NSHDSACASA-N 0 0 331.380 -0.041 10 0 EBAERN Cc1nccc(N2CCN(C(=O)NC[C@H]3CN(C)CCO3)CC2)n1 ZINC000184983973 154138008 /nfs/dbraw/zinc/13/80/08/154138008.db2.gz SPRTWSFEDFEKGC-AWEZNQCLSA-N 0 0 334.424 -0.053 10 0 EBAERN C[C@@H]1C(=O)NCCCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000188838369 154150271 /nfs/dbraw/zinc/15/02/71/154150271.db2.gz CEZHFLGVPGZODY-SNVBAGLBSA-N 0 0 330.344 -0.573 10 0 EBAERN Cc1cc(N2CCN(C(=O)N[C@@H](C)CS(C)(=O)=O)CC2)n[nH]1 ZINC000189972832 154154687 /nfs/dbraw/zinc/15/46/87/154154687.db2.gz WJYAZCYRXOTROO-NSHDSACASA-N 0 0 329.426 -0.017 10 0 EBAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCN(Cc2ccon2)CC1 ZINC000192023566 154156412 /nfs/dbraw/zinc/15/64/12/154156412.db2.gz OCYVCCWFGMNPIY-LLVKDONJSA-N 0 0 330.410 -0.401 10 0 EBAERN Cn1c2[nH]c(CN3CC[C@H]4OCCC[C@H]4C3)nc2c(=O)n(C)c1=O ZINC000246654594 154183576 /nfs/dbraw/zinc/18/35/76/154183576.db2.gz LKMHNUXQAHJFQO-WDEREUQCSA-N 0 0 333.392 -0.039 10 0 EBAERN O=C1NC[C@H]2CN(C[C@@H](O)c3c(F)cccc3F)CCN2C1=O ZINC000247964596 154190072 /nfs/dbraw/zinc/19/00/72/154190072.db2.gz 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205361743 /nfs/dbraw/zinc/36/17/43/205361743.db2.gz FIHQDKWIAMIECN-RBQUTUCGSA-N 0 0 348.363 -0.038 10 0 EBAERN COC(=O)[C@@H]1O[C@@H]2O[C@](C)(OC)O[C@@H]2[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000247848731 291607607 /nfs/dbraw/zinc/60/76/07/291607607.db2.gz NSNLBRRVXINGAI-DHXUVTFWSA-N 0 0 348.304 -0.517 10 0 EBAERN CC(C)C[C@H]([NH3+])C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)[O-])[C@@H](C)O ZINC000013646342 376024048 /nfs/dbraw/zinc/02/40/48/376024048.db2.gz QWWPYKKLXWOITQ-VOAKCMCISA-N 0 0 345.440 -0.159 10 0 EBAERN CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)OCc1ccccc1 ZINC000038260061 376078040 /nfs/dbraw/zinc/07/80/40/376078040.db2.gz MXCBPGJIPRBQAE-KSTCHIGDSA-N 0 0 327.333 -0.633 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCS(=O)(=O)CC1 ZINC000408014708 376280093 /nfs/dbraw/zinc/28/00/93/376280093.db2.gz QVUZSCSCXBQFLJ-LLVKDONJSA-N 0 0 338.451 -0.552 10 0 EBAERN CC(C)NS(=O)(=O)CCNC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000408015561 376281555 /nfs/dbraw/zinc/28/15/55/376281555.db2.gz 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338.452 -0.670 10 0 EBAERN CCc1nnc([C@H]2CN(S(=O)(=O)c3cnn(C)c3)CCO2)[nH]1 ZINC000329689371 155235172 /nfs/dbraw/zinc/23/51/72/155235172.db2.gz ZFABVZGSSLKTEZ-SNVBAGLBSA-N 0 0 326.382 -0.137 10 0 EBAERN CN1CCN(S(=O)(=O)N2CCN(CC3(O)CCC3)CC2)CC1 ZINC000329809638 155239808 /nfs/dbraw/zinc/23/98/08/155239808.db2.gz QFFIGTKMJDALHS-UHFFFAOYSA-N 0 0 332.470 -0.989 10 0 EBAERN Cn1nncc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000330070384 155252694 /nfs/dbraw/zinc/25/26/94/155252694.db2.gz IAPJPDQKUGFCOA-CMPLNLGQSA-N 0 0 339.421 -0.021 10 0 EBAERN Cn1nncc1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000330055750 155252930 /nfs/dbraw/zinc/25/29/30/155252930.db2.gz UUZVQZZABAMNJV-JTQLQIEISA-N 0 0 345.450 -0.456 10 0 EBAERN Cn1nccc1N1CCC[C@H](NS(=O)(=O)c2cnnn2C)C1 ZINC000330111793 155254505 /nfs/dbraw/zinc/25/45/05/155254505.db2.gz RJSXIZKDUIOAHM-JTQLQIEISA-N 0 0 325.398 -0.504 10 0 EBAERN CC[C@@H]1CCN1CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000330279158 155261476 /nfs/dbraw/zinc/26/14/76/155261476.db2.gz QPAOGGJONYORQS-ZIAGYGMSSA-N 0 0 329.466 -0.198 10 0 EBAERN COCC1(S(=O)(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000408459416 292260451 /nfs/dbraw/zinc/26/04/51/292260451.db2.gz ILYIBQMNDYVKSM-QWRGUYRKSA-N 0 0 340.467 -0.055 10 0 EBAERN COCCC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)CC1 ZINC000408302917 292272892 /nfs/dbraw/zinc/27/28/92/292272892.db2.gz KPMCRQNOSPMNGI-OLZOCXBDSA-N 0 0 349.453 -0.479 10 0 EBAERN Cc1cc(C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)n(C)n1 ZINC000109896946 154089869 /nfs/dbraw/zinc/08/98/69/154089869.db2.gz ZXGDBZZZDYLUQK-AWEZNQCLSA-N 0 0 349.435 -0.266 10 0 EBAERN Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)CC2 ZINC000171337696 154094835 /nfs/dbraw/zinc/09/48/35/154094835.db2.gz YZMWRCVLWGYLOI-VXGBXAGGSA-N 0 0 341.437 -0.311 10 0 EBAERN CCn1c(N)c(C(=O)CN2C[C@H]3CCC[C@@H](C2)C3O)c(=O)[nH]c1=O ZINC000172039920 154097030 /nfs/dbraw/zinc/09/70/30/154097030.db2.gz NHUAUEWSDZAJLI-HWYHXSKPSA-N 0 0 336.392 -0.586 10 0 EBAERN Cc1cc(N2CCC[C@H](NC(=O)[C@H]3CN(C)CCO3)C2=O)n(C)n1 ZINC000173450072 154101635 /nfs/dbraw/zinc/10/16/35/154101635.db2.gz HPRSJQKJSRDBLN-QWHCGFSZSA-N 0 0 335.408 -0.329 10 0 EBAERN Cn1cc(N2CCN(C(=O)[C@H]3CCCN3C(=O)C3CC3)CC2=O)cn1 ZINC000176057040 154109184 /nfs/dbraw/zinc/10/91/84/154109184.db2.gz YLSLTCIMUWHQLO-CQSZACIVSA-N 0 0 345.403 -0.004 10 0 EBAERN CN(C)C(=O)Cn1cc(C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)nn1 ZINC000178316015 154117927 /nfs/dbraw/zinc/11/79/27/154117927.db2.gz OKDRMFBIIPLQRA-WFASDCNBSA-N 0 0 329.360 -0.246 10 0 EBAERN O=C(Cn1nnc(-c2ccccc2)n1)NC[C@@H]1CN2CCN1CC2 ZINC000178783966 154120709 /nfs/dbraw/zinc/12/07/09/154120709.db2.gz LGWUKUDEDYROSF-CQSZACIVSA-N 0 0 327.392 -0.544 10 0 EBAERN COCc1ccccc1NC(=O)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000178960383 154122856 /nfs/dbraw/zinc/12/28/56/154122856.db2.gz ARUPXHXDSFZLSR-AWEZNQCLSA-N 0 0 332.404 -0.113 10 0 EBAERN CN1Cc2ccc(NC(=O)C(=O)NC[C@@H]3CN4CCN3CC4)cc2C1 ZINC000178958259 154122914 /nfs/dbraw/zinc/12/29/14/154122914.db2.gz GGUBRCCUTSOVTG-MRXNPFEDSA-N 0 0 343.431 -0.314 10 0 EBAERN CC(C)(C)c1ncc(NC(=O)C(=O)NC[C@@H]2CN3CCN2CC3)cn1 ZINC000178964228 154123262 /nfs/dbraw/zinc/12/32/62/154123262.db2.gz LPDJARZZZGMUCR-CYBMUJFWSA-N 0 0 346.435 -0.171 10 0 EBAERN COCc1cccc(NC(=O)C(=O)NC[C@H]2CN3CCN2CC3)c1 ZINC000178963522 154123289 /nfs/dbraw/zinc/12/32/89/154123289.db2.gz ZKMMDAUSLJZOGW-HNNXBMFYSA-N 0 0 332.404 -0.113 10 0 EBAERN CC(C)CS(=O)(=O)CC(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181413757 154129694 /nfs/dbraw/zinc/12/96/94/154129694.db2.gz QLRXONWLWRFNLR-CYBMUJFWSA-N 0 0 328.438 -0.036 10 0 EBAERN O=C(NC[C@@H]1CN2CCN1CC2)C(=O)N1CCc2c1cccc2F ZINC000185763607 154141508 /nfs/dbraw/zinc/14/15/08/154141508.db2.gz FZROCUPRFIZYGN-GFCCVEGCSA-N 0 0 332.379 -0.169 10 0 EBAERN Cc1cc(N2CCN([C@@H](C)C(=O)N(C)CC(=O)NC3CC3)CC2)n[nH]1 ZINC000187222365 154146719 /nfs/dbraw/zinc/14/67/19/154146719.db2.gz TWINUTPZKUZJAS-ZDUSSCGKSA-N 0 0 348.451 -0.034 10 0 EBAERN CC(=O)N1CCN(C(=O)[C@@H](C)N2CCN(c3cc(C)[nH]n3)CC2)CC1 ZINC000187258719 154147013 /nfs/dbraw/zinc/14/70/13/154147013.db2.gz GHTJRRDBLIBZDF-CQSZACIVSA-N 0 0 348.451 -0.081 10 0 EBAERN CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)C1 ZINC000188524403 154148664 /nfs/dbraw/zinc/14/86/64/154148664.db2.gz MRAZKARRARWSKK-ZDUSSCGKSA-N 0 0 333.392 -0.182 10 0 EBAERN CC(=O)N1CC(C(=O)N2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000188475557 154149571 /nfs/dbraw/zinc/14/95/71/154149571.db2.gz PSHRVMMWBHDBAN-UHFFFAOYSA-N 0 0 329.364 -0.749 10 0 EBAERN COCCc1ccccc1NC(=O)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000190901965 154157244 /nfs/dbraw/zinc/15/72/44/154157244.db2.gz GWPHPYFDRGRWDK-HNNXBMFYSA-N 0 0 346.431 -0.070 10 0 EBAERN O=C(CCNC(=O)[C@H]1COCCN1)N1CCN(c2ccccn2)CC1 ZINC000262654165 154243490 /nfs/dbraw/zinc/24/34/90/154243490.db2.gz SVGZNCGAQUMKIG-CQSZACIVSA-N 0 0 347.419 -0.775 10 0 EBAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CCN2CCCS2(=O)=O)C1 ZINC000262687449 154243515 /nfs/dbraw/zinc/24/35/15/154243515.db2.gz AYRQJHNFRADVTR-UHFFFAOYSA-N 0 0 347.437 -0.534 10 0 EBAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2C[C@@H](OC)[C@H](OC)C2)C1 ZINC000263512142 154258739 /nfs/dbraw/zinc/25/87/39/154258739.db2.gz ZCLAMUZRQNKIEJ-FIYWTHMPSA-N 0 0 329.397 -0.021 10 0 EBAERN CCCNC(=O)[C@H]1CCCN(C(=O)[C@H]2C[C@H](O)CN2C(C)=O)C1 ZINC000365470175 157514729 /nfs/dbraw/zinc/51/47/29/157514729.db2.gz WWUCKJBUOIFEDV-MELADBBJSA-N 0 0 325.409 -0.267 10 0 EBAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407955066 157699990 /nfs/dbraw/zinc/69/99/90/157699990.db2.gz HAPVMOWLFXTWOQ-VXGBXAGGSA-N 0 0 330.406 -0.036 10 0 EBAERN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cnccn2)CC1 ZINC000407954802 157700005 /nfs/dbraw/zinc/70/00/05/157700005.db2.gz OWBZQIRFLJNTNQ-CYBMUJFWSA-N 0 0 333.392 -0.518 10 0 EBAERN Cc1noc([C@H]2CN(C(=O)CN(C)S(C)(=O)=O)CCN2C)n1 ZINC000408034508 157705597 /nfs/dbraw/zinc/70/55/97/157705597.db2.gz FTWIEEVBJAQEMB-SNVBAGLBSA-N 0 0 331.398 -0.915 10 0 EBAERN C[C@@H]1CCCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)[C@H]1CO ZINC000408137551 157712495 /nfs/dbraw/zinc/71/24/95/157712495.db2.gz JOMBAWAZQGUSPI-MFKMUULPSA-N 0 0 346.387 -0.135 10 0 EBAERN CC(=O)N1CC[C@@H](C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)C1 ZINC000408355076 157721904 /nfs/dbraw/zinc/72/19/04/157721904.db2.gz PMKOFKLUTPPACM-CYBMUJFWSA-N 0 0 338.408 -0.950 10 0 EBAERN CN(C)S(=O)(=O)c1ccccc1NC(=O)N1C[C@H](O)[C@@H](O)C1 ZINC000408398562 157724904 /nfs/dbraw/zinc/72/49/04/157724904.db2.gz YZQRSPDRHDOVQU-QWRGUYRKSA-N 0 0 329.378 -0.494 10 0 EBAERN CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H](C)[C@H]1CO ZINC000408010930 286687682 /nfs/dbraw/zinc/68/76/82/286687682.db2.gz NLYZVMNTORTQQG-GHMZBOCLSA-N 0 0 328.456 -0.652 10 0 EBAERN C[C@@H](O)CN1CCN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)CC1 ZINC000372557210 287093369 /nfs/dbraw/zinc/09/33/69/287093369.db2.gz LXHGEKJCTYLFSF-VWYCJHECSA-N 0 0 337.342 -0.032 10 0 EBAERN CC[C@@H]1OCCC[C@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC ZINC000408380006 287339448 /nfs/dbraw/zinc/33/94/48/287339448.db2.gz RZXVLGLQTVLIIC-UTUOFQBUSA-N 0 0 333.406 -0.010 10 0 EBAERN Cn1c2ccc(S(=O)(=O)N[C@H]3CCOC[C@@H]3O)cc2n(C)c1=O ZINC000625598471 419014078 /nfs/dbraw/zinc/01/40/78/419014078.db2.gz RRYBYYRMMUGQQH-GWCFXTLKSA-N 0 0 341.389 -0.695 10 0 EBAERN C[C@@H]1Cc2cc(S(=O)(=O)N3CCOC[C@H]3C(N)=O)ccc2O1 ZINC000271982543 419091316 /nfs/dbraw/zinc/09/13/16/419091316.db2.gz OVMYUVMNSOUAPJ-SKDRFNHKSA-N 0 0 326.374 -0.115 10 0 EBAERN C[C@@H](C(=O)N1CCN2C(=O)NC[C@H]2C1)N1C(=O)c2ccccc2C1=O ZINC000644016024 419097903 /nfs/dbraw/zinc/09/79/03/419097903.db2.gz YKNHMYDQEHALMT-QWRGUYRKSA-N 0 0 342.355 -0.093 10 0 EBAERN CCS(=O)(=O)N1CCC(NC(=O)N[C@@H]2CCCNC2=O)CC1 ZINC000407984450 419129334 /nfs/dbraw/zinc/12/93/34/419129334.db2.gz XWJMIYVTLGJLSO-LLVKDONJSA-N 0 0 332.426 -0.622 10 0 EBAERN CC(=O)N[C@@H]1CCCN([C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000407991740 419130834 /nfs/dbraw/zinc/13/08/34/419130834.db2.gz XSAKOOWXWUJTSY-MRVWCRGKSA-N 0 0 345.465 -0.379 10 0 EBAERN CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC(=O)Cn2ccnn2)n1 ZINC000583621818 419151199 /nfs/dbraw/zinc/15/11/99/419151199.db2.gz WOHDOBWUVDLTEB-RYUDHWBXSA-N 0 0 348.386 -0.133 10 0 EBAERN CN1CCS(=O)(=O)C[C@@H]1CC(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000644445753 419162221 /nfs/dbraw/zinc/16/22/21/419162221.db2.gz JWEVCLJSWFZUDP-LBPRGKRZSA-N 0 0 339.417 -0.209 10 0 EBAERN COCCN1CCN(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)C[C@H]1C ZINC000408237702 419244062 /nfs/dbraw/zinc/24/40/62/419244062.db2.gz ROQMMMUGHXEEQI-RDBSUJKOSA-N 0 0 335.470 -0.007 10 0 EBAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@]2(C)CCCNC2=O)C1 ZINC000408370309 419251539 /nfs/dbraw/zinc/25/15/39/419251539.db2.gz JHPFDWUJGSOBJS-RISCZKNCSA-N 0 0 331.438 -0.169 10 0 EBAERN CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)[C@H]1CCOC1 ZINC000408098205 419206585 /nfs/dbraw/zinc/20/65/85/419206585.db2.gz BUUVQKPUJUQTBU-NSHDSACASA-N 0 0 343.405 -0.104 10 0 EBAERN CN(C)C(=O)CCN1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)CC1 ZINC000328966833 419438178 /nfs/dbraw/zinc/43/81/78/419438178.db2.gz NCPTZJAQFHKBRC-GFCCVEGCSA-N 0 0 334.424 -0.468 10 0 EBAERN CN(CC(N)=O)C[C@H]1CN(C(=O)NC[C@H]2CN(C)CCO2)CCO1 ZINC000333124930 419589937 /nfs/dbraw/zinc/58/99/37/419589937.db2.gz HRTSIUSXGBQMFY-STQMWFEESA-N 0 0 343.428 -0.806 10 0 EBAERN O=C(CN1CC[C@H](N2CCOCC2)C1)NCCCN1CCCC1=O ZINC000173938830 419768761 /nfs/dbraw/zinc/76/87/61/419768761.db2.gz IYLOUSQISZVCLT-HNNXBMFYSA-N 0 0 338.452 -0.478 10 0 EBAERN COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCC(=O)NC23CCC3)CCO1 ZINC000375010833 420788639 /nfs/dbraw/zinc/78/86/39/420788639.db2.gz MTXHTLZCYCCWGU-QWRGUYRKSA-N 0 0 325.365 -0.229 10 0 EBAERN CN(C)C(=O)c1cc(S(=O)(=O)N2C[C@@H](F)C[C@@H]2CO)cn1C ZINC000444279347 272842342 /nfs/dbraw/zinc/84/23/42/272842342.db2.gz QQKCLDNDWVPBRH-VHSXEESVSA-N 0 0 333.385 -0.180 10 0 EBAERN C[C@@H](N[C@@H](CO)c1ccccc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000182902383 274256187 /nfs/dbraw/zinc/25/61/87/274256187.db2.gz LBVJJGVEIQDMML-PWSUYJOCSA-N 0 0 346.387 -0.439 10 0 EBAERN C[C@@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)C[C@@H]1N1CCOCC1 ZINC000267558875 274368015 /nfs/dbraw/zinc/36/80/15/274368015.db2.gz UKHAYKCCXVPLBM-MNOVXSKESA-N 0 0 348.407 -0.471 10 0 EBAERN C[C@H](N[C@H](CO)c1ccccc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000182902408 274524758 /nfs/dbraw/zinc/52/47/58/274524758.db2.gz LBVJJGVEIQDMML-CMPLNLGQSA-N 0 0 346.387 -0.439 10 0 EBAERN CC(=O)OC[C@@H]1O[C@@H](O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000015206182 278219255 /nfs/dbraw/zinc/21/92/55/278219255.db2.gz IEOLRPPTIGNUNP-ODXJTPSBSA-N 0 0 348.304 -0.938 10 0 EBAERN CC(=O)OC[C@@H]1O[C@@H]2O[C@H](C)O[C@@H]2[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000248024332 278219326 /nfs/dbraw/zinc/21/93/26/278219326.db2.gz NBWFYJVPTWVPKZ-JJEKRJTGSA-N 0 0 332.305 -0.101 10 0 EBAERN CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H]2OC(=O)O[C@H]2[C@@H]1OC(C)=O ZINC000022067121 278219953 /nfs/dbraw/zinc/21/99/53/278219953.db2.gz YVYSWHGJPLCVAV-GCHJQGSQSA-N 0 0 332.261 -0.327 10 0 in-vitro EBAERN O=C1[C@H](N2CCN3C(=O)C(=O)NC[C@H]3C2)CCN1c1ccccc1F ZINC000246704331 280323626 /nfs/dbraw/zinc/32/36/26/280323626.db2.gz 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/nfs/dbraw/zinc/88/67/77/376886777.db2.gz RYNJMUKICAAUMV-OLZOCXBDSA-N 0 0 348.469 -0.571 10 0 EBAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000408406849 376893395 /nfs/dbraw/zinc/89/33/95/376893395.db2.gz OYRVFDBBQHQNJB-NSHDSACASA-N 0 0 342.425 -0.292 10 0 EBAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000408423356 376907972 /nfs/dbraw/zinc/90/79/72/376907972.db2.gz AQZYQIXFIYFVFS-MNOVXSKESA-N 0 0 332.426 -0.670 10 0 EBAERN CC[C@H](CO)N1CCN(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)CC1 ZINC000408435388 376914708 /nfs/dbraw/zinc/91/47/08/376914708.db2.gz WUNFFTRUXPQBRC-MELADBBJSA-N 0 0 335.470 -0.271 10 0 EBAERN C[C@H]1CCCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)[C@@H]1CO ZINC000408449768 376926662 /nfs/dbraw/zinc/92/66/62/376926662.db2.gz HPPMENCRRLYAAN-NWDGAFQWSA-N 0 0 342.483 -0.310 10 0 EBAERN O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)N1CCO[C@@H](CO)C1 ZINC000408451156 376927672 /nfs/dbraw/zinc/92/76/72/376927672.db2.gz HZMVDWGRZSFEME-NXEZZACHSA-N 0 0 339.314 -0.058 10 0 EBAERN CCCSc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000034360877 377056352 /nfs/dbraw/zinc/05/63/52/377056352.db2.gz RHYLMSGGVCNLOU-QYVSTXNMSA-N 0 0 326.378 -0.060 10 0 EBAERN CN1CC[C@H](C(=O)N2CCN(c3ccc4nncn4n3)CC2)CC1=O ZINC000136436980 377164691 /nfs/dbraw/zinc/16/46/91/377164691.db2.gz FRJYUCFJIXIDQN-LBPRGKRZSA-N 0 0 343.391 -0.359 10 0 EBAERN C[C@H](CN1CCOCC1)NC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000332761938 377311521 /nfs/dbraw/zinc/31/15/21/377311521.db2.gz UUQRGYQBYOSUIZ-RBSFLKMASA-N 0 0 326.441 -0.178 10 0 EBAERN O=C1CCC(=O)N1CCN1CCN(c2ccc3nncn3n2)CC1 ZINC000105817141 377367847 /nfs/dbraw/zinc/36/78/47/377367847.db2.gz JAKBQVLPBZHJFL-UHFFFAOYSA-N 0 0 329.364 -0.605 10 0 EBAERN Cn1c2[nH]c(CN3CCC[C@@H](n4cncn4)C3)nc2c(=O)n(C)c1=O ZINC000105898770 377373119 /nfs/dbraw/zinc/37/31/19/377373119.db2.gz DBTYEVNWKVUAAC-SNVBAGLBSA-N 0 0 344.379 -0.611 10 0 EBAERN Cn1cc(CN2CCCN(C(=O)N[C@H]3CCN(C)C3=O)CC2)cn1 ZINC000163842080 377374114 /nfs/dbraw/zinc/37/41/14/377374114.db2.gz 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CC(=O)OC[C@H]1O[C@H](O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000616585198 378326315 /nfs/dbraw/zinc/32/63/15/378326315.db2.gz IEOLRPPTIGNUNP-BJJPWKGXSA-N 0 0 348.304 -0.938 10 0 EBAERN Cn1ccnc1CC1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000162658796 378373362 /nfs/dbraw/zinc/37/33/62/378373362.db2.gz AHIOENFQGAWXBI-UHFFFAOYSA-N 0 0 345.403 -0.238 10 0 EBAERN Cn1nnnc1SC[C@H]1CS[C@]2(C)[C@H]([NH3+])C(=O)N2[C@H]1C(=O)[O-] ZINC000616589930 378376021 /nfs/dbraw/zinc/37/60/21/378376021.db2.gz TWCQEDQHRRJGKO-ZSJKCOSDSA-N 0 0 344.422 -0.996 10 0 EBAERN CCN(CC)C(=O)CN1CCN(C[C@H](O)CN2CCCC2=O)CC1 ZINC000111682621 378481710 /nfs/dbraw/zinc/48/17/10/378481710.db2.gz GUHHYGIYOTVDJR-HNNXBMFYSA-N 0 0 340.468 -0.544 10 0 EBAERN CCN(CC)c1cc(N2CCN(C(=O)c3nc[nH]n3)CC2)nc(N)n1 ZINC000065526209 379106850 /nfs/dbraw/zinc/10/68/50/379106850.db2.gz URIIUKHHOIDHHL-UHFFFAOYSA-N 0 0 345.411 -0.015 10 0 EBAERN COC(=O)[C@H]1O[C@@H](Oc2ccc(NC(C)=O)cc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC000106380614 379132526 /nfs/dbraw/zinc/13/25/26/379132526.db2.gz PBCDFJAIFOUUBQ-HYFYGGESSA-N 0 0 341.316 -0.996 10 0 EBAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112649406 379318326 /nfs/dbraw/zinc/31/83/26/379318326.db2.gz BUBZCQYJFMXNMA-GHMZBOCLSA-N 0 0 327.410 -0.477 10 0 EBAERN O=C(CCNS(=O)(=O)c1cccs1)N1CCO[C@H](CO)C1 ZINC000167548752 379330928 /nfs/dbraw/zinc/33/09/28/379330928.db2.gz GSCNQOSAFYUQBM-JTQLQIEISA-N 0 0 334.419 -0.364 10 0 EBAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC000366750674 379331818 /nfs/dbraw/zinc/33/18/18/379331818.db2.gz KUUNKFLJUFTQAV-NZBPQXDJSA-N 0 0 341.452 -0.028 10 0 EBAERN CS(=O)(=O)CCS(=O)(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000328608364 379473862 /nfs/dbraw/zinc/47/38/62/379473862.db2.gz ADMYBOSPTWKXBJ-GFCCVEGCSA-N 0 0 334.419 -0.091 10 0 EBAERN CNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c1 ZINC000352051659 379650368 /nfs/dbraw/zinc/65/03/68/379650368.db2.gz DOBSJJBCABUOMZ-UONOGXRCSA-N 0 0 339.417 -0.250 10 0 EBAERN CS(=O)(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000375612850 379744334 /nfs/dbraw/zinc/74/43/34/379744334.db2.gz PRADVUQZDOLTDZ-GHMZBOCLSA-N 0 0 341.437 -0.160 10 0 EBAERN Cn1ccnc1[C@H]1CN(C(=O)NC[C@H]2CN(C)CCO2)CCN1C ZINC000275329278 379750773 /nfs/dbraw/zinc/75/07/73/379750773.db2.gz DTFRTOLUVHTIHJ-UONOGXRCSA-N 0 0 336.440 -0.251 10 0 EBAERN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N[C@@H]1CCCNC1=O)C2=O ZINC000069330635 379918766 /nfs/dbraw/zinc/91/87/66/379918766.db2.gz FXSMWMBAADDWGG-GLKRBJQHSA-N 0 0 336.392 -0.118 10 0 EBAERN Cn1ccnc(N2CCC[C@H](NC(=O)[C@@]3(C)CCC(=O)NC3)C2)c1=O ZINC000282526138 380081182 /nfs/dbraw/zinc/08/11/82/380081182.db2.gz YLWGXZDTJZKFJQ-SJCJKPOMSA-N 0 0 347.419 -0.218 10 0 EBAERN Cc1ccn(C[C@](C)(O)C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c(=O)c1 ZINC000284418836 380181088 /nfs/dbraw/zinc/18/10/88/380181088.db2.gz DQZJUYOBIOQWRK-MPGHIAIKSA-N 0 0 349.431 -0.161 10 0 EBAERN C[C@H]1OCCN(S(=O)(=O)c2ccc3c(c2)CCO3)[C@@H]1C(N)=O ZINC000284843081 380208366 /nfs/dbraw/zinc/20/83/66/380208366.db2.gz WVCSIFVNLATOHI-RNCFNFMXSA-N 0 0 326.374 -0.115 10 0 EBAERN Cn1cc(S(=O)(=O)N2CCO[C@H]3CCN(C)C[C@H]32)cc1C(N)=O ZINC000284861108 380209840 /nfs/dbraw/zinc/20/98/40/380209840.db2.gz CVMCVAAVOULLQY-OLZOCXBDSA-N 0 0 342.421 -0.782 10 0 EBAERN Cc1nn(CC(=O)NC[C@H](O)CN2CCOCC2)c(C)c1Cl ZINC000119572914 380582601 /nfs/dbraw/zinc/58/26/01/380582601.db2.gz KRMSDPWUXVOBMF-LBPRGKRZSA-N 0 0 330.816 -0.037 10 0 EBAERN Cc1nn(CC(=O)NC[C@@H](O)CN2CCOCC2)c(C)c1Cl ZINC000119573105 380583528 /nfs/dbraw/zinc/58/35/28/380583528.db2.gz KRMSDPWUXVOBMF-GFCCVEGCSA-N 0 0 330.816 -0.037 10 0 EBAERN CC(=O)OC[C@@H](OC(C)=O)[C@@H]1OC(=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000015258725 381140717 /nfs/dbraw/zinc/14/07/17/381140717.db2.gz DDWMFFZVZXMXCS-XQHKEYJVSA-N 0 0 346.288 -0.730 10 0 EBAERN CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000368560594 381166225 /nfs/dbraw/zinc/16/62/25/381166225.db2.gz DGSOSKGLFLOVCF-OLZOCXBDSA-N 0 0 347.481 -0.117 10 0 EBAERN CS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000112651072 381256354 /nfs/dbraw/zinc/25/63/54/381256354.db2.gz DOCFSRKBZLGZDC-GHMZBOCLSA-N 0 0 327.410 -0.619 10 0 EBAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)CC2 ZINC000114871223 381259172 /nfs/dbraw/zinc/25/91/72/381259172.db2.gz DSRVNXONKVWNSX-SNVBAGLBSA-N 0 0 346.395 -0.735 10 0 EBAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(=O)n(CCOC)n1)CC2 ZINC000114870170 381259385 /nfs/dbraw/zinc/25/93/85/381259385.db2.gz WCQGJGHHRNYDJS-LLVKDONJSA-N 0 0 346.391 -0.212 10 0 EBAERN Cn1cc(CC(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cn1 ZINC000120007002 381261271 /nfs/dbraw/zinc/26/12/71/381261271.db2.gz PEBVRFGXVPCMLY-CYBMUJFWSA-N 0 0 326.422 -0.011 10 0 EBAERN CO[C@H]1C[C@H](C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)N(S(C)(=O)=O)C1 ZINC000332918512 381270271 /nfs/dbraw/zinc/27/02/71/381270271.db2.gz GZFBCBHEJNGZMS-CLPYTZEMSA-N 0 0 346.449 -0.035 10 0 EBAERN CN1CCC([NH+]2CCC(NC(=O)Cn3[n-]c(=O)ccc3=O)CC2)CC1 ZINC000126704120 381289105 /nfs/dbraw/zinc/28/91/05/381289105.db2.gz MZOKOKBGNDJUIL-UHFFFAOYSA-N 0 0 349.435 -0.789 10 0 EBAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)CC2 ZINC000133886687 381319446 /nfs/dbraw/zinc/31/94/46/381319446.db2.gz QHPWVGRDUKGMOX-LLVKDONJSA-N 0 0 346.391 -0.607 10 0 EBAERN Cc1nc(C(=O)N[C@@H]2CCCN(c3ncc[nH]c3=O)C2)c(=O)[nH]c1C ZINC000332998711 381876277 /nfs/dbraw/zinc/87/62/77/381876277.db2.gz CMJYRCWXABNESJ-LLVKDONJSA-N 0 0 344.375 -0.131 10 0 EBAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000333005384 381878041 /nfs/dbraw/zinc/87/80/41/381878041.db2.gz DTRSULAHTMPOJR-YNEHKIRRSA-N 0 0 341.433 -0.508 10 0 EBAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000333028088 381880819 /nfs/dbraw/zinc/88/08/19/381880819.db2.gz BOPXEXCVIPMQLE-DOERSZECSA-N 0 0 329.422 -0.065 10 0 EBAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CSC[C@@H]1C(=O)NCC1CC1 ZINC000333077877 381886263 /nfs/dbraw/zinc/88/62/63/381886263.db2.gz WIYSRWKCJKKOAM-YNEHKIRRSA-N 0 0 341.433 -0.604 10 0 EBAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000058920826 381864893 /nfs/dbraw/zinc/86/48/93/381864893.db2.gz RGURUPAULLRZDQ-GFCCVEGCSA-N 0 0 336.392 -0.322 10 0 EBAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 ZINC000333204077 381899479 /nfs/dbraw/zinc/89/94/79/381899479.db2.gz BLYBEPKEVIPJCX-WCQYABFASA-N 0 0 333.344 -0.038 10 0 EBAERN COc1cnc(NC(=O)N2CCC[C@@H](N3CCNCC3=O)C2)nc1 ZINC000333337451 381910135 /nfs/dbraw/zinc/91/01/35/381910135.db2.gz PEUMENOFOHZBFO-LLVKDONJSA-N 0 0 334.380 -0.087 10 0 EBAERN O=C([C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@@H](CO)C1)N1CCOCC1 ZINC000333386117 381913511 /nfs/dbraw/zinc/91/35/11/381913511.db2.gz BSGCRINAQAMBMC-RBSFLKMASA-N 0 0 338.404 -0.353 10 0 EBAERN CO[C@H]1C[C@H](C(=O)Nc2cc(C)cn(C)c2=O)N(S(C)(=O)=O)C1 ZINC000333445207 381922582 /nfs/dbraw/zinc/92/25/82/381922582.db2.gz QMICUPDLASVAPE-CMPLNLGQSA-N 0 0 343.405 -0.319 10 0 EBAERN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2C(=O)N2CCSCC2)O1 ZINC000370490242 382052588 /nfs/dbraw/zinc/05/25/88/382052588.db2.gz GPNHSNOBENJQHY-SDDRHHMPSA-N 0 0 341.433 -0.414 10 0 EBAERN OC[C@H]1O[C@@H](Oc2c[nH]c3cc(Cl)ccc23)[C@H](O)[C@H](O)[C@@H]1O ZINC000015205887 382021996 /nfs/dbraw/zinc/02/19/96/382021996.db2.gz OQWBAXBVBGNSPW-DHGKCCLASA-N 0 0 329.736 0.000 10 0 EBAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCO[C@H](Cn3cccn3)C2)C1 ZINC000105889208 382095188 /nfs/dbraw/zinc/09/51/88/382095188.db2.gz TVUOGWKSRNITPX-KBPBESRZSA-N 0 0 335.408 -0.692 10 0 EBAERN CS(=O)(=O)N1CCC([C@@H]2CCN(C(=O)Cn3cnnn3)C2)CC1 ZINC000169782101 382132090 /nfs/dbraw/zinc/13/20/90/382132090.db2.gz MKKTVRKWLLPRID-GFCCVEGCSA-N 0 0 342.425 -0.807 10 0 EBAERN Cn1nccc1C(=O)NC(C)(C)c1nc2c(c(C(N)=O)n1)OCO2 ZINC000065293268 382206796 /nfs/dbraw/zinc/20/67/96/382206796.db2.gz GUSICQSGNSIJFO-UHFFFAOYSA-N 0 0 332.320 -0.297 10 0 EBAERN CC1(C)O[C@@H]2C[C@@H]3OC(C)(C)O[C@@]3(COS(N)(=O)=O)O[C@@H]2O1 ZINC000334163377 258016034 /nfs/dbraw/zinc/01/60/34/258016034.db2.gz ZKQFXRVJUBCEBG-JDVQERKKSA-N 0 0 339.366 -0.048 10 0 EBAERN CCN1C[C@@]2(CC1=O)CN(C(=O)NC)CCN(S(C)(=O)=O)C2 ZINC000096262129 285446632 /nfs/dbraw/zinc/44/66/32/285446632.db2.gz HUXROCATFBDYMT-ZDUSSCGKSA-N 0 0 332.426 -0.858 10 0 EBAERN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@H]2CCOC2)CC1 ZINC000328637553 155184774 /nfs/dbraw/zinc/18/47/74/155184774.db2.gz CVTTYOZZAZUDMG-KBPBESRZSA-N 0 0 325.409 -0.586 10 0 EBAERN CO[C@H]1C[C@H](C(=O)N=c2nc[nH]n2C(C)(C)C)N(S(C)(=O)=O)C1 ZINC000328713985 155188349 /nfs/dbraw/zinc/18/83/49/155188349.db2.gz CWPKTFZALNXJQY-VHSXEESVSA-N 0 0 345.425 -0.558 10 0 EBAERN C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCOCC1 ZINC000328778117 155189973 /nfs/dbraw/zinc/18/99/73/155189973.db2.gz DJRAXOBUCVUZGM-ZIAGYGMSSA-N 0 0 325.409 -0.443 10 0 EBAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCN(C)[C@H](c3nccn3C)C2)C1 ZINC000329084456 155205585 /nfs/dbraw/zinc/20/55/85/155205585.db2.gz SYHPKRHPOYRBCD-YOEHRIQHSA-N 0 0 349.435 -0.391 10 0 EBAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000329116356 155205890 /nfs/dbraw/zinc/20/58/90/155205890.db2.gz INSVXSAYPMTZJX-GDBMZVCRSA-N 0 0 336.392 -0.516 10 0 EBAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCC[C@H](Cn3cncn3)C2)C1 ZINC000329135347 155208850 /nfs/dbraw/zinc/20/88/50/155208850.db2.gz QNZIJNSBNWUCQS-HOCLYGCPSA-N 0 0 335.408 -0.110 10 0 EBAERN O=C([C@H]1CNC(=O)C1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000329533140 155229741 /nfs/dbraw/zinc/22/97/41/155229741.db2.gz KGDPZDPVWUNZES-NEPJUHHUSA-N 0 0 345.421 -0.384 10 0 EBAERN C[C@H]1CN(C(=O)CCSc2nnnn2C)C[C@H]1N1CCOCC1 ZINC000329683239 155235205 /nfs/dbraw/zinc/23/52/05/155235205.db2.gz XQTQIRLDJYTBLP-NWDGAFQWSA-N 0 0 340.453 -0.129 10 0 EBAERN CCc1nnc([C@@H]2CN(S(=O)(=O)c3cn(C)cn3)CCO2)[nH]1 ZINC000329679381 155235525 /nfs/dbraw/zinc/23/55/25/155235525.db2.gz VXUOEOOYRPGZRC-VIFPVBQESA-N 0 0 326.382 -0.137 10 0 EBAERN COCCN1CCCN([C@@H]2CCN(C3CCOCC3)C2=O)CC1=O ZINC000329891832 155244086 /nfs/dbraw/zinc/24/40/86/155244086.db2.gz ILHAFAVFGYEYNB-OAHLLOKOSA-N 0 0 339.436 -0.053 10 0 EBAERN C[C@@H](O)C(=O)N1CCN(C(=O)C[C@@H](C)N2CCCCC2=O)CC1 ZINC000329974392 155248699 /nfs/dbraw/zinc/24/86/99/155248699.db2.gz XIELMAAZSBNTOR-CHWSQXEVSA-N 0 0 325.409 -0.171 10 0 EBAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N(C)[C@@H]1COC[C@H]1O ZINC000330233653 155259304 /nfs/dbraw/zinc/25/93/04/155259304.db2.gz XYTPIFZWDNNSQH-MGPQQGTHSA-N 0 0 334.438 -0.201 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(C(C)=O)CC1 ZINC000105424883 154087959 /nfs/dbraw/zinc/08/79/59/154087959.db2.gz WGHKNKWAFYPIOP-ZDUSSCGKSA-N 0 0 331.438 -0.119 10 0 EBAERN O=C(CCn1nc2ccccn2c1=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172749191 154099017 /nfs/dbraw/zinc/09/90/17/154099017.db2.gz GQLVOIMVEPCPSP-AWEZNQCLSA-N 0 0 345.403 -0.181 10 0 EBAERN Cc1cc(N2CCC[C@@H](NC(=O)[C@@H]3CN(C)CCO3)C2=O)n(C)n1 ZINC000173450056 154102056 /nfs/dbraw/zinc/10/20/56/154102056.db2.gz HPRSJQKJSRDBLN-OLZOCXBDSA-N 0 0 335.408 -0.329 10 0 EBAERN NC(=O)Cn1cc(C(=O)NCc2cccnc2-n2ccnc2)nn1 ZINC000173324019 154102071 /nfs/dbraw/zinc/10/20/71/154102071.db2.gz SUOYYGWAJNDWIK-UHFFFAOYSA-N 0 0 326.320 -0.726 10 0 EBAERN CS(=O)(=O)N1CCC(C(=O)N[C@H]2CCCn3ncnc32)CC1 ZINC000177613757 154116519 /nfs/dbraw/zinc/11/65/19/154116519.db2.gz DCAKZUFFFWGXSS-NSHDSACASA-N 0 0 327.410 -0.099 10 0 EBAERN C[C@H](Sc1nnnn1C1CC1)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000178730358 154119609 /nfs/dbraw/zinc/11/96/09/154119609.db2.gz ANRPVDWJHVQCHT-JQWIXIFHSA-N 0 0 337.453 -0.395 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000178718745 154120884 /nfs/dbraw/zinc/12/08/84/154120884.db2.gz OFDIFMVDCHEDFG-KGLIPLIRSA-N 0 0 344.481 -0.693 10 0 EBAERN CCN(CC)S(=O)(=O)CC(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181373389 154129079 /nfs/dbraw/zinc/12/90/79/154129079.db2.gz RPYCDGDZEGJJNU-CYBMUJFWSA-N 0 0 343.453 -0.435 10 0 EBAERN C[C@@H](N[C@H](CO)c1ccccc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000182902426 154135338 /nfs/dbraw/zinc/13/53/38/154135338.db2.gz LBVJJGVEIQDMML-ZYHUDNBSSA-N 0 0 346.387 -0.439 10 0 EBAERN COC(=O)Cn1cc(CCN2CCN(c3cc(C)[nH]n3)CC2)nn1 ZINC000187196433 154145721 /nfs/dbraw/zinc/14/57/21/154145721.db2.gz ROVHTLIVMCPOAT-UHFFFAOYSA-N 0 0 333.396 -0.153 10 0 EBAERN Cc1cc(N2CCN(C(=O)NCCNC(=O)c3ccn[nH]3)CC2)n[nH]1 ZINC000186829070 154146490 /nfs/dbraw/zinc/14/64/90/154146490.db2.gz ABYBHVPRCXTCTE-UHFFFAOYSA-N 0 0 346.395 -0.297 10 0 EBAERN O=C(c1cc2c(cn1)nc[nH]c2=O)N1CC[C@H](N2CCOCC2)C1 ZINC000189903130 154155373 /nfs/dbraw/zinc/15/53/73/154155373.db2.gz KKJPOSZWDDMYKI-NSHDSACASA-N 0 0 329.360 -0.135 10 0 EBAERN CC(=O)NC1CN(C(=O)CCn2c3ccccc3c(=O)[nH]c2=O)C1 ZINC000191490951 154156707 /nfs/dbraw/zinc/15/67/07/154156707.db2.gz CQSVPDPHAIGMGT-UHFFFAOYSA-N 0 0 330.344 -0.573 10 0 EBAERN C[C@@H]1CN(C(=O)NC[C@H]2CN(C)CCO2)C[C@@H]1N1CCOCC1 ZINC000246121625 154181635 /nfs/dbraw/zinc/18/16/35/154181635.db2.gz LLCGFAJKLLKDLX-ILXRZTDVSA-N 0 0 326.441 -0.321 10 0 EBAERN Cn1cc(S(=O)(=O)N2CCN3CCCC[C@H]3C2)cc1C(N)=O ZINC000249759068 154192342 /nfs/dbraw/zinc/19/23/42/154192342.db2.gz LSJAEHKLLUYALM-NSHDSACASA-N 0 0 326.422 -0.017 10 0 EBAERN C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262306511 154222941 /nfs/dbraw/zinc/22/29/41/154222941.db2.gz QBCLRMLTLXVGEK-GUBZILKMSA-N 0 0 333.435 -0.889 10 0 EBAERN COC(=O)c1cc(NC(=O)[C@H]2COCCN2)cc(S(C)(=O)=O)c1 ZINC000262625133 154240625 /nfs/dbraw/zinc/24/06/25/154240625.db2.gz IPZKEYPROKMMLR-GFCCVEGCSA-N 0 0 342.373 -0.196 10 0 EBAERN COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@@H]3COCCN3)C2=O)c1 ZINC000262635023 154240940 /nfs/dbraw/zinc/24/09/40/154240940.db2.gz MODDSSFGDDUFIT-GJZGRUSLSA-N 0 0 349.387 -0.086 10 0 EBAERN COC(=O)c1cc(NC(=O)[C@@H]2COCCN2)cc(S(C)(=O)=O)c1 ZINC000262625134 154241212 /nfs/dbraw/zinc/24/12/12/154241212.db2.gz IPZKEYPROKMMLR-LBPRGKRZSA-N 0 0 342.373 -0.196 10 0 EBAERN CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@@H]2COCCN2)cc1 ZINC000262630884 154241375 /nfs/dbraw/zinc/24/13/75/154241375.db2.gz WELRZHGCGWMTBE-MFKMUULPSA-N 0 0 327.406 -0.240 10 0 EBAERN CNC(=O)c1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)C2)cc1 ZINC000265635123 154322608 /nfs/dbraw/zinc/32/26/08/154322608.db2.gz GOOXUAFKNOHITL-JTQLQIEISA-N 0 0 346.430 -0.146 10 0 EBAERN Cc1cc(N2CCC[C@@H](NC(=O)N3CCNC(=O)[C@@H]3C)C2=O)n(C)n1 ZINC000266853792 154355070 /nfs/dbraw/zinc/35/50/70/154355070.db2.gz ZWLMMNVCFPFQJV-NWDGAFQWSA-N 0 0 348.407 -0.246 10 0 EBAERN Cc1cc(N2CCC[C@@H](NC(=O)N[C@H]3CC(=O)N(C)C3)C2=O)n(C)n1 ZINC000267758418 154389730 /nfs/dbraw/zinc/38/97/30/154389730.db2.gz WKWGOJBCQZPTSM-NWDGAFQWSA-N 0 0 348.407 -0.246 10 0 EBAERN CN1C[C@@H](NC(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)CC1=O ZINC000275723884 154663301 /nfs/dbraw/zinc/66/33/01/154663301.db2.gz OWMJMLPOADOMGA-RYUDHWBXSA-N 0 0 348.407 -0.721 10 0 EBAERN CC1(C)CNC(=O)CN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000281935958 154789180 /nfs/dbraw/zinc/78/91/80/154789180.db2.gz HSECEXNNSBWLMH-UHFFFAOYSA-N 0 0 346.430 -0.011 10 0 EBAERN O=C(c1csc(S(=O)(=O)N2CCOCC2)c1)N1CC[C@@H](O)C1 ZINC000408001978 157702384 /nfs/dbraw/zinc/70/23/84/157702384.db2.gz RSPITTYLYJMEOZ-LLVKDONJSA-N 0 0 346.430 -0.024 10 0 EBAERN CC[C@@H](CO)N1CCN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000408015313 157704122 /nfs/dbraw/zinc/70/41/22/157704122.db2.gz BCDPWGKTLVWUGT-QWHCGFSZSA-N 0 0 333.454 -0.386 10 0 EBAERN C[C@H](NC(=O)C1CCN(C(=O)N(C)C)CC1)C(=O)N1CCOCC1 ZINC000408115280 157710713 /nfs/dbraw/zinc/71/07/13/157710713.db2.gz IPBKJYMONQXQJM-LBPRGKRZSA-N 0 0 340.424 -0.257 10 0 EBAERN CO[C@H]1C[C@H](C(=O)N2CCC[C@](F)(CO)C2)N(S(C)(=O)=O)C1 ZINC000408119799 157711757 /nfs/dbraw/zinc/71/17/57/157711757.db2.gz PAPZZKIUJVSHLY-DMDPSCGWSA-N 0 0 338.401 -0.642 10 0 EBAERN CC(=O)N1CC[C@H](C(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)C1 ZINC000408392023 157724470 /nfs/dbraw/zinc/72/44/70/157724470.db2.gz BGEVIQDDQMEJPO-QWHCGFSZSA-N 0 0 331.438 -0.217 10 0 EBAERN C[C@H](O)CN1CCN(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)C[C@H]1C ZINC000408434761 419019496 /nfs/dbraw/zinc/01/94/96/419019496.db2.gz RXNOVGNTIINZSH-MQYQWHSLSA-N 0 0 335.470 -0.273 10 0 EBAERN C[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1)[C@H]1CCOC1 ZINC000332815235 418979977 /nfs/dbraw/zinc/97/99/77/418979977.db2.gz WOVJWYIMUDLWHU-ZOBORPQBSA-N 0 0 326.393 -0.066 10 0 EBAERN CC(C)(C)c1nnsc1C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000087456730 419001464 /nfs/dbraw/zinc/00/14/64/419001464.db2.gz WGWMFWRLUXXYFL-UHFFFAOYSA-N 0 0 333.439 -0.203 10 0 EBAERN C[C@@H]1CC(=O)N[C@H](C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000407984072 419129510 /nfs/dbraw/zinc/12/95/10/419129510.db2.gz HEIAWIHEWKKYES-KBPBESRZSA-N 0 0 336.436 -0.332 10 0 EBAERN Cc1oc(C(=O)N2CCO[C@@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC000408001228 419132101 /nfs/dbraw/zinc/13/21/01/419132101.db2.gz BJCAZEYUGAHEQM-SNVBAGLBSA-N 0 0 332.378 -0.328 10 0 EBAERN CO[C@@H](C)CS(=O)(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000408031969 419137068 /nfs/dbraw/zinc/13/70/68/419137068.db2.gz QYDRBIXJDHCRDT-GXTWGEPZSA-N 0 0 334.438 -0.200 10 0 EBAERN Cc1nnc(NC(=O)C[C@@H]2CS(=O)(=O)CCN2C)n1C1CC1 ZINC000644459583 419163217 /nfs/dbraw/zinc/16/32/17/419163217.db2.gz AEDPDWPJHSCRMS-LLVKDONJSA-N 0 0 327.410 -0.021 10 0 EBAERN 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-0.306 10 0 EBAERN Cc1oc(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)cc1S(N)(=O)=O ZINC000352053787 294030213 /nfs/dbraw/zinc/03/02/13/294030213.db2.gz WFYCQGNQDCKKNM-ONGXEEELSA-N 0 0 329.378 -0.610 10 0 EBAERN Cn1c2[nH]c(CN3CCCC[C@@H]3c3nc[nH]n3)nc2c(=O)n(C)c1=O ZINC000182749726 294174771 /nfs/dbraw/zinc/17/47/71/294174771.db2.gz PYQQPDAHBKLOTH-SECBINFHSA-N 0 0 344.379 -0.194 10 0 EBAERN CO[C@H]1C[C@H](C(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)N(S(C)(=O)=O)C1 ZINC000329832322 294644553 /nfs/dbraw/zinc/64/45/53/294644553.db2.gz FYFSPVIBOVIFBU-YIYPIFLZSA-N 0 0 346.449 -0.080 10 0 EBAERN NC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)C[C@@]3(CCSC3)C2=O)C1 ZINC000408279502 295107423 /nfs/dbraw/zinc/10/74/23/295107423.db2.gz AHHWYKWAJCBWEY-MEBBXXQBSA-N 0 0 339.417 -0.408 10 0 EBAERN CS(=O)(=O)N1CCO[C@H]2CN(C(=O)c3cnccn3)C[C@H]2C1 ZINC000247562150 295522966 /nfs/dbraw/zinc/52/29/66/295522966.db2.gz ZAPIPCUYWUAJPO-JQWIXIFHSA-N 0 0 326.378 -0.791 10 0 EBAERN O=C(N1CCCC1)[C@]1(O)CCCN(S(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000408030803 295567809 /nfs/dbraw/zinc/56/78/09/295567809.db2.gz IDLUTBWWBKXVML-HIFRSBDPSA-N 0 0 346.449 -0.198 10 0 EBAERN Cc1c([C@H]2[C@@H](C(=O)N(C)Cc3nnnn3C)CC(=O)N2C)cnn1C ZINC000330342997 301009751 /nfs/dbraw/zinc/00/97/51/301009751.db2.gz BLWRGBBWMLSSMS-IINYFYTJSA-N 0 0 346.395 -0.570 10 0 EBAERN Cc1ccn(C[C@](C)(O)C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)c(=O)c1 ZINC000284420392 302258736 /nfs/dbraw/zinc/25/87/36/302258736.db2.gz DQZJUYOBIOQWRK-VKJFTORMSA-N 0 0 349.431 -0.161 10 0 EBAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(I)c[nH]1 ZINC000091778699 303307352 /nfs/dbraw/zinc/30/73/52/303307352.db2.gz QNEPWGVPYSGUMY-QMMMGPOBSA-N 0 0 349.128 -0.054 10 0 EBAERN [O-][n+]1onc2c1CCC1=[N+]([O-])[C@]3(N4CCOCC4)CCC[C@@H]3[C@@]21O ZINC000019327275 304849665 /nfs/dbraw/zinc/84/96/65/304849665.db2.gz BCHAWVBICZFBNU-GLQYFDAESA-N 0 0 336.348 -0.765 10 0 EBAERN C[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1nnc2n1CCCC2 ZINC000135236510 524994477 /nfs/dbraw/zinc/99/44/77/524994477.db2.gz ICSHCNLVOBYOII-JTQLQIEISA-N 0 0 332.364 -0.648 10 0 EBAERN O=C(NCCOCCO)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000170562798 526353858 /nfs/dbraw/zinc/35/38/58/526353858.db2.gz HDWDUSQDMXQEGB-LLVKDONJSA-N 0 0 336.344 -0.107 10 0 EBAERN Cc1nnc(CC(=O)N2CCN(C[C@@H]3CN(C)CCO3)C[C@@H]2C)[nH]1 ZINC000668350510 545654438 /nfs/dbraw/zinc/65/44/38/545654438.db2.gz MWULGHGJGQWJEV-JSGCOSHPSA-N 0 0 336.440 -0.481 10 0 EBAERN CN(C)c1ncc(CNC(=O)c2coc(CN3CC[C@H](O)C3)n2)n1C ZINC000685943854 545834540 /nfs/dbraw/zinc/83/45/40/545834540.db2.gz CQAVPIKCGZNCHF-LBPRGKRZSA-N 0 0 348.407 -0.029 10 0 EBAERN CCC(=O)N1CSC[C@H]1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000332764443 545845815 /nfs/dbraw/zinc/84/58/15/545845815.db2.gz HMZVFGGTBKGHFN-NEPJUHHUSA-N 0 0 331.438 -0.893 10 0 EBAERN CS(=O)(=O)N1CCN(CC(=O)N2C[C@@H]3CC[C@@H](O)C[C@H]3C2)CC1 ZINC000333250454 545858679 /nfs/dbraw/zinc/85/86/79/545858679.db2.gz GRSJEERPHUDTFR-MELADBBJSA-N 0 0 345.465 -0.817 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@]1(C)CCC(=O)N1 ZINC000333291170 545860380 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OC[C@@H]1O[C@H](Oc2c[nH]c3cc(Cl)ccc23)[C@H](O)[C@H](O)[C@H]1O ZINC000015206509 201953395 /nfs/dbraw/zinc/95/33/95/201953395.db2.gz OQWBAXBVBGNSPW-QNSTZXKLSA-N 0 0 329.736 0.000 10 0 EBAERN C[C@H](O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 ZINC000067902575 202052479 /nfs/dbraw/zinc/05/24/79/202052479.db2.gz SCUSKAVTYFDOEU-PQZGBVCXSA-N 0 0 328.361 -0.821 10 0 biogenic EBAERN CCNC(=O)C(CC(=O)OC)=Nc1ccc(S(N)(=O)=O)cc1 ZINC000021946120 202074137 /nfs/dbraw/zinc/07/41/37/202074137.db2.gz KQVQJNXPALPIBI-FLIBITNWSA-N 0 0 327.362 -0.061 10 0 EBAERN CNC(=O)N[C@H]1CCN([C@@H](C)C(=O)N2CCN(C(C)=O)CC2)C1 ZINC000408258559 283375937 /nfs/dbraw/zinc/37/59/37/283375937.db2.gz YEZXWGLTOMMWMA-AAEUAGOBSA-N 0 0 325.413 -0.931 10 0 EBAERN Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCN4CCCC[C@@H]4C3)cnc21 ZINC000071839986 203125449 /nfs/dbraw/zinc/12/54/49/203125449.db2.gz QGALAZOJVZGLRP-GFCCVEGCSA-N 0 0 343.387 -0.068 10 0 EBAERN COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H](O)C1CCCCC1 ZINC000408416627 291499672 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CC(=O)N1CC[C@@H](C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)C1 ZINC000408049037 376294067 /nfs/dbraw/zinc/29/40/67/376294067.db2.gz UHCYKZXYTHFUMC-MCIONIFRSA-N 0 0 341.383 -0.347 10 0 EBAERN CCNC(=O)NC(=O)[C@H](C)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408046582 376295384 /nfs/dbraw/zinc/29/53/84/376295384.db2.gz XKNDLTHJKWKHQL-TUAOUCFPSA-N 0 0 344.387 -0.508 10 0 EBAERN O=C(CN1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O)N1CCNC(=O)C1 ZINC000408044403 376295682 /nfs/dbraw/zinc/29/56/82/376295682.db2.gz NOCWYONAVGMUFQ-MCIONIFRSA-N 0 0 325.409 -0.803 10 0 EBAERN CC(=O)N1CC[C@H](C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)C1 ZINC000408046849 376297821 /nfs/dbraw/zinc/29/78/21/376297821.db2.gz NGRVEKKAWJXRJY-STQMWFEESA-N 0 0 331.438 -0.215 10 0 EBAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000408053734 376298753 /nfs/dbraw/zinc/29/87/53/376298753.db2.gz PHAHXAXXFCGIIH-ZBFHGGJFSA-N 0 0 325.409 -0.707 10 0 EBAERN CC(=O)N1CC(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)C1 ZINC000408052641 376299146 /nfs/dbraw/zinc/29/91/46/376299146.db2.gz LRDFUMABJUQZJI-OLZOCXBDSA-N 0 0 327.356 -0.738 10 0 EBAERN CC(=O)N1CCC[C@@](O)(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)C1 ZINC000408052902 376299753 /nfs/dbraw/zinc/29/97/53/376299753.db2.gz MTWNVVNKJFMOLB-PBHICJAKSA-N 0 0 349.435 -0.122 10 0 EBAERN CC(=O)N1CC[C@H](C(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)C1 ZINC000408055320 376299801 /nfs/dbraw/zinc/29/98/01/376299801.db2.gz TUBNXWGRFYKHSF-RWMBFGLXSA-N 0 0 331.438 -0.169 10 0 EBAERN COCCN1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000408181852 376407803 /nfs/dbraw/zinc/40/78/03/376407803.db2.gz GUXPIUPLLMFECL-IHRRRGAJSA-N 0 0 335.470 -0.007 10 0 EBAERN C[C@@H]1C[C@H](C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)CC(=O)N1 ZINC000408203789 376419981 /nfs/dbraw/zinc/41/99/81/376419981.db2.gz SAILGXYWEYJNSC-NOOOWODRSA-N 0 0 331.438 -0.265 10 0 EBAERN CC(C)C[C@@H](CNS(=O)(=O)N1CCOCC1)N1CCOCC1 ZINC000408115575 376375227 /nfs/dbraw/zinc/37/52/27/376375227.db2.gz LGEDRHZRDXJKOI-AWEZNQCLSA-N 0 0 335.470 -0.100 10 0 EBAERN COCCN1CCN(S(=O)(=O)N2CCOC(C)(C)C2)C[C@H]1C ZINC000408124955 376377381 /nfs/dbraw/zinc/37/73/81/376377381.db2.gz XMIGYOPWZIFAHB-CYBMUJFWSA-N 0 0 335.470 -0.006 10 0 EBAERN C[C@H]1CCCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)[C@@H]1CO ZINC000408137549 376383305 /nfs/dbraw/zinc/38/33/05/376383305.db2.gz JOMBAWAZQGUSPI-GXFFZTMASA-N 0 0 346.387 -0.135 10 0 EBAERN Cc1ccc(N2CCCN(C(=O)[C@@H]3CC[C@H](C(N)=O)O3)CC2)nn1 ZINC000408147264 376383404 /nfs/dbraw/zinc/38/34/04/376383404.db2.gz BRLSRXYMZPTODS-OLZOCXBDSA-N 0 0 333.392 -0.143 10 0 EBAERN O=C(Cn1nc2ccccn2c1=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408152003 376386272 /nfs/dbraw/zinc/38/62/72/376386272.db2.gz ZFCCXXWRQBQUSO-MRXNPFEDSA-N 0 0 329.360 -0.375 10 0 EBAERN Cc1cc(CN2CCN(CC(=O)N3CCC[C@@H](C(N)=O)C3)CC2)no1 ZINC000072815512 376482533 /nfs/dbraw/zinc/48/25/33/376482533.db2.gz XFDGOSIBKHORNS-CQSZACIVSA-N 0 0 349.435 -0.175 10 0 EBAERN CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCCCc1ccccc1 ZINC000095921671 376479971 /nfs/dbraw/zinc/47/99/71/376479971.db2.gz VYMIFEDSFWSAON-WRQOLXDDSA-N 0 0 339.388 -0.421 10 0 EBAERN Cn1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cn1 ZINC000408242192 376436321 /nfs/dbraw/zinc/43/63/21/376436321.db2.gz RDNWEPJAHKZTDQ-WDEREUQCSA-N 0 0 336.439 -0.441 10 0 EBAERN CN1CCN(C(=O)CCS(C)(=O)=O)C[C@@]12CCNC(=O)CC2 ZINC000091663385 376445765 /nfs/dbraw/zinc/44/57/65/376445765.db2.gz QDHUKEKWZOTIOK-CQSZACIVSA-N 0 0 331.438 -0.766 10 0 EBAERN C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C)C[C@@H](C)O1 ZINC000408262953 376510241 /nfs/dbraw/zinc/51/02/41/376510241.db2.gz ACLMPASFUHTFDX-GHMZBOCLSA-N 0 0 328.456 -0.293 10 0 EBAERN Cc1c(C(=O)N2CCCNC(=O)[C@H]2C)cccc1S(N)(=O)=O ZINC000408292596 376563762 /nfs/dbraw/zinc/56/37/62/376563762.db2.gz DHXWDGLVODXZQW-SNVBAGLBSA-N 0 0 325.390 -0.007 10 0 EBAERN CCCNC(=O)CN(C)C(=O)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000105889432 376568317 /nfs/dbraw/zinc/56/83/17/376568317.db2.gz GYDMRDDZXPSINW-CQSZACIVSA-N 0 0 337.424 -0.432 10 0 EBAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000408366440 376718229 /nfs/dbraw/zinc/71/82/29/376718229.db2.gz OBOHLBHHEWQNEY-GMTAPVOTSA-N 0 0 333.410 -0.762 10 0 EBAERN CC(=O)N[C@@H]1CCCN(C(=O)CN2CC[S@](=O)CC[C@@H]2C)C1 ZINC000408392897 376722893 /nfs/dbraw/zinc/72/28/93/376722893.db2.gz IJWVNGPSSBVCNA-QEXXDVAHSA-N 0 0 329.466 -0.044 10 0 EBAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(C)(C)S(C)(=O)=O)C1 ZINC000408402643 376724187 /nfs/dbraw/zinc/72/41/87/376724187.db2.gz PDUACPFGAKWCDZ-SNVBAGLBSA-N 0 0 340.467 -0.262 10 0 EBAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC000408404417 376726579 /nfs/dbraw/zinc/72/65/79/376726579.db2.gz YYACOUPTVOYFKJ-QWRGUYRKSA-N 0 0 332.426 -0.542 10 0 EBAERN C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000408415788 376728248 /nfs/dbraw/zinc/72/82/48/376728248.db2.gz PSNRCIVMEPKWNB-MRVPVSSYSA-N 0 0 339.377 -0.239 10 0 EBAERN COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1cnn2c1CCCC2 ZINC000408356746 376715781 /nfs/dbraw/zinc/71/57/81/376715781.db2.gz RXWMPGOTRIWRIW-LBPRGKRZSA-N 0 0 341.389 -0.368 10 0 EBAERN CC(=O)NC1CN(C(=O)NC2CCN(CC(=O)N(C)C)CC2)C1 ZINC000408259708 376802273 /nfs/dbraw/zinc/80/22/73/376802273.db2.gz PKLCWCADJUSWGJ-UHFFFAOYSA-N 0 0 325.413 -0.931 10 0 EBAERN COC1CCN(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)CC1 ZINC000408283385 376827871 /nfs/dbraw/zinc/82/78/71/376827871.db2.gz JPUXIMNGVJRXAK-LLVKDONJSA-N 0 0 334.442 -0.278 10 0 EBAERN CNC(=O)c1cc(S(=O)(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)cn1C ZINC000408286364 376831957 /nfs/dbraw/zinc/83/19/57/376831957.db2.gz LZHRWZGOYOIXIL-STQMWFEESA-N 0 0 342.421 -0.912 10 0 EBAERN CNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)cc1 ZINC000408295039 376838373 /nfs/dbraw/zinc/83/83/73/376838373.db2.gz QYXJZAINLOOFFC-ZIAGYGMSSA-N 0 0 339.417 -0.250 10 0 EBAERN CN(C)C(=O)N1CCN(C(=O)[C@H]2CC[C@H](C(N)=O)O2)C(C)(C)C1 ZINC000408323531 376857404 /nfs/dbraw/zinc/85/74/04/376857404.db2.gz ZHSGRXYIBLBLSW-GHMZBOCLSA-N 0 0 326.397 -0.376 10 0 EBAERN O=C(NC[C@H](O)CN1CCOCC1)c1cccc(-n2cccn2)n1 ZINC000128096372 376870019 /nfs/dbraw/zinc/87/00/19/376870019.db2.gz HOAUAVGDYHNKNA-ZDUSSCGKSA-N 0 0 331.376 -0.310 10 0 EBAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CCO[C@@H](CO)C1 ZINC000408363369 376872515 /nfs/dbraw/zinc/87/25/15/376872515.db2.gz WKDANRATACTDHG-ZIAGYGMSSA-N 0 0 334.438 -0.200 10 0 EBAERN CCS(=O)(=O)NCCS(=O)(=O)N1CC[S@](=O)CC[C@H]1C ZINC000408390496 376883845 /nfs/dbraw/zinc/88/38/45/376883845.db2.gz WEFBMYPWBLAPQD-MLCYQJTMSA-N 0 0 346.496 -0.902 10 0 EBAERN O=C(Nc1cccc(C(=O)N2CCOCC2)c1)N1C[C@@H](O)[C@H](O)C1 ZINC000408395862 376886321 /nfs/dbraw/zinc/88/63/21/376886321.db2.gz NVHBMWLFTHZFBR-ZIAGYGMSSA-N 0 0 335.360 -0.272 10 0 EBAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](C)N2CCOCC2)C1 ZINC000408399880 376888201 /nfs/dbraw/zinc/88/82/01/376888201.db2.gz MASWRSDSOFAISQ-CHWSQXEVSA-N 0 0 333.454 -0.364 10 0 EBAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC000408440827 376916090 /nfs/dbraw/zinc/91/60/90/376916090.db2.gz AUVMGJAJWQPGQO-YNEHKIRRSA-N 0 0 347.437 -0.838 10 0 EBAERN CC(=O)NC1CN(C(=O)NC2CCN(S(=O)(=O)C(C)C)CC2)C1 ZINC000408446049 376923612 /nfs/dbraw/zinc/92/36/12/376923612.db2.gz GEINKVQVHBHJML-UHFFFAOYSA-N 0 0 346.453 -0.281 10 0 EBAERN Cc1nc([C@@H]2CN(S(=O)(=O)[C@H](C)C(=O)N(C)C)CCO2)no1 ZINC000408448927 376925122 /nfs/dbraw/zinc/92/51/22/376925122.db2.gz CFWCEUBHBLDTHF-SCZZXKLOSA-N 0 0 332.382 -0.442 10 0 EBAERN CNS(=O)(=O)N1CCN(C(=O)c2cc(C)nc(OC)c2)CC1 ZINC000408465000 376938597 /nfs/dbraw/zinc/93/85/97/376938597.db2.gz HKXVDNADMMWQJM-UHFFFAOYSA-N 0 0 328.394 -0.379 10 0 EBAERN Cc1cnn(CCNC(=O)CNS(=O)(=O)c2cn(C)cn2)c1 ZINC000151544579 377175331 /nfs/dbraw/zinc/17/53/31/377175331.db2.gz GGGBPOHITZDEOH-UHFFFAOYSA-N 0 0 326.382 -0.980 10 0 EBAERN CC(=O)N1CCC[C@@](O)(C(=O)N[C@H]2CCCN(c3cccnn3)C2)C1 ZINC000332771734 377316272 /nfs/dbraw/zinc/31/62/72/377316272.db2.gz LEMAAOPEYJHPSZ-YOEHRIQHSA-N 0 0 347.419 -0.065 10 0 EBAERN 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278219496 /nfs/dbraw/zinc/21/94/96/278219496.db2.gz WZFQZRLQMXZMJA-MQLXINIDSA-N 0 0 329.305 -0.045 10 0 EBAERN CC(=O)OC[C@H]1O[C@H]2O[C@H](C)O[C@H]2[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000077292357 278220232 /nfs/dbraw/zinc/22/02/32/278220232.db2.gz NBWFYJVPTWVPKZ-IZMFDJJNSA-N 0 0 332.305 -0.101 10 0 in-vitro EBAERN C[C@H](O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C[C@H]1C ZINC000248368718 278293574 /nfs/dbraw/zinc/29/35/74/278293574.db2.gz VMVYDMPNNCPQPS-AGIUHOORSA-N 0 0 335.408 -0.324 10 0 EBAERN Cn1cc(N2CCN(C(=O)N[C@@H]3CCc4ncnn4C3)CC2=O)cn1 ZINC000177536797 279340233 /nfs/dbraw/zinc/34/02/33/279340233.db2.gz CFUBTIKHSXPTEV-LLVKDONJSA-N 0 0 344.379 -0.615 10 0 EBAERN CC[C@@H](O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000178213185 280206217 /nfs/dbraw/zinc/20/62/17/280206217.db2.gz SLCFKSPKLQRFQY-GXTWGEPZSA-N 0 0 335.408 -0.322 10 0 EBAERN C[C@@H]1CN(S(=O)(=O)N2CCc3c(ncn(C)c3=O)C2)C[C@H](C)O1 ZINC000330118482 288234825 /nfs/dbraw/zinc/23/48/25/288234825.db2.gz 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EBAERN CCS(=O)(=O)N1CC(CNc2ncnc(-n3cccn3)c2N)C1 ZINC000302571617 155171792 /nfs/dbraw/zinc/17/17/92/155171792.db2.gz QQHLWIOSFPLAOJ-UHFFFAOYSA-N 0 0 337.409 -0.062 10 0 EBAERN CN1CCO[C@H]2CCN(C(=O)CCC(=O)N3CCOCC3)C[C@@H]21 ZINC000328905824 155193721 /nfs/dbraw/zinc/19/37/21/155193721.db2.gz KHAZJRYJAWFYQJ-KBPBESRZSA-N 0 0 325.409 -0.443 10 0 EBAERN CN1CCO[C@H]2CCN(C(=O)c3csc(S(N)(=O)=O)c3)C[C@H]21 ZINC000328905051 155194310 /nfs/dbraw/zinc/19/43/10/155194310.db2.gz JURSJEAHLKAXBW-MNOVXSKESA-N 0 0 345.446 -0.059 10 0 EBAERN C[C@@H]1CCN(S(=O)(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C1 ZINC000328990227 155201317 /nfs/dbraw/zinc/20/13/17/155201317.db2.gz SBYKVZDWJYJGPN-JTNHKYCSSA-N 0 0 341.437 -0.132 10 0 EBAERN Cn1nccc1C(=O)Nc1cnn(CC(=O)N2CCN(C)CC2)c1 ZINC000329081829 155204007 /nfs/dbraw/zinc/20/40/07/155204007.db2.gz DHDLGAYQEGQZPH-UHFFFAOYSA-N 0 0 331.380 -0.357 10 0 EBAERN O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000329176114 155211049 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ZINC000222724338 719408783 /nfs/dbraw/zinc/40/87/83/719408783.db2.gz NWSLKXHCQDAZHP-UHFFFAOYSA-N 0 0 348.407 -0.943 10 0 EBAERN O=C(C[C@H]1CC(=O)NC1=O)N1CCN(CCn2ccccc2=O)CC1 ZINC000935215414 719460677 /nfs/dbraw/zinc/46/06/77/719460677.db2.gz CZWSCNAXTHREEX-CYBMUJFWSA-N 0 0 346.387 -0.955 10 0 EBAERN C[C@@H](C(=O)NC1CCC(C(=O)NC(N)=O)CC1)N1CCOCC1 ZINC000408368157 295771905 /nfs/dbraw/zinc/77/19/05/295771905.db2.gz CVIDNVJLCZXWIQ-UNXYVOJBSA-N 0 0 326.397 -0.423 10 0 EBAERN CCN(C(=S)N[C@H]1C=CS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000039287160 213232772 /nfs/dbraw/zinc/23/27/72/213232772.db2.gz KTICUFHHUCCJGG-VHSXEESVSA-N 0 0 338.476 -0.319 10 0 EBAERN COC(=O)C[C@@H]1CCCCN1S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000038027075 291115441 /nfs/dbraw/zinc/11/54/41/291115441.db2.gz XFRZFOYWTCLMDZ-WDEREUQCSA-N 0 0 339.435 -0.079 10 0 EBAERN NC(=S)c1cccc(CS(=O)(=O)N2CCS(=O)(=O)CC2)c1 ZINC000038005339 213188420 /nfs/dbraw/zinc/18/84/20/213188420.db2.gz MKCZASGZHREJSE-UHFFFAOYSA-N 0 0 348.471 -0.119 10 0 EBAERN NC(=S)c1cccc(CS(=O)(=O)NCCS(N)(=O)=O)c1 ZINC000038005323 213188126 /nfs/dbraw/zinc/18/81/26/213188126.db2.gz UWQGPYDKMXRHFQ-UHFFFAOYSA-N 0 0 337.448 -0.971 10 0 EBAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(N)=O ZINC000408032626 291390203 /nfs/dbraw/zinc/39/02/03/291390203.db2.gz ZORAUMBKSFSPII-DBIOUOCHSA-N 0 0 334.394 -0.768 10 0 EBAERN O=C(N[C@@H]1COC[C@@H](O)[C@H]1O)c1ccc(CN2CCOCC2)cc1 ZINC000643585208 375913463 /nfs/dbraw/zinc/91/34/63/375913463.db2.gz SPYYPQLOWAFUSJ-OAGGEKHMSA-N 0 0 336.388 -0.631 10 0 EBAERN Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc12 ZINC000043505198 375917470 /nfs/dbraw/zinc/91/74/70/375917470.db2.gz YUDPTGPSBJVHCN-AFHWFKKNSA-N 0 0 338.312 -0.720 10 0 in-vitro EBAERN O=C(CN1CCOCC1)N1CCN(C(=O)NCC(F)(F)F)CC1 ZINC000407963926 376016848 /nfs/dbraw/zinc/01/68/48/376016848.db2.gz IXLZFKIPGVQYRJ-UHFFFAOYSA-N 0 0 338.330 -0.265 10 0 EBAERN OC[C@H]1O[C@H](Oc2c[nH]c3cc(Cl)ccc23)[C@H](O)[C@H](O)[C@H]1O ZINC000015206512 375987450 /nfs/dbraw/zinc/98/74/50/375987450.db2.gz OQWBAXBVBGNSPW-ITGHMWBKSA-N 0 0 329.736 0.000 10 0 EBAERN Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3CCNC(=O)C3)C2=O)n(C)n1 ZINC000407981783 376052808 /nfs/dbraw/zinc/05/28/08/376052808.db2.gz VOOZHDVFIPYYGF-NEPJUHHUSA-N 0 0 333.392 -0.134 10 0 EBAERN CN(SN(C)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000256019563 376214089 /nfs/dbraw/zinc/21/40/89/376214089.db2.gz XBGGCVMNUDWOTJ-UWVGGRQHSA-N 0 0 328.481 -0.213 10 0 EBAERN CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000408024055 376285527 /nfs/dbraw/zinc/28/55/27/376285527.db2.gz XNVNFPJMZQNNGA-XQQFMLRXSA-N 0 0 333.454 -0.076 10 0 EBAERN C[C@H]1OCCN(S(=O)(=O)c2ccc3c(c2)COC3)[C@@H]1C(N)=O ZINC000408029465 376288260 /nfs/dbraw/zinc/28/82/60/376288260.db2.gz CELFIFUSZDIVQN-RNCFNFMXSA-N 0 0 326.374 -0.020 10 0 EBAERN CN1CCN(C(=O)[C@H]2CCCN2C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000408031914 376290011 /nfs/dbraw/zinc/29/00/11/376290011.db2.gz QHSAGCRFJTUUHE-HZPDHXFCSA-N 0 0 349.479 -0.859 10 0 EBAERN CCCS(=O)(=O)NC1CCN(C(=O)[C@H]2COCCN2C)CC1 ZINC000408033540 376290045 /nfs/dbraw/zinc/29/00/45/376290045.db2.gz NIKOPMASFOPIFH-CYBMUJFWSA-N 0 0 333.454 -0.363 10 0 EBAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000408045788 376295655 /nfs/dbraw/zinc/29/56/55/376295655.db2.gz ILPJLKMDZAXTIJ-MRXNPFEDSA-N 0 0 333.392 -0.501 10 0 EBAERN C[C@H]1OCCN(CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)[C@@H]1C(N)=O ZINC000408046352 376296217 /nfs/dbraw/zinc/29/62/17/376296217.db2.gz KUSOFEZKADBRTP-SFTQSGBHSA-N 0 0 340.424 -0.035 10 0 EBAERN C[C@H](C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1)S(C)(=O)=O ZINC000408050432 376298003 /nfs/dbraw/zinc/29/80/03/376298003.db2.gz CYKINHNFWRXVFJ-MXWKQRLJSA-N 0 0 336.385 -0.783 10 0 EBAERN CN1CCO[C@@H](C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)C1 ZINC000408052084 376298017 /nfs/dbraw/zinc/29/80/17/376298017.db2.gz KLEZBDWWOHEOKZ-FRRDWIJNSA-N 0 0 329.372 -0.885 10 0 EBAERN CN1C(=O)N[C@@H]2CN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC[C@@H]21 ZINC000408053331 376299027 /nfs/dbraw/zinc/29/90/27/376299027.db2.gz UAUZVJIPXCXRIK-OUAUKWLOSA-N 0 0 346.453 -0.425 10 0 EBAERN CC(=O)N1CC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)C1 ZINC000408055321 376299403 /nfs/dbraw/zinc/29/94/03/376299403.db2.gz TUBNXWGRFYKHSF-XQQFMLRXSA-N 0 0 331.438 -0.169 10 0 EBAERN CC(=O)N1CCC[C@](O)(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)C1 ZINC000408053744 376299421 /nfs/dbraw/zinc/29/94/21/376299421.db2.gz PIQISABIDJMXSE-YSVLISHTSA-N 0 0 339.436 -0.461 10 0 EBAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCC(N3CCCC3=O)CC2)C1 ZINC000408078724 376302425 /nfs/dbraw/zinc/30/24/25/376302425.db2.gz DKWJMWDFENHKCZ-CYBMUJFWSA-N 0 0 336.436 -0.203 10 0 EBAERN CC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC000408101293 376366830 /nfs/dbraw/zinc/36/68/30/376366830.db2.gz KFCMNGFLRBGBNL-AVGNSLFASA-N 0 0 326.397 -0.458 10 0 EBAERN CCN1CCOC[C@@H]1C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000408103579 376369957 /nfs/dbraw/zinc/36/99/57/376369957.db2.gz MXSGLWXNNOGQSW-QWHCGFSZSA-N 0 0 333.454 -0.364 10 0 EBAERN C[C@H]1CCCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)[C@H]1CO ZINC000408137547 376383274 /nfs/dbraw/zinc/38/32/74/376383274.db2.gz JOMBAWAZQGUSPI-GWCFXTLKSA-N 0 0 346.387 -0.135 10 0 EBAERN CC[C@@H](O)CN1CCN(S(=O)(=O)N2CCOC(C)(C)C2)CC1 ZINC000408153800 376387294 /nfs/dbraw/zinc/38/72/94/376387294.db2.gz FWCUXUULDATATN-CYBMUJFWSA-N 0 0 335.470 -0.270 10 0 EBAERN CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N[C@@H](C)C2)CC1 ZINC000408159617 376391950 /nfs/dbraw/zinc/39/19/50/376391950.db2.gz GKNLAIQDGAMCPO-RYUDHWBXSA-N 0 0 338.408 -0.904 10 0 EBAERN CN(C)S(=O)(=O)CC(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000408185898 376510449 /nfs/dbraw/zinc/51/04/49/376510449.db2.gz NRTKJONJDWWQLK-ZDUSSCGKSA-N 0 0 330.410 -0.615 10 0 EBAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CN(C)S(C)(=O)=O)CC2 ZINC000150713077 376513107 /nfs/dbraw/zinc/51/31/07/376513107.db2.gz CEYFVOCNRSWSDJ-JTQLQIEISA-N 0 0 329.426 -0.276 10 0 EBAERN C[C@@H]1[C@H](C)S(=O)(=O)CCN1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000408194082 376522042 /nfs/dbraw/zinc/52/20/42/376522042.db2.gz VHZXOZQPTZGOPQ-GRYCIOLGSA-N 0 0 331.438 -0.782 10 0 EBAERN C[C@H]1C[C@H](O)CN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000385178068 376485286 /nfs/dbraw/zinc/48/52/86/376485286.db2.gz XFDDKYANXUFAFR-QWRGUYRKSA-N 0 0 343.405 -0.369 10 0 EBAERN CO[C@H]1C[C@H](C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)N(C(C)=O)C1 ZINC000408273796 376534661 /nfs/dbraw/zinc/53/46/61/376534661.db2.gz SSOXXYYCRAPOMU-PAPYEOQZSA-N 0 0 327.425 -0.464 10 0 EBAERN Cn1c(=O)ccn(CC(=O)N2CCO[C@@H](c3nccs3)C2)c1=O ZINC000110882422 376623995 /nfs/dbraw/zinc/62/39/95/376623995.db2.gz LEKAYMYJRXLSMJ-SNVBAGLBSA-N 0 0 336.373 -0.396 10 0 EBAERN CCn1nc(C)c(S(=O)(=O)N2CC(N3CCNC3=O)C2)c1C ZINC000288847724 376656454 /nfs/dbraw/zinc/65/64/54/376656454.db2.gz DSRICSLZXPISDP-UHFFFAOYSA-N 0 0 327.410 -0.082 10 0 EBAERN Cn1cc(Br)cc(NC(=O)N2C[C@@H](O)[C@H](O)C2)c1=O ZINC000408393192 376723855 /nfs/dbraw/zinc/72/38/55/376723855.db2.gz FDHABBPFKDVHEB-RKDXNWHRSA-N 0 0 332.154 -0.283 10 0 EBAERN C[C@H]1[C@H](C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1(F)F ZINC000408232401 376723989 /nfs/dbraw/zinc/72/39/89/376723989.db2.gz SYVRFXJGDAQYMQ-WCQYABFASA-N 0 0 331.363 -0.109 10 0 EBAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408241831 376765922 /nfs/dbraw/zinc/76/59/22/376765922.db2.gz MTFAWVBPQJFNAO-RWMBFGLXSA-N 0 0 331.438 -0.026 10 0 EBAERN CC(=O)N1CC[C@H](C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)C1 ZINC000408249186 376783815 /nfs/dbraw/zinc/78/38/15/376783815.db2.gz QJIFRSZGKWJOQM-AGIUHOORSA-N 0 0 331.438 -0.311 10 0 EBAERN CNC(=O)N[C@@H]1CCN([C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000408257119 376798419 /nfs/dbraw/zinc/79/84/19/376798419.db2.gz OGTJWDQKKLGUCO-UTUOFQBUSA-N 0 0 346.453 -0.976 10 0 EBAERN C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C)C[C@H](C)O1 ZINC000408262955 376804515 /nfs/dbraw/zinc/80/45/15/376804515.db2.gz ACLMPASFUHTFDX-QWRGUYRKSA-N 0 0 328.456 -0.293 10 0 EBAERN CCN(CC)S(=O)(=O)CCNS(=O)(=O)N1CCC[C@@H]1C ZINC000408289355 376833874 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O=C(NCCCc1ccccc1)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000178973568 154122329 /nfs/dbraw/zinc/12/23/29/154122329.db2.gz UHGULCMCFKNNPO-MRXNPFEDSA-N 0 0 330.432 -0.149 10 0 EBAERN CN1Cc2ccc(NC(=O)C(=O)NC[C@H]3CN4CCN3CC4)cc2C1 ZINC000178958273 154122552 /nfs/dbraw/zinc/12/25/52/154122552.db2.gz GGUBRCCUTSOVTG-INIZCTEOSA-N 0 0 343.431 -0.314 10 0 EBAERN CCS(=O)(=O)NCC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000179252548 154123038 /nfs/dbraw/zinc/12/30/38/154123038.db2.gz GZJZLTLRTYZHHI-SNVBAGLBSA-N 0 0 329.426 -0.228 10 0 EBAERN CN1CCc2ccc(NC(=O)C(=O)NC[C@H]3CN4CCN3CC4)cc21 ZINC000180744589 154127880 /nfs/dbraw/zinc/12/78/80/154127880.db2.gz AYLHSZOKJBVSEJ-HNNXBMFYSA-N 0 0 343.431 -0.267 10 0 EBAERN COCCN1C[C@@H](C(=O)N2CCNC[C@@H]2c2cnn(C)c2)CC1=O ZINC000181365622 154128907 /nfs/dbraw/zinc/12/89/07/154128907.db2.gz UBYKTGZOPNWKAY-GXTWGEPZSA-N 0 0 335.408 -0.612 10 0 EBAERN CC(C)CS(=O)(=O)CC(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181413774 154129066 /nfs/dbraw/zinc/12/90/66/154129066.db2.gz 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154152625 /nfs/dbraw/zinc/15/26/25/154152625.db2.gz UKHRIUNIZJESFE-UHFFFAOYSA-N 0 0 346.391 -0.116 10 0 EBAERN O=C(CN1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1)N1CCCCCC1 ZINC000194861755 154162701 /nfs/dbraw/zinc/16/27/01/154162701.db2.gz FUCQJUNTPISXAX-AWEZNQCLSA-N 0 0 336.436 -0.331 10 0 EBAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000247248996 154186614 /nfs/dbraw/zinc/18/66/14/154186614.db2.gz TVUOGWKSRNITPX-ZIAGYGMSSA-N 0 0 335.408 -0.692 10 0 EBAERN CC[C@H]1CN(CC(=O)NCC(=O)N2CCCC2)CC[N@@H+]1C[C@H](C)O ZINC000252321480 154194220 /nfs/dbraw/zinc/19/42/20/154194220.db2.gz APHQQZXEHDJMTM-GJZGRUSLSA-N 0 0 340.468 -0.498 10 0 EBAERN COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@H]3COCCN3)C2=O)c1 ZINC000262635028 154240594 /nfs/dbraw/zinc/24/05/94/154240594.db2.gz MODDSSFGDDUFIT-LSDHHAIUSA-N 0 0 349.387 -0.086 10 0 EBAERN CO[C@H]1C[C@H](C(=O)N2CCN(c3cccnn3)CC2)N(C(C)=O)C1 ZINC000277606260 154722122 /nfs/dbraw/zinc/72/21/22/154722122.db2.gz ACWSGGBDYRXCPS-UONOGXRCSA-N 0 0 333.392 -0.239 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000407970134 157700785 /nfs/dbraw/zinc/70/07/85/157700785.db2.gz KGXLBRJCTPDUNO-NEPJUHHUSA-N 0 0 331.438 -0.120 10 0 EBAERN CC[C@@H](NC(=O)N1CCC[C@H]1C(=O)NC)C(=O)N1CCOCC1 ZINC000407991718 157701429 /nfs/dbraw/zinc/70/14/29/157701429.db2.gz WZZYIRXLFAMTDJ-NEPJUHHUSA-N 0 0 326.397 -0.456 10 0 EBAERN CCC(=O)N[C@H]1CCCN(C(=O)C2CCN(S(N)(=O)=O)CC2)C1 ZINC000408020467 157704080 /nfs/dbraw/zinc/70/40/80/157704080.db2.gz KYKZHJMOOBSRPP-LBPRGKRZSA-N 0 0 346.453 -0.581 10 0 EBAERN CN1C[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1=O ZINC000408151664 157713194 /nfs/dbraw/zinc/71/31/94/157713194.db2.gz ROOYWEQQXVGEFE-MXWKQRLJSA-N 0 0 332.426 -0.623 10 0 EBAERN CCO[C@@H]1C[C@](O)(CNC(=O)N2CCS(=O)(=O)CC2)C1(C)C ZINC000408397957 157724800 /nfs/dbraw/zinc/72/48/00/157724800.db2.gz ZVNLNHIKVJDTDI-RISCZKNCSA-N 0 0 334.438 -0.008 10 0 EBAERN CNS(=O)(=O)NC1CCN(C(=O)N[C@@H](C)[C@H]2CCCO2)CC1 ZINC000408408034 157725262 /nfs/dbraw/zinc/72/52/62/157725262.db2.gz NKAAXIPWLAGPKR-CMPLNLGQSA-N 0 0 334.442 -0.218 10 0 EBAERN COCCN1CCCN(C(=O)[C@@]2(O)CCCN(C(C)=O)C2)CC1=O ZINC000408056988 292527309 /nfs/dbraw/zinc/52/73/09/292527309.db2.gz OGVHXNXVLYQIHF-MRXNPFEDSA-N 0 0 341.408 -0.933 10 0 EBAERN Nc1nc(Br)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC000014860786 419076627 /nfs/dbraw/zinc/07/66/27/419076627.db2.gz UYDKYWTWCPKLJR-KVQBGUIXSA-N 0 0 330.142 -0.188 10 0 EBAERN CO[C@@H](C)CS(=O)(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000408031970 419137565 /nfs/dbraw/zinc/13/75/65/419137565.db2.gz QYDRBIXJDHCRDT-JSGCOSHPSA-N 0 0 334.438 -0.200 10 0 EBAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407955063 419126374 /nfs/dbraw/zinc/12/63/74/419126374.db2.gz HAPVMOWLFXTWOQ-NEPJUHHUSA-N 0 0 330.406 -0.036 10 0 EBAERN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NC(=O)CN1CCCCC1=O ZINC000408241392 419244243 /nfs/dbraw/zinc/24/42/43/419244243.db2.gz JEPLPQBHKKJXAO-RYUDHWBXSA-N 0 0 331.438 -0.025 10 0 EBAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCC1(C(N)=O)CCOCC1 ZINC000408234544 419244249 /nfs/dbraw/zinc/24/42/49/419244249.db2.gz DKLYWICOPHACPT-MNOVXSKESA-N 0 0 335.426 -0.788 10 0 EBAERN C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3ncc[nH]3)CC2)[C@@H](C)CO1 ZINC000408234845 419244766 /nfs/dbraw/zinc/24/47/66/419244766.db2.gz HYXVRXOSMZIQKJ-QWHCGFSZSA-N 0 0 343.453 -0.119 10 0 EBAERN COC(=O)C1CCN(S(=O)(=O)N2C[C@H](OC)C[C@H]2CO)CC1 ZINC000319280117 419202093 /nfs/dbraw/zinc/20/20/93/419202093.db2.gz GXHVILGFRRYCTJ-NWDGAFQWSA-N 0 0 336.410 -0.802 10 0 EBAERN NC(=O)[C@@H]1CN(C(=O)[C@@H]2CSCN2C(=O)C2CCC2)CCO1 ZINC000408098907 419206266 /nfs/dbraw/zinc/20/62/66/419206266.db2.gz TYGZYQDCICKJRG-QWRGUYRKSA-N 0 0 327.406 -0.599 10 0 EBAERN C[C@@H]1CN(C)CCN1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000408114927 419211375 /nfs/dbraw/zinc/21/13/75/419211375.db2.gz ZYOKANMYFYJGCD-SNVBAGLBSA-N 0 0 331.376 -0.592 10 0 EBAERN C[C@@H]1C[C@H](C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)CC(=O)N1 ZINC000408207162 419240910 /nfs/dbraw/zinc/24/09/10/419240910.db2.gz VPKZOTBZUKZFRW-WOPDTQHZSA-N 0 0 331.438 -0.169 10 0 EBAERN C[C@@H](C(=O)N(C)C)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000069250845 420934175 /nfs/dbraw/zinc/93/41/75/420934175.db2.gz QIOYURJOLDMYBT-KBPBESRZSA-N 0 0 326.441 -0.672 10 0 EBAERN CC(C)Oc1ccc(NC(=O)N2CC[C@]3(C2)NC(=O)N(C)C3=O)nn1 ZINC000375485821 421221570 /nfs/dbraw/zinc/22/15/70/421221570.db2.gz LGMZKCKXOVLYMU-OAHLLOKOSA-N 0 0 348.363 0.422 10 0 EBAERN Cc1cc(=O)oc2cc(O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)ccc12 ZINC000065747719 262531395 /nfs/dbraw/zinc/53/13/95/262531395.db2.gz YUDPTGPSBJVHCN-DGVSKKNDSA-N 0 0 338.312 -0.720 10 0 in-vitro EBAERN O=C(c1ccc2[nH]cnc2c1)N1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000195092858 264602031 /nfs/dbraw/zinc/60/20/31/264602031.db2.gz ADIQFDDLZFVCPX-GFCCVEGCSA-N 0 0 341.371 -0.017 10 0 EBAERN CS(=O)(=O)N[C@H]1CCCC[C@H]1NS(=O)(=O)N1CCOCC1 ZINC000408242496 264690084 /nfs/dbraw/zinc/69/00/84/264690084.db2.gz VEXHJUHSRSKGJG-WDEREUQCSA-N 0 0 341.455 -0.987 10 0 EBAERN COC(=O)c1cc(S(=O)(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)cn1C ZINC000471900734 265488625 /nfs/dbraw/zinc/48/86/25/265488625.db2.gz QWJFMLGTYOENTO-STQMWFEESA-N 0 0 343.405 -0.485 10 0 EBAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000348788501 278072837 /nfs/dbraw/zinc/07/28/37/278072837.db2.gz UYZFRKBQRBPSAI-JKJDWNRSSA-N 0 0 340.420 -0.253 10 0 EBAERN CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)[O-] ZINC000004899851 278140422 /nfs/dbraw/zinc/14/04/22/278140422.db2.gz WOKFGDGIDNUZHQ-KKZNHRDASA-N 0 0 331.369 -0.859 10 0 EBAERN CC(=O)OC[C@H]1O[C@@H](O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000015206168 278219874 /nfs/dbraw/zinc/21/98/74/278219874.db2.gz IEOLRPPTIGNUNP-XGFWRYKXSA-N 0 0 348.304 -0.938 10 0 EBAERN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005833806 278219942 /nfs/dbraw/zinc/21/99/42/278219942.db2.gz SHBHJRVMGYVXKK-XHJNMGKDSA-N 0 0 348.304 -0.938 10 0 EBAERN CC(=O)OC[C@H]1O[C@H]2OC(C)=N[C@@H]2[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000100394961 278220201 /nfs/dbraw/zinc/22/02/01/278220201.db2.gz WZFQZRLQMXZMJA-XGFWRYKXSA-N 0 0 329.305 -0.045 10 0 EBAERN CC(=O)OC[C@H]1O[C@H]2O[C@@H](C)O[C@H]2[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000077292359 278220219 /nfs/dbraw/zinc/22/02/19/278220219.db2.gz NBWFYJVPTWVPKZ-ZSOGLFGHSA-N 0 0 332.305 -0.101 10 0 in-vitro EBAERN C[C@@H](CN1CCOCC1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000180477648 278263796 /nfs/dbraw/zinc/26/37/96/278263796.db2.gz HKJVQOUPOXARAA-AWEZNQCLSA-N 0 0 331.424 -0.033 10 0 EBAERN C[C@H](O)CN1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C[C@H]1C ZINC000408109920 278290426 /nfs/dbraw/zinc/29/04/26/278290426.db2.gz IOMVCIJHVGLXHN-OLZOCXBDSA-N 0 0 347.481 -0.429 10 0 EBAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](C)N2CCN(C)CC2)C1 ZINC000372767008 279623138 /nfs/dbraw/zinc/62/31/38/279623138.db2.gz GXLSLIQOMMROBB-KGLIPLIRSA-N 0 0 346.497 -0.449 10 0 EBAERN Cc1c(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)nnn1-c1ccn(C)n1 ZINC000329181107 280210398 /nfs/dbraw/zinc/21/03/98/280210398.db2.gz OCFFOBOVFVXYFW-CHWSQXEVSA-N 0 0 345.407 -0.146 10 0 EBAERN C[C@@H]1COC[C@H](C)N1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000076362265 288377936 /nfs/dbraw/zinc/37/79/36/288377936.db2.gz RDDDXFVMEGPFQL-AOOOYVTPSA-N 0 0 332.360 -0.118 10 0 EBAERN C[C@H](O)CN1CCN(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)C[C@@H]1C ZINC000408434758 290115633 /nfs/dbraw/zinc/11/56/33/290115633.db2.gz RXNOVGNTIINZSH-CRWXNKLISA-N 0 0 335.470 -0.273 10 0 EBAERN CO[C@@]1(C(=O)N2CCC[C@](O)(C(=O)N3CCCC3)C2)CCOC1 ZINC000329083957 294111009 /nfs/dbraw/zinc/11/10/09/294111009.db2.gz SSMFXZLXMKYGCV-CVEARBPZSA-N 0 0 326.393 -0.232 10 0 EBAERN CO[C@H]1C[C@H](C(=O)N2CCO[C@]3(CCOC3)C2)N(S(C)(=O)=O)C1 ZINC000329908959 294644181 /nfs/dbraw/zinc/64/41/81/294644181.db2.gz UQRSFJSOOJPENU-OUCADQQQSA-N 0 0 348.421 -0.947 10 0 EBAERN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000332881812 300380286 /nfs/dbraw/zinc/38/02/86/300380286.db2.gz DBECKTUPZFYZIT-IGQOVBAYSA-N 0 0 345.465 -0.076 10 0 EBAERN Cc1c([C@@H]2[C@H](C(=O)N(C)[C@@H]3COC[C@H]3O)CC(=O)N2C)cnn1C ZINC000329359097 300999636 /nfs/dbraw/zinc/99/96/36/300999636.db2.gz GIBKMRJWUXUZRR-OPQSFPLASA-N 0 0 336.392 -0.534 10 0 EBAERN NC(=O)[C@@]1(O)CCCN(C(=O)[C@H]2COCCN2CC(F)(F)F)C1 ZINC000367007777 303321828 /nfs/dbraw/zinc/32/18/28/303321828.db2.gz CPDVRJWSGLEQPH-BXKDBHETSA-N 0 0 339.314 -0.912 10 0 EBAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000408150674 517687594 /nfs/dbraw/zinc/68/75/94/517687594.db2.gz NETGEJJNRSWPGB-NEPJUHHUSA-N 0 0 347.437 -0.189 10 0 EBAERN Cc1cc(C)n(Cc2ccc(C(=O)N(CC(N)=O)CC(N)=O)cc2)n1 ZINC000103944843 524539125 /nfs/dbraw/zinc/53/91/25/524539125.db2.gz XVCDIIQHFITXCF-UHFFFAOYSA-N 0 0 343.387 -0.039 10 0 EBAERN C[C@@H]1CN(CCCN2CCS(=O)(=O)[C@@H](C)C2)CCS1(=O)=O ZINC000119024298 524944076 /nfs/dbraw/zinc/94/40/76/524944076.db2.gz VUZKMVUYQAJPAN-BETUJISGSA-N 0 0 338.495 -0.386 10 0 EBAERN Cn1ccnc(N2CCC[C@H](NC(=O)C3=NN(C)C(=O)CC3)C2)c1=O ZINC000275652623 527413555 /nfs/dbraw/zinc/41/35/55/527413555.db2.gz KSSWASKBIKPEDT-NSHDSACASA-N 0 0 346.391 -0.527 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000329978828 545763684 /nfs/dbraw/zinc/76/36/84/545763684.db2.gz IHNZLNXLLUAEIZ-MCIONIFRSA-N 0 0 345.465 -0.268 10 0 EBAERN Cn1cc(N2CCC[C@@H](NC(=O)N[C@H]3CCCNC3=O)C2=O)cn1 ZINC000332931422 545849701 /nfs/dbraw/zinc/84/97/01/545849701.db2.gz RQMQVRBAGZIRCW-NWDGAFQWSA-N 0 0 334.380 -0.507 10 0 EBAERN Cc1c([C@@H]2[C@@H](C(=O)N[C@H]3CCCN(C)C3=O)CC(=O)N2C)cnn1C ZINC000332998990 545854702 /nfs/dbraw/zinc/85/47/02/545854702.db2.gz QTKRQNJNKOMIHM-WHOFXGATSA-N 0 0 347.419 -0.015 10 0 EBAERN CN(C[C@@H]1CN(C)CCO1)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000074774768 546057352 /nfs/dbraw/zinc/05/73/52/546057352.db2.gz NHPUCLQTRPFQHE-ZDUSSCGKSA-N 0 0 333.454 -0.553 10 0 EBAERN CNC(=O)[C@H]([NH2+]CC(=O)N[C@H](C(=O)NC)c1ccccc1)C(C)C ZINC000183680476 546413206 /nfs/dbraw/zinc/41/32/06/546413206.db2.gz IEIBVQBGVVJBRK-CABCVRRESA-N 0 0 334.420 -0.050 10 0 EBAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(-c2nc[nH]n2)cc1 ZINC000184350690 546413674 /nfs/dbraw/zinc/41/36/74/546413674.db2.gz GBVUSVZVFSTRII-CQSZACIVSA-N 0 0 331.376 -0.105 10 0 EBAERN CO[C@H]1CCCCN(CC(=O)NCC2(CO)CCOCC2)C1=O ZINC000888076594 582574276 /nfs/dbraw/zinc/57/42/76/582574276.db2.gz XTNNVXHNBLWCOY-ZDUSSCGKSA-N 0 0 328.409 -0.081 10 0 EBAERN CNC(=O)[C@H]1CC(=O)N(C2CN(S(=O)(=O)c3cccnc3)C2)C1 ZINC000888097988 582605340 /nfs/dbraw/zinc/60/53/40/582605340.db2.gz WSTRWDXXAGORRU-JTQLQIEISA-N 0 0 338.389 -0.951 10 0 EBAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3c[nH]nc3C3CC3)C2)C1 ZINC000888098387 582605657 /nfs/dbraw/zinc/60/56/57/582605657.db2.gz JXKQLZHSPORHGN-SNVBAGLBSA-N 0 0 331.376 -0.294 10 0 EBAERN Cn1nccc1[C@H]1[C@H](CNS(=O)(=O)C2COC2)OCCN1C ZINC000886093376 584655683 /nfs/dbraw/zinc/65/56/83/584655683.db2.gz GCDHCXLRBZRBLG-STQMWFEESA-N 0 0 330.410 -0.890 10 0 EBAERN Cc1nn(C)c(C)c1CC(=O)N1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886077516 584655769 /nfs/dbraw/zinc/65/57/69/584655769.db2.gz CLYJUZSNRAQKEV-KRWDZBQOSA-N 0 0 349.435 -0.632 10 0 EBAERN NC(=O)[C@@]1(N2CCN(C(=O)Cc3ncccc3F)CC2)CCOC1 ZINC000886093773 584656217 /nfs/dbraw/zinc/65/62/17/584656217.db2.gz HFCTZBNAZGCZQQ-MRXNPFEDSA-N 0 0 336.367 -0.448 10 0 EBAERN O=C(NC[C@H](O)CN1CCOCC1)c1cnn(-c2ccccc2)n1 ZINC000129059208 649974783 /nfs/dbraw/zinc/97/47/83/649974783.db2.gz ZNBUGROPZITJGW-AWEZNQCLSA-N 0 0 331.376 -0.310 10 0 EBAERN CC(=O)N[C@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccc(C)c(C)c1 ZINC000247920466 649983971 /nfs/dbraw/zinc/98/39/71/649983971.db2.gz GYWQOXBLTPBTIU-LYYZXLFJSA-N 0 0 325.361 -0.374 10 0 EBAERN C[C@H](C(N)=O)N(C)C(=O)c1cnn(C)c1I ZINC000711128871 650036292 /nfs/dbraw/zinc/03/62/92/650036292.db2.gz GKRMXESSBHYLRW-RXMQYKEDSA-N 0 0 336.133 -0.030 10 0 EBAERN Cc1nc(S(=O)(=O)N[C@@H]2CCNC2=O)c(Br)n1C ZINC000710355020 650036415 /nfs/dbraw/zinc/03/64/15/650036415.db2.gz BUXKYKUFKPQNAL-ZCFIWIBFSA-N 0 0 337.199 -0.342 10 0 EBAERN CCN1CCN(C(=O)[C@@H]2OCCN(C)C2=O)C[C@@H]1c1nccn1C ZINC000907567574 650086085 /nfs/dbraw/zinc/08/60/85/650086085.db2.gz OTNLJWIIGGJFGJ-CHWSQXEVSA-N 0 0 335.408 -0.518 10 0 EBAERN CN(C)c1ccc([C@H]2CCCN2C(=O)CN2CCNC(=O)C2)nn1 ZINC000911322458 650171324 /nfs/dbraw/zinc/17/13/24/650171324.db2.gz LCTLQQUONYWABJ-CYBMUJFWSA-N 0 0 332.408 -0.362 10 0 EBAERN Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NC(=O)Cn1nc(C)n(C)c1=O ZINC000913084854 650218928 /nfs/dbraw/zinc/21/89/28/650218928.db2.gz IDXZHUGFIOEKBY-IUODEOHRSA-N 0 0 348.407 -0.113 10 0 EBAERN NS(=O)(=O)c1cnccc1Sc1ccncc1S(N)(=O)=O ZINC000049803729 214033338 /nfs/dbraw/zinc/03/33/38/214033338.db2.gz JYMNSJBFCKCLMB-UHFFFAOYSA-N 0 0 346.415 -0.077 10 0 in-vivo EBAERN CCc1nnc(N2C(=O)C[C@H](SC[C@@H]([NH3+])C(=O)[O-])C2=O)s1 ZINC000100856550 219109580 /nfs/dbraw/zinc/10/95/80/219109580.db2.gz QVZVVHGUXPRWDN-RITPCOANSA-N 0 0 330.391 -0.123 10 0 EBAERN C[C@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)CCN1S(C)(=O)=O ZINC000329446475 290745026 /nfs/dbraw/zinc/74/50/26/290745026.db2.gz BOVXJNYSSHQZFK-WUHRBBMRSA-N 0 0 332.422 -0.470 10 0 EBAERN C[C@@H](CN1CCOCC1)N(C)S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000408396674 295926311 /nfs/dbraw/zinc/92/63/11/295926311.db2.gz UPIIXRIRABPIQK-MELADBBJSA-N 0 0 335.470 -0.007 10 0 EBAERN CS(=O)(=O)NCCNS(=O)(=O)c1ccc(Cl)c(N)c1 ZINC000035797342 213049098 /nfs/dbraw/zinc/04/90/98/213049098.db2.gz WINDDZYOXAYQAD-UHFFFAOYSA-N 0 0 327.815 -0.250 10 0 EBAERN C[C@H]1OCCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)[C@H]1C ZINC000329971822 291201951 /nfs/dbraw/zinc/20/19/51/291201951.db2.gz YTYIQCKBRFISMC-IDTSFGKNSA-N 0 0 336.392 -0.046 10 0 EBAERN COCCSc1nc2nnc3c(CC(=O)OC)nn(C)c3n2n1 ZINC000072462377 216243636 /nfs/dbraw/zinc/24/36/36/216243636.db2.gz JORZIBUOXJBFLM-UHFFFAOYSA-N 0 0 337.365 -0.140 10 0 EBAERN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CCOC[C@H]1C(N)=O ZINC000408317710 291334375 /nfs/dbraw/zinc/33/43/75/291334375.db2.gz HNSDWRQWUIZEQU-VWYCJHECSA-N 0 0 334.394 -0.766 10 0 EBAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000300162279 291379245 /nfs/dbraw/zinc/37/92/45/291379245.db2.gz GUNVOCMSFIJGEV-AXFHLTTASA-N 0 0 339.435 -0.223 10 0 EBAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000318503065 291380943 /nfs/dbraw/zinc/38/09/43/291380943.db2.gz JNUBTPLKJHJEMC-MXWKQRLJSA-N 0 0 331.394 -0.633 10 0 EBAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408333636 291390568 /nfs/dbraw/zinc/39/05/68/291390568.db2.gz GQOSZSBUBWIHLZ-GMTAPVOTSA-N 0 0 339.435 -0.223 10 0 EBAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000377733923 291390927 /nfs/dbraw/zinc/39/09/27/291390927.db2.gz ZTDJLCUPBIWSPO-YVECIDJPSA-N 0 0 332.422 -0.327 10 0 EBAERN O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](CO)C(=O)N2C1)c1cccc(Cl)c1 ZINC000014741380 211759719 /nfs/dbraw/zinc/75/97/19/211759719.db2.gz WWXCJNXNWYZWIS-SRVKXCTJSA-N 0 0 337.763 -0.470 10 0 EBAERN CCCN(C(=O)c1cc(C)nc(N(C)C)n1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000643551316 375897944 /nfs/dbraw/zinc/89/79/44/375897944.db2.gz ZZIPWJAXKSJDQX-MCIONIFRSA-N 0 0 338.408 -0.176 10 0 EBAERN C[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000268686817 375983840 /nfs/dbraw/zinc/98/38/40/375983840.db2.gz QWGXKNAVENKTKO-GWCFXTLKSA-N 0 0 330.410 -0.568 10 0 EBAERN OC[C@H]1O[C@H](Oc2c[nH]c3cc(Cl)ccc23)[C@H](O)[C@H](O)[C@@H]1O ZINC000015205554 375986271 /nfs/dbraw/zinc/98/62/71/375986271.db2.gz OQWBAXBVBGNSPW-KSTCHIGDSA-N 0 0 329.736 0.000 10 0 EBAERN CO[C@@H]1[C@@H](NC(C)=O)[C@@H](OCc2ccccc2)O[C@H](CO)[C@H]1O ZINC000044699122 376114793 /nfs/dbraw/zinc/11/47/93/376114793.db2.gz CQYQHQHAWKRHIV-QCODTGAPSA-N 0 0 325.361 -0.199 10 0 in-vitro EBAERN CC1(C)NC(=O)CC[C@H]1NC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000407987179 376060152 /nfs/dbraw/zinc/06/01/52/376060152.db2.gz WSWZDXVTGRUJTB-GHMZBOCLSA-N 0 0 346.453 -0.233 10 0 EBAERN CC(=O)N1CCC[C@](O)(C(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000408053729 376143136 /nfs/dbraw/zinc/14/31/36/376143136.db2.gz PHAHXAXXFCGIIH-GDBMZVCRSA-N 0 0 325.409 -0.707 10 0 EBAERN CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H]2OC(=O)O[C@H]2[C@@H]1OC(C)=O ZINC000022067118 376243906 /nfs/dbraw/zinc/24/39/06/376243906.db2.gz YVYSWHGJPLCVAV-OSUNSFLBSA-N 0 0 332.261 -0.327 10 0 EBAERN COCCN1CCN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC000408015595 376281165 /nfs/dbraw/zinc/28/11/65/376281165.db2.gz CLBPOOKVAPXYJA-QWHCGFSZSA-N 0 0 333.454 -0.122 10 0 EBAERN CC(C)NS(=O)(=O)CCNC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000408015558 376281332 /nfs/dbraw/zinc/28/13/32/376281332.db2.gz DDASIKRWOOYQEH-QWHCGFSZSA-N 0 0 348.469 -0.571 10 0 EBAERN NS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc3c2OCC(=O)N3)C1 ZINC000408016597 376281603 /nfs/dbraw/zinc/28/16/03/376281603.db2.gz LBRFIEMITHNLFN-VIFPVBQESA-N 0 0 339.373 -0.089 10 0 EBAERN CCCN(C)S(=O)(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408028225 376286206 /nfs/dbraw/zinc/28/62/06/376286206.db2.gz RGXQQCYGKWJBSJ-NEPJUHHUSA-N 0 0 337.417 -0.156 10 0 EBAERN CCS(=O)(=O)N1CCC(NC(=O)[C@@H]2C[C@H](OC)CN2C)CC1 ZINC000408031501 376289673 /nfs/dbraw/zinc/28/96/73/376289673.db2.gz NKRRCFOIPMTTHR-STQMWFEESA-N 0 0 333.454 -0.364 10 0 EBAERN CC1CCC(O)(CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)CC1 ZINC000408045983 376296158 /nfs/dbraw/zinc/29/61/58/376296158.db2.gz JNKLHJJPNNBUSK-PWUWZPNHSA-N 0 0 346.493 -0.297 10 0 EBAERN C[C@@H](C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000408054479 376299268 /nfs/dbraw/zinc/29/92/68/376299268.db2.gz MATIFTZKLWVFSY-OUAUKWLOSA-N 0 0 336.392 -0.181 10 0 EBAERN CC(=O)N1CCC[C@@](O)(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)C1 ZINC000408052917 376299591 /nfs/dbraw/zinc/29/95/91/376299591.db2.gz MTWNVVNKJFMOLB-YOEHRIQHSA-N 0 0 349.435 -0.122 10 0 EBAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCN(Cc3ccon3)CC2)C1 ZINC000408055218 376299620 /nfs/dbraw/zinc/29/96/20/376299620.db2.gz WYDXFWCRDPIFMX-INIZCTEOSA-N 0 0 336.392 -0.308 10 0 EBAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408066128 376303577 /nfs/dbraw/zinc/30/35/77/376303577.db2.gz UYZFRKBQRBPSAI-AALSBFMBSA-N 0 0 340.420 -0.253 10 0 EBAERN CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408065469 376303608 /nfs/dbraw/zinc/30/36/08/376303608.db2.gz OPHARRGMQDSBAO-VWYCJHECSA-N 0 0 332.426 -0.815 10 0 EBAERN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N2CCO[C@H](C(N)=O)C2)C1 ZINC000408179091 376404181 /nfs/dbraw/zinc/40/41/81/376404181.db2.gz AZKQOUYQNURJMF-AGIUHOORSA-N 0 0 340.424 -0.035 10 0 EBAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCN(c3cnn(C)c3)CC2)C1 ZINC000287056350 376358156 /nfs/dbraw/zinc/35/81/56/376358156.db2.gz VTOKTLSJBDSQCC-MRXNPFEDSA-N 0 0 335.408 -0.558 10 0 EBAERN C[C@@H](O)CN1CCN(S(=O)(=O)N2CCOC(C)(C)C2)C[C@@H]1C ZINC000408124393 376377877 /nfs/dbraw/zinc/37/78/77/376377877.db2.gz UUODGDWALDPGSK-QWHCGFSZSA-N 0 0 335.470 -0.271 10 0 EBAERN CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)NCC(=O)N1CCCC1 ZINC000408137261 376382396 /nfs/dbraw/zinc/38/23/96/376382396.db2.gz CZMFTJSHBCZAQD-NEPJUHHUSA-N 0 0 346.453 -0.232 10 0 EBAERN COC(=O)[C@H]1CS(=O)(=O)CCN1CC(=O)N1CCC[C@H](C)C1 ZINC000408229292 376433807 /nfs/dbraw/zinc/43/38/07/376433807.db2.gz POSRVUVUNSNVMG-NWDGAFQWSA-N 0 0 332.422 -0.483 10 0 EBAERN CCS(=O)(=O)NCCN1CCN(c2ccc3nncn3n2)CC1 ZINC000109328778 376603193 /nfs/dbraw/zinc/60/31/93/376603193.db2.gz UDHDCDREZWFMIB-UHFFFAOYSA-N 0 0 339.425 -0.814 10 0 EBAERN CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)cn1 ZINC000408301873 376578368 /nfs/dbraw/zinc/57/83/68/376578368.db2.gz VRWKWDFSYTZTFI-SRVKXCTJSA-N 0 0 325.390 -0.167 10 0 EBAERN CC(C)[C@H](C)CC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000408349057 376713820 /nfs/dbraw/zinc/71/38/20/376713820.db2.gz GOHYHSJMSRQTEW-HZSPNIEDSA-N 0 0 332.466 -0.029 10 0 EBAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000408241832 376766493 /nfs/dbraw/zinc/76/64/93/376766493.db2.gz MTFAWVBPQJFNAO-YNEHKIRRSA-N 0 0 331.438 -0.026 10 0 EBAERN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC000408242193 376764567 /nfs/dbraw/zinc/76/45/67/376764567.db2.gz RDQXMWADMZMIRR-GARJFASQSA-N 0 0 338.451 -0.602 10 0 EBAERN CCS(=O)(=O)NCCNC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408252145 376790731 /nfs/dbraw/zinc/79/07/31/376790731.db2.gz MJLLZDRYSNCGDB-ZDUSSCGKSA-N 0 0 332.426 -0.763 10 0 EBAERN CC1(C)CN(CC(=O)N2CCC[C@H](C(N)=O)C2)CCS1(=O)=O ZINC000408247832 376781136 /nfs/dbraw/zinc/78/11/36/376781136.db2.gz YWBBFTPJJADLOY-NSHDSACASA-N 0 0 331.438 -0.781 10 0 EBAERN CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@]3(CNC(=O)C3)C2)o1 ZINC000408248465 376783590 /nfs/dbraw/zinc/78/35/90/376783590.db2.gz VOBDSHWZUXJQJR-AWEZNQCLSA-N 0 0 341.389 -0.070 10 0 EBAERN CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCOCC1 ZINC000408285777 376831766 /nfs/dbraw/zinc/83/17/66/376831766.db2.gz IRHLMZMTOQAXHS-STQMWFEESA-N 0 0 340.424 -0.068 10 0 EBAERN CCNC(=O)N1CC[C@H](NS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)C1 ZINC000408287432 376833168 /nfs/dbraw/zinc/83/31/68/376833168.db2.gz RQJXCMZBMIMWMR-SRVKXCTJSA-N 0 0 334.442 -0.266 10 0 EBAERN CNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)o1 ZINC000408294039 376838390 /nfs/dbraw/zinc/83/83/90/376838390.db2.gz JYCFGTZPNCZEHX-MWLCHTKSSA-N 0 0 329.378 -0.657 10 0 EBAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCNC(=O)[C@H]2c2ccccc2)C1 ZINC000156162299 376854454 /nfs/dbraw/zinc/85/44/54/376854454.db2.gz LMWORNIOKNAJCF-GOEBONIOSA-N 0 0 344.415 -0.117 10 0 EBAERN C[C@H]1CN(S(=O)(=O)NCC2(CS(C)(=O)=O)CC2)[C@@H](C)CO1 ZINC000408341197 376866622 /nfs/dbraw/zinc/86/66/22/376866622.db2.gz ZLCWQGHTPMPBFY-QWRGUYRKSA-N 0 0 340.467 -0.245 10 0 EBAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@H](C)S(C)(=O)=O)C1 ZINC000408400642 376888496 /nfs/dbraw/zinc/88/84/96/376888496.db2.gz VLVYRGCASKZZGO-UWVGGRQHSA-N 0 0 326.440 -0.652 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCO[C@@H]([C@@H](C)O)C1 ZINC000408470586 376943439 /nfs/dbraw/zinc/94/34/39/376943439.db2.gz RAJKZOIZXAUYQT-JHJVBQTASA-N 0 0 334.438 -0.201 10 0 EBAERN C[S@](=O)CCC(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000159736915 376999681 /nfs/dbraw/zinc/99/96/81/376999681.db2.gz ZDNVWLPIPXUPLH-JOCHJYFZSA-N 0 0 329.466 -0.088 10 0 EBAERN Cc1nc(S(=O)(=O)NCCC(=O)NCc2ccnn2C)cn1C ZINC000101638628 377107690 /nfs/dbraw/zinc/10/76/90/377107690.db2.gz BNDQHRFCJGFZCC-UHFFFAOYSA-N 0 0 340.409 -0.553 10 0 EBAERN COC[C@H](C)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000364441778 377158415 /nfs/dbraw/zinc/15/84/15/377158415.db2.gz OUDQECMDBMTJJD-STQMWFEESA-N 0 0 334.438 -0.078 10 0 EBAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000151297065 377169249 /nfs/dbraw/zinc/16/92/49/377169249.db2.gz CRWVTJTZRADDFV-SNVBAGLBSA-N 0 0 332.364 -0.648 10 0 EBAERN CNC(=O)[C@H]1CN(C(=O)N[C@H]2CC(=O)N(C)C2)C[C@@H]1c1cnn(C)c1 ZINC000332798023 377320557 /nfs/dbraw/zinc/32/05/57/377320557.db2.gz SIFYDEVORHUCKN-XQQFMLRXSA-N 0 0 348.407 -0.878 10 0 EBAERN C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000332828112 377325671 /nfs/dbraw/zinc/32/56/71/377325671.db2.gz NNHABQBKJBFOQW-PXFUTIRASA-N 0 0 327.410 -0.231 10 0 EBAERN Cc1cnn(C[C@H]2CN(C(=O)N[C@@H]3CCS(=O)(=O)C3)CCO2)c1 ZINC000332850571 377328318 /nfs/dbraw/zinc/32/83/18/377328318.db2.gz WATSJNCZFCQACY-CHWSQXEVSA-N 0 0 342.421 -0.211 10 0 EBAERN O=C(N[C@H]1CCCN(c2cccnc2)C1=O)N1CCO[C@H](CO)C1 ZINC000332855132 377330905 /nfs/dbraw/zinc/33/09/05/377330905.db2.gz HVMAWGOKWOAUEW-KBPBESRZSA-N 0 0 334.376 -0.020 10 0 EBAERN COCCN1CCN(CC(=O)NCCCN2CCCC2=O)C[C@H]1C ZINC000105832889 377369211 /nfs/dbraw/zinc/36/92/11/377369211.db2.gz INHKWAORXGLXMU-OAHLLOKOSA-N 0 0 340.468 -0.232 10 0 EBAERN C[C@@H]1CN(C(=O)CNC(=O)c2cccnc2)C[C@H]1N1CCOCC1 ZINC000164422586 377379706 /nfs/dbraw/zinc/37/97/06/377379706.db2.gz SEBWLNRZLLUUNH-UKRRQHHQSA-N 0 0 332.404 -0.010 10 0 EBAERN CN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000005677041 377454597 /nfs/dbraw/zinc/45/45/97/377454597.db2.gz MTNFQUUARKXXKX-ZJUUUORDSA-N 0 0 345.464 -0.988 10 0 EBAERN O=C(CN1CC[C@@H](N2CCOCC2)C1)NC(=O)NCC(F)(F)F ZINC000173922521 377454657 /nfs/dbraw/zinc/45/46/57/377454657.db2.gz DUJAJBOSLHKKED-SNVBAGLBSA-N 0 0 338.330 -0.219 10 0 EBAERN CC[C@@H](C)NC(=O)CN1CCN(C[C@@H](O)CN2CCCC2=O)CC1 ZINC000111682470 378482525 /nfs/dbraw/zinc/48/25/25/378482525.db2.gz FZJBMYGSZNPVMZ-HUUCEWRRSA-N 0 0 340.468 -0.498 10 0 EBAERN CN(C(=S)N[C@@H]1C=CS(=O)(=O)C1)[C@]1(C)CCS(=O)(=O)C1 ZINC000012175599 211311316 /nfs/dbraw/zinc/31/13/16/211311316.db2.gz GYQJHIXANISEDT-MWLCHTKSSA-N 0 0 338.476 -0.319 10 0 EBAERN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)O1 ZINC000623087021 379060361 /nfs/dbraw/zinc/06/03/61/379060361.db2.gz YAIHNVXSRHUIJI-RWMBFGLXSA-N 0 0 344.433 -0.200 10 0 EBAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCN2CCOC[C@H]2C1 ZINC000366506817 379264426 /nfs/dbraw/zinc/26/44/26/379264426.db2.gz UACXHKMPBWZKAM-JHJVBQTASA-N 0 0 332.422 -0.326 10 0 EBAERN O=C1NCCc2ccc(S(=O)(=O)N3CCO[C@@H](CO)C3)cc21 ZINC000269770570 379405828 /nfs/dbraw/zinc/40/58/28/379405828.db2.gz FWWFDNOOXCOOGQ-LLVKDONJSA-N 0 0 326.374 -0.646 10 0 EBAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000623741995 379458816 /nfs/dbraw/zinc/45/88/16/379458816.db2.gz AKSNVFPJOBPSHU-DCAQKATOSA-N 0 0 336.396 -0.040 10 0 EBAERN Cn1ccnc1[C@@H]1CN(C(=O)NC[C@H]2CN(C)CCO2)CCN1C ZINC000275329273 379750607 /nfs/dbraw/zinc/75/06/07/379750607.db2.gz DTFRTOLUVHTIHJ-KBPBESRZSA-N 0 0 336.440 -0.251 10 0 EBAERN CC(=O)NC1CN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)C1 ZINC000276051902 379807336 /nfs/dbraw/zinc/80/73/36/379807336.db2.gz AEENFYLYLYOSHO-UHFFFAOYSA-N 0 0 337.401 -0.031 10 0 EBAERN CN1C[C@@H](NC(=O)N2CCN(c3cncc4ncnn43)CC2)CC1=O ZINC000275484540 379760763 /nfs/dbraw/zinc/76/07/63/379760763.db2.gz AHAUWDKMEDFQOG-NSHDSACASA-N 0 0 344.379 -0.813 10 0 EBAERN CN1C[C@H](C(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)CC1=O ZINC000275535364 379762106 /nfs/dbraw/zinc/76/21/06/379762106.db2.gz DZTBSTBFQYQWRW-VXGBXAGGSA-N 0 0 333.392 -0.656 10 0 EBAERN CN1C[C@@H](C(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)CC1=O ZINC000275535363 379762628 /nfs/dbraw/zinc/76/26/28/379762628.db2.gz DZTBSTBFQYQWRW-RYUDHWBXSA-N 0 0 333.392 -0.656 10 0 EBAERN CCCn1c(N)c(C(=O)CN2CC[C@]3(CCOC3)C2)c(=O)[nH]c1=O ZINC000153478121 379812060 /nfs/dbraw/zinc/81/20/60/379812060.db2.gz JENWSPRZOPOTCT-INIZCTEOSA-N 0 0 336.392 -0.176 10 0 EBAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000278332741 379918973 /nfs/dbraw/zinc/91/89/73/379918973.db2.gz ZNECFLMLLVGTHK-BXUZGUMPSA-N 0 0 344.437 -0.226 10 0 EBAERN C[C@@H](C(=O)N1CCc2ccccc21)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000246702370 380005503 /nfs/dbraw/zinc/00/55/03/380005503.db2.gz SIYJSJHHVTZSBS-JSGCOSHPSA-N 0 0 342.399 -0.393 10 0 EBAERN CNC(=O)c1ccc(S(=O)(=O)N2CC(=O)NCC2(C)C)cc1 ZINC000281857220 380044824 /nfs/dbraw/zinc/04/48/24/380044824.db2.gz BRRJNOPXLZKWAN-UHFFFAOYSA-N 0 0 325.390 -0.055 10 0 EBAERN CN1C(=O)[C@@H]2CN(C(=O)Cn3c4ccccc4[nH]c3=O)CCN2C1=O ZINC000371170477 380634164 /nfs/dbraw/zinc/63/41/64/380634164.db2.gz OKNUNOWUGXDZEB-LBPRGKRZSA-N 0 0 343.343 -0.153 10 0 EBAERN C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000171558868 380732573 /nfs/dbraw/zinc/73/25/73/380732573.db2.gz SOAAGTKIDOGJRD-STQMWFEESA-N 0 0 336.436 -0.286 10 0 EBAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)CCNS(C)(=O)=O)CC2 ZINC000172420392 380739042 /nfs/dbraw/zinc/73/90/42/380739042.db2.gz ZCOCVHSXCJFOGV-SNVBAGLBSA-N 0 0 329.426 -0.228 10 0 EBAERN CN1C[C@H]2CN(Cc3nnnn3CC3CCOCC3)CCN2C1=O ZINC000373237524 380744723 /nfs/dbraw/zinc/74/47/23/380744723.db2.gz RYQPIFBDQNSNJM-ZDUSSCGKSA-N 0 0 335.412 -0.349 10 0 EBAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Cn1nnc2ccccc2c1=O ZINC000032465211 381179958 /nfs/dbraw/zinc/17/99/58/381179958.db2.gz ZSSNGTWYNVMANS-CYBMUJFWSA-N 0 0 329.360 -0.129 10 0 EBAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(=O)n(CCOC)n1)CC2 ZINC000114870172 381258566 /nfs/dbraw/zinc/25/85/66/381258566.db2.gz WCQGJGHHRNYDJS-NSHDSACASA-N 0 0 346.391 -0.212 10 0 EBAERN CN1CCO[C@@H](CNC(=O)[C@@H]2COCCN2CC(F)(F)F)C1 ZINC000332821748 381266489 /nfs/dbraw/zinc/26/64/89/381266489.db2.gz BTVONKHIZKEGKT-QWRGUYRKSA-N 0 0 325.331 -0.304 10 0 EBAERN COc1ncc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cn1 ZINC000584596981 381233721 /nfs/dbraw/zinc/23/37/21/381233721.db2.gz RPJPTTPMSPDSIM-UHFFFAOYSA-N 0 0 333.333 -0.020 10 0 EBAERN CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(Br)c(N)nc1=O ZINC000584637885 381233921 /nfs/dbraw/zinc/23/39/21/381233921.db2.gz SKPFQFPIJCDZMV-JXOAFFINSA-N 0 0 336.142 -0.904 10 0 EBAERN Cn1c(=O)ccn(CC(=O)N2CCCN(c3cccnn3)CC2)c1=O ZINC000105810964 381250325 /nfs/dbraw/zinc/25/03/25/381250325.db2.gz JLWKZCRLVPJWJV-UHFFFAOYSA-N 0 0 344.375 -0.924 10 0 EBAERN O=C(CCn1nc2ccccn2c1=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000127231717 381292491 /nfs/dbraw/zinc/29/24/91/381292491.db2.gz UUAIRYPBMQVHCW-CQSZACIVSA-N 0 0 345.403 -0.135 10 0 EBAERN CC(=O)N[C@H]1CCCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000125229310 381283492 /nfs/dbraw/zinc/28/34/92/381283492.db2.gz MUMOYFZNKGIYDU-JTQLQIEISA-N 0 0 334.380 -0.939 10 0 EBAERN Cn1c(=O)ccn(CC(=O)N2CC[C@H](Oc3cccnc3)C2)c1=O ZINC000135811433 381324263 /nfs/dbraw/zinc/32/42/63/381324263.db2.gz 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ZINC000329971823 381702144 /nfs/dbraw/zinc/70/21/44/381702144.db2.gz YTYIQCKBRFISMC-LWWSYDQCSA-N 0 0 336.392 -0.046 10 0 EBAERN O=C([C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@H](CO)C1)N1CCOCC1 ZINC000333386121 381914384 /nfs/dbraw/zinc/91/43/84/381914384.db2.gz BSGCRINAQAMBMC-ZNMIVQPWSA-N 0 0 338.404 -0.353 10 0 EBAERN Cc1cc(N2CC[C@@H](NC(=O)N3CCO[C@@H](CO)C3)C2=O)n(C)n1 ZINC000267768617 382044776 /nfs/dbraw/zinc/04/47/76/382044776.db2.gz XEYVEZPOOSGCLV-VXGBXAGGSA-N 0 0 337.380 -0.763 10 0 EBAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC000370534301 382054650 /nfs/dbraw/zinc/05/46/50/382054650.db2.gz DQPVZPVTVNPIRN-FZMZJTMJSA-N 0 0 331.438 -0.169 10 0 EBAERN COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)[C@H](C)C1CCOCC1 ZINC000408356416 291919900 /nfs/dbraw/zinc/91/99/00/291919900.db2.gz QKJVUIJSSQFAPM-ZYHUDNBSSA-N 0 0 333.406 -0.152 10 0 EBAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000300158881 155166578 /nfs/dbraw/zinc/16/65/78/155166578.db2.gz CMFCRPQRAKGJJA-HBNTYKKESA-N 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155205863 /nfs/dbraw/zinc/20/58/63/155205863.db2.gz CHCCYUGYURCKFJ-QGZVFWFLSA-N 0 0 342.355 -0.001 10 0 EBAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000329116359 155205340 /nfs/dbraw/zinc/20/53/40/155205340.db2.gz INSVXSAYPMTZJX-ZBFHGGJFSA-N 0 0 336.392 -0.516 10 0 EBAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CSC[C@H]1C(=O)N(C)C1CC1 ZINC000329223103 155213220 /nfs/dbraw/zinc/21/32/20/155213220.db2.gz XLEKELIVQMVKQB-XQQFMLRXSA-N 0 0 341.433 -0.510 10 0 EBAERN C[C@H]1C[C@@H](O)CCN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000329227213 155213519 /nfs/dbraw/zinc/21/35/19/155213519.db2.gz HZRLSFJPWUGZSP-KKUMJFAQSA-N 0 0 339.436 -0.461 10 0 EBAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000329383240 155221577 /nfs/dbraw/zinc/22/15/77/155221577.db2.gz OLTMCEIFPCTUBI-UQOMUDLDSA-N 0 0 325.409 -0.710 10 0 EBAERN O=C(CCN1CCCS1(=O)=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000329531268 155230263 /nfs/dbraw/zinc/23/02/63/155230263.db2.gz JGJXHNBIGCCULU-UHFFFAOYSA-N 0 0 341.437 -0.521 10 0 EBAERN CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C[C@@H]1O ZINC000329574849 155231547 /nfs/dbraw/zinc/23/15/47/155231547.db2.gz VMBXKCWAZJCMMG-RQJABVFESA-N 0 0 326.393 -0.378 10 0 EBAERN COCCN1CCN(C(=O)CCN2CCCS2(=O)=O)C[C@H]1C ZINC000329677203 155235338 /nfs/dbraw/zinc/23/53/38/155235338.db2.gz WOSNKRAYOHJAKT-CYBMUJFWSA-N 0 0 333.454 -0.409 10 0 EBAERN C[C@H](C(=O)N(C)CC(=O)N1CC[C@H](N2CCOCC2)C1)n1cccn1 ZINC000329727814 155237399 /nfs/dbraw/zinc/23/73/99/155237399.db2.gz GYGGGHKXMYGYDN-CABCVRRESA-N 0 0 349.435 -0.164 10 0 EBAERN CS(=O)(=O)N1CCC(c2nc([C@H]3CN4CCN3CC4)no2)CC1 ZINC000329734099 155238043 /nfs/dbraw/zinc/23/80/43/155238043.db2.gz RDOJJYRLSLTGPX-GFCCVEGCSA-N 0 0 341.437 -0.119 10 0 EBAERN CO[C@H]1C[C@H](C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)N(C(C)=O)C1 ZINC000329902980 155246414 /nfs/dbraw/zinc/24/64/14/155246414.db2.gz PVCLNBQDXQKKEM-ARLBYUKCSA-N 0 0 339.436 -0.199 10 0 EBAERN Cn1cc([C@H]2[C@H](C(=O)N3CCO[C@H](C4CC4)C3)OCC(=O)N2C)cn1 ZINC000329977124 155247547 /nfs/dbraw/zinc/24/75/47/155247547.db2.gz FYPDXGKOLRALLK-CWRNSKLLSA-N 0 0 348.403 -0.044 10 0 EBAERN O=C1CCCN1C[C@H](O)CN1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000330052260 155253353 /nfs/dbraw/zinc/25/33/53/155253353.db2.gz OULRUEXEMCAEBF-CYBMUJFWSA-N 0 0 345.465 -0.484 10 0 EBAERN Cn1cc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)cc1C(N)=O ZINC000056058436 154087864 /nfs/dbraw/zinc/08/78/64/154087864.db2.gz LSJAEHKLLUYALM-LLVKDONJSA-N 0 0 326.422 -0.017 10 0 EBAERN CCN1CCN(CC(=O)N2CCC[C@H]2c2cnn(C)c2)C(=O)C1=O ZINC000171349794 154095156 /nfs/dbraw/zinc/09/51/56/154095156.db2.gz VVXZOOOPOJTSQH-ZDUSSCGKSA-N 0 0 333.392 -0.226 10 0 EBAERN Nc1c(C(=O)CN2C[C@H]3CCC[C@@H](C2)C3O)c(=O)[nH]c(=O)n1C1CC1 ZINC000172035633 154096726 /nfs/dbraw/zinc/09/67/26/154096726.db2.gz PJKREQMDKOJRSP-XFLKPENQSA-N 0 0 348.403 -0.271 10 0 EBAERN Cn1cc(S(=O)(=O)NCCN2CCC[C@@H](n3cncn3)C2)cn1 ZINC000173699666 154100492 /nfs/dbraw/zinc/10/04/92/154100492.db2.gz MNUUFLIMVVMWJE-GFCCVEGCSA-N 0 0 339.425 -0.373 10 0 EBAERN Cc1cnn(CCNC(=O)N(C)C[C@@H](O)CN2CCOCC2)c1 ZINC000175793213 154109524 /nfs/dbraw/zinc/10/95/24/154109524.db2.gz PINVSJJZQLPQKP-CQSZACIVSA-N 0 0 325.413 -0.474 10 0 EBAERN O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCO[C@H](Cn2cccn2)C1 ZINC000178227337 154116099 /nfs/dbraw/zinc/11/60/99/154116099.db2.gz MNOUXSCDSCAUHT-OCCSQVGLSA-N 0 0 344.375 -0.113 10 0 EBAERN NS(=O)(=O)Cc1cccc(C(=O)NC[C@H]2CN3CCN2CC3)c1 ZINC000178631529 154118372 /nfs/dbraw/zinc/11/83/72/154118372.db2.gz SMRUGBHFOGERBJ-AWEZNQCLSA-N 0 0 338.433 -0.795 10 0 EBAERN Nc1c(C(=O)CN2CC[N@@H+]3CCC[C@H]3C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000178641540 154118995 /nfs/dbraw/zinc/11/89/95/154118995.db2.gz GKPBHXJDRBEGAR-NSHDSACASA-N 0 0 333.392 -0.584 10 0 EBAERN O=C(NC[C@H]1CN(C2CC2)CCO1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000178240034 154119146 /nfs/dbraw/zinc/11/91/46/154119146.db2.gz TWQFVRVOWFRBCW-FZMZJTMJSA-N 0 0 333.392 -0.258 10 0 EBAERN Cn1c2ncn(CC(=O)N[C@H]3CCCC[C@H]3CO)c2c(=O)n(C)c1=O ZINC000179252411 154123448 /nfs/dbraw/zinc/12/34/48/154123448.db2.gz HWSGTVDEFMFQSU-QWRGUYRKSA-N 0 0 349.391 -0.899 10 0 EBAERN Cc1cnn(C[C@H]2CN(Cc3cn(C)c(=O)n(C)c3=O)CCO2)c1 ZINC000179536712 154126014 /nfs/dbraw/zinc/12/60/14/154126014.db2.gz WCJSMOBPBOKFKN-CQSZACIVSA-N 0 0 333.392 -0.510 10 0 EBAERN Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)n(C)n1 ZINC000180252340 154128090 /nfs/dbraw/zinc/12/80/90/154128090.db2.gz LRQJISRYTQYPMQ-DGCLKSJQSA-N 0 0 335.408 -0.154 10 0 EBAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000181680102 154130152 /nfs/dbraw/zinc/13/01/52/154130152.db2.gz GVVVKWGWNHUYKS-SNVBAGLBSA-N 0 0 332.368 -0.126 10 0 EBAERN CC1(Cn2cc(C(=O)NC[C@H]3CN(C4CC4)CCO3)nn2)COC1 ZINC000183659310 154135104 /nfs/dbraw/zinc/13/51/04/154135104.db2.gz QORLOHGZRUVYRE-ZDUSSCGKSA-N 0 0 335.408 -0.092 10 0 EBAERN C[C@H]1C(=O)NCCCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000188838386 154150002 /nfs/dbraw/zinc/15/00/02/154150002.db2.gz CEZHFLGVPGZODY-JTQLQIEISA-N 0 0 330.344 -0.573 10 0 EBAERN C[C@@H]1C(=O)NCCCN1C(=O)CN1CCN(c2ccccn2)CC1 ZINC000188075876 154150128 /nfs/dbraw/zinc/15/01/28/154150128.db2.gz CFKLFIZSHADQPQ-CQSZACIVSA-N 0 0 331.420 -0.059 10 0 EBAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CC(NC(=O)C2CC2)C1 ZINC000189500306 154151926 /nfs/dbraw/zinc/15/19/26/154151926.db2.gz CZCYUYCKMZLOEI-UHFFFAOYSA-N 0 0 342.355 -0.573 10 0 EBAERN O=C(NC[C@H]1CN2CCN1CC2)c1cc(N2CCOCC2)ccn1 ZINC000190240300 154154191 /nfs/dbraw/zinc/15/41/91/154154191.db2.gz LOEWUHQKNZRFPA-HNNXBMFYSA-N 0 0 331.420 -0.352 10 0 EBAERN CCS(=O)(=O)CCNC(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189804592 154155171 /nfs/dbraw/zinc/15/51/71/154155171.db2.gz RTQPGRGGNPEFOA-UHFFFAOYSA-N 0 0 329.426 -0.016 10 0 EBAERN O=C(NC[C@H](O)CN1CCOCC1)[C@@H]1CCCN1c1nccs1 ZINC000192579240 154158499 /nfs/dbraw/zinc/15/84/99/154158499.db2.gz LDAWYMKSTLYQHN-STQMWFEESA-N 0 0 340.449 -0.079 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H]1CN2CCN1CC2 ZINC000246114975 154181285 /nfs/dbraw/zinc/18/12/85/154181285.db2.gz OFDIFMVDCHEDFG-KBPBESRZSA-N 0 0 344.481 -0.693 10 0 EBAERN CN(CCCNC(=O)CN1CCOC[C@H]1C(N)=O)c1ccccc1 ZINC000246456722 154184631 /nfs/dbraw/zinc/18/46/31/154184631.db2.gz NYCGSKVRLFNGJD-HNNXBMFYSA-N 0 0 334.420 -0.185 10 0 EBAERN C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000247024130 154186183 /nfs/dbraw/zinc/18/61/83/154186183.db2.gz NATGGNDQOMEVPJ-RQICVUQASA-N 0 0 330.450 -0.229 10 0 EBAERN C[C@H]1Cc2ccccc2N1C(=O)CN1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000248174462 154188983 /nfs/dbraw/zinc/18/89/83/154188983.db2.gz VJOKWDXQICCQLE-JSGCOSHPSA-N 0 0 342.399 -0.393 10 0 EBAERN CCn1cc([C@H]2CN(CC(=O)N[C@H](C)C(=O)N(C)C)CCO2)cn1 ZINC000248828682 154192198 /nfs/dbraw/zinc/19/21/98/154192198.db2.gz XYOKUUKQUUJUOA-TZMCWYRMSA-N 0 0 337.424 -0.131 10 0 EBAERN CCC[C@@H](NC(N)=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000262482432 154233507 /nfs/dbraw/zinc/23/35/07/154233507.db2.gz DQQPAHXMPZNBHQ-NWDGAFQWSA-N 0 0 325.413 -0.754 10 0 EBAERN CN1C[C@H](NC(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)CC1=O ZINC000275723885 154664363 /nfs/dbraw/zinc/66/43/63/154664363.db2.gz OWMJMLPOADOMGA-VXGBXAGGSA-N 0 0 348.407 -0.721 10 0 EBAERN C[C@@H]1C(=O)NCCN1C(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000281385784 154777139 /nfs/dbraw/zinc/77/71/39/154777139.db2.gz BAXPJBSWUHCCFQ-NEPJUHHUSA-N 0 0 348.407 -0.721 10 0 EBAERN COc1ccnc(N2CCN(C(=O)N[C@H]3CCC(=O)N[C@H]3C)CC2)n1 ZINC000282121470 154794587 /nfs/dbraw/zinc/79/45/87/154794587.db2.gz GKZKJVCAKRMTNS-RYUDHWBXSA-N 0 0 348.407 -0.016 10 0 EBAERN C[C@H]1OCC[C@H]1S(=O)(=O)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000333028091 155490490 /nfs/dbraw/zinc/49/04/90/155490490.db2.gz BOPXEXCVIPMQLE-VZZFWQQMSA-N 0 0 329.422 -0.065 10 0 EBAERN CN1CCN(CC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC1=O ZINC000333223836 155499566 /nfs/dbraw/zinc/49/95/66/155499566.db2.gz FGNHJBVRAVSOET-KGLIPLIRSA-N 0 0 336.436 -0.332 10 0 EBAERN CN(C)S(=O)(=O)CCNC(=O)[C@H]1CCO[C@@H]1c1ccnn1C ZINC000359796737 157342907 /nfs/dbraw/zinc/34/29/07/157342907.db2.gz XXFJFKRGDFMFOM-JQWIXIFHSA-N 0 0 330.410 -0.495 10 0 EBAERN CN(C)S(=O)(=O)CCNC(=O)[C@H]1CCO[C@H]1c1ccnn1C ZINC000359796734 157343375 /nfs/dbraw/zinc/34/33/75/157343375.db2.gz XXFJFKRGDFMFOM-CMPLNLGQSA-N 0 0 330.410 -0.495 10 0 EBAERN COC(=O)C1(CS(=O)(=O)N2C[C@@H]3[C@H](C2)OCCN3C)CCC1 ZINC000360260051 157370764 /nfs/dbraw/zinc/37/07/64/157370764.db2.gz BNNILAXEGMWHAZ-NEPJUHHUSA-N 0 0 332.422 -0.326 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000408007333 157703145 /nfs/dbraw/zinc/70/31/45/157703145.db2.gz HMBOJCYDQLDMQX-QWRGUYRKSA-N 0 0 338.451 -0.506 10 0 EBAERN C[C@H]1OCCN(S(=O)(=O)c2ccc3c(c2)OCO3)[C@@H]1C(N)=O ZINC000408031991 157705746 /nfs/dbraw/zinc/70/57/46/157705746.db2.gz RHSVSSJWGNDKFK-PELKAZGASA-N 0 0 328.346 -0.321 10 0 EBAERN C[C@H](O)C(=O)N1CCN(C(=O)c2nn(C)c3ccccc3c2=O)CC1 ZINC000408046079 157707241 /nfs/dbraw/zinc/70/72/41/157707241.db2.gz VAAKDOUMGXBTFB-NSHDSACASA-N 0 0 344.371 -0.401 10 0 EBAERN CC(=O)N1CC[C@H](C(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)C1 ZINC000408055319 157708194 /nfs/dbraw/zinc/70/81/94/157708194.db2.gz TUBNXWGRFYKHSF-AVGNSLFASA-N 0 0 331.438 -0.169 10 0 EBAERN Cn1c(=O)cccc1C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408054801 157708417 /nfs/dbraw/zinc/70/84/17/157708417.db2.gz UOUDWOFJWGRWQV-YPMHNXCESA-N 0 0 337.351 -0.203 10 0 EBAERN O=C(CN1CCS(=O)(=O)CC1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408305201 157720684 /nfs/dbraw/zinc/72/06/84/157720684.db2.gz HYESPLYOYODUMS-LLVKDONJSA-N 0 0 344.355 -0.367 10 0 EBAERN Cn1nccc1N1CCC[C@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1=O ZINC000408342323 157721915 /nfs/dbraw/zinc/72/19/15/157721915.db2.gz WWDXNGBRGSHQGV-NEPJUHHUSA-N 0 0 333.392 -0.100 10 0 EBAERN CCS(=O)(=O)N(C)CC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408248761 286648459 /nfs/dbraw/zinc/64/84/59/286648459.db2.gz JNQZXYNBYMEWAB-UHFFFAOYSA-N 0 0 326.440 -0.697 10 0 EBAERN C[C@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@H]1N1CCOCC1 ZINC000408005326 419132704 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Cn1cc([C@H]2[C@H](CNC(=O)N3CCOCCN3)OCCN2C)cn1 ZINC000895803325 582653845 /nfs/dbraw/zinc/65/38/45/582653845.db2.gz GWOUYLISHNQITK-KBPBESRZSA-N 0 0 338.412 -0.662 10 0 EBAERN O=C(NC[C@@H](O)CN1CCOCC1)[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000900150856 582762719 /nfs/dbraw/zinc/76/27/19/582762719.db2.gz OELBDTCNQRXBMI-NUJGCVRESA-N 0 0 334.416 -0.112 10 0 EBAERN Cn1ncc(Cl)c1CN1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886026666 584655536 /nfs/dbraw/zinc/65/55/36/584655536.db2.gz DNYOSNXJEZOZEQ-AWEZNQCLSA-N 0 0 327.816 -0.165 10 0 EBAERN O=C([O-])[C@]1([NH+]2CCN(C(=O)CCc3ccncn3)CC2)CCOC1 ZINC000886077980 584655702 /nfs/dbraw/zinc/65/57/02/584655702.db2.gz TWIUXQIJPKLSTG-INIZCTEOSA-N 0 0 334.376 -0.203 10 0 EBAERN Cc1noc(C[C@]2(O)CCCN(CCS(=O)(=O)N(C)C)C2)n1 ZINC000886079193 584655907 /nfs/dbraw/zinc/65/59/07/584655907.db2.gz BGGMACCMIXIIQL-CYBMUJFWSA-N 0 0 332.426 -0.361 10 0 EBAERN CNC(=O)CNC(=O)C[C@H]1C(=O)NCCN1C/C=C\c1ccccc1 ZINC000096822784 649973377 /nfs/dbraw/zinc/97/33/77/649973377.db2.gz 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/nfs/dbraw/zinc/24/31/17/380243117.db2.gz DTMSJOBOQHGINX-KRWDZBQOSA-N 0 0 347.419 -0.193 10 0 EBAERN Cn1nccc1[C@H]1[C@H](NC(=O)[C@@]2(C)CCC(=O)NC2)CC(=O)N1C ZINC000285375537 380243213 /nfs/dbraw/zinc/24/32/13/380243213.db2.gz FOHLTSOPSMMAFT-HQQWDMGQSA-N 0 0 333.392 -0.276 10 0 EBAERN CC(=O)OC[C@H](OC(C)=O)[C@@H]1OC(=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000015258728 380487612 /nfs/dbraw/zinc/48/76/12/380487612.db2.gz DDWMFFZVZXMXCS-RVMXOQNASA-N 0 0 346.288 -0.730 10 0 EBAERN CNS(=O)(=O)CC(=O)N1CCCC[C@@H]1Cn1nc(C)nc1C ZINC000371180098 380635995 /nfs/dbraw/zinc/63/59/95/380635995.db2.gz GUWXEXFQPOOQMG-GFCCVEGCSA-N 0 0 329.426 -0.175 10 0 EBAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C[C@@H](O)CN2CCOCC2)C1 ZINC000189352255 380901668 /nfs/dbraw/zinc/90/16/68/380901668.db2.gz XWPQEZWRQDKDNH-MELADBBJSA-N 0 0 326.397 -0.167 10 0 EBAERN O=C(NCCCn1cc(CO)nn1)[C@H]1COCCN1CC1CCC1 ZINC000377970537 381005046 /nfs/dbraw/zinc/00/50/46/381005046.db2.gz JRPYGHLCBOIYFI-OAHLLOKOSA-N 0 0 337.424 -0.222 10 0 EBAERN CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000368494758 381163077 /nfs/dbraw/zinc/16/30/77/381163077.db2.gz GYGGUSNMTCGIFX-NHYWBVRUSA-N 0 0 326.397 -0.592 10 0 EBAERN C[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000033050213 381184206 /nfs/dbraw/zinc/18/42/06/381184206.db2.gz VYLCPNCLVMZKFL-NSHDSACASA-N 0 0 343.405 -0.104 10 0 EBAERN O=C(NCc1cccnc1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000028097410 381252353 /nfs/dbraw/zinc/25/23/53/381252353.db2.gz WCQSCMFVRZBHCX-CHWSQXEVSA-N 0 0 337.401 -0.267 10 0 EBAERN CCc1nc2n(n1)C[C@H](NC(=O)Cn1nc3ccccn3c1=O)CC2 ZINC000114867730 381259297 /nfs/dbraw/zinc/25/92/97/381259297.db2.gz NBDDRRCCXKLXOC-LLVKDONJSA-N 0 0 341.375 -0.219 10 0 EBAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000119224138 381261521 /nfs/dbraw/zinc/26/15/21/381261521.db2.gz APTPGJSYJQLVFA-NSHDSACASA-N 0 0 331.380 -0.408 10 0 EBAERN CN1CCO[C@@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000332793887 381266043 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CNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)c1 ZINC000352051658 381866034 /nfs/dbraw/zinc/86/60/34/381866034.db2.gz DOBSJJBCABUOMZ-KGLIPLIRSA-N 0 0 339.417 -0.250 10 0 EBAERN CC1(C)CN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C[C@@H](CO)O1 ZINC000333712543 381952452 /nfs/dbraw/zinc/95/24/52/381952452.db2.gz IOSFEZFHPSYQCX-SDDRHHMPSA-N 0 0 325.369 -0.601 10 0 EBAERN COCCNC(=O)CN1CCN(Cc2ccc(C)cc2)C(=O)C1=O ZINC000064888658 382064246 /nfs/dbraw/zinc/06/42/46/382064246.db2.gz RNZMNMSSHFOEKP-UHFFFAOYSA-N 0 0 333.388 -0.072 10 0 EBAERN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCOC[C@H]1C(N)=O ZINC000367447433 296335842 /nfs/dbraw/zinc/33/58/42/296335842.db2.gz BPWCVIPRBLBFSZ-WOPDTQHZSA-N 0 0 326.397 -0.423 10 0 EBAERN CS(=O)(=O)NC[C@@]12COC[C@@H]1CN(C(=O)c1ccnnc1)C2 ZINC000247541165 257680385 /nfs/dbraw/zinc/68/03/85/257680385.db2.gz SHYNDQIENWMFJJ-WCQYABFASA-N 0 0 326.378 -0.886 10 0 EBAERN COC(=O)CN1CCN(c2cnn(C)c(=O)c2Br)CC1 ZINC000301252251 155169740 /nfs/dbraw/zinc/16/97/40/155169740.db2.gz 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155227707 /nfs/dbraw/zinc/22/77/07/155227707.db2.gz SPHIICHVNXCJIO-UHFFFAOYSA-N 0 0 344.371 -0.136 10 0 EBAERN O=C(c1ccccc1)N1CC(S(=O)(=O)N2CCO[C@@H](CO)C2)C1 ZINC000329553614 155229040 /nfs/dbraw/zinc/22/90/40/155229040.db2.gz PTYUQDRUUSLTHR-CYBMUJFWSA-N 0 0 340.401 -0.466 10 0 EBAERN CO[C@H]1C[C@H](C(=O)N2CCS(=O)(=O)C(C)(C)C2)N(C(C)=O)C1 ZINC000408441131 286103300 /nfs/dbraw/zinc/10/33/00/286103300.db2.gz CNDBSWPWNRKKSB-NWDGAFQWSA-N 0 0 332.422 -0.342 10 0 EBAERN CC[C@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@@H]1N1CCOCC1 ZINC000329745820 155237814 /nfs/dbraw/zinc/23/78/14/155237814.db2.gz RLHSKODTTGTOOH-AAEUAGOBSA-N 0 0 336.392 -0.331 10 0 EBAERN C[C@@H]1CN(S(=O)(=O)NC[C@H]2CN(C3CC3)CCO2)C[C@H](C)O1 ZINC000329767260 155240309 /nfs/dbraw/zinc/24/03/09/155240309.db2.gz ZGGLZYYEXVKYIS-SCRDCRAPSA-N 0 0 333.454 -0.207 10 0 EBAERN O=C(Cc1cncnc1)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000329826356 155240499 /nfs/dbraw/zinc/24/04/99/155240499.db2.gz IJPQPELEXZUBHY-UHFFFAOYSA-N 0 0 347.400 -0.053 10 0 EBAERN O=C([C@@H]1OC[C@H]2COCC[C@H]21)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329802112 155240540 /nfs/dbraw/zinc/24/05/40/155240540.db2.gz ZBRFXSZOBSOXKI-APIJFGDWSA-N 0 0 338.404 -0.112 10 0 EBAERN CO[C@H]1C[C@H](C(=O)N2CCO[C@@H](C3CC3)C2)N(S(C)(=O)=O)C1 ZINC000329890712 155244104 /nfs/dbraw/zinc/24/41/04/155244104.db2.gz GRWRBDMKTWPTEL-YNEHKIRRSA-N 0 0 332.422 -0.327 10 0 EBAERN Cn1nncc1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000330055751 155253115 /nfs/dbraw/zinc/25/31/15/155253115.db2.gz UUZVQZZABAMNJV-SNVBAGLBSA-N 0 0 345.450 -0.456 10 0 EBAERN O=C(N1CC(S(=O)(=O)NC2CCCC2)C1)C1(O)CCOCC1 ZINC000330093143 155255118 /nfs/dbraw/zinc/25/51/18/155255118.db2.gz RIOAJYSTMOYVNO-UHFFFAOYSA-N 0 0 332.422 -0.399 10 0 EBAERN C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000103284102 154088093 /nfs/dbraw/zinc/08/80/93/154088093.db2.gz RAGXRPISGAZADB-JSGCOSHPSA-N 0 0 336.436 -0.347 10 0 EBAERN CCn1c(N)c(C(=O)CN2CC[C@H]3OCCC[C@@H]3C2)c(=O)[nH]c1=O ZINC000155378461 154092906 /nfs/dbraw/zinc/09/29/06/154092906.db2.gz BVWRITSHXAEYFD-ZYHUDNBSSA-N 0 0 336.392 -0.178 10 0 EBAERN C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN2CCC[C@@H]2C1 ZINC000171643092 154095417 /nfs/dbraw/zinc/09/54/17/154095417.db2.gz LAGNLRHZPIFJBC-MCIONIFRSA-N 0 0 329.466 -0.200 10 0 EBAERN CCc1nc2n(n1)C[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)CC2 ZINC000173767938 154100961 /nfs/dbraw/zinc/10/09/61/154100961.db2.gz NCOBRIBPDFVDSC-SECBINFHSA-N 0 0 329.426 -0.401 10 0 EBAERN CCn1c(N)c(C(=O)CN2CCC[C@@H]2c2cnn(C)c2)c(=O)[nH]c1=O ZINC000173314870 154101988 /nfs/dbraw/zinc/10/19/88/154101988.db2.gz WKMOLPMPOGGMNU-LLVKDONJSA-N 0 0 346.391 -0.108 10 0 EBAERN CCc1cc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)n(C)n1 ZINC000174009919 154104661 /nfs/dbraw/zinc/10/46/61/154104661.db2.gz QQJGLZQEKRJDBV-CYBMUJFWSA-N 0 0 335.408 -0.146 10 0 EBAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CCN1CCCS1(=O)=O ZINC000177687799 154115829 /nfs/dbraw/zinc/11/58/29/154115829.db2.gz CICYHGXSTWYHGI-LLVKDONJSA-N 0 0 327.410 -0.037 10 0 EBAERN CCc1cc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)n(C)n1 ZINC000177604474 154116240 /nfs/dbraw/zinc/11/62/40/154116240.db2.gz FWOSYLLGNQGALF-VXGBXAGGSA-N 0 0 337.424 -0.166 10 0 EBAERN CCCC[C@H](NC(=O)NCC)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000178644457 154118501 /nfs/dbraw/zinc/11/85/01/154118501.db2.gz JYCSWKNOKVRZBL-KGLIPLIRSA-N 0 0 325.457 -0.020 10 0 EBAERN Cc1ccc(C(=O)NCCC(=O)NC[C@H]2CN3CCN2CC3)c(O)c1 ZINC000179025353 154122175 /nfs/dbraw/zinc/12/21/75/154122175.db2.gz VENDKNFVHDWOJS-AWEZNQCLSA-N 0 0 346.431 -0.063 10 0 EBAERN CCS(=O)(=O)NCC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000179252558 154122934 /nfs/dbraw/zinc/12/29/34/154122934.db2.gz GZJZLTLRTYZHHI-JTQLQIEISA-N 0 0 329.426 -0.228 10 0 EBAERN CN(C(=O)Cn1ncn(C)c1=O)[C@H]1CCCN(c2cccnn2)C1 ZINC000182037038 154132597 /nfs/dbraw/zinc/13/25/97/154132597.db2.gz MXBAOGKZULSGAS-LBPRGKRZSA-N 0 0 331.380 -0.501 10 0 EBAERN COCC(=O)NC1CN(C(=O)c2nc(-c3cnn(C)c3)oc2C)C1 ZINC000185305970 154139471 /nfs/dbraw/zinc/13/94/71/154139471.db2.gz OZALTLXQMUKCFI-UHFFFAOYSA-N 0 0 333.348 -0.029 10 0 EBAERN O=C(CN1C[C@H](O)C[C@@H]1CO)NCCc1cnn(-c2ccccc2)c1 ZINC000185177129 154140291 /nfs/dbraw/zinc/14/02/91/154140291.db2.gz KVVKUNOEUUGQBW-IAGOWNOFSA-N 0 0 344.415 -0.042 10 0 EBAERN CN(CC(=O)N1CC(NC(=O)C2CC2)C1)c1ncnc2nc[nH]c21 ZINC000189430538 154151559 /nfs/dbraw/zinc/15/15/59/154151559.db2.gz ADXBFSVFLYMRGB-UHFFFAOYSA-N 0 0 329.364 -0.474 10 0 EBAERN Cc1cc(N2CCN(C(=O)N[C@H](C)CS(C)(=O)=O)CC2)n[nH]1 ZINC000189972852 154154147 /nfs/dbraw/zinc/15/41/47/154154147.db2.gz WJYAZCYRXOTROO-LLVKDONJSA-N 0 0 329.426 -0.017 10 0 EBAERN CCn1cc([C@H]2CN(CC(=O)N3CCN(C(C)=O)CC3)CCO2)cn1 ZINC000190786952 154154806 /nfs/dbraw/zinc/15/48/06/154154806.db2.gz PRQYRUZYIIXEDQ-MRXNPFEDSA-N 0 0 349.435 -0.033 10 0 EBAERN C[C@H]1CN(CCN2CCN(c3ccc4nncn4n3)CC2)CCO1 ZINC000191482497 154156593 /nfs/dbraw/zinc/15/65/93/154156593.db2.gz MFZYHZKURUFXCL-AWEZNQCLSA-N 0 0 331.424 -0.033 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CN2CCN1CC2 ZINC000246114980 154179113 /nfs/dbraw/zinc/17/91/13/154179113.db2.gz OFDIFMVDCHEDFG-UONOGXRCSA-N 0 0 344.481 -0.693 10 0 EBAERN C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN2CCCC[C@H]2C1 ZINC000246127961 154181046 /nfs/dbraw/zinc/18/10/46/154181046.db2.gz BVNVVAWMFIUSGZ-NEPJUHHUSA-N 0 0 349.435 -0.593 10 0 EBAERN CCOCCN1CCN(CC(=O)NCC(=O)N2CCCC2)C[C@H]1C ZINC000247127012 154186686 /nfs/dbraw/zinc/18/66/86/154186686.db2.gz KCCGEOKIBGENKR-OAHLLOKOSA-N 0 0 340.468 -0.232 10 0 EBAERN O=C1NC[C@H]2CN(C[C@H](O)c3c(F)cccc3F)CCN2C1=O ZINC000247964592 154190365 /nfs/dbraw/zinc/19/03/65/154190365.db2.gz GQULVPQCCUOYFG-CABZTGNLSA-N 0 0 325.315 -0.359 10 0 EBAERN Cn1ccnc1[C@@H]1CNCCN1C(=O)CNC(=O)c1ccccn1 ZINC000261738277 154200440 /nfs/dbraw/zinc/20/04/40/154200440.db2.gz NQRGMIZFEQBVII-ZDUSSCGKSA-N 0 0 328.376 -0.282 10 0 EBAERN Cc1cc(N2CCC[C@@H](NC(=O)N3CCNC(=O)[C@H]3C)C2=O)n(C)n1 ZINC000266853796 154355841 /nfs/dbraw/zinc/35/58/41/154355841.db2.gz ZWLMMNVCFPFQJV-VXGBXAGGSA-N 0 0 348.407 -0.246 10 0 EBAERN Cn1ccnc(N2CCC[C@@H](NC(=O)N3CCC[C@H]3CO)C2)c1=O ZINC000281581376 154782111 /nfs/dbraw/zinc/78/21/11/154782111.db2.gz QQYTUWLLOHAOLD-OLZOCXBDSA-N 0 0 335.408 -0.085 10 0 EBAERN CO[C@@H]1C[C@@H](CO)N(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000345480660 156336012 /nfs/dbraw/zinc/33/60/12/156336012.db2.gz XFZHIMXRKHLPPL-WDEREUQCSA-N 0 0 325.365 -0.541 10 0 EBAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000355505264 157006484 /nfs/dbraw/zinc/00/64/84/157006484.db2.gz GIVWEJWFHKPGTI-WDEREUQCSA-N 0 0 329.378 -0.610 10 0 EBAERN Cc1c(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)cccc1S(N)(=O)=O ZINC000356890381 157098384 /nfs/dbraw/zinc/09/83/84/157098384.db2.gz BZVILIOJEACBEE-CHWSQXEVSA-N 0 0 339.417 -0.203 10 0 EBAERN CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H](O)CN2C(C)=O)C1 ZINC000357603876 157161587 /nfs/dbraw/zinc/16/15/87/157161587.db2.gz WWUCKJBUOIFEDV-HZSPNIEDSA-N 0 0 325.409 -0.267 10 0 EBAERN C[C@H](O)CN1CCN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)[C@@H](C)C1 ZINC000408017408 157704351 /nfs/dbraw/zinc/70/43/51/157704351.db2.gz MMEQZEVVCJKBLX-RWMBFGLXSA-N 0 0 333.454 -0.388 10 0 EBAERN C[C@H]1CN(c2ccc(S(C)(=O)=O)cn2)CCN1S(C)(=O)=O ZINC000408103479 157710846 /nfs/dbraw/zinc/71/08/46/157710846.db2.gz AZQUYYWAKLKJBG-JTQLQIEISA-N 0 0 333.435 -0.045 10 0 EBAERN CCN(CC)S(=O)(=O)CCNS(=O)(=O)N1CC[C@H](C)C1 ZINC000408135985 157712305 /nfs/dbraw/zinc/71/23/05/157712305.db2.gz AICFVXPDKBOIDQ-NSHDSACASA-N 0 0 327.472 -0.166 10 0 EBAERN CC(=O)N1CCN(c2cccc(NC(=O)N3C[C@@H](O)[C@H](O)C3)c2)CC1 ZINC000408398251 157724960 /nfs/dbraw/zinc/72/49/60/157724960.db2.gz XTLUVXXEVMAHDT-HZPDHXFCSA-N 0 0 348.403 -0.076 10 0 EBAERN CC[C@@H]1C[C@@H](C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC(=O)N1 ZINC000408191362 287265538 /nfs/dbraw/zinc/26/55/38/287265538.db2.gz FMOVCRZATSDDFA-QJPTWQEYSA-N 0 0 331.438 -0.217 10 0 EBAERN O=C(C1CCN(c2ncccn2)CC1)N1CCN2CCNC(=O)[C@H]2C1 ZINC000065397695 419009066 /nfs/dbraw/zinc/00/90/66/419009066.db2.gz VYNSAMVGAGVJPW-CQSZACIVSA-N 0 0 344.419 -0.664 10 0 EBAERN Cc1c(N2CCN(C(=O)c3cccnc3)CC2)c(=O)n(C)c(=O)n1C ZINC000015729915 419094566 /nfs/dbraw/zinc/09/45/66/419094566.db2.gz SWDBRNVMZOCTGZ-UHFFFAOYSA-N 0 0 343.387 -0.250 10 0 EBAERN C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@H]1N1CCOCC1 ZINC000408234122 419056634 /nfs/dbraw/zinc/05/66/34/419056634.db2.gz ZNHAFAYZCWVZBW-WDEREUQCSA-N 0 0 343.405 -0.280 10 0 EBAERN C[C@H](C(=O)NCC1CCN(S(C)(=O)=O)CC1)N1CCOCC1 ZINC000407984496 419129637 /nfs/dbraw/zinc/12/96/37/419129637.db2.gz YMGBYFCMRSGLJR-GFCCVEGCSA-N 0 0 333.454 -0.505 10 0 EBAERN Cc1cccn(CC(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)c1=O ZINC000583620995 419149477 /nfs/dbraw/zinc/14/94/77/419149477.db2.gz FBWHNMMTYAAUPY-MLGOLLRUSA-N 0 0 343.387 -0.022 10 0 EBAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@H](S(C)(=O)=O)C1)CC2 ZINC000407972052 419127593 /nfs/dbraw/zinc/12/75/93/419127593.db2.gz RVAPTGPYXWOMOD-QWRGUYRKSA-N 0 0 341.437 -0.016 10 0 EBAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@@H](S(C)(=O)=O)C1)CC2 ZINC000407972055 419128358 /nfs/dbraw/zinc/12/83/58/419128358.db2.gz RVAPTGPYXWOMOD-WDEREUQCSA-N 0 0 341.437 -0.016 10 0 EBAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N[C@H](C)C2)C1 ZINC000408204472 419240382 /nfs/dbraw/zinc/24/03/82/419240382.db2.gz UWUUWMCCWMOXBB-GRYCIOLGSA-N 0 0 331.438 -0.170 10 0 EBAERN Cn1cc(S(=O)(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cc1C(N)=O ZINC000284091614 419332742 /nfs/dbraw/zinc/33/27/42/419332742.db2.gz ARZZXZXOJGXKQY-OLZOCXBDSA-N 0 0 342.421 -0.782 10 0 EBAERN NC(=O)[C@H]1CCCN(C(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)C1 ZINC000163024954 419453335 /nfs/dbraw/zinc/45/33/35/419453335.db2.gz NZDKJEIGODJVDM-GJZGRUSLSA-N 0 0 344.415 -0.378 10 0 EBAERN Cc1cc(N2CCO[C@@H](CNc3nccn(C)c3=O)C2)nnc1C ZINC000328625603 421223524 /nfs/dbraw/zinc/22/35/24/421223524.db2.gz DIBDWHUTVMFMAG-ZDUSSCGKSA-N 0 0 330.392 0.504 10 0 EBAERN CCN1C(=O)CC[C@H](C(=O)N(C)CC(=O)NC)[C@H]1c1ccnn1C ZINC000665447162 421224505 /nfs/dbraw/zinc/22/45/05/421224505.db2.gz XSQLBAZAPSEMAH-NHYWBVRUSA-N 0 0 335.408 -0.076 10 0 EBAERN Cn1nc(C(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)ccc1=O ZINC000408242540 264690088 /nfs/dbraw/zinc/69/00/88/264690088.db2.gz VPMGOVDSQUBNJU-UWVGGRQHSA-N 0 0 328.394 -0.630 10 0 EBAERN COc1cnc(NC(=O)N2CCC[C@H](N3CCNCC3=O)C2)nc1 ZINC000333337453 274165821 /nfs/dbraw/zinc/16/58/21/274165821.db2.gz PEUMENOFOHZBFO-NSHDSACASA-N 0 0 334.380 -0.087 10 0 EBAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCN(c3nccn3C)CC2)C1 ZINC000284735553 275765671 /nfs/dbraw/zinc/76/56/71/275765671.db2.gz AUXVARZONAKFMP-MRXNPFEDSA-N 0 0 335.408 -0.558 10 0 EBAERN CNC(=O)c1cc(S(=O)(=O)N2CC[S@](=O)CC[C@@H]2C)cn1C ZINC000408389364 277015456 /nfs/dbraw/zinc/01/54/56/277015456.db2.gz JEZUSVOYAOSPPC-CHNSCGDPSA-N 0 0 347.462 -0.084 10 0 EBAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)C1 ZINC000408051818 278032137 /nfs/dbraw/zinc/03/21/37/278032137.db2.gz REAAVVUVOKGSPJ-HEHGZKQESA-N 0 0 327.425 -0.415 10 0 EBAERN CC(=O)N[C@@H]1[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@H](F)[C@H]1OC(C)=O ZINC000255963232 278151908 /nfs/dbraw/zinc/15/19/08/278151908.db2.gz AUCRVLBGFFSCPW-MBJXGIAVSA-N 0 0 349.311 -0.388 10 0 EBAERN CC(=O)OC[C@]1(O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253492908 278220244 /nfs/dbraw/zinc/22/02/44/278220244.db2.gz RNYYDTIQDTUDOI-DGAVXFQQSA-N 0 0 348.304 -0.937 10 0 EBAERN O=C1[C@H](N2CCN3C(=O)C(=O)NC[C@H]3C2)CCN1c1ccccc1 ZINC000248216288 280323768 /nfs/dbraw/zinc/32/37/68/280323768.db2.gz ZRSJYYHUOOYJNH-UONOGXRCSA-N 0 0 328.372 -0.566 10 0 EBAERN CNC(=O)C1CN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)C1 ZINC000408268451 290359938 /nfs/dbraw/zinc/35/99/38/290359938.db2.gz NFMWGOJZPZNRIK-JSGCOSHPSA-N 0 0 333.392 -0.466 10 0 EBAERN COC[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC(C)(C)O1 ZINC000408059592 292903938 /nfs/dbraw/zinc/90/39/38/292903938.db2.gz QZMYKPGYMOWYDI-JTQLQIEISA-N 0 0 327.381 -0.031 10 0 EBAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(S(=O)(=O)c2ccnn2C)C1 ZINC000285106785 294590237 /nfs/dbraw/zinc/59/02/37/294590237.db2.gz QKEFAZNXHBBCJF-RYUDHWBXSA-N 0 0 342.421 -0.180 10 0 EBAERN NC(=O)[C@H]1CCCN(C(=O)CN2C(=O)C[C@]3(CCSC3)C2=O)C1 ZINC000408279501 295149464 /nfs/dbraw/zinc/14/94/64/295149464.db2.gz AHHWYKWAJCBWEY-BONVTDFDSA-N 0 0 339.417 -0.408 10 0 EBAERN O=C(C1CCN(c2ncccn2)CC1)N1CCN2CCNC(=O)[C@@H]2C1 ZINC000065397694 295449791 /nfs/dbraw/zinc/44/97/91/295449791.db2.gz VYNSAMVGAGVJPW-AWEZNQCLSA-N 0 0 344.419 -0.664 10 0 EBAERN O=C(CN1CCS(=O)(=O)CC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000408350489 295509994 /nfs/dbraw/zinc/50/99/94/295509994.db2.gz RGNZNBLYAWOWFM-UKRRQHHQSA-N 0 0 330.450 -0.130 10 0 EBAERN Cc1noc([C@H]2COCCN2S(=O)(=O)[C@H](C)C(=O)N(C)C)n1 ZINC000408029593 302856617 /nfs/dbraw/zinc/85/66/17/302856617.db2.gz UQCISNDVPNASDO-PSASIEDQSA-N 0 0 332.382 -0.442 10 0 EBAERN CC[C@H](C)NC(=O)CN1CCN(C[C@H](O)CN2CCCC2=O)CC1 ZINC000111682468 523971899 /nfs/dbraw/zinc/97/18/99/523971899.db2.gz FZJBMYGSZNPVMZ-GJZGRUSLSA-N 0 0 340.468 -0.498 10 0 EBAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cc(-n2cccn2)ccn1 ZINC000128156245 526485100 /nfs/dbraw/zinc/48/51/00/526485100.db2.gz MVOKBVVHVVTNBE-CQSZACIVSA-N 0 0 331.376 -0.310 10 0 EBAERN O=C(CN1CCN(C[C@@H](O)c2ccccc2)CC1)N1CCNC(=O)C1 ZINC000105820423 526772351 /nfs/dbraw/zinc/77/23/51/526772351.db2.gz ATDGSKKEAODDNF-MRXNPFEDSA-N 0 0 346.431 -0.704 10 0 EBAERN C[C@H](O)CN1CCN(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)[C@H](C)C1 ZINC000408397309 545831964 /nfs/dbraw/zinc/83/19/64/545831964.db2.gz XRBVQHCIOVVFLM-MQYQWHSLSA-N 0 0 335.470 -0.273 10 0 EBAERN CC[C@H]1C[C@H](C(=O)N2CCN(c3nc(N)ns3)CC2)CC(=O)N1 ZINC000408205122 546039595 /nfs/dbraw/zinc/03/95/95/546039595.db2.gz XJODORCWHOBBBO-UWVGGRQHSA-N 0 0 338.437 0.074 10 0 EBAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)CN3CCNC(=O)C3)C2)n1 ZINC000900739872 582780788 /nfs/dbraw/zinc/78/07/88/582780788.db2.gz SXFQQEGGFUDNKW-AWEZNQCLSA-N 0 0 334.424 -0.435 10 0 EBAERN Cc1cc(N2CCC[C@H](NC(=O)[C@@]3(C)C[C@H](O)CN3C)C2=O)n(C)n1 ZINC000900895240 582785184 /nfs/dbraw/zinc/78/51/84/582785184.db2.gz NGWBRCHPGSGAHT-GDZNZVCISA-N 0 0 349.435 -0.205 10 0 EBAERN Cc1cnn(C[C@@H]2CN(Cn3nnc4c(cnn4C)c3=O)CCO2)c1 ZINC000132601056 584606376 /nfs/dbraw/zinc/60/63/76/584606376.db2.gz HBECPWWLYHMBGN-LBPRGKRZSA-N 0 0 344.379 -0.612 10 0 EBAERN NC(=O)[C@]1(N2CCN(C(=O)C3(O)CCCCC3)CC2)CCOC1 ZINC000886077566 584655757 /nfs/dbraw/zinc/65/57/57/584655757.db2.gz JUJVQAJXRMPFJU-HNNXBMFYSA-N 0 0 325.409 -0.530 10 0 EBAERN NC(=O)CNC(=O)C[C@H]1C(=O)NCCN1C/C=C\c1ccccc1 ZINC000096797712 649973673 /nfs/dbraw/zinc/97/36/73/649973673.db2.gz RMVZWTCFISVSJL-ZBKLQPJUSA-N 0 0 330.388 -0.508 10 0 EBAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccc(-n2ccnc2)nc1 ZINC000128988374 649975085 /nfs/dbraw/zinc/97/50/85/649975085.db2.gz NCZWLBBVLQQHHM-AWEZNQCLSA-N 0 0 331.376 -0.310 10 0 EBAERN CCOC(=O)N1CCN(C(=O)C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000170332643 649979082 /nfs/dbraw/zinc/97/90/82/649979082.db2.gz FAGQWVDCCMHGRH-RYUDHWBXSA-N 0 0 327.381 -0.077 10 0 EBAERN Cc1nc(CC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c(C)c(=O)[nH]1 ZINC000222936853 649983314 /nfs/dbraw/zinc/98/33/14/649983314.db2.gz PLIOELHHIMGHAV-AWEZNQCLSA-N 0 0 348.403 -0.221 10 0 EBAERN Cn1cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)nn1 ZINC000702802804 650035662 /nfs/dbraw/zinc/03/56/62/650035662.db2.gz AMMAEIXGKBKGGR-ONGXEEELSA-N 0 0 325.369 -0.227 10 0 EBAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)[C@@H]2COCCO2)C1 ZINC000702811453 650035676 /nfs/dbraw/zinc/03/56/76/650035676.db2.gz YBOSTIAJHMBSGK-SRVKXCTJSA-N 0 0 330.381 -0.254 10 0 EBAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC000702806449 650035799 /nfs/dbraw/zinc/03/57/99/650035799.db2.gz MAYNVXYGZKOWLM-VHSXEESVSA-N 0 0 326.357 -0.983 10 0 EBAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC000702811658 650035876 /nfs/dbraw/zinc/03/58/76/650035876.db2.gz GJKMBUQKZKUEAT-TUAOUCFPSA-N 0 0 341.408 -0.143 10 0 EBAERN C[C@H](NC(N)=O)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702811709 650035896 /nfs/dbraw/zinc/03/58/96/650035896.db2.gz ZZYZBDMHPIYPMT-LPEHRKFASA-N 0 0 330.385 -0.613 10 0 EBAERN 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CCCCn1nccc1NC(=O)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000178966361 154123055 /nfs/dbraw/zinc/12/30/55/154123055.db2.gz WHULHIWNRQXRIW-CYBMUJFWSA-N 0 0 334.424 -0.262 10 0 EBAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCNC(=O)c1ccn[nH]1)CC2 ZINC000181582103 154129704 /nfs/dbraw/zinc/12/97/04/154129704.db2.gz WPSJITOXFZMOQK-SNVBAGLBSA-N 0 0 346.395 -0.392 10 0 EBAERN Cn1cc([C@@H]2CNCCN2C(=O)CNC(=O)c2ccccn2)cn1 ZINC000181331821 154130485 /nfs/dbraw/zinc/13/04/85/154130485.db2.gz PTNVUQCTDKEVGU-AWEZNQCLSA-N 0 0 328.376 -0.282 10 0 EBAERN Cn1c2[nH]c(CN3CCCC[C@H]3c3nc[nH]n3)nc2c(=O)n(C)c1=O ZINC000182749745 154135634 /nfs/dbraw/zinc/13/56/34/154135634.db2.gz PYQQPDAHBKLOTH-VIFPVBQESA-N 0 0 344.379 -0.194 10 0 EBAERN Cc1nccc(N2CCN(CC(=O)N3CCC[C@@H](C(N)=O)C3)CC2)n1 ZINC000183780451 154136590 /nfs/dbraw/zinc/13/65/90/154136590.db2.gz CZTLALBRRPEPPL-CQSZACIVSA-N 0 0 346.435 -0.369 10 0 EBAERN O=C(CSc1nnc2ccccn21)NC[C@@H]1CN2CCN1CC2 ZINC000184083582 154137847 /nfs/dbraw/zinc/13/78/47/154137847.db2.gz YJBGGSLOBARKCD-GFCCVEGCSA-N 0 0 332.433 -0.063 10 0 EBAERN COCC(=O)NC1CN(C(=O)c2cn(Cc3cccs3)nn2)C1 ZINC000185303973 154141362 /nfs/dbraw/zinc/14/13/62/154141362.db2.gz SJVVZEIKXTWFJP-UHFFFAOYSA-N 0 0 335.389 -0.025 10 0 EBAERN O=C(CN1C[C@H](O)C[C@@H]1CO)N1CCN(c2ccc(F)cc2)CC1 ZINC000185148799 154141585 /nfs/dbraw/zinc/14/15/85/154141585.db2.gz SXXYQQMPFBIWLW-HZPDHXFCSA-N 0 0 337.395 -0.098 10 0 EBAERN Cn1c(=O)ccn(CC(=O)N2CCCN(c3ccccn3)CC2)c1=O ZINC000186390123 154144648 /nfs/dbraw/zinc/14/46/48/154144648.db2.gz MHYVFBMAESWMQP-UHFFFAOYSA-N 0 0 343.387 -0.319 10 0 EBAERN CN1CCCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1=O ZINC000189767116 154153957 /nfs/dbraw/zinc/15/39/57/154153957.db2.gz KYWIKTMOMJGKGE-UHFFFAOYSA-N 0 0 330.344 -0.620 10 0 EBAERN C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCCN(C)C(=O)C1 ZINC000191104644 154156223 /nfs/dbraw/zinc/15/62/23/154156223.db2.gz KMCHAJQYUBSRLY-CQSZACIVSA-N 0 0 346.435 -0.322 10 0 EBAERN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000192057819 154156676 /nfs/dbraw/zinc/15/66/76/154156676.db2.gz ZSIBOURIPHELAM-GXTWGEPZSA-N 0 0 346.435 -0.091 10 0 EBAERN C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@H]2COCCN2)CC1 ZINC000237776464 154173966 /nfs/dbraw/zinc/17/39/66/154173966.db2.gz DPHQFTUOOMNEFP-LSDHHAIUSA-N 0 0 338.452 -0.480 10 0 EBAERN CN1CCO[C@H](CNC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000246706173 154184393 /nfs/dbraw/zinc/18/43/93/154184393.db2.gz ZDBIZTPEGBYIBU-ZJUUUORDSA-N 0 0 338.330 -0.221 10 0 EBAERN CS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000246516864 154184737 /nfs/dbraw/zinc/18/47/37/154184737.db2.gz DOCFSRKBZLGZDC-MNOVXSKESA-N 0 0 327.410 -0.619 10 0 EBAERN CN(C)C(=O)[C@@H]1CCCN1C(=O)Cn1nc2n(c1=O)CCCCC2 ZINC000247966041 154189627 /nfs/dbraw/zinc/18/96/27/154189627.db2.gz GMYWCYIAHSDTOM-LBPRGKRZSA-N 0 0 335.408 -0.150 10 0 EBAERN CCn1cc([C@@H]2CN(CC(=O)N[C@H](C)C(=O)N(C)C)CCO2)cn1 ZINC000248828678 154192321 /nfs/dbraw/zinc/19/23/21/154192321.db2.gz XYOKUUKQUUJUOA-OCCSQVGLSA-N 0 0 337.424 -0.131 10 0 EBAERN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000252321434 154194035 /nfs/dbraw/zinc/19/40/35/154194035.db2.gz AOMIVJHQXDBOCK-MELADBBJSA-N 0 0 340.468 -0.501 10 0 EBAERN CS(=O)(=O)CCN1CCN(C(=O)[C@H]2CC(F)(F)CN2)CC1 ZINC000263267976 154256717 /nfs/dbraw/zinc/25/67/17/154256717.db2.gz RVONYYMJXFWRKE-SNVBAGLBSA-N 0 0 325.381 -0.828 10 0 EBAERN Cc1cc(N2CCC[C@H](NC(=O)N3CCNC(=O)[C@H]3C)C2=O)n(C)n1 ZINC000266853790 154355743 /nfs/dbraw/zinc/35/57/43/154355743.db2.gz ZWLMMNVCFPFQJV-NEPJUHHUSA-N 0 0 348.407 -0.246 10 0 EBAERN Cn1ccc(N2CCC[C@@H](NC(=O)N3CCO[C@H](CO)C3)C2=O)n1 ZINC000267686940 154387777 /nfs/dbraw/zinc/38/77/77/154387777.db2.gz QPIJFDHYFODOKI-NWDGAFQWSA-N 0 0 337.380 -0.682 10 0 EBAERN Cc1cc(N2CCC[C@H](NC(=O)N[C@H]3CC(=O)N(C)C3)C2=O)n(C)n1 ZINC000267758420 154389519 /nfs/dbraw/zinc/38/95/19/154389519.db2.gz WKWGOJBCQZPTSM-RYUDHWBXSA-N 0 0 348.407 -0.246 10 0 EBAERN CO[C@@H]1C[C@H](CO)N(C(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)C1 ZINC000345478028 156336462 /nfs/dbraw/zinc/33/64/62/156336462.db2.gz SMRYQXYBONLZOF-QJPTWQEYSA-N 0 0 339.392 -0.152 10 0 EBAERN CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CSC[C@@H]1C(=O)NCC(C)C ZINC000357597809 157158434 /nfs/dbraw/zinc/15/84/34/157158434.db2.gz KDQMRURUNOXPQS-FRRDWIJNSA-N 0 0 343.449 -0.358 10 0 EBAERN CC(C)NS(=O)(=O)N1CCN(c2nccn(C3CC3)c2=O)CC1 ZINC000408001586 157702703 /nfs/dbraw/zinc/70/27/03/157702703.db2.gz GQSLZIXRGHNDJG-UHFFFAOYSA-N 0 0 341.437 -0.057 10 0 EBAERN CC(C)CN(C)S(=O)(=O)N1CCC[C@](O)(Cn2ccnn2)C1 ZINC000408029147 157705744 /nfs/dbraw/zinc/70/57/44/157705744.db2.gz RSMZNDSHIRLDJS-ZDUSSCGKSA-N 0 0 331.442 -0.062 10 0 EBAERN Cn1cccc(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)c1=O ZINC000408054597 157708141 /nfs/dbraw/zinc/70/81/41/157708141.db2.gz SVYURWCMAPHJOJ-YPMHNXCESA-N 0 0 337.351 -0.203 10 0 EBAERN CC[C@@H](NC(=O)[C@@]1(O)CCCN(C(C)=O)C1)C(=O)N1CCOCC1 ZINC000408054421 157708538 /nfs/dbraw/zinc/70/85/38/157708538.db2.gz RYMCTMQJBQNFBS-CZUORRHYSA-N 0 0 341.408 -0.887 10 0 EBAERN CC(C)N1C(=O)N[C@@H]2CN(C(=O)[C@H](C)NS(C)(=O)=O)CC[C@@H]21 ZINC000408053834 157708579 /nfs/dbraw/zinc/70/85/79/157708579.db2.gz ZZJAWVCIADMIDM-AXFHLTTASA-N 0 0 332.426 -0.673 10 0 EBAERN C[C@H]1CN(C(=O)c2ccc(C(N)=O)nc2)CCN1S(C)(=O)=O ZINC000408119062 157711727 /nfs/dbraw/zinc/71/17/27/157711727.db2.gz BRFROUSSVMHUTN-VIFPVBQESA-N 0 0 326.378 -0.714 10 0 EBAERN COC(=O)[C@H]1O[C@@H](OC)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000022063851 418958831 /nfs/dbraw/zinc/95/88/31/418958831.db2.gz WQZLHCDEZYULJJ-ZXPJVPCYSA-N 0 0 348.304 -0.674 10 0 in-vitro EBAERN CC(=O)N1CCN(C(=O)CN2CCCC[C@@H]2c2nc(=O)[nH][nH]2)CC1 ZINC000289382862 418980827 /nfs/dbraw/zinc/98/08/27/418980827.db2.gz QEPSHEXNGDMPOJ-GFCCVEGCSA-N 0 0 336.396 -0.684 10 0 EBAERN CN(C)S(=O)(=O)c1cc(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)co1 ZINC000407996074 419132468 /nfs/dbraw/zinc/13/24/68/419132468.db2.gz BJVBGOVLIZAAIE-RYUDHWBXSA-N 0 0 343.405 -0.315 10 0 EBAERN O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCO[C@@H](CO)C1 ZINC000408003436 419133052 /nfs/dbraw/zinc/13/30/52/419133052.db2.gz RWMHGHNDYNMLCJ-LLVKDONJSA-N 0 0 325.365 -0.539 10 0 EBAERN Cc1cc(N2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)n2ncnc2n1 ZINC000407979351 419128324 /nfs/dbraw/zinc/12/83/24/419128324.db2.gz XHCKKVQEKVINTI-NSHDSACASA-N 0 0 329.364 -0.783 10 0 EBAERN CCS(=O)(=O)NCCCNS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000408237001 419244664 /nfs/dbraw/zinc/24/46/64/419244664.db2.gz RFDKFHADXXYWGD-WDEREUQCSA-N 0 0 343.471 -0.741 10 0 EBAERN CNC(=O)c1cc(S(=O)(=O)N2CC[S@@](=O)CC[C@H]2C)cn1C ZINC000408389367 419253803 /nfs/dbraw/zinc/25/38/03/419253803.db2.gz JEZUSVOYAOSPPC-UZJPJQLHSA-N 0 0 347.462 -0.084 10 0 EBAERN CCNC(=O)N1CCN(CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000408095887 419205739 /nfs/dbraw/zinc/20/57/39/419205739.db2.gz RSOTZYLQHLXFOO-GFCCVEGCSA-N 0 0 325.413 -0.943 10 0 EBAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C2(S(C)(=O)=O)CC2)C1 ZINC000408205947 419241077 /nfs/dbraw/zinc/24/10/77/419241077.db2.gz SCIXUIXMSIJRGU-JTQLQIEISA-N 0 0 338.451 -0.508 10 0 EBAERN Cn1c2ccc(S(=O)(=O)N3C[C@@H](F)C[C@H]3CO)cc2n(C)c1=O ZINC000372424329 420739320 /nfs/dbraw/zinc/73/93/20/420739320.db2.gz CWHKHXJVQNHWLW-UWVGGRQHSA-N 0 0 343.380 -0.030 10 0 EBAERN O=C(Cc1c[nH]c2ccccc12)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000065743058 420906953 /nfs/dbraw/zinc/90/69/53/420906953.db2.gz HHDMMUWDSFASNB-RBRCJPGISA-N 0 0 337.328 -0.947 10 0 in-vitro EBAERN O=C(Cc1c[nH]c2ccccc12)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000065743060 420907024 /nfs/dbraw/zinc/90/70/24/420907024.db2.gz HHDMMUWDSFASNB-DPZJBDQQSA-N 0 0 337.328 -0.947 10 0 in-vitro EBAERN Cc1cc(=O)oc2cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]3O)ccc12 ZINC000065747717 420907097 /nfs/dbraw/zinc/90/70/97/420907097.db2.gz YUDPTGPSBJVHCN-YDMUCJKGSA-N 0 0 338.312 -0.720 10 0 in-vitro EBAERN Cn1ncc(CN2CCN(S(N)(=O)=O)CC2)c1C(F)(F)F ZINC000132642252 421086376 /nfs/dbraw/zinc/08/63/76/421086376.db2.gz AVYSVKHTADIPPT-UHFFFAOYSA-N 0 0 327.332 -0.240 10 0 EBAERN O=C1[C@@H](Nc2nccn3cnnc23)CCCN1CCN1CCOCC1 ZINC000360438789 421300329 /nfs/dbraw/zinc/30/03/29/421300329.db2.gz ZSTCMEXKUHQPDO-ZDUSSCGKSA-N 0 0 345.407 -0.141 10 0 EBAERN COC(=O)c1cc(S(=O)(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)cn1C ZINC000471900730 265489257 /nfs/dbraw/zinc/48/92/57/265489257.db2.gz QWJFMLGTYOENTO-CHWSQXEVSA-N 0 0 343.405 -0.485 10 0 EBAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCN(C)[C@@H](c3nccn3C)C2)C1 ZINC000329084447 278017938 /nfs/dbraw/zinc/01/79/38/278017938.db2.gz SYHPKRHPOYRBCD-PBHICJAKSA-N 0 0 349.435 -0.391 10 0 EBAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CSC[C@H]1C(=O)N1CCCC1 ZINC000333005381 278068774 /nfs/dbraw/zinc/06/87/74/278068774.db2.gz DTRSULAHTMPOJR-XQQFMLRXSA-N 0 0 341.433 -0.508 10 0 EBAERN CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H](CO)O[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000015206793 278221529 /nfs/dbraw/zinc/22/15/29/278221529.db2.gz FEQXFAYSNRWXDW-RYMFRWLXSA-N 0 0 348.304 -0.938 10 0 EBAERN C[C@@H](O)CN1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C[C@@H]1C ZINC000408109921 278396868 /nfs/dbraw/zinc/39/68/68/278396868.db2.gz 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CC(=O)N1CCC[C@@](O)(C(=O)N2CCO[C@@H](c3cnn(C)c3)C2)C1 ZINC000329134974 155208597 /nfs/dbraw/zinc/20/85/97/155208597.db2.gz QIRCHBPMGRENJW-ZBFHGGJFSA-N 0 0 336.392 -0.307 10 0 EBAERN O=C([C@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1)N1CCSCC1 ZINC000329176116 155210327 /nfs/dbraw/zinc/21/03/27/155210327.db2.gz MJUVDBZJUPBHQO-VXGBXAGGSA-N 0 0 346.474 -0.013 10 0 EBAERN CO[C@H]1CN(S(=O)(=O)CC2CCS(=O)(=O)CC2)C[C@@H]1OC ZINC000329241037 155212929 /nfs/dbraw/zinc/21/29/29/155212929.db2.gz RKZKARORBJVPDS-RYUDHWBXSA-N 0 0 341.451 -0.513 10 0 EBAERN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@H]2CCCOC2)CC1 ZINC000329359813 155220132 /nfs/dbraw/zinc/22/01/32/155220132.db2.gz HXENMWIVMLOQJB-GJZGRUSLSA-N 0 0 339.436 -0.196 10 0 EBAERN Cc1cc(C)n(C[C@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)CCO2)n1 ZINC000329380324 155222433 /nfs/dbraw/zinc/22/24/33/155222433.db2.gz PSUFTUKTWQYXSY-CYBMUJFWSA-N 0 0 347.375 -0.310 10 0 EBAERN Cc1nc(S(=O)(=O)NCC(=O)N2CCn3ccnc3C2)cn1C ZINC000329718582 155238255 /nfs/dbraw/zinc/23/82/55/155238255.db2.gz YZUQZONXWOPYCW-UHFFFAOYSA-N 0 0 338.393 -0.754 10 0 EBAERN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC(=O)N(C)C1 ZINC000329811705 155240110 /nfs/dbraw/zinc/24/01/10/155240110.db2.gz CUOYATNKVKCNGM-QMMMGPOBSA-N 0 0 330.366 -0.784 10 0 EBAERN C[C@@H]1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)C[C@H]1O ZINC000329956416 155247961 /nfs/dbraw/zinc/24/79/61/155247961.db2.gz PMVARJAODDDOJR-WAZAZEMKSA-N 0 0 336.392 -0.452 10 0 EBAERN COCCC(=O)N1CCN(S(=O)(=O)Cc2cc(C)no2)CC1 ZINC000329993594 155251260 /nfs/dbraw/zinc/25/12/60/155251260.db2.gz LOQCOKZCULJLQX-UHFFFAOYSA-N 0 0 331.394 -0.006 10 0 EBAERN Cn1nncc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000330070387 155253188 /nfs/dbraw/zinc/25/31/88/155253188.db2.gz IAPJPDQKUGFCOA-ZYHUDNBSSA-N 0 0 339.421 -0.021 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000329978829 155250590 /nfs/dbraw/zinc/25/05/90/155250590.db2.gz IHNZLNXLLUAEIZ-MGPQQGTHSA-N 0 0 345.465 -0.268 10 0 EBAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC000330153385 155256880 /nfs/dbraw/zinc/25/68/80/155256880.db2.gz MSBIVCAVHRYUAI-NWDGAFQWSA-N 0 0 337.380 -0.560 10 0 EBAERN Cc1c([C@@H]2[C@@H](C(=O)N(C)Cc3nnnn3C)CC(=O)N2C)cnn1C ZINC000330342996 155263094 /nfs/dbraw/zinc/26/30/94/155263094.db2.gz BLWRGBBWMLSSMS-HZMBPMFUSA-N 0 0 346.395 -0.570 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000330276660 155260770 /nfs/dbraw/zinc/26/07/70/155260770.db2.gz NFKOBWKGPAFPRF-VXGBXAGGSA-N 0 0 344.437 -0.369 10 0 EBAERN Cc1c([C@H]2[C@H](C(=O)N3CC(n4ccnn4)C3)CC(=O)N2C)cnn1C ZINC000330355233 155264772 /nfs/dbraw/zinc/26/47/72/155264772.db2.gz QKAWOWQKJCBYRA-IUODEOHRSA-N 0 0 343.391 -0.077 10 0 EBAERN Cc1noc([C@@H]2COCCN2C(=O)Cn2nc3ccccn3c2=O)n1 ZINC000155492006 154092020 /nfs/dbraw/zinc/09/20/20/154092020.db2.gz JMBYOOVTUFKHLY-NSHDSACASA-N 0 0 344.331 -0.212 10 0 EBAERN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NC[C@@H]1CN(C)CCO1 ZINC000170904740 154093241 /nfs/dbraw/zinc/09/32/41/154093241.db2.gz FOJQPBKUPDSBFT-GFCCVEGCSA-N 0 0 333.392 -0.371 10 0 EBAERN CCn1c(C)nnc1CN(CCN1CCOCC1)CC(=O)OC ZINC000171938613 154096882 /nfs/dbraw/zinc/09/68/82/154096882.db2.gz JHRUXCJUNCZEIQ-UHFFFAOYSA-N 0 0 325.413 -0.086 10 0 EBAERN Cc1cc(N2CCC[C@H](NC(=O)[C@H]3CC(=O)N(C)C3)C2=O)n(C)n1 ZINC000173067188 154098818 /nfs/dbraw/zinc/09/88/18/154098818.db2.gz NTFAGINQYOXGJB-RYUDHWBXSA-N 0 0 333.392 -0.182 10 0 EBAERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[C@H](N2CCOCC2)C1 ZINC000173926246 154103610 /nfs/dbraw/zinc/10/36/10/154103610.db2.gz MYQBAKMHBQSGFP-ZFWWWQNUSA-N 0 0 338.452 -0.482 10 0 EBAERN CCc1nc2n(n1)C[C@@H](NC(=O)CS(=O)(=O)N(CC)CC)CC2 ZINC000174875124 154106043 /nfs/dbraw/zinc/10/60/43/154106043.db2.gz MYBKTRJKOFQHCX-NSHDSACASA-N 0 0 343.453 -0.057 10 0 EBAERN Cc1cc(N2CCC[C@H](NC(=O)C(=O)c3cnn(C)c3)C2=O)n(C)n1 ZINC000174998785 154106920 /nfs/dbraw/zinc/10/69/20/154106920.db2.gz VDZWPVTZFYPPNS-LBPRGKRZSA-N 0 0 344.375 -0.043 10 0 EBAERN CCN1CCN(CC(=O)N2CCC[C@@H]2Cn2ccnc2)C(=O)C1=O ZINC000177782621 154116102 /nfs/dbraw/zinc/11/61/02/154116102.db2.gz DOLZOCMFUQQTPM-CYBMUJFWSA-N 0 0 333.392 -0.435 10 0 EBAERN CC(C)Cn1c(N)c(C(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)c(=O)[nH]c1=O ZINC000178636086 154118019 /nfs/dbraw/zinc/11/80/19/154118019.db2.gz YWCYUXDIQQTNOQ-GFCCVEGCSA-N 0 0 349.435 -0.263 10 0 EBAERN NC(=O)COc1ccc(/C=C/C(=O)NC[C@H]2CN3CCN2CC3)cc1 ZINC000178974593 154122825 /nfs/dbraw/zinc/12/28/25/154122825.db2.gz KWJHADVXHQCTSL-VFQAQYNWSA-N 0 0 344.415 -0.320 10 0 EBAERN O=S(=O)(CCc1ccccc1)NC[C@@H](O)CN1CCOCC1 ZINC000179008011 154123686 /nfs/dbraw/zinc/12/36/86/154123686.db2.gz UPQNVENJNIUQFD-OAHLLOKOSA-N 0 0 328.434 -0.158 10 0 EBAERN Cc1nnc([C@@H](NC(=O)Cn2ncn(C)c2=O)c2ccccc2)[nH]1 ZINC000179476106 154125594 /nfs/dbraw/zinc/12/55/94/154125594.db2.gz SHPNWFHXHUNVDD-ZDUSSCGKSA-N 0 0 327.348 -0.086 10 0 EBAERN O=C(CSc1nnc2ccccn21)NC[C@H]1CN2CCN1CC2 ZINC000184083600 154136604 /nfs/dbraw/zinc/13/66/04/154136604.db2.gz YJBGGSLOBARKCD-LBPRGKRZSA-N 0 0 332.433 -0.063 10 0 EBAERN Cc1nccc(N2CCN(CC(=O)N3CCC[C@H](C(N)=O)C3)CC2)n1 ZINC000183780433 154138598 /nfs/dbraw/zinc/13/85/98/154138598.db2.gz CZTLALBRRPEPPL-AWEZNQCLSA-N 0 0 346.435 -0.369 10 0 EBAERN CCn1c2nnc(CN3C[C@@H](O)C[C@@H]3CO)n2c2ccccc2c1=O ZINC000184719410 154138733 /nfs/dbraw/zinc/13/87/33/154138733.db2.gz OYYRIQFPINVWJY-NEPJUHHUSA-N 0 0 343.387 -0.008 10 0 EBAERN C[C@@H](O)CN1CCN(C(=O)c2cn(CC3(C)COC3)nn2)C[C@H]1C ZINC000185238842 154139762 /nfs/dbraw/zinc/13/97/62/154139762.db2.gz CZYQSFSYENXZGQ-CHWSQXEVSA-N 0 0 337.424 -0.158 10 0 EBAERN O=C(CN1CCCS1(=O)=O)N1CCC(Cn2cncn2)CC1 ZINC000188214441 154150355 /nfs/dbraw/zinc/15/03/55/154150355.db2.gz NVEHTJCHYFGBMU-UHFFFAOYSA-N 0 0 327.410 -0.448 10 0 EBAERN CNC(=O)[C@@H](NC(=O)CN1CCCN(C)C(=O)C1)c1ccccc1 ZINC000191104917 154156550 /nfs/dbraw/zinc/15/65/50/154156550.db2.gz KNKOOHBGHVBXNW-INIZCTEOSA-N 0 0 332.404 -0.246 10 0 EBAERN C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCCN(C)C(=O)C1 ZINC000191104628 154156966 /nfs/dbraw/zinc/15/69/66/154156966.db2.gz KMCHAJQYUBSRLY-AWEZNQCLSA-N 0 0 346.435 -0.322 10 0 EBAERN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000192057833 154157220 /nfs/dbraw/zinc/15/72/20/154157220.db2.gz ZSIBOURIPHELAM-JSGCOSHPSA-N 0 0 346.435 -0.091 10 0 EBAERN CN1CCCN(CC(=O)N2CCN(c3cnccn3)CC2)CC1=O ZINC000193575588 154161521 /nfs/dbraw/zinc/16/15/21/154161521.db2.gz MCLRPZCIRSZQBE-UHFFFAOYSA-N 0 0 332.408 -0.711 10 0 EBAERN O=C(NCc1ccccn1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000242912905 154177040 /nfs/dbraw/zinc/17/70/40/154177040.db2.gz GUGXBXLMNGLWQC-YPMHNXCESA-N 0 0 337.401 -0.267 10 0 EBAERN CCCNC(=O)CN(C)C(=O)CN1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246359364 154180234 /nfs/dbraw/zinc/18/02/34/154180234.db2.gz GQDPKJOKJCWHST-GJZGRUSLSA-N 0 0 340.468 -0.377 10 0 EBAERN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N[C@@H]1CCc2ncnn2C1 ZINC000246548904 154183822 /nfs/dbraw/zinc/18/38/22/154183822.db2.gz IQQGCFSSOLANMV-IJLUTSLNSA-N 0 0 331.376 -0.116 10 0 EBAERN CCCNC(=O)CN(C)C(=O)CN1CCN(CCOC)[C@@H](C)C1 ZINC000247007428 154186367 /nfs/dbraw/zinc/18/63/67/154186367.db2.gz BWAKRNCAUZRDEF-AWEZNQCLSA-N 0 0 328.457 -0.377 10 0 EBAERN CC[C@@H]1CN(CC(=O)NCC(=O)N2CCCC2)CC[N@@H+]1C[C@H](C)O ZINC000252321482 154194325 /nfs/dbraw/zinc/19/43/25/154194325.db2.gz APHQQZXEHDJMTM-LSDHHAIUSA-N 0 0 340.468 -0.498 10 0 EBAERN Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262218760 154218941 /nfs/dbraw/zinc/21/89/41/154218941.db2.gz JIWDNSLQOCGGHR-ZWNOBZJWSA-N 0 0 327.406 -0.323 10 0 EBAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262303469 154223218 /nfs/dbraw/zinc/22/32/18/154223218.db2.gz PUTDJLAJNVUULS-NHCYSSNCSA-N 0 0 345.396 -0.811 10 0 EBAERN CN(C)CCS(=O)(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263491409 154258759 /nfs/dbraw/zinc/25/87/59/154258759.db2.gz OWTKGOBPTRTOMH-UHFFFAOYSA-N 0 0 333.454 -0.205 10 0 EBAERN CNC(=O)c1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)C2)cc1 ZINC000265635128 154322209 /nfs/dbraw/zinc/32/22/09/154322209.db2.gz GOOXUAFKNOHITL-SNVBAGLBSA-N 0 0 346.430 -0.146 10 0 EBAERN C[C@@H]1COC[C@H](C)N1C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000265789228 154327808 /nfs/dbraw/zinc/32/78/08/154327808.db2.gz JGNQERTYPJBKHX-PHIMTYICSA-N 0 0 349.391 -0.540 10 0 EBAERN Cc1noc([C@@H](C)N2CCN(C(=O)N[C@@H]3CC(=O)N(C)C3)CC2)n1 ZINC000267520771 154378515 /nfs/dbraw/zinc/37/85/15/154378515.db2.gz ULJIZXSSGHIBCA-ZYHUDNBSSA-N 0 0 336.396 -0.003 10 0 EBAERN CN1C[C@@H](NC(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)CC1=O ZINC000275723882 154662411 /nfs/dbraw/zinc/66/24/11/154662411.db2.gz OWMJMLPOADOMGA-NEPJUHHUSA-N 0 0 348.407 -0.721 10 0 EBAERN CN(C)c1nccc([C@@H]2CN(C(=O)N[C@H]3CC(=O)N(C)C3)CCO2)n1 ZINC000276747771 154706734 /nfs/dbraw/zinc/70/67/34/154706734.db2.gz RVIFEMAAKFJUSZ-AAEUAGOBSA-N 0 0 348.407 -0.144 10 0 EBAERN CO[C@@H]1C[C@H](CO)N(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 ZINC000345472602 156337273 /nfs/dbraw/zinc/33/72/73/156337273.db2.gz LIEKCVVSUKCTCV-UEKVPHQBSA-N 0 0 325.365 -0.685 10 0 EBAERN Cn1c(=O)c2cc(C(=O)N3C[C@@H](F)C[C@H]3CO)cnc2n(C)c1=O ZINC000372507546 157629124 /nfs/dbraw/zinc/62/91/24/157629124.db2.gz PXSYMYZIXDZRHZ-UWVGGRQHSA-N 0 0 336.323 -0.823 10 0 EBAERN C[C@@H](C(=O)N1CCN(c2nnnn2C)CC1)N(C)CC(F)(F)F ZINC000373559267 157645464 /nfs/dbraw/zinc/64/54/64/157645464.db2.gz BBRVKWUSYKCCDO-VIFPVBQESA-N 0 0 335.334 -0.259 10 0 EBAERN CCS(=O)(=O)C[C@H](C)NS(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000408001529 157702433 /nfs/dbraw/zinc/70/24/33/157702433.db2.gz BCDILRGRTLUGSC-DCAQKATOSA-N 0 0 328.456 -0.247 10 0 EBAERN O=C(c1csc(S(=O)(=O)N2CCOCC2)c1)N1CC[C@H](O)C1 ZINC000408001981 157702674 /nfs/dbraw/zinc/70/26/74/157702674.db2.gz RSPITTYLYJMEOZ-NSHDSACASA-N 0 0 346.430 -0.024 10 0 EBAERN COCCN1CCN(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC000408015596 292536292 /nfs/dbraw/zinc/53/62/92/292536292.db2.gz CLBPOOKVAPXYJA-STQMWFEESA-N 0 0 333.454 -0.122 10 0 EBAERN C[C@H](O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C[C@@H]1C ZINC000248368719 419074785 /nfs/dbraw/zinc/07/47/85/419074785.db2.gz VMVYDMPNNCPQPS-AVGNSLFASA-N 0 0 335.408 -0.324 10 0 EBAERN CNS(=O)(=O)c1cc(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)co1 ZINC000407998563 419132615 /nfs/dbraw/zinc/13/26/15/419132615.db2.gz QZJDUAFQFOBDQY-QWRGUYRKSA-N 0 0 329.378 -0.657 10 0 EBAERN C[C@H](O)CN1CCN(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC000408017403 419134450 /nfs/dbraw/zinc/13/44/50/419134450.db2.gz MMEQZEVVCJKBLX-AGIUHOORSA-N 0 0 333.454 -0.388 10 0 EBAERN Cc1nc(C)n(C[C@H]2CN(CC(=O)N3CCN(C)CC3)CCO2)n1 ZINC000408087381 419195336 /nfs/dbraw/zinc/19/53/36/419195336.db2.gz DBFDPORKGOCQGU-OAHLLOKOSA-N 0 0 336.440 -0.630 10 0 EBAERN O=C(CN1CCCC[C@@H](O)C1=O)NC1CCN(c2cccnn2)CC1 ZINC000644451915 419161847 /nfs/dbraw/zinc/16/18/47/419161847.db2.gz PVPGCWDZJGPLKA-CQSZACIVSA-N 0 0 347.419 -0.065 10 0 EBAERN COCCN1CCN(C(=O)[C@]2(O)CCCN(C(C)=O)C2)C[C@H]1C ZINC000408051523 419174573 /nfs/dbraw/zinc/17/45/73/419174573.db2.gz PMEKFTPIZNJNEJ-CJNGLKHVSA-N 0 0 327.425 -0.461 10 0 EBAERN C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000408237563 419244229 /nfs/dbraw/zinc/24/42/29/419244229.db2.gz SPJGOAFVHUNFKS-OUAUKWLOSA-N 0 0 328.456 -0.295 10 0 EBAERN CN1CC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1=O ZINC000408241267 419244361 /nfs/dbraw/zinc/24/43/61/419244361.db2.gz INANHCLKCTWXHH-TUAOUCFPSA-N 0 0 331.438 -0.169 10 0 EBAERN COCCN1CCN(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)C[C@@H]1C ZINC000408237699 419244668 /nfs/dbraw/zinc/24/46/68/419244668.db2.gz ROQMMMUGHXEEQI-IHRRRGAJSA-N 0 0 335.470 -0.007 10 0 EBAERN CCS(=O)(=O)N1CCN(S(=O)(=O)NC2CCCC2)CC1 ZINC000408205659 419240887 /nfs/dbraw/zinc/24/08/87/419240887.db2.gz LNHAHWOKNYHDCV-UHFFFAOYSA-N 0 0 325.456 -0.269 10 0 EBAERN CC(C)[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCC(=O)[O-] ZINC000028631360 419572389 /nfs/dbraw/zinc/57/23/89/419572389.db2.gz NWEGIYMHTZXVBP-GXTWGEPZSA-N 0 0 337.376 -0.396 10 0 EBAERN COc1ncccc1CN1CCO[C@@H](CNc2nccn(C)c2=O)C1 ZINC000563353069 420573817 /nfs/dbraw/zinc/57/38/17/420573817.db2.gz GWVGHWFVVSYOQG-AWEZNQCLSA-N 0 0 345.403 0.497 10 0 EBAERN C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](n3cnc(C(N)=O)n3)C2)C1 ZINC000370201974 264675719 /nfs/dbraw/zinc/67/57/19/264675719.db2.gz QWZVZUGYQSNDHE-RYUDHWBXSA-N 0 0 348.407 -0.201 10 0 EBAERN C[C@@H]1CN(CC(=O)N2CCN(C(=O)C3CC3)CC2)CC[S@@]1=O ZINC000408212641 264688568 /nfs/dbraw/zinc/68/85/68/264688568.db2.gz YEFLTRFAOBIIHW-IPQOISQHSA-N 0 0 327.450 -0.480 10 0 EBAERN C[C@@H](O)CN1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)CC1 ZINC000328993612 274268892 /nfs/dbraw/zinc/26/88/92/274268892.db2.gz JCLPNTQVNKRDQY-WWGRRREGSA-N 0 0 349.435 -0.536 10 0 EBAERN CC[C@H]1C[C@H](C(=O)N2CCCN(S(C)(=O)=O)CC2)CC(=O)N1 ZINC000408198061 288345415 /nfs/dbraw/zinc/34/54/15/288345415.db2.gz PCGLGSYNJJLCPS-RYUDHWBXSA-N 0 0 331.438 -0.215 10 0 EBAERN CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262390848 295539547 /nfs/dbraw/zinc/53/95/47/295539547.db2.gz XWPTWHSMPWVVJV-QPUJVOFHSA-N 0 0 331.369 -0.493 10 0 EBAERN NC(=O)[C@@]1(O)CCCN(C(=O)[C@H]2CSCN2C(=O)C2CCC2)C1 ZINC000408056687 303321971 /nfs/dbraw/zinc/32/19/71/303321971.db2.gz KIMGIAXISKBLEY-IAQYHMDHSA-N 0 0 341.433 -0.473 10 0 EBAERN CCCN(C)S(=O)(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000120728121 521503670 /nfs/dbraw/zinc/50/36/70/521503670.db2.gz SLBILCJZCYCPOI-UHFFFAOYSA-N 0 0 339.425 -0.167 10 0 EBAERN C[C@H](C(=O)N(C)CC(=O)N[C@H]1CCc2ncnn2C1)n1cccn1 ZINC000112659398 525930848 /nfs/dbraw/zinc/93/08/48/525930848.db2.gz JIKLOMRWEYYLFW-NEPJUHHUSA-N 0 0 331.380 -0.375 10 0 EBAERN C[C@@H](CNC(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O)N1CCOCC1 ZINC000332841210 545846785 /nfs/dbraw/zinc/84/67/85/545846785.db2.gz KGVFSLGQBIRQIO-NHYWBVRUSA-N 0 0 339.396 -0.957 10 0 EBAERN CN(C)c1cnc(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)cn1 ZINC000888093735 582605073 /nfs/dbraw/zinc/60/50/73/582605073.db2.gz QHOALKLPYRIPDR-QWHCGFSZSA-N 0 0 332.364 -0.148 10 0 EBAERN CCc1cc(N2CC(N3C[C@H](C(=O)NC)CC3=O)C2)n2ncnc2n1 ZINC000888099263 582605740 /nfs/dbraw/zinc/60/57/40/582605740.db2.gz VAONBWVMFHVPNT-SNVBAGLBSA-N 0 0 343.391 -0.530 10 0 EBAERN O=C([O-])[C@@]1([NH+]2CCN(Cc3nnc4n3CCOC4)CC2)CCOC1 ZINC000888102818 582605934 /nfs/dbraw/zinc/60/59/34/582605934.db2.gz OJWVTEAYWPFVMQ-OAHLLOKOSA-N 0 0 337.380 -0.830 10 0 EBAERN O=C(NCCS(=O)(=O)C(F)(F)F)[C@H]1CN2CCC[C@H]2CO1 ZINC000898677954 582737560 /nfs/dbraw/zinc/73/75/60/582737560.db2.gz AEJKKCCOMGWPFY-DTWKUNHWSA-N 0 0 330.328 -0.100 10 0 EBAERN CS(=O)(=O)N1CC(C(=O)N2CCO[C@H](c3nccs3)C2)C1 ZINC000900652283 582776716 /nfs/dbraw/zinc/77/67/16/582776716.db2.gz KYGFNZMMCXWTSG-JTQLQIEISA-N 0 0 331.419 -0.066 10 0 EBAERN Cn1ncc2c1nnn(CN1CCC(Nc3cccnn3)CC1)c2=O ZINC000132684937 584606978 /nfs/dbraw/zinc/60/69/78/584606978.db2.gz POUSDISBLUPRGZ-UHFFFAOYSA-N 0 0 341.379 -0.151 10 0 EBAERN CC(C)[N@@H+]1CCO[C@H](CN2CCN(Cn3ncn(C)c3=O)CC2)C1 ZINC000132820949 584607235 /nfs/dbraw/zinc/60/72/35/584607235.db2.gz GSNTYDNPQZBLLL-OAHLLOKOSA-N 0 0 338.456 -0.734 10 0 EBAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccnc(-n2ccnc2)c1 ZINC000129770402 649974665 /nfs/dbraw/zinc/97/46/65/649974665.db2.gz ZLGHHNXZXDIIAU-CQSZACIVSA-N 0 0 331.376 -0.310 10 0 EBAERN O=C(CCNS(=O)(=O)c1cccs1)N1CCOC[C@H]1CO ZINC000168606723 649978131 /nfs/dbraw/zinc/97/81/31/649978131.db2.gz WWLSUMRVQWTXDU-SNVBAGLBSA-N 0 0 334.419 -0.364 10 0 EBAERN CCS(=O)(=O)N1CCN(C(=O)c2nn3c(c2F)OCC3)CC1 ZINC000223844632 649983458 /nfs/dbraw/zinc/98/34/58/649983458.db2.gz HPIWZOBQUHYWBH-UHFFFAOYSA-N 0 0 332.357 -0.478 10 0 EBAERN O=C(CNC(=O)C[C@@H]1CS(=O)(=O)CCN1)NCc1ccccc1 ZINC000303320445 649993157 /nfs/dbraw/zinc/99/31/57/649993157.db2.gz ZINFLSFUGYOZME-CYBMUJFWSA-N 0 0 339.417 -0.804 10 0 EBAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC000702806393 650035594 /nfs/dbraw/zinc/03/55/94/650035594.db2.gz LGVZQTUODGWJJJ-AXFHLTTASA-N 0 0 327.381 -0.391 10 0 EBAERN COCCOCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702815214 650035599 /nfs/dbraw/zinc/03/55/99/650035599.db2.gz SSRBWEMZYFJXIR-VXGBXAGGSA-N 0 0 332.397 -0.007 10 0 EBAERN COCCS(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702843377 650036221 /nfs/dbraw/zinc/03/62/21/650036221.db2.gz RNRNGVIGXOUNAM-GHMZBOCLSA-N 0 0 338.426 -0.220 10 0 EBAERN COCCS(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702843381 650036289 /nfs/dbraw/zinc/03/62/89/650036289.db2.gz RNRNGVIGXOUNAM-QWRGUYRKSA-N 0 0 338.426 -0.220 10 0 EBAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)CN2CCCC2=O)[C@H](O)C1 ZINC000702842196 650036383 /nfs/dbraw/zinc/03/63/83/650036383.db2.gz MAHORUIXSYVJSK-VXGBXAGGSA-N 0 0 341.408 -0.047 10 0 EBAERN Cc1noc([C@H]2CN(C(=O)CNC(=O)N3CCCC3)CCN2C)n1 ZINC000908095445 650096221 /nfs/dbraw/zinc/09/62/21/650096221.db2.gz KRCKBUYTFIRJBK-GFCCVEGCSA-N 0 0 336.396 -0.001 10 0 EBAERN CN1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1c1nc(C2CC2)no1 ZINC000908091964 650096264 /nfs/dbraw/zinc/09/62/64/650096264.db2.gz AAYMWOCHPZCOTO-LBPRGKRZSA-N 0 0 348.407 -0.806 10 0 EBAERN Cc1ccnc(CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)n1 ZINC000910997564 650144409 /nfs/dbraw/zinc/14/44/09/650144409.db2.gz KXWMHNZKOLQLIN-QWHCGFSZSA-N 0 0 334.376 -0.192 10 0 EBAERN COc1cccc(N2C(=O)C[C@@H](N3CCN(CCO)CC3)C2=O)c1 ZINC000101274544 219120389 /nfs/dbraw/zinc/12/03/89/219120389.db2.gz PGTHFMVRGSLQDA-OAHLLOKOSA-N 0 0 333.388 -0.063 10 0 EBAERN CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@@H]1C(N)=O ZINC000039595061 213241414 /nfs/dbraw/zinc/24/14/14/213241414.db2.gz WKRBQSKJRZKXAH-SDDRHHMPSA-N 0 0 338.408 -0.728 10 0 EBAERN CCN(C(=S)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000039287148 213232965 /nfs/dbraw/zinc/23/29/65/213232965.db2.gz VZOIGLQSAIANNH-NXEZZACHSA-N 0 0 340.492 -0.443 10 0 EBAERN CCCN(CC(=O)OCC)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000038021529 213191270 /nfs/dbraw/zinc/19/12/70/213191270.db2.gz DMSCRASAWXKXKI-SNVBAGLBSA-N 0 0 327.424 -0.222 10 0 EBAERN CCCN1CCCN(C(=O)[C@@]2(O)CCCN(C(C)=O)C2)CC1=O ZINC000408057260 283327994 /nfs/dbraw/zinc/32/79/94/283327994.db2.gz RNONLWOWBRFSKW-MRXNPFEDSA-N 0 0 325.409 -0.169 10 0 EBAERN C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000029410324 212665456 /nfs/dbraw/zinc/66/54/56/212665456.db2.gz KCSJSWKNOVPZAO-AUTRQRHGSA-N 0 0 325.340 -0.211 10 0 EBAERN C[C@H](NS(C)(=O)=O)C(=O)NCCc1nnc2n1CCCCC2 ZINC000130723067 299338612 /nfs/dbraw/zinc/33/86/12/299338612.db2.gz CZKREZQBGUWHNK-JTQLQIEISA-N 0 0 329.426 -0.399 10 0 EBAERN COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CN1CCC(C)CC1 ZINC000408229167 291499418 /nfs/dbraw/zinc/49/94/18/291499418.db2.gz NPZNSTLXWBEKFA-LBPRGKRZSA-N 0 0 332.422 -0.483 10 0 EBAERN CCN(C)S(=O)(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C ZINC000408032135 284364238 /nfs/dbraw/zinc/36/42/38/284364238.db2.gz RYJJFFMZYOBSKQ-ZWNOBZJWSA-N 0 0 329.426 -0.132 10 0 EBAERN CC(C)CN(C(=O)CCn1ccccc1=O)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000643586276 375912850 /nfs/dbraw/zinc/91/28/50/375912850.db2.gz SHXNQXHLUCSTAP-CPUCHLNUSA-N 0 0 338.404 -0.156 10 0 EBAERN CCNC(=O)N1CC[C@H](NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)C1 ZINC000332762068 376039405 /nfs/dbraw/zinc/03/94/05/376039405.db2.gz VHJSAEFMSFPHSD-MELADBBJSA-N 0 0 339.440 -0.095 10 0 EBAERN CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@H](F)[C@H](COC(C)=O)O[C@H]1OC(C)=O ZINC000022046715 376243932 /nfs/dbraw/zinc/24/39/32/376243932.db2.gz AUCRVLBGFFSCPW-ZUWCUPBKSA-N 0 0 349.311 -0.388 10 0 EBAERN C[C@@H]1CCCCN1S(=O)(=O)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000407960687 376272458 /nfs/dbraw/zinc/27/24/58/376272458.db2.gz ZGDWLPRIQRTVJI-CHWSQXEVSA-N 0 0 348.469 -0.777 10 0 EBAERN C[C@H]1COC[C@H](C)N1C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000077138277 376338908 /nfs/dbraw/zinc/33/89/08/376338908.db2.gz SEMDOOWITQBQJZ-YUMQZZPRSA-N 0 0 346.181 -0.065 10 0 EBAERN CO[C@@H](C)CS(=O)(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408025705 376285036 /nfs/dbraw/zinc/28/50/36/376285036.db2.gz DDZNJEBCZZLPEK-TUAOUCFPSA-N 0 0 338.401 -0.378 10 0 EBAERN C[C@H](CCS(C)(=O)=O)NC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000408023836 376285453 /nfs/dbraw/zinc/28/54/53/376285453.db2.gz WCWWDROWRZZKKI-FRRDWIJNSA-N 0 0 333.454 -0.076 10 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155185309 /nfs/dbraw/zinc/18/53/09/155185309.db2.gz FHKNPDQMOKRPEU-CQSZACIVSA-N 0 0 339.436 -0.196 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328753756 155190027 /nfs/dbraw/zinc/19/00/27/155190027.db2.gz SHPISMUIEBBUAF-XQQFMLRXSA-N 0 0 332.422 -0.183 10 0 EBAERN CN1CCO[C@H]2CCN(C(=O)CCN3CCCS3(=O)=O)C[C@@H]21 ZINC000328927413 155196769 /nfs/dbraw/zinc/19/67/69/155196769.db2.gz XCIUBDBRUKCIKU-STQMWFEESA-N 0 0 331.438 -0.657 10 0 EBAERN Cn1nccc1[C@H]1[C@H](NS(=O)(=O)C[C@@H]2CCOC2)CC(=O)N1C ZINC000328989210 155201109 /nfs/dbraw/zinc/20/11/09/155201109.db2.gz RSXYMGQJXYJMLL-JTNHKYCSSA-N 0 0 342.421 -0.352 10 0 EBAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)Cn2cccnc2=O)CC1 ZINC000329330299 155220410 /nfs/dbraw/zinc/22/04/10/155220410.db2.gz YYGZLUDWGCIEDL-UHFFFAOYSA-N 0 0 344.419 -0.062 10 0 EBAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)Cn3cccnc3=O)CCO2)n1 ZINC000329365345 155222615 /nfs/dbraw/zinc/22/26/15/155222615.db2.gz JWONYZXSFZSNFU-AWEZNQCLSA-N 0 0 331.376 -0.016 10 0 EBAERN O=C([C@@H]1CNC(=O)C1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000329533141 155230079 /nfs/dbraw/zinc/23/00/79/155230079.db2.gz KGDPZDPVWUNZES-NWDGAFQWSA-N 0 0 345.421 -0.384 10 0 EBAERN NC(=O)[C@@H]1COCCN1C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000329714062 155237197 /nfs/dbraw/zinc/23/71/97/155237197.db2.gz SLABWYQBEMTDKU-TUAOUCFPSA-N 0 0 341.364 -0.845 10 0 EBAERN Cc1nc(S(=O)(=O)NCC(=O)N2CCCNC(=O)[C@H]2C)cn1C ZINC000329970279 155247593 /nfs/dbraw/zinc/24/75/93/155247593.db2.gz XUSJHAZEDAKKKQ-SECBINFHSA-N 0 0 343.409 -0.416 10 0 EBAERN C[C@@H](O)C(=O)N1CCN(C(=O)C[C@H](C)N2CCCCC2=O)CC1 ZINC000329974398 155248858 /nfs/dbraw/zinc/24/88/58/155248858.db2.gz XIELMAAZSBNTOR-QWHCGFSZSA-N 0 0 325.409 -0.171 10 0 EBAERN COCCC(=O)N1CCN([C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000330035415 155253214 /nfs/dbraw/zinc/25/32/14/155253214.db2.gz XIKONQPDDWJDGE-OAHLLOKOSA-N 0 0 339.436 -0.053 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000330276659 155261070 /nfs/dbraw/zinc/26/10/70/155261070.db2.gz NFKOBWKGPAFPRF-RYUDHWBXSA-N 0 0 344.437 -0.369 10 0 EBAERN C[N@H+](CC(=O)[O-])[C@@H]1CN(CC(=O)N2CCc3ccccc32)C[C@H]1O ZINC000331732155 155394020 /nfs/dbraw/zinc/39/40/20/155394020.db2.gz RORWCUATZHVIRN-HUUCEWRRSA-N 0 0 333.388 -0.363 10 0 EBAERN Cn1c2[nH]c(CN3CC[C@H]4OCCC[C@@H]4C3)nc2c(=O)n(C)c1=O ZINC000155534574 154092173 /nfs/dbraw/zinc/09/21/73/154092173.db2.gz LKMHNUXQAHJFQO-GHMZBOCLSA-N 0 0 333.392 -0.039 10 0 EBAERN Cc1nc2n(n1)C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)CC2 ZINC000171337366 154094350 /nfs/dbraw/zinc/09/43/50/154094350.db2.gz GYHVTCBWCDJYEJ-GFCCVEGCSA-N 0 0 341.437 -0.311 10 0 EBAERN CCN1CCN(CC(=O)N2CCC[C@@H]2c2cnn(C)c2)C(=O)C1=O ZINC000171349788 154094788 /nfs/dbraw/zinc/09/47/88/154094788.db2.gz VVXZOOOPOJTSQH-CYBMUJFWSA-N 0 0 333.392 -0.226 10 0 EBAERN CN1CCN(C(=O)CCNC(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000171867576 154096320 /nfs/dbraw/zinc/09/63/20/154096320.db2.gz HYQJXCZVLONCHZ-LBPRGKRZSA-N 0 0 335.412 -0.944 10 0 EBAERN Cc1cnn(CCNC(=O)N2CCCN(S(C)(=O)=O)CC2)c1 ZINC000172292684 154097439 /nfs/dbraw/zinc/09/74/39/154097439.db2.gz CWDPILWSFQOWIF-UHFFFAOYSA-N 0 0 329.426 -0.132 10 0 EBAERN O=C(Cn1nc2ccccn2c1=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172749241 154099436 /nfs/dbraw/zinc/09/94/36/154099436.db2.gz KGWREODYFKBARD-ZDUSSCGKSA-N 0 0 331.376 -0.571 10 0 EBAERN Cn1c(N)c(C(=O)CN2CCN3CCCC[C@@H]3C2)c(=O)n(C)c1=O ZINC000172801008 154099705 /nfs/dbraw/zinc/09/97/05/154099705.db2.gz ANAYFGWLEUBPIM-LLVKDONJSA-N 0 0 335.408 -0.981 10 0 EBAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3cn(CC(N)=O)nn3)C2)n1 ZINC000173519840 154100451 /nfs/dbraw/zinc/10/04/51/154100451.db2.gz FILRABIXDJDXQQ-LBPRGKRZSA-N 0 0 346.395 -0.476 10 0 EBAERN C[C@@H](CN1CCOCC1)NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173777401 154101092 /nfs/dbraw/zinc/10/10/92/154101092.db2.gz MZMVRGSXBVMSSR-LSDHHAIUSA-N 0 0 326.441 -0.177 10 0 EBAERN Cn1cc(N2CCN(C(=O)N[C@H]3CCc4ncnn4C3)CC2)cn1 ZINC000174277095 154102998 /nfs/dbraw/zinc/10/29/98/154102998.db2.gz HECNMZGWFIXEIQ-LBPRGKRZSA-N 0 0 330.396 -0.142 10 0 EBAERN CS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000177538287 154115736 /nfs/dbraw/zinc/11/57/36/154115736.db2.gz BWKWVGMEBBKUPE-GHMZBOCLSA-N 0 0 327.410 -0.099 10 0 EBAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CCN1CCCS1(=O)=O ZINC000177687787 154116063 /nfs/dbraw/zinc/11/60/63/154116063.db2.gz CICYHGXSTWYHGI-NSHDSACASA-N 0 0 327.410 -0.037 10 0 EBAERN Cc1ccc(C(=O)NCCC(=O)NC[C@@H]2CN3CCN2CC3)c(O)c1 ZINC000179025343 154122135 /nfs/dbraw/zinc/12/21/35/154122135.db2.gz VENDKNFVHDWOJS-CQSZACIVSA-N 0 0 346.431 -0.063 10 0 EBAERN O=C(NC[C@@H]1CN2CCN1CC2)C(=O)Nc1ccc2c(c1)CCO2 ZINC000178961722 154123503 /nfs/dbraw/zinc/12/35/03/154123503.db2.gz UHGIEQNMVJCXIA-CQSZACIVSA-N 0 0 330.388 -0.324 10 0 EBAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)NCCn2cc(C)cn2)C1 ZINC000180370998 154127742 /nfs/dbraw/zinc/12/77/42/154127742.db2.gz BADXMCZILSQDEH-LBPRGKRZSA-N 0 0 329.426 -0.085 10 0 EBAERN Cn1cc([C@H]2CNCCN2C(=O)CNC(=O)c2ccccn2)cn1 ZINC000181331840 154129355 /nfs/dbraw/zinc/12/93/55/154129355.db2.gz PTNVUQCTDKEVGU-CQSZACIVSA-N 0 0 328.376 -0.282 10 0 EBAERN C[C@H](N[C@@H](CO)c1ccccc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000182902362 154134960 /nfs/dbraw/zinc/13/49/60/154134960.db2.gz LBVJJGVEIQDMML-JQWIXIFHSA-N 0 0 346.387 -0.439 10 0 EBAERN CC(=O)N[C@@H]1CCCN(C(=O)CN2CCN(c3cc(C)[nH]n3)CC2)C1 ZINC000187181043 154146323 /nfs/dbraw/zinc/14/63/23/154146323.db2.gz RGULBWHDJQADMV-OAHLLOKOSA-N 0 0 348.451 -0.033 10 0 EBAERN CC(=O)N[C@H]1CCCN(C(=O)CN2CCN(c3cc(C)[nH]n3)CC2)C1 ZINC000187181024 154147342 /nfs/dbraw/zinc/14/73/42/154147342.db2.gz RGULBWHDJQADMV-HNNXBMFYSA-N 0 0 348.451 -0.033 10 0 EBAERN CNS(=O)(=O)CCNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000188282822 154150441 /nfs/dbraw/zinc/15/04/41/154150441.db2.gz NHZYAHCAVPZDDR-UHFFFAOYSA-N 0 0 329.426 -0.142 10 0 EBAERN COCCN1C[C@H](C(=O)N2CCN(c3cc(C)[nH]n3)CC2)CC1=O ZINC000189705155 154152421 /nfs/dbraw/zinc/15/24/21/154152421.db2.gz RMXNCLLDKODGDB-CYBMUJFWSA-N 0 0 335.408 -0.138 10 0 EBAERN CCn1cc([C@@H]2CN(C(=O)Cn3ccc(=O)n(C)c3=O)CCO2)cn1 ZINC000191730550 154156826 /nfs/dbraw/zinc/15/68/26/154156826.db2.gz UNJZDTZWRYJBNS-ZDUSSCGKSA-N 0 0 347.375 -0.637 10 0 EBAERN Cn1cnnc1C1CCN(C(=O)CN2CCCS2(=O)=O)CC1 ZINC000194146592 154164001 /nfs/dbraw/zinc/16/40/01/154164001.db2.gz MHEOHQQVVIWUPJ-UHFFFAOYSA-N 0 0 327.410 -0.443 10 0 EBAERN COCCNC(=O)CN1CCN(Cc2nnnn2C(C)C)CC1 ZINC000195038178 154164121 /nfs/dbraw/zinc/16/41/21/154164121.db2.gz OECVSYDJPSRCQN-UHFFFAOYSA-N 0 0 325.417 -0.866 10 0 EBAERN Cc1cc(N2CC[C@H](N3CC[C@@H](NS(C)(=O)=O)C3)C2=O)n(C)n1 ZINC000247702144 154186263 /nfs/dbraw/zinc/18/62/63/154186263.db2.gz YCNRINUEEJXVLG-NEPJUHHUSA-N 0 0 341.437 -0.543 10 0 EBAERN CCOCCN1CCN(CC(=O)N[C@H](C)C(=O)N(C)C)C[C@@H]1C ZINC000247084520 154186787 /nfs/dbraw/zinc/18/67/87/154186787.db2.gz HFWHKTRBKZNRRG-UONOGXRCSA-N 0 0 328.457 -0.378 10 0 EBAERN C[C@H](O)C[N@@H+]1CCN([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C[C@H]1C ZINC000252321436 154194090 /nfs/dbraw/zinc/19/40/90/154194090.db2.gz AOMIVJHQXDBOCK-RDBSUJKOSA-N 0 0 340.468 -0.501 10 0 EBAERN C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262306514 154223447 /nfs/dbraw/zinc/22/34/47/154223447.db2.gz QBCLRMLTLXVGEK-IVZWLZJFSA-N 0 0 333.435 -0.889 10 0 EBAERN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1COCCN1)CC2 ZINC000262603665 154239824 /nfs/dbraw/zinc/23/98/24/154239824.db2.gz ASZRKYRYDOKPGW-CYBMUJFWSA-N 0 0 339.417 -0.138 10 0 EBAERN Cc1nc2c(cnn2C)c(N2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)n1 ZINC000265216951 154308687 /nfs/dbraw/zinc/30/86/87/154308687.db2.gz MRZIYLJTYDSVPZ-NSHDSACASA-N 0 0 343.391 -0.544 10 0 EBAERN CN(C)c1nccc([C@H]2CN(C(=O)N[C@H]3CC(=O)N(C)C3)CCO2)n1 ZINC000276747781 154706587 /nfs/dbraw/zinc/70/65/87/154706587.db2.gz RVIFEMAAKFJUSZ-WCQYABFASA-N 0 0 348.407 -0.144 10 0 EBAERN CC(=O)N1CCC[C@@](O)(C(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 ZINC000284599191 154864384 /nfs/dbraw/zinc/86/43/84/154864384.db2.gz BNTAZQARBZFQBJ-YOEHRIQHSA-N 0 0 347.419 -0.065 10 0 EBAERN CO[C@H]1C[C@@H](CO)N(C(=O)CN2CCN(c3ccccn3)CC2)C1 ZINC000345488005 156337569 /nfs/dbraw/zinc/33/75/69/156337569.db2.gz RJIKSAQBCXUURE-GJZGRUSLSA-N 0 0 334.420 -0.188 10 0 EBAERN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CCN(CCO)CC1 ZINC000355836083 157028249 /nfs/dbraw/zinc/02/82/49/157028249.db2.gz FHLWBICKYQNUHQ-ZDUSSCGKSA-N 0 0 333.388 -0.747 10 0 EBAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000370310283 157591694 /nfs/dbraw/zinc/59/16/94/157591694.db2.gz YGLJFSBXNPGXHJ-IJLUTSLNSA-N 0 0 345.421 -0.531 10 0 EBAERN CS(=O)(=O)N1CCCN(C(=O)NCC(=O)N2CCCC2)CC1 ZINC000407997072 157702395 /nfs/dbraw/zinc/70/23/95/157702395.db2.gz DXZVTRMZDAPXRA-UHFFFAOYSA-N 0 0 332.426 -0.714 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000408007331 157703452 /nfs/dbraw/zinc/70/34/52/157703452.db2.gz HMBOJCYDQLDMQX-MNOVXSKESA-N 0 0 338.451 -0.506 10 0 EBAERN Cn1cc(C(=O)C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cn1 ZINC000408054630 157708047 /nfs/dbraw/zinc/70/80/47/157708047.db2.gz 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ZINC000408240629 419057475 /nfs/dbraw/zinc/05/74/75/419057475.db2.gz DYJALGHIGXKISC-UHFFFAOYSA-N 0 0 330.458 -0.043 10 0 EBAERN COC(=O)c1coc(S(=O)(=O)N2C[C@@H]3[C@H](C2)OCCN3C)c1 ZINC000407981441 419129414 /nfs/dbraw/zinc/12/94/14/419129414.db2.gz UGHFJINPNFJPMG-MNOVXSKESA-N 0 0 330.362 -0.230 10 0 EBAERN CNC(=O)[C@H]1CCCN1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000407989594 419130487 /nfs/dbraw/zinc/13/04/87/419130487.db2.gz KQZDYKKAACQGNU-GFCCVEGCSA-N 0 0 325.413 -0.930 10 0 EBAERN C[C@]1(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CCOC1 ZINC000407997582 419132980 /nfs/dbraw/zinc/13/29/80/419132980.db2.gz IMIFHINWFXZCIA-AWEZNQCLSA-N 0 0 343.405 -0.056 10 0 EBAERN CC(=O)N1CCC[C@](O)(C(=O)NCCN2CCOCC2(C)C)C1 ZINC000408051756 419174996 /nfs/dbraw/zinc/17/49/96/419174996.db2.gz QVBFLXBDNIGKTF-MRXNPFEDSA-N 0 0 327.425 -0.413 10 0 EBAERN C[C@@H](C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1)n1cncn1 ZINC000408051291 419175210 /nfs/dbraw/zinc/17/52/10/419175210.db2.gz HHHCHDSKQDDTFG-TUAOUCFPSA-N 0 0 325.344 -0.363 10 0 EBAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000408077810 419191383 /nfs/dbraw/zinc/19/13/83/419191383.db2.gz CLYNCHYBDOTURG-QWHCGFSZSA-N 0 0 348.407 -0.059 10 0 EBAERN CCS(=O)(=O)N1CC(CNC(=O)C(=O)N2CCC(C)CC2)C1 ZINC000407987272 419128679 /nfs/dbraw/zinc/12/86/79/419128679.db2.gz CBLUUJSBOVVHFA-UHFFFAOYSA-N 0 0 331.438 -0.357 10 0 EBAERN C[C@H](CCS(C)(=O)=O)NS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000408301503 419246618 /nfs/dbraw/zinc/24/66/18/419246618.db2.gz AWBLDWKZMRFHFI-OUAUKWLOSA-N 0 0 328.456 -0.247 10 0 EBAERN COC(=O)C1CCN(S(=O)(=O)N2C[C@@H](OC)C[C@H]2CO)CC1 ZINC000319280118 419202182 /nfs/dbraw/zinc/20/21/82/419202182.db2.gz GXHVILGFRRYCTJ-RYUDHWBXSA-N 0 0 336.410 -0.802 10 0 EBAERN C[C@H](O)CN1CCN(S(=O)(=O)N2CCOC(C)(C)C2)C[C@H]1C ZINC000408124392 419212794 /nfs/dbraw/zinc/21/27/94/419212794.db2.gz UUODGDWALDPGSK-OLZOCXBDSA-N 0 0 335.470 -0.271 10 0 EBAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](S(N)(=O)=O)C2)[C@H](C)CO1 ZINC000408146829 419213560 /nfs/dbraw/zinc/21/35/60/419213560.db2.gz VSUCIXSHTBJGFU-GMTAPVOTSA-N 0 0 341.455 -0.907 10 0 EBAERN CN(C)c1nccc(N2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)n1 ZINC000408208103 419240500 /nfs/dbraw/zinc/24/05/00/419240500.db2.gz KSPXTPHDUZKHJS-LBPRGKRZSA-N 0 0 332.408 -0.331 10 0 EBAERN C[C@H]1CN(CC(=O)N2CCN(c3cnccn3)CC2)CC[S@@]1=O ZINC000408212432 419241247 /nfs/dbraw/zinc/24/12/47/419241247.db2.gz WOXIEOWIYHRPDI-NPMABZOXSA-N 0 0 337.449 -0.422 10 0 EBAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CCOC[C@@H]1C(N)=O ZINC000368649038 419980708 /nfs/dbraw/zinc/98/07/08/419980708.db2.gz ZMGIJJWOPGTHLW-CHWSQXEVSA-N 0 0 347.437 -0.707 10 0 EBAERN NS(=O)(=O)N1CCN([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000162962932 420525476 /nfs/dbraw/zinc/52/54/76/420525476.db2.gz LATBSAXVTVNYEQ-SECBINFHSA-N 0 0 344.359 -0.639 10 0 EBAERN CC(C)[C@@H](C(=O)N1CCC[C@](O)(C(N)=O)C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000375781773 420790173 /nfs/dbraw/zinc/79/01/73/420790173.db2.gz AJPBBWAZKPQJIL-VWPFQQQWSA-N 0 0 341.452 -0.041 10 0 EBAERN O=C(CN(CCO)CCO)NCCNc1ccc2ccccc2n1 ZINC000584590875 421222240 /nfs/dbraw/zinc/22/22/40/421222240.db2.gz ICFOITCSWSBORC-UHFFFAOYSA-N 0 0 332.404 0.050 10 0 EBAERN O=C(Nc1ccn(CCN2CCOCC2)n1)N1CC[C@@H](CCO)C1 ZINC000329797641 421269332 /nfs/dbraw/zinc/26/93/32/421269332.db2.gz HIXVREMATMBWGH-AWEZNQCLSA-N 0 0 337.424 0.452 10 0 EBAERN CCNC(=O)CN1CCN(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)CC1 ZINC000408239264 264689875 /nfs/dbraw/zinc/68/98/75/264689875.db2.gz XYDRXZNAKUCBRR-OLZOCXBDSA-N 0 0 348.469 -0.906 10 0 EBAERN Cc1oc(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)cc1S(N)(=O)=O ZINC000352053786 279272905 /nfs/dbraw/zinc/27/29/05/279272905.db2.gz WFYCQGNQDCKKNM-MWLCHTKSSA-N 0 0 329.378 -0.610 10 0 EBAERN O=C1[C@@H](N2CCN3C(=O)C(=O)NC[C@H]3C2)CCN1c1ccccc1 ZINC000248216287 280313987 /nfs/dbraw/zinc/31/39/87/280313987.db2.gz ZRSJYYHUOOYJNH-KBPBESRZSA-N 0 0 328.372 -0.566 10 0 EBAERN CC[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@@H]1N1CCOCC1 ZINC000408184277 288258952 /nfs/dbraw/zinc/25/89/52/288258952.db2.gz 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CC(=O)O[C@@H]1[C@@H](C)O[C@@H](n2cc(F)c(N)nc2=O)[C@H]1OC(C)=O ZINC000033358763 519757334 /nfs/dbraw/zinc/75/73/34/519757334.db2.gz NWJBWNIUGNXJGO-WFFZQFIGSA-N 0 0 329.284 -0.255 10 0 EBAERN CCN1CCN(CC(=O)N2CCC(c3ccnn3C)CC2)C(=O)C1=O ZINC000124908733 521672940 /nfs/dbraw/zinc/67/29/40/521672940.db2.gz JOTGAWFHFWBWMB-UHFFFAOYSA-N 0 0 347.419 -0.183 10 0 EBAERN C[C@@]1(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CNC(=O)C1 ZINC000170247616 525798926 /nfs/dbraw/zinc/79/89/26/525798926.db2.gz MRZMAGDEPTUSME-AWEZNQCLSA-N 0 0 325.390 -0.481 10 0 EBAERN C[C@@H]1OCC[C@H]1NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000332772637 545845472 /nfs/dbraw/zinc/84/54/72/545845472.db2.gz IHPQBGABNCKKFY-ZNMIVQPWSA-N 0 0 339.436 -0.007 10 0 EBAERN C[C@H]1C[C@@H]1NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000332752202 545845514 /nfs/dbraw/zinc/84/55/14/545845514.db2.gz DAZQIFLXNOESRB-STQMWFEESA-N 0 0 345.469 -0.786 10 0 EBAERN CS(=O)(=O)N1CCC[C@@H](NC(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000332834593 545848258 /nfs/dbraw/zinc/84/82/58/545848258.db2.gz HUEXBOLSEXKXEK-MNOVXSKESA-N 0 0 342.425 -0.684 10 0 EBAERN Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCC(=O)N(C)C3=O)C[C@H]2CO)cn1 ZINC000333438599 545863471 /nfs/dbraw/zinc/86/34/71/545863471.db2.gz VZMUJYOUTGBHOV-RWMBFGLXSA-N 0 0 349.391 -0.715 10 0 EBAERN Cc1noc(CN2CCN(C(=O)NC[C@@H]3CN(C)CCO3)CC2)n1 ZINC000125804140 545965441 /nfs/dbraw/zinc/96/54/41/545965441.db2.gz GAJLMIBNHAVQDB-CYBMUJFWSA-N 0 0 338.412 -0.464 10 0 EBAERN CC(=O)NC1CN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccnn2C)C1 ZINC000888076155 582574166 /nfs/dbraw/zinc/57/41/66/582574166.db2.gz BJSUYQDEFSOKOF-WFASDCNBSA-N 0 0 333.392 -0.324 10 0 EBAERN C[C@@H]1CN(c2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@H]1N1CCOCC1 ZINC000892856984 582589406 /nfs/dbraw/zinc/58/94/06/582589406.db2.gz YOJSFKPPWWVWNG-GHMZBOCLSA-N 0 0 348.407 -0.883 10 0 EBAERN O=C(c1cn([C@@H]2COC[C@H]2O)nn1)N1CCN(Cc2ccco2)CC1 ZINC000888093838 582605108 /nfs/dbraw/zinc/60/51/08/582605108.db2.gz XLHPLNCGZIBAAN-HUUCEWRRSA-N 0 0 347.375 -0.239 10 0 EBAERN CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3cnn4ncccc34)C2)C1 ZINC000888098783 582605661 /nfs/dbraw/zinc/60/56/61/582605661.db2.gz UAGNSJFKKOCKQH-JTQLQIEISA-N 0 0 342.359 -0.852 10 0 EBAERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CC(=O)N2CCNC(=O)C2)C1 ZINC000888102904 582605910 /nfs/dbraw/zinc/60/59/10/582605910.db2.gz UEMGBVQVQSELEH-OLZOCXBDSA-N 0 0 335.408 -0.253 10 0 EBAERN CN1C(=O)CN(CC(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)C1=O ZINC000899091454 582745088 /nfs/dbraw/zinc/74/50/88/582745088.db2.gz VEKZDKQSJBLCIX-NSHDSACASA-N 0 0 332.364 -0.177 10 0 EBAERN Cc1nn(CC(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)c(=O)n1C ZINC000899089211 582745209 /nfs/dbraw/zinc/74/52/09/582745209.db2.gz NGIFLCPOHVDKBC-LBPRGKRZSA-N 0 0 331.380 -0.167 10 0 EBAERN CN1CCO[C@H](C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)C1=O ZINC000900092490 582761453 /nfs/dbraw/zinc/76/14/53/582761453.db2.gz JYNVLAZDFUHNIX-WCQYABFASA-N 0 0 338.385 -0.122 10 0 EBAERN CO[C@@H]1CN(C(=O)Cn2ccc(C)cc2=O)C[C@H]1c1cn(C)nn1 ZINC000886077783 584655801 /nfs/dbraw/zinc/65/58/01/584655801.db2.gz FOEFINGQMXXIBF-GXTWGEPZSA-N 0 0 331.376 -0.074 10 0 EBAERN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCCN2)N1Cc1ccccc1 ZINC000887545275 584678796 /nfs/dbraw/zinc/67/87/96/584678796.db2.gz PLQWJRVYZHRQPT-LSDHHAIUSA-N 0 0 332.404 -0.132 10 0 EBAERN C[C@@H]1CN(C(=O)CCc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@@H](C)O1 ZINC000222725249 649983360 /nfs/dbraw/zinc/98/33/60/649983360.db2.gz ZGDJGZRGMBXLKZ-NXEZZACHSA-N 0 0 349.391 -0.471 10 0 EBAERN C[C@H](NC(N)=O)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702811699 650035742 /nfs/dbraw/zinc/03/57/42/650035742.db2.gz ZZYZBDMHPIYPMT-AEJSXWLSSA-N 0 0 330.385 -0.613 10 0 EBAERN COC(=O)CNC(=O)CNC(=O)[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000722697915 650036821 /nfs/dbraw/zinc/03/68/21/650036821.db2.gz OVHHAHIHNARDOC-VIFPVBQESA-N 0 0 329.353 -0.599 10 0 EBAERN Cc1ccc(N(C)C2CCN(C(=O)CCNC(=O)CO)CC2)nn1 ZINC000906585747 650068910 /nfs/dbraw/zinc/06/89/10/650068910.db2.gz ANVHQTLPCFYNPP-UHFFFAOYSA-N 0 0 335.408 -0.289 10 0 EBAERN O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCOC[C@@H]1CO ZINC000912427306 650205348 /nfs/dbraw/zinc/20/53/48/650205348.db2.gz HOVPRYZFTFBUCM-NSHDSACASA-N 0 0 325.365 -0.539 10 0 EBAERN Cn1c2[nH]c(CCC(=O)NCCc3ccco3)nc2c(=O)n(C)c1=O ZINC000222721154 719408901 /nfs/dbraw/zinc/40/89/01/719408901.db2.gz UCKHPEXSOUMHLN-UHFFFAOYSA-N 0 0 345.359 -0.155 10 0 EBAERN C[C@H]1CN(S(=O)(=O)NCC2(S(C)(=O)=O)CC2)[C@@H](C)CO1 ZINC000408335111 300285060 /nfs/dbraw/zinc/28/50/60/300285060.db2.gz DWXCLSUKQMBGLM-UWVGGRQHSA-N 0 0 326.440 -0.493 10 0 EBAERN [NH3+]CCSC[C@H](NC(=O)CNC(=O)c1ccccc1)C(=O)[O-] ZINC000002244323 209834370 /nfs/dbraw/zinc/83/43/70/209834370.db2.gz DFJPLYQIEXIPBU-NSHDSACASA-N 0 0 325.390 -0.322 10 0 EBAERN C=CC(=O)OC[C@H](O)COCCCCOC[C@H](O)COC(=O)C=C ZINC000031351054 212731039 /nfs/dbraw/zinc/73/10/39/212731039.db2.gz QIPOUSKNIMYTRA-OKILXGFUSA-N 0 0 346.376 -0.020 10 0 EBAERN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000072857110 216318961 /nfs/dbraw/zinc/31/89/61/216318961.db2.gz YXALCXCSAMUBKD-CHWSQXEVSA-N 0 0 335.389 -0.240 10 0 EBAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000318503058 291381034 /nfs/dbraw/zinc/38/10/34/291381034.db2.gz JNUBTPLKJHJEMC-AXFHLTTASA-N 0 0 331.394 -0.633 10 0 EBAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCN2CCOC[C@H]2C1 ZINC000366506818 291381358 /nfs/dbraw/zinc/38/13/58/291381358.db2.gz UACXHKMPBWZKAM-UPJWGTAASA-N 0 0 332.422 -0.326 10 0 EBAERN COC(=O)[C@@H]1CS(=O)(=O)CCN1CC(=O)N1CCCCCC1 ZINC000408229178 291502151 /nfs/dbraw/zinc/50/21/51/291502151.db2.gz NVBXJEGLTVXRCZ-LBPRGKRZSA-N 0 0 332.422 -0.339 10 0 EBAERN COC(=O)[C@@H]1O[C@@H]2O[C@@](C)(OC)O[C@@H]2[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000022062909 291607633 /nfs/dbraw/zinc/60/76/33/291607633.db2.gz NSNLBRRVXINGAI-RUVDQYEXSA-N 0 0 348.304 -0.517 10 0 in-vitro EBAERN CCCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)CCN1CCOCC1 ZINC000643586161 375913649 /nfs/dbraw/zinc/91/36/49/375913649.db2.gz ANOUDZFHQAIPQT-FMKPAKJESA-N 0 0 330.425 -0.685 10 0 EBAERN O=C(COc1ccccc1)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1 ZINC000643586260 375913778 /nfs/dbraw/zinc/91/37/78/375913778.db2.gz QITJQCOTOQCQLJ-INMHGKMJSA-N 0 0 336.388 -0.670 10 0 EBAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000268686820 375984178 /nfs/dbraw/zinc/98/41/78/375984178.db2.gz QWGXKNAVENKTKO-ZWNOBZJWSA-N 0 0 330.410 -0.568 10 0 EBAERN Cc1cnn(Cc2cc(C(=O)N3C[C@@H](C)O[C@@H](C(N)=O)C3)no2)c1 ZINC000156650414 376090241 /nfs/dbraw/zinc/09/02/41/376090241.db2.gz OGXJSRATFPPKKO-ZWNOBZJWSA-N 0 0 333.348 -0.057 10 0 EBAERN O=C(N1CCCC1)[C@@]1(O)CCCN(S(=O)(=O)C[C@H]2CCOC2)C1 ZINC000408030802 376094018 /nfs/dbraw/zinc/09/40/18/376094018.db2.gz IDLUTBWWBKXVML-DZGCQCFKSA-N 0 0 346.449 -0.198 10 0 EBAERN CC[C@@H](O)CN1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000408096453 376188968 /nfs/dbraw/zinc/18/89/68/376188968.db2.gz CCYVXVWAZCCIJE-CQSZACIVSA-N 0 0 347.481 -0.427 10 0 EBAERN CC(=O)OC[C@H]1O[C@@H](n2cc(Cl)c(=O)[nH]c2=O)C[C@@H]1OC(C)=O ZINC000065739244 376226737 /nfs/dbraw/zinc/22/67/37/376226737.db2.gz VYGRPIVVXOHVEA-HBNTYKKESA-N 0 0 346.723 -0.028 10 0 in-vitro EBAERN CC[C@H](CO)N1CCN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000408015311 376281921 /nfs/dbraw/zinc/28/19/21/376281921.db2.gz BCDPWGKTLVWUGT-CHWSQXEVSA-N 0 0 333.454 -0.386 10 0 EBAERN CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)co1 ZINC000408023246 376283859 /nfs/dbraw/zinc/28/38/59/376283859.db2.gz QFOYXQDTTJFKEK-RYUDHWBXSA-N 0 0 343.405 -0.267 10 0 EBAERN O=C(N1CCCC1)[C@]1(O)CCCN(S(=O)(=O)Cc2ccon2)C1 ZINC000408031839 376290837 /nfs/dbraw/zinc/29/08/37/376290837.db2.gz XPGPKZNTPNUYSS-AWEZNQCLSA-N 0 0 343.405 -0.046 10 0 EBAERN Cc1noc([C@H]2CN(C(=O)CS(=O)(=O)N(C)C)CCN2C)n1 ZINC000408034996 376292334 /nfs/dbraw/zinc/29/23/34/376292334.db2.gz IRZSCJOOILOSTH-SNVBAGLBSA-N 0 0 331.398 -0.915 10 0 EBAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCN(Cc3nccn3C)CC2)C1 ZINC000408050770 376297382 /nfs/dbraw/zinc/29/73/82/376297382.db2.gz LHHBCTSLNKPOGP-KRWDZBQOSA-N 0 0 349.435 -0.562 10 0 EBAERN CC(=O)N1CCC[C@](O)(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)C1 ZINC000408053741 376298839 /nfs/dbraw/zinc/29/88/39/376298839.db2.gz PIQISABIDJMXSE-JLJPHGGASA-N 0 0 339.436 -0.461 10 0 EBAERN CC(=O)N1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)C1 ZINC000408055322 376299059 /nfs/dbraw/zinc/29/90/59/376299059.db2.gz TUBNXWGRFYKHSF-YNEHKIRRSA-N 0 0 331.438 -0.169 10 0 EBAERN Cn1ccc(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cc1=O ZINC000408053161 376299113 /nfs/dbraw/zinc/29/91/13/376299113.db2.gz NPDPKNNASMUKMZ-OLZOCXBDSA-N 0 0 337.351 -0.203 10 0 EBAERN CO[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)N(C)C1 ZINC000408055885 376299388 /nfs/dbraw/zinc/29/93/88/376299388.db2.gz XRCCTDAWSALBFK-RVMXOQNASA-N 0 0 333.454 -0.318 10 0 EBAERN CNS(=O)(=O)NCC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O ZINC000408059250 376300340 /nfs/dbraw/zinc/30/03/40/376300340.db2.gz ALOXXXXUJVZXJG-BZPMIXESSA-N 0 0 333.454 -0.028 10 0 EBAERN C[C@@H](O)CN1CCN(S(=O)(=O)N2CCOC(C)(C)C2)C[C@H]1C ZINC000408124391 376378298 /nfs/dbraw/zinc/37/82/98/376378298.db2.gz UUODGDWALDPGSK-CHWSQXEVSA-N 0 0 335.470 -0.271 10 0 EBAERN C[C@H](c1cnn(C)c1)N(C)C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000408125728 376379230 /nfs/dbraw/zinc/37/92/30/376379230.db2.gz DRVPXIXTUMAIOF-SNVBAGLBSA-N 0 0 329.426 -0.145 10 0 EBAERN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cncnc2)CC1 ZINC000408223152 376431899 /nfs/dbraw/zinc/43/18/99/376431899.db2.gz SQUBDMVEDOOOKD-CYBMUJFWSA-N 0 0 333.392 -0.518 10 0 EBAERN COCCN1CCCN(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)CC1=O ZINC000408268721 376521587 /nfs/dbraw/zinc/52/15/87/376521587.db2.gz DDBZGBNUIWBLPZ-OLZOCXBDSA-N 0 0 349.453 -0.479 10 0 EBAERN Cc1nc(C)n(C[C@H]2CCC[N@H+](CC(=O)N3CCNC(=O)C3)C2)n1 ZINC000105884967 376568609 /nfs/dbraw/zinc/56/86/09/376568609.db2.gz UFTVNZFRGDXZSO-AWEZNQCLSA-N 0 0 334.424 -0.435 10 0 EBAERN CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)c3nccnc3N)CC2)C1 ZINC000105868312 376570160 /nfs/dbraw/zinc/57/01/60/376570160.db2.gz RWISNLZZXUSQGW-AWEZNQCLSA-N 0 0 348.451 -0.074 10 0 EBAERN O=C(NCCNC(=O)c1cccnc1)N[C@H]1CCc2ncnn2C1 ZINC000112743009 376649321 /nfs/dbraw/zinc/64/93/21/376649321.db2.gz XEJPQJMVADBUTM-LBPRGKRZSA-N 0 0 329.364 -0.283 10 0 EBAERN Cn1nccc1N1CCC[C@@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1=O ZINC000408342328 376712829 /nfs/dbraw/zinc/71/28/29/376712829.db2.gz WWDXNGBRGSHQGV-VXGBXAGGSA-N 0 0 333.392 -0.100 10 0 EBAERN COC(=O)C1(CS(=O)(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CCC1 ZINC000408238229 376755464 /nfs/dbraw/zinc/75/54/64/376755464.db2.gz WKJYWYSCWAQSER-GHMZBOCLSA-N 0 0 330.406 -0.130 10 0 EBAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cnn(CC(F)F)c1 ZINC000120677124 376776893 /nfs/dbraw/zinc/77/68/93/376776893.db2.gz SAPDYRNHSUJOIW-LLVKDONJSA-N 0 0 333.339 -0.037 10 0 EBAERN CNC(=O)N[C@@H]1CCN([C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000408257115 376798905 /nfs/dbraw/zinc/79/89/05/376798905.db2.gz OGTJWDQKKLGUCO-TUAOUCFPSA-N 0 0 346.453 -0.976 10 0 EBAERN Cc1nc(C(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)c(=O)[nH]c1C ZINC000408276720 376820272 /nfs/dbraw/zinc/82/02/72/376820272.db2.gz KWZIOWDSKRMNPB-WDEREUQCSA-N 0 0 342.421 -0.023 10 0 EBAERN CC(=O)N1CC[C@H](NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1 ZINC000408284604 376829895 /nfs/dbraw/zinc/82/98/95/376829895.db2.gz BDDAYWQTCUBHEY-LBPRGKRZSA-N 0 0 337.401 -0.128 10 0 EBAERN CNC(=O)c1cc(S(=O)(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)cn1C ZINC000408286360 376831553 /nfs/dbraw/zinc/83/15/53/376831553.db2.gz LZHRWZGOYOIXIL-CHWSQXEVSA-N 0 0 342.421 -0.912 10 0 EBAERN CNC(=O)CN1CCC(NC(=O)N2CCCNC(=O)[C@H]2C)CC1 ZINC000408287183 376833855 /nfs/dbraw/zinc/83/38/55/376833855.db2.gz PHSMEAKDGKEZJX-LLVKDONJSA-N 0 0 325.413 -0.883 10 0 EBAERN CC(C)[C@H](C)CC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000408349068 376870527 /nfs/dbraw/zinc/87/05/27/376870527.db2.gz GOHYHSJMSRQTEW-RDBSUJKOSA-N 0 0 332.466 -0.029 10 0 EBAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cccc(-n2cccn2)n1 ZINC000128096610 376870859 /nfs/dbraw/zinc/87/08/59/376870859.db2.gz HOAUAVGDYHNKNA-CYBMUJFWSA-N 0 0 331.376 -0.310 10 0 EBAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCN(c2ccnc(C)n2)CC1 ZINC000408397561 376889819 /nfs/dbraw/zinc/88/98/19/376889819.db2.gz YNSOTKHXDBUWAG-UONOGXRCSA-N 0 0 333.392 -0.585 10 0 EBAERN CNS(=O)(=O)NCC(=O)N1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000408460646 376935563 /nfs/dbraw/zinc/93/55/63/376935563.db2.gz PYPUXNIPPBDSPC-ZDUSSCGKSA-N 0 0 335.426 -0.773 10 0 EBAERN O=c1[nH]cnc2c1nc(Br)n2[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC000113839641 377037172 /nfs/dbraw/zinc/03/71/72/377037172.db2.gz YEJPQKDYOHHMHH-KVQBGUIXSA-N 0 0 331.126 -0.065 10 0 EBAERN CN(C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1=O)[C@@H]1CCNC1=O ZINC000332756351 377313837 /nfs/dbraw/zinc/31/38/37/377313837.db2.gz QQLMJIJFAKQNLE-NWDGAFQWSA-N 0 0 334.380 -0.555 10 0 EBAERN Cc1noc([C@H]2CN(C(=O)N[C@H]3CCc4ncnn4C3)CCN2C)n1 ZINC000332784296 377317116 /nfs/dbraw/zinc/31/71/16/377317116.db2.gz CDLJETRSQGPSGK-NWDGAFQWSA-N 0 0 346.395 -0.017 10 0 EBAERN Cn1cc(CN2CCCN(C(=O)N[C@@H]3CCN(C)C3=O)CC2)cn1 ZINC000163841974 377375329 /nfs/dbraw/zinc/37/53/29/377375329.db2.gz CYEUBXAQOFRBPG-CQSZACIVSA-N 0 0 334.424 -0.132 10 0 EBAERN CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@@H]1OC(C)=O ZINC000616587145 378331544 /nfs/dbraw/zinc/33/15/44/378331544.db2.gz VEXTUPCIMUQWAO-POQQGIQPSA-N 0 0 348.304 -0.938 10 0 EBAERN C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[C@@H](O)C1 ZINC000372757111 379102233 /nfs/dbraw/zinc/10/22/33/379102233.db2.gz ITFQDPLBPNGBPG-YGRLFVJLSA-N 0 0 325.365 -0.805 10 0 EBAERN CC(=O)N[C@@H]1[C@@H](F)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000616591339 379131956 /nfs/dbraw/zinc/13/19/56/379131956.db2.gz YINDBJAYBRZDKS-BJJPWKGXSA-N 0 0 349.311 -0.388 10 0 EBAERN Cc1cnn(CCC(=O)N[C@@H]2CN(c3ncccn3)C[C@H]2CO)c1 ZINC000253414115 379115029 /nfs/dbraw/zinc/11/50/29/379115029.db2.gz WNJHQVKGXBCYCM-UONOGXRCSA-N 0 0 330.392 -0.015 10 0 EBAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000373201522 379156039 /nfs/dbraw/zinc/15/60/39/379156039.db2.gz ABMRALAUSSZIBK-STQMWFEESA-N 0 0 347.481 -0.022 10 0 EBAERN COc1ccc(N2CCN(C(=O)[C@@H]3COCCN3C(C)=O)CC2)nc1 ZINC000457032381 379177808 /nfs/dbraw/zinc/17/78/08/379177808.db2.gz UIUPOTWFLYOPQY-HNNXBMFYSA-N 0 0 348.403 -0.014 10 0 EBAERN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@@H]1OC(C)=O ZINC000616626226 379221137 /nfs/dbraw/zinc/22/11/37/379221137.db2.gz VEXTUPCIMUQWAO-XGFWRYKXSA-N 0 0 348.304 -0.938 10 0 EBAERN CCN1CCN(C(=O)[C@@H](C)N2CCO[C@H](c3nncn3C)C2)CC1 ZINC000328640860 379475134 /nfs/dbraw/zinc/47/51/34/379475134.db2.gz QGVJFEXWSDCPCY-KGLIPLIRSA-N 0 0 336.440 -0.259 10 0 EBAERN CN1CCO[C@H](CN(CC(N)=O)C(=O)C2=NN(C)C(=O)CC2)C1 ZINC000328656686 379477436 /nfs/dbraw/zinc/47/74/36/379477436.db2.gz ZONSJYIJGNTKFN-JTQLQIEISA-N 0 0 325.369 -0.711 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000056977392 379665012 /nfs/dbraw/zinc/66/50/12/379665012.db2.gz QVMIOIOQXOPMOD-VXGBXAGGSA-N 0 0 331.438 -0.025 10 0 EBAERN Cc1nnc([C@H]2CN(CC(=O)N(C)Cc3cnn(C)c3)CCO2)[nH]1 ZINC000173671348 379976157 /nfs/dbraw/zinc/97/61/57/379976157.db2.gz SKZSBSKZYWQKHO-CYBMUJFWSA-N 0 0 333.396 -0.121 10 0 EBAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCN(C)[C@@H](c2nccn2C)C1 ZINC000278893668 379937459 /nfs/dbraw/zinc/93/74/59/379937459.db2.gz PYQITCKREOBQAJ-VXGBXAGGSA-N 0 0 343.453 -0.485 10 0 EBAERN COc1ccnc(N2CCN(C(=O)N[C@@H]3CCC(=O)N[C@@H]3C)CC2)n1 ZINC000282121475 380059046 /nfs/dbraw/zinc/05/90/46/380059046.db2.gz GKZKJVCAKRMTNS-VXGBXAGGSA-N 0 0 348.407 -0.016 10 0 EBAERN CN1N=C(C(=O)N[C@H]2CCCN(c3ncc[nH]c3=O)C2)CCC1=O ZINC000275677901 380575126 /nfs/dbraw/zinc/57/51/26/380575126.db2.gz LXXXWHOMZGGMMB-JTQLQIEISA-N 0 0 332.364 -0.125 10 0 EBAERN CN1N=C(C(=O)N[C@@H]2CCCN(c3ncc[nH]c3=O)C2)CCC1=O ZINC000275677906 380575159 /nfs/dbraw/zinc/57/51/59/380575159.db2.gz LXXXWHOMZGGMMB-SNVBAGLBSA-N 0 0 332.364 -0.125 10 0 EBAERN Cc1noc([C@H](C)N2CCN(CC(=O)N3CCN(C)CC3)CC2)n1 ZINC000121007497 380595571 /nfs/dbraw/zinc/59/55/71/380595571.db2.gz URZLENMWJCSVJZ-ZDUSSCGKSA-N 0 0 336.440 -0.169 10 0 EBAERN COCCN1CCCN(C(=O)[C@@H]2CSCN2C(C)=O)CC1=O ZINC000373743156 380763264 /nfs/dbraw/zinc/76/32/64/380763264.db2.gz UMUNICRREMTLAF-LBPRGKRZSA-N 0 0 329.422 -0.385 10 0 EBAERN CC[C@H](O)CN1CCN(C(=O)N[C@H](C)CN2CCOCC2)CC1 ZINC000184837412 381026783 /nfs/dbraw/zinc/02/67/83/381026783.db2.gz RDONPJIEQUHKKE-CABCVRRESA-N 0 0 328.457 -0.195 10 0 EBAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCN(c3cccnn3)CC2)C1 ZINC000170650101 381036737 /nfs/dbraw/zinc/03/67/37/381036737.db2.gz FYGYUYNJIAZNKI-ZDUSSCGKSA-N 0 0 332.408 -0.678 10 0 EBAERN O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000332757102 381265636 /nfs/dbraw/zinc/26/56/36/381265636.db2.gz PJQRSUHBYCPVNF-QWRGUYRKSA-N 0 0 332.447 -0.009 10 0 EBAERN C[C@@H]1C(=O)NCCCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1[C@@H]1CCCO1 ZINC000332857100 381268425 /nfs/dbraw/zinc/26/84/25/381268425.db2.gz OFHSTGPWQOUIFY-NRWUCQMLSA-N 0 0 338.408 -0.267 10 0 EBAERN C[C@]1(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)CCCNC1=O ZINC000333023882 381275376 /nfs/dbraw/zinc/27/53/76/381275376.db2.gz 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298632063 /nfs/dbraw/zinc/63/20/63/298632063.db2.gz UPIIXRIRABPIQK-MGPQQGTHSA-N 0 0 335.470 -0.007 10 0 EBAERN C[C@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCN1S(C)(=O)=O ZINC000329446479 300171087 /nfs/dbraw/zinc/17/10/87/300171087.db2.gz BOVXJNYSSHQZFK-ZDEQEGDKSA-N 0 0 332.422 -0.470 10 0 EBAERN NC(=O)CN1CCC(C(=O)N2CCCO[C@H](Cn3cccn3)C2)CC1 ZINC000091325824 303250414 /nfs/dbraw/zinc/25/04/14/303250414.db2.gz VHJWQVXQIXETGS-HNNXBMFYSA-N 0 0 349.435 -0.302 10 0 EBAERN NC(=O)[C@H]1COCCN1S(=O)(=O)N1CCc2ccccc2C1 ZINC000408117421 303334400 /nfs/dbraw/zinc/33/44/00/303334400.db2.gz BPVXXFQPRWNPOM-CYBMUJFWSA-N 0 0 325.390 -0.524 10 0 EBAERN Cn1nnnc1CN1CCN2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000378621415 527656874 /nfs/dbraw/zinc/65/68/74/527656874.db2.gz HXUQYGUNORFSQH-GFCCVEGCSA-N 0 0 327.348 -0.137 10 0 EBAERN C[C@@H](C(=O)N(C)CC(=O)N[C@@H]1CCc2ncnn2C1)n1cccn1 ZINC000112659390 545650457 /nfs/dbraw/zinc/65/04/57/545650457.db2.gz JIKLOMRWEYYLFW-NWDGAFQWSA-N 0 0 331.380 -0.375 10 0 EBAERN 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/nfs/dbraw/zinc/13/03/35/154130335.db2.gz UBYKTGZOPNWKAY-OCCSQVGLSA-N 0 0 335.408 -0.612 10 0 EBAERN Cc1nc2n(n1)C[C@H](NC(=O)c1cn(CC3(C)COC3)nn1)CC2 ZINC000184614443 154137595 /nfs/dbraw/zinc/13/75/95/154137595.db2.gz BLLQBMRNVKCQNK-LLVKDONJSA-N 0 0 331.380 -0.041 10 0 EBAERN CNS(=O)(=O)CCNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000187862317 154149746 /nfs/dbraw/zinc/14/97/46/154149746.db2.gz FKSFVUMEKWEKFY-UHFFFAOYSA-N 0 0 329.426 -0.146 10 0 EBAERN CCc1cc(NC(=O)C(=O)N2CCN(C[C@@H](O)CC)CC2)n(C)n1 ZINC000189467047 154152322 /nfs/dbraw/zinc/15/23/22/154152322.db2.gz DLDSALZKOSVTJR-ZDUSSCGKSA-N 0 0 337.424 -0.164 10 0 EBAERN Cc1cc(N2CCN(C(=O)CN3CCCS3(=O)=O)CC2)n[nH]1 ZINC000189730064 154152349 /nfs/dbraw/zinc/15/23/49/154152349.db2.gz NASXHXRJZPNAGS-UHFFFAOYSA-N 0 0 327.410 -0.598 10 0 EBAERN O=C(c1cc2c(cn1)nc[nH]c2=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000189903146 154154612 /nfs/dbraw/zinc/15/46/12/154154612.db2.gz KKJPOSZWDDMYKI-LLVKDONJSA-N 0 0 329.360 -0.135 10 0 EBAERN CNC(=O)[C@H](NC(=O)CN1CCCN(C)C(=O)C1)c1ccccc1 ZINC000191104901 154156790 /nfs/dbraw/zinc/15/67/90/154156790.db2.gz KNKOOHBGHVBXNW-MRXNPFEDSA-N 0 0 332.404 -0.246 10 0 EBAERN Cn1cnnc1C1CCN(C(=O)CCN2CCCS2(=O)=O)CC1 ZINC000194165958 154162943 /nfs/dbraw/zinc/16/29/43/154162943.db2.gz SKVDPHXUURJIEB-UHFFFAOYSA-N 0 0 341.437 -0.053 10 0 EBAERN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N[C@H]1CCc2ncnn2C1 ZINC000246548909 154183135 /nfs/dbraw/zinc/18/31/35/154183135.db2.gz IQQGCFSSOLANMV-QJPTWQEYSA-N 0 0 331.376 -0.116 10 0 EBAERN CCN(C(=O)CN1CCN2CCC[C@H]2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000247392828 154187459 /nfs/dbraw/zinc/18/74/59/154187459.db2.gz XJSOUGMGMIAKTL-UONOGXRCSA-N 0 0 329.466 -0.198 10 0 EBAERN C[C@H](O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C[C@H]1C ZINC000248368720 154190049 /nfs/dbraw/zinc/19/00/49/154190049.db2.gz VMVYDMPNNCPQPS-FRRDWIJNSA-N 0 0 335.408 -0.324 10 0 EBAERN COc1cc(OC)cc(N2CC[C@@H](NC(=O)[C@H]3COCCN3)C2=O)c1 ZINC000262635026 154241269 /nfs/dbraw/zinc/24/12/69/154241269.db2.gz MODDSSFGDDUFIT-HUUCEWRRSA-N 0 0 349.387 -0.086 10 0 EBAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000270144217 154478731 /nfs/dbraw/zinc/47/87/31/154478731.db2.gz UDCYOHJIMQTIHQ-NEPJUHHUSA-N 0 0 348.407 -0.165 10 0 EBAERN COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)c[nH]1 ZINC000284564846 154860562 /nfs/dbraw/zinc/86/05/62/154860562.db2.gz FXTHUHZHXACHGJ-OLZOCXBDSA-N 0 0 343.405 -0.105 10 0 EBAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)C1 ZINC000286859643 154931102 /nfs/dbraw/zinc/93/11/02/154931102.db2.gz NKYGGPPARXNFIV-IAQYHMDHSA-N 0 0 325.365 -0.988 10 0 EBAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000332854970 155486759 /nfs/dbraw/zinc/48/67/59/155486759.db2.gz FLNUXFVNQSETKZ-QWHCGFSZSA-N 0 0 348.407 -0.374 10 0 EBAERN O=C([C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@@H](CO)C1)N1CCOCC1 ZINC000333386116 155509330 /nfs/dbraw/zinc/50/93/30/155509330.db2.gz BSGCRINAQAMBMC-KFWWJZLASA-N 0 0 338.404 -0.353 10 0 EBAERN CC[C@H](NC(=O)N1CCCNC(=O)[C@H]1C)C(=O)N1CCOCC1 ZINC000364552676 157501141 /nfs/dbraw/zinc/50/11/41/157501141.db2.gz VPWSHUJSBPCTPF-NEPJUHHUSA-N 0 0 326.397 -0.456 10 0 EBAERN CCN(CCOCCO)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000368638508 157565617 /nfs/dbraw/zinc/56/56/17/157565617.db2.gz NXJCWFNQDRVPRR-IUODEOHRSA-N 0 0 338.408 -0.203 10 0 EBAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000407989597 157701350 /nfs/dbraw/zinc/70/13/50/157701350.db2.gz KQZDYKKAACQGNU-LBPRGKRZSA-N 0 0 325.413 -0.930 10 0 EBAERN COCCN1CCN(S(=O)(=O)N2CCOC(C)(C)C2)C[C@@H]1C ZINC000408124956 157712273 /nfs/dbraw/zinc/71/22/73/157712273.db2.gz XMIGYOPWZIFAHB-ZDUSSCGKSA-N 0 0 335.470 -0.006 10 0 EBAERN CCS(=O)(=O)NCCS(=O)(=O)N1CC[S@@](=O)CC[C@H]1C ZINC000408390495 286687880 /nfs/dbraw/zinc/68/78/80/286687880.db2.gz WEFBMYPWBLAPQD-MGNBDDOMSA-N 0 0 346.496 -0.902 10 0 EBAERN CC(=O)O[C@H]1O[C@@H]2CO[C@@H](C)O[C@H]2[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000096329045 419043537 /nfs/dbraw/zinc/04/35/37/419043537.db2.gz FRXAYUBXOIXSRC-HUXGKSLCSA-N 0 0 332.305 -0.101 10 0 EBAERN CCS(=O)(=O)N1CCC(NC(=O)N2CCC[C@@H]2C(=O)NC)CC1 ZINC000407988810 419129327 /nfs/dbraw/zinc/12/93/27/419129327.db2.gz GDPJYUYQDNFWLR-GFCCVEGCSA-N 0 0 346.453 -0.280 10 0 EBAERN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@H](CO)C1 ZINC000408004042 419132694 /nfs/dbraw/zinc/13/26/94/419132694.db2.gz WDZBNQIUTKWKCZ-QWHCGFSZSA-N 0 0 334.438 -0.200 10 0 EBAERN CNS(=O)(=O)c1cc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)co1 ZINC000407998561 419132736 /nfs/dbraw/zinc/13/27/36/419132736.db2.gz QZJDUAFQFOBDQY-MNOVXSKESA-N 0 0 329.378 -0.657 10 0 EBAERN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCO[C@@H](CO)C1 ZINC000408001408 419133227 /nfs/dbraw/zinc/13/32/27/419133227.db2.gz FLRVOAOOGVQPSC-SNVBAGLBSA-N 0 0 332.378 -0.328 10 0 EBAERN O=C(CN1CCCC[C@H](O)C1=O)N1CCC(Cn2ccnn2)CC1 ZINC000644406876 419156588 /nfs/dbraw/zinc/15/65/88/419156588.db2.gz OZEOXSOJNSTGJT-AWEZNQCLSA-N 0 0 335.408 -0.110 10 0 EBAERN C[C@@H]1C[C@@H](C(=O)N2CCN(CCS(N)(=O)=O)CC2)C[C@H](C)O1 ZINC000408079598 419190775 /nfs/dbraw/zinc/19/07/75/419190775.db2.gz ICAPYRAHWOWDDB-CLLJXQQHSA-N 0 0 333.454 -0.377 10 0 EBAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000407972290 419127851 /nfs/dbraw/zinc/12/78/51/419127851.db2.gz LMYWOGWVZKGNCN-STQMWFEESA-N 0 0 347.437 -0.141 10 0 EBAERN Cc1cc(N2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)n2ncnc2n1 ZINC000407979350 419127912 /nfs/dbraw/zinc/12/79/12/419127912.db2.gz XHCKKVQEKVINTI-LLVKDONJSA-N 0 0 329.364 -0.783 10 0 EBAERN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CC(NC(C)=O)C1 ZINC000408260601 419245131 /nfs/dbraw/zinc/24/51/31/419245131.db2.gz XAYFHVSTNQSVDU-ZDUSSCGKSA-N 0 0 331.438 -0.072 10 0 EBAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@@]2(C)CCCNC2=O)C1 ZINC000408370308 419251070 /nfs/dbraw/zinc/25/10/70/419251070.db2.gz JHPFDWUJGSOBJS-FZMZJTMJSA-N 0 0 331.438 -0.169 10 0 EBAERN CN(C)C(=O)c1cc(S(=O)(=O)N2CCNC(=O)C2(C)C)cn1C ZINC000408100529 419206405 /nfs/dbraw/zinc/20/64/05/419206405.db2.gz SQBFOSQNSUQAQP-UHFFFAOYSA-N 0 0 342.421 -0.374 10 0 EBAERN C[C@H]1CN(CC(=O)N2CCN(c3cnccn3)CC2)CC[S@]1=O ZINC000408212431 419241681 /nfs/dbraw/zinc/24/16/81/419241681.db2.gz WOXIEOWIYHRPDI-ZAMGYDSWSA-N 0 0 337.449 -0.422 10 0 EBAERN COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)[C@H](O)C1CCCCC1 ZINC000408416629 419273084 /nfs/dbraw/zinc/27/30/84/419273084.db2.gz ODBOHRIDCBCPHQ-VXGBXAGGSA-N 0 0 333.406 -0.274 10 0 EBAERN CN1CCO[C@@H]2CN(C(=O)Cc3ccc(-n4cnnn4)cc3)C[C@H]21 ZINC000531868363 419274005 /nfs/dbraw/zinc/27/40/05/419274005.db2.gz FYQFEQOLKYWQCF-HUUCEWRRSA-N 0 0 328.376 -0.254 10 0 EBAERN CC(C)[C@@H](NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCC(=O)[O-] ZINC000028631367 419571709 /nfs/dbraw/zinc/57/17/09/419571709.db2.gz NWEGIYMHTZXVBP-TZMCWYRMSA-N 0 0 337.376 -0.396 10 0 EBAERN C[C@@H]1COCCN1CCN1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000192698215 419614024 /nfs/dbraw/zinc/61/40/24/419614024.db2.gz BWBLDJNRTZGTCJ-OAHLLOKOSA-N 0 0 338.452 -0.526 10 0 EBAERN Cn1nccc1C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1=O ZINC000378578584 419756670 /nfs/dbraw/zinc/75/66/70/419756670.db2.gz LLIZETLWACOEEB-CYBMUJFWSA-N 0 0 335.408 -0.527 10 0 EBAERN Cn1c2ccc(S(=O)(=O)N3C[C@H](F)C[C@H]3CO)cc2n(C)c1=O ZINC000372424331 419722422 /nfs/dbraw/zinc/72/24/22/419722422.db2.gz CWHKHXJVQNHWLW-ZJUUUORDSA-N 0 0 343.380 -0.030 10 0 EBAERN O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCN2CCC[C@@H]2C1 ZINC000195325894 419811421 /nfs/dbraw/zinc/81/14/21/419811421.db2.gz QQKKKUJJKKNTLD-GFCCVEGCSA-N 0 0 336.417 -0.209 10 0 EBAERN COc1ncccc1CN1CCO[C@H](CNc2nccn(C)c2=O)C1 ZINC000563353071 420573584 /nfs/dbraw/zinc/57/35/84/420573584.db2.gz GWVGHWFVVSYOQG-CQSZACIVSA-N 0 0 345.403 0.497 10 0 EBAERN CCS(=O)(=O)NCCCNS(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000408237000 264689119 /nfs/dbraw/zinc/68/91/19/264689119.db2.gz RFDKFHADXXYWGD-QWRGUYRKSA-N 0 0 343.471 -0.741 10 0 EBAERN CN1CC[C@H](C(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)CC1=O ZINC000408241265 264690091 /nfs/dbraw/zinc/69/00/91/264690091.db2.gz INANHCLKCTWXHH-SDDRHHMPSA-N 0 0 331.438 -0.169 10 0 EBAERN CC(=O)OC[C@@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1OC(C)=O ZINC000004758958 277093481 /nfs/dbraw/zinc/09/34/81/277093481.db2.gz IMWAONMKDTZRAJ-GARJFASQSA-N 0 0 330.268 -0.542 10 0 EBAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCO[C@]3(CCO[C@H]3C)C2)C1 ZINC000408058456 278031585 /nfs/dbraw/zinc/03/15/85/278031585.db2.gz JUMPVYBDMAUHRX-APHBMKBZSA-N 0 0 326.393 -0.234 10 0 EBAERN CC(=O)NC1CN(C(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000276122233 278091515 /nfs/dbraw/zinc/09/15/15/278091515.db2.gz GYNJQGFJUARRKT-GJZGRUSLSA-N 0 0 335.404 -0.226 10 0 EBAERN C[C@@H](O)CN1CCN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)CC1 ZINC000372557208 278399329 /nfs/dbraw/zinc/39/93/29/278399329.db2.gz LXHGEKJCTYLFSF-MXWKQRLJSA-N 0 0 337.342 -0.032 10 0 EBAERN Cc1oc(C(=O)N2CC[C@H](N3CCOCC3)C2)cc1S(N)(=O)=O ZINC000408446121 279272933 /nfs/dbraw/zinc/27/29/33/279272933.db2.gz HFEROGNQYHLUNT-NSHDSACASA-N 0 0 343.405 -0.218 10 0 EBAERN Cc1cc(C(=O)N[C@@H]2CCO[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000270935647 280353571 /nfs/dbraw/zinc/35/35/71/280353571.db2.gz UYAPJILVSYOHRS-VHSXEESVSA-N 0 0 332.360 -0.152 10 0 EBAERN CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCO[C@@H](CO)C1)C2=O ZINC000408001100 281770854 /nfs/dbraw/zinc/77/08/54/281770854.db2.gz AGDNGMGJHCELRH-BWBHSNQOSA-N 0 0 339.392 -0.293 10 0 EBAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2CN2CCOCC2)O1 ZINC000329265668 289024616 /nfs/dbraw/zinc/02/46/16/289024616.db2.gz FIQSPDOLRUCLMQ-ZNMIVQPWSA-N 0 0 339.436 -0.055 10 0 EBAERN CN(C)S(=O)(=O)CC(=O)N1CCN(C)[C@@H](c2nccn2C)C1 ZINC000408395290 289229318 /nfs/dbraw/zinc/22/93/18/289229318.db2.gz TXPRYQISPRPPQT-LLVKDONJSA-N 0 0 329.426 -0.873 10 0 EBAERN CO[C@H]1C[C@H](C(=O)N2CCO[C@@]3(CCOC3)C2)N(S(C)(=O)=O)C1 ZINC000329908961 294644453 /nfs/dbraw/zinc/64/44/53/294644453.db2.gz UQRSFJSOOJPENU-SCRDCRAPSA-N 0 0 348.421 -0.947 10 0 EBAERN CS(=O)(=O)N1CC[C@H]2OCCN(C(=O)c3ccncc3)[C@@H]2C1 ZINC000247532309 295523530 /nfs/dbraw/zinc/52/35/30/295523530.db2.gz PDACQCKQWBCBBY-CHWSQXEVSA-N 0 0 325.390 -0.044 10 0 EBAERN C[C@H]1OCCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)[C@@H]1C ZINC000329971821 300594272 /nfs/dbraw/zinc/59/42/72/300594272.db2.gz YTYIQCKBRFISMC-HKCMKHECSA-N 0 0 336.392 -0.046 10 0 EBAERN Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262218759 301648567 /nfs/dbraw/zinc/64/85/67/301648567.db2.gz JIWDNSLQOCGGHR-MFKMUULPSA-N 0 0 327.406 -0.323 10 0 EBAERN NC(=O)[C@H]1COCCN1C(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000091809998 527014065 /nfs/dbraw/zinc/01/40/65/527014065.db2.gz PZCDTQMVCUXBDN-MRXNPFEDSA-N 0 0 346.431 -0.483 10 0 EBAERN Cc1noc(CN2CCN(C(=O)NCC(=O)N3CCCC3)CC2)n1 ZINC000122213754 545758616 /nfs/dbraw/zinc/75/86/16/545758616.db2.gz AFFMFKNRIFMFKD-UHFFFAOYSA-N 0 0 336.396 -0.172 10 0 EBAERN C[C@@H]1OCC[C@H]1NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000332772636 545845948 /nfs/dbraw/zinc/84/59/48/545845948.db2.gz IHPQBGABNCKKFY-RRFJBIMHSA-N 0 0 339.436 -0.007 10 0 EBAERN 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EBAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCN(C(=O)C3CC3)C2)nn1 ZINC000333573408 381935681 /nfs/dbraw/zinc/93/56/81/381935681.db2.gz MUCUKQROBDJBCY-CHWSQXEVSA-N 0 0 335.364 -0.484 10 0 EBAERN CO[C@H]1COC[C@@H]1n1cc(CNS(=O)(=O)CC(C)(C)OC)nn1 ZINC000352708223 382021768 /nfs/dbraw/zinc/02/17/68/382021768.db2.gz FNANAEHUTYHFEF-RYUDHWBXSA-N 0 0 348.425 -0.291 10 0 EBAERN CCn1c2c(ccn2CC(=O)N2CCN(C)CC2)c(=O)n(CC)c1=O ZINC000065030804 382111957 /nfs/dbraw/zinc/11/19/57/382111957.db2.gz VLRSXSRFETVCEA-UHFFFAOYSA-N 0 0 347.419 -0.222 10 0 EBAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H]1CC(=O)N(CCOC)C1)CC2 ZINC000114864264 382123445 /nfs/dbraw/zinc/12/34/45/382123445.db2.gz AIJLCJVKINKTHM-NWDGAFQWSA-N 0 0 335.408 -0.234 10 0 EBAERN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCOC[C@@H]1C(N)=O ZINC000367447430 296335899 /nfs/dbraw/zinc/33/58/99/296335899.db2.gz BPWCVIPRBLBFSZ-GRYCIOLGSA-N 0 0 326.397 -0.423 10 0 EBAERN C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCO[C@H](C)[C@H]1C(N)=O ZINC000408046333 296355671 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Cn1c(N2CCO[C@@H](Cn3cccn3)C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000329172549 155210741 /nfs/dbraw/zinc/21/07/41/155210741.db2.gz AHDWTBXICJXAKI-SNVBAGLBSA-N 0 0 345.363 -0.526 10 0 EBAERN Cc1cc(C)n2nc(CC(=O)N3CCN4CCOC[C@@H]4C3)nc2n1 ZINC000329443173 155226342 /nfs/dbraw/zinc/22/63/42/155226342.db2.gz NJJXNILZQNEZAY-ZDUSSCGKSA-N 0 0 330.392 -0.173 10 0 EBAERN COCCN1C[C@H](C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)CC1=O ZINC000329750461 155237081 /nfs/dbraw/zinc/23/70/81/155237081.db2.gz VACOWFVDIDJIRG-NEPJUHHUSA-N 0 0 337.380 -0.492 10 0 EBAERN COCCN1C[C@@H](C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)CC1=O ZINC000329750466 155238188 /nfs/dbraw/zinc/23/81/88/155238188.db2.gz VACOWFVDIDJIRG-RYUDHWBXSA-N 0 0 337.380 -0.492 10 0 EBAERN Cn1nncc1S(=O)(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000330070386 155253291 /nfs/dbraw/zinc/25/32/91/155253291.db2.gz IAPJPDQKUGFCOA-PWSUYJOCSA-N 0 0 339.421 -0.021 10 0 EBAERN COCC(=O)N1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000330212338 155258713 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EBAERN CNC(=O)N[C@H]1CCN([C@H](C)C(=O)N2CCN(C(C)=O)CC2)C1 ZINC000408258562 376452174 /nfs/dbraw/zinc/45/21/74/376452174.db2.gz YEZXWGLTOMMWMA-YPMHNXCESA-N 0 0 325.413 -0.931 10 0 EBAERN Cc1ccc2c(CS(=O)(=O)NCS(N)(=O)=O)ccc(O)c2n1 ZINC000094568731 376473074 /nfs/dbraw/zinc/47/30/74/376473074.db2.gz ZSZRIIILXKEIAT-UHFFFAOYSA-N 0 0 345.402 -0.086 10 0 EBAERN COCCN1CCCN(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)CC1=O ZINC000408268723 376522329 /nfs/dbraw/zinc/52/23/29/376522329.db2.gz DDBZGBNUIWBLPZ-STQMWFEESA-N 0 0 349.453 -0.479 10 0 EBAERN CCOC(=O)C1CCN(S(=O)(=O)N[C@H]2CCN(C(C)=O)C2)CC1 ZINC000408287475 376553060 /nfs/dbraw/zinc/55/30/60/376553060.db2.gz SCPXVHDWFYUJJL-ZDUSSCGKSA-N 0 0 347.437 -0.283 10 0 EBAERN CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105883589 376569932 /nfs/dbraw/zinc/56/99/32/376569932.db2.gz VQFAQFLRZWIRAV-CQSZACIVSA-N 0 0 336.440 -0.025 10 0 EBAERN C[C@@H](O)C1CCN(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CC1 ZINC000111286454 376630401 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CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000408325504 376861026 /nfs/dbraw/zinc/86/10/26/376861026.db2.gz BDUJUKQNBFMBTL-RISCZKNCSA-N 0 0 331.438 -0.086 10 0 EBAERN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCO[C@H](CO)C1)C2=O ZINC000408370714 376876027 /nfs/dbraw/zinc/87/60/27/376876027.db2.gz OPOCIJQQSIXINU-BFQNTYOBSA-N 0 0 339.392 -0.293 10 0 EBAERN Cc1nn(C)c2ncc(S(=O)(=O)N3CCO[C@@H](CO)C3)cc12 ZINC000408432353 376912968 /nfs/dbraw/zinc/91/29/68/376912968.db2.gz FYXLNIFUKGSACU-SNVBAGLBSA-N 0 0 326.378 -0.341 10 0 EBAERN CC(C)C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O ZINC000106386842 376946930 /nfs/dbraw/zinc/94/69/30/376946930.db2.gz RSLAEWMJDPSZPS-IEQSHNCZSA-N 0 0 337.336 -0.968 10 0 EBAERN COC[C@@H](C)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000364441775 377158555 /nfs/dbraw/zinc/15/85/55/377158555.db2.gz OUDQECMDBMTJJD-OLZOCXBDSA-N 0 0 334.438 -0.078 10 0 EBAERN C[C@@H]1C(=O)NCCCN1C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000365004392 377181633 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CNC(=O)[C@H]1CC(=O)N(C2CN(c3nccn(CC(C)C)c3=O)C2)C1 ZINC000888099082 582605647 /nfs/dbraw/zinc/60/56/47/582605647.db2.gz RAVGMEFVGNJEOQ-LBPRGKRZSA-N 0 0 347.419 -0.318 10 0 EBAERN O=C(NC[C@H](O)CN1CCOCC1)c1cnn(-c2ccc(F)cc2)n1 ZINC000128111353 584560117 /nfs/dbraw/zinc/56/01/17/584560117.db2.gz PEWPOPXKVPYKFS-AWEZNQCLSA-N 0 0 349.366 -0.171 10 0 EBAERN CCCn1[nH]ccc1=NC(=O)CN1CCO[C@H](c2nncn2C)C1 ZINC000886068572 584655577 /nfs/dbraw/zinc/65/55/77/584655577.db2.gz HQPCLADBPJSQPG-LBPRGKRZSA-N 0 0 333.396 -0.145 10 0 EBAERN Cc1cnccc1CC(=O)N1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886080335 584655854 /nfs/dbraw/zinc/65/58/54/584655854.db2.gz MOPZNWSXXSPGIZ-QGZVFWFLSA-N 0 0 332.404 -0.279 10 0 EBAERN O=C(CNC(=O)c1ccc(Br)o1)N1CCOC[C@H]1CO ZINC000168514376 649978128 /nfs/dbraw/zinc/97/81/28/649978128.db2.gz OOWOAWQMWTYHGN-MRVPVSSYSA-N 0 0 347.165 -0.008 10 0 EBAERN Cc1c(CC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)ncn(C)c1=O ZINC000222945521 649983380 /nfs/dbraw/zinc/98/33/80/649983380.db2.gz CVFPGBIAPQYPBB-CQSZACIVSA-N 0 0 348.403 -0.519 10 0 EBAERN CCCS(=O)(=O)N1CCN(C(=O)c2cc3n(n2)CCO3)CC1 ZINC000223799437 649983428 /nfs/dbraw/zinc/98/34/28/649983428.db2.gz FMQUQZQKEUAIOO-UHFFFAOYSA-N 0 0 328.394 -0.227 10 0 EBAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000255143221 649984415 /nfs/dbraw/zinc/98/44/15/649984415.db2.gz KUMKZHWFTBHVGC-NTZNESFSSA-N 0 0 335.408 -0.211 10 0 EBAERN CN1CCO[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@@H]21 ZINC000328952544 649996661 /nfs/dbraw/zinc/99/66/61/649996661.db2.gz LZRQBOWZGHOUQM-KWCYVHTRSA-N 0 0 333.392 -0.306 10 0 EBAERN COCCOCC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702815208 650035625 /nfs/dbraw/zinc/03/56/25/650035625.db2.gz SSRBWEMZYFJXIR-RYUDHWBXSA-N 0 0 332.397 -0.007 10 0 EBAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)[C@@H]2COCCO2)C1 ZINC000702811455 650035826 /nfs/dbraw/zinc/03/58/26/650035826.db2.gz YBOSTIAJHMBSGK-WOPDTQHZSA-N 0 0 330.381 -0.254 10 0 EBAERN Cn1cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)nn1 ZINC000702802801 650035830 /nfs/dbraw/zinc/03/58/30/650035830.db2.gz AMMAEIXGKBKGGR-MWLCHTKSSA-N 0 0 325.369 -0.227 10 0 EBAERN Cn1ncc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)n1 ZINC000702811647 650035872 /nfs/dbraw/zinc/03/58/72/650035872.db2.gz ZNHMYJORCDEKFD-MWLCHTKSSA-N 0 0 325.369 -0.227 10 0 EBAERN Cc1nc(S(=O)(=O)N(C)[C@@H](C)C(N)=O)c(Br)n1C ZINC000711139841 650036363 /nfs/dbraw/zinc/03/63/63/650036363.db2.gz PZONPSJQAFXLCJ-YFKPBYRVSA-N 0 0 339.215 -0.015 10 0 EBAERN O=C(CN1CSCCSC1)N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000908106969 650096367 /nfs/dbraw/zinc/09/63/67/650096367.db2.gz YSYKMCBSOGBYOB-ZDUSSCGKSA-N 0 0 343.478 -0.062 10 0 EBAERN CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)CN1CCNC(=O)C1 ZINC000908109290 650096838 /nfs/dbraw/zinc/09/68/38/650096838.db2.gz JEZFRFSWQKIMFX-MGPQQGTHSA-N 0 0 325.409 -0.539 10 0 EBAERN COC1(OC)CCOC[C@H]1NC(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000912839491 650214707 /nfs/dbraw/zinc/21/47/07/650214707.db2.gz 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CC(C)(C)[C@]1(O)C[C@@H]2OC(=O)C[C@]23C(=O)O[C@@H]2OC(=O)[C@@H](O)[C@@]213 ZINC000021992834 212268323 /nfs/dbraw/zinc/26/83/23/212268323.db2.gz MOLPUWBMSBJXER-GNCXZRQFSA-N 0 0 326.301 -0.744 10 0 EBAERN C[C@H]1OCCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)[C@@H]1C(N)=O ZINC000285582119 375894662 /nfs/dbraw/zinc/89/46/62/375894662.db2.gz SQGUIGUDRZLIBZ-UZWSLXQKSA-N 0 0 337.376 -0.737 10 0 EBAERN Nc1ncnc2c1ncn2CC(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000268216448 375901558 /nfs/dbraw/zinc/90/15/58/375901558.db2.gz BJWUGFCNXWORKD-VHSXEESVSA-N 0 0 329.364 -0.322 10 0 EBAERN OC[C@H]1O[C@@H](Oc2c[nH]c3cc(Cl)ccc23)[C@H](O)[C@H](O)[C@H]1O ZINC000015206417 375988063 /nfs/dbraw/zinc/98/80/63/375988063.db2.gz OQWBAXBVBGNSPW-XVIXHAIJSA-N 0 0 329.736 0.000 10 0 EBAERN Cc1cnn(Cc2cc(C(=O)N3C[C@@H](C)O[C@H](C(N)=O)C3)no2)c1 ZINC000156650292 376090327 /nfs/dbraw/zinc/09/03/27/376090327.db2.gz OGXJSRATFPPKKO-MFKMUULPSA-N 0 0 333.348 -0.057 10 0 EBAERN COC(=O)C1(CS(=O)(=O)N2C[C@H]3OCCN(C)[C@H]3C2)CCC1 ZINC000360260052 376069284 /nfs/dbraw/zinc/06/92/84/376069284.db2.gz BNNILAXEGMWHAZ-NWDGAFQWSA-N 0 0 332.422 -0.326 10 0 EBAERN C=CC(=O)OCCOCCOCCOCCOCCOCCO ZINC000038985547 376080018 /nfs/dbraw/zinc/08/00/18/376080018.db2.gz UHBKLFLAVYCZEP-UHFFFAOYSA-N 0 0 336.381 -0.209 10 0 EBAERN CC[C@@H](CO)N1CCN(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000408015314 376281462 /nfs/dbraw/zinc/28/14/62/376281462.db2.gz BCDPWGKTLVWUGT-STQMWFEESA-N 0 0 333.454 -0.386 10 0 EBAERN C[C@H](O)CN1CCN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC000408015707 376281669 /nfs/dbraw/zinc/28/16/69/376281669.db2.gz CXDKSDWTZRUEEZ-RWMBFGLXSA-N 0 0 333.454 -0.388 10 0 EBAERN Cc1cc(N2CCC[C@@H](NC(=O)[C@@H]3CCNC(=O)C3)C2=O)n(C)n1 ZINC000407981786 376276747 /nfs/dbraw/zinc/27/67/47/376276747.db2.gz VOOZHDVFIPYYGF-VXGBXAGGSA-N 0 0 333.392 -0.134 10 0 EBAERN O=C(NC1CCOCC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000408020757 376283530 /nfs/dbraw/zinc/28/35/30/376283530.db2.gz MGTCGWKQCDSFKF-UHFFFAOYSA-N 0 0 343.405 -0.056 10 0 EBAERN COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N1C[C@H](F)C[C@H]1C(N)=O ZINC000408028117 376286249 /nfs/dbraw/zinc/28/62/49/376286249.db2.gz QHESSKNSELPULR-VPOLOUISSA-N 0 0 336.385 -0.054 10 0 EBAERN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1COCCN1C)CC2 ZINC000408037516 376287166 /nfs/dbraw/zinc/28/71/66/376287166.db2.gz AMVOKISEQGEACT-CQSZACIVSA-N 0 0 339.417 -0.186 10 0 EBAERN CCOC(=O)C1CCN(S(=O)(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)CC1 ZINC000408032285 376290736 /nfs/dbraw/zinc/29/07/36/376290736.db2.gz URSNFSFNGDCIQT-ZYHUDNBSSA-N 0 0 347.437 -0.441 10 0 EBAERN Cc1nc(C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)no1 ZINC000408049556 376294198 /nfs/dbraw/zinc/29/41/98/376294198.db2.gz BJEQTENSQMMYNJ-NSHDSACASA-N 0 0 337.380 -0.617 10 0 EBAERN CCNC(=O)N1CCN(C(=O)[C@@]2(O)CCCN(C(C)=O)C2)CC1 ZINC000408044212 376296341 /nfs/dbraw/zinc/29/63/41/376296341.db2.gz MWQLVMPKYXZQQL-OAHLLOKOSA-N 0 0 326.397 -0.767 10 0 EBAERN C[C@H]1C[C@@H](C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)CC(=O)N1 ZINC000408050444 376297680 /nfs/dbraw/zinc/29/76/80/376297680.db2.gz DJKZVQQASYYJQG-LOWDOPEQSA-N 0 0 341.383 -0.301 10 0 EBAERN CC(=O)N1CC[C@@H](C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)C1 ZINC000408046844 376297693 /nfs/dbraw/zinc/29/76/93/376297693.db2.gz NGRVEKKAWJXRJY-OLZOCXBDSA-N 0 0 331.438 -0.215 10 0 EBAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCN(CC(C)C)C(=O)C2)C1 ZINC000408056939 376299136 /nfs/dbraw/zinc/29/91/36/376299136.db2.gz NSCLDUAFLLMQHV-MRXNPFEDSA-N 0 0 325.409 -0.313 10 0 EBAERN CC(=O)N1CCC[C@](O)(C(=O)N(C)CCN2CCOC(C)(C)C2)C1 ZINC000408057992 376301430 /nfs/dbraw/zinc/30/14/30/376301430.db2.gz CSACQJCTIXNSFK-QGZVFWFLSA-N 0 0 341.452 -0.071 10 0 EBAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408066131 376302676 /nfs/dbraw/zinc/30/26/76/376302676.db2.gz UYZFRKBQRBPSAI-UYJHQMFVSA-N 0 0 340.420 -0.253 10 0 EBAERN CC[C@H]1C[C@@H](C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC(=O)N1 ZINC000408191365 376411765 /nfs/dbraw/zinc/41/17/65/376411765.db2.gz FMOVCRZATSDDFA-TUAOUCFPSA-N 0 0 331.438 -0.217 10 0 EBAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N[C@H](CC)C2)C1 ZINC000408203012 376419283 /nfs/dbraw/zinc/41/92/83/376419283.db2.gz OSJIIXICXDNWQR-IJLUTSLNSA-N 0 0 331.438 -0.169 10 0 EBAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 ZINC000408203358 376420083 /nfs/dbraw/zinc/42/00/83/376420083.db2.gz DCKNZQWXBRLJDF-DCQANWLSSA-N 0 0 347.437 -0.791 10 0 EBAERN C[C@H](CS(C)(=O)=O)NC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000361644672 376422341 /nfs/dbraw/zinc/42/23/41/376422341.db2.gz QITRBGWLGDHGIE-UPJWGTAASA-N 0 0 333.454 -0.218 10 0 EBAERN CC(=O)N[C@@H]1CCCN(C(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC000408101811 376366907 /nfs/dbraw/zinc/36/69/07/376366907.db2.gz ULWHRBILBBHFCK-MCIONIFRSA-N 0 0 340.424 -0.068 10 0 EBAERN Cc1nc(S(=O)(=O)NCC(=O)N2CCN(C)C[C@@H]2C)cn1C ZINC000408112972 376375346 /nfs/dbraw/zinc/37/53/46/376375346.db2.gz PDHBZZPRVRPHDF-JTQLQIEISA-N 0 0 329.426 -0.831 10 0 EBAERN COC(=O)[C@H]1CS(=O)(=O)CCN1CC(=O)N1CCC[C@@H](C)C1 ZINC000408229294 376433971 /nfs/dbraw/zinc/43/39/71/376433971.db2.gz POSRVUVUNSNVMG-VXGBXAGGSA-N 0 0 332.422 -0.483 10 0 EBAERN CC(=O)N1CCN(CCNS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)CC1 ZINC000408234784 376436127 /nfs/dbraw/zinc/43/61/27/376436127.db2.gz FTXMNGPCYBASFM-STQMWFEESA-N 0 0 348.469 -0.906 10 0 EBAERN O=C(Cn1nc2ccccn2c1=O)N1CCC[C@H](n2cncn2)C1 ZINC000105854110 376568414 /nfs/dbraw/zinc/56/84/14/376568414.db2.gz RJICSZJQALOKKL-LBPRGKRZSA-N 0 0 327.348 -0.049 10 0 EBAERN C[C@H](O)C1CCN(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CC1 ZINC000111286452 376629229 /nfs/dbraw/zinc/62/92/29/376629229.db2.gz LGBKNVTZGHMPMB-VIFPVBQESA-N 0 0 336.392 -0.271 10 0 EBAERN COC(=O)CN1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000408366922 376718089 /nfs/dbraw/zinc/71/80/89/376718089.db2.gz PQRDRENUUIQXDU-NWDGAFQWSA-N 0 0 335.426 -0.869 10 0 EBAERN CCNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CC1 ZINC000408396182 376723144 /nfs/dbraw/zinc/72/31/44/376723144.db2.gz XVRIFOOXLBBDIA-VXGBXAGGSA-N 0 0 334.442 -0.313 10 0 EBAERN CC(C)S(=O)(=O)N1CCC(NC(=O)NCC(=O)N(C)C)CC1 ZINC000408436861 376731383 /nfs/dbraw/zinc/73/13/83/376731383.db2.gz KREDIYJKZPPYFP-UHFFFAOYSA-N 0 0 334.442 -0.424 10 0 EBAERN O=C1NCCc2ccc(S(=O)(=O)N[C@@H]3CCc4ncnn4C3)cc21 ZINC000116348875 376697095 /nfs/dbraw/zinc/69/70/95/376697095.db2.gz KNUYLAVVZUQOOQ-LLVKDONJSA-N 0 0 347.400 -0.143 10 0 EBAERN Cn1c(=O)ccn(CC(=O)N[C@@H]2CCCN(c3cccnn3)C2)c1=O ZINC000125018224 376836271 /nfs/dbraw/zinc/83/62/71/376836271.db2.gz DSTKUFAMWHISJV-GFCCVEGCSA-N 0 0 344.375 -0.878 10 0 EBAERN O=C(CN1CCCS1(=O)=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408304690 376845305 /nfs/dbraw/zinc/84/53/05/376845305.db2.gz CFMWKCFNCKAHGO-JTQLQIEISA-N 0 0 330.328 -0.062 10 0 EBAERN CC(C)[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCOCC1 ZINC000408416846 376901221 /nfs/dbraw/zinc/90/12/21/376901221.db2.gz RBIABDYYJIYEMW-NEPJUHHUSA-N 0 0 332.422 -0.579 10 0 EBAERN NS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)CC(F)(F)F)C1 ZINC000408316319 376855459 /nfs/dbraw/zinc/85/54/59/376855459.db2.gz 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Cc1cc(C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)no1 ZINC000110007349 154089769 /nfs/dbraw/zinc/08/97/69/154089769.db2.gz NKMJSGFEIKAJRY-CYBMUJFWSA-N 0 0 336.392 -0.012 10 0 EBAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)CC2 ZINC000173767953 154101812 /nfs/dbraw/zinc/10/18/12/154101812.db2.gz NCOBRIBPDFVDSC-VIFPVBQESA-N 0 0 329.426 -0.401 10 0 EBAERN CCc1nnc(CN2CCN(S(=O)(=O)CCCOC)CC2)n1C ZINC000173405463 154102223 /nfs/dbraw/zinc/10/22/23/154102223.db2.gz OWBAARAHIIAFDR-UHFFFAOYSA-N 0 0 345.469 -0.139 10 0 EBAERN Cc1cc(N2CCC[C@@H](NC(=O)CN3CCCC3=O)C2=O)n(C)n1 ZINC000175002173 154105941 /nfs/dbraw/zinc/10/59/41/154105941.db2.gz GDANUDRJCSPZDW-GFCCVEGCSA-N 0 0 333.392 -0.037 10 0 EBAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cn(CC(N)=O)nn1)CC2 ZINC000174986763 154107064 /nfs/dbraw/zinc/10/70/64/154107064.db2.gz GOCPGUYXOMBJAL-VIFPVBQESA-N 0 0 332.368 -0.777 10 0 EBAERN Cc1nccn1C[C@H]1CCCN1C(=O)NCCNS(C)(=O)=O ZINC000175710539 154109075 /nfs/dbraw/zinc/10/90/75/154109075.db2.gz 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154120293 /nfs/dbraw/zinc/12/02/93/154120293.db2.gz LGWUKUDEDYROSF-AWEZNQCLSA-N 0 0 327.392 -0.544 10 0 EBAERN Cn1c2ccccc2n(CCC(=O)N2CCOC[C@@H]2C(N)=O)c1=O ZINC000180209608 154128032 /nfs/dbraw/zinc/12/80/32/154128032.db2.gz INZQOLDVKIZIIX-CYBMUJFWSA-N 0 0 332.360 -0.557 10 0 EBAERN Cn1cc([C@@H]2CNCCN2C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)cn1 ZINC000181347932 154129187 /nfs/dbraw/zinc/12/91/87/154129187.db2.gz SKJMZDWUINFGPQ-FZMZJTMJSA-N 0 0 343.391 -0.331 10 0 EBAERN NC(=O)Cn1cc(C(=O)N2CCCN(c3ccccn3)CC2)nn1 ZINC000186407351 154142570 /nfs/dbraw/zinc/14/25/70/154142570.db2.gz MNFWSZPBANCCJZ-UHFFFAOYSA-N 0 0 329.364 -0.489 10 0 EBAERN Cc1cc(N2CCN(C(=O)CCN3CCCS3(=O)=O)CC2)n[nH]1 ZINC000189730165 154151875 /nfs/dbraw/zinc/15/18/75/154151875.db2.gz ZVHXIBVHHSHGCU-UHFFFAOYSA-N 0 0 341.437 -0.208 10 0 EBAERN CCc1cc(NC(=O)C(=O)N2CCN(C[C@H](O)CC)CC2)n(C)n1 ZINC000189467029 154152409 /nfs/dbraw/zinc/15/24/09/154152409.db2.gz DLDSALZKOSVTJR-CYBMUJFWSA-N 0 0 337.424 -0.164 10 0 EBAERN O=C(NC[C@H]1CN(C2CC2)CCO1)c1cc2c(cn1)nc[nH]c2=O ZINC000189610249 154152449 /nfs/dbraw/zinc/15/24/49/154152449.db2.gz HNBKWTQYHMWKST-NSHDSACASA-N 0 0 329.360 -0.089 10 0 EBAERN CCn1c2ccc(C(=O)N3CC(NC(C)=O)C3)cc2[nH]c(=O)c1=O ZINC000191480375 154156584 /nfs/dbraw/zinc/15/65/84/154156584.db2.gz UOHZSMSQSICOCG-UHFFFAOYSA-N 0 0 330.344 -0.330 10 0 EBAERN CC(=O)NC1CN(C(=O)Cc2c(C)nc3c(c(=O)[nH]n3C)c2C)C1 ZINC000191496197 154156821 /nfs/dbraw/zinc/15/68/21/154156821.db2.gz UUMOTRDKQUNSHO-UHFFFAOYSA-N 0 0 331.376 -0.232 10 0 EBAERN Cn1nnc(CN2CCN(C[C@H](O)COc3ccccc3)CC2)n1 ZINC000192979332 154158802 /nfs/dbraw/zinc/15/88/02/154158802.db2.gz GOXDZXKUJDVBSN-AWEZNQCLSA-N 0 0 332.408 -0.232 10 0 EBAERN C[C@H](CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)N1CCOCC1 ZINC000193318975 154158829 /nfs/dbraw/zinc/15/88/29/154158829.db2.gz CZMHXBXVQCGJDS-SNVBAGLBSA-N 0 0 340.405 -0.145 10 0 EBAERN COCc1ccc(NC(=O)C(=O)NC[C@H]2CN3CCN2CC3)cc1 ZINC000193609635 154161243 /nfs/dbraw/zinc/16/12/43/154161243.db2.gz 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C[C@@H]1CN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C[C@H]1C(N)=O ZINC000284759049 154869427 /nfs/dbraw/zinc/86/94/27/154869427.db2.gz GAUBBRNAVCRVTL-GHMZBOCLSA-N 0 0 336.392 -0.179 10 0 EBAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCC[C@@H](Cn3ccnn3)C2)C1 ZINC000284838831 154873315 /nfs/dbraw/zinc/87/33/15/154873315.db2.gz JUAMSZXJPMAKQB-GDBMZVCRSA-N 0 0 335.408 -0.110 10 0 EBAERN CO[C@H]1C[C@H](C(=O)N2CCC[C@H]2C[C@H](C)O)N(S(C)(=O)=O)C1 ZINC000365532169 157515813 /nfs/dbraw/zinc/51/58/13/157515813.db2.gz BACICRRUHLFPQG-ZDEQEGDKSA-N 0 0 334.438 -0.203 10 0 EBAERN CC(=O)N1CSC[C@H]1C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000366481727 157531308 /nfs/dbraw/zinc/53/13/08/157531308.db2.gz UDBMKNSQKDLXJB-NEPJUHHUSA-N 0 0 349.478 -0.164 10 0 EBAERN CN(C)S(=O)(=O)c1cc(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)co1 ZINC000368106775 157558179 /nfs/dbraw/zinc/55/81/79/157558179.db2.gz BJVBGOVLIZAAIE-NWDGAFQWSA-N 0 0 343.405 -0.315 10 0 EBAERN CN(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@H](F)C[C@H]1CO ZINC000373207294 157641758 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C[C@H](CCS(C)(=O)=O)NS(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000408301505 419064293 /nfs/dbraw/zinc/06/42/93/419064293.db2.gz AWBLDWKZMRFHFI-VWYCJHECSA-N 0 0 328.456 -0.247 10 0 EBAERN CC(=O)N[C@@H]1CCCN([C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000407991737 419131142 /nfs/dbraw/zinc/13/11/42/419131142.db2.gz XSAKOOWXWUJTSY-IACUBPJLSA-N 0 0 345.465 -0.379 10 0 EBAERN CN1CCO[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2Cc2cncnc2)C1 ZINC000583623195 419150048 /nfs/dbraw/zinc/15/00/48/419150048.db2.gz YQRGDOOYWDPJEH-SOUVJXGZSA-N 0 0 337.399 -0.164 10 0 EBAERN Cn1cc(CN2CCN(C(=O)CN3CCCC[C@@H](O)C3=O)CC2)cn1 ZINC000644351432 419150925 /nfs/dbraw/zinc/15/09/25/419150925.db2.gz FJQIAUMFRFIQON-OAHLLOKOSA-N 0 0 349.435 -0.562 10 0 EBAERN Cn1ccnc1N1CCC(NC(=O)CN2CCCC[C@@H](O)C2=O)CC1 ZINC000644448226 419163114 /nfs/dbraw/zinc/16/31/14/419163114.db2.gz AZKDQGFVIZRHDQ-CQSZACIVSA-N 0 0 349.435 -0.122 10 0 EBAERN COCCN1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)C[C@@H]1C ZINC000408181337 419227332 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0 0 325.361 -0.199 10 0 EBAERN C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000332769731 381265845 /nfs/dbraw/zinc/26/58/45/381265845.db2.gz LKWDKZYMSLYVJH-MELADBBJSA-N 0 0 325.409 -0.539 10 0 EBAERN C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000584602230 381234018 /nfs/dbraw/zinc/23/40/18/381234018.db2.gz KCSJSWKNOVPZAO-HOTUBEGUSA-N 0 0 325.340 -0.211 10 0 EBAERN CC(=O)NCC(=O)NCC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105849876 381248097 /nfs/dbraw/zinc/24/80/97/381248097.db2.gz FAOIJTIMNSZVQE-ZDUSSCGKSA-N 0 0 335.408 -0.047 10 0 EBAERN CCn1nccc1N1CCC[C@@H](NC(=O)N[C@@H]2CCCNC2=O)C1=O ZINC000332963351 381272694 /nfs/dbraw/zinc/27/26/94/381272694.db2.gz HTFRKZKKSDJSAT-VXGBXAGGSA-N 0 0 348.407 -0.024 10 0 EBAERN C[C@H]1C[N@@H+](C2CCN(C(=O)Cn3[n-]c(=O)ccc3=O)CC2)CCO1 ZINC000124255275 381282445 /nfs/dbraw/zinc/28/24/45/381282445.db2.gz CMBCKTIFWNQBLX-LBPRGKRZSA-N 0 0 336.392 -0.752 10 0 EBAERN C[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)c1nnc2n1CCCC2 ZINC000135364819 381323603 /nfs/dbraw/zinc/32/36/03/381323603.db2.gz TYOBHDBOJZJRPJ-SNVBAGLBSA-N 0 0 346.395 -0.215 10 0 EBAERN O=C(NC[C@@H]1CN2CCN1CC2)C(=O)Nc1ccc2c(c1)COC2 ZINC000092332297 381876810 /nfs/dbraw/zinc/87/68/10/381876810.db2.gz ZVHZDDXSTQLWAN-OAHLLOKOSA-N 0 0 330.388 -0.229 10 0 EBAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1cccnc1N1CCOCC1 ZINC000333036587 381883184 /nfs/dbraw/zinc/88/31/84/381883184.db2.gz NNPSNZUZYHVEDS-GXTWGEPZSA-N 0 0 334.376 -0.162 10 0 EBAERN CNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c1 ZINC000352051660 381865301 /nfs/dbraw/zinc/86/53/01/381865301.db2.gz DOBSJJBCABUOMZ-ZIAGYGMSSA-N 0 0 339.417 -0.250 10 0 EBAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCCN(CC(F)F)CC2)C1 ZINC000091083501 381870708 /nfs/dbraw/zinc/87/07/08/381870708.db2.gz NKDROYTUSNKXHE-GFCCVEGCSA-N 0 0 332.395 -0.017 10 0 EBAERN CO[C@H]1C[C@H](C(=O)N[C@H]2CCCc3c[nH]nc32)N(S(C)(=O)=O)C1 ZINC000333386378 381914685 /nfs/dbraw/zinc/91/46/85/381914685.db2.gz GHIVDNBRNWOZNE-SDDRHHMPSA-N 0 0 342.421 -0.048 10 0 EBAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000333454672 381922511 /nfs/dbraw/zinc/92/25/11/381922511.db2.gz OJKMDUFAIZHAJW-HRCADAONSA-N 0 0 339.436 -0.319 10 0 EBAERN CC1(C)CN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C[C@H](CO)O1 ZINC000333712542 381953230 /nfs/dbraw/zinc/95/32/30/381953230.db2.gz IOSFEZFHPSYQCX-GRYCIOLGSA-N 0 0 325.369 -0.601 10 0 EBAERN NC(=O)[C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)O1 ZINC000370490247 382052559 /nfs/dbraw/zinc/05/25/59/382052559.db2.gz GPNHSNOBENJQHY-WOPDTQHZSA-N 0 0 341.433 -0.414 10 0 EBAERN NC(=O)[C@H]1CCCN(C(=O)Cn2nnn(-c3ccccc3)c2=O)C1 ZINC000031765163 382115991 /nfs/dbraw/zinc/11/59/91/382115991.db2.gz VWYNADGEEMUBCI-NSHDSACASA-N 0 0 330.348 -0.847 10 0 EBAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N[C@H]1CCc2ncnn2C1 ZINC000112659381 382120432 /nfs/dbraw/zinc/12/04/32/382120432.db2.gz IQQGCFSSOLANMV-SDDRHHMPSA-N 0 0 331.376 -0.116 10 0 EBAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000105889211 382095265 /nfs/dbraw/zinc/09/52/65/382095265.db2.gz TVUOGWKSRNITPX-UONOGXRCSA-N 0 0 335.408 -0.692 10 0 EBAERN OC[C@@H]1O[C@H](Oc2ccc(Br)cc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC000004984439 210349913 /nfs/dbraw/zinc/34/99/13/210349913.db2.gz XKNTYHQVRMHDHY-KNZXXDILSA-N 0 0 335.150 -0.372 10 0 EBAERN O=C1NC[C@H]2CN([C@@H]3CCc4ccccc4NC3=O)CCN2C1=O ZINC000248891400 296384473 /nfs/dbraw/zinc/38/44/73/296384473.db2.gz SDVYJLPCTJRUKU-GXTWGEPZSA-N 0 0 328.372 -0.418 10 0 EBAERN O=C(CN1CCS(=O)(=O)CC1)N1CCN[C@@H](c2cccnc2)C1 ZINC000328656352 155184246 /nfs/dbraw/zinc/18/42/46/155184246.db2.gz NTPMOKIPKLQXOS-CQSZACIVSA-N 0 0 338.433 -0.715 10 0 EBAERN Cn1cc(N2CC[C@@H](N3CCO[C@@H](Cn4cncn4)C3)C2=O)cn1 ZINC000328667818 155186892 /nfs/dbraw/zinc/18/68/92/155186892.db2.gz LBHARFNDIOYDMW-ZIAGYGMSSA-N 0 0 331.380 -0.482 10 0 EBAERN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@H]2CCOC2)CC1 ZINC000328637555 155185216 /nfs/dbraw/zinc/18/52/16/155185216.db2.gz CVTTYOZZAZUDMG-KGLIPLIRSA-N 0 0 325.409 -0.586 10 0 EBAERN CN1CCO[C@@H]2CCN(C(=O)CCC(=O)N3CCOCC3)C[C@H]21 ZINC000328905827 155194289 /nfs/dbraw/zinc/19/42/89/155194289.db2.gz KHAZJRYJAWFYQJ-ZIAGYGMSSA-N 0 0 325.409 -0.443 10 0 EBAERN Cn1nccc1[C@H]1[C@H](NCC(=O)N2CCN(C)CC2)CC(=O)N1C ZINC000329141110 155208148 /nfs/dbraw/zinc/20/81/48/155208148.db2.gz UBNSEWKELRUJCT-MLGOLLRUSA-N 0 0 334.424 -0.945 10 0 EBAERN Cc1c(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)nnn1-c1ccn(C)n1 ZINC000329181109 155209946 /nfs/dbraw/zinc/20/99/46/155209946.db2.gz OCFFOBOVFVXYFW-QWHCGFSZSA-N 0 0 345.407 -0.146 10 0 EBAERN C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)C[C@H]1N1CCOCC1 ZINC000329273942 155215259 /nfs/dbraw/zinc/21/52/59/155215259.db2.gz JCNYFZZPXSRTPY-TUVASFSCSA-N 0 0 339.436 -0.199 10 0 EBAERN CN(C[C@@H](O)CN1CCOCC1)C(=O)c1cnc2c(c1)ncn2C ZINC000329256835 155215339 /nfs/dbraw/zinc/21/53/39/155215339.db2.gz BREMMTOYBJSGHQ-CYBMUJFWSA-N 0 0 333.392 -0.267 10 0 EBAERN C[C@@H]1CN(C)CCN1C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000329303114 155217222 /nfs/dbraw/zinc/21/72/22/155217222.db2.gz WSHICUTUDHTAGO-AGIUHOORSA-N 0 0 343.449 -0.816 10 0 EBAERN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@H]2CCCOC2)CC1 ZINC000329359820 155219585 /nfs/dbraw/zinc/21/95/85/155219585.db2.gz HXENMWIVMLOQJB-LSDHHAIUSA-N 0 0 339.436 -0.196 10 0 EBAERN Cc1noc([C@H](C)N2CCN(C(=O)Cn3cccnc3=O)CC2)n1 ZINC000329347305 155220120 /nfs/dbraw/zinc/22/01/20/155220120.db2.gz DEGMZDRUAOFZQR-NSHDSACASA-N 0 0 332.364 -0.160 10 0 EBAERN C[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](Cn3cccn3)C2)C[C@@H](C)O1 ZINC000329356825 155220130 /nfs/dbraw/zinc/22/01/30/155220130.db2.gz HDJXUBZGDZKBSP-MCIONIFRSA-N 0 0 344.437 -0.062 10 0 EBAERN Cc1c([C@H]2[C@H](C(=O)N(C)[C@@H]3COC[C@H]3O)CC(=O)N2C)cnn1C ZINC000329359096 155220318 /nfs/dbraw/zinc/22/03/18/155220318.db2.gz GIBKMRJWUXUZRR-BPGGGUHBSA-N 0 0 336.392 -0.534 10 0 EBAERN O=C(CCN1CCCS1(=O)=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000329440712 155226652 /nfs/dbraw/zinc/22/66/52/155226652.db2.gz MYTCNJKNECTHPD-ZDUSSCGKSA-N 0 0 341.437 -0.058 10 0 EBAERN CN(C)C(=O)CN1CCC(NS(=O)(=O)NC2CCCC2)CC1 ZINC000329461489 155226740 /nfs/dbraw/zinc/22/67/40/155226740.db2.gz SLYOKMREBLTMJL-UHFFFAOYSA-N 0 0 332.470 -0.094 10 0 EBAERN COCCN1CCN(C(=O)CCN2CCCS2(=O)=O)C[C@@H]1C ZINC000329677204 155235405 /nfs/dbraw/zinc/23/54/05/155235405.db2.gz WOSNKRAYOHJAKT-ZDUSSCGKSA-N 0 0 333.454 -0.409 10 0 EBAERN C[C@@H](C(=O)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1)N1CCN(C)CC1 ZINC000329691632 155235816 /nfs/dbraw/zinc/23/58/16/155235816.db2.gz ZSGUIBNPYBZPJX-STQMWFEESA-N 0 0 348.451 -0.150 10 0 EBAERN NC(=O)[C@H]1COCCN1C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000329714063 155237771 /nfs/dbraw/zinc/23/77/71/155237771.db2.gz SLABWYQBEMTDKU-UTUOFQBUSA-N 0 0 341.364 -0.845 10 0 EBAERN CN1CN(C(=O)C2CCC(C(=O)N3CC(=O)N(C)C3)CC2)CC1=O ZINC000329784447 155239312 /nfs/dbraw/zinc/23/93/12/155239312.db2.gz PGXCZRMOMCXFLU-UHFFFAOYSA-N 0 0 336.392 -0.691 10 0 EBAERN CO[C@H]1C[C@H](C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)N(C(C)=O)C1 ZINC000329902982 155245619 /nfs/dbraw/zinc/24/56/19/155245619.db2.gz PVCLNBQDXQKKEM-HNKHHVNMSA-N 0 0 339.436 -0.199 10 0 EBAERN C[C@@H]1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)C[C@@H]1O ZINC000329956415 155247797 /nfs/dbraw/zinc/24/77/97/155247797.db2.gz PMVARJAODDDOJR-UEEZHKSASA-N 0 0 336.392 -0.452 10 0 EBAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCN(c2nc(C)ns2)CC1 ZINC000330290668 155263546 /nfs/dbraw/zinc/26/35/46/155263546.db2.gz GANDIOZBPOVFJJ-NWDGAFQWSA-N 0 0 339.421 -0.523 10 0 EBAERN Cc1nn(C)c(C)c1[C@H]1[C@H](NCC(=O)N2CCOCC2)CC(=O)N1C ZINC000330355644 155265002 /nfs/dbraw/zinc/26/50/02/155265002.db2.gz QTNTXHNREZXXNS-CXAGYDPISA-N 0 0 349.435 -0.243 10 0 EBAERN Cc1nn(C)cc1C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000113181958 154089862 /nfs/dbraw/zinc/08/98/62/154089862.db2.gz JJYXAEKDNFABDG-AWEZNQCLSA-N 0 0 349.435 -0.266 10 0 EBAERN Cc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)CC2 ZINC000171337699 154094688 /nfs/dbraw/zinc/09/46/88/154094688.db2.gz YZMWRCVLWGYLOI-NEPJUHHUSA-N 0 0 341.437 -0.311 10 0 EBAERN O=C(Cn1nc2ccccn2c1=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172749244 154098999 /nfs/dbraw/zinc/09/89/99/154098999.db2.gz KGWREODYFKBARD-CYBMUJFWSA-N 0 0 331.376 -0.571 10 0 EBAERN Cn1cc([C@H]2CCN(CCNS(=O)(=O)c3cnn(C)c3)C2)cn1 ZINC000173761647 154100510 /nfs/dbraw/zinc/10/05/10/154100510.db2.gz IIKOTAQZTYTIAV-LBPRGKRZSA-N 0 0 338.437 -0.079 10 0 EBAERN Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3CN(C)CCO3)C2=O)n(C)n1 ZINC000173450042 154101904 /nfs/dbraw/zinc/10/19/04/154101904.db2.gz HPRSJQKJSRDBLN-STQMWFEESA-N 0 0 335.408 -0.329 10 0 EBAERN Cn1cc(N2CCN(C(=O)N[C@@H]3CCc4ncnn4C3)CC2)cn1 ZINC000174277086 154103505 /nfs/dbraw/zinc/10/35/05/154103505.db2.gz HECNMZGWFIXEIQ-GFCCVEGCSA-N 0 0 330.396 -0.142 10 0 EBAERN CC(C)(NS(C)(=O)=O)C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000173856214 154103724 /nfs/dbraw/zinc/10/37/24/154103724.db2.gz WBXSGGXSBSCFGJ-NSHDSACASA-N 0 0 329.426 -0.156 10 0 EBAERN Cc1cnn(CCNC(=O)N(C)C[C@H](O)CN2CCOCC2)c1 ZINC000175793191 154108583 /nfs/dbraw/zinc/10/85/83/154108583.db2.gz PINVSJJZQLPQKP-AWEZNQCLSA-N 0 0 325.413 -0.474 10 0 EBAERN Cc1nccn1C[C@@H]1CCCN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC000177173288 154113181 /nfs/dbraw/zinc/11/31/81/154113181.db2.gz SKVOICDKQZEPSI-ZDUSSCGKSA-N 0 0 331.376 -0.257 10 0 EBAERN O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000178227382 154115526 /nfs/dbraw/zinc/11/55/26/154115526.db2.gz MNOUXSCDSCAUHT-GXTWGEPZSA-N 0 0 344.375 -0.113 10 0 EBAERN CN(C)c1ccccc1NC(=O)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000178957640 154123008 /nfs/dbraw/zinc/12/30/08/154123008.db2.gz UVVQLULBCACEHR-ZDUSSCGKSA-N 0 0 331.420 -0.193 10 0 EBAERN Cc1nn(C)cc1NC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000179152016 154123045 /nfs/dbraw/zinc/12/30/45/154123045.db2.gz LTVRXTNZCZIMRM-UHFFFAOYSA-N 0 0 331.380 -0.251 10 0 EBAERN Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)Cn1ncn(C)c1=O ZINC000184344304 154137177 /nfs/dbraw/zinc/13/71/77/154137177.db2.gz GAYVSPRVQBIJMF-AWEZNQCLSA-N 0 0 347.350 -0.271 10 0 EBAERN C[C@@H](O)CN1CCN(C(=O)c2cn(CC3(C)COC3)nn2)C[C@@H]1C ZINC000185238860 154140875 /nfs/dbraw/zinc/14/08/75/154140875.db2.gz CZYQSFSYENXZGQ-QWHCGFSZSA-N 0 0 337.424 -0.158 10 0 EBAERN C[C@@H]1CN(CCN2CCN(c3ccc4nncn4n3)CC2)CCO1 ZINC000191482483 154156688 /nfs/dbraw/zinc/15/66/88/154156688.db2.gz MFZYHZKURUFXCL-CQSZACIVSA-N 0 0 331.424 -0.033 10 0 EBAERN Cn1cnnc1[C@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000193894234 154161550 /nfs/dbraw/zinc/16/15/50/154161550.db2.gz RECYOAXLKXHISH-NSHDSACASA-N 0 0 332.364 -0.918 10 0 EBAERN C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000194865394 154163601 /nfs/dbraw/zinc/16/36/01/154163601.db2.gz UDPSUMXBRAIECJ-KBPBESRZSA-N 0 0 336.436 -0.332 10 0 EBAERN CCN(CC)C(=O)CN1CCCN(C(=O)[C@@H]2COCCN2)CC1 ZINC000237027413 154168991 /nfs/dbraw/zinc/16/89/91/154168991.db2.gz XXENQRQSJOOFHO-AWEZNQCLSA-N 0 0 326.441 -0.623 10 0 EBAERN CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000246066967 154179653 /nfs/dbraw/zinc/17/96/53/154179653.db2.gz BWKWVGMEBBKUPE-QWRGUYRKSA-N 0 0 327.410 -0.099 10 0 EBAERN Cn1ccc(N2CCC[C@H](N3CC[C@@H](NS(C)(=O)=O)C3)C2=O)n1 ZINC000247491261 154186067 /nfs/dbraw/zinc/18/60/67/154186067.db2.gz KYXWBMDARQEOII-NEPJUHHUSA-N 0 0 341.437 -0.461 10 0 EBAERN O=C1NC[C@H]2CN(C[C@@H](O)c3ccc(F)cc3F)CCN2C1=O ZINC000248152740 154188710 /nfs/dbraw/zinc/18/87/10/154188710.db2.gz QYHUCCSLUPXPEC-GXFFZTMASA-N 0 0 325.315 -0.359 10 0 EBAERN C[C@H](O)CN1CCN(C(=O)c2cn(CC3(C)COC3)nn2)C[C@H]1C ZINC000248422799 154190327 /nfs/dbraw/zinc/19/03/27/154190327.db2.gz CZYQSFSYENXZGQ-OLZOCXBDSA-N 0 0 337.424 -0.158 10 0 EBAERN CNC(=O)[C@H](NC(=O)CN1CCCNC(=O)[C@H]1C)c1ccccc1 ZINC000248990478 154191460 /nfs/dbraw/zinc/19/14/60/154191460.db2.gz FQVIOFASHLRDQQ-IUODEOHRSA-N 0 0 332.404 -0.200 10 0 EBAERN CS(=O)(=O)CCS(=O)(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000250936888 154194662 /nfs/dbraw/zinc/19/46/62/154194662.db2.gz GMUUAMPEBMUXNP-NWDGAFQWSA-N 0 0 325.452 -0.012 10 0 EBAERN O=C(Cn1cnc(NC(=O)[C@@H]2COCCN2)n1)NCc1ccccc1 ZINC000262608327 154239341 /nfs/dbraw/zinc/23/93/41/154239341.db2.gz HMZSOPBBFMGVKK-ZDUSSCGKSA-N 0 0 344.375 -0.479 10 0 EBAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CN2CCCS2(=O)=O)C1 ZINC000262831715 154248724 /nfs/dbraw/zinc/24/87/24/154248724.db2.gz RPGORNPKHSUKKB-UHFFFAOYSA-N 0 0 333.410 -0.924 10 0 EBAERN O=C(N1CCN(c2ccc3nncn3n2)CC1)[C@@]1(O)CCSC1 ZINC000270969329 154508510 /nfs/dbraw/zinc/50/85/10/154508510.db2.gz JFCKEGWJSXZSAG-CQSZACIVSA-N 0 0 334.405 -0.359 10 0 EBAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000285991919 154903107 /nfs/dbraw/zinc/90/31/07/154903107.db2.gz PHDHUOPPIPIKPZ-INIZCTEOSA-N 0 0 333.392 -0.501 10 0 EBAERN CO[C@H]1C[C@H](C(=O)NC(C)(C)c2noc(C)n2)N(S(C)(=O)=O)C1 ZINC000333555251 155521254 /nfs/dbraw/zinc/52/12/54/155521254.db2.gz NGTDDXGXTKLCJZ-VHSXEESVSA-N 0 0 346.409 -0.222 10 0 EBAERN C[C@H]1NC(=O)N(CCN2CC(S(=O)(=O)NC3CCCC3)C2)C1=O ZINC000333683407 155526481 /nfs/dbraw/zinc/52/64/81/155526481.db2.gz BBZGASPCEPWPIE-SNVBAGLBSA-N 0 0 344.437 -0.527 10 0 EBAERN CO[C@@H]1C[C@@H](CO)N(C(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)C1 ZINC000345478029 156335927 /nfs/dbraw/zinc/33/59/27/156335927.db2.gz SMRYQXYBONLZOF-SDDRHHMPSA-N 0 0 339.392 -0.152 10 0 EBAERN CS(=O)(=O)N[C@H]1CCO[C@]2(CCN(C(=O)c3cnoc3)C2)C1 ZINC000096110907 286623324 /nfs/dbraw/zinc/62/33/24/286623324.db2.gz IHPMKCOHJOQANL-WCQYABFASA-N 0 0 329.378 -0.013 10 0 EBAERN Cn1nc(Br)cc1C(=O)N[C@]1(C(N)=O)CCCOC1 ZINC000364764950 157504275 /nfs/dbraw/zinc/50/42/75/157504275.db2.gz RATCKFSYEFQOQE-LLVKDONJSA-N 0 0 331.170 -0.053 10 0 EBAERN CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)[C@@H]1CCCCC(=O)N1 ZINC000366054394 157523927 /nfs/dbraw/zinc/52/39/27/157523927.db2.gz CMROPCWZHYTMBM-TUAOUCFPSA-N 0 0 331.438 -0.121 10 0 EBAERN CN(C)C(=O)c1cc(S(=O)(=O)N2CC(=O)NCC2(C)C)cn1C ZINC000407960220 157699700 /nfs/dbraw/zinc/69/97/00/157699700.db2.gz YMYAAAWAJBRLPG-UHFFFAOYSA-N 0 0 342.421 -0.374 10 0 EBAERN CNC(=O)[C@H]1CCCN1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000407988849 157701840 /nfs/dbraw/zinc/70/18/40/157701840.db2.gz GSGXUQNGJHHGFF-GFCCVEGCSA-N 0 0 346.453 -0.422 10 0 EBAERN O=C(N1CCCC1)[C@]1(O)CCCN(S(=O)(=O)C[C@H]2CCOC2)C1 ZINC000408030805 157706042 /nfs/dbraw/zinc/70/60/42/157706042.db2.gz IDLUTBWWBKXVML-ZFWWWQNUSA-N 0 0 346.449 -0.198 10 0 EBAERN CCN1CCOC[C@H]1C(=O)NC1CCC(C(=O)NC(N)=O)CC1 ZINC000408103872 157710480 /nfs/dbraw/zinc/71/04/80/157710480.db2.gz NTKGGKICYIHPBE-MCIGGMRASA-N 0 0 326.397 -0.423 10 0 EBAERN O=C(CN1CCS(=O)(=O)CC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000408350487 157721952 /nfs/dbraw/zinc/72/19/52/157721952.db2.gz RGNZNBLYAWOWFM-DZGCQCFKSA-N 0 0 330.450 -0.130 10 0 EBAERN CO[C@H]1CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C[C@@H]1OC ZINC000408357164 157722926 /nfs/dbraw/zinc/72/29/26/157722926.db2.gz VREJSJFYMVTMFU-QWRGUYRKSA-N 0 0 325.365 -0.277 10 0 EBAERN CCS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262156369 286691280 /nfs/dbraw/zinc/69/12/80/286691280.db2.gz IAOOFCRZKASWMG-GWCFXTLKSA-N 0 0 327.406 -0.242 10 0 EBAERN CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1)N1CCCS1(=O)=O ZINC000408052928 419001069 /nfs/dbraw/zinc/00/10/69/419001069.db2.gz DOLPBMLXGARHAP-UTUOFQBUSA-N 0 0 331.438 -0.374 10 0 EBAERN CCOC(=O)C1CCN(S(=O)(=O)N2CCO[C@@H](CO)C2)CC1 ZINC000317912446 419071045 /nfs/dbraw/zinc/07/10/45/419071045.db2.gz RLLPWAUFDSRKTI-GFCCVEGCSA-N 0 0 336.410 -0.801 10 0 EBAERN COCCN1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C[C@@H]1C ZINC000248369414 419074291 /nfs/dbraw/zinc/07/42/91/419074291.db2.gz WFVKAEXNVLSJKE-STQMWFEESA-N 0 0 335.408 -0.058 10 0 EBAERN CNC(=O)[C@@H]1CCCN1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000407988850 419130051 /nfs/dbraw/zinc/13/00/51/419130051.db2.gz GSGXUQNGJHHGFF-LBPRGKRZSA-N 0 0 346.453 -0.422 10 0 EBAERN Cc1oc(C(=O)N2CCO[C@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC000408001227 419132125 /nfs/dbraw/zinc/13/21/25/419132125.db2.gz BJCAZEYUGAHEQM-JTQLQIEISA-N 0 0 332.378 -0.328 10 0 EBAERN CCS(=O)(=O)C[C@H](C)NS(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000408001531 419132302 /nfs/dbraw/zinc/13/23/02/419132302.db2.gz BCDILRGRTLUGSC-HBNTYKKESA-N 0 0 328.456 -0.247 10 0 EBAERN CNS(=O)(=O)c1cc(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)co1 ZINC000407998558 419132578 /nfs/dbraw/zinc/13/25/78/419132578.db2.gz QZJDUAFQFOBDQY-GHMZBOCLSA-N 0 0 329.378 -0.657 10 0 EBAERN CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)CC1 ZINC000407998983 419132792 /nfs/dbraw/zinc/13/27/92/419132792.db2.gz UDRWWZCMNJLJDL-NSHDSACASA-N 0 0 348.407 -0.895 10 0 EBAERN Cc1cc2c(cc1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(N)=O)OCO2 ZINC000408030632 419135551 /nfs/dbraw/zinc/13/55/51/419135551.db2.gz MKHJKMCUVGLFTP-RNCFNFMXSA-N 0 0 342.373 -0.013 10 0 EBAERN CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H]2CN(C)CCO2)ncn1 ZINC000173418767 419137900 /nfs/dbraw/zinc/13/79/00/419137900.db2.gz OZDRNXMKUSXUBU-STQMWFEESA-N 0 0 334.424 -0.066 10 0 EBAERN CCN(C(=O)CN1CC[S@](=O)[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000408211204 419241373 /nfs/dbraw/zinc/24/13/73/419241373.db2.gz NFXXCFUKDHNDHT-HTGLOVNISA-N 0 0 336.479 -0.525 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000329703381 419571937 /nfs/dbraw/zinc/57/19/37/419571937.db2.gz IHNZLNXLLUAEIZ-HZSPNIEDSA-N 0 0 345.465 -0.268 10 0 EBAERN O=S(=O)(CCc1cccs1)NC[C@@H](O)CN1CCOCC1 ZINC000195398627 420524773 /nfs/dbraw/zinc/52/47/73/420524773.db2.gz HTLVFVMIQYOHQB-GFCCVEGCSA-N 0 0 334.463 -0.097 10 0 EBAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000130384301 420951365 /nfs/dbraw/zinc/95/13/65/420951365.db2.gz SCOYQPAMYFETRF-NXEZZACHSA-N 0 0 332.360 -0.118 10 0 EBAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCC(Nc3cccnn3)CC2)C1 ZINC000408051241 421189129 /nfs/dbraw/zinc/18/91/29/421189129.db2.gz OCBNWGPRANHXPT-KRWDZBQOSA-N 0 0 347.419 0.253 10 0 EBAERN Cn1nc(C(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)ccc1=O ZINC000408242542 264689927 /nfs/dbraw/zinc/68/99/27/264689927.db2.gz VPMGOVDSQUBNJU-ZJUUUORDSA-N 0 0 328.394 -0.630 10 0 EBAERN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NS(=O)(=O)C[C@H]1CCCO1 ZINC000408241959 264690115 /nfs/dbraw/zinc/69/01/15/264690115.db2.gz OORFSQPJZOVDAC-UTUOFQBUSA-N 0 0 340.467 -0.055 10 0 EBAERN CN1CCO[C@@H]2CN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C[C@H]21 ZINC000432750385 265179612 /nfs/dbraw/zinc/17/96/12/265179612.db2.gz YFFGSOAPOLYKRF-UTUOFQBUSA-N 0 0 333.454 -0.508 10 0 EBAERN CC(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000357205057 278073650 /nfs/dbraw/zinc/07/36/50/278073650.db2.gz KUUNKFLJUFTQAV-OSRDXIQISA-N 0 0 341.452 -0.028 10 0 EBAERN C[C@H](C(=O)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1)N1CCN(C)CC1 ZINC000329691628 279194492 /nfs/dbraw/zinc/19/44/92/279194492.db2.gz ZSGUIBNPYBZPJX-CHWSQXEVSA-N 0 0 348.451 -0.150 10 0 EBAERN CN(C)S(=O)(=O)CC(=O)N1CCN(C)[C@H](c2nccn2C)C1 ZINC000408395293 289229327 /nfs/dbraw/zinc/22/93/27/289229327.db2.gz TXPRYQISPRPPQT-NSHDSACASA-N 0 0 329.426 -0.873 10 0 EBAERN CN(C)S(=O)(=O)CCC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000408059210 289232622 /nfs/dbraw/zinc/23/26/22/289232622.db2.gz ABEXAQRHRXHWKL-UPJWGTAASA-N 0 0 334.438 -0.344 10 0 EBAERN CN1CCO[C@H]2CCN(S(=O)(=O)N3CCOC(C)(C)C3)C[C@@H]21 ZINC000328872419 290114661 /nfs/dbraw/zinc/11/46/61/290114661.db2.gz IRUAPPTUJBMMTB-STQMWFEESA-N 0 0 333.454 -0.253 10 0 EBAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2COCCN2CC(F)(F)F)C1 ZINC000367007778 303337936 /nfs/dbraw/zinc/33/79/36/303337936.db2.gz CPDVRJWSGLEQPH-CABZTGNLSA-N 0 0 339.314 -0.912 10 0 EBAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2COCCN2CC(F)(F)F)C1 ZINC000367007780 303337977 /nfs/dbraw/zinc/33/79/77/303337977.db2.gz CPDVRJWSGLEQPH-SKDRFNHKSA-N 0 0 339.314 -0.912 10 0 EBAERN CCN1CCN(CC(=O)N2CCC(c3cc[nH]n3)CC2)C(=O)C1=O ZINC000125790798 521672936 /nfs/dbraw/zinc/67/29/36/521672936.db2.gz LRTYXZBWQSMLBS-UHFFFAOYSA-N 0 0 333.392 -0.194 10 0 EBAERN CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCO[C@H](CO)C1 ZINC000167487960 521683325 /nfs/dbraw/zinc/68/33/25/521683325.db2.gz WIXWNAPLGKIZPJ-QWRGUYRKSA-N 0 0 340.467 -0.733 10 0 EBAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000151296994 522509904 /nfs/dbraw/zinc/50/99/04/522509904.db2.gz CRWVTJTZRADDFV-JTQLQIEISA-N 0 0 332.364 -0.648 10 0 EBAERN CN(CCCNC(=O)CN1CCOC[C@@H]1C(N)=O)c1ccccc1 ZINC000092229454 522757461 /nfs/dbraw/zinc/75/74/61/522757461.db2.gz NYCGSKVRLFNGJD-OAHLLOKOSA-N 0 0 334.420 -0.185 10 0 EBAERN C[C@@H](C(=O)NC1CCCC1)N1CCN(Cc2nc(N)nc(N)n2)CC1 ZINC000103492003 524164217 /nfs/dbraw/zinc/16/42/17/524164217.db2.gz LPASRFVBYAAFRQ-NSHDSACASA-N 0 0 348.455 -0.399 10 0 EBAERN C[C@H](NC(=O)CN1CCCS1(=O)=O)c1nnc2n1CCCC2 ZINC000135371476 524951543 /nfs/dbraw/zinc/95/15/43/524951543.db2.gz GRMCVHORHNTIJM-JTQLQIEISA-N 0 0 327.410 -0.173 10 0 EBAERN Cn1ccnc(N2CCC[C@@H](NC(=O)C3=NN(C)C(=O)CC3)C2)c1=O ZINC000275652618 527413849 /nfs/dbraw/zinc/41/38/49/527413849.db2.gz KSSWASKBIKPEDT-LLVKDONJSA-N 0 0 346.391 -0.527 10 0 EBAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCSc1nnnn1C)CC2 ZINC000114866888 545670785 /nfs/dbraw/zinc/67/07/85/545670785.db2.gz HDPPOBHTZMREQD-VIFPVBQESA-N 0 0 336.425 -0.023 10 0 EBAERN CC(C)C(=O)N1CCC[C@H]1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000332754035 545845696 /nfs/dbraw/zinc/84/56/96/545845696.db2.gz IWWRBPBGZZTQAI-KBPBESRZSA-N 0 0 327.425 -0.557 10 0 EBAERN O=C(NC[C@@H](O)CN1CCOCC1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000332766793 545845757 /nfs/dbraw/zinc/84/57/57/545845757.db2.gz VVJQVQDSSCVBDM-HUUCEWRRSA-N 0 0 339.436 -0.556 10 0 EBAERN Cn1ncc2c1C[C@@H](C(=O)NC[C@](C)(O)CN1CCOCC1)CC2 ZINC000332679505 545845897 /nfs/dbraw/zinc/84/58/97/545845897.db2.gz DKWCCKCGFTYKBS-GUYCJALGSA-N 0 0 336.436 -0.276 10 0 EBAERN O=C(N1CCS(=O)(=O)CC1)N1CCO[C@H](COCC2CC2)C1 ZINC000333009446 545854704 /nfs/dbraw/zinc/85/47/04/545854704.db2.gz FNHHUVFUYRFMGS-ZDUSSCGKSA-N 0 0 332.422 -0.036 10 0 EBAERN Cc1cnc(NC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)o1 ZINC000333181629 545857230 /nfs/dbraw/zinc/85/72/30/545857230.db2.gz SBPVAOZQHNBLAT-UHFFFAOYSA-N 0 0 329.382 -0.566 10 0 EBAERN Cn1nccc1N1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC000333505440 545862850 /nfs/dbraw/zinc/86/28/50/545862850.db2.gz DIMZJIQDXMTATA-CYBMUJFWSA-N 0 0 334.424 -0.721 10 0 EBAERN O=C(N[C@@H]1CCc2n[nH]cc2C1)c1cnc(Cn2cncn2)[nH]c1=O ZINC000091951377 545923591 /nfs/dbraw/zinc/92/35/91/545923591.db2.gz ITXJSTKVXDBSCY-SNVBAGLBSA-N 0 0 340.347 -0.168 10 0 EBAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000177686060 546413361 /nfs/dbraw/zinc/41/33/61/546413361.db2.gz PYIRAGJTOFHCJS-GHMZBOCLSA-N 0 0 327.410 -0.038 10 0 EBAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000177686036 546413457 /nfs/dbraw/zinc/41/34/57/546413457.db2.gz PYIRAGJTOFHCJS-MNOVXSKESA-N 0 0 327.410 -0.038 10 0 EBAERN CNC(=O)[C@H]([NH2+]CC(=O)N[C@@H](C)C(=O)N1CCCCC1)C(C)C ZINC000183678371 546413462 /nfs/dbraw/zinc/41/34/62/546413462.db2.gz HTFBJGVEHULAIF-GXTWGEPZSA-N 0 0 326.441 -0.136 10 0 EBAERN CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@@H](NC(N)=[NH2+])C[C@@H](C(=O)[O-])[C@H]1O ZINC000096030382 581097094 /nfs/dbraw/zinc/09/70/94/581097094.db2.gz XRQDFNLINLXZLB-QNWJLWSRSA-N 0 0 328.413 -0.139 10 0 EBAERN Cc1ccn(CC(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)c(=O)c1 ZINC000888093587 582605093 /nfs/dbraw/zinc/60/50/93/582605093.db2.gz ITAULCMQTSSWRE-UONOGXRCSA-N 0 0 332.360 -0.147 10 0 EBAERN Cn1nc(C[C@H]2CCCC[C@H]2NC(=O)CN2CCCC2=O)n(C)c1=O ZINC000888099035 582605730 /nfs/dbraw/zinc/60/57/30/582605730.db2.gz PTQUALPMCXSBPI-CHWSQXEVSA-N 0 0 349.435 -0.041 10 0 EBAERN Cn1cc(N2CCC[C@@H](NC(=O)c3cn(C)c(=O)n3C)C2=O)cn1 ZINC000900832183 582783525 /nfs/dbraw/zinc/78/35/25/582783525.db2.gz OFPDXXTWRPFTDH-LLVKDONJSA-N 0 0 332.364 -0.617 10 0 EBAERN O=C([O-])[C@H]1C[NH2+]C[C@H]1c1ccc(S(=O)(=O)N2CCNCC2)cc1 ZINC000757193121 583660070 /nfs/dbraw/zinc/66/00/70/583660070.db2.gz VPAPBOJAPQACCH-KBPBESRZSA-N 0 0 339.417 -0.332 10 0 EBAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cnn3c2OCCC3)cn1 ZINC000862921805 584360750 /nfs/dbraw/zinc/36/07/50/584360750.db2.gz GRJMSFIOBLSBPJ-QWHCGFSZSA-N 0 0 333.348 -0.025 10 0 EBAERN CCN1CCO[C@@H](CNC(=O)CCn2cncn2)[C@@H]1c1ccnn1C ZINC000886066138 584655609 /nfs/dbraw/zinc/65/56/09/584655609.db2.gz PLOWQRQIRQRTHB-HOCLYGCPSA-N 0 0 347.423 -0.020 10 0 EBAERN Cc1noc(C[C@@]2(O)CCCN(CCS(=O)(=O)N(C)C)C2)n1 ZINC000886079200 584655842 /nfs/dbraw/zinc/65/58/42/584655842.db2.gz BGGMACCMIXIIQL-ZDUSSCGKSA-N 0 0 332.426 -0.361 10 0 EBAERN Cn1nc(C(=O)N2CCN([C@@]3(C(N)=O)CCOC3)CC2)cc1C1CC1 ZINC000886097145 584656114 /nfs/dbraw/zinc/65/61/14/584656114.db2.gz WSXIEGBOJWYGIY-KRWDZBQOSA-N 0 0 347.419 -0.300 10 0 EBAERN C[C@H](CNC(=O)N1CCN(c2cnn(C)c2)CC1)N1CCOCC1 ZINC000074850694 584667346 /nfs/dbraw/zinc/66/73/46/584667346.db2.gz KNQASOUFUWUBKH-CQSZACIVSA-N 0 0 336.440 -0.028 10 0 EBAERN CNC(=O)[C@@]1(COC)CCCN1S(=O)(=O)c1cnn(C)c1C ZINC000643704683 650026685 /nfs/dbraw/zinc/02/66/85/650026685.db2.gz XQKFVSXKZWUOGC-ZDUSSCGKSA-N 0 0 330.410 -0.356 10 0 EBAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)CN2CCCC2=O)C1 ZINC000702842178 650035619 /nfs/dbraw/zinc/03/56/19/650035619.db2.gz MAHORUIXSYVJSK-NEPJUHHUSA-N 0 0 341.408 -0.047 10 0 EBAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2cncn2)C1 ZINC000702811566 650035631 /nfs/dbraw/zinc/03/56/31/650035631.db2.gz ZAENBQLAEARQOK-WDEREUQCSA-N 0 0 325.369 -0.378 10 0 EBAERN CC(C)(C)OC(=O)N1C[C@H](CNS(=O)(=O)NC2CC2)[C@H](O)C1 ZINC000702841771 650035655 /nfs/dbraw/zinc/03/56/55/650035655.db2.gz JZYFWXBLPNQXGW-GXSJLCMTSA-N 0 0 335.426 -0.199 10 0 EBAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC000702806448 650035728 /nfs/dbraw/zinc/03/57/28/650035728.db2.gz MAYNVXYGZKOWLM-UWVGGRQHSA-N 0 0 326.357 -0.983 10 0 EBAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNS(=O)(=O)c2c[nH]cn2)C1 ZINC000702840949 650035842 /nfs/dbraw/zinc/03/58/42/650035842.db2.gz DTSYZVSJCGDYIZ-UWVGGRQHSA-N 0 0 346.409 -0.084 10 0 EBAERN CN1CCN(C(=O)CN2CCNC(=O)C2)C[C@@H]1c1nc(C2CC2)no1 ZINC000908091960 650096058 /nfs/dbraw/zinc/09/60/58/650096058.db2.gz AAYMWOCHPZCOTO-GFCCVEGCSA-N 0 0 348.407 -0.806 10 0 EBAERN CC(C)C[C@@H]1C(=O)NCCCN1C(=O)C1CN(S(C)(=O)=O)C1 ZINC000908407132 650101296 /nfs/dbraw/zinc/10/12/96/650101296.db2.gz HZWBUQXBTRPEFS-GFCCVEGCSA-N 0 0 331.438 -0.359 10 0 EBAERN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCOC[C@H]1CO ZINC000912421785 650204846 /nfs/dbraw/zinc/20/48/46/650204846.db2.gz LRYJBHXQRADZFC-VHSXEESVSA-N 0 0 334.419 -0.365 10 0 EBAERN Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NC(=O)[C@@H]1OCCN(C)C1=O ZINC000913084396 650218879 /nfs/dbraw/zinc/21/88/79/650218879.db2.gz BJVZFABMMAGECD-BNOWGMLFSA-N 0 0 336.392 -0.160 10 0 EBAERN Cn1c2[nH]c(CCC(=O)NCc3nccs3)nc2c(=O)n(C)c1=O ZINC000222722394 719408734 /nfs/dbraw/zinc/40/87/34/719408734.db2.gz GKOOEDHPYZSGRB-UHFFFAOYSA-N 0 0 348.388 -0.334 10 0 EBAERN O=C(NC[C@@H]1CN2CCN1CC2)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000178733069 295672490 /nfs/dbraw/zinc/67/24/90/295672490.db2.gz RBPKFTFRGHKVHP-GMTAPVOTSA-N 0 0 334.342 -0.441 10 0 EBAERN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH3+])[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000100399427 219098134 /nfs/dbraw/zinc/09/81/34/219098134.db2.gz ZRAWPYYLRZSVEU-XGFWRYKXSA-N 0 0 347.320 -0.972 10 0 EBAERN CC(=O)Nc1c(N2C(=O)c3ccccc3C2=O)c(=O)n(C)c(=O)n1C ZINC000039125384 213231624 /nfs/dbraw/zinc/23/16/24/213231624.db2.gz CCKHHOCRUYDOPN-UHFFFAOYSA-N 0 0 342.311 -0.157 10 0 EBAERN Cn1cnc(S(=O)(=O)NC2CCS(=O)(=O)CC2)c1Cl ZINC000036331780 213084764 /nfs/dbraw/zinc/08/47/64/213084764.db2.gz WJDHRATVCBVZQK-UHFFFAOYSA-N 0 0 327.815 -0.071 10 0 EBAERN COC(=O)C[C@H]1CCCCN1S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000038027076 291156036 /nfs/dbraw/zinc/15/60/36/291156036.db2.gz XFRZFOYWTCLMDZ-GHMZBOCLSA-N 0 0 339.435 -0.079 10 0 EBAERN Cc1[nH]c(=O)sc1S(=O)(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000038084335 213201388 /nfs/dbraw/zinc/20/13/88/213201388.db2.gz GOSOMBFVCAAAQX-SSDOTTSWSA-N 0 0 326.421 -0.542 10 0 EBAERN COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N1CCOC[C@H]1C(N)=O ZINC000408317707 291343238 /nfs/dbraw/zinc/34/32/38/291343238.db2.gz HNSDWRQWUIZEQU-OUAUKWLOSA-N 0 0 334.394 -0.766 10 0 EBAERN CC1(C)O[C@H]2CO[C@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@H]2O1 ZINC000021984495 212267780 /nfs/dbraw/zinc/26/77/80/212267780.db2.gz KJADKKWYZYXHBB-PHGLEFOZSA-N 0 0 339.366 -0.395 10 0 EBAERN C=CC(=O)OC[C@@H](O)COCCCCOC[C@H](O)COC(=O)C=C ZINC000005157573 375904220 /nfs/dbraw/zinc/90/42/20/375904220.db2.gz QIPOUSKNIMYTRA-KBPBESRZSA-N 0 0 346.376 -0.020 10 0 EBAERN O=C(/C=C/c1cccnc1)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1 ZINC000643586198 375913751 /nfs/dbraw/zinc/91/37/51/375913751.db2.gz GSRMHGSZSQJMJV-DDGGKIRWSA-N 0 0 333.388 -0.640 10 0 EBAERN CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H](C)[C@H]2CCCO2)CC1 ZINC000045683078 375992915 /nfs/dbraw/zinc/99/29/15/375992915.db2.gz CHTBEWSDMYIEFS-QWHCGFSZSA-N 0 0 340.424 -0.068 10 0 EBAERN Cc1cc(=O)oc2cc(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)ccc12 ZINC000015206481 375987435 /nfs/dbraw/zinc/98/74/35/375987435.db2.gz YUDPTGPSBJVHCN-ZIRHEVKLSA-N 0 0 338.312 -0.720 10 0 EBAERN COC(=O)C1CCN(S(=O)(=O)N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC000408012288 376279361 /nfs/dbraw/zinc/27/93/61/376279361.db2.gz FXGSYXIQXGBYIX-CYBMUJFWSA-N 0 0 347.437 -0.283 10 0 EBAERN CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H](C)[C@H]1CO ZINC000408010933 376279681 /nfs/dbraw/zinc/27/96/81/376279681.db2.gz NLYZVMNTORTQQG-WDEREUQCSA-N 0 0 328.456 -0.652 10 0 EBAERN CCNc1ccnc(N2CCn3nc(C(=O)NCCO)cc3C2)n1 ZINC000065526263 376226778 /nfs/dbraw/zinc/22/67/78/376226778.db2.gz JRLCFYBZKXMTFI-UHFFFAOYSA-N 0 0 331.380 -0.153 10 0 EBAERN CN1CCO[C@@H]2CCN(S(=O)(=O)CCCS(C)(=O)=O)C[C@@H]21 ZINC000408017295 376281510 /nfs/dbraw/zinc/28/15/10/376281510.db2.gz QRDCKOXGHWWRBC-NWDGAFQWSA-N 0 0 340.467 -0.844 10 0 EBAERN CN1CCO[C@@H]2CCN(S(=O)(=O)CCCS(C)(=O)=O)C[C@H]21 ZINC000408017297 376281660 /nfs/dbraw/zinc/28/16/60/376281660.db2.gz QRDCKOXGHWWRBC-VXGBXAGGSA-N 0 0 340.467 -0.844 10 0 EBAERN CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)co1 ZINC000408023127 376283137 /nfs/dbraw/zinc/28/31/37/376283137.db2.gz QFOYXQDTTJFKEK-NEPJUHHUSA-N 0 0 343.405 -0.267 10 0 EBAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000408019754 376283786 /nfs/dbraw/zinc/28/37/86/376283786.db2.gz APMGQQKVSWSBEK-NWDGAFQWSA-N 0 0 343.405 -0.219 10 0 EBAERN CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000408024041 376285510 /nfs/dbraw/zinc/28/55/10/376285510.db2.gz XIEZBKKWRJLVCK-XQQFMLRXSA-N 0 0 333.454 -0.508 10 0 EBAERN COC(=O)c1cc(S(=O)(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)c[nH]1 ZINC000408028004 376286942 /nfs/dbraw/zinc/28/69/42/376286942.db2.gz NQRJGODPRYGPDP-CHWSQXEVSA-N 0 0 343.405 -0.105 10 0 EBAERN NC(=O)N[C@H]1CCN(C(=O)[C@@H]2CSCN2C(=O)C2CCC2)C1 ZINC000408026477 376287173 /nfs/dbraw/zinc/28/71/73/376287173.db2.gz YHJKAKYUVUQXOC-QWRGUYRKSA-N 0 0 326.422 -0.043 10 0 EBAERN Cn1c(=O)cc(CN2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)n(C)c1=O ZINC000408043001 376295881 /nfs/dbraw/zinc/29/58/81/376295881.db2.gz IUJYLSXWQUZLBC-KFWWJZLASA-N 0 0 337.420 -0.164 10 0 EBAERN CO[C@H]1C[C@@H](C(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)N(C)C1 ZINC000408043831 376296478 /nfs/dbraw/zinc/29/64/78/376296478.db2.gz RBFNOCWVSYCNOV-XQQFMLRXSA-N 0 0 333.454 -0.366 10 0 EBAERN COC(=O)C[C@H]1CN(C(=O)[C@]2(O)CCCN(C(C)=O)C2)CCO1 ZINC000408052094 376298034 /nfs/dbraw/zinc/29/80/34/376298034.db2.gz KLFKHINXGHSUGH-WFASDCNBSA-N 0 0 328.365 -0.850 10 0 EBAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c1 ZINC000408058214 376301003 /nfs/dbraw/zinc/30/10/03/376301003.db2.gz HTKSDQMUDZAZAS-CHWSQXEVSA-N 0 0 339.417 -0.203 10 0 EBAERN COC(=O)[C@@H]1CC[C@H]1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000408060699 376301042 /nfs/dbraw/zinc/30/10/42/376301042.db2.gz GYSZEKYYGPPGCK-YNEHKIRRSA-N 0 0 344.433 -0.483 10 0 EBAERN CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCO[C@H](C)[C@H]2C(N)=O)C1 ZINC000408066068 376303205 /nfs/dbraw/zinc/30/32/05/376303205.db2.gz UBBJUBLVZXSZMW-UTUOFQBUSA-N 0 0 347.437 -0.851 10 0 EBAERN COCCN1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)C[C@H]1C ZINC000408181336 376407310 /nfs/dbraw/zinc/40/73/10/376407310.db2.gz CGPRRNHFKHQVPB-GFCCVEGCSA-N 0 0 348.469 -0.919 10 0 EBAERN CC[C@@H]1C[C@H](C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC(=O)N1 ZINC000408191363 376411682 /nfs/dbraw/zinc/41/16/82/376411682.db2.gz FMOVCRZATSDDFA-SDDRHHMPSA-N 0 0 331.438 -0.217 10 0 EBAERN COC(=O)c1cc(S(=O)(=O)N2C[C@H]3OCCN(C)[C@H]3C2)cn1C ZINC000408215170 376428265 /nfs/dbraw/zinc/42/82/65/376428265.db2.gz QWJFMLGTYOENTO-QWHCGFSZSA-N 0 0 343.405 -0.485 10 0 EBAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H]1CCC(=O)N[C@H]1[C@@H]1CCCO1 ZINC000408203359 376419757 /nfs/dbraw/zinc/41/97/57/376419757.db2.gz DCKNZQWXBRLJDF-HNCHTBHHSA-N 0 0 347.437 -0.791 10 0 EBAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H]1CCC(=O)N[C@H]1[C@H]1CCCO1 ZINC000408203360 376420032 /nfs/dbraw/zinc/42/00/32/376420032.db2.gz DCKNZQWXBRLJDF-PRULPYPASA-N 0 0 347.437 -0.791 10 0 EBAERN C[C@H](O)CN1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C[C@@H]1C ZINC000408109922 376374104 /nfs/dbraw/zinc/37/41/04/376374104.db2.gz IOMVCIJHVGLXHN-STQMWFEESA-N 0 0 347.481 -0.429 10 0 EBAERN C[C@H]1CN(C)CCN1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000408114926 376374952 /nfs/dbraw/zinc/37/49/52/376374952.db2.gz ZYOKANMYFYJGCD-JTQLQIEISA-N 0 0 331.376 -0.592 10 0 EBAERN CCOC(=O)c1ccc(N[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1 ZINC000095921668 376479840 /nfs/dbraw/zinc/47/98/40/376479840.db2.gz QPYPPHVWJURKPP-GUIRCDHDSA-N 0 0 327.333 -0.923 10 0 EBAERN Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc12 ZINC000033358931 376436520 /nfs/dbraw/zinc/43/65/20/376436520.db2.gz YUDPTGPSBJVHCN-YPUPRDRTSA-N 0 0 338.312 -0.720 10 0 in-vitro EBAERN NC(=O)[C@@H]1COCCN1CC(=O)Nc1ccc(Br)cn1 ZINC000092230882 376452084 /nfs/dbraw/zinc/45/20/84/376452084.db2.gz SRTSPKILTDWUOH-VIFPVBQESA-N 0 0 343.181 -0.031 10 0 EBAERN COCCN1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C[C@@H]1C ZINC000408182769 376487014 /nfs/dbraw/zinc/48/70/14/376487014.db2.gz MDBGKWCYGPCEJZ-ZDUSSCGKSA-N 0 0 347.481 -0.163 10 0 EBAERN COC(=O)C1CCN(S(=O)(=O)N2C[C@@H]3[C@H](C2)OCCN3C)CC1 ZINC000408287393 376553473 /nfs/dbraw/zinc/55/34/73/376553473.db2.gz RLCHDQRVFRIZOC-OLZOCXBDSA-N 0 0 347.437 -0.869 10 0 EBAERN CN(c1cccnn1)C1CCN(CC(=O)N2CCNC(=O)C2)CC1 ZINC000105806520 376569790 /nfs/dbraw/zinc/56/97/90/376569790.db2.gz LJLUASXWJFYCMG-UHFFFAOYSA-N 0 0 332.408 -0.664 10 0 EBAERN COC(=O)CNC(=O)CN1CCN(Cc2cnc(C)s2)CC1 ZINC000105911161 376573438 /nfs/dbraw/zinc/57/34/38/376573438.db2.gz ZWDLKLHDXSMQHO-UHFFFAOYSA-N 0 0 326.422 -0.142 10 0 EBAERN O=C(Cn1[n-]c(=O)ccc1=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000112206703 376641026 /nfs/dbraw/zinc/64/10/26/376641026.db2.gz ZJPNRJWZAFIXST-ZDUSSCGKSA-N 0 0 336.392 -0.893 10 0 EBAERN CS(=O)(=O)N1CCc2c1cccc2NC(=O)N1C[C@@H](O)[C@H](O)C1 ZINC000408393857 376722841 /nfs/dbraw/zinc/72/28/41/376722841.db2.gz HNRONXPZRUKVDA-CHWSQXEVSA-N 0 0 341.389 -0.422 10 0 EBAERN Cn1nccc1N1CCC[C@@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C1=O ZINC000408342325 376711894 /nfs/dbraw/zinc/71/18/94/376711894.db2.gz WWDXNGBRGSHQGV-NWDGAFQWSA-N 0 0 333.392 -0.100 10 0 EBAERN COCC(=O)N1CCC(NS(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000408236054 376750098 /nfs/dbraw/zinc/75/00/98/376750098.db2.gz MYPIPGCTLPRMQU-NWDGAFQWSA-N 0 0 349.453 -0.433 10 0 EBAERN C[C@H](C(=O)N1CCOCC1)N1CCN(c2nccn(C)c2=O)CC1 ZINC000408255693 376796585 /nfs/dbraw/zinc/79/65/85/376796585.db2.gz JNMSCLSPDPHWNR-CYBMUJFWSA-N 0 0 335.408 -0.850 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(NC(N)=O)CC1 ZINC000408259125 376798228 /nfs/dbraw/zinc/79/82/28/376798228.db2.gz GOMPGZVRWWYQRT-GFCCVEGCSA-N 0 0 346.453 -0.150 10 0 EBAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000363233241 376793538 /nfs/dbraw/zinc/79/35/38/376793538.db2.gz DPNMWVOUOJSDQF-JSGCOSHPSA-N 0 0 348.407 -0.165 10 0 EBAERN COCc1nc2n(n1)C[C@@H](NC(=O)c1nc(C)c(C)[nH]c1=O)CC2 ZINC000154125787 376821246 /nfs/dbraw/zinc/82/12/46/376821246.db2.gz VGOVRUQHVGMVKD-JTQLQIEISA-N 0 0 332.364 -0.131 10 0 EBAERN Cc1cc(C)c(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)[nH]1 ZINC000408280298 376826796 /nfs/dbraw/zinc/82/67/96/376826796.db2.gz HDTAIYHFZRBOOM-QWHCGFSZSA-N 0 0 341.433 -0.453 10 0 EBAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC000408273328 376815411 /nfs/dbraw/zinc/81/54/11/376815411.db2.gz BQAZHGOAAOULLS-RWMBFGLXSA-N 0 0 347.437 -0.838 10 0 EBAERN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)CC(C)(C)O)CC1 ZINC000408285676 376831919 /nfs/dbraw/zinc/83/19/19/376831919.db2.gz HIWQOBLYUPSGID-ZDUSSCGKSA-N 0 0 327.425 -0.461 10 0 EBAERN CCOC(=O)C1CCN(S(=O)(=O)N2CCCNC(=O)[C@H]2C)CC1 ZINC000408287506 376833420 /nfs/dbraw/zinc/83/34/20/376833420.db2.gz RJTXMISEASHUSV-LLVKDONJSA-N 0 0 347.437 -0.283 10 0 EBAERN COCCC(=O)N1CCC(NC(=O)N2CCCNC(=O)[C@H]2C)CC1 ZINC000408287746 376833623 /nfs/dbraw/zinc/83/36/23/376833623.db2.gz STUYISCBYWAOJE-GFCCVEGCSA-N 0 0 340.424 -0.066 10 0 EBAERN Cc1c(C(=O)N2CCCNC(=O)[C@@H]2C)cccc1S(N)(=O)=O ZINC000408292595 376835632 /nfs/dbraw/zinc/83/56/32/376835632.db2.gz DHXWDGLVODXZQW-JTQLQIEISA-N 0 0 325.390 -0.007 10 0 EBAERN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H](O)C[C@H]1C ZINC000408294918 376837989 /nfs/dbraw/zinc/83/79/89/376837989.db2.gz QHTBVIDMSWPQGR-HDBBIHSSSA-N 0 0 331.394 -0.060 10 0 EBAERN COC[C@H](C)N(C)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000408333983 376863257 /nfs/dbraw/zinc/86/32/57/376863257.db2.gz KHWYCLLTSIQGPS-NSHDSACASA-N 0 0 342.483 -0.046 10 0 EBAERN C[C@H]1CN(S(=O)(=O)N2CCN(CC(C)(C)O)CC2)[C@@H](C)CO1 ZINC000408433992 376912448 /nfs/dbraw/zinc/91/24/48/376912448.db2.gz WZOZDSAILTYBFS-STQMWFEESA-N 0 0 335.470 -0.271 10 0 EBAERN CC[C@H](CO)N1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000408435385 376914431 /nfs/dbraw/zinc/91/44/31/376914431.db2.gz WUNFFTRUXPQBRC-BFHYXJOUSA-N 0 0 335.470 -0.271 10 0 EBAERN CN(C)c1ncccc1O[C@@H]1CCN(C(=O)CNS(C)(=O)=O)C1 ZINC000328616819 377222499 /nfs/dbraw/zinc/22/24/99/377222499.db2.gz CCGXHKHHYOHBLT-LLVKDONJSA-N 0 0 342.421 -0.324 10 0 EBAERN Cc1cc(N2CC[C@@H](NC(=O)N(C)[C@H]3CCNC3=O)C2=O)n(C)n1 ZINC000332753783 377313029 /nfs/dbraw/zinc/31/30/29/377313029.db2.gz IPYNDWVPUTXZJY-MNOVXSKESA-N 0 0 334.380 -0.636 10 0 EBAERN Cc1noc([C@H]2CN(C(=O)NC[C@@H]3CN(C)CCO3)CCN2C)n1 ZINC000332773171 377315394 /nfs/dbraw/zinc/31/53/94/377315394.db2.gz NRLGFPVKZBQJJE-CHWSQXEVSA-N 0 0 338.412 -0.293 10 0 EBAERN CCc1noc([C@H](C)N2CCN(Cc3nc(N)nc(N)n3)CC2)n1 ZINC000105865142 377369517 /nfs/dbraw/zinc/36/95/17/377369517.db2.gz DDDSGDOZTXLSRZ-VIFPVBQESA-N 0 0 333.400 -0.140 10 0 EBAERN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NCc2ccnn2C)CC1 ZINC000103508906 377357026 /nfs/dbraw/zinc/35/70/26/377357026.db2.gz BNDMTVZHEDKSAP-LBPRGKRZSA-N 0 0 334.424 -0.086 10 0 EBAERN COC(=O)[C@]1(C)CCCN1C(=O)[C@H]1C[C@H](OC)CN1S(C)(=O)=O ZINC000365762135 377482349 /nfs/dbraw/zinc/48/23/49/377482349.db2.gz JWXMSWWYLWUPQD-WDMOLILDSA-N 0 0 348.421 -0.411 10 0 EBAERN C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCC[C@@](O)(C(N)=O)C1)CS2 ZINC000319233611 377566492 /nfs/dbraw/zinc/56/64/92/377566492.db2.gz VVLXCIVHHYARNI-IIMNLJJBSA-N 0 0 327.406 -0.721 10 0 EBAERN O=C(CSCC(=O)N1CCOCC1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000388411288 377592283 /nfs/dbraw/zinc/59/22/83/377592283.db2.gz AXMVDKXJASQFAA-XQQFMLRXSA-N 0 0 328.434 -0.192 10 0 EBAERN Cn1nnnc1SC[C@H]1CS[C@]2(C)[C@H]([NH3+])C(=O)N2[C@@H]1C(=O)[O-] ZINC000616589928 378375980 /nfs/dbraw/zinc/37/59/80/378375980.db2.gz TWCQEDQHRRJGKO-UEZPWLPBSA-N 0 0 344.422 -0.996 10 0 EBAERN CCCCN1CCOC[C@@H]1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618677588 379152451 /nfs/dbraw/zinc/15/24/51/379152451.db2.gz PXLSBLONSXVOQU-ZIAGYGMSSA-N 0 0 347.481 -0.020 10 0 EBAERN CO[C@@H]1CC[C@@H]2OCCN(CC(=O)N3CCC[C@H](C(N)=O)C3)[C@H]2C1 ZINC000366793311 379347818 /nfs/dbraw/zinc/34/78/18/379347818.db2.gz CZBGTZATCMLEFP-XGUBFFRZSA-N 0 0 339.436 -0.021 10 0 EBAERN COCC(=O)N[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O ZINC000225498343 379443348 /nfs/dbraw/zinc/44/33/48/379443348.db2.gz AUHPXOCBRCYMIG-BHTHQVBYSA-N 0 0 347.375 -0.787 10 0 biogenic EBAERN C[C@@H]1CN(C(=O)CN2CCC[C@@H]2c2nc(C(N)=O)no2)C[C@@H](C)O1 ZINC000328653958 379478056 /nfs/dbraw/zinc/47/80/56/379478056.db2.gz XCRQYKLEHCWAHT-GMTAPVOTSA-N 0 0 337.380 -0.059 10 0 EBAERN C[C@@H]1CN(C(=O)CN2CCC[C@H]2c2nc(C(N)=O)no2)C[C@H](C)O1 ZINC000328653957 379478409 /nfs/dbraw/zinc/47/84/09/379478409.db2.gz XCRQYKLEHCWAHT-AXFHLTTASA-N 0 0 337.380 -0.059 10 0 EBAERN CCS(=O)(=O)NCCCN1CCC[C@H]1c1nc(C(N)=O)no1 ZINC000328655765 379479403 /nfs/dbraw/zinc/47/94/03/379479403.db2.gz YQWGXSYXHWNPNU-VIFPVBQESA-N 0 0 331.398 -0.365 10 0 EBAERN C[C@H]1Cc2cc(S(=O)(=O)N3CCOC[C@@H]3C(N)=O)ccc2O1 ZINC000271982540 379553897 /nfs/dbraw/zinc/55/38/97/379553897.db2.gz OVMYUVMNSOUAPJ-JOYOIKCWSA-N 0 0 326.374 -0.115 10 0 EBAERN CC(=O)OC[C@@H]1OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000014422022 379693132 /nfs/dbraw/zinc/69/31/32/379693132.db2.gz ULWHEXUWXLOVPV-IGQOVBAYSA-N 0 0 332.305 -0.257 10 0 EBAERN Cc1cc(N2CCN([C@@H](C)c3nnnn3C)CC2)n2ncnc2n1 ZINC000189127152 379790084 /nfs/dbraw/zinc/79/00/84/379790084.db2.gz PLJYQLMXJXRBAC-NSHDSACASA-N 0 0 328.384 -0.161 10 0 EBAERN N#CC(=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(N)=O ZINC000252460688 379805584 /nfs/dbraw/zinc/80/55/84/379805584.db2.gz HKHSLKHQAVJIMB-UHFFFAOYSA-N 0 0 337.361 -0.516 10 0 EBAERN Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000377970493 379830251 /nfs/dbraw/zinc/83/02/51/379830251.db2.gz JMHLVNDOJUEPOO-JJRVBVJISA-N 0 0 335.404 -0.551 10 0 EBAERN COC(=O)C1CCN(C(=O)CN2C[C@@H]3OCCN(C)[C@H]3C2)CC1 ZINC000352066889 379919799 /nfs/dbraw/zinc/91/97/99/379919799.db2.gz FBEGLHNSKNTXKH-KBPBESRZSA-N 0 0 325.409 -0.587 10 0 EBAERN CC1CCN(C(=O)C(=O)N2CCC[C@@](O)(Cn3ccnn3)C2)CC1 ZINC000284505255 380187024 /nfs/dbraw/zinc/18/70/24/380187024.db2.gz BUOGPGFRQIABFJ-INIZCTEOSA-N 0 0 335.408 -0.110 10 0 EBAERN CCN1CCO[C@@H](CN2CCN(c3cncc4nncn43)CC2)C1 ZINC000368057551 380492690 /nfs/dbraw/zinc/49/26/90/380492690.db2.gz IZZHLSZUBPTNPM-CQSZACIVSA-N 0 0 331.424 -0.033 10 0 EBAERN CN1CC(=O)N(CC(=O)N[C@@H]2CCCN(c3ccnn3C)C2)C1=O ZINC000369723925 380570667 /nfs/dbraw/zinc/57/06/67/380570667.db2.gz SOSKWSJBVXTAIE-LLVKDONJSA-N 0 0 334.380 -0.601 10 0 EBAERN CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@H]1Sc1cccc(C)n1 ZINC000059030982 380608015 /nfs/dbraw/zinc/60/80/15/380608015.db2.gz XUKXHOMZOIYNLR-HNGSFYKJSA-N 0 0 328.390 -0.574 10 0 EBAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CCNS(C)(=O)=O)CC2 ZINC000172420398 380739161 /nfs/dbraw/zinc/73/91/61/380739161.db2.gz ZCOCVHSXCJFOGV-JTQLQIEISA-N 0 0 329.426 -0.228 10 0 EBAERN O=C(NC[C@@H]1CN2CCN1CC2)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000178733058 381074462 /nfs/dbraw/zinc/07/44/62/381074462.db2.gz RBPKFTFRGHKVHP-VWYCJHECSA-N 0 0 334.342 -0.441 10 0 EBAERN CC(C)C[C@H]([NH3+])C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)[O-])C(C)C ZINC000039798018 381196849 /nfs/dbraw/zinc/19/68/49/381196849.db2.gz TUIOUEWKFFVNLH-DCAQKATOSA-N 0 0 333.454 0.000 10 0 EBAERN COCCOC[C@]1(CNC(=O)C2CCOCC2)C[C@@H](O)[C@@H](O)C1 ZINC000107430630 381211038 /nfs/dbraw/zinc/21/10/38/381211038.db2.gz RYYWUFWVRRMGTC-MIFYACCESA-N 0 0 331.409 -0.306 10 0 biogenic EBAERN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112648348 381256891 /nfs/dbraw/zinc/25/68/91/381256891.db2.gz BKGDWSAZCOLXDX-NSHDSACASA-N 0 0 341.375 -0.095 10 0 EBAERN Cc1cc(N2CCC[C@@H](NC(=O)N[C@@H]3CCCNC3=O)C2=O)n(C)n1 ZINC000332939988 381272765 /nfs/dbraw/zinc/27/27/65/381272765.db2.gz ZHPMYUKXLSPOLG-VXGBXAGGSA-N 0 0 348.407 -0.198 10 0 EBAERN C[C@H]1CCCN(S(=O)(=O)N2CCO[C@@H](CN(C)CC(N)=O)C2)C1 ZINC000367135975 381494757 /nfs/dbraw/zinc/49/47/57/381494757.db2.gz RZYFFXODVFGEGY-STQMWFEESA-N 0 0 348.469 -0.919 10 0 EBAERN Cc1cc(N2CCN(C(=O)[C@@H]3COCCN3)CC2)n2ncnc2n1 ZINC000166954675 381610531 /nfs/dbraw/zinc/61/05/31/381610531.db2.gz ZDDIMWDTDLDWBN-LBPRGKRZSA-N 0 0 331.380 -0.930 10 0 EBAERN CNC(=O)[C@H]1CCCN(C(=O)[C@H]2C[C@H](OC)CN2S(C)(=O)=O)C1 ZINC000369265901 381809981 /nfs/dbraw/zinc/80/99/81/381809981.db2.gz MFEDKMRRFKSIRW-SDDRHHMPSA-N 0 0 347.437 -0.980 10 0 EBAERN COCCN1CCN(C(=O)[C@@]2(O)CCCN(C(C)=O)C2)C[C@H]1C ZINC000408051525 285046400 /nfs/dbraw/zinc/04/64/00/285046400.db2.gz PMEKFTPIZNJNEJ-CZUORRHYSA-N 0 0 327.425 -0.461 10 0 EBAERN COC(=O)[C@H]1CN(C(=O)N[C@H]2CCC(=O)NC23CCC3)CCO1 ZINC000375010832 291894632 /nfs/dbraw/zinc/89/46/32/291894632.db2.gz MTXHTLZCYCCWGU-MNOVXSKESA-N 0 0 325.365 -0.229 10 0 EBAERN CS(=O)(=O)NC[C@@]12COC[C@@H]1CN(C(=O)c1cccnc1)C2 ZINC000247562626 257681007 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C[C@@H](C(=O)N1CCC[C@@H]1C(=O)N1CCN(C)CC1)N1CCOCC1 ZINC000329286909 295728319 /nfs/dbraw/zinc/72/83/19/295728319.db2.gz OWIWNVFWZHJXEB-LSDHHAIUSA-N 0 0 338.452 -0.528 10 0 EBAERN CC(C)c1ccc(CO)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000067913836 215250468 /nfs/dbraw/zinc/25/04/68/215250468.db2.gz IILRAPUPZQMHJL-IBEHDNSVSA-N 0 0 328.361 -0.519 10 0 biogenic,in-vitro EBAERN CCN(CCCNS(=O)(=O)c1ccc(=O)[nH]c1)S(C)(=O)=O ZINC000038036007 213194477 /nfs/dbraw/zinc/19/44/77/213194477.db2.gz OAXOZHGTHJXMLN-UHFFFAOYSA-N 0 0 337.423 -0.675 10 0 EBAERN CNC(=O)[C@@H]1CCCN1C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000408102843 290560602 /nfs/dbraw/zinc/56/06/02/290560602.db2.gz DGWZPVZUNIFUQV-WOPDTQHZSA-N 0 0 326.397 -0.458 10 0 EBAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000318342924 291380988 /nfs/dbraw/zinc/38/09/88/291380988.db2.gz WIJKFYSQFHUMGT-KKOKHZNYSA-N 0 0 330.406 -0.132 10 0 EBAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCSC[C@H]1C(N)=O ZINC000408335420 291390466 /nfs/dbraw/zinc/39/04/66/291390466.db2.gz HMNXQCSKMAHJSG-KXUCPTDWSA-N 0 0 336.435 -0.439 10 0 EBAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000408333637 291390579 /nfs/dbraw/zinc/39/05/79/291390579.db2.gz GQOSZSBUBWIHLZ-HBNTYKKESA-N 0 0 339.435 -0.223 10 0 EBAERN COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1n[nH]c2c1CCC2 ZINC000408228280 284142384 /nfs/dbraw/zinc/14/23/84/284142384.db2.gz HBQHFYUOKHCYIQ-JTQLQIEISA-N 0 0 327.362 -0.689 10 0 EBAERN C[C@@H](O)CN1CCN(C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)CC1 ZINC000369574203 296185097 /nfs/dbraw/zinc/18/50/97/296185097.db2.gz CDHAOVROHQZELC-JMSVASOKSA-N 0 0 327.450 -0.035 10 0 EBAERN CC(=O)n1cc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c2ccccc21 ZINC000015205846 211807828 /nfs/dbraw/zinc/80/78/28/211807828.db2.gz BVTHTINNTYALID-UYJHQMFVSA-N 0 0 337.328 -0.520 10 0 EBAERN O=c1ccn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(C2SCCCS2)n1 ZINC000001570818 375875683 /nfs/dbraw/zinc/87/56/83/375875683.db2.gz AFDQPGWEHYBTAF-YJBLWWEUSA-N 0 0 346.430 -0.277 10 0 EBAERN O=c1ncc(I)cn1[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC000006091380 375908826 /nfs/dbraw/zinc/90/88/26/375908826.db2.gz XIJXHOVKJAXCGJ-XLPZGREQSA-N 0 0 338.101 -0.511 10 0 investigational EBAERN CC[C@@H](O)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C ZINC000000158213 375868266 /nfs/dbraw/zinc/86/82/66/375868266.db2.gz YEMXJLIZWCYLAX-ZCFIWIBFSA-N 0 0 331.170 -0.033 10 0 EBAERN Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)ccc12 ZINC000013516052 376115759 /nfs/dbraw/zinc/11/57/59/376115759.db2.gz YUDPTGPSBJVHCN-AKSVOJBYSA-N 0 0 338.312 -0.720 10 0 in-vitro EBAERN O=C(CN1CCS(=O)(=O)CC1)N1CCN[C@@H](c2ccncc2)C1 ZINC000407963253 376274244 /nfs/dbraw/zinc/27/42/44/376274244.db2.gz DBZVRXMIARUUIV-CQSZACIVSA-N 0 0 338.433 -0.715 10 0 EBAERN COCn1nccc1S(=O)(=O)N1CCO[C@@H]2CCN(C)C[C@H]21 ZINC000408028852 376287101 /nfs/dbraw/zinc/28/71/01/376287101.db2.gz RBCOPOQUAVRGFU-VXGBXAGGSA-N 0 0 330.410 -0.419 10 0 EBAERN 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/nfs/dbraw/zinc/30/33/80/376303380.db2.gz UKPPEBDTVGUCMT-UPJWGTAASA-N 0 0 339.392 -0.341 10 0 EBAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cccc3c2OCC(=O)N3)C1 ZINC000408180840 376405539 /nfs/dbraw/zinc/40/55/39/376405539.db2.gz WPWRGLIPFHATNG-SECBINFHSA-N 0 0 339.373 -0.219 10 0 EBAERN Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3[NH3+])ccc12 ZINC000218251200 376409957 /nfs/dbraw/zinc/40/99/57/376409957.db2.gz XPBYRVZLJCNXMD-CWCFIDOXSA-N 0 0 337.328 -0.753 10 0 EBAERN CNS(=O)(=O)N1CCN(C(=O)c2nc(C)c(C)nc2C)CC1 ZINC000408198347 376415374 /nfs/dbraw/zinc/41/53/74/376415374.db2.gz MNUBBZLHNNSUFR-UHFFFAOYSA-N 0 0 327.410 -0.376 10 0 EBAERN CC[C@H](O)CN1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CC1 ZINC000408156183 376355407 /nfs/dbraw/zinc/35/54/07/376355407.db2.gz XINAJNYHNSZRTC-MCIONIFRSA-N 0 0 335.470 -0.271 10 0 EBAERN CS(=O)(=O)c1ccc(N2CCCN(S(C)(=O)=O)CC2)nc1 ZINC000408101747 376366382 /nfs/dbraw/zinc/36/63/82/376366382.db2.gz SPKBRYKIHIMWPM-UHFFFAOYSA-N 0 0 333.435 -0.043 10 0 EBAERN 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EBAERN C[C@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)N1CCOCC1 ZINC000328938953 155196707 /nfs/dbraw/zinc/19/67/07/155196707.db2.gz GYZRXLVHKNCXFT-OAHLLOKOSA-N 0 0 338.452 -0.526 10 0 EBAERN CN1CCO[C@H]2CCN(C(=O)Cn3nnc4ccccc4c3=O)C[C@@H]21 ZINC000328911298 155196885 /nfs/dbraw/zinc/19/68/85/155196885.db2.gz OCFNMMZTWUPLLB-GJZGRUSLSA-N 0 0 343.387 -0.277 10 0 EBAERN Cn1nccc1[C@H]1[C@H](NS(=O)(=O)C[C@H]2CCOC2)CC(=O)N1C ZINC000328989211 155201580 /nfs/dbraw/zinc/20/15/80/155201580.db2.gz RSXYMGQJXYJMLL-MISXGVKJSA-N 0 0 342.421 -0.352 10 0 EBAERN CN1CCN(C(=O)CN2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)CC1 ZINC000329143689 155208198 /nfs/dbraw/zinc/20/81/98/155208198.db2.gz MINCCHGWWWINSV-LBPRGKRZSA-N 0 0 334.424 -0.538 10 0 EBAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)N3CCOCC3)CCO2)c1 ZINC000329230245 155213556 /nfs/dbraw/zinc/21/35/56/155213556.db2.gz DIFTUYVWZHCGQN-ZDUSSCGKSA-N 0 0 330.410 -0.531 10 0 EBAERN Cc1cnn(C[C@@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)CCO2)c1 ZINC000329232554 155212166 /nfs/dbraw/zinc/21/21/66/155212166.db2.gz GCBJTPNLXFBURA-LBPRGKRZSA-N 0 0 333.348 -0.619 10 0 EBAERN C[C@@H]1CN(C)CCN1C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000329303121 155216681 /nfs/dbraw/zinc/21/66/81/155216681.db2.gz WSHICUTUDHTAGO-JHJVBQTASA-N 0 0 343.449 -0.816 10 0 EBAERN CO[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C[C@H]1OC ZINC000329307774 155217357 /nfs/dbraw/zinc/21/73/57/155217357.db2.gz YLQMBBGVBVZING-XJFOESAGSA-N 0 0 342.392 -0.735 10 0 EBAERN C[C@H](C(=O)N1CCC[C@@H]1C(=O)N1CCN(C)CC1)N1CCOCC1 ZINC000329286907 155218035 /nfs/dbraw/zinc/21/80/35/155218035.db2.gz OWIWNVFWZHJXEB-HUUCEWRRSA-N 0 0 338.452 -0.528 10 0 EBAERN O=C(Cn1cc(N[C@H]2CCN(C3CC3)C2=O)cn1)N1CCOCC1 ZINC000329548138 155229952 /nfs/dbraw/zinc/22/99/52/155229952.db2.gz HQCVTYAHFCDCQV-AWEZNQCLSA-N 0 0 333.392 -0.083 10 0 EBAERN C[C@@H]1CN(C(=O)CCSc2nnnn2C)C[C@H]1N1CCOCC1 ZINC000329683242 155235184 /nfs/dbraw/zinc/23/51/84/155235184.db2.gz XQTQIRLDJYTBLP-VXGBXAGGSA-N 0 0 340.453 -0.129 10 0 EBAERN CCc1nnc([C@H]2CN(S(=O)(=O)c3cn(C)cn3)CCO2)[nH]1 ZINC000329679379 155235563 /nfs/dbraw/zinc/23/55/63/155235563.db2.gz VXUOEOOYRPGZRC-SECBINFHSA-N 0 0 326.382 -0.137 10 0 EBAERN C[C@@H](C(=O)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1)N1CCN(C)CC1 ZINC000329691631 155235909 /nfs/dbraw/zinc/23/59/09/155235909.db2.gz ZSGUIBNPYBZPJX-QWHCGFSZSA-N 0 0 348.451 -0.150 10 0 EBAERN C[C@@H]1CN(S(=O)(=O)N2CCN(CC3(O)CCC3)CC2)C[C@@H](C)O1 ZINC000329801086 155239746 /nfs/dbraw/zinc/23/97/46/155239746.db2.gz JJAXKJHVXQOOTF-ZIAGYGMSSA-N 0 0 347.481 -0.127 10 0 EBAERN O=C(CN1CCOCC1=O)N1CCC(c2ccnn2CCO)CC1 ZINC000329833055 155241934 /nfs/dbraw/zinc/24/19/34/155241934.db2.gz GGFPQWYVUPUCLJ-UHFFFAOYSA-N 0 0 336.392 -0.560 10 0 EBAERN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C[C@@H]2CCOC2)CC1 ZINC000329796284 155239910 /nfs/dbraw/zinc/23/99/10/155239910.db2.gz WVHQWFBBKMAUNC-GJZGRUSLSA-N 0 0 339.436 -0.196 10 0 EBAERN COCC1=CCN(C(=O)[C@H]2C[C@H](OC)CN2S(C)(=O)=O)CC1 ZINC000329895278 155244375 /nfs/dbraw/zinc/24/43/75/155244375.db2.gz KKPIOTHIQUFXDH-QWHCGFSZSA-N 0 0 332.422 -0.160 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000329978830 155250329 /nfs/dbraw/zinc/25/03/29/155250329.db2.gz IHNZLNXLLUAEIZ-RDBSUJKOSA-N 0 0 345.465 -0.268 10 0 EBAERN Cn1c2[nH]c(CN3C[C@H]4CCC[C@@H](C3)C4O)nc2c(=O)n(C)c1=O ZINC000172041199 154097047 /nfs/dbraw/zinc/09/70/47/154097047.db2.gz UXEMPBJBSQXADN-HWYHXSKPSA-N 0 0 333.392 -0.447 10 0 EBAERN CC(=O)N1CC(NC(=O)Cn2cc(Br)ccc2=O)C1 ZINC000173031019 154098664 /nfs/dbraw/zinc/09/86/64/154098664.db2.gz UWHGJKYAXCILCK-UHFFFAOYSA-N 0 0 328.166 -0.042 10 0 EBAERN Cn1cnnc1C1CCN(C(=O)C(C)(C)NS(C)(=O)=O)CC1 ZINC000173061180 154099075 /nfs/dbraw/zinc/09/90/75/154099075.db2.gz ZQESXJMZLHMFEH-UHFFFAOYSA-N 0 0 329.426 -0.151 10 0 EBAERN O=C(CCn1nc2ccccn2c1=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172749197 154099251 /nfs/dbraw/zinc/09/92/51/154099251.db2.gz GQLVOIMVEPCPSP-CQSZACIVSA-N 0 0 345.403 -0.181 10 0 EBAERN C[C@@H](CNC(=O)N1CC[C@H](N2CCOCC2)C1)N1CCOCC1 ZINC000173775494 154100795 /nfs/dbraw/zinc/10/07/95/154100795.db2.gz PFEKNNQRDGMHFO-GJZGRUSLSA-N 0 0 326.441 -0.177 10 0 EBAERN Cn1cc(S(=O)(=O)NCCN2CCC[C@H](n3cncn3)C2)cn1 ZINC000173699644 154102254 /nfs/dbraw/zinc/10/22/54/154102254.db2.gz MNUUFLIMVVMWJE-LBPRGKRZSA-N 0 0 339.425 -0.373 10 0 EBAERN Cc1nnc([C@@H]2CN(C(=O)Cn3nc4ccccn4c3=O)CCO2)[nH]1 ZINC000173536839 154102287 /nfs/dbraw/zinc/10/22/87/154102287.db2.gz RPXIGHVNUAMCLK-NSHDSACASA-N 0 0 343.347 -0.477 10 0 EBAERN COCCCS(=O)(=O)NCCN1CCC[C@H](n2cncn2)C1 ZINC000175203120 154108815 /nfs/dbraw/zinc/10/88/15/154108815.db2.gz BQAZYCUGOKQNEH-ZDUSSCGKSA-N 0 0 331.442 -0.129 10 0 EBAERN CN(C)C(=O)Cn1cc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)nn1 ZINC000179353260 154122214 /nfs/dbraw/zinc/12/22/14/154122214.db2.gz FPHNEEWASIFDOR-NSHDSACASA-N 0 0 332.368 -0.148 10 0 EBAERN O=S(=O)(c1ccc(CN2C[C@@H](O)C[C@@H]2CO)o1)N1CCCC1 ZINC000179173607 154123548 /nfs/dbraw/zinc/12/35/48/154123548.db2.gz ATSSKWOJGGMNBR-NEPJUHHUSA-N 0 0 330.406 -0.008 10 0 EBAERN CC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCN2CC3)cc1 ZINC000178966952 154123674 /nfs/dbraw/zinc/12/36/74/154123674.db2.gz MHQVTRBBPBXJRN-OAHLLOKOSA-N 0 0 330.388 -0.056 10 0 EBAERN CN(C(=O)Cn1ncn(C)c1=O)[C@@H]1CCCN(c2cccnn2)C1 ZINC000182037020 154132523 /nfs/dbraw/zinc/13/25/23/154132523.db2.gz MXBAOGKZULSGAS-GFCCVEGCSA-N 0 0 331.380 -0.501 10 0 EBAERN Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1C(=O)Cn1ncn(C)c1=O ZINC000184344284 154137577 /nfs/dbraw/zinc/13/75/77/154137577.db2.gz GAYVSPRVQBIJMF-CQSZACIVSA-N 0 0 347.350 -0.271 10 0 EBAERN COCC(=O)NC1CN(C(=O)c2cc(Cn3cc(C)cn3)on2)C1 ZINC000185222059 154139882 /nfs/dbraw/zinc/13/98/82/154139882.db2.gz NLTIMECYRNSVRP-UHFFFAOYSA-N 0 0 333.348 -0.185 10 0 EBAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)N1CCN(c2ccc(F)cc2)CC1 ZINC000185148819 154140790 /nfs/dbraw/zinc/14/07/90/154140790.db2.gz SXXYQQMPFBIWLW-CVEARBPZSA-N 0 0 337.395 -0.098 10 0 EBAERN COCC(=O)NC1CN(C(=O)Cn2cnc(-c3ccccc3)n2)C1 ZINC000186320638 154143716 /nfs/dbraw/zinc/14/37/16/154143716.db2.gz CJRKPVDWYGPSEM-UHFFFAOYSA-N 0 0 329.360 -0.082 10 0 EBAERN Cc1cc(N2CCN([C@@H](C)C(=O)N3CCC(C(N)=O)CC3)CC2)n[nH]1 ZINC000187260287 154146092 /nfs/dbraw/zinc/14/60/92/154146092.db2.gz PVABAIRPTARNPJ-ZDUSSCGKSA-N 0 0 348.451 -0.047 10 0 EBAERN COCCCS(=O)(=O)NCCN1CCN(c2cc(C)[nH]n2)CC1 ZINC000187271499 154146136 /nfs/dbraw/zinc/14/61/36/154146136.db2.gz HWDCOFLFAHCQAZ-UHFFFAOYSA-N 0 0 345.469 -0.204 10 0 EBAERN C[C@@H]1C(=O)NCCCN1C(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC000188094230 154149755 /nfs/dbraw/zinc/14/97/55/154149755.db2.gz NZXRTXUDKBITLA-LLVKDONJSA-N 0 0 344.371 -0.183 10 0 EBAERN O=C(N[C@H]1CCCn2ncnc21)c1cc(N2CCNC(=O)C2)ccn1 ZINC000188285485 154150338 /nfs/dbraw/zinc/15/03/38/154150338.db2.gz CJRCWEGBXBWOET-LBPRGKRZSA-N 0 0 341.375 -0.126 10 0 EBAERN Cc1cc(N2CCN(C(=O)C(C)(C)NS(C)(=O)=O)CC2)n[nH]1 ZINC000189772381 154154008 /nfs/dbraw/zinc/15/40/08/154154008.db2.gz SWPTVYLPCZXSJV-UHFFFAOYSA-N 0 0 329.426 -0.305 10 0 EBAERN CCn1cc([C@@H]2CN(CC(=O)N3CCN(C(C)=O)CC3)CCO2)cn1 ZINC000190786936 154154771 /nfs/dbraw/zinc/15/47/71/154154771.db2.gz PRQYRUZYIIXEDQ-INIZCTEOSA-N 0 0 349.435 -0.033 10 0 EBAERN CCn1cc([C@H]2CN(C(=O)Cn3ccc(=O)n(C)c3=O)CCO2)cn1 ZINC000191730564 154156941 /nfs/dbraw/zinc/15/69/41/154156941.db2.gz UNJZDTZWRYJBNS-CYBMUJFWSA-N 0 0 347.375 -0.637 10 0 EBAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCN(Cc2ccon2)CC1 ZINC000192023563 154157615 /nfs/dbraw/zinc/15/76/15/154157615.db2.gz OCYVCCWFGMNPIY-NSHDSACASA-N 0 0 330.410 -0.401 10 0 EBAERN O=C(NC[C@H](O)CN1CCOCC1)c1cc2ccccc2[nH]c1=O ZINC000192708034 154158920 /nfs/dbraw/zinc/15/89/20/154158920.db2.gz PUXGNUUCANEEHU-ZDUSSCGKSA-N 0 0 331.372 -0.049 10 0 EBAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCN(c3cnccn3)CC2)C1 ZINC000192558910 154159064 /nfs/dbraw/zinc/15/90/64/154159064.db2.gz YTTAWPUJOYLMHC-ZDUSSCGKSA-N 0 0 332.408 -0.678 10 0 EBAERN C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@H]2COCCN2)CC1 ZINC000237651523 154173409 /nfs/dbraw/zinc/17/34/09/154173409.db2.gz DPHQFTUOOMNEFP-HUUCEWRRSA-N 0 0 338.452 -0.480 10 0 EBAERN O=C(NCc1ccccn1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000242912904 154178292 /nfs/dbraw/zinc/17/82/92/154178292.db2.gz GUGXBXLMNGLWQC-WCQYABFASA-N 0 0 337.401 -0.267 10 0 EBAERN CNc1cc(N2CCC[C@H]2CNC(=O)[C@H]2CN(C)CCO2)ncn1 ZINC000245433144 154180263 /nfs/dbraw/zinc/18/02/63/154180263.db2.gz OZDRNXMKUSXUBU-QWHCGFSZSA-N 0 0 334.424 -0.066 10 0 EBAERN Cn1ccnc1[C@H]1CNCCN1C(=O)CNC(=O)c1ccccn1 ZINC000261738273 154199889 /nfs/dbraw/zinc/19/98/89/154199889.db2.gz NQRGMIZFEQBVII-CYBMUJFWSA-N 0 0 328.376 -0.282 10 0 EBAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262303467 154223153 /nfs/dbraw/zinc/22/31/53/154223153.db2.gz PUTDJLAJNVUULS-JBLDHEPKSA-N 0 0 345.396 -0.811 10 0 EBAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262303472 154223383 /nfs/dbraw/zinc/22/33/83/154223383.db2.gz PUTDJLAJNVUULS-UMNHJUIQSA-N 0 0 345.396 -0.811 10 0 EBAERN 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CS(=O)(=O)N[C@@H]1CCN(C(=O)NC[C@@H]2CCc3nccn3C2)C1 ZINC000408277471 376820294 /nfs/dbraw/zinc/82/02/94/376820294.db2.gz AMNBWZLHJPTTRP-NWDGAFQWSA-N 0 0 341.437 -0.221 10 0 EBAERN C[C@@H]1CN(C(=O)NCCN2CCOC(C)(C)C2)C[C@H](C(N)=O)O1 ZINC000408276019 376820622 /nfs/dbraw/zinc/82/06/22/376820622.db2.gz FYCLNYCWVUWYJK-VXGBXAGGSA-N 0 0 328.413 -0.619 10 0 EBAERN C[C@@H]1CN(C(=O)NCCN2CCOC(C)(C)C2)C[C@@H](C(N)=O)O1 ZINC000408276018 376821502 /nfs/dbraw/zinc/82/15/02/376821502.db2.gz FYCLNYCWVUWYJK-NEPJUHHUSA-N 0 0 328.413 -0.619 10 0 EBAERN Cn1cc([C@@]2(C)CN(S(=O)(=O)N3CCOCC3)CCO2)cn1 ZINC000408288698 376833481 /nfs/dbraw/zinc/83/34/81/376833481.db2.gz ZNSGGOWNDXTQBE-CYBMUJFWSA-N 0 0 330.410 -0.456 10 0 EBAERN Cn1c(=O)ccn(CC(=O)N2CCC[C@](O)(C(F)(F)F)C2)c1=O ZINC000408305220 376844862 /nfs/dbraw/zinc/84/48/62/376844862.db2.gz ICADMNMNHJSCFQ-GFCCVEGCSA-N 0 0 335.282 -0.537 10 0 EBAERN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C2=CCOCC2)CC1 ZINC000408306173 376845836 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154154270 /nfs/dbraw/zinc/15/42/70/154154270.db2.gz LOEWUHQKNZRFPA-OAHLLOKOSA-N 0 0 331.420 -0.352 10 0 EBAERN O=C(NCc1ccccn1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000242912902 154178011 /nfs/dbraw/zinc/17/80/11/154178011.db2.gz GUGXBXLMNGLWQC-AAEUAGOBSA-N 0 0 337.401 -0.267 10 0 EBAERN Cn1ccc(N2CCC[C@@H](N3CC[C@@H](NS(C)(=O)=O)C3)C2=O)n1 ZINC000247491271 154185750 /nfs/dbraw/zinc/18/57/50/154185750.db2.gz KYXWBMDARQEOII-VXGBXAGGSA-N 0 0 341.437 -0.461 10 0 EBAERN COc1cc(OC)cc(N2CC[C@@H](NC(=O)[C@@H]3COCCN3)C2=O)c1 ZINC000262635021 154240881 /nfs/dbraw/zinc/24/08/81/154240881.db2.gz MODDSSFGDDUFIT-CABCVRRESA-N 0 0 349.387 -0.086 10 0 EBAERN Cc1cc(N2CCC[C@H](NC(=O)N[C@@H]3CC(=O)N(C)C3)C2=O)n(C)n1 ZINC000267758415 154390179 /nfs/dbraw/zinc/39/01/79/154390179.db2.gz WKWGOJBCQZPTSM-NEPJUHHUSA-N 0 0 348.407 -0.246 10 0 EBAERN NS(=O)(=O)N1CCN(C(=O)[C@H]2CCO[C@@H]2c2cccnc2)CC1 ZINC000276589300 154702219 /nfs/dbraw/zinc/70/22/19/154702219.db2.gz IDUUDKRNCIPNSI-QWHCGFSZSA-N 0 0 340.405 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157663428 /nfs/dbraw/zinc/66/34/28/157663428.db2.gz HACAKYCVYVJSQT-ONGXEEELSA-N 0 0 340.380 -0.404 10 0 EBAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000407988405 157701537 /nfs/dbraw/zinc/70/15/37/157701537.db2.gz COFDPKOJEWZNFQ-QWRGUYRKSA-N 0 0 332.426 -0.670 10 0 EBAERN CN1CCOC[C@H]1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000408031957 157705530 /nfs/dbraw/zinc/70/55/30/157705530.db2.gz QTTIDUZFKGABAI-KGLIPLIRSA-N 0 0 325.409 -0.586 10 0 EBAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC000408055232 157708038 /nfs/dbraw/zinc/70/80/38/157708038.db2.gz XBYHZVJTPPNMEN-BLLLJJGKSA-N 0 0 325.409 -0.125 10 0 EBAERN CC[C@H](NC(=O)[C@@]1(O)CCCN(C(C)=O)C1)C(=O)N1CCOCC1 ZINC000408054422 157708641 /nfs/dbraw/zinc/70/86/41/157708641.db2.gz RYMCTMQJBQNFBS-XJKSGUPXSA-N 0 0 341.408 -0.887 10 0 EBAERN Cc1cc(N2CCC[C@H](NC(=O)C3(O)CCOCC3)C2=O)n(C)n1 ZINC000408320766 157720495 /nfs/dbraw/zinc/72/04/95/157720495.db2.gz OXJJXTUTNFAITH-LBPRGKRZSA-N 0 0 336.392 -0.118 10 0 EBAERN 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O=C(CN1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1)NCc1ccccc1 ZINC000194862789 420722515 /nfs/dbraw/zinc/72/25/15/420722515.db2.gz ZUEIKLLWAZEJFU-HNNXBMFYSA-N 0 0 344.415 -0.417 10 0 EBAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CSC[C@H]1C(=O)N(C)C(C)C ZINC000368906343 278068666 /nfs/dbraw/zinc/06/86/66/278068666.db2.gz QXTFYMOGORBDGV-XQQFMLRXSA-N 0 0 343.449 -0.264 10 0 EBAERN CC(=O)NC1CN(C(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)C1 ZINC000276122220 278091397 /nfs/dbraw/zinc/09/13/97/278091397.db2.gz GYNJQGFJUARRKT-CABCVRRESA-N 0 0 335.404 -0.226 10 0 EBAERN CC(=O)OC[C@@H]1O[C@@H]2O[C@H](C)O[C@@H]2[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000248024334 278219149 /nfs/dbraw/zinc/21/91/49/278219149.db2.gz NBWFYJVPTWVPKZ-WFQJECDVSA-N 0 0 332.305 -0.101 10 0 EBAERN CC(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000408141318 280330782 /nfs/dbraw/zinc/33/07/82/280330782.db2.gz UITQEWYVFJBWJX-RDBSUJKOSA-N 0 0 347.481 -0.261 10 0 EBAERN CC[C@H](CO)N1CCN(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)CC1 ZINC000408435387 280842073 /nfs/dbraw/zinc/84/20/73/280842073.db2.gz WUNFFTRUXPQBRC-HZSPNIEDSA-N 0 0 335.470 -0.271 10 0 EBAERN C[C@@H]1[C@@H](CCNS(C)(=O)=O)COCCN1C(=O)c1cnccn1 ZINC000249695533 288978565 /nfs/dbraw/zinc/97/85/65/288978565.db2.gz QXGLWJDRUOZBQY-NEPJUHHUSA-N 0 0 342.421 -0.107 10 0 EBAERN Cc1oc(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)cc1S(N)(=O)=O ZINC000408021528 294030477 /nfs/dbraw/zinc/03/04/77/294030477.db2.gz JAWLQIGXLZSPFE-GHMZBOCLSA-N 0 0 343.405 -0.219 10 0 EBAERN CO[C@@]1(C(=O)N2CCC[C@@](O)(C(=O)N3CCCC3)C2)CCOC1 ZINC000329083965 294110889 /nfs/dbraw/zinc/11/08/89/294110889.db2.gz SSMFXZLXMKYGCV-HOTGVXAUSA-N 0 0 326.393 -0.232 10 0 EBAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC000329565486 297805639 /nfs/dbraw/zinc/80/56/39/297805639.db2.gz KKMBOLHKEHAMBY-ZIAGYGMSSA-N 0 0 345.465 -0.962 10 0 EBAERN C[C@H](C(=O)N1CCC[C@@H]1C(=O)N1CCSCC1)S(C)(=O)=O ZINC000361363122 298031384 /nfs/dbraw/zinc/03/13/84/298031384.db2.gz DPQDAQQFJPKEKM-GHMZBOCLSA-N 0 0 334.463 -0.014 10 0 EBAERN 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/nfs/dbraw/zinc/57/30/89/526573089.db2.gz HTCKWGUKLNLJIM-HNNXBMFYSA-N 0 0 345.403 -0.251 10 0 EBAERN Cn1ncc2c1ncn(CC(=O)NC[C@@H](O)Cc1ccccc1)c2=O ZINC000104917321 527584699 /nfs/dbraw/zinc/58/46/99/527584699.db2.gz ZQRYHGPVUNUBPM-ZDUSSCGKSA-N 0 0 341.371 -0.150 10 0 EBAERN O=C(NC[C@H](O)CN1CCOCC1)c1cccc(-n2cncn2)c1 ZINC000128160127 545745696 /nfs/dbraw/zinc/74/56/96/545745696.db2.gz GGNAZENMUQOYTO-HNNXBMFYSA-N 0 0 331.376 -0.310 10 0 EBAERN C[C@H]1OCC[C@@H]1NC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000332764654 545845502 /nfs/dbraw/zinc/84/55/02/545845502.db2.gz ILPJLTKUFNEVCM-MNOVXSKESA-N 0 0 337.467 -0.158 10 0 EBAERN Cn1cc(N2CCC[C@@H](NC(=O)N[C@@H]3CCCNC3=O)C2=O)cn1 ZINC000332931423 545849662 /nfs/dbraw/zinc/84/96/62/545849662.db2.gz RQMQVRBAGZIRCW-VXGBXAGGSA-N 0 0 334.380 -0.507 10 0 EBAERN O=C(N1CCS(=O)(=O)CC1)N1CCO[C@@H](COCC2CC2)C1 ZINC000333009444 545854461 /nfs/dbraw/zinc/85/44/61/545854461.db2.gz FNHHUVFUYRFMGS-CYBMUJFWSA-N 0 0 332.422 -0.036 10 0 EBAERN CNS(=O)(=O)N1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333108162 545857689 /nfs/dbraw/zinc/85/76/89/545857689.db2.gz DOEWHHQLKPGRRB-GRYCIOLGSA-N 0 0 337.467 -0.413 10 0 EBAERN O=C(NC[C@H]1CCC[C@H]1O)Nc1ccn(CCN2CCOCC2)n1 ZINC000333483604 545862883 /nfs/dbraw/zinc/86/28/83/545862883.db2.gz SYZUNSUAUMUXDM-ZIAGYGMSSA-N 0 0 337.424 0.498 10 0 EBAERN CNC(=O)[C@H]([NH2+]CC(=O)NCC(C)(C)N1CCOCC1)C(C)C ZINC000183650867 546413711 /nfs/dbraw/zinc/41/37/11/546413711.db2.gz VIALMZXVUFAKCY-CQSZACIVSA-N 0 0 328.457 -0.426 10 0 EBAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(S(=O)(=O)c3ccccn3)C2)C1 ZINC000888097733 582605676 /nfs/dbraw/zinc/60/56/76/582605676.db2.gz NICCXMUJFWMFEO-SNVBAGLBSA-N 0 0 338.389 -0.951 10 0 EBAERN CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3c[nH]nc3C3CC3)C2)C1 ZINC000888098385 582605694 /nfs/dbraw/zinc/60/56/94/582605694.db2.gz JXKQLZHSPORHGN-JTQLQIEISA-N 0 0 331.376 -0.294 10 0 EBAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(c3ncnc4c3ncn4C)C2)C1 ZINC000888098582 582605717 /nfs/dbraw/zinc/60/57/17/582605717.db2.gz INOXVRPTECJASF-SECBINFHSA-N 0 0 329.364 -0.854 10 0 EBAERN CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)C(C)(C)OC(C)C)C2)C1 ZINC000888098689 582605744 /nfs/dbraw/zinc/60/57/44/582605744.db2.gz SJFXALMGAOVCJG-NSHDSACASA-N 0 0 325.409 -0.005 10 0 EBAERN O=C([O-])[C@]1([NH+]2CCN(Cc3nnc4n3CCOC4)CC2)CCOC1 ZINC000888102817 582605971 /nfs/dbraw/zinc/60/59/71/582605971.db2.gz OJWVTEAYWPFVMQ-HNNXBMFYSA-N 0 0 337.380 -0.830 10 0 EBAERN O=C(NCCS(=O)(=O)C(F)(F)F)[C@@H]1CN2CCC[C@H]2CO1 ZINC000898677955 582737582 /nfs/dbraw/zinc/73/75/82/582737582.db2.gz AEJKKCCOMGWPFY-IUCAKERBSA-N 0 0 330.328 -0.100 10 0 EBAERN O=C([O-])[C@H]1C[NH2+]C[C@@H]1c1ccc(S(=O)(=O)N2CCNCC2)cc1 ZINC000757193125 583660043 /nfs/dbraw/zinc/66/00/43/583660043.db2.gz VPAPBOJAPQACCH-KGLIPLIRSA-N 0 0 339.417 -0.332 10 0 EBAERN Cc1noc([C@@H](C)N2CCN(Cn3nc4cnccn4c3=O)CC2)n1 ZINC000133033360 584607685 /nfs/dbraw/zinc/60/76/85/584607685.db2.gz QAJOBGLXDJMQGQ-LLVKDONJSA-N 0 0 344.379 -0.081 10 0 EBAERN O=C([O-])[C@]1([NH+]2CCN(CC(=O)N3CCCCC3)CC2)CCOC1 ZINC000886071751 584655708 /nfs/dbraw/zinc/65/57/08/584655708.db2.gz FNMFGSZYPVJTIF-INIZCTEOSA-N 0 0 325.409 -0.140 10 0 EBAERN COc1nc(C)nc(N2CCN([C@]3(C(N)=O)CCOC3)CC2)c1C ZINC000886095050 584656202 /nfs/dbraw/zinc/65/62/02/584656202.db2.gz KVXBFKDEWYEBNH-MRXNPFEDSA-N 0 0 335.408 -0.132 10 0 EBAERN CN1CCO[C@H](CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000074773805 584667112 /nfs/dbraw/zinc/66/71/12/584667112.db2.gz LEERTKCTBDMYJZ-SECBINFHSA-N 0 0 326.378 -0.535 10 0 EBAERN CCOC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000170332645 649979124 /nfs/dbraw/zinc/97/91/24/649979124.db2.gz FAGQWVDCCMHGRH-VXGBXAGGSA-N 0 0 327.381 -0.077 10 0 EBAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C)CC1 ZINC000192955507 649982029 /nfs/dbraw/zinc/98/20/29/649982029.db2.gz VKZVTGKLVIROKZ-LLVKDONJSA-N 0 0 336.417 -0.112 10 0 EBAERN O=C(CNC(=O)C[C@H]1CS(=O)(=O)CCN1)NCc1ccccc1 ZINC000303320446 649993221 /nfs/dbraw/zinc/99/32/21/649993221.db2.gz ZINFLSFUGYOZME-ZDUSSCGKSA-N 0 0 339.417 -0.804 10 0 EBAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)[C@@H]2CNC(=O)C2)C1 ZINC000705715690 650036266 /nfs/dbraw/zinc/03/62/66/650036266.db2.gz ZTCPDXJXNHEVCL-AXFHLTTASA-N 0 0 327.381 -0.534 10 0 EBAERN O=S(=O)(CCCN1CCOCC1)NC[C@@H]1CCNCC1(F)F ZINC000905345754 650062901 /nfs/dbraw/zinc/06/29/01/650062901.db2.gz XNFWMTZJHBINCR-LBPRGKRZSA-N 0 0 341.424 -0.127 10 0 EBAERN O=c1ccn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(C2SCCCS2)n1 ZINC000100356486 219097685 /nfs/dbraw/zinc/09/76/85/219097685.db2.gz AFDQPGWEHYBTAF-LTGWCKQJSA-N 0 0 346.430 -0.277 10 0 EBAERN Cn1c(N)c(C(=O)CN2NC(=O)CC23CCCCC3)c(=O)n(C)c1=O ZINC000289398197 282575583 /nfs/dbraw/zinc/57/55/83/282575583.db2.gz RSZRPYVSSCRNTB-UHFFFAOYSA-N 0 0 349.391 -0.711 10 0 EBAERN CCN(C(=S)N[C@@H]1C=CS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000039287163 213233385 /nfs/dbraw/zinc/23/33/85/213233385.db2.gz KTICUFHHUCCJGG-NXEZZACHSA-N 0 0 338.476 -0.319 10 0 EBAERN CC[C@H](O)CN1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000408096452 376189496 /nfs/dbraw/zinc/18/94/96/376189496.db2.gz CCYVXVWAZCCIJE-AWEZNQCLSA-N 0 0 347.481 -0.427 10 0 EBAERN Cc1cc(=O)oc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3[NH3+])ccc12 ZINC000022064033 212274012 /nfs/dbraw/zinc/27/40/12/212274012.db2.gz XPBYRVZLJCNXMD-ZIRHEVKLSA-N 0 0 337.328 -0.753 10 0 in-vitro EBAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000408333635 291381749 /nfs/dbraw/zinc/38/17/49/291381749.db2.gz GQOSZSBUBWIHLZ-AXFHLTTASA-N 0 0 339.435 -0.223 10 0 EBAERN OC[C@@H]1O[C@@H](Oc2c[nH]c3cccc(Cl)c23)[C@H](O)[C@H](O)[C@H]1O ZINC000015206383 211807972 /nfs/dbraw/zinc/80/79/72/211807972.db2.gz KSDIRCXIOJIPAQ-DDNMXHNFSA-N 0 0 329.736 0.000 10 0 EBAERN CC[C@H](O)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C ZINC000000158212 375868541 /nfs/dbraw/zinc/86/85/41/375868541.db2.gz YEMXJLIZWCYLAX-LURJTMIESA-N 0 0 331.170 -0.033 10 0 EBAERN OC[C@@H]1O[C@@H](Oc2c[nH]c3cc(Cl)ccc23)[C@@H](O)[C@H](O)[C@@H]1O ZINC000002583760 375868680 /nfs/dbraw/zinc/86/86/80/375868680.db2.gz OQWBAXBVBGNSPW-MQLXINIDSA-N 0 0 329.736 0.000 10 0 EBAERN CC1(C)CNC(=O)CN1S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000407952696 375912891 /nfs/dbraw/zinc/91/28/91/375912891.db2.gz ACVIBVLVNKCIGW-UHFFFAOYSA-N 0 0 346.430 -0.011 10 0 EBAERN CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H](C)[C@H]2CCCO2)CC1 ZINC000045683080 375992038 /nfs/dbraw/zinc/99/20/38/375992038.db2.gz CHTBEWSDMYIEFS-CHWSQXEVSA-N 0 0 340.424 -0.068 10 0 EBAERN Cc1nnc2ccc(N3CCN(CCN4C(=O)CNC4=O)CC3)nn12 ZINC000072279606 376027746 /nfs/dbraw/zinc/02/77/46/376027746.db2.gz RQMKTSWEOLMASB-UHFFFAOYSA-N 0 0 344.379 -0.893 10 0 EBAERN CC(=O)n1cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c2ccccc21 ZINC000015206363 375987048 /nfs/dbraw/zinc/98/70/48/375987048.db2.gz BVTHTINNTYALID-YIDVYQOGSA-N 0 0 337.328 -0.520 10 0 EBAERN CC(=O)OC[C@H]1O[C@@H](O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000015206191 375987948 /nfs/dbraw/zinc/98/79/48/375987948.db2.gz IEOLRPPTIGNUNP-DHGKCCLASA-N 0 0 348.304 -0.938 10 0 EBAERN CCCN(CC1CC1)S(=O)(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000408011011 376279919 /nfs/dbraw/zinc/27/99/19/376279919.db2.gz NYKJKQSKONQILF-LLVKDONJSA-N 0 0 325.456 -0.284 10 0 EBAERN Cc1oc(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)cc1S(N)(=O)=O ZINC000408021531 376283242 /nfs/dbraw/zinc/28/32/42/376283242.db2.gz JAWLQIGXLZSPFE-WDEREUQCSA-N 0 0 343.405 -0.219 10 0 EBAERN C[C@@H]1CC(=O)N[C@H](C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)C1 ZINC000408021692 376283837 /nfs/dbraw/zinc/28/38/37/376283837.db2.gz JEBOXNJFKPLGSI-YFKTTZPYSA-N 0 0 331.438 -0.265 10 0 EBAERN C[C@@H]1CN(S(=O)(=O)N[C@@]2(C)CCS(=O)(=O)C2)[C@@H](C)CO1 ZINC000408025264 376285565 /nfs/dbraw/zinc/28/55/65/376285565.db2.gz PVRRKWCXNZMZFU-AXFHLTTASA-N 0 0 326.440 -0.493 10 0 EBAERN Cc1noc([C@H]2CN(S(=O)(=O)c3ccnn3C)CCN2C)n1 ZINC000408027197 376286075 /nfs/dbraw/zinc/28/60/75/376286075.db2.gz LZRLAPRGGRUFDP-SNVBAGLBSA-N 0 0 326.382 -0.211 10 0 EBAERN CN1CC[C@H]2OCCN(S(=O)(=O)CCCS(C)(=O)=O)[C@@H]2C1 ZINC000408028914 376286934 /nfs/dbraw/zinc/28/69/34/376286934.db2.gz RGZMDTFBPHGIQZ-VXGBXAGGSA-N 0 0 340.467 -0.844 10 0 EBAERN Cc1noc([C@@H]2[C@@H](C)OCCN2S(=O)(=O)[C@H](C)C(=O)N(C)C)n1 ZINC000408028993 376289021 /nfs/dbraw/zinc/28/90/21/376289021.db2.gz ALRZKBIASBZSHK-KKZNHRDASA-N 0 0 346.409 -0.054 10 0 EBAERN CCc1nnc([C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CCO2)[nH]1 ZINC000408033058 376291050 /nfs/dbraw/zinc/29/10/50/376291050.db2.gz HEKUBKMCNSSGBR-OLZOCXBDSA-N 0 0 334.424 -0.343 10 0 EBAERN CNS(=O)(=O)c1ccc(N2CC[C@H]3[C@@H](C2)NC(=O)N3C)nc1 ZINC000408033970 376292139 /nfs/dbraw/zinc/29/21/39/376292139.db2.gz CBBSWYLSBOCFAO-MNOVXSKESA-N 0 0 325.394 -0.408 10 0 EBAERN CN1CCO[C@@H]2CCN(C(=O)NCCCN3CCOCC3)C[C@H]21 ZINC000408042962 376294120 /nfs/dbraw/zinc/29/41/20/376294120.db2.gz NOLRQICBRDKWSH-HUUCEWRRSA-N 0 0 326.441 -0.177 10 0 EBAERN CN1CCOC[C@@H]1C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408049719 376296437 /nfs/dbraw/zinc/29/64/37/376296437.db2.gz DPOOCWXYAREQPC-FRRDWIJNSA-N 0 0 329.372 -0.885 10 0 EBAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@H](C)[C@H](C)N2CCOCC2)C1 ZINC000408051816 376297443 /nfs/dbraw/zinc/29/74/43/376297443.db2.gz REAAVVUVOKGSPJ-DVOMOZLQSA-N 0 0 327.425 -0.415 10 0 EBAERN CC(C)C(=O)N1CCCC[C@H]1C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000408057255 376298721 /nfs/dbraw/zinc/29/87/21/376298721.db2.gz RLVRLSACEMMSGW-BLLLJJGKSA-N 0 0 325.409 -0.138 10 0 EBAERN O=C(CN1CSCC1=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408054974 376299121 /nfs/dbraw/zinc/29/91/21/376299121.db2.gz VMBMYIIIIFQBDV-MNOVXSKESA-N 0 0 345.396 -0.683 10 0 EBAERN CN1CC(=O)N(CC(=O)N2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)C1=O ZINC000408066096 376303132 /nfs/dbraw/zinc/30/31/32/376303132.db2.gz UKPPEBDTVGUCMT-XQQFMLRXSA-N 0 0 339.392 -0.341 10 0 EBAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCn2ccnc2C1 ZINC000408200281 376417401 /nfs/dbraw/zinc/41/74/01/376417401.db2.gz BMMMUEVQJLDKKQ-LLVKDONJSA-N 0 0 328.394 -0.029 10 0 EBAERN C[C@H](NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)C(=O)N1CCOCC1 ZINC000408114807 376375639 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340.468 -0.501 10 0 EBAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CS(=O)(=O)CCOC)C1 ZINC000262720089 154244576 /nfs/dbraw/zinc/24/45/76/154244576.db2.gz PGUPYQGVNNHCMU-UHFFFAOYSA-N 0 0 336.410 -0.899 10 0 EBAERN Cc1noc([C@H](C)N2CCN(C(=O)N[C@@H]3CC(=O)N(C)C3)CC2)n1 ZINC000267520756 154378582 /nfs/dbraw/zinc/37/85/82/154378582.db2.gz ULJIZXSSGHIBCA-CMPLNLGQSA-N 0 0 336.396 -0.003 10 0 EBAERN Cn1c(=O)c2cc(C(=O)N[C@@H]3CCCC[C@@H]3O)cnc2n(C)c1=O ZINC000269426940 154447300 /nfs/dbraw/zinc/44/73/00/154447300.db2.gz QBTHTNZAPUXINK-NEPJUHHUSA-N 0 0 332.360 -0.335 10 0 EBAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC2)C1 ZINC000332763622 155486642 /nfs/dbraw/zinc/48/66/42/155486642.db2.gz YWLMZMCNOFNIAN-MDZLAQPJSA-N 0 0 344.437 -0.623 10 0 EBAERN Cc1nc(C)n(C[C@H]2CN(C(=O)[C@@H](C)N3CCOCC3)CCO2)n1 ZINC000333108442 155495662 /nfs/dbraw/zinc/49/56/62/155495662.db2.gz WXCMFTKKBWCUAF-IUODEOHRSA-N 0 0 337.424 -0.157 10 0 EBAERN CO[C@H]1C[C@H](C(=O)Nc2c(C)ccn(C)c2=O)N(S(C)(=O)=O)C1 ZINC000333170503 155497149 /nfs/dbraw/zinc/49/71/49/155497149.db2.gz KFGYOFRPBKPHMB-WDEREUQCSA-N 0 0 343.405 -0.319 10 0 EBAERN COC(=O)[C@@H]1CN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)CCO1 ZINC000343657731 156154055 /nfs/dbraw/zinc/15/40/55/156154055.db2.gz BWYNAPYYZGSTKP-FZMZJTMJSA-N 0 0 348.355 -0.483 10 0 EBAERN CCS(=O)(=O)N1CCC[C@H](C(=O)N2C[C@H](OC)C[C@H]2CO)C1 ZINC000345516028 156339081 /nfs/dbraw/zinc/33/90/81/156339081.db2.gz GTEBHQFGEBRREK-RWMBFGLXSA-N 0 0 334.438 -0.344 10 0 EBAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000355505260 157006888 /nfs/dbraw/zinc/00/68/88/157006888.db2.gz GIVWEJWFHKPGTI-QWRGUYRKSA-N 0 0 329.378 -0.610 10 0 EBAERN CCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H](O)CN2C(C)=O)C1 ZINC000357603879 157160912 /nfs/dbraw/zinc/16/09/12/157160912.db2.gz WWUCKJBUOIFEDV-RDBSUJKOSA-N 0 0 325.409 -0.267 10 0 EBAERN CS(=O)(=O)N1CCO[C@H]2CN(C(=O)c3ccncn3)C[C@H]2C1 ZINC000247518589 286611538 /nfs/dbraw/zinc/61/15/38/286611538.db2.gz KQOIAAMFVZOSKW-JQWIXIFHSA-N 0 0 326.378 -0.791 10 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/nfs/dbraw/zinc/72/57/76/157725776.db2.gz OPKFAJHJGOUZLH-DGCLKSJQSA-N 0 0 343.449 -0.120 10 0 EBAERN CC[C@@H](O)CN1CCN(C(=O)[C@]2(O)CCCN(C(C)=O)C2)CC1 ZINC000408050396 286942575 /nfs/dbraw/zinc/94/25/75/286942575.db2.gz JENMIWPIMRWMIG-ZBFHGGJFSA-N 0 0 327.425 -0.725 10 0 EBAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000234588401 419020205 /nfs/dbraw/zinc/02/02/05/419020205.db2.gz CMFCRPQRAKGJJA-MXWKQRLJSA-N 0 0 339.435 -0.175 10 0 EBAERN CCS(=O)(=O)NCCNC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177404765 418981542 /nfs/dbraw/zinc/98/15/42/418981542.db2.gz JQBGRLXLVZSRSM-GFCCVEGCSA-N 0 0 329.426 -0.004 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000318546153 419111954 /nfs/dbraw/zinc/11/19/54/419111954.db2.gz SCRKSSSDUTUVCQ-RWMBFGLXSA-N 0 0 334.438 -0.201 10 0 EBAERN CNC(=O)CN1CCC(NS(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000408238105 419057387 /nfs/dbraw/zinc/05/73/87/419057387.db2.gz SWOIHLPQPOTOTN-NWDGAFQWSA-N 0 0 348.469 -0.860 10 0 EBAERN Cc1csc2ncc(C(=O)N3CCO[C@H](C)[C@H]3C(N)=O)c(=O)n12 ZINC000408066549 419189209 /nfs/dbraw/zinc/18/92/09/419189209.db2.gz ZMGYTMIMMWTFCJ-SCZZXKLOSA-N 0 0 336.373 -0.221 10 0 EBAERN Cc1ccc(S(=O)(=O)N2CC(=O)NCC2(C)C)cc1C(N)=O ZINC000407953207 419127078 /nfs/dbraw/zinc/12/70/78/419127078.db2.gz CERFDWRPOAXHGB-UHFFFAOYSA-N 0 0 325.390 -0.007 10 0 EBAERN CN(C1CCN(C(=O)NCC(=O)NC(C)(C)C)CC1)S(C)(=O)=O ZINC000407976072 419128499 /nfs/dbraw/zinc/12/84/99/419128499.db2.gz MBDRDHJQSVHBFN-UHFFFAOYSA-N 0 0 348.469 -0.034 10 0 EBAERN CNC(=O)CN1CCC(NS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)CC1 ZINC000408238108 419244154 /nfs/dbraw/zinc/24/41/54/419244154.db2.gz SWOIHLPQPOTOTN-RYUDHWBXSA-N 0 0 348.469 -0.860 10 0 EBAERN Cc1cc(C(=O)N2CCN(C)C[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000408197731 419235202 /nfs/dbraw/zinc/23/52/02/419235202.db2.gz MKALSGXCCIXHBF-LLVKDONJSA-N 0 0 345.403 -0.283 10 0 EBAERN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000178784713 419775599 /nfs/dbraw/zinc/77/55/99/419775599.db2.gz 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ZINC000408241000 264689930 /nfs/dbraw/zinc/68/99/30/264689930.db2.gz RNYHJRXWRLQAPL-SECBINFHSA-N 0 0 334.380 -0.132 10 0 EBAERN Cn1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)cn1 ZINC000408242190 264690239 /nfs/dbraw/zinc/69/02/39/264690239.db2.gz RDNWEPJAHKZTDQ-MNOVXSKESA-N 0 0 336.439 -0.441 10 0 EBAERN CC[C@@H](O)CN1CCN(C(=O)CNC(=O)NCc2ccco2)CC1 ZINC000106396799 276443800 /nfs/dbraw/zinc/44/38/00/276443800.db2.gz CMHLZMUAGGAJHQ-CYBMUJFWSA-N 0 0 338.408 -0.006 10 0 EBAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC000366750675 277016355 /nfs/dbraw/zinc/01/63/55/277016355.db2.gz KUUNKFLJUFTQAV-RJZRQDKASA-N 0 0 341.452 -0.028 10 0 EBAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCN(CC(C)(C)O)CC2)C1 ZINC000408052518 278031546 /nfs/dbraw/zinc/03/15/46/278031546.db2.gz VKEZVFXUIMNMIK-MRXNPFEDSA-N 0 0 327.425 -0.725 10 0 EBAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CSC[C@H]1C(=O)NCC(C)C ZINC000368904431 278068628 /nfs/dbraw/zinc/06/86/28/278068628.db2.gz KDQMRURUNOXPQS-XQQFMLRXSA-N 0 0 343.449 -0.358 10 0 EBAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000330293576 278068692 /nfs/dbraw/zinc/06/86/92/278068692.db2.gz HXLIBMHAGKMODT-BEAPCOKYSA-N 0 0 325.409 -0.853 10 0 EBAERN CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@@H]2OC(=O)O[C@@H]2[C@H]1OC(C)=O ZINC000253494804 278219640 /nfs/dbraw/zinc/21/96/40/278219640.db2.gz YVYSWHGJPLCVAV-HGCLJGPKSA-N 0 0 332.261 -0.327 10 0 EBAERN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000368560595 278535415 /nfs/dbraw/zinc/53/54/15/278535415.db2.gz DGSOSKGLFLOVCF-QWHCGFSZSA-N 0 0 347.481 -0.117 10 0 EBAERN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[C@H](N2CCOCC2)C1 ZINC000173926256 279183969 /nfs/dbraw/zinc/18/39/69/279183969.db2.gz MYQBAKMHBQSGFP-HIFRSBDPSA-N 0 0 338.452 -0.482 10 0 EBAERN CN(C)S(=O)(=O)CCC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000408059211 289232551 /nfs/dbraw/zinc/23/25/51/289232551.db2.gz ABEXAQRHRXHWKL-XQQFMLRXSA-N 0 0 334.438 -0.344 10 0 EBAERN CS(=O)(=O)N1CC[C@@H]2O[C@H](COCCN3CCOCC3)CC[C@@H]21 ZINC000247522173 295523240 /nfs/dbraw/zinc/52/32/40/295523240.db2.gz LUAYZSFMARNNOJ-KKUMJFAQSA-N 0 0 348.465 -0.083 10 0 EBAERN C[C@@H]1CS(=O)(=O)CCN1C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000375196576 297170339 /nfs/dbraw/zinc/17/03/39/297170339.db2.gz WOOQXAVVIYZFKI-SUZMYJTESA-N 0 0 329.422 -0.128 10 0 EBAERN C[C@H](NC(=O)C1(N2CCOCC2)CCC1)C(=O)N1CCOCC1 ZINC000408082748 299031764 /nfs/dbraw/zinc/03/17/64/299031764.db2.gz YLIAICHSPWKDLM-ZDUSSCGKSA-N 0 0 325.409 -0.395 10 0 EBAERN COCCCNC(=O)[C@@H](C)N1CCN(Cc2nnc(C)n2C)CC1 ZINC000103493505 523346173 /nfs/dbraw/zinc/34/61/73/523346173.db2.gz NWNIVPICFUOYKS-CYBMUJFWSA-N 0 0 338.456 -0.218 10 0 EBAERN O=C(CCCS(=O)(=O)N1CCCC1)N[C@H]1CCc2ncnn2C1 ZINC000112648529 526451550 /nfs/dbraw/zinc/45/15/50/526451550.db2.gz WRFRKFDGCLRRLJ-LBPRGKRZSA-N 0 0 341.437 -0.085 10 0 EBAERN O=C(CN1CCS(=O)(=O)CC1)N1CCC(c2cc[nH]n2)CC1 ZINC000125010936 526797324 /nfs/dbraw/zinc/79/73/24/526797324.db2.gz RXZNHZGIPIRAJL-UHFFFAOYSA-N 0 0 326.422 -0.154 10 0 EBAERN Cc1nc(S(=O)(=O)NCCC(=O)N[C@H]2CCO[C@H]2C)cn1C ZINC000332766484 545845420 /nfs/dbraw/zinc/84/54/20/545845420.db2.gz ALIQBJYPIAACJH-ONGXEEELSA-N 0 0 330.410 -0.309 10 0 EBAERN Cc1nc(S(=O)(=O)NCCC(=O)N[C@H]2CCO[C@@H]2C)cn1C ZINC000332766483 545845830 /nfs/dbraw/zinc/84/58/30/545845830.db2.gz ALIQBJYPIAACJH-KOLCDFICSA-N 0 0 330.410 -0.309 10 0 EBAERN Cn1cc(N2CC[C@@H](NC(=O)N[C@@H]3CCc4ncnn4C3)C2=O)cn1 ZINC000332872857 545848787 /nfs/dbraw/zinc/84/87/87/545848787.db2.gz PJDIILGGSQJBJQ-ZYHUDNBSSA-N 0 0 344.379 -0.569 10 0 EBAERN C[C@H]1CN(C)CCN1C(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000333394983 545862379 /nfs/dbraw/zinc/86/23/79/545862379.db2.gz YADDWQOGRFIWCV-NILFDRSVSA-N 0 0 335.408 -0.519 10 0 EBAERN CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262390852 545971923 /nfs/dbraw/zinc/97/19/23/545971923.db2.gz XWPTWHSMPWVVJV-UFBFGSQYSA-N 0 0 331.369 -0.493 10 0 EBAERN CN(C[C@H]1CN(C)CCO1)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000074774770 546057020 /nfs/dbraw/zinc/05/70/20/546057020.db2.gz NHPUCLQTRPFQHE-CYBMUJFWSA-N 0 0 333.454 -0.553 10 0 EBAERN Cn1nncc1C(=O)N[C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C ZINC000888098936 582605762 /nfs/dbraw/zinc/60/57/62/582605762.db2.gz NBFQDQNGLCRXRV-GHMZBOCLSA-N 0 0 333.396 -0.221 10 0 EBAERN CN1CCO[C@@H](C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)C1=O ZINC000900092451 582761425 /nfs/dbraw/zinc/76/14/25/582761425.db2.gz JYNVLAZDFUHNIX-AAEUAGOBSA-N 0 0 338.385 -0.122 10 0 EBAERN Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3OCCN(C)C3=O)C2)nn1 ZINC000900756682 582780383 /nfs/dbraw/zinc/78/03/83/582780383.db2.gz SESWIONVDQFYIZ-TZMCWYRMSA-N 0 0 333.392 -0.273 10 0 EBAERN Cc1nocc1S(=O)(=O)N1C[C@@H](N(C)C)[C@@H](n2ccnn2)C1 ZINC000867562336 584411072 /nfs/dbraw/zinc/41/10/72/584411072.db2.gz WIGVAWWZTPXQLI-MNOVXSKESA-N 0 0 326.382 -0.250 10 0 EBAERN Cn1cc(C(=O)N2CCN([C@@]3(C(N)=O)CCOC3)CC2)c(C2CC2)n1 ZINC000886077575 584655820 /nfs/dbraw/zinc/65/58/20/584655820.db2.gz LGEKYAXRBFFZPJ-KRWDZBQOSA-N 0 0 347.419 -0.300 10 0 EBAERN Cn1ncc(C(=O)N2CCN([C@@]3(C(N)=O)CCOC3)CC2)c1C1CC1 ZINC000886096628 584656064 /nfs/dbraw/zinc/65/60/64/584656064.db2.gz MRTXZNDBMYYDBO-KRWDZBQOSA-N 0 0 347.419 -0.300 10 0 EBAERN O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cc(N2CCOCC2)ncn1 ZINC000886991590 584671589 /nfs/dbraw/zinc/67/15/89/584671589.db2.gz HEIFGBGOIMBOFN-ZIAGYGMSSA-N 0 0 348.403 -0.027 10 0 EBAERN Cc1noc(-c2cncn(CCC(=O)N3CCN(C)CC3)c2=O)n1 ZINC000222847107 649983248 /nfs/dbraw/zinc/98/32/48/649983248.db2.gz JXZDGJVWZVMJOQ-UHFFFAOYSA-N 0 0 332.364 -0.234 10 0 EBAERN CNC(=O)[C@]1(COC)CCCN1S(=O)(=O)c1c(C)cnn1C ZINC000643704134 650026622 /nfs/dbraw/zinc/02/66/22/650026622.db2.gz KWHYCLPFSLYYAN-CYBMUJFWSA-N 0 0 330.410 -0.356 10 0 EBAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)Cn2cncn2)[C@H](O)C1 ZINC000702811559 650035658 /nfs/dbraw/zinc/03/56/58/650035658.db2.gz ZAENBQLAEARQOK-GHMZBOCLSA-N 0 0 325.369 -0.378 10 0 EBAERN CN1C[C@H](C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1=O ZINC000702843503 650036193 /nfs/dbraw/zinc/03/61/93/650036193.db2.gz SWYYJGMGKIXHPS-UTUOFQBUSA-N 0 0 341.408 -0.191 10 0 EBAERN Cc1nc(S(=O)(=O)N(C)[C@H](C)C(N)=O)c(Br)n1C ZINC000711130406 650036430 /nfs/dbraw/zinc/03/64/30/650036430.db2.gz PZONPSJQAFXLCJ-RXMQYKEDSA-N 0 0 339.215 -0.015 10 0 EBAERN CC(C)c1nnc([C@@H]2COCCN2C(=O)[C@@H]2OCCN(C)C2=O)o1 ZINC000907559751 650086144 /nfs/dbraw/zinc/08/61/44/650086144.db2.gz OLMCMRKREICWFH-WDEREUQCSA-N 0 0 338.364 -0.050 10 0 EBAERN CC(=O)N(C[C@H]1CCCN1C(=O)C1CN(S(C)(=O)=O)C1)C1CC1 ZINC000907571510 650086695 /nfs/dbraw/zinc/08/66/95/650086695.db2.gz QCTQPMTYIIBICG-CQSZACIVSA-N 0 0 343.449 -0.120 10 0 EBAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)[C@H]2OCCN(C)C2=O)C1 ZINC000908092439 650096130 /nfs/dbraw/zinc/09/61/30/650096130.db2.gz AYUATHQJEHEIQH-AVGNSLFASA-N 0 0 339.392 -0.918 10 0 EBAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)[C@@H]2OCCN(C)C2=O)cn1 ZINC000911385927 650177728 /nfs/dbraw/zinc/17/77/28/650177728.db2.gz WTNFTTQOIMTRFJ-XQQFMLRXSA-N 0 0 338.364 -0.977 10 0 EBAERN C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1C(=O)C[C@@H]1CS(=O)(=O)CCN1C ZINC000911810750 650196723 /nfs/dbraw/zinc/19/67/23/650196723.db2.gz ZROSLKAJHMWQCB-WHOHXGKFSA-N 0 0 331.438 -0.771 10 0 EBAERN CNS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2CO)ccc1F ZINC000912420708 650204966 /nfs/dbraw/zinc/20/49/66/650204966.db2.gz MKZNWWACVSMTBJ-SNVBAGLBSA-N 0 0 332.353 -0.433 10 0 EBAERN Cn1c2[nH]c(CCC(=O)NC[C@H]3CCCO3)nc2c(=O)n(C)c1=O ZINC000222724163 719408687 /nfs/dbraw/zinc/40/86/87/719408687.db2.gz OCYXHPYHTLDZDH-SECBINFHSA-N 0 0 335.364 -0.812 10 0 EBAERN O=C(Cc1c[nH]c2ccccc12)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000004096346 210119583 /nfs/dbraw/zinc/11/95/83/210119583.db2.gz HHDMMUWDSFASNB-JZYAIQKZSA-N 0 0 337.328 -0.947 10 0 in-vitro EBAERN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](F)[C@@H](COC(C)=O)O[C@H]1OC(C)=O ZINC000003818770 210077563 /nfs/dbraw/zinc/07/75/63/210077563.db2.gz 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ZINC000238130417 154177399 /nfs/dbraw/zinc/17/73/99/154177399.db2.gz LGPXWEZPQGAZSL-OAHLLOKOSA-N 0 0 338.452 -0.478 10 0 EBAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCNC(=O)[C@@H]2c2ccccc2)C1 ZINC000247053112 154186435 /nfs/dbraw/zinc/18/64/35/154186435.db2.gz LMWORNIOKNAJCF-ZBFHGGJFSA-N 0 0 344.415 -0.117 10 0 EBAERN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247436911 154186888 /nfs/dbraw/zinc/18/68/88/154186888.db2.gz ZHCUBIYSLSPVCC-UKRRQHHQSA-N 0 0 349.435 -0.291 10 0 EBAERN C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262306507 154223596 /nfs/dbraw/zinc/22/35/96/154223596.db2.gz QBCLRMLTLXVGEK-AEJSXWLSSA-N 0 0 333.435 -0.889 10 0 EBAERN CCN(CC)S(=O)(=O)CCNC(=O)[C@H](NC)c1cnn(C)c1 ZINC000262520401 154235191 /nfs/dbraw/zinc/23/51/91/154235191.db2.gz KQSYFBZXXZCEHH-GFCCVEGCSA-N 0 0 331.442 -0.532 10 0 EBAERN CN[C@H](C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O)c1cnn(C)c1 ZINC000262557132 154237039 /nfs/dbraw/zinc/23/70/39/154237039.db2.gz PTDZOVAEICROEQ-UHTWSYAYSA-N 0 0 343.453 -0.485 10 0 EBAERN O=C(Cn1cnc(NC(=O)[C@H]2COCCN2)n1)NCc1ccccc1 ZINC000262608326 154239686 /nfs/dbraw/zinc/23/96/86/154239686.db2.gz HMZSOPBBFMGVKK-CYBMUJFWSA-N 0 0 344.375 -0.479 10 0 EBAERN CN1C(=O)c2ccc(S(=O)(=O)N3CCO[C@@H](CO)C3)cc2C1=O ZINC000269762063 154464149 /nfs/dbraw/zinc/46/41/49/154464149.db2.gz CJHWMDLNINJPHJ-SECBINFHSA-N 0 0 340.357 -0.706 10 0 EBAERN CCS(=O)(=O)N1CCC[C@H](C(=O)N2C[C@@H](OC)C[C@H]2CO)C1 ZINC000345516026 156338298 /nfs/dbraw/zinc/33/82/98/156338298.db2.gz GTEBHQFGEBRREK-AVGNSLFASA-N 0 0 334.438 -0.344 10 0 EBAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CSC[C@H]1C(=O)NCC(C)C ZINC000357597814 157159454 /nfs/dbraw/zinc/15/94/54/157159454.db2.gz KDQMRURUNOXPQS-UPJWGTAASA-N 0 0 343.449 -0.358 10 0 EBAERN CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)c1 ZINC000407953099 157699628 /nfs/dbraw/zinc/69/96/28/157699628.db2.gz BWXSYNKBQZUOMF-CHWSQXEVSA-N 0 0 337.401 -0.055 10 0 EBAERN CCn1c(C)nnc1CN1CCN(S(=O)(=O)NC(C)C)CC1 ZINC000408010097 157703213 /nfs/dbraw/zinc/70/32/13/157703213.db2.gz NEVVELCDBYKGEM-UHFFFAOYSA-N 0 0 330.458 -0.033 10 0 EBAERN CCS(=O)(=O)N1CCC(NC(=O)[C@@H](C)N2CCOCC2)CC1 ZINC000408005897 157703321 /nfs/dbraw/zinc/70/33/21/157703321.db2.gz WCCXHBOTDWCJFB-GFCCVEGCSA-N 0 0 333.454 -0.363 10 0 EBAERN CCc1nnc(CN2CCN(S(=O)(=O)NC(C)C)CC2)n1C ZINC000408008174 157703498 /nfs/dbraw/zinc/70/34/98/157703498.db2.gz HJTLYOUZNXOPGT-UHFFFAOYSA-N 0 0 330.458 -0.262 10 0 EBAERN CN1CCO[C@H]2CCN(S(=O)(=O)CCCS(C)(=O)=O)C[C@@H]21 ZINC000408017296 157704237 /nfs/dbraw/zinc/70/42/37/157704237.db2.gz QRDCKOXGHWWRBC-RYUDHWBXSA-N 0 0 340.467 -0.844 10 0 EBAERN CNC(=O)[C@@H]1CN(C(=O)[C@@H]2CSCN2C(=O)C2CCC2)CCO1 ZINC000408173366 157714062 /nfs/dbraw/zinc/71/40/62/157714062.db2.gz KDYUETMZCPLYPK-RYUDHWBXSA-N 0 0 341.433 -0.339 10 0 EBAERN CN(CC(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1)S(C)(=O)=O ZINC000408427447 157725582 /nfs/dbraw/zinc/72/55/82/157725582.db2.gz OPKFAJHJGOUZLH-AAEUAGOBSA-N 0 0 343.449 -0.120 10 0 EBAERN CCS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCn3ncnc32)CC1 ZINC000408418806 157725935 /nfs/dbraw/zinc/72/59/35/157725935.db2.gz CKXUIDVCFVFDQU-NSHDSACASA-N 0 0 342.425 -0.210 10 0 EBAERN CC[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CCN1C[C@@H](C)O ZINC000329218750 287134317 /nfs/dbraw/zinc/13/43/17/287134317.db2.gz RXZIDEIUDRGHAR-ZIAGYGMSSA-N 0 0 347.481 -0.980 10 0 EBAERN Cc1nn(C)c(C)c1CN1CCN(CCCS(N)(=O)=O)CC1 ZINC000171591959 419079594 /nfs/dbraw/zinc/07/95/94/419079594.db2.gz WAVWRGQCTMNNNP-UHFFFAOYSA-N 0 0 329.470 -0.167 10 0 EBAERN CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CN(C)CCO2)ncn1 ZINC000173418751 419136862 /nfs/dbraw/zinc/13/68/62/419136862.db2.gz OZDRNXMKUSXUBU-OLZOCXBDSA-N 0 0 334.424 -0.066 10 0 EBAERN Cc1nnc2n1C[C@@H](C(=O)N1CC(=O)N(CC(F)(F)F)C1)N(C)C2 ZINC000644444975 419162227 /nfs/dbraw/zinc/16/22/27/419162227.db2.gz WVCZGJOHGPKNLS-VIFPVBQESA-N 0 0 346.313 -0.409 10 0 EBAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)C1 ZINC000408051867 419175162 /nfs/dbraw/zinc/17/51/62/419175162.db2.gz JMAGYTMPSKGXGP-DVOMOZLQSA-N 0 0 327.425 -0.727 10 0 EBAERN CC(C)C(=O)N1CCCC[C@H]1C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000408057256 419179232 /nfs/dbraw/zinc/17/92/32/419179232.db2.gz RLVRLSACEMMSGW-LRDDRELGSA-N 0 0 325.409 -0.138 10 0 EBAERN COCC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000408235494 419244208 /nfs/dbraw/zinc/24/42/08/419244208.db2.gz DITKEMUTZIUWKY-NWDGAFQWSA-N 0 0 335.426 -0.869 10 0 EBAERN COCC(=O)N1CCC(NS(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CC1 ZINC000408236056 419244683 /nfs/dbraw/zinc/24/46/83/419244683.db2.gz MYPIPGCTLPRMQU-VXGBXAGGSA-N 0 0 349.453 -0.433 10 0 EBAERN CCN(CCOCCO)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC000368638507 419201029 /nfs/dbraw/zinc/20/10/29/419201029.db2.gz NXJCWFNQDRVPRR-DOMZBBRYSA-N 0 0 338.408 -0.203 10 0 EBAERN CC(C)[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCC(=O)[O-] ZINC000028631363 419572657 /nfs/dbraw/zinc/57/26/57/419572657.db2.gz NWEGIYMHTZXVBP-JSGCOSHPSA-N 0 0 337.376 -0.396 10 0 EBAERN O=C(CN1CC[C@H](N2CCOCC2)C1)NC(=O)NCC(F)(F)F ZINC000173922541 419765415 /nfs/dbraw/zinc/76/54/15/419765415.db2.gz DUJAJBOSLHKKED-JTQLQIEISA-N 0 0 338.330 -0.219 10 0 EBAERN C[C@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)C[C@H]1N1CCOCC1 ZINC000267558880 420515458 /nfs/dbraw/zinc/51/54/58/420515458.db2.gz UKHAYKCCXVPLBM-WDEREUQCSA-N 0 0 348.407 -0.471 10 0 EBAERN Cn1cc(S(=O)(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)cc1C(N)=O ZINC000284091609 272807683 /nfs/dbraw/zinc/80/76/83/272807683.db2.gz ARZZXZXOJGXKQY-CHWSQXEVSA-N 0 0 342.421 -0.782 10 0 EBAERN CC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C(C)C)CC1 ZINC000072260118 276997505 /nfs/dbraw/zinc/99/75/05/276997505.db2.gz TWFVUDCQCOZBSQ-UHFFFAOYSA-N 0 0 334.380 -0.327 10 0 EBAERN CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)N(C)C1 ZINC000408055883 277346819 /nfs/dbraw/zinc/34/68/19/277346819.db2.gz XRCCTDAWSALBFK-LOWDOPEQSA-N 0 0 333.454 -0.318 10 0 EBAERN CC(C)(C)n1nccc1NC(=O)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000093224001 278587101 /nfs/dbraw/zinc/58/71/01/278587101.db2.gz IJBONUNUKKQFAH-LBPRGKRZSA-N 0 0 334.424 -0.307 10 0 EBAERN CC[C@H](O)CN1CCN(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000408016513 288106989 /nfs/dbraw/zinc/10/69/89/288106989.db2.gz HUIXUMVMPCFMBY-STQMWFEESA-N 0 0 333.454 -0.386 10 0 EBAERN Cn1c(N)c(C(=O)CN2CCCC[C@@H]2c2cn[nH]c2)c(=O)n(C)c1=O ZINC000114201017 279308938 /nfs/dbraw/zinc/30/89/38/279308938.db2.gz RZMNHDOISSVWPZ-LLVKDONJSA-N 0 0 346.391 -0.201 10 0 EBAERN CC(C)[C@@H](C(=O)N1CCC[C@@](O)(C(N)=O)C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000375781774 279764385 /nfs/dbraw/zinc/76/43/85/279764385.db2.gz AJPBBWAZKPQJIL-WVZRYYJFSA-N 0 0 341.452 -0.041 10 0 EBAERN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cnn(C)c2)CC1 ZINC000110817168 289290100 /nfs/dbraw/zinc/29/01/00/289290100.db2.gz YXKMRMAVPNGGAP-CYBMUJFWSA-N 0 0 335.408 -0.575 10 0 EBAERN CN1C(=O)N[C@@H]2CN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC[C@@H]21 ZINC000408053345 289851658 /nfs/dbraw/zinc/85/16/58/289851658.db2.gz UAUZVJIPXCXRIK-VWYCJHECSA-N 0 0 346.453 -0.425 10 0 EBAERN CN1CCN(C(=O)CCNC(=O)N2C[C@H]3CCC[C@@H](C2)C3O)CC1 ZINC000172121075 290010652 /nfs/dbraw/zinc/01/06/52/290010652.db2.gz CSNJTIMTCBAGEY-MZBDJJRSSA-N 0 0 338.452 -0.047 10 0 EBAERN Cc1c([C@H]2[C@H](C(=O)N(C)Cc3nnnn3C)CC(=O)N2C)cnn1C ZINC000330342998 301012122 /nfs/dbraw/zinc/01/21/22/301012122.db2.gz BLWRGBBWMLSSMS-QMTHXVAHSA-N 0 0 346.395 -0.570 10 0 EBAERN O=C(Cn1ccc(=O)[nH]c1=O)N1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408055153 303660540 /nfs/dbraw/zinc/66/05/40/303660540.db2.gz WILKMZKIRYNUDT-JHJVBQTASA-N 0 0 337.376 -0.273 10 0 EBAERN CCn1cc(C2CCN(C(=O)C(=O)NCC(=O)N(C)C)CC2)cn1 ZINC000153908358 523350694 /nfs/dbraw/zinc/35/06/94/523350694.db2.gz JFJUVCWBQYTNQZ-UHFFFAOYSA-N 0 0 335.408 -0.187 10 0 EBAERN C[C@H](C(=O)N(C)CC(=O)N[C@@H]1CCc2ncnn2C1)n1cccn1 ZINC000112659392 545650163 /nfs/dbraw/zinc/65/01/63/545650163.db2.gz JIKLOMRWEYYLFW-VXGBXAGGSA-N 0 0 331.380 -0.375 10 0 EBAERN C[C@@H](C(=O)N(C)CC(=O)N[C@H]1CCc2ncnn2C1)n1cccn1 ZINC000112659395 545651629 /nfs/dbraw/zinc/65/16/29/545651629.db2.gz JIKLOMRWEYYLFW-RYUDHWBXSA-N 0 0 331.380 -0.375 10 0 EBAERN C[C@@H]1CN(C(=O)Nc2ccn(CCN3CCOCC3)n2)C[C@H]1CO ZINC000330127999 545779921 /nfs/dbraw/zinc/77/99/21/545779921.db2.gz NFYBNECLWKZELC-KGLIPLIRSA-N 0 0 337.424 0.307 10 0 EBAERN C[C@H](NC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)[C@H]1CCCO1 ZINC000333691246 545868804 /nfs/dbraw/zinc/86/88/04/545868804.db2.gz CMPQBXWTCDUHTM-WCQYABFASA-N 0 0 346.453 -0.817 10 0 EBAERN CCS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262156372 545969927 /nfs/dbraw/zinc/96/99/27/545969927.db2.gz IAOOFCRZKASWMG-GXFFZTMASA-N 0 0 327.406 -0.242 10 0 EBAERN CC[C@H]1C[C@@H](C(=O)N2CCN(c3nc(N)ns3)CC2)CC(=O)N1 ZINC000408205124 546039268 /nfs/dbraw/zinc/03/92/68/546039268.db2.gz XJODORCWHOBBBO-ZJUUUORDSA-N 0 0 338.437 0.074 10 0 EBAERN OC[C@@H]1O[C@H](n2cnc3c2ncnc3NC2CCCC2)[C@H](O)[C@@H]1O ZINC000000057268 560177062 /nfs/dbraw/zinc/17/70/62/560177062.db2.gz SQMWSBKSHWARHU-NFOTXUCKSA-N 0 0 335.364 -0.208 10 0 in-vitro EBAERN Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)CN2C(=O)CN(C)C2=O)cn1 ZINC000888094772 582605512 /nfs/dbraw/zinc/60/55/12/582605512.db2.gz CKJMSOVXNMCVOB-NWDGAFQWSA-N 0 0 335.364 -0.270 10 0 EBAERN O=C(CC[C@@H]1CC[C@@H](C2OCCO2)O1)N1CC(N2CCNC2=O)C1 ZINC000897757352 582709247 /nfs/dbraw/zinc/70/92/47/582709247.db2.gz XOCJWRHRCLVNFL-STQMWFEESA-N 0 0 339.392 -0.077 10 0 EBAERN Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3OCCN(C)C3=O)C2)nn1 ZINC000900756679 582780493 /nfs/dbraw/zinc/78/04/93/582780493.db2.gz SESWIONVDQFYIZ-JSGCOSHPSA-N 0 0 333.392 -0.273 10 0 EBAERN Cn1c(=O)cc(CNC(=O)CNC(=O)/C=C\c2ccco2)n(C)c1=O ZINC000056687913 649959091 /nfs/dbraw/zinc/95/90/91/649959091.db2.gz IUXGVVHKYWBDJU-WAYWQWQTSA-N 0 0 346.343 -0.877 10 0 EBAERN CCS(=O)(=O)N1CCN(C(=O)Cc2ncn(C)c(=O)c2C)CC1 ZINC000222941720 649983560 /nfs/dbraw/zinc/98/35/60/649983560.db2.gz XPVCIMKQLLOWKM-UHFFFAOYSA-N 0 0 342.421 -0.875 10 0 EBAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC000709693369 650036198 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/nfs/dbraw/zinc/59/90/72/380599072.db2.gz RXVKORYWPYFHKG-NSHDSACASA-N 0 0 339.421 -0.056 10 0 EBAERN CO[C@H]1C[C@H](C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)N(C(C)=O)C1 ZINC000328876351 380814054 /nfs/dbraw/zinc/81/40/54/380814054.db2.gz KDDSTJJRZDOYRR-LJISPDSOSA-N 0 0 325.409 -0.446 10 0 EBAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCN(Cc3cccnc3)CC2)C1 ZINC000091076868 380928513 /nfs/dbraw/zinc/92/85/13/380928513.db2.gz FICOAZLFMQIXFS-INIZCTEOSA-N 0 0 345.447 -0.077 10 0 EBAERN CS(=O)(=O)N1CCC(C(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000112655594 381256072 /nfs/dbraw/zinc/25/60/72/381256072.db2.gz FAANWAFEGSVIOY-NSHDSACASA-N 0 0 327.410 -0.619 10 0 EBAERN Cc1nc2nc(N)nn2c(C)c1CC(=O)NC[C@@H](C)N1CCOCC1 ZINC000029959609 381257019 /nfs/dbraw/zinc/25/70/19/381257019.db2.gz OMHQIRDBCMCJHL-SNVBAGLBSA-N 0 0 347.423 -0.297 10 0 EBAERN CCc1nc2n(n1)C[C@@H](NC(=O)CN1CCCS1(=O)=O)CC2 ZINC000114865547 381259429 /nfs/dbraw/zinc/25/94/29/381259429.db2.gz FRYQSIZVYMWKMT-JTQLQIEISA-N 0 0 327.410 -0.693 10 0 EBAERN CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)O1 ZINC000332878732 381269859 /nfs/dbraw/zinc/26/98/59/381269859.db2.gz JCOIZEVUBUUHBT-FDYHWXHSSA-N 0 0 338.408 -0.458 10 0 EBAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000348788503 381407335 /nfs/dbraw/zinc/40/73/35/381407335.db2.gz UYZFRKBQRBPSAI-QCODTGAPSA-N 0 0 340.420 -0.253 10 0 EBAERN C[C@H]1CCCN(S(=O)(=O)N2CCO[C@H](CN(C)CC(N)=O)C2)C1 ZINC000367135974 381495215 /nfs/dbraw/zinc/49/52/15/381495215.db2.gz RZYFFXODVFGEGY-QWHCGFSZSA-N 0 0 348.469 -0.919 10 0 EBAERN CN1C(=O)N[C@]2(CCN([C@H]3CCN(CC(F)(F)F)C3=O)C2)C1=O ZINC000329209394 381589023 /nfs/dbraw/zinc/58/90/23/381589023.db2.gz ZBANFUBWVBIHRN-UFBFGSQYSA-N 0 0 334.298 -0.020 10 0 EBAERN Cn1cc(CN2CCCN(CC(=O)NC(=O)NC3CC3)CC2)cn1 ZINC000105868944 381790601 /nfs/dbraw/zinc/79/06/01/381790601.db2.gz ZPJBIVZTUUOFJI-UHFFFAOYSA-N 0 0 334.424 -0.084 10 0 EBAERN CCOC(=O)c1ccc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 ZINC000238791392 382205939 /nfs/dbraw/zinc/20/59/39/382205939.db2.gz FREAPVFREJJKCA-MQLXINIDSA-N 0 0 327.333 -0.925 10 0 EBAERN COCCN1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)C[C@H]1C ZINC000329414298 285045726 /nfs/dbraw/zinc/04/57/26/285045726.db2.gz FAEJDHMDYGYPGQ-MCIONIFRSA-N 0 0 327.425 -0.199 10 0 EBAERN Cn1cc(C(=O)N2CC3(C2)OCC[C@@H]3CCNS(C)(=O)=O)cn1 ZINC000248158970 257661722 /nfs/dbraw/zinc/66/17/22/257661722.db2.gz WRFWGTWGABEIAZ-LBPRGKRZSA-N 0 0 342.421 -0.410 10 0 EBAERN C[C@H](O)CNS(=O)(=O)C[C@H]1CCCN(C(=O)C2CCOCC2)C1 ZINC000521396697 257947260 /nfs/dbraw/zinc/94/72/60/257947260.db2.gz PTLDKYDRNJKVRY-STQMWFEESA-N 0 0 348.465 -0.048 10 0 EBAERN Cn1cc(N2CC[C@H](N3CCO[C@H](Cn4cncn4)C3)C2=O)cn1 ZINC000328667815 155186663 /nfs/dbraw/zinc/18/66/63/155186663.db2.gz LBHARFNDIOYDMW-KBPBESRZSA-N 0 0 331.380 -0.482 10 0 EBAERN Cn1nnnc1SCCC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000328928530 155195749 /nfs/dbraw/zinc/19/57/49/155195749.db2.gz YAJJTCNEMCDQNG-MNOVXSKESA-N 0 0 326.426 -0.376 10 0 EBAERN CN1CCO[C@@H]2CCN(C(=O)CCC(=O)N3CCOCC3)C[C@@H]21 ZINC000328905826 155193397 /nfs/dbraw/zinc/19/33/97/155193397.db2.gz KHAZJRYJAWFYQJ-UONOGXRCSA-N 0 0 325.409 -0.443 10 0 EBAERN CN(C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000328889534 155193526 /nfs/dbraw/zinc/19/35/26/155193526.db2.gz QXPBNPFJFWFSIQ-JHJVBQTASA-N 0 0 331.438 -0.370 10 0 EBAERN C[C@@H]1CN(C2CCN(S(=O)(=O)N3CCOCC3)CC2)CCO1 ZINC000328888381 155193529 /nfs/dbraw/zinc/19/35/29/155193529.db2.gz PNSINXSAQZCKAQ-CYBMUJFWSA-N 0 0 333.454 -0.252 10 0 EBAERN O=C([C@@H]1C[C@@H](F)CN1C[C@@H](O)CN1CCCC1=O)N1CCOCC1 ZINC000328944363 155198404 /nfs/dbraw/zinc/19/84/04/155198404.db2.gz FZJRDXAAAJVNTO-RDBSUJKOSA-N 0 0 343.399 -0.759 10 0 EBAERN CN1CCO[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@H]21 ZINC000328952548 155198618 /nfs/dbraw/zinc/19/86/18/155198618.db2.gz LZRQBOWZGHOUQM-MRVWCRGKSA-N 0 0 333.392 -0.306 10 0 EBAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C[C@@H](O)CN2CCCC2=O)C1 ZINC000328921540 155196847 /nfs/dbraw/zinc/19/68/47/155196847.db2.gz CFFDXIKSEPHGCB-KKUMJFAQSA-N 0 0 339.436 -0.319 10 0 EBAERN Cc1cc(C(=O)Nc2cnn(CC(=O)N3CCN(C)CC3)c2)n[nH]1 ZINC000329101193 155206339 /nfs/dbraw/zinc/20/63/39/155206339.db2.gz MWGQRXPDRLJTED-UHFFFAOYSA-N 0 0 331.380 -0.059 10 0 EBAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCCN(c3cccnn3)CC2)C1 ZINC000329142116 155208389 /nfs/dbraw/zinc/20/83/89/155208389.db2.gz UTFWVUHZACBBGY-KRWDZBQOSA-N 0 0 347.419 -0.111 10 0 EBAERN O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000329176115 155209750 /nfs/dbraw/zinc/20/97/50/155209750.db2.gz MJUVDBZJUPBHQO-RYUDHWBXSA-N 0 0 346.474 -0.013 10 0 EBAERN C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C[C@@H](C)O1 ZINC000329208832 155213579 /nfs/dbraw/zinc/21/35/79/155213579.db2.gz BVWLBAADJYDGNI-KFWWJZLASA-N 0 0 339.436 -0.197 10 0 EBAERN NS(=O)(=O)CCN1CCN(C(=O)C[C@H]2CCCCNC2=O)CC1 ZINC000329304217 155217234 /nfs/dbraw/zinc/21/72/34/155217234.db2.gz XUBSTKPRBBLQHV-GFCCVEGCSA-N 0 0 346.453 -0.434 10 0 EBAERN O=C(C1CCCC1)N1CC(S(=O)(=O)N2CC(n3ccnn3)C2)C1 ZINC000329309122 155217244 /nfs/dbraw/zinc/21/72/44/155217244.db2.gz AGRTXSBYFOMLMF-UHFFFAOYSA-N 0 0 339.421 -0.134 10 0 EBAERN NS(=O)(=O)CCN1CCN(C(=O)C[C@@H]2CCCCNC2=O)CC1 ZINC000329304218 155218070 /nfs/dbraw/zinc/21/80/70/155218070.db2.gz XUBSTKPRBBLQHV-LBPRGKRZSA-N 0 0 346.453 -0.434 10 0 EBAERN CC[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C[C@H]1O ZINC000329574847 155231910 /nfs/dbraw/zinc/23/19/10/155231910.db2.gz VMBXKCWAZJCMMG-DGAVXFQQSA-N 0 0 326.393 -0.378 10 0 EBAERN CN1CCN(C(=O)[C@@H]2CCCN2C(=O)COC[C@@H]2CCOC2)CC1 ZINC000329609446 155233736 /nfs/dbraw/zinc/23/37/36/155233736.db2.gz BUDXQCACBKHUDA-CABCVRRESA-N 0 0 339.436 -0.196 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000329695186 155235615 /nfs/dbraw/zinc/23/56/15/155235615.db2.gz XIIKCGHSXKSWHF-UONOGXRCSA-N 0 0 345.465 -0.266 10 0 EBAERN Cn1nnnc1SCCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000329751703 155237504 /nfs/dbraw/zinc/23/75/04/155237504.db2.gz VVLGQRDOQFUGMR-LLVKDONJSA-N 0 0 326.426 -0.375 10 0 EBAERN O=C([C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]2CO)O1)N1CCC[C@@H]1CO ZINC000330089062 155252051 /nfs/dbraw/zinc/25/20/51/155252051.db2.gz OJOPYWSQIZHKQE-MQYQWHSLSA-N 0 0 326.393 -0.499 10 0 EBAERN Cn1nccc1N1CCC[C@@H](NS(=O)(=O)c2cnnn2C)C1 ZINC000330111794 155254399 /nfs/dbraw/zinc/25/43/99/155254399.db2.gz RJSXIZKDUIOAHM-SNVBAGLBSA-N 0 0 325.398 -0.504 10 0 EBAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000330163042 155256271 /nfs/dbraw/zinc/25/62/71/155256271.db2.gz AQZUOLOAGYSRFF-CHWSQXEVSA-N 0 0 331.438 -0.072 10 0 EBAERN CN(CC(=O)N1CCC[C@@H]1Cn1ccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000330241152 155260759 /nfs/dbraw/zinc/26/07/59/155260759.db2.gz IWFNZBPABFPDHH-ZIAGYGMSSA-N 0 0 340.449 -0.007 10 0 EBAERN Cc1nc(C[C@H]2CCCN(C(=O)Cn3ccc(=O)n(C)c3=O)C2)no1 ZINC000171241189 154094410 /nfs/dbraw/zinc/09/44/10/154094410.db2.gz ACGGIERTWZDQKL-GFCCVEGCSA-N 0 0 347.375 -0.280 10 0 EBAERN C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN2CCC[C@@H]2C1 ZINC000171643080 154095334 /nfs/dbraw/zinc/09/53/34/154095334.db2.gz LAGNLRHZPIFJBC-MGPQQGTHSA-N 0 0 329.466 -0.200 10 0 EBAERN CCS(=O)(=O)NCCNC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000172121733 154096379 /nfs/dbraw/zinc/09/63/79/154096379.db2.gz QTQUOSTUMPKIHX-LLVKDONJSA-N 0 0 329.426 -0.142 10 0 EBAERN C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN2CCCC[C@@H]2C1 ZINC000172801126 154099806 /nfs/dbraw/zinc/09/98/06/154099806.db2.gz BVNVVAWMFIUSGZ-NWDGAFQWSA-N 0 0 349.435 -0.593 10 0 EBAERN CC(C)(C)c1ncc(NC(=O)C(=O)NC[C@H]2CN3CCN2CC3)cn1 ZINC000178964236 154122348 /nfs/dbraw/zinc/12/23/48/154122348.db2.gz LPDJARZZZGMUCR-ZDUSSCGKSA-N 0 0 346.435 -0.171 10 0 EBAERN Cn1cnn(CC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)c1=O ZINC000179483733 154125041 /nfs/dbraw/zinc/12/50/41/154125041.db2.gz FCIZUPQFACDDPH-HNNXBMFYSA-N 0 0 345.403 -0.540 10 0 EBAERN Cc1nn(C)cc1NC(=O)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000180255685 154127737 /nfs/dbraw/zinc/12/77/37/154127737.db2.gz OEOKGUKHPYXURX-SMDDNHRTSA-N 0 0 335.408 -0.154 10 0 EBAERN Cc1cnn(CCNC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c1 ZINC000183594627 154134315 /nfs/dbraw/zinc/13/43/15/154134315.db2.gz HZDJZEUZYNJAEV-LBPRGKRZSA-N 0 0 329.426 -0.133 10 0 EBAERN Cc1nccc(N2CCN(C(=O)NC[C@@H]3CN(C)CCO3)CC2)n1 ZINC000184983956 154138460 /nfs/dbraw/zinc/13/84/60/154138460.db2.gz SPRTWSFEDFEKGC-CQSZACIVSA-N 0 0 334.424 -0.053 10 0 EBAERN Cc1nn(C)cc1NC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000186691294 154143690 /nfs/dbraw/zinc/14/36/90/154143690.db2.gz KQQJTRWEJJRPQH-CYBMUJFWSA-N 0 0 335.408 -0.010 10 0 EBAERN Cc1cc(N2CCN(CC(=O)N3CCC[C@H](C(N)=O)C3)CC2)n[nH]1 ZINC000187242208 154146209 /nfs/dbraw/zinc/14/62/09/154146209.db2.gz MECASXPRWSTRCX-ZDUSSCGKSA-N 0 0 334.424 -0.436 10 0 EBAERN CNS(=O)(=O)CCNC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000187861344 154149268 /nfs/dbraw/zinc/14/92/68/154149268.db2.gz KPDRQVFVVYYOSY-GFCCVEGCSA-N 0 0 329.426 -0.085 10 0 EBAERN Cc1nc2c(cnn2C)c(N2CCN(Cc3nnn(C)n3)CC2)n1 ZINC000193360174 154160381 /nfs/dbraw/zinc/16/03/81/154160381.db2.gz LCZWKOONHTYKPN-UHFFFAOYSA-N 0 0 328.384 -0.483 10 0 EBAERN CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1 ZINC000194654976 154162568 /nfs/dbraw/zinc/16/25/68/154162568.db2.gz QDQMVAQZFQQGBF-LLVKDONJSA-N 0 0 345.403 -0.154 10 0 EBAERN C[C@@H]1CN(C(=O)NC[C@H]2CN(C)CCO2)C[C@H]1N1CCOCC1 ZINC000246121639 154178963 /nfs/dbraw/zinc/17/89/63/154178963.db2.gz LLCGFAJKLLKDLX-QLFBSQMISA-N 0 0 326.441 -0.321 10 0 EBAERN Cn1c(N)c(C(=O)CN2CC[C@@H]3OCCC[C@H]3C2)c(=O)n(C)c1=O ZINC000246612919 154183863 /nfs/dbraw/zinc/18/38/63/154183863.db2.gz JNQMFYMQLUFKMA-JQWIXIFHSA-N 0 0 336.392 -0.650 10 0 EBAERN COCCN1CCN([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C[C@H]1C ZINC000247171505 154186820 /nfs/dbraw/zinc/18/68/20/154186820.db2.gz MXJCCTCUOVPHBJ-ZIAGYGMSSA-N 0 0 340.468 -0.236 10 0 EBAERN COc1cccc(CC(=O)N2CCN(C(=O)[C@H]3COCCN3)CC2)c1 ZINC000262620554 154240607 /nfs/dbraw/zinc/24/06/07/154240607.db2.gz NRBWYBRAWKDGQI-MRXNPFEDSA-N 0 0 347.415 -0.103 10 0 EBAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Cn2c(C)cc(O)cc2=O)C1 ZINC000262724106 154244706 /nfs/dbraw/zinc/24/47/06/154244706.db2.gz RGKUJAYCDHPRGW-UHFFFAOYSA-N 0 0 337.376 -0.084 10 0 EBAERN COC(=O)[C@@H]1C[C@@H](O)CN1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000264726435 154290907 /nfs/dbraw/zinc/29/09/07/154290907.db2.gz PWWLHXKGDVFLRX-SUNKGSAMSA-N 0 0 348.355 -0.748 10 0 EBAERN Cn1cc([C@H]2[C@H](C(=O)N[C@@H]3CC(=O)N(C)C3)CCC(=O)N2C)cn1 ZINC000265288144 154310415 /nfs/dbraw/zinc/31/04/15/154310415.db2.gz ZGOBQTHTCXMDSM-JMSVASOKSA-N 0 0 333.392 -0.324 10 0 EBAERN CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CNC(=O)C1)CC2 ZINC000265335922 154311851 /nfs/dbraw/zinc/31/18/51/154311851.db2.gz XCFQXLJYGVMQNE-NSHDSACASA-N 0 0 337.401 -0.038 10 0 EBAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000268686819 154423605 /nfs/dbraw/zinc/42/36/05/154423605.db2.gz QWGXKNAVENKTKO-MFKMUULPSA-N 0 0 330.410 -0.568 10 0 EBAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000282089566 154792753 /nfs/dbraw/zinc/79/27/53/154792753.db2.gz DNVUXBOKADOLFZ-JQWIXIFHSA-N 0 0 334.380 -0.555 10 0 EBAERN O=C([C@H]1CC[C@H](C(=O)N2CCC[C@H](O)C2)O1)N1CCC[C@H](O)C1 ZINC000333268322 155502020 /nfs/dbraw/zinc/50/20/20/155502020.db2.gz CBCYNYMUCFZCDF-IGQOVBAYSA-N 0 0 326.393 -0.499 10 0 EBAERN COC[C@H]1C[C@@H](OC)CN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000344869607 156275741 /nfs/dbraw/zinc/27/57/41/156275741.db2.gz INRWRXQWOGTVQA-CHWSQXEVSA-N 0 0 334.438 -0.080 10 0 EBAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CSC[C@@H]1C(=O)N(C)C(C)C ZINC000357585623 157159930 /nfs/dbraw/zinc/15/99/30/157159930.db2.gz QXTFYMOGORBDGV-JHJVBQTASA-N 0 0 343.449 -0.264 10 0 EBAERN CC(=O)N1CC(C(=O)N2CCO[C@@H](c3ccnc(N(C)C)n3)C2)C1 ZINC000368989670 157571680 /nfs/dbraw/zinc/57/16/80/157571680.db2.gz JONFDCOVPQZHEV-CQSZACIVSA-N 0 0 333.392 -0.079 10 0 EBAERN CNC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H](OC)CN2S(C)(=O)=O)C1 ZINC000369265900 157576489 /nfs/dbraw/zinc/57/64/89/157576489.db2.gz MFEDKMRRFKSIRW-GRYCIOLGSA-N 0 0 347.437 -0.980 10 0 EBAERN CN1CCO[C@H]2CCN(S(=O)(=O)CCCN3CCOCC3)C[C@H]21 ZINC000408015340 157704431 /nfs/dbraw/zinc/70/44/31/157704431.db2.gz BMWSTGONWHJQDN-CABCVRRESA-N 0 0 347.481 -0.557 10 0 EBAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCN(C(=O)C(C)C)CC2)C1 ZINC000408040534 157706754 /nfs/dbraw/zinc/70/67/54/157706754.db2.gz BUMYXNMHGJSCFD-MRXNPFEDSA-N 0 0 325.409 -0.313 10 0 EBAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)CN(C)S(C)(=O)=O)C1 ZINC000408039125 157706866 /nfs/dbraw/zinc/70/68/66/157706866.db2.gz UBJHTQVQBIXUHT-RYUDHWBXSA-N 0 0 347.437 -0.884 10 0 EBAERN Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)CS(=O)(=O)N(C)C)n1 ZINC000408055628 157708280 /nfs/dbraw/zinc/70/82/80/157708280.db2.gz WRTHWKGQNVXNEY-KCJUWKMLSA-N 0 0 332.382 -0.442 10 0 EBAERN Cn1cc(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)ccc1=O ZINC000408055404 157708406 /nfs/dbraw/zinc/70/84/06/157708406.db2.gz XUOSKWJAMRLUTO-OLZOCXBDSA-N 0 0 337.351 -0.203 10 0 EBAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N1CCO[C@H](CO)C1 ZINC000408363366 157722762 /nfs/dbraw/zinc/72/27/62/157722762.db2.gz WKDANRATACTDHG-KBPBESRZSA-N 0 0 334.438 -0.200 10 0 EBAERN C[C@@H](O)CN1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC1 ZINC000328993613 287092799 /nfs/dbraw/zinc/09/27/99/287092799.db2.gz JCLPNTQVNKRDQY-XJKCOSOUSA-N 0 0 349.435 -0.536 10 0 EBAERN CC[C@@H]1OCCC[C@@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC ZINC000408380005 287326896 /nfs/dbraw/zinc/32/68/96/287326896.db2.gz RZXVLGLQTVLIIC-TUAOUCFPSA-N 0 0 333.406 -0.010 10 0 EBAERN NC(=O)[C@@H]1CCCN(C(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)C1 ZINC000163025071 225909824 /nfs/dbraw/zinc/90/98/24/225909824.db2.gz NZDKJEIGODJVDM-CABCVRRESA-N 0 0 344.415 -0.378 10 0 EBAERN [NH3+]CCC(=O)N[C@@H](CSCc1ccccc1)C(=O)NCC(=O)[O-] ZINC000169344126 226547561 /nfs/dbraw/zinc/54/75/61/226547561.db2.gz CNVSDFADWVWBDU-LBPRGKRZSA-N 0 0 339.417 -0.046 10 0 EBAERN CC[C@H](O)CN1CCN(C(=O)CNC(=O)NCc2ccco2)CC1 ZINC000106396797 419046958 /nfs/dbraw/zinc/04/69/58/419046958.db2.gz CMHLZMUAGGAJHQ-ZDUSSCGKSA-N 0 0 338.408 -0.006 10 0 EBAERN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NS(=O)(=O)N1CCOCC1 ZINC000408242495 419057168 /nfs/dbraw/zinc/05/71/68/419057168.db2.gz VEXHJUHSRSKGJG-QWRGUYRKSA-N 0 0 341.455 -0.987 10 0 EBAERN CNS(=O)(=O)NC1CCN(C(=O)N2CCC(OC)CC2)CC1 ZINC000408010334 419134053 /nfs/dbraw/zinc/13/40/53/419134053.db2.gz UUWFNIGEXWOQDM-UHFFFAOYSA-N 0 0 334.442 -0.265 10 0 EBAERN CC(C)CNC(=O)NC(=O)[C@H](C)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408040901 419137691 /nfs/dbraw/zinc/13/76/91/419137691.db2.gz DQWGDKLVJXNKOX-TUAOUCFPSA-N 0 0 325.413 -0.045 10 0 EBAERN CC(C)C(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000408057258 419178746 /nfs/dbraw/zinc/17/87/46/419178746.db2.gz RLVRLSACEMMSGW-WBMJQRKESA-N 0 0 325.409 -0.138 10 0 EBAERN C[C@H]1CC(C(=O)N2CCN(CCS(N)(=O)=O)CC2)C[C@H](C)O1 ZINC000408079599 419190423 /nfs/dbraw/zinc/19/04/23/419190423.db2.gz ICAPYRAHWOWDDB-RYUDHWBXSA-N 0 0 333.454 -0.377 10 0 EBAERN C[C@H](C(=O)N[C@H]1CCCC[C@H]1NS(C)(=O)=O)N1CCN(C)CC1 ZINC000408241602 419244544 /nfs/dbraw/zinc/24/45/44/419244544.db2.gz KLJARDVERDJSIM-HZSPNIEDSA-N 0 0 346.497 -0.401 10 0 EBAERN CN1CC[C@H](C(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1=O ZINC000408241266 419244763 /nfs/dbraw/zinc/24/47/63/419244763.db2.gz INANHCLKCTWXHH-SRVKXCTJSA-N 0 0 331.438 -0.169 10 0 EBAERN COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CC(F)(F)F ZINC000408352023 419249567 /nfs/dbraw/zinc/24/95/67/419249567.db2.gz LJGSQRZPLCZECF-ZCFIWIBFSA-N 0 0 339.313 -0.850 10 0 EBAERN Cc1n[nH]cc1C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1=O ZINC000378580102 419760141 /nfs/dbraw/zinc/76/01/41/419760141.db2.gz PYXUMHOVNDUGAI-AWEZNQCLSA-N 0 0 335.408 -0.229 10 0 EBAERN CC(=O)O[C@H]1O[C@@H]2CO[C@H](C)O[C@H]2[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000096329046 262508544 /nfs/dbraw/zinc/50/85/44/262508544.db2.gz FRXAYUBXOIXSRC-OKDXSUHISA-N 0 0 332.305 -0.101 10 0 EBAERN C[C@@H]1COC[C@H](C)N1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000130383881 264584140 /nfs/dbraw/zinc/58/41/40/264584140.db2.gz SCOYQPAMYFETRF-AOOOYVTPSA-N 0 0 332.360 -0.118 10 0 EBAERN O=C(CN1CCN(C(=O)[C@H]2CNC(=O)C2)CC1)NCc1ccccc1 ZINC000194862777 264601778 /nfs/dbraw/zinc/60/17/78/264601778.db2.gz ZUEIKLLWAZEJFU-OAHLLOKOSA-N 0 0 344.415 -0.417 10 0 EBAERN CC(=O)NC1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)C1 ZINC000408277824 277026221 /nfs/dbraw/zinc/02/62/21/277026221.db2.gz BVCOWBVPBSBYIL-HIFRSBDPSA-N 0 0 333.392 -0.324 10 0 EBAERN CC(=O)N1CCC[C@](O)(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)C1 ZINC000329162726 278031822 /nfs/dbraw/zinc/03/18/22/278031822.db2.gz FZMOQLMPEQEBIZ-SQWLQELKSA-N 0 0 325.409 -0.709 10 0 EBAERN CC(=O)N[C@@H]1CCCN(C(=O)CN2CC[S@@](=O)CC[C@@H]2C)C1 ZINC000408392894 278142514 /nfs/dbraw/zinc/14/25/14/278142514.db2.gz IJWVNGPSSBVCNA-HXZRUIPCSA-N 0 0 329.466 -0.044 10 0 EBAERN Cn1cc(N2CCN(C(=O)N[C@H]3CCc4ncnn4C3)CC2=O)cn1 ZINC000177536811 279340184 /nfs/dbraw/zinc/34/01/84/279340184.db2.gz CFUBTIKHSXPTEV-NSHDSACASA-N 0 0 344.379 -0.615 10 0 EBAERN Cc1cc(C(=O)N2CCN(C)C[C@@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000408197733 280329207 /nfs/dbraw/zinc/32/92/07/280329207.db2.gz MKALSGXCCIXHBF-NSHDSACASA-N 0 0 345.403 -0.283 10 0 EBAERN C[C@@H]1CN(S(=O)(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)C[C@H](C)O1 ZINC000328883324 288234505 /nfs/dbraw/zinc/23/45/05/288234505.db2.gz NGKIIDWDYPNIKR-CRWXNKLISA-N 0 0 333.454 -0.255 10 0 EBAERN CC1(C)NC(=O)CC[C@@H]1NC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000407987180 281382242 /nfs/dbraw/zinc/38/22/42/281382242.db2.gz WSWZDXVTGRUJTB-MNOVXSKESA-N 0 0 346.453 -0.233 10 0 EBAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)N1CCc2ccccc2C1 ZINC000408117422 295121066 /nfs/dbraw/zinc/12/10/66/295121066.db2.gz BPVXXFQPRWNPOM-ZDUSSCGKSA-N 0 0 325.390 -0.524 10 0 EBAERN Cc1cc(N2CC[C@@H](N3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)C2=O)n(C)n1 ZINC000329160593 301341091 /nfs/dbraw/zinc/34/10/91/301341091.db2.gz FGATUUJOMQSAQS-YNEHKIRRSA-N 0 0 338.433 -0.047 10 0 EBAERN Cc1cn2c(ncc(C(=O)N3CCO[C@H](C)[C@H]3C(N)=O)c2=O)s1 ZINC000408065043 302325940 /nfs/dbraw/zinc/32/59/40/302325940.db2.gz YXJNBPQANPADSL-SCZZXKLOSA-N 0 0 336.373 -0.221 10 0 EBAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)CN3CSCC3=O)CCO2)n1 ZINC000329779569 302580926 /nfs/dbraw/zinc/58/09/26/302580926.db2.gz RBWGFLNKQABONK-LBPRGKRZSA-N 0 0 339.421 -0.345 10 0 EBAERN Cc1oc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)cc1S(N)(=O)=O ZINC000352053785 302868546 /nfs/dbraw/zinc/86/85/46/302868546.db2.gz WFYCQGNQDCKKNM-KOLCDFICSA-N 0 0 329.378 -0.610 10 0 EBAERN O=c1ccn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(C2SCCCS2)n1 ZINC000005641746 304818821 /nfs/dbraw/zinc/81/88/21/304818821.db2.gz AFDQPGWEHYBTAF-NCIFOGHDSA-N 0 0 346.430 -0.277 10 0 EBAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)CC2 ZINC000114871225 522524106 /nfs/dbraw/zinc/52/41/06/522524106.db2.gz DSRVNXONKVWNSX-JTQLQIEISA-N 0 0 346.395 -0.735 10 0 EBAERN CCc1nc2n(n1)C[C@H](NC(=O)CN1CCCS1(=O)=O)CC2 ZINC000114865545 522528325 /nfs/dbraw/zinc/52/83/25/522528325.db2.gz FRYQSIZVYMWKMT-SNVBAGLBSA-N 0 0 327.410 -0.693 10 0 EBAERN O=C1CO[C@H]2CCN(S(=O)(=O)NCc3ccccc3)C[C@@H]2N1 ZINC000377889299 527014164 /nfs/dbraw/zinc/01/41/64/527014164.db2.gz NYRWLRRKIBFSOA-STQMWFEESA-N 0 0 325.390 -0.390 10 0 EBAERN Cc1c([C@@H]2[C@@H](C(=O)N[C@@H]3CCCN(C)C3=O)CC(=O)N2C)cnn1C ZINC000332998989 545854320 /nfs/dbraw/zinc/85/43/20/545854320.db2.gz QTKRQNJNKOMIHM-LNSITVRQSA-N 0 0 347.419 -0.015 10 0 EBAERN CS(=O)(=O)N1CCN(CC(=O)N2C[C@@H]3CC[C@H](O)C[C@H]3C2)CC1 ZINC000333250452 545858662 /nfs/dbraw/zinc/85/86/62/545858662.db2.gz GRSJEERPHUDTFR-IHRRRGAJSA-N 0 0 345.465 -0.817 10 0 EBAERN Cc1nc2n(c1C)CCN(c1nc3c([nH]1)n(C)c(=O)n(C)c3=O)C2 ZINC000892241119 582571956 /nfs/dbraw/zinc/57/19/56/582571956.db2.gz SSGCFFQAMGBETH-UHFFFAOYSA-N 0 0 329.364 -0.206 10 0 EBAERN Cc1cn(C(C)(C)C(=O)N2CCO[C@@H](CN(C)CC(N)=O)C2)cn1 ZINC000897480879 582691312 /nfs/dbraw/zinc/69/13/12/582691312.db2.gz KQTMDMGUCJQOOA-ZDUSSCGKSA-N 0 0 337.424 -0.429 10 0 EBAERN Cc1cn(C(C)(C)C(=O)N2CCO[C@H](CN(C)CC(N)=O)C2)cn1 ZINC000897480878 582691379 /nfs/dbraw/zinc/69/13/79/582691379.db2.gz KQTMDMGUCJQOOA-CYBMUJFWSA-N 0 0 337.424 -0.429 10 0 EBAERN Cc1cnn(C[C@H]2CN(Cn3nnc4c(cnn4C)c3=O)CCO2)c1 ZINC000132601282 584606396 /nfs/dbraw/zinc/60/63/96/584606396.db2.gz HBECPWWLYHMBGN-GFCCVEGCSA-N 0 0 344.379 -0.612 10 0 EBAERN CCOc1cc(C)nc(N2CCN(Cn3ncn(C)c3=O)CC2)n1 ZINC000133040299 584607662 /nfs/dbraw/zinc/60/76/62/584607662.db2.gz LLMLCMCKHMXOBW-UHFFFAOYSA-N 0 0 333.396 -0.141 10 0 EBAERN CC(C)OCCS(=O)(=O)N1CCC[C@@](O)(Cc2nncn2C)C1 ZINC000886027324 584655524 /nfs/dbraw/zinc/65/55/24/584655524.db2.gz RXMRIUQLTLTJSA-CQSZACIVSA-N 0 0 346.453 -0.061 10 0 EBAERN CC(=O)N1C[C@H](NC(=O)Cn2ncn(C)c2=O)CC[C@@H]1C(F)(F)F ZINC000886039501 584655551 /nfs/dbraw/zinc/65/55/51/584655551.db2.gz LNEGKTULFRZULO-NXEZZACHSA-N 0 0 349.313 -0.360 10 0 EBAERN CCc1nnc(Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)n1C ZINC000194656332 649982902 /nfs/dbraw/zinc/98/29/02/649982902.db2.gz WDEUTOODPQGSAH-UHFFFAOYSA-N 0 0 337.771 -0.174 10 0 EBAERN Cn1c2[nH]c(CCC(=O)Nc3nccs3)nc2c(=O)n(C)c1=O ZINC000222724432 649983297 /nfs/dbraw/zinc/98/32/97/649983297.db2.gz WRMNETLVAMAEEU-UHFFFAOYSA-N 0 0 334.361 -0.012 10 0 EBAERN NC(=O)CNC(=O)C[C@@H]1C(=O)NCCN1C/C=C\c1ccccc1 ZINC000229628589 649983525 /nfs/dbraw/zinc/98/35/25/649983525.db2.gz RMVZWTCFISVSJL-HJHHMULASA-N 0 0 330.388 -0.508 10 0 EBAERN CC(C)c1nnc([C@H]2COCCN2C(=O)[C@H]2OCCN(C)C2=O)o1 ZINC000907559749 650085875 /nfs/dbraw/zinc/08/58/75/650085875.db2.gz OLMCMRKREICWFH-MNOVXSKESA-N 0 0 338.364 -0.050 10 0 EBAERN CCN1CCN(C(=O)[C@@H]2OCCN(C)C2=O)C[C@H]1c1nccn1C ZINC000907567576 650086268 /nfs/dbraw/zinc/08/62/68/650086268.db2.gz OTNLJWIIGGJFGJ-QWHCGFSZSA-N 0 0 335.408 -0.518 10 0 EBAERN CC(C)S(=O)(=O)NCCCc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000222486011 719408839 /nfs/dbraw/zinc/40/88/39/719408839.db2.gz BPNJBMTYVPDHMZ-UHFFFAOYSA-N 0 0 343.409 -0.779 10 0 EBAERN COCCN(C)CC(=O)N1CCN(Cc2ncccn2)C[C@H](O)C1 ZINC000097674160 219045811 /nfs/dbraw/zinc/04/58/11/219045811.db2.gz YLGKHJUTQKOGEC-AWEZNQCLSA-N 0 0 337.424 -0.940 10 0 EBAERN CC(C)(NC(=O)[C@@H]1CCCO1)c1nc2c(c(C(N)=O)n1)OCCO2 ZINC000065293246 214867353 /nfs/dbraw/zinc/86/73/53/214867353.db2.gz SMBPDOFBPDGZRG-QMMMGPOBSA-N 0 0 336.348 -0.123 10 0 EBAERN CNS(=O)(=O)NCC(=O)N1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000408460645 290775921 /nfs/dbraw/zinc/77/59/21/290775921.db2.gz PYPUXNIPPBDSPC-CYBMUJFWSA-N 0 0 335.426 -0.773 10 0 EBAERN CNS(=O)(=O)NCC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000407999001 290776428 /nfs/dbraw/zinc/77/64/28/290776428.db2.gz UHHZCZYUKUSQKO-LLVKDONJSA-N 0 0 329.426 -0.246 10 0 EBAERN Nc1cc(Cl)c(F)c(S(=O)(=O)NCCS(N)(=O)=O)c1 ZINC000036744563 213116069 /nfs/dbraw/zinc/11/60/69/213116069.db2.gz YGAYMYXVAOEZMI-UHFFFAOYSA-N 0 0 331.778 -0.372 10 0 EBAERN Cn1nc(C(=O)N2CCOCC2)c2c1CCN(S(C)(=O)=O)C2 ZINC000035553552 213038109 /nfs/dbraw/zinc/03/81/09/213038109.db2.gz BFTHSARTLDMDGP-UHFFFAOYSA-N 0 0 328.394 -0.790 10 0 EBAERN CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CS(=O)(=O)NC ZINC000370221374 283455556 /nfs/dbraw/zinc/45/55/56/283455556.db2.gz ULTYKFYBRDDITK-GFCCVEGCSA-N 0 0 325.390 -0.765 10 0 EBAERN C[C@@H](NC(=O)C1(N2CCOCC2)CCC1)C(=O)N1CCOCC1 ZINC000408082744 296039874 /nfs/dbraw/zinc/03/98/74/296039874.db2.gz YLIAICHSPWKDLM-CYBMUJFWSA-N 0 0 325.409 -0.395 10 0 EBAERN COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N1CCOC[C@@H]1C(N)=O ZINC000408317703 291343188 /nfs/dbraw/zinc/34/31/88/291343188.db2.gz HNSDWRQWUIZEQU-GMTAPVOTSA-N 0 0 334.394 -0.766 10 0 EBAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000370898609 296140796 /nfs/dbraw/zinc/14/07/96/296140796.db2.gz MWHHNIQTIZSOCJ-MNOVXSKESA-N 0 0 349.478 -0.510 10 0 EBAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000377733921 284337413 /nfs/dbraw/zinc/33/74/13/284337413.db2.gz ZTDJLCUPBIWSPO-RVMXOQNASA-N 0 0 332.422 -0.327 10 0 EBAERN CCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)c1cc(C)nc(N(C)C)n1 ZINC000643586304 375912954 /nfs/dbraw/zinc/91/29/54/375912954.db2.gz WZKVVWVIEFWJJL-BNOWGMLFSA-N 0 0 338.408 -0.319 10 0 EBAERN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000332759818 376037709 /nfs/dbraw/zinc/03/77/09/376037709.db2.gz XJZJTYNKWCCJRK-BPLDGKMQSA-N 0 0 338.452 -0.483 10 0 EBAERN CO[C@H](C)CS(=O)(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000408031972 376095161 /nfs/dbraw/zinc/09/51/61/376095161.db2.gz QYDRBIXJDHCRDT-TZMCWYRMSA-N 0 0 334.438 -0.200 10 0 EBAERN CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H]2OC(=O)O[C@@H]2[C@@H]1OC(C)=O ZINC000044019451 376106956 /nfs/dbraw/zinc/10/69/56/376106956.db2.gz YVYSWHGJPLCVAV-JCIQBVFBSA-N 0 0 332.261 -0.327 10 0 in-vitro EBAERN CCNC(=O)NC(=O)[C@@H](C)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408046586 376123795 /nfs/dbraw/zinc/12/37/95/376123795.db2.gz XKNDLTHJKWKHQL-UTUOFQBUSA-N 0 0 344.387 -0.508 10 0 EBAERN COCCC(=O)N1CCN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000408017791 376281496 /nfs/dbraw/zinc/28/14/96/376281496.db2.gz OGVVSEACASXLGS-GFCCVEGCSA-N 0 0 347.437 -0.594 10 0 EBAERN CN1CCO[C@H]2CCN(S(=O)(=O)CCCS(C)(=O)=O)C[C@H]21 ZINC000408017294 376281621 /nfs/dbraw/zinc/28/16/21/376281621.db2.gz QRDCKOXGHWWRBC-NEPJUHHUSA-N 0 0 340.467 -0.844 10 0 EBAERN C[C@H](O)CN1CCN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC000408017407 376281677 /nfs/dbraw/zinc/28/16/77/376281677.db2.gz MMEQZEVVCJKBLX-FRRDWIJNSA-N 0 0 333.454 -0.388 10 0 EBAERN CC1CCC(NS(=O)(=O)CC(=O)N2CCO[C@H](CO)C2)CC1 ZINC000408002895 376278521 /nfs/dbraw/zinc/27/85/21/376278521.db2.gz PVNPZDXCAYRYEE-BPCQOVAHSA-N 0 0 334.438 -0.296 10 0 EBAERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C1 ZINC000408026662 376287156 /nfs/dbraw/zinc/28/71/56/376287156.db2.gz GBQLOTFZMIMPMA-STQMWFEESA-N 0 0 346.449 -0.201 10 0 EBAERN CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 ZINC000408037551 376287192 /nfs/dbraw/zinc/28/71/92/376287192.db2.gz AXIHCWGEESRMLV-UHFFFAOYSA-N 0 0 342.421 -0.577 10 0 EBAERN CN1CCOC[C@@H]1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000408031959 376290356 /nfs/dbraw/zinc/29/03/56/376290356.db2.gz QTTIDUZFKGABAI-ZIAGYGMSSA-N 0 0 325.409 -0.586 10 0 EBAERN CCc1nnc([C@H]2CN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CCO2)[nH]1 ZINC000408033057 376290445 /nfs/dbraw/zinc/29/04/45/376290445.db2.gz HEKUBKMCNSSGBR-CHWSQXEVSA-N 0 0 334.424 -0.343 10 0 EBAERN C[C@H]1OCCN(CC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)[C@@H]1C(N)=O ZINC000408046345 376295800 /nfs/dbraw/zinc/29/58/00/376295800.db2.gz KUSOFEZKADBRTP-OPDFLTKYSA-N 0 0 340.424 -0.035 10 0 EBAERN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2COCCN2C)CC1 ZINC000408043302 376296467 /nfs/dbraw/zinc/29/64/67/376296467.db2.gz PIXOBWCXGJMLES-HUUCEWRRSA-N 0 0 338.452 -0.528 10 0 EBAERN C[C@@H](C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1)S(C)(=O)=O ZINC000408050431 376297502 /nfs/dbraw/zinc/29/75/02/376297502.db2.gz CYKINHNFWRXVFJ-AXFHLTTASA-N 0 0 336.385 -0.783 10 0 EBAERN COCCN1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000408181853 376406875 /nfs/dbraw/zinc/40/68/75/376406875.db2.gz GUXPIUPLLMFECL-MCIONIFRSA-N 0 0 335.470 -0.007 10 0 EBAERN CNC(=O)[C@@H]1CCCN1C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000408102840 376368140 /nfs/dbraw/zinc/36/81/40/376368140.db2.gz DGWZPVZUNIFUQV-SRVKXCTJSA-N 0 0 326.397 -0.458 10 0 EBAERN COC(=O)C1(CNC(=O)N2CCS(=O)(=O)[C@@H](C)C2)CCOCC1 ZINC000408171434 376399489 /nfs/dbraw/zinc/39/94/89/376399489.db2.gz JLSAGRCDYYJMMH-NSHDSACASA-N 0 0 348.421 -0.215 10 0 EBAERN Cc1nc(S(=O)(=O)NCC(=O)N2[C@@H](C)COC[C@@H]2C)cn1C ZINC000408219078 376429766 /nfs/dbraw/zinc/42/97/66/376429766.db2.gz LGKLUGJWGDSXQE-UWVGGRQHSA-N 0 0 330.410 -0.357 10 0 EBAERN COC(=O)[C@@H]1CS(=O)(=O)CCN1CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000408229468 376433709 /nfs/dbraw/zinc/43/37/09/376433709.db2.gz SKYGVRFMCSZRST-UPJWGTAASA-N 0 0 346.449 -0.237 10 0 EBAERN COCC(=O)N1CCC(NS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)CC1 ZINC000408236055 376436505 /nfs/dbraw/zinc/43/65/05/376436505.db2.gz MYPIPGCTLPRMQU-RYUDHWBXSA-N 0 0 349.453 -0.433 10 0 EBAERN CC(=O)N1CC[C@H](C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)C1 ZINC000408249199 376437505 /nfs/dbraw/zinc/43/75/05/376437505.db2.gz QJIFRSZGKWJOQM-RWMBFGLXSA-N 0 0 331.438 -0.311 10 0 EBAERN CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408189022 376511794 /nfs/dbraw/zinc/51/17/94/376511794.db2.gz LGYNYIXYSGSQBZ-CQSZACIVSA-N 0 0 331.438 -0.213 10 0 EBAERN O=C(CN1CCN(C(=O)N[C@H]2CC[S@](=O)C2)CC1)N1CCCC1 ZINC000408308749 376581794 /nfs/dbraw/zinc/58/17/94/376581794.db2.gz JZNNFBGCQMZZML-NPMABZOXSA-N 0 0 342.465 -0.543 10 0 EBAERN Cn1cc(-c2nnc3n2CCN(C(=O)[C@H]2CC(=O)N(C)C2)C3)cn1 ZINC000370963733 376651193 /nfs/dbraw/zinc/65/11/93/376651193.db2.gz XAKFPNPFKQLMOY-JTQLQIEISA-N 0 0 329.364 -0.501 10 0 EBAERN CNC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000113298604 376654183 /nfs/dbraw/zinc/65/41/83/376654183.db2.gz BGMFUGUVRFHOJJ-LLVKDONJSA-N 0 0 335.389 -0.069 10 0 EBAERN CO[C@H]1C[C@H](C(=O)N2CCN(c3cnccn3)CC2)N(C(C)=O)C1 ZINC000408444883 376736064 /nfs/dbraw/zinc/73/60/64/376736064.db2.gz VCLRCMWWUGWPCC-UONOGXRCSA-N 0 0 333.392 -0.239 10 0 EBAERN CC(C)S(=O)(=O)N1CCC(NC(=O)N2CCNC(=O)CC2)CC1 ZINC000408447582 376736125 /nfs/dbraw/zinc/73/61/25/376736125.db2.gz YNBUYFLTUXTLSB-UHFFFAOYSA-N 0 0 346.453 -0.280 10 0 EBAERN COCC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)CC1 ZINC000408235495 376749070 /nfs/dbraw/zinc/74/90/70/376749070.db2.gz DITKEMUTZIUWKY-RYUDHWBXSA-N 0 0 335.426 -0.869 10 0 EBAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1cnn(CC(F)F)c1 ZINC000120676978 376776707 /nfs/dbraw/zinc/77/67/07/376776707.db2.gz SAPDYRNHSUJOIW-NSHDSACASA-N 0 0 333.339 -0.037 10 0 EBAERN Cc1ccc(-n2cc(C(=O)NC[C@H](O)CN3CCOCC3)nn2)cc1 ZINC000121246780 376788396 /nfs/dbraw/zinc/78/83/96/376788396.db2.gz AFDDOPGFNNQVCF-HNNXBMFYSA-N 0 0 345.403 -0.001 10 0 EBAERN O=C(NCC(F)(F)F)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC000408265480 376807697 /nfs/dbraw/zinc/80/76/97/376807697.db2.gz RGTGQFVFJBSLOE-UHFFFAOYSA-N 0 0 342.303 -0.617 10 0 EBAERN C[C@H]1C(=O)NCCCN1S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000408286970 376832238 /nfs/dbraw/zinc/83/22/38/376832238.db2.gz OIKUXBMWSNQKMT-JTQLQIEISA-N 0 0 342.421 -0.374 10 0 EBAERN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[C@](C)(O)C1 ZINC000408331869 376863307 /nfs/dbraw/zinc/86/33/07/376863307.db2.gz SLRKWKLHZWCMMX-ZANVPECISA-N 0 0 331.394 -0.058 10 0 EBAERN CC(=O)N1CC[C@H](C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)C1 ZINC000408355077 376870597 /nfs/dbraw/zinc/87/05/97/376870597.db2.gz PMKOFKLUTPPACM-ZDUSSCGKSA-N 0 0 338.408 -0.950 10 0 EBAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000408393735 376885732 /nfs/dbraw/zinc/88/57/32/376885732.db2.gz GNIHZLSMIQRSDT-AVGNSLFASA-N 0 0 346.449 -0.191 10 0 EBAERN CCNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)CC1 ZINC000408396175 376889069 /nfs/dbraw/zinc/88/90/69/376889069.db2.gz XVRIFOOXLBBDIA-NEPJUHHUSA-N 0 0 334.442 -0.313 10 0 EBAERN O=C(Cn1cc(-c2ccccc2)nn1)NC[C@@H](O)CN1CCOCC1 ZINC000133114701 376952948 /nfs/dbraw/zinc/95/29/48/376952948.db2.gz GZSRXPWLAQXAMX-OAHLLOKOSA-N 0 0 345.403 -0.246 10 0 EBAERN COC[C@H]1CN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C[C@@H](C)O1 ZINC000332821189 377323730 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O=C(CNC(=O)N1CC[C@H](N2CCOCC2)C1)NCC(F)(F)F ZINC000173789008 154101857 /nfs/dbraw/zinc/10/18/57/154101857.db2.gz IBJXUUYBMYVSCA-JTQLQIEISA-N 0 0 338.330 -0.219 10 0 EBAERN COCCCS(=O)(=O)NCCN1CCC[C@@H](n2cncn2)C1 ZINC000175203137 154108557 /nfs/dbraw/zinc/10/85/57/154108557.db2.gz BQAZYCUGOKQNEH-CYBMUJFWSA-N 0 0 331.442 -0.129 10 0 EBAERN O=C(CN1CCN(c2ccccn2)CC1)NCCCc1nc(=O)[nH][nH]1 ZINC000176263436 154111940 /nfs/dbraw/zinc/11/19/40/154111940.db2.gz RNYDNWCLEMNLCA-UHFFFAOYSA-N 0 0 345.407 -0.636 10 0 EBAERN C[C@@H]1CN(C(=O)NCCN2CCOCC2)C[C@@H]1N1CCOCC1 ZINC000177298472 154113213 /nfs/dbraw/zinc/11/32/13/154113213.db2.gz AQJXXLCIWQHFGZ-CABCVRRESA-N 0 0 326.441 -0.319 10 0 EBAERN CCCC[C@H](NC(=O)NCC)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000178644484 154117605 /nfs/dbraw/zinc/11/76/05/154117605.db2.gz JYCSWKNOKVRZBL-KBPBESRZSA-N 0 0 325.457 -0.020 10 0 EBAERN Cc1ccc(-c2nnn(CC(=O)NC[C@@H]3CN4CCN3CC4)n2)cc1 ZINC000178733531 154120912 /nfs/dbraw/zinc/12/09/12/154120912.db2.gz TWTFGMOYKIXRRR-OAHLLOKOSA-N 0 0 341.419 -0.235 10 0 EBAERN COc1ccc(F)c(NC(=O)C(=O)NC[C@H]2CN3CCN2CC3)c1 ZINC000178958979 154122888 /nfs/dbraw/zinc/12/28/88/154122888.db2.gz LGONQKKHAULMAR-NSHDSACASA-N 0 0 336.367 -0.111 10 0 EBAERN Cc1nn(C)c(C)c1CN1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000180478635 154127309 /nfs/dbraw/zinc/12/73/09/154127309.db2.gz YRWZPPGFMAFTLO-UHFFFAOYSA-N 0 0 348.495 -0.071 10 0 EBAERN COCC(=O)NC1CN(C(=O)Cn2cc(-c3ccccc3)nn2)C1 ZINC000185304851 154140633 /nfs/dbraw/zinc/14/06/33/154140633.db2.gz XBJUHUBHMXHRCG-UHFFFAOYSA-N 0 0 329.360 -0.082 10 0 EBAERN COCC(=O)NC1CN(C(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000185277331 154141440 /nfs/dbraw/zinc/14/14/40/154141440.db2.gz INUIQDHLZSHNLK-UHFFFAOYSA-N 0 0 344.165 -0.276 10 0 EBAERN COC(=O)[C@@]1(C)CCCN1Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000186402265 154143566 /nfs/dbraw/zinc/14/35/66/154143566.db2.gz IGGRFPMUZFLNMB-OAHLLOKOSA-N 0 0 335.364 -0.512 10 0 EBAERN O=C(CCn1nnc2ccccc2c1=O)N1CC(NC(=O)C2CC2)C1 ZINC000189399609 154151582 /nfs/dbraw/zinc/15/15/82/154151582.db2.gz KERUVGZOFHBZQW-UHFFFAOYSA-N 0 0 341.371 -0.081 10 0 EBAERN Cn1cnnc1[C@@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000193894219 154161747 /nfs/dbraw/zinc/16/17/47/154161747.db2.gz RECYOAXLKXHISH-LLVKDONJSA-N 0 0 332.364 -0.918 10 0 EBAERN COCCN1CCN([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C[C@@H]1C ZINC000247171488 154186673 /nfs/dbraw/zinc/18/66/73/154186673.db2.gz MXJCCTCUOVPHBJ-UONOGXRCSA-N 0 0 340.468 -0.236 10 0 EBAERN O=C(CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)N1CCN(Cc2ccccc2)CC1 ZINC000262464450 154231742 /nfs/dbraw/zinc/23/17/42/154231742.db2.gz WFDLPFFXCFASRF-HOTGVXAUSA-N 0 0 346.431 -0.830 10 0 EBAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CCC[C@@H](n2ccnn2)C1 ZINC000333245998 155500150 /nfs/dbraw/zinc/50/01/50/155500150.db2.gz FSPUYQXOBRFHTO-FRRDWIJNSA-N 0 0 332.368 -0.144 10 0 EBAERN CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CSC[C@H]1C(=O)NCC(C)C ZINC000357597799 157158399 /nfs/dbraw/zinc/15/83/99/157158399.db2.gz KDQMRURUNOXPQS-AGIUHOORSA-N 0 0 343.449 -0.358 10 0 EBAERN COCCCNC(=O)[C@H](C)N1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000131921880 292361672 /nfs/dbraw/zinc/36/16/72/292361672.db2.gz KZOSCCZRRYQBBX-LSDHHAIUSA-N 0 0 340.468 -0.186 10 0 EBAERN CO[C@H]1C[C@H](C(=O)N(C)C[C@@H]2CCC[C@@H]2O)N(S(C)(=O)=O)C1 ZINC000365534712 157515465 /nfs/dbraw/zinc/51/54/65/157515465.db2.gz HBSOGMAFBUFETJ-RVMXOQNASA-N 0 0 334.438 -0.345 10 0 EBAERN CN(C1CCN(C(=O)NCC(=O)N2CCCC2)CC1)S(C)(=O)=O ZINC000407973997 157700757 /nfs/dbraw/zinc/70/07/57/157700757.db2.gz BNJGYRYBXXVOAY-UHFFFAOYSA-N 0 0 346.453 -0.326 10 0 EBAERN CN(C)c1nccc(N2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)n1 ZINC000407979758 157700945 /nfs/dbraw/zinc/70/09/45/157700945.db2.gz ANXDQZHTUCFBSJ-LBPRGKRZSA-N 0 0 332.408 -0.283 10 0 EBAERN C[C@H](C(=O)N1CCO[C@@H](CO)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000408001969 157702522 /nfs/dbraw/zinc/70/25/22/157702522.db2.gz JKWIKAKNMPTAGU-GHMZBOCLSA-N 0 0 325.365 -0.541 10 0 EBAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)C1 ZINC000408056915 157708689 /nfs/dbraw/zinc/70/86/89/157708689.db2.gz NIJRIGDTEPFMPH-RWYTXXIDSA-N 0 0 337.298 -0.718 10 0 EBAERN O=C(NC[C@H]1CC[C@H](O)C1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000332868215 418981712 /nfs/dbraw/zinc/98/17/12/418981712.db2.gz FZVBGJJGCIPEPU-XDQVBPFNSA-N 0 0 326.393 -0.330 10 0 EBAERN O=C(NC[C@H]1CC[C@@H](O)C1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000332868213 418982136 /nfs/dbraw/zinc/98/21/36/418982136.db2.gz FZVBGJJGCIPEPU-RFQIPJPRSA-N 0 0 326.393 -0.330 10 0 EBAERN CCNC(=O)CN1CCN(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)CC1 ZINC000408239266 419057463 /nfs/dbraw/zinc/05/74/63/419057463.db2.gz XYDRXZNAKUCBRR-STQMWFEESA-N 0 0 348.469 -0.906 10 0 EBAERN CNC(=O)[C@H]1CCCN1C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000407989987 419130805 /nfs/dbraw/zinc/13/08/05/419130805.db2.gz MLAJUUAJWFGFON-CYBMUJFWSA-N 0 0 339.440 -0.541 10 0 EBAERN CC(=O)N[C@@H]1CCCN([C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000407991736 419131551 /nfs/dbraw/zinc/13/15/51/419131551.db2.gz XSAKOOWXWUJTSY-BNOWGMLFSA-N 0 0 345.465 -0.379 10 0 EBAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000408150681 419214721 /nfs/dbraw/zinc/21/47/21/419214721.db2.gz NETGEJJNRSWPGB-VXGBXAGGSA-N 0 0 347.437 -0.189 10 0 EBAERN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cncnc2)CC1 ZINC000408223155 419242955 /nfs/dbraw/zinc/24/29/55/419242955.db2.gz SQUBDMVEDOOOKD-ZDUSSCGKSA-N 0 0 333.392 -0.518 10 0 EBAERN Cc1c(C(=O)NC[C@@H](O)CN2CCOCC2)cnn1-c1ccccn1 ZINC000121362869 419642224 /nfs/dbraw/zinc/64/22/24/419642224.db2.gz BURZXRKWRSEPBO-CQSZACIVSA-N 0 0 345.403 -0.001 10 0 EBAERN CCOCCNC(=O)CN1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000084679399 419987766 /nfs/dbraw/zinc/98/77/66/419987766.db2.gz WVHREPDZUVRJFK-UHFFFAOYSA-N 0 0 347.423 -0.293 10 0 EBAERN CCc1nnc(NC(=O)N2CCC[C@@H](N3CCNCC3=O)C2)s1 ZINC000333935186 420580930 /nfs/dbraw/zinc/58/09/30/420580930.db2.gz JGDBQTKTUBEIHQ-SNVBAGLBSA-N 0 0 338.437 0.529 10 0 EBAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(C)c2C)CCN1C[C@@H](C)O ZINC000176661644 420687851 /nfs/dbraw/zinc/68/78/51/420687851.db2.gz ZXOXLXMGSNABCM-DGCLKSJQSA-N 0 0 337.424 -0.029 10 0 EBAERN Cc1cc(N2CCN([C@H](C)c3nnnn3C)CC2)n2ncnc2n1 ZINC000189127174 272805721 /nfs/dbraw/zinc/80/57/21/272805721.db2.gz PLJYQLMXJXRBAC-LLVKDONJSA-N 0 0 328.384 -0.161 10 0 EBAERN CN1CCO[C@H]2CCN(C(=O)CCC(=O)N3CCOCC3)C[C@H]21 ZINC000328905825 277128531 /nfs/dbraw/zinc/12/85/31/277128531.db2.gz KHAZJRYJAWFYQJ-KGLIPLIRSA-N 0 0 325.409 -0.443 10 0 EBAERN CN1CC[C@@H](C(=O)N2CCN(c3ccc4nncn4n3)CC2)CC1=O ZINC000136437027 277133351 /nfs/dbraw/zinc/13/33/51/277133351.db2.gz FRJYUCFJIXIDQN-GFCCVEGCSA-N 0 0 343.391 -0.359 10 0 EBAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCO[C@@]3(CCO[C@@H]3C)C2)C1 ZINC000408058459 278031555 /nfs/dbraw/zinc/03/15/55/278031555.db2.gz JUMPVYBDMAUHRX-WQVCFCJDSA-N 0 0 326.393 -0.234 10 0 EBAERN CC(=O)N1CCC[C@](O)(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)C1 ZINC000408053740 278032164 /nfs/dbraw/zinc/03/21/64/278032164.db2.gz PIQISABIDJMXSE-FRFSOERESA-N 0 0 339.436 -0.461 10 0 EBAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CSC[C@H]1C(=O)N(C)C(C)C ZINC000357585624 278072805 /nfs/dbraw/zinc/07/28/05/278072805.db2.gz QXTFYMOGORBDGV-UPJWGTAASA-N 0 0 343.449 -0.264 10 0 EBAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC000357205059 278073159 /nfs/dbraw/zinc/07/31/59/278073159.db2.gz KUUNKFLJUFTQAV-QHSBEEBCSA-N 0 0 341.452 -0.028 10 0 EBAERN CC(=O)OC[C@H]1O[C@@H]2OC(C)=N[C@@H]2[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000100394952 278219915 /nfs/dbraw/zinc/21/99/15/278219915.db2.gz WZFQZRLQMXZMJA-POQQGIQPSA-N 0 0 329.305 -0.045 10 0 EBAERN C[C@H]1CN(C(=O)N2CCS(=O)(=O)CC2)CCN1CC(C)(C)O ZINC000333203986 278399059 /nfs/dbraw/zinc/39/90/59/278399059.db2.gz BKCOKACVHMRTMI-LBPRGKRZSA-N 0 0 333.454 -0.386 10 0 EBAERN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000377213468 278535062 /nfs/dbraw/zinc/53/50/62/278535062.db2.gz HVHHYUYBJFHSDT-GMTAPVOTSA-N 0 0 331.438 -0.313 10 0 EBAERN O=C1[C@@H](N2CCN3C(=O)C(=O)NC[C@H]3C2)CCN1c1ccccc1F ZINC000246704310 280313916 /nfs/dbraw/zinc/31/39/16/280313916.db2.gz SMVIJHODWINBHA-FZMZJTMJSA-N 0 0 346.362 -0.426 10 0 EBAERN CN(C)C(=O)CC(=O)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000408268704 288936291 /nfs/dbraw/zinc/93/62/91/288936291.db2.gz CYZFNJCXLVHZTA-JTQLQIEISA-N 0 0 331.463 -0.058 10 0 EBAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2CS(N)(=O)=O)[C@H](C)CO1 ZINC000408146805 297050056 /nfs/dbraw/zinc/05/00/56/297050056.db2.gz VICSOWROHWXHKV-MXWKQRLJSA-N 0 0 341.455 -0.907 10 0 EBAERN CS(=O)(=O)N1CCO[C@@H]2CCN(C(=O)c3cnccn3)C[C@H]21 ZINC000247493901 295522701 /nfs/dbraw/zinc/52/27/01/295522701.db2.gz CLPVXNJPNNHNCL-VXGBXAGGSA-N 0 0 326.378 -0.649 10 0 EBAERN C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)C[C@@H]1N1CCOCC1 ZINC000329273943 300168554 /nfs/dbraw/zinc/16/85/54/300168554.db2.gz JCNYFZZPXSRTPY-XQLPTFJDSA-N 0 0 339.436 -0.199 10 0 EBAERN O=C1NC[C@@H]2CN(S(=O)(=O)[C@H]3C[C@@H]4CC[C@H]3C4)CCN2C1=O ZINC000333191548 304676919 /nfs/dbraw/zinc/67/69/19/304676919.db2.gz SFGGNKJXPSJCEX-KXNHARMFSA-N 0 0 327.406 -0.853 10 0 EBAERN Cn1ccnc1[C@H]1CN(c2ncccc2S(N)(=O)=O)CCN1C ZINC000373666131 303008170 /nfs/dbraw/zinc/00/81/70/303008170.db2.gz DWBZDUZCOWWCIF-LLVKDONJSA-N 0 0 336.421 -0.044 10 0 EBAERN Cn1ncnc1[C@H]1COCCN1C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000285317479 303103321 /nfs/dbraw/zinc/10/33/21/303103321.db2.gz HXRJEVXZMHMDBM-CMPLNLGQSA-N 0 0 334.380 -0.339 10 0 EBAERN CS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000112655591 525159735 /nfs/dbraw/zinc/15/97/35/525159735.db2.gz FAANWAFEGSVIOY-LLVKDONJSA-N 0 0 327.410 -0.619 10 0 EBAERN CCc1nc2n(n1)C[C@H](NC(=O)CCSc1nnnn1C)CC2 ZINC000114866885 545670756 /nfs/dbraw/zinc/67/07/56/545670756.db2.gz HDPPOBHTZMREQD-SECBINFHSA-N 0 0 336.425 -0.023 10 0 EBAERN CCC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCOCC1 ZINC000332757435 545845641 /nfs/dbraw/zinc/84/56/41/545845641.db2.gz MRMDDJNABKBHEK-QWRGUYRKSA-N 0 0 329.422 -0.339 10 0 EBAERN Cn1nccc1[C@H]1[C@H](NC(=O)N2C[C@@H](F)C[C@@H]2CO)CC(=O)N1C ZINC000332866120 545848215 /nfs/dbraw/zinc/84/82/15/545848215.db2.gz FAZNUHZNYVXFAJ-ICUOPCATSA-N 0 0 339.371 -0.194 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@]1(C)CCC(=O)N1 ZINC000333291171 545860049 /nfs/dbraw/zinc/86/00/49/545860049.db2.gz AUXZDQSXFPJVKR-SMDDNHRTSA-N 0 0 331.438 -0.025 10 0 EBAERN O=C(NC[C@H]1CCC[C@@H]1O)Nc1ccn(CCN2CCOCC2)n1 ZINC000333483601 545862910 /nfs/dbraw/zinc/86/29/10/545862910.db2.gz SYZUNSUAUMUXDM-KGLIPLIRSA-N 0 0 337.424 0.498 10 0 EBAERN CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)/C=C(/C)c3cnccn3)C2)C1 ZINC000888098091 582605522 /nfs/dbraw/zinc/60/55/22/582605522.db2.gz CUMWJEJYZMDPLF-QJGQKNTRSA-N 0 0 343.387 -0.315 10 0 EBAERN CC(C)N(C)S(=O)(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000128465442 584568173 /nfs/dbraw/zinc/56/81/73/584568173.db2.gz WOJCQHGNWMOEQY-UHFFFAOYSA-N 0 0 339.425 -0.169 10 0 EBAERN CC(=O)N1C[C@H](NC(=O)Cn2ncn(C)c2=O)CC[C@H]1C(F)(F)F ZINC000886039530 584655624 /nfs/dbraw/zinc/65/56/24/584655624.db2.gz LNEGKTULFRZULO-ZJUUUORDSA-N 0 0 349.313 -0.360 10 0 EBAERN Cc1nn(C)c2cnn(CCC(=O)NCC(=O)N3CCOCC3)c12 ZINC000223852522 649983335 /nfs/dbraw/zinc/98/33/35/649983335.db2.gz QJRAJHLWZLRLAR-UHFFFAOYSA-N 0 0 334.380 -0.557 10 0 EBAERN Cn1ncc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)n1 ZINC000702811642 650035589 /nfs/dbraw/zinc/03/55/89/650035589.db2.gz ZNHMYJORCDEKFD-KOLCDFICSA-N 0 0 325.369 -0.227 10 0 EBAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNS(=O)(=O)c2c[nH]cn2)C1 ZINC000702840951 650035649 /nfs/dbraw/zinc/03/56/49/650035649.db2.gz DTSYZVSJCGDYIZ-ZJUUUORDSA-N 0 0 346.409 -0.084 10 0 EBAERN COCCOCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702815196 650035685 /nfs/dbraw/zinc/03/56/85/650035685.db2.gz SSRBWEMZYFJXIR-NEPJUHHUSA-N 0 0 332.397 -0.007 10 0 EBAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)CN2CCCC2=O)C1 ZINC000702842194 650036249 /nfs/dbraw/zinc/03/62/49/650036249.db2.gz MAHORUIXSYVJSK-RYUDHWBXSA-N 0 0 341.408 -0.047 10 0 EBAERN CO[C@@H]1CCC[C@H]1[C@H]1COCCN1C(=O)CN1CCNC(=O)C1 ZINC000908109287 650096679 /nfs/dbraw/zinc/09/66/79/650096679.db2.gz JEZFRFSWQKIMFX-BFHYXJOUSA-N 0 0 325.409 -0.539 10 0 EBAERN C[C@@H]1[C@H](C)N(C(=O)CN2CCCC[C@H](O)C2=O)[C@@H](C)C(=O)N1C ZINC000912006087 650199213 /nfs/dbraw/zinc/19/92/13/650199213.db2.gz ORKFAUNLJUBJGQ-VOAKCMCISA-N 0 0 325.409 -0.174 10 0 EBAERN CC1(C)[C@@]2(O)[C@@H](CO)O[C@@H](On3cnc4c3ncnc4Cl)[C@@]12O ZINC000063772282 214767914 /nfs/dbraw/zinc/76/79/14/214767914.db2.gz FHJMEQDRDASWOM-ZIOCZLRTSA-N 0 0 342.739 -0.873 10 0 EBAERN O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(C2SCCCS2)n1 ZINC000100356490 219097957 /nfs/dbraw/zinc/09/79/57/219097957.db2.gz AFDQPGWEHYBTAF-UGKPPGOTSA-N 0 0 346.430 -0.277 10 0 EBAERN CNC(=O)[C@@H]1COC2(CN(C(=O)C3CCSCC3)C2)CN1C ZINC000248089517 283417865 /nfs/dbraw/zinc/41/78/65/283417865.db2.gz UNIHMSLVZUQMKO-LBPRGKRZSA-N 0 0 327.450 -0.213 10 0 EBAERN Cn1c2[nH]c(-n3cc(Br)cn3)nc2c(=O)n(C)c1=O ZINC000038074908 213200905 /nfs/dbraw/zinc/20/09/05/213200905.db2.gz OPKSUCSOHRMORE-UHFFFAOYSA-N 0 0 325.126 -0.092 10 0 EBAERN COC(=O)[C@@H]1CCCCN1C(=O)[C@H]1C[C@H](OC)CN1S(C)(=O)=O ZINC000365752959 291320315 /nfs/dbraw/zinc/32/03/15/291320315.db2.gz KCMRGOWXEYRYOE-SDDRHHMPSA-N 0 0 348.421 -0.411 10 0 EBAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCN2CCOC[C@@H]2C1 ZINC000366506819 291381320 /nfs/dbraw/zinc/38/13/20/291381320.db2.gz UACXHKMPBWZKAM-XQQFMLRXSA-N 0 0 332.422 -0.326 10 0 EBAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCSC[C@@H]1C(N)=O ZINC000408335419 291381708 /nfs/dbraw/zinc/38/17/08/291381708.db2.gz HMNXQCSKMAHJSG-BBBLOLIVSA-N 0 0 336.435 -0.439 10 0 EBAERN Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)ccc12 ZINC000015206314 211807631 /nfs/dbraw/zinc/80/76/31/211807631.db2.gz YUDPTGPSBJVHCN-DPZJBDQQSA-N 0 0 338.312 -0.720 10 0 EBAERN CC(C)[C@H](NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCC(=O)[O-] ZINC000002597013 375886125 /nfs/dbraw/zinc/88/61/25/375886125.db2.gz NWEGIYMHTZXVBP-OCCSQVGLSA-N 0 0 337.376 -0.396 10 0 EBAERN C[C@H]1OCCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)[C@@H]1C(N)=O ZINC000285582113 375894426 /nfs/dbraw/zinc/89/44/26/375894426.db2.gz SQGUIGUDRZLIBZ-DCQANWLSSA-N 0 0 337.376 -0.737 10 0 EBAERN Cn1cc(S(=O)(=O)N2CCC[C@@](O)(C(=O)N3CCCC3)C2)cn1 ZINC000408030787 376093045 /nfs/dbraw/zinc/09/30/45/376093045.db2.gz ICOKLPZQVYGESE-AWEZNQCLSA-N 0 0 342.421 -0.442 10 0 EBAERN CCN(CC)n1c(=O)[nH]c2cc(Cl)c(S(N)(=O)=O)cc2c1=O ZINC000033872667 376057184 /nfs/dbraw/zinc/05/71/84/376057184.db2.gz FYCRRVLNEJXJNJ-UHFFFAOYSA-N 0 0 346.796 -0.032 10 0 EBAERN COC[C@@H]1C[C@H](OC)CN1C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000408064814 376151294 /nfs/dbraw/zinc/15/12/94/376151294.db2.gz WNNHRBCJTWRETP-RYUDHWBXSA-N 0 0 335.426 -0.836 10 0 EBAERN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)o1 ZINC000407952839 376271978 /nfs/dbraw/zinc/27/19/78/376271978.db2.gz AZWAPCHNUYLFPT-NXEZZACHSA-N 0 0 341.389 -0.120 10 0 EBAERN CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000408024053 376285221 /nfs/dbraw/zinc/28/52/21/376285221.db2.gz XNVNFPJMZQNNGA-AVGNSLFASA-N 0 0 333.454 -0.076 10 0 EBAERN C[C@H](CCS(C)(=O)=O)NC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000408023837 376285371 /nfs/dbraw/zinc/28/53/71/376285371.db2.gz WCWWDROWRZZKKI-JHJVBQTASA-N 0 0 333.454 -0.076 10 0 EBAERN CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000408024056 376285507 /nfs/dbraw/zinc/28/55/07/376285507.db2.gz XNVNFPJMZQNNGA-YNEHKIRRSA-N 0 0 333.454 -0.076 10 0 EBAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)[C@H](C)S(C)(=O)=O)C1 ZINC000408038740 376286789 /nfs/dbraw/zinc/28/67/89/376286789.db2.gz PCCDGZUYEONTNO-SRVKXCTJSA-N 0 0 332.422 -0.342 10 0 EBAERN Cn1cc(S(=O)(=O)N2CCC[C@](O)(C(=O)N3CCCC3)C2)cn1 ZINC000408030789 376288707 /nfs/dbraw/zinc/28/87/07/376288707.db2.gz ICOKLPZQVYGESE-CQSZACIVSA-N 0 0 342.421 -0.442 10 0 EBAERN Cc1noc([C@@H]2CN(C(=O)CN(C)S(C)(=O)=O)CCN2C)n1 ZINC000408034507 376291751 /nfs/dbraw/zinc/29/17/51/376291751.db2.gz FTWIEEVBJAQEMB-JTQLQIEISA-N 0 0 331.398 -0.915 10 0 EBAERN CC[C@H](CO)N1CCN(C(=O)[C@]2(O)CCCN(C(C)=O)C2)CC1 ZINC000408050759 376297519 /nfs/dbraw/zinc/29/75/19/376297519.db2.gz FTQJYHKHEARUTF-ZBFHGGJFSA-N 0 0 327.425 -0.725 10 0 EBAERN CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)N(C)C1 ZINC000408055884 376298992 /nfs/dbraw/zinc/29/89/92/376298992.db2.gz XRCCTDAWSALBFK-RNJOBUHISA-N 0 0 333.454 -0.318 10 0 EBAERN Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)CN(C)S(C)(=O)=O)n1 ZINC000408055731 376299405 /nfs/dbraw/zinc/29/94/05/376299405.db2.gz XIZOGBHTHZHPEY-KCJUWKMLSA-N 0 0 332.382 -0.442 10 0 EBAERN CN(C)S(=O)(=O)CC(=O)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000408184578 376410238 /nfs/dbraw/zinc/41/02/38/376410238.db2.gz CEAJAWIGNCFKGV-LLVKDONJSA-N 0 0 349.478 -0.556 10 0 EBAERN CC(=O)N1CC[C@H](NC(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC000408101295 376366867 /nfs/dbraw/zinc/36/68/67/376366867.db2.gz KFCMNGFLRBGBNL-XQQFMLRXSA-N 0 0 326.397 -0.458 10 0 EBAERN C[C@@H](O)CN1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C[C@H]1C ZINC000408109919 376373702 /nfs/dbraw/zinc/37/37/02/376373702.db2.gz IOMVCIJHVGLXHN-CHWSQXEVSA-N 0 0 347.481 -0.429 10 0 EBAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2CCCCNC2=O)C1 ZINC000408159157 376390957 /nfs/dbraw/zinc/39/09/57/376390957.db2.gz PRNYCOQQTQASRD-NEPJUHHUSA-N 0 0 346.453 -0.233 10 0 EBAERN C[C@@H]1C[C@H](O)CN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000385178067 376485834 /nfs/dbraw/zinc/48/58/34/376485834.db2.gz XFDDKYANXUFAFR-MNOVXSKESA-N 0 0 343.405 -0.369 10 0 EBAERN CN(C)C(=O)CC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000408272192 376532117 /nfs/dbraw/zinc/53/21/17/376532117.db2.gz ZFIWUCPOISKPJJ-UHFFFAOYSA-N 0 0 338.452 -0.133 10 0 EBAERN CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)o1 ZINC000408294040 376565624 /nfs/dbraw/zinc/56/56/24/376565624.db2.gz JYCFGTZPNCZEHX-ONGXEEELSA-N 0 0 329.378 -0.657 10 0 EBAERN Cc1nn(C)c(C)c1CN1CCN(Cc2nc(N)nc(N)n2)CC1 ZINC000105865700 376570109 /nfs/dbraw/zinc/57/01/09/376570109.db2.gz WIGQTVPQZZTZDI-UHFFFAOYSA-N 0 0 331.428 -0.296 10 0 EBAERN CC(=O)NC[C@@]1(N2CCN(C(=O)Cn3ccc(C)n3)CC2)CCOC1 ZINC000257190912 376681208 /nfs/dbraw/zinc/68/12/08/376681208.db2.gz OEYNKZJKOVYKFP-KRWDZBQOSA-N 0 0 349.435 -0.369 10 0 EBAERN COC(=O)[C@@]1(C)CCCN1C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000408374214 376717864 /nfs/dbraw/zinc/71/78/64/376717864.db2.gz JUNBJEZLVZXHIX-CYBMUJFWSA-N 0 0 333.410 -0.544 10 0 EBAERN CO[C@H]1C[C@H](C(=O)N2CCO[C@@H](C(C)C)C2)N(S(C)(=O)=O)C1 ZINC000408272170 376815178 /nfs/dbraw/zinc/81/51/78/376815178.db2.gz YQDLNYJZYVWRSB-YNEHKIRRSA-N 0 0 334.438 -0.081 10 0 EBAERN CNS(=O)(=O)c1cccc(C(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000408289987 376833841 /nfs/dbraw/zinc/83/38/41/376833841.db2.gz GXDADSSOZFHFIW-SNVBAGLBSA-N 0 0 325.390 -0.055 10 0 EBAERN Cc1nsc(N2CCCN(C(=O)[C@H]3CC[C@H](C(N)=O)O3)CC2)n1 ZINC000408293340 376835339 /nfs/dbraw/zinc/83/53/39/376835339.db2.gz GKKABYSNJSYIRC-GHMZBOCLSA-N 0 0 339.421 -0.082 10 0 EBAERN CC(C)[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)N1CCOCC1 ZINC000408416849 376901341 /nfs/dbraw/zinc/90/13/41/376901341.db2.gz RBIABDYYJIYEMW-RYUDHWBXSA-N 0 0 332.422 -0.579 10 0 EBAERN CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO[C@@H]2C)CC1 ZINC000408330859 376863493 /nfs/dbraw/zinc/86/34/93/376863493.db2.gz KUXNMWWHKDBZQJ-OLZOCXBDSA-N 0 0 325.409 -0.003 10 0 EBAERN O=C(CN1CCS(=O)(=O)CC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000408350488 376869433 /nfs/dbraw/zinc/86/94/33/376869433.db2.gz RGNZNBLYAWOWFM-HIFRSBDPSA-N 0 0 330.450 -0.130 10 0 EBAERN Cc1cc(C(=O)NC[C@H](O)CN2CCOCC2)ccc1-n1cncn1 ZINC000128053684 376871103 /nfs/dbraw/zinc/87/11/03/376871103.db2.gz UZGQPVNELWUFRY-HNNXBMFYSA-N 0 0 345.403 -0.001 10 0 EBAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)NC[C@H]2COCCO2)C1 ZINC000408394909 376886504 /nfs/dbraw/zinc/88/65/04/376886504.db2.gz RPKOZJMKBYZTSP-RYUDHWBXSA-N 0 0 335.426 -0.487 10 0 EBAERN Cc1nc([C@H]2CN(S(=O)(=O)[C@H](C)C(=O)N(C)C)CCO2)no1 ZINC000408448926 376925872 /nfs/dbraw/zinc/92/58/72/376925872.db2.gz CFWCEUBHBLDTHF-PSASIEDQSA-N 0 0 332.382 -0.442 10 0 EBAERN CCN(C(=O)N[C@@]1(C)CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000033888885 377044987 /nfs/dbraw/zinc/04/49/87/377044987.db2.gz AFNDKPGTXSQWDE-PWSUYJOCSA-N 0 0 338.451 -0.218 10 0 EBAERN COC(=O)[C@@H](C)NC(=O)[C@H]1CN(C(C)=O)CCN1C(=O)NC(C)C ZINC000005398499 377160825 /nfs/dbraw/zinc/16/08/25/377160825.db2.gz IUCROAAGXOERMY-ZYHUDNBSSA-N 0 0 342.396 -0.685 10 0 EBAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCCNC(=O)[C@H]1C ZINC000364538659 377162912 /nfs/dbraw/zinc/16/29/12/377162912.db2.gz AWPYLHLCAJJZTG-MNOVXSKESA-N 0 0 333.410 -0.531 10 0 EBAERN CC[C@@H](NC(=O)N1CCCNC(=O)[C@H]1C)C(=O)N1CCOCC1 ZINC000364552679 377163229 /nfs/dbraw/zinc/16/32/29/377163229.db2.gz VPWSHUJSBPCTPF-VXGBXAGGSA-N 0 0 326.397 -0.456 10 0 EBAERN C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000332821114 377324271 /nfs/dbraw/zinc/32/42/71/377324271.db2.gz CQTIBUHWNQMNTK-FIQHERPVSA-N 0 0 343.409 -0.565 10 0 EBAERN C[C@H]1OCC[C@@]12CN(C(=O)N[C@H]1COC[C@H]1n1ccnn1)CCO2 ZINC000332827507 377326252 /nfs/dbraw/zinc/32/62/52/377326252.db2.gz MUINJTJQIAFQOJ-QVHKTLOISA-N 0 0 337.380 -0.193 10 0 EBAERN Nc1ccccc1NC(=O)c1ccc(C(=O)NC[C@H](O)CO)cn1 ZINC000038541626 377509479 /nfs/dbraw/zinc/50/94/79/377509479.db2.gz DSDDKCKJEGSSSC-NSHDSACASA-N 0 0 330.344 -0.001 10 0 EBAERN CC1(C)O[C@@H]2[C@@H](CO)O[C@@H](n3cc(CO)c(=O)[nH]c3=S)[C@@H]2O1 ZINC000199374032 377502413 /nfs/dbraw/zinc/50/24/13/377502413.db2.gz BETDENPMPLSMTA-TURQNECASA-N 0 0 330.362 -0.192 10 0 EBAERN Cc1nnnn1CC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000364478313 377618319 /nfs/dbraw/zinc/61/83/19/377618319.db2.gz UKURIZHPTKLYFH-HNNXBMFYSA-N 0 0 330.392 -0.001 10 0 EBAERN CCN(CC)C(=O)CN1CCN(C[C@@H](O)CN2CCCC2=O)CC1 ZINC000111682624 378482505 /nfs/dbraw/zinc/48/25/05/378482505.db2.gz GUHHYGIYOTVDJR-OAHLLOKOSA-N 0 0 340.468 -0.544 10 0 EBAERN COCCN1CCN(C(=O)C[C@H]2C(=O)NCCN2C(C)C)CC1 ZINC000011714963 211240810 /nfs/dbraw/zinc/24/08/10/211240810.db2.gz JBQSXDKZAIGFGW-AWEZNQCLSA-N 0 0 326.441 -0.624 10 0 EBAERN NC(=O)CN1CCC(C(=O)NCCCc2nnc(N)s2)CC1 ZINC000091746668 218058500 /nfs/dbraw/zinc/05/85/00/218058500.db2.gz 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C[C@@H]1OCC[C@@H]1NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000270606290 379462963 /nfs/dbraw/zinc/46/29/63/379462963.db2.gz GVLXNHJURPTWOO-XVKPBYJWSA-N 0 0 340.361 -0.510 10 0 EBAERN C[C@@H]1CN(S(=O)(=O)N2CCN(c3cnn(C)c3)CC2)[C@@H](C)CO1 ZINC000245472091 379952719 /nfs/dbraw/zinc/95/27/19/379952719.db2.gz YOWVPEBSQGIHSP-QWHCGFSZSA-N 0 0 343.453 -0.104 10 0 EBAERN C[C@@H]1CN(C(=O)c2cnn(CCN3CCOCC3)c2)CC(=O)N1C ZINC000374405213 380793014 /nfs/dbraw/zinc/79/30/14/380793014.db2.gz WWCJCWQUCHLKJU-CYBMUJFWSA-N 0 0 335.408 -0.482 10 0 EBAERN O=C(NC[C@@H](O)CN1CCOCC1)[C@@H]1CCCN1c1nccs1 ZINC000248896712 381197791 /nfs/dbraw/zinc/19/77/91/381197791.db2.gz LDAWYMKSTLYQHN-OLZOCXBDSA-N 0 0 340.449 -0.079 10 0 EBAERN O=C(CNC(=O)COc1ccccc1)N[C@H]1CCc2ncnn2C1 ZINC000112725339 381257090 /nfs/dbraw/zinc/25/70/90/381257090.db2.gz QEEPHTGZJMJUQA-LBPRGKRZSA-N 0 0 329.360 -0.096 10 0 EBAERN CCn1c(N)c(C(=O)CN2CC[C@H](c3cnn(C)c3)C2)c(=O)[nH]c1=O ZINC000116314914 381258368 /nfs/dbraw/zinc/25/83/68/381258368.db2.gz VKFCVUQHQSQBGK-JTQLQIEISA-N 0 0 346.391 -0.456 10 0 EBAERN CN(C)C(=O)Cn1cc(C(=O)N2CCC(n3cncn3)CC2)nn1 ZINC000120367316 381263232 /nfs/dbraw/zinc/26/32/32/381263232.db2.gz BYQVRPHEFWFILR-UHFFFAOYSA-N 0 0 332.368 -0.565 10 0 EBAERN O=C(CN1CCO[C@@H]2CCC[C@H]21)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000332778744 381266438 /nfs/dbraw/zinc/26/64/38/381266438.db2.gz OTHZDXXJGLTTID-IJLUTSLNSA-N 0 0 345.421 -0.747 10 0 EBAERN CCS(=O)(=O)NCC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000126737120 381288294 /nfs/dbraw/zinc/28/82/94/381288294.db2.gz FJCHIJLEPGHSKD-JTQLQIEISA-N 0 0 329.426 -0.228 10 0 EBAERN O=C(Cn1cnnn1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccco2)CC1 ZINC000127464760 381291844 /nfs/dbraw/zinc/29/18/44/381291844.db2.gz LRNMIWPZMBWLJD-RYUDHWBXSA-N 0 0 330.348 -0.259 10 0 EBAERN Cc1cc(N2CCN(C(=O)[C@H]3COCCN3)CC2)n2ncnc2n1 ZINC000166954769 381610797 /nfs/dbraw/zinc/61/07/97/381610797.db2.gz ZDDIMWDTDLDWBN-GFCCVEGCSA-N 0 0 331.380 -0.930 10 0 EBAERN CCCc1cc(NC(=O)C(=O)NC[C@@H]2CN3CCN2CC3)n(C)n1 ZINC000093223998 381881158 /nfs/dbraw/zinc/88/11/58/381881158.db2.gz YZGXIMGVLCAYKN-CYBMUJFWSA-N 0 0 334.424 -0.573 10 0 EBAERN CCCc1cc(NC(=O)C(=O)NC[C@H]2CN3CCN2CC3)n(C)n1 ZINC000093223999 381881986 /nfs/dbraw/zinc/88/19/86/381881986.db2.gz YZGXIMGVLCAYKN-ZDUSSCGKSA-N 0 0 334.424 -0.573 10 0 EBAERN CCCN(C(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000006593220 381894341 /nfs/dbraw/zinc/89/43/41/381894341.db2.gz MAPZNVQLYOQEAG-MNOVXSKESA-N 0 0 338.451 -0.218 10 0 EBAERN CN(CC(N)=O)C[C@@H]1CN(C(=O)NC[C@H]2CN(C)CCO2)CCO1 ZINC000333124929 381891155 /nfs/dbraw/zinc/89/11/55/381891155.db2.gz HRTSIUSXGBQMFY-QWHCGFSZSA-N 0 0 343.428 -0.806 10 0 EBAERN CO[C@H]1C[C@H](C(=O)N2CCOC[C@]23CCOC3)N(S(C)(=O)=O)C1 ZINC000333556393 381934295 /nfs/dbraw/zinc/93/42/95/381934295.db2.gz QVTSGGICGIYJMC-OUCADQQQSA-N 0 0 348.421 -0.947 10 0 EBAERN CO[C@H]1COC[C@H]1NC(=O)N1C[C@@H](OC)C[C@H]1C(=O)N1CCCC1 ZINC000333578664 381937220 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C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000328637749 155184914 /nfs/dbraw/zinc/18/49/14/155184914.db2.gz CVTTYOZZAZUDMG-ZIAGYGMSSA-N 0 0 325.409 -0.586 10 0 EBAERN C[C@H](C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)N1CCOCC1 ZINC000328864662 155191842 /nfs/dbraw/zinc/19/18/42/155191842.db2.gz NAOBWDMWUOPQPA-HUUCEWRRSA-N 0 0 339.436 -0.196 10 0 EBAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCC[C@H](Cn3cncn3)C2)C1 ZINC000329135346 155208423 /nfs/dbraw/zinc/20/84/23/155208423.db2.gz QNZIJNSBNWUCQS-GOEBONIOSA-N 0 0 335.408 -0.110 10 0 EBAERN C[C@H]1CN(C)CCN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000329288702 155216714 /nfs/dbraw/zinc/21/67/14/155216714.db2.gz QCKPEOHCFPKBBE-LSDHHAIUSA-N 0 0 338.452 -0.670 10 0 EBAERN Cc1noc([C@@H](C)N2CCN(C(=O)Cn3cccnc3=O)CC2)n1 ZINC000329347302 155220627 /nfs/dbraw/zinc/22/06/27/155220627.db2.gz DEGMZDRUAOFZQR-LLVKDONJSA-N 0 0 332.364 -0.160 10 0 EBAERN O=C(CN1CCCS1(=O)=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000329460139 155226866 /nfs/dbraw/zinc/22/68/66/155226866.db2.gz 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332.404 -0.010 10 0 EBAERN CN1CCN(C(=O)CCNC(=O)N2CCC[C@H](n3cncn3)C2)CC1 ZINC000173819228 154104294 /nfs/dbraw/zinc/10/42/94/154104294.db2.gz BMAYAZIHYLQICV-AWEZNQCLSA-N 0 0 349.439 -0.211 10 0 EBAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cn(CC(N)=O)nn1)CC2 ZINC000174986745 154106209 /nfs/dbraw/zinc/10/62/09/154106209.db2.gz GOCPGUYXOMBJAL-SECBINFHSA-N 0 0 332.368 -0.777 10 0 EBAERN CCOCCNC(=O)CN1CCN(c2ccc3nncn3n2)CC1 ZINC000175959450 154108833 /nfs/dbraw/zinc/10/88/33/154108833.db2.gz ZOPZMOYCMLXZHE-UHFFFAOYSA-N 0 0 333.396 -0.601 10 0 EBAERN C[C@@H]1CN(C(=O)NC[C@@H]2CN(C)CCO2)C[C@H]1N1CCOCC1 ZINC000175762154 154109319 /nfs/dbraw/zinc/10/93/19/154109319.db2.gz LLCGFAJKLLKDLX-RBSFLKMASA-N 0 0 326.441 -0.321 10 0 EBAERN CC(C)NC(=O)CN1CCN(C(=O)N[C@@H]2CCCn3ncnc32)CC1 ZINC000176602007 154112062 /nfs/dbraw/zinc/11/20/62/154112062.db2.gz CSLWWIBKDHOHSQ-CYBMUJFWSA-N 0 0 349.439 -0.035 10 0 EBAERN Nc1c(C(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000178641522 154119131 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-0.087 10 0 EBAERN CNS(=O)(=O)NCC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1OC ZINC000408064933 290777014 /nfs/dbraw/zinc/77/70/14/290777014.db2.gz MPROZDJPSSOLRO-QJPTWQEYSA-N 0 0 335.426 -0.917 10 0 EBAERN O=S1(=O)C[C@@H](O)[C@@H](Sc2nnnn2-c2ccc(O)cc2)C1 ZINC000037977605 213179741 /nfs/dbraw/zinc/17/97/41/213179741.db2.gz GJKOHVMWDPPPTN-ZJUUUORDSA-N 0 0 328.375 -0.382 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CC(=O)N(CCOC)C1 ZINC000328673735 283442419 /nfs/dbraw/zinc/44/24/19/283442419.db2.gz JGAQOQUSYQFOHO-LBPRGKRZSA-N 0 0 347.437 -0.535 10 0 EBAERN Nc1ncnc2c1c(-c1cc[nH]n1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000072108682 216010365 /nfs/dbraw/zinc/01/03/65/216010365.db2.gz CEXHZJCZGGFELS-IDTAVKCVSA-N 0 0 332.320 -0.985 10 0 EBAERN CCNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H]2OC(C)(C)O[C@@H]12 ZINC000022058800 212274403 /nfs/dbraw/zinc/27/44/03/212274403.db2.gz FIHQDKWIAMIECN-RUMNANIHSA-N 0 0 348.363 -0.038 10 0 in-vitro EBAERN Cc1cc(=O)oc2cc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3[NH3+])ccc12 ZINC000022064030 212274487 /nfs/dbraw/zinc/27/44/87/212274487.db2.gz XPBYRVZLJCNXMD-GZFHQYITSA-N 0 0 337.328 -0.753 10 0 in-vitro EBAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCN2C(=O)N=NC2C1 ZINC000408335385 291390602 /nfs/dbraw/zinc/39/06/02/291390602.db2.gz HDCUXSMXOQLSDU-RKDXNWHRSA-N 0 0 330.366 -0.529 10 0 EBAERN CC(=O)Nc1ccc(C(=O)Nc2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000001855824 375878445 /nfs/dbraw/zinc/87/84/45/375878445.db2.gz ZLSSSGLGTDGMDE-UHFFFAOYSA-N 0 0 331.332 -0.123 10 0 EBAERN Cc1ccc(CCC(=O)N2CCN([C@@H]3COC[C@@H](O)[C@H]3O)CC2)o1 ZINC000643586166 375913368 /nfs/dbraw/zinc/91/33/68/375913368.db2.gz BGLYWCCUCJBACB-INMHGKMJSA-N 0 0 338.404 -0.215 10 0 EBAERN CN1C(=O)N[C@@H]2CN(C(=O)Cn3c4ccccc4[nH]c3=O)CC[C@@H]21 ZINC000286091161 375926976 /nfs/dbraw/zinc/92/69/76/375926976.db2.gz DIDNXGNTFQCZQI-NEPJUHHUSA-N 0 0 329.360 -0.046 10 0 EBAERN CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H](C)[C@@H]2CCCO2)CC1 ZINC000045683073 375991872 /nfs/dbraw/zinc/99/18/72/375991872.db2.gz CHTBEWSDMYIEFS-STQMWFEESA-N 0 0 340.424 -0.068 10 0 EBAERN O=c1ccn([C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(C2SCCCS2)n1 ZINC000017120748 375999135 /nfs/dbraw/zinc/99/91/35/375999135.db2.gz AFDQPGWEHYBTAF-BXSSEVMYSA-N 0 0 346.430 -0.277 10 0 EBAERN Cc1noc([C@@H]2CN(S(=O)(=O)c3ccnn3C)CCN2C)n1 ZINC000408027195 376287185 /nfs/dbraw/zinc/28/71/85/376287185.db2.gz LZRLAPRGGRUFDP-JTQLQIEISA-N 0 0 326.382 -0.211 10 0 EBAERN CN(C)C(=O)c1cc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CO)cn1C ZINC000408031136 376290614 /nfs/dbraw/zinc/29/06/14/376290614.db2.gz QQKCLDNDWVPBRH-UWVGGRQHSA-N 0 0 333.385 -0.180 10 0 EBAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1C[C@H](F)C[C@H]1C(N)=O ZINC000408030841 376290941 /nfs/dbraw/zinc/29/09/41/376290941.db2.gz OBIPNSZVETUHRL-BBBLOLIVSA-N 0 0 337.373 -0.844 10 0 EBAERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000408056667 376299709 /nfs/dbraw/zinc/29/97/09/376299709.db2.gz KAPMVPGCUYQOOE-ZIBATOQPSA-N 0 0 343.449 -0.227 10 0 EBAERN CCOC(=O)C1(C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)CCOCC1 ZINC000408075866 376304370 /nfs/dbraw/zinc/30/43/70/376304370.db2.gz YKCBLAZEFHIRDR-OLZOCXBDSA-N 0 0 326.393 -0.112 10 0 EBAERN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C2(O)CCCC2)CC1 ZINC000408184060 376409070 /nfs/dbraw/zinc/40/90/70/376409070.db2.gz WLZIKLLBKZZFQY-AWEZNQCLSA-N 0 0 339.436 -0.317 10 0 EBAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCn2ccnc2C1 ZINC000408200282 376417696 /nfs/dbraw/zinc/41/76/96/376417696.db2.gz BMMMUEVQJLDKKQ-NSHDSACASA-N 0 0 328.394 -0.029 10 0 EBAERN NS(=O)(=O)c1ccc(C(=O)N2CCN3CCOC[C@@H]3C2)cc1F ZINC000408202756 376419667 /nfs/dbraw/zinc/41/96/67/376419667.db2.gz NVSQAMIFYMKFMV-NSHDSACASA-N 0 0 343.380 -0.370 10 0 EBAERN CC(=O)N1CCN(C(=O)Cn2cnc3c2ncnc3N)C(C)(C)C1 ZINC000408105068 376371552 /nfs/dbraw/zinc/37/15/52/376371552.db2.gz RUQCDGAGEHYGGR-UHFFFAOYSA-N 0 0 331.380 -0.122 10 0 EBAERN COC(=O)[C@H]1C[C@H](OC)CN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000408129852 376381116 /nfs/dbraw/zinc/38/11/16/376381116.db2.gz RXHMKKAQCZTEHH-NWDGAFQWSA-N 0 0 348.421 -0.553 10 0 EBAERN CN1C[C@H](NC(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1=O ZINC000408151666 376386988 /nfs/dbraw/zinc/38/69/88/376386988.db2.gz ROOYWEQQXVGEFE-VWYCJHECSA-N 0 0 332.426 -0.623 10 0 EBAERN Cn1cc(S(=O)(=O)N2CCC[C@H]3C(=O)NC[C@H]32)cc1C(N)=O ZINC000408219988 376430237 /nfs/dbraw/zinc/43/02/37/376430237.db2.gz RVVIDCLDWVYQSQ-MWLCHTKSSA-N 0 0 326.378 -0.977 10 0 EBAERN C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@H]1N1CCOCC1 ZINC000408234119 376436103 /nfs/dbraw/zinc/43/61/03/376436103.db2.gz ZNHAFAYZCWVZBW-GHMZBOCLSA-N 0 0 343.405 -0.280 10 0 EBAERN CNC(=O)[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)C2CCC2)CCO1 ZINC000408173364 376450299 /nfs/dbraw/zinc/45/02/99/376450299.db2.gz KDYUETMZCPLYPK-NEPJUHHUSA-N 0 0 341.433 -0.339 10 0 EBAERN CN(C)S(=O)(=O)CC(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000408185895 376509003 /nfs/dbraw/zinc/50/90/03/376509003.db2.gz NRTKJONJDWWQLK-CYBMUJFWSA-N 0 0 330.410 -0.615 10 0 EBAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H]1CCN(C(C)=O)C1 ZINC000408285888 376549118 /nfs/dbraw/zinc/54/91/18/376549118.db2.gz JDJYKDLZWMJRLV-NWDGAFQWSA-N 0 0 333.410 -0.531 10 0 EBAERN C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]([NH3+])Cc1cccc(F)c1)C(=O)[O-] ZINC000029468442 376652343 /nfs/dbraw/zinc/65/23/43/376652343.db2.gz DYJPZEILSXWEAK-HOTUBEGUSA-N 0 0 325.340 -0.211 10 0 EBAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000408397030 376720635 /nfs/dbraw/zinc/72/06/35/376720635.db2.gz RYNJMUKICAAUMV-CHWSQXEVSA-N 0 0 348.469 -0.571 10 0 EBAERN NS(=O)(=O)c1cc(C(=O)N2CC[C@@H](N3CCOCC3)C2)cs1 ZINC000408231714 376721253 /nfs/dbraw/zinc/72/12/53/376721253.db2.gz OUNRUODJXKBCRM-LLVKDONJSA-N 0 0 345.446 -0.058 10 0 EBAERN CC(C)[C@H](C)CC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000408349059 376712119 /nfs/dbraw/zinc/71/21/19/376712119.db2.gz GOHYHSJMSRQTEW-MCIONIFRSA-N 0 0 332.466 -0.029 10 0 EBAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CCO[C@H](CO)C1 ZINC000408363367 376715263 /nfs/dbraw/zinc/71/52/63/376715263.db2.gz WKDANRATACTDHG-KGLIPLIRSA-N 0 0 334.438 -0.200 10 0 EBAERN CNC(=O)N[C@@H]1CCN([C@@H](C)C(=O)N2CCN(C(C)=O)CC2)C1 ZINC000408258561 376798590 /nfs/dbraw/zinc/79/85/90/376798590.db2.gz YEZXWGLTOMMWMA-WCQYABFASA-N 0 0 325.413 -0.931 10 0 EBAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000363233243 376792910 /nfs/dbraw/zinc/79/29/10/376792910.db2.gz DPNMWVOUOJSDQF-TZMCWYRMSA-N 0 0 348.407 -0.165 10 0 EBAERN COCCC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)CC1 ZINC000408302919 376842083 /nfs/dbraw/zinc/84/20/83/376842083.db2.gz KPMCRQNOSPMNGI-STQMWFEESA-N 0 0 349.453 -0.479 10 0 EBAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@H]2COCCO2)C1 ZINC000408394912 376885509 /nfs/dbraw/zinc/88/55/09/376885509.db2.gz RPKOZJMKBYZTSP-VXGBXAGGSA-N 0 0 335.426 -0.487 10 0 EBAERN Cc1nn(C)c(C)c1OCC(=O)N1C[C@@H](O)[C@H](Oc2cnn(C)c2)C1 ZINC000628260511 377195482 /nfs/dbraw/zinc/19/54/82/377195482.db2.gz JLZJQNYMHRJMEX-ZIAGYGMSSA-N 0 0 349.391 -0.200 10 0 EBAERN CN1CCO[C@H]2CCN(C(=O)NCC3(S(C)(=O)=O)CC3)C[C@@H]21 ZINC000332762423 377313306 /nfs/dbraw/zinc/31/33/06/377313306.db2.gz WLKCNAXTOMWSLN-RYUDHWBXSA-N 0 0 331.438 -0.322 10 0 EBAERN Cn1cc(N2CCC[C@@H](NC(=O)[C@H]3CCc4n[nH]nc4C3)C2=O)cn1 ZINC000332767290 377313648 /nfs/dbraw/zinc/31/36/48/377313648.db2.gz FTLKKQINTATPEV-GXFFZTMASA-N 0 0 343.391 -0.045 10 0 EBAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000332833506 377326270 /nfs/dbraw/zinc/32/62/70/377326270.db2.gz USNWIGSLDQLLBO-CRWXNKLISA-N 0 0 337.380 -0.193 10 0 EBAERN Cn1cc([C@H]2[C@@H](C(=O)NC[C@@H]3CN(C)CCO3)CCC(=O)N2C)cn1 ZINC000332845724 377329232 /nfs/dbraw/zinc/32/92/32/377329232.db2.gz ZDBGQKZZDABLNJ-YCPHGPKFSA-N 0 0 349.435 -0.224 10 0 EBAERN Cc1cnn(C[C@H]2CN(CC(=O)NCC(=O)N3CCCC3)CCO2)c1 ZINC000105892257 377456095 /nfs/dbraw/zinc/45/60/95/377456095.db2.gz ZPKVACWFYZRVII-OAHLLOKOSA-N 0 0 349.435 -0.369 10 0 EBAERN Cc1nnnn1CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000364478316 377618079 /nfs/dbraw/zinc/61/80/79/377618079.db2.gz UKURIZHPTKLYFH-OAHLLOKOSA-N 0 0 330.392 -0.001 10 0 EBAERN CCOC(=O)c1ccc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1 ZINC000616582650 378312476 /nfs/dbraw/zinc/31/24/76/378312476.db2.gz FREAPVFREJJKCA-RYMFRWLXSA-N 0 0 327.333 -0.925 10 0 EBAERN Cn1nnnc1SC[C@@H]1CS[C@]2(C)[C@H]([NH3+])C(=O)N2[C@@H]1C(=O)[O-] ZINC000616589908 378375601 /nfs/dbraw/zinc/37/56/01/378375601.db2.gz TWCQEDQHRRJGKO-KNAPAATOSA-N 0 0 344.422 -0.996 10 0 EBAERN CC[C@H](C)NC(=O)CN1CCN(C[C@@H](O)CN2CCCC2=O)CC1 ZINC000111682472 378481920 /nfs/dbraw/zinc/48/19/20/378481920.db2.gz FZJBMYGSZNPVMZ-LSDHHAIUSA-N 0 0 340.468 -0.498 10 0 EBAERN Cn1ccnc1CN1CCN(C(=O)C2CCN(CC(N)=O)CC2)CC1 ZINC000091932771 218089831 /nfs/dbraw/zinc/08/98/31/218089831.db2.gz QBNHAIRTIWDXRF-UHFFFAOYSA-N 0 0 348.451 -0.738 10 0 EBAERN CO[C@H]1[C@@H](NC(C)=O)[C@@H](OCc2ccccc2)O[C@H](CO)[C@H]1O ZINC000106381464 379135238 /nfs/dbraw/zinc/13/52/38/379135238.db2.gz CQYQHQHAWKRHIV-SUJAAXHWSA-N 0 0 325.361 -0.199 10 0 EBAERN O=c1ncc(I)cn1[C@@H]1C[C@H](O)[C@@H](CO)O1 ZINC000006091378 379119348 /nfs/dbraw/zinc/11/93/48/379119348.db2.gz XIJXHOVKJAXCGJ-RNJXMRFFSA-N 0 0 338.101 -0.511 10 0 EBAERN COC(=O)[C@@H]1O[C@@H]2O[C@](C)(OC)O[C@@H]2[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000077302779 379327913 /nfs/dbraw/zinc/32/79/13/379327913.db2.gz NSNLBRRVXINGAI-WKSZEZMPSA-N 0 0 348.304 -0.517 10 0 in-vitro EBAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000270000335 379425421 /nfs/dbraw/zinc/42/54/21/379425421.db2.gz ATEVPTHXVHRSNV-VXGBXAGGSA-N 0 0 334.380 -0.555 10 0 EBAERN CCOc1cc(C=O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000038317398 379751056 /nfs/dbraw/zinc/75/10/56/379751056.db2.gz SWESETWDPGZBCR-UXXRCYHCSA-N 0 0 328.317 -0.924 10 0 EBAERN CN(Cc1cnn(C)c1)C(=O)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000171607221 379794027 /nfs/dbraw/zinc/79/40/27/379794027.db2.gz AGCCPTXTUOADGN-OAHLLOKOSA-N 0 0 332.408 -0.024 10 0 EBAERN Cc1cnn(CCNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)c1 ZINC000172312358 379862772 /nfs/dbraw/zinc/86/27/72/379862772.db2.gz CAAHFOFIVPPXPH-UHFFFAOYSA-N 0 0 340.347 -0.078 10 0 EBAERN COC(=O)C1CCN(S(=O)(=O)N2C[C@H]3OCCN(C)[C@H]3C2)CC1 ZINC000377646909 379821413 /nfs/dbraw/zinc/82/14/13/379821413.db2.gz RLCHDQRVFRIZOC-QWHCGFSZSA-N 0 0 347.437 -0.869 10 0 EBAERN CCc1nc(CN2CCN(C[C@@H](O)CN3CCCC3=O)CC2)no1 ZINC000126490982 379972470 /nfs/dbraw/zinc/97/24/70/379972470.db2.gz LGLIOAXWWWFABI-CYBMUJFWSA-N 0 0 337.424 -0.267 10 0 EBAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCN(C)[C@@H](c2nccn2C)C1 ZINC000278893657 379937703 /nfs/dbraw/zinc/93/77/03/379937703.db2.gz PYQITCKREOBQAJ-NWDGAFQWSA-N 0 0 343.453 -0.485 10 0 EBAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000246504252 379998398 /nfs/dbraw/zinc/99/83/98/379998398.db2.gz BUBZCQYJFMXNMA-WDEREUQCSA-N 0 0 327.410 -0.477 10 0 EBAERN CC1CCN(C(=O)C[C@@H]2O[C@H](CNC(=O)C3CC3)[C@@H](O)[C@H]2O)CC1 ZINC000012603797 380529257 /nfs/dbraw/zinc/52/92/57/380529257.db2.gz ZRIJLSWCIDECBT-LQKXBSAESA-N 0 0 340.420 -0.350 10 0 EBAERN Cn1c2ccc(S(=O)(=O)N3C[C@H](F)C[C@@H]3CO)cc2n(C)c1=O ZINC000372424328 380704440 /nfs/dbraw/zinc/70/44/40/380704440.db2.gz CWHKHXJVQNHWLW-NXEZZACHSA-N 0 0 343.380 -0.030 10 0 EBAERN C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CC(O)(C2CC2)C1 ZINC000373752284 380763241 /nfs/dbraw/zinc/76/32/41/380763241.db2.gz CIFPWFPSVHAAAI-ZDUSSCGKSA-N 0 0 331.420 -0.030 10 0 EBAERN CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000178784702 381073712 /nfs/dbraw/zinc/07/37/12/381073712.db2.gz RTVRUFKPHMXNIM-NEPJUHHUSA-N 0 0 332.470 -0.934 10 0 EBAERN CCc1nc2n(n1)C[C@H](NC(=O)CCC(=O)N1CCOCC1)CC2 ZINC000114866270 381259231 /nfs/dbraw/zinc/25/92/31/381259231.db2.gz GMFKPLMOPGARJP-GFCCVEGCSA-N 0 0 335.408 -0.090 10 0 EBAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000332854966 381269111 /nfs/dbraw/zinc/26/91/11/381269111.db2.gz FLNUXFVNQSETKZ-CHWSQXEVSA-N 0 0 348.407 -0.374 10 0 EBAERN CO[C@]1(C(=O)N2CCC[C@@](O)(C(=O)N3CCCC3)C2)CCOC1 ZINC000329083968 381584172 /nfs/dbraw/zinc/58/41/72/381584172.db2.gz SSMFXZLXMKYGCV-JKSUJKDBSA-N 0 0 326.393 -0.232 10 0 EBAERN Cc1nc2cncc(N3CCN(C(=O)[C@H]4CNC(=O)C4)CC3)n2n1 ZINC000333122507 381890543 /nfs/dbraw/zinc/89/05/43/381890543.db2.gz HIYINULUIVAYBL-LLVKDONJSA-N 0 0 329.364 -0.783 10 0 EBAERN O=C(CN1CC(S(=O)(=O)NC2CCCC2)C1)NC[C@H]1CCCO1 ZINC000333145831 381893597 /nfs/dbraw/zinc/89/35/97/381893597.db2.gz LTMXHWJIJRDSAU-CYBMUJFWSA-N 0 0 345.465 -0.172 10 0 EBAERN COCCN1CCN(CC(=O)N2CCC[C@@H](C(N)=O)C2)C[C@@H]1C ZINC000247441114 285048378 /nfs/dbraw/zinc/04/83/78/285048378.db2.gz ZWQVZMPSFAEJKQ-UONOGXRCSA-N 0 0 326.441 -0.637 10 0 EBAERN CN(C)c1cc(N2C[C@@H]3OC[C@@H](CNS(C)(=O)=O)[C@@H]3C2)ncn1 ZINC000248139232 257663154 /nfs/dbraw/zinc/66/31/54/257663154.db2.gz SRLPUMJBHJRTSH-WOPDTQHZSA-N 0 0 341.437 -0.457 10 0 EBAERN Cc1nc(S(=O)(=O)NC[C@H](O)CN2CCOCC2)sc1C ZINC000328861732 155191134 /nfs/dbraw/zinc/19/11/34/155191134.db2.gz LWNJQZOVCOZGFZ-NSHDSACASA-N 0 0 335.451 -0.269 10 0 EBAERN C[C@H](C(=O)N(C)CC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1)n1cccn1 ZINC000328902512 155194593 /nfs/dbraw/zinc/19/45/93/155194593.db2.gz GRHYWVATWVKVGM-QLFBSQMISA-N 0 0 349.435 -0.166 10 0 EBAERN CO[C@H]1C[C@H](C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)N(C(C)=O)C1 ZINC000328876355 155193873 /nfs/dbraw/zinc/19/38/73/155193873.db2.gz KDDSTJJRZDOYRR-YJNKXOJESA-N 0 0 325.409 -0.446 10 0 EBAERN CN1C(=O)N[C@]2(CCN(C(=O)CN3Cc4ccccc4C3=O)C2)C1=O ZINC000329103759 155206553 /nfs/dbraw/zinc/20/65/53/155206553.db2.gz CHCCYUGYURCKFJ-KRWDZBQOSA-N 0 0 342.355 -0.001 10 0 EBAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCC[C@@H](Cn3cncn3)C2)C1 ZINC000329135348 155208245 /nfs/dbraw/zinc/20/82/45/155208245.db2.gz QNZIJNSBNWUCQS-ZBFHGGJFSA-N 0 0 335.408 -0.110 10 0 EBAERN Cn1c2ncn(CCN3CCc4cncnc4C3)c2c(=O)n(C)c1=O ZINC000329145583 155208258 /nfs/dbraw/zinc/20/82/58/155208258.db2.gz NTKUQGPSBHMWOW-UHFFFAOYSA-N 0 0 341.375 -0.718 10 0 EBAERN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2csnn2)CC1 ZINC000329367911 155222645 /nfs/dbraw/zinc/22/26/45/155222645.db2.gz LCZNFNAGPDNDJR-NSHDSACASA-N 0 0 339.421 -0.457 10 0 EBAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)N3CCOCC3)CCO2)n1 ZINC000329371994 155221864 /nfs/dbraw/zinc/22/18/64/155221864.db2.gz MJAZLPMSDGHAHR-CQSZACIVSA-N 0 0 344.437 -0.222 10 0 EBAERN C[C@]1(O)CCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C1 ZINC000329410132 155224918 /nfs/dbraw/zinc/22/49/18/155224918.db2.gz AJKUMDXUNMDBPJ-WWGRRREGSA-N 0 0 326.393 -0.234 10 0 EBAERN NC(=O)c1cn(C2CN(C(=O)[C@H]3COCCN3CC(F)F)C2)nn1 ZINC000329488670 155227296 /nfs/dbraw/zinc/22/72/96/155227296.db2.gz HEOAJSTYJSLVMY-SNVBAGLBSA-N 0 0 344.322 -0.489 10 0 EBAERN Cn1c(=O)ccn(CC(=O)N2CCC[C@@H](Cn3cncn3)C2)c1=O ZINC000329689761 155235177 /nfs/dbraw/zinc/23/51/77/155235177.db2.gz VTSGREHXJQLSCY-GFCCVEGCSA-N 0 0 332.364 -0.923 10 0 EBAERN O=C(CN1CCCS1(=O)=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000329654850 155235308 /nfs/dbraw/zinc/23/53/08/155235308.db2.gz FNQDJNHSOSYDFR-GFCCVEGCSA-N 0 0 327.410 -0.448 10 0 EBAERN C[C@H](C(=O)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1)N1CCN(C)CC1 ZINC000329691630 155235473 /nfs/dbraw/zinc/23/54/73/155235473.db2.gz ZSGUIBNPYBZPJX-OLZOCXBDSA-N 0 0 348.451 -0.150 10 0 EBAERN CC[C@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H]1N1CCOCC1 ZINC000329745827 155237716 /nfs/dbraw/zinc/23/77/16/155237716.db2.gz RLHSKODTTGTOOH-WCQYABFASA-N 0 0 336.392 -0.331 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCn2ncnc2C1 ZINC000329954333 155247628 /nfs/dbraw/zinc/24/76/28/155247628.db2.gz JXPSLLUJDLRJFL-LLVKDONJSA-N 0 0 327.410 -0.176 10 0 EBAERN C[C@@H]1CN(S(=O)(=O)N2CCc3c(ncn(C)c3=O)C2)C[C@@H](C)O1 ZINC000330118481 155254691 /nfs/dbraw/zinc/25/46/91/155254691.db2.gz YPSGXLPXZGRPDQ-GHMZBOCLSA-N 0 0 342.421 -0.508 10 0 EBAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N[C@H]1CC(=O)N(C)C1 ZINC000330163047 155256026 /nfs/dbraw/zinc/25/60/26/155256026.db2.gz AQZUOLOAGYSRFF-STQMWFEESA-N 0 0 331.438 -0.072 10 0 EBAERN C[C@]1(O)CCN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CC[C@](C)(O)C3)O2)C1 ZINC000330161412 155256840 /nfs/dbraw/zinc/25/68/40/155256840.db2.gz SZNLPKGNSJVNFO-APYUEPQZSA-N 0 0 326.393 -0.499 10 0 EBAERN Cn1cnc2c1c(=O)n(CC(=O)N1CC[C@H]3CCC[C@@H]31)c(=O)n2C ZINC000330230558 155258859 /nfs/dbraw/zinc/25/88/59/155258859.db2.gz DNUXMHPWLRBVPS-MNOVXSKESA-N 0 0 331.376 -0.165 10 0 EBAERN CC[C@@H]1CCN1CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000330279156 155261609 /nfs/dbraw/zinc/26/16/09/155261609.db2.gz QPAOGGJONYORQS-KGLIPLIRSA-N 0 0 329.466 -0.198 10 0 EBAERN O=C([C@H]1CC[C@H](C(=O)N2CCC[C@H]2CO)O1)N1CCC[C@H]1CO ZINC000330312672 155263474 /nfs/dbraw/zinc/26/34/74/155263474.db2.gz OJOPYWSQIZHKQE-IGQOVBAYSA-N 0 0 326.393 -0.499 10 0 EBAERN C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000103284105 154088181 /nfs/dbraw/zinc/08/81/81/154088181.db2.gz RAGXRPISGAZADB-TZMCWYRMSA-N 0 0 336.436 -0.347 10 0 EBAERN Cc1cc(C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)n(C)n1 ZINC000109896949 154089958 /nfs/dbraw/zinc/08/99/58/154089958.db2.gz ZXGDBZZZDYLUQK-CQSZACIVSA-N 0 0 349.435 -0.266 10 0 EBAERN Cn1c(N)c(C(=O)CN2CC[C@H]3OCCC[C@@H]3C2)c(=O)n(C)c1=O ZINC000155421603 154092992 /nfs/dbraw/zinc/09/29/92/154092992.db2.gz JNQMFYMQLUFKMA-ZYHUDNBSSA-N 0 0 336.392 -0.650 10 0 EBAERN CCS(=O)(=O)NCCNC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000172121729 154097612 /nfs/dbraw/zinc/09/76/12/154097612.db2.gz QTQUOSTUMPKIHX-NSHDSACASA-N 0 0 329.426 -0.142 10 0 EBAERN Cc1nnc([C@H]2CN(C(=O)Cn3nc4ccccn4c3=O)CCO2)[nH]1 ZINC000173536854 154101865 /nfs/dbraw/zinc/10/18/65/154101865.db2.gz RPXIGHVNUAMCLK-LLVKDONJSA-N 0 0 343.347 -0.477 10 0 EBAERN C[C@@H](CN1CCOCC1)NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173777374 154102246 /nfs/dbraw/zinc/10/22/46/154102246.db2.gz MZMVRGSXBVMSSR-GJZGRUSLSA-N 0 0 326.441 -0.177 10 0 EBAERN CCN1CCN(CC(=O)N2CCC[C@@H]2Cn2ccnc2C)C(=O)C1=O ZINC000177184497 154114165 /nfs/dbraw/zinc/11/41/65/154114165.db2.gz BZMJNQNZPUAKMT-CQSZACIVSA-N 0 0 347.419 -0.127 10 0 EBAERN CCn1c(N)c(C(=O)CN2CCN3CCCC[C@@H]3C2)c(=O)[nH]c1=O ZINC000177771714 154116655 /nfs/dbraw/zinc/11/66/55/154116655.db2.gz GBISWYOPBKSICQ-LLVKDONJSA-N 0 0 335.408 -0.509 10 0 EBAERN CN(C)c1ccc(NC(=O)C(=O)NC[C@H]2CN3CCN2CC3)cc1 ZINC000178964958 154122874 /nfs/dbraw/zinc/12/28/74/154122874.db2.gz CPVINZPBWURSBD-HNNXBMFYSA-N 0 0 331.420 -0.193 10 0 EBAERN COCc1ccccc1NC(=O)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000178960372 154123482 /nfs/dbraw/zinc/12/34/82/154123482.db2.gz ARUPXHXDSFZLSR-CQSZACIVSA-N 0 0 332.404 -0.113 10 0 EBAERN CCCCn1nccc1NC(=O)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000178966366 154123529 /nfs/dbraw/zinc/12/35/29/154123529.db2.gz WHULHIWNRQXRIW-ZDUSSCGKSA-N 0 0 334.424 -0.262 10 0 EBAERN COCc1cccc(NC(=O)C(=O)NC[C@@H]2CN3CCN2CC3)c1 ZINC000178963511 154123596 /nfs/dbraw/zinc/12/35/96/154123596.db2.gz ZKMMDAUSLJZOGW-OAHLLOKOSA-N 0 0 332.404 -0.113 10 0 EBAERN Cn1cc([C@H]2CNCCN2S(=O)(=O)c2cccc(C(N)=O)c2)cn1 ZINC000181698033 154129609 /nfs/dbraw/zinc/12/96/09/154129609.db2.gz AKYXCFMCAORXHN-CQSZACIVSA-N 0 0 349.416 -0.146 10 0 EBAERN O=C(NC[C@H]1CN2CCN1CC2)C(=O)N1CCc2c1cccc2F ZINC000185763629 154139684 /nfs/dbraw/zinc/13/96/84/154139684.db2.gz FZROCUPRFIZYGN-LBPRGKRZSA-N 0 0 332.379 -0.169 10 0 EBAERN COCC(=O)NC1CN(C(=O)CCn2c(C)c(C)sc2=O)C1 ZINC000185290780 154141169 /nfs/dbraw/zinc/14/11/69/154141169.db2.gz NKZWBGGDZLQBCN-UHFFFAOYSA-N 0 0 327.406 -0.110 10 0 EBAERN CN(C)c1noc(CN2CCN(c3ccc4nncn4n3)CC2)n1 ZINC000185258159 154141518 /nfs/dbraw/zinc/14/15/18/154141518.db2.gz SGPZLPNEWDMXNB-UHFFFAOYSA-N 0 0 329.368 -0.105 10 0 EBAERN COc1cc(NC(=O)C(=O)NC[C@@H]2CN3CCN2CC3)ccc1F ZINC000187482918 154146044 /nfs/dbraw/zinc/14/60/44/154146044.db2.gz SFYHRSYZXOUUCS-GFCCVEGCSA-N 0 0 336.367 -0.111 10 0 EBAERN CC(=O)N1CC(C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)C1 ZINC000188524423 154148385 /nfs/dbraw/zinc/14/83/85/154148385.db2.gz MRAZKARRARWSKK-CYBMUJFWSA-N 0 0 333.392 -0.182 10 0 EBAERN Cn1c2ccc(S(=O)(=O)N3CCCN(C)C(=O)C3)cc2oc1=O ZINC000188222417 154149871 /nfs/dbraw/zinc/14/98/71/154149871.db2.gz IESMRMHYTNZIEV-UHFFFAOYSA-N 0 0 339.373 -0.016 10 0 EBAERN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189463792 154151134 /nfs/dbraw/zinc/15/11/34/154151134.db2.gz WGZDOQLKCLKWTK-UHFFFAOYSA-N 0 0 343.387 -0.081 10 0 EBAERN O=C(Cc1ccc(-n2cnnn2)cc1)N1CC(NC(=O)C2CC2)C1 ZINC000189500352 154152668 /nfs/dbraw/zinc/15/26/68/154152668.db2.gz JOYGTQRWUYRCFO-UHFFFAOYSA-N 0 0 326.360 -0.058 10 0 EBAERN O=C(Cn1[n-]c(=O)ccc1=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000193599354 154160961 /nfs/dbraw/zinc/16/09/61/154160961.db2.gz OWNXNCXGMOQOKD-UHFFFAOYSA-N 0 0 343.387 -0.288 10 0 EBAERN Cn1c(N)c(C(=O)CN2CCN3CCCC[C@H]3C2)c(=O)n(C)c1=O ZINC000246119375 154181727 /nfs/dbraw/zinc/18/17/27/154181727.db2.gz ANAYFGWLEUBPIM-NSHDSACASA-N 0 0 335.408 -0.981 10 0 EBAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCNC(=O)[C@H]2c2ccccc2)C1 ZINC000247053096 154186646 /nfs/dbraw/zinc/18/66/46/154186646.db2.gz LMWORNIOKNAJCF-GDBMZVCRSA-N 0 0 344.415 -0.117 10 0 EBAERN C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000247024116 154187063 /nfs/dbraw/zinc/18/70/63/154187063.db2.gz NATGGNDQOMEVPJ-JABUTEAWSA-N 0 0 330.450 -0.229 10 0 EBAERN CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262390842 154229006 /nfs/dbraw/zinc/22/90/06/154229006.db2.gz XWPTWHSMPWVVJV-PELKAZGASA-N 0 0 331.369 -0.493 10 0 EBAERN CCN(CC)S(=O)(=O)CCNC(=O)[C@@H](NC)c1cnn(C)c1 ZINC000262520403 154234789 /nfs/dbraw/zinc/23/47/89/154234789.db2.gz KQSYFBZXXZCEHH-LBPRGKRZSA-N 0 0 331.442 -0.532 10 0 EBAERN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1COCCN1)CC2 ZINC000262603667 154239596 /nfs/dbraw/zinc/23/95/96/154239596.db2.gz ASZRKYRYDOKPGW-ZDUSSCGKSA-N 0 0 339.417 -0.138 10 0 EBAERN CN(C)c1nccc([C@@H]2CN(C(=O)[C@H]3CC(=O)N(C)C3)CCO2)n1 ZINC000276814890 154708307 /nfs/dbraw/zinc/70/83/07/154708307.db2.gz XBVHMQVBGLTUBO-AAEUAGOBSA-N 0 0 333.392 -0.079 10 0 EBAERN COC[C@@H]1C[C@H](OC)CN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000344869613 156275520 /nfs/dbraw/zinc/27/55/20/156275520.db2.gz INRWRXQWOGTVQA-STQMWFEESA-N 0 0 334.438 -0.080 10 0 EBAERN CCS(=O)(=O)N1CCC[C@H](C(=O)N2C[C@H](OC)C[C@@H]2CO)C1 ZINC000345516031 156339270 /nfs/dbraw/zinc/33/92/70/156339270.db2.gz GTEBHQFGEBRREK-YNEHKIRRSA-N 0 0 334.438 -0.344 10 0 EBAERN CN(C)S(=O)(=O)CCNC(=O)[C@@H]1CCO[C@@H]1c1ccnn1C ZINC000359796740 157343084 /nfs/dbraw/zinc/34/30/84/157343084.db2.gz XXFJFKRGDFMFOM-PWSUYJOCSA-N 0 0 330.410 -0.495 10 0 EBAERN CC(C)NS(=O)(=O)[C@H]1CCN(CCN2CCCS2(=O)=O)C1 ZINC000407950968 157699857 /nfs/dbraw/zinc/69/98/57/157699857.db2.gz SXWISUWTEJCAQT-LBPRGKRZSA-N 0 0 339.483 -0.576 10 0 EBAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)C1 ZINC000408051819 157707591 /nfs/dbraw/zinc/70/75/91/157707591.db2.gz REAAVVUVOKGSPJ-WOSRLPQWSA-N 0 0 327.425 -0.415 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000408085588 157710241 /nfs/dbraw/zinc/71/02/41/157710241.db2.gz AXRUIPRLDKSNEI-RYUDHWBXSA-N 0 0 331.438 -0.086 10 0 EBAERN CCS(=O)(=O)N(C)CC(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181381278 286648045 /nfs/dbraw/zinc/64/80/45/286648045.db2.gz PVEHOYCFPUHVLK-GFCCVEGCSA-N 0 0 329.426 -0.826 10 0 EBAERN CC[C@@H](O)CN1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)CC1 ZINC000329186533 286941706 /nfs/dbraw/zinc/94/17/06/286941706.db2.gz ASRGLXFAGSNMHS-MCIONIFRSA-N 0 0 327.425 -0.463 10 0 EBAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000234602579 419019577 /nfs/dbraw/zinc/01/95/77/419019577.db2.gz GUNVOCMSFIJGEV-GMTAPVOTSA-N 0 0 339.435 -0.223 10 0 EBAERN CC(=O)O[C@H]1[C@H](OC(C)=O)O[C@@H]2CO[C@@H](C)O[C@H]2[C@@H]1OC(C)=O ZINC000096329043 419042689 /nfs/dbraw/zinc/04/26/89/419042689.db2.gz FRXAYUBXOIXSRC-YOVYLDAJSA-N 0 0 332.305 -0.101 10 0 EBAERN O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCO[C@H](CO)C1 ZINC000408002138 419132483 /nfs/dbraw/zinc/13/24/83/419132483.db2.gz LMODZKAKIXYTGG-NSHDSACASA-N 0 0 325.365 -0.539 10 0 EBAERN Cn1cc(CN2CCN(C(=O)CN3CCCC[C@H](O)C3=O)CC2)cn1 ZINC000644351431 419151350 /nfs/dbraw/zinc/15/13/50/419151350.db2.gz FJQIAUMFRFIQON-HNNXBMFYSA-N 0 0 349.435 -0.562 10 0 EBAERN CC[C@@H](O)CN1CCN(C(=O)[C@@]2(O)CCCN(C(C)=O)C2)CC1 ZINC000408050393 419175259 /nfs/dbraw/zinc/17/52/59/419175259.db2.gz JENMIWPIMRWMIG-GDBMZVCRSA-N 0 0 327.425 -0.725 10 0 EBAERN NS(=O)(=O)[C@H]1CCN([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000407950399 419126290 /nfs/dbraw/zinc/12/62/90/419126290.db2.gz DXEFEPJHPDBJGY-DTWKUNHWSA-N 0 0 329.344 -0.098 10 0 EBAERN C[C@@H]1CN(S(=O)(=O)NCc2cnc(N(C)C)n2C)[C@H](C)CO1 ZINC000408235253 419244434 /nfs/dbraw/zinc/24/44/34/419244434.db2.gz JKPUUYALOPMXCZ-GHMZBOCLSA-N 0 0 331.442 -0.070 10 0 EBAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)C1 ZINC000372070129 420736087 /nfs/dbraw/zinc/73/60/87/420736087.db2.gz KNPLAUIRNWFQGP-VXGBXAGGSA-N 0 0 346.453 -0.281 10 0 EBAERN O=C(CCN1C(=O)CCC1=O)N1CCC(Nc2cccnn2)CC1 ZINC000329092427 421221885 /nfs/dbraw/zinc/22/18/85/421221885.db2.gz APHRKSHBSCMVEI-UHFFFAOYSA-N 0 0 331.376 0.419 10 0 EBAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2CCC(=O)N(C)C2)C1 ZINC000372070127 264678798 /nfs/dbraw/zinc/67/87/98/264678798.db2.gz KNPLAUIRNWFQGP-NWDGAFQWSA-N 0 0 346.453 -0.281 10 0 EBAERN CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCCC[C@H]1O ZINC000447755345 265379064 /nfs/dbraw/zinc/37/90/64/265379064.db2.gz CNUOFCRVAWFAMO-WDEREUQCSA-N 0 0 328.456 -0.509 10 0 EBAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000471868262 265488297 /nfs/dbraw/zinc/48/82/97/265488297.db2.gz BDDAIIFDBNZMSY-YNEHKIRRSA-N 0 0 347.437 -0.727 10 0 EBAERN CC(=O)N1CCC[C@](O)(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)C1 ZINC000329162724 278031814 /nfs/dbraw/zinc/03/18/14/278031814.db2.gz FZMOQLMPEQEBIZ-IJEWVQPXSA-N 0 0 325.409 -0.709 10 0 EBAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000333454676 278068120 /nfs/dbraw/zinc/06/81/20/278068120.db2.gz OJKMDUFAIZHAJW-OWCLPIDISA-N 0 0 339.436 -0.319 10 0 EBAERN CC(=O)OC[C@@]1(O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000002583581 278219462 /nfs/dbraw/zinc/21/94/62/278219462.db2.gz RNYYDTIQDTUDOI-XJFOESAGSA-N 0 0 348.304 -0.937 10 0 EBAERN CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H](C)O[C@H]1n1cc(F)c(N)nc1=O ZINC000169439096 278221657 /nfs/dbraw/zinc/22/16/57/278221657.db2.gz NWJBWNIUGNXJGO-WCYANDGGSA-N 0 0 329.284 -0.255 10 0 EBAERN CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H](C)[C@@H]1CO ZINC000408010932 280027194 /nfs/dbraw/zinc/02/71/94/280027194.db2.gz NLYZVMNTORTQQG-QWRGUYRKSA-N 0 0 328.456 -0.652 10 0 EBAERN CN1CCO[C@@H]2CCN(C(=O)CCN3CCCS3(=O)=O)C[C@@H]21 ZINC000328927412 290080040 /nfs/dbraw/zinc/08/00/40/290080040.db2.gz XCIUBDBRUKCIKU-QWHCGFSZSA-N 0 0 331.438 -0.657 10 0 EBAERN CN1CCO[C@H](CNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000372238577 290109278 /nfs/dbraw/zinc/10/92/78/290109278.db2.gz YSQTYCZBVKTEGG-VXGBXAGGSA-N 0 0 334.442 -0.960 10 0 EBAERN CNC(=O)[C@@H]1CCCN1C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000407989988 290559617 /nfs/dbraw/zinc/55/96/17/290559617.db2.gz MLAJUUAJWFGFON-ZDUSSCGKSA-N 0 0 339.440 -0.541 10 0 EBAERN CO[C@H]1C[C@H](C(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)N(C(C)=O)C1 ZINC000329745904 294645005 /nfs/dbraw/zinc/64/50/05/294645005.db2.gz YPSLPSIWGGNZCZ-SLBVQIDZSA-N 0 0 339.436 -0.056 10 0 EBAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC000333438228 297806389 /nfs/dbraw/zinc/80/63/89/297806389.db2.gz VWWWSTMIBCPZQR-JHJVBQTASA-N 0 0 338.408 -0.362 10 0 EBAERN C[C@H](C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1)n1cncn1 ZINC000408051295 298105124 /nfs/dbraw/zinc/10/51/24/298105124.db2.gz HHHCHDSKQDDTFG-UTUOFQBUSA-N 0 0 325.344 -0.363 10 0 EBAERN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000332881813 300380145 /nfs/dbraw/zinc/38/01/45/300380145.db2.gz DBECKTUPZFYZIT-XDQVBPFNSA-N 0 0 345.465 -0.076 10 0 EBAERN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000332882480 300381709 /nfs/dbraw/zinc/38/17/09/300381709.db2.gz MSYHSGBRSWYHFT-DCJFZGGZSA-N 0 0 332.447 -0.010 10 0 EBAERN Cn1cc([C@@H]2[C@H](C(=O)N3CCN(C4CC4)CC3)OCC(=O)N2C)cn1 ZINC000333171614 302931419 /nfs/dbraw/zinc/93/14/19/302931419.db2.gz NWEQMYLDSLZBLT-HZPDHXFCSA-N 0 0 347.419 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COc1ccc(C(=O)Cn2c(CO)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000036075859 213058795 /nfs/dbraw/zinc/05/87/95/213058795.db2.gz BDVHNODQSRKTGP-UHFFFAOYSA-N 0 0 344.327 -0.193 10 0 EBAERN O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000072857112 216318731 /nfs/dbraw/zinc/31/87/31/216318731.db2.gz YXALCXCSAMUBKD-QWHCGFSZSA-N 0 0 335.389 -0.240 10 0 EBAERN Cc1[nH]c(=O)sc1S(=O)(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000038084334 213201329 /nfs/dbraw/zinc/20/13/29/213201329.db2.gz GOSOMBFVCAAAQX-ZETCQYMHSA-N 0 0 326.421 -0.542 10 0 EBAERN COC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[C@H](OC)CN1S(C)(=O)=O ZINC000408451345 291364646 /nfs/dbraw/zinc/36/46/46/291364646.db2.gz ILELQGMDSFINLE-GARJFASQSA-N 0 0 334.394 -0.801 10 0 EBAERN O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CC[C@H](N2CCOCC2)C1 ZINC000178289782 296091657 /nfs/dbraw/zinc/09/16/57/296091657.db2.gz TWTHLHMAEXJNPM-STQMWFEESA-N 0 0 333.392 -0.304 10 0 EBAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCSC[C@H]1C(N)=O ZINC000408335422 291381618 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EBAERN NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc3c2OCC(=O)N3)C1 ZINC000408016596 376281803 /nfs/dbraw/zinc/28/18/03/376281803.db2.gz LBRFIEMITHNLFN-SECBINFHSA-N 0 0 339.373 -0.089 10 0 EBAERN Cc1cc(N2CCC[C@@H](NC(=O)[C@H]3CCNC(=O)C3)C2=O)n(C)n1 ZINC000407981784 376276636 /nfs/dbraw/zinc/27/66/36/376276636.db2.gz VOOZHDVFIPYYGF-NWDGAFQWSA-N 0 0 333.392 -0.134 10 0 EBAERN CCN(CC)S(=O)(=O)CCNS(=O)(=O)N1CCCCC1 ZINC000408100317 376337818 /nfs/dbraw/zinc/33/78/18/376337818.db2.gz VMOIBXAIFYTVBB-UHFFFAOYSA-N 0 0 327.472 -0.022 10 0 EBAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)C1 ZINC000286859648 376340642 /nfs/dbraw/zinc/34/06/42/376340642.db2.gz NKYGGPPARXNFIV-XHDPSFHLSA-N 0 0 325.365 -0.988 10 0 EBAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000408019756 376283988 /nfs/dbraw/zinc/28/39/88/376283988.db2.gz APMGQQKVSWSBEK-RYUDHWBXSA-N 0 0 343.405 -0.219 10 0 EBAERN C[C@@H]1CC(=O)N[C@H](C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)C1 ZINC000408021689 376284080 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C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H]2COCCN2C)CC1 ZINC000408043298 376295855 /nfs/dbraw/zinc/29/58/55/376295855.db2.gz PIXOBWCXGJMLES-CABCVRRESA-N 0 0 338.452 -0.528 10 0 EBAERN CCN(CC)S(=O)(=O)CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408050108 376297812 /nfs/dbraw/zinc/29/78/12/376297812.db2.gz AQSKWPYONBFBGK-MNOVXSKESA-N 0 0 332.426 -0.718 10 0 EBAERN CNS(=O)(=O)NCC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1OC ZINC000408064934 376302667 /nfs/dbraw/zinc/30/26/67/376302667.db2.gz MPROZDJPSSOLRO-TUAOUCFPSA-N 0 0 335.426 -0.917 10 0 EBAERN CNS(=O)(=O)N1CCN(C(=O)c2ccc(N(C)C)cn2)CC1 ZINC000408072746 376303743 /nfs/dbraw/zinc/30/37/43/376303743.db2.gz SHKDDVGZKKJPLD-UHFFFAOYSA-N 0 0 327.410 -0.630 10 0 EBAERN O=S(=O)(c1ccc(N2C[C@@H](O)C[C@@H]2CO)nc1)N1CCCC1 ZINC000408192885 376414075 /nfs/dbraw/zinc/41/40/75/376414075.db2.gz AQLPOCVWRUFBOD-NEPJUHHUSA-N 0 0 327.406 -0.202 10 0 EBAERN CC[C@H]1C[C@@H](C(=O)N2CCCN(S(C)(=O)=O)CC2)CC(=O)N1 ZINC000408198059 376415565 /nfs/dbraw/zinc/41/55/65/376415565.db2.gz PCGLGSYNJJLCPS-NEPJUHHUSA-N 0 0 331.438 -0.215 10 0 EBAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000408116718 376375176 /nfs/dbraw/zinc/37/51/76/376375176.db2.gz ZINZELZWEPOMQE-NSHDSACASA-N 0 0 343.405 -0.218 10 0 EBAERN CC(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000408141317 376380639 /nfs/dbraw/zinc/38/06/39/376380639.db2.gz UITQEWYVFJBWJX-MJBXVCDLSA-N 0 0 347.481 -0.261 10 0 EBAERN COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000408129854 376380871 /nfs/dbraw/zinc/38/08/71/376380871.db2.gz RXHMKKAQCZTEHH-VXGBXAGGSA-N 0 0 348.421 -0.553 10 0 EBAERN CC(=O)OC[C@@H](OC(C)=O)[C@@H]1OC(=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000090760065 376437479 /nfs/dbraw/zinc/43/74/79/376437479.db2.gz DDWMFFZVZXMXCS-MROQNXINSA-N 0 0 346.288 -0.730 10 0 EBAERN NC(=O)[C@H]1COCCN1CC(=O)Nc1ccc(Br)cn1 ZINC000092230881 376449675 /nfs/dbraw/zinc/44/96/75/376449675.db2.gz SRTSPKILTDWUOH-SECBINFHSA-N 0 0 343.181 -0.031 10 0 EBAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@H]2COCCO2)C1 ZINC000408394907 376723615 /nfs/dbraw/zinc/72/36/15/376723615.db2.gz RPKOZJMKBYZTSP-NWDGAFQWSA-N 0 0 335.426 -0.487 10 0 EBAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)NCC(=O)N(C)C)CC1 ZINC000115645434 376686962 /nfs/dbraw/zinc/68/69/62/376686962.db2.gz OTCZZGACYFEGHI-UHFFFAOYSA-N 0 0 336.440 -0.048 10 0 EBAERN CO[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C1 ZINC000408345722 376712968 /nfs/dbraw/zinc/71/29/68/376712968.db2.gz MLUJSEQXGNUKFR-LLVKDONJSA-N 0 0 343.405 -0.104 10 0 EBAERN C[C@H](NS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C)C(=O)N1CCOCC1 ZINC000408238825 376757529 /nfs/dbraw/zinc/75/75/29/376757529.db2.gz UMVQPEZFDWJWEY-TUAOUCFPSA-N 0 0 335.426 -0.823 10 0 EBAERN CN1CCO[C@H]2CN(S(=O)(=O)CCCN3CCOCC3)C[C@H]21 ZINC000408245618 376773971 /nfs/dbraw/zinc/77/39/71/376773971.db2.gz WWECSWYXUYKNNI-KGLIPLIRSA-N 0 0 333.454 -0.947 10 0 EBAERN CNC(=O)C1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)C1 ZINC000408268452 376810651 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CC(=O)N1CCN(C(=O)CNc2cc(-n3cnnn3)ccc2F)CC1 ZINC000066469445 381598407 /nfs/dbraw/zinc/59/84/07/381598407.db2.gz MVZQZWHQQNNZRB-UHFFFAOYSA-N 0 0 347.354 -0.096 10 0 EBAERN Cc1cc(N2CC[C@@H](N3CCn4c(nn(C)c4=O)C3)C2=O)n(C)n1 ZINC000090656475 381866822 /nfs/dbraw/zinc/86/68/22/381866822.db2.gz JFDYWADVOJVQJW-LLVKDONJSA-N 0 0 331.380 -0.755 10 0 EBAERN C[C@H]1CN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1N1CCOCC1 ZINC000333492411 381927716 /nfs/dbraw/zinc/92/77/16/381927716.db2.gz URFGAKBBILHPLA-XQLPTFJDSA-N 0 0 347.481 -0.007 10 0 EBAERN COCC(=O)N1CCN([C@H]2CCN(Cc3cccnc3)C2=O)CC1 ZINC000169792281 382134887 /nfs/dbraw/zinc/13/48/87/382134887.db2.gz JORRTRYDSPELJK-HNNXBMFYSA-N 0 0 332.404 -0.027 10 0 EBAERN CCOC(=O)CNS(=O)(=O)c1cc2n(c1)CCCN(C)C2=O ZINC000065258741 382162116 /nfs/dbraw/zinc/16/21/16/382162116.db2.gz WWYRYLIJLAURDA-UHFFFAOYSA-N 0 0 329.378 -0.195 10 0 EBAERN COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CN1CCC(C)CC1 ZINC000408229166 291919637 /nfs/dbraw/zinc/91/96/37/291919637.db2.gz 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ZINC000302569219 155173094 /nfs/dbraw/zinc/17/30/94/155173094.db2.gz OSOLQUCTCDTWQZ-MRXNPFEDSA-N 0 0 345.407 -0.192 10 0 EBAERN Cc1nnc([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]1 ZINC000328736484 155188589 /nfs/dbraw/zinc/18/85/89/155188589.db2.gz LEWUFTGQAFJZMX-GFCCVEGCSA-N 0 0 341.437 -0.103 10 0 EBAERN Cn1nccc1[C@H]1[C@@H](C(=O)N2CC(n3ccnn3)C2)CC(=O)N1C ZINC000328968207 155198830 /nfs/dbraw/zinc/19/88/30/155198830.db2.gz NQJPEFNSYKZDLR-SMDDNHRTSA-N 0 0 329.364 -0.386 10 0 EBAERN CN(CC(=O)N1CCOCC1)C(=O)[C@@H]1CCO[C@H]1c1nccn1C ZINC000328990642 155200566 /nfs/dbraw/zinc/20/05/66/155200566.db2.gz SDPBDNXETVAHCL-TZMCWYRMSA-N 0 0 336.392 -0.185 10 0 EBAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCO[C@@H](c3cnn(C)c3)C2)C1 ZINC000329134971 155208475 /nfs/dbraw/zinc/20/84/75/155208475.db2.gz QIRCHBPMGRENJW-GDBMZVCRSA-N 0 0 336.392 -0.307 10 0 EBAERN CO[C@@H]1CN(S(=O)(=O)CC2CCS(=O)(=O)CC2)C[C@H]1OC ZINC000329241039 155212896 /nfs/dbraw/zinc/21/28/96/155212896.db2.gz RKZKARORBJVPDS-VXGBXAGGSA-N 0 0 341.451 -0.513 10 0 EBAERN C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000329257061 155215213 /nfs/dbraw/zinc/21/52/13/155215213.db2.gz XYJNHGDVCMKQAP-TUAOUCFPSA-N 0 0 325.365 -0.420 10 0 EBAERN O=C1NC[C@@H]2CN(CCc3ccc4c(c3)OCCO4)CCN2C1=O ZINC000329303603 155217633 /nfs/dbraw/zinc/21/76/33/155217633.db2.gz NYOVNIWGTNDTPF-CYBMUJFWSA-N 0 0 331.372 -0.357 10 0 EBAERN C[C@@H]1CN(C)CCN1C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000329303119 155217863 /nfs/dbraw/zinc/21/78/63/155217863.db2.gz WSHICUTUDHTAGO-FRRDWIJNSA-N 0 0 343.449 -0.816 10 0 EBAERN Cc1cc(C)n2nc(CC(=O)N3CCN4CCOC[C@H]4C3)nc2n1 ZINC000329443170 155227651 /nfs/dbraw/zinc/22/76/51/155227651.db2.gz NJJXNILZQNEZAY-CYBMUJFWSA-N 0 0 330.392 -0.173 10 0 EBAERN O=C([C@@H]1OC[C@H]2COCC[C@H]21)N(CCO)CCN1CCOCC1 ZINC000329568456 155231681 /nfs/dbraw/zinc/23/16/81/155231681.db2.gz LNLDNDUNCQQHOH-RBSFLKMASA-N 0 0 328.409 -0.809 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN2C(=O)N=NC2C1 ZINC000329626847 155233865 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O=C(CN1C[C@@H](O)C[C@@H]1CO)NCCc1cnn(-c2ccccc2)c1 ZINC000185177154 154140086 /nfs/dbraw/zinc/14/00/86/154140086.db2.gz KVVKUNOEUUGQBW-SJORKVTESA-N 0 0 344.415 -0.042 10 0 EBAERN Cc1cc(N2CCN([C@H](C)C(=O)N(C)CC(=O)NC3CC3)CC2)n[nH]1 ZINC000187222382 154145896 /nfs/dbraw/zinc/14/58/96/154145896.db2.gz TWINUTPZKUZJAS-CYBMUJFWSA-N 0 0 348.451 -0.034 10 0 EBAERN CN1CCCN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CC1=O ZINC000188169118 154148281 /nfs/dbraw/zinc/14/82/81/154148281.db2.gz GVWVLYJQBNXENL-UHFFFAOYSA-N 0 0 344.371 -0.229 10 0 EBAERN C[C@@H]1C(=O)NCCCN1C(=O)CCn1nnc2ccccc2c1=O ZINC000188954870 154152756 /nfs/dbraw/zinc/15/27/56/154152756.db2.gz SOQAFFDFZFZDMA-LLVKDONJSA-N 0 0 329.360 -0.081 10 0 EBAERN CN1CCCN(C(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CC1=O ZINC000190632377 154155525 /nfs/dbraw/zinc/15/55/25/154155525.db2.gz XXRSKDSUCAIXSR-UHFFFAOYSA-N 0 0 344.371 -0.229 10 0 EBAERN O=C(N[C@H]1CCc2ncnn2C1)c1cc(N2CCNC(=O)C2)ccn1 ZINC000191600879 154156559 /nfs/dbraw/zinc/15/65/59/154156559.db2.gz 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COCC(=O)N1CCN(c2nccc(N[C@H]3CCCOC3)n2)CC1 ZINC000435352735 421254700 /nfs/dbraw/zinc/25/47/00/421254700.db2.gz HBIZBUUEBFATQR-ZDUSSCGKSA-N 0 0 335.408 0.363 10 0 EBAERN CNC(=O)[C@H](NC(=O)CCn1c2ccccc2c(=O)[nH]c1=O)C(C)C ZINC000179127237 264594702 /nfs/dbraw/zinc/59/47/02/264594702.db2.gz KWGVINAFJIFDBF-CQSZACIVSA-N 0 0 346.387 -0.033 10 0 EBAERN CC(=O)N1CCN(CCNS(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000408234782 264688958 /nfs/dbraw/zinc/68/89/58/264688958.db2.gz FTXMNGPCYBASFM-QWHCGFSZSA-N 0 0 348.469 -0.906 10 0 EBAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC000357205054 275474838 /nfs/dbraw/zinc/47/48/38/275474838.db2.gz KUUNKFLJUFTQAV-DDHJSBNISA-N 0 0 341.452 -0.028 10 0 EBAERN CC(=O)O[C@@H]1[C@H](C)O[C@H](N2C[C@H](F)[C@@H](N)NC2=O)[C@H]1OC(C)=O ZINC000504399436 277093749 /nfs/dbraw/zinc/09/37/49/277093749.db2.gz LHRMBNYAJOQOEV-OEMICCBRSA-N 0 0 333.316 -0.757 10 0 EBAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000330293577 278068639 /nfs/dbraw/zinc/06/86/39/278068639.db2.gz HXLIBMHAGKMODT-FAAHXZRKSA-N 0 0 325.409 -0.853 10 0 EBAERN C[C@@H](O)CN1CCN(C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)CC1 ZINC000369574210 278399142 /nfs/dbraw/zinc/39/91/42/278399142.db2.gz CDHAOVROHQZELC-TYNCELHUSA-N 0 0 327.450 -0.035 10 0 EBAERN C[C@@H](O)CN1CCN(C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)CC1 ZINC000369574211 278399290 /nfs/dbraw/zinc/39/92/90/278399290.db2.gz CDHAOVROHQZELC-XUJVJEKNSA-N 0 0 327.450 -0.035 10 0 EBAERN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000368560593 278535254 /nfs/dbraw/zinc/53/52/54/278535254.db2.gz DGSOSKGLFLOVCF-CHWSQXEVSA-N 0 0 347.481 -0.117 10 0 EBAERN CC[C@H](O)CN1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)CC1 ZINC000329186535 288108902 /nfs/dbraw/zinc/10/89/02/288108902.db2.gz ASRGLXFAGSNMHS-MJBXVCDLSA-N 0 0 327.425 -0.463 10 0 EBAERN O=C1[C@H]2CN(Cc3cccc(F)c3)CCN2C(=O)[C@@H]2C[C@@H](O)CN12 ZINC000014754756 280328022 /nfs/dbraw/zinc/32/80/22/280328022.db2.gz GEWFBYDFUDFNHY-QLFBSQMISA-N 0 0 333.363 -0.186 10 0 EBAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000076362274 288373890 /nfs/dbraw/zinc/37/38/90/288373890.db2.gz RDDDXFVMEGPFQL-NXEZZACHSA-N 0 0 332.360 -0.118 10 0 EBAERN CCn1nc(C)c(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(N)=O)c1C ZINC000284888915 288755407 /nfs/dbraw/zinc/75/54/07/288755407.db2.gz ZWARGMZMUZSBTL-MNOVXSKESA-N 0 0 330.410 -0.217 10 0 EBAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](S(N)(=O)=O)C2)[C@@H](C)CO1 ZINC000408146830 297048337 /nfs/dbraw/zinc/04/83/37/297048337.db2.gz VSUCIXSHTBJGFU-HBNTYKKESA-N 0 0 341.455 -0.907 10 0 EBAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000355505257 294038954 /nfs/dbraw/zinc/03/89/54/294038954.db2.gz GIVWEJWFHKPGTI-MNOVXSKESA-N 0 0 329.378 -0.610 10 0 EBAERN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000332882484 300381693 /nfs/dbraw/zinc/38/16/93/300381693.db2.gz MSYHSGBRSWYHFT-WTBMIXGQSA-N 0 0 332.447 -0.010 10 0 EBAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C(=O)NCC(=O)N(C)C ZINC000189068709 302756743 /nfs/dbraw/zinc/75/67/43/302756743.db2.gz VKNMPPCTDMAZTG-LBPRGKRZSA-N 0 0 335.408 -0.095 10 0 EBAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)C1 ZINC000408056914 303337794 /nfs/dbraw/zinc/33/77/94/303337794.db2.gz NIJRIGDTEPFMPH-LWINAJNOSA-N 0 0 337.298 -0.718 10 0 EBAERN CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112653865 522283303 /nfs/dbraw/zinc/28/33/03/522283303.db2.gz SFVMUOUFYHLLRG-NSHDSACASA-N 0 0 335.389 -0.069 10 0 EBAERN COCc1nc2n(n1)C[C@H](NC(=O)Cn1nnnc1C(C)C)CC2 ZINC000135170712 523227873 /nfs/dbraw/zinc/22/78/73/523227873.db2.gz JKRLCABGTGVNOB-SNVBAGLBSA-N 0 0 334.384 -0.334 10 0 EBAERN COCCCNC(=O)[C@H](C)N1CCN(Cc2nnc(C)n2C)CC1 ZINC000103493504 523357978 /nfs/dbraw/zinc/35/79/78/523357978.db2.gz NWNIVPICFUOYKS-ZDUSSCGKSA-N 0 0 338.456 -0.218 10 0 EBAERN Cc1cnn(Cc2cc(C(=O)NC[C@@H](O)CN3CCOCC3)no2)c1 ZINC000132557638 545754040 /nfs/dbraw/zinc/75/40/40/545754040.db2.gz OKPFYJURKDUUNO-CYBMUJFWSA-N 0 0 349.391 -0.349 10 0 EBAERN C[C@H]1OCC[C@@H]1NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000332765555 545845881 /nfs/dbraw/zinc/84/58/81/545845881.db2.gz OMPFDADKARNQOI-KGLIPLIRSA-N 0 0 340.424 -0.650 10 0 EBAERN Cc1nc(S(=O)(=O)NCC(=O)N[C@@H](C)[C@H]2CCCO2)cn1C ZINC000332805085 545847121 /nfs/dbraw/zinc/84/71/21/545847121.db2.gz OEMQCRHMGBIRIP-GXSJLCMTSA-N 0 0 330.410 -0.309 10 0 EBAERN CN1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)N2Cc2ccccc2)CC1=O ZINC000888094903 582605096 /nfs/dbraw/zinc/60/50/96/582605096.db2.gz GAFUIKJFTWTRLB-UONOGXRCSA-N 0 0 330.388 -0.237 10 0 EBAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(S(=O)(=O)c3cccnc3)C2)C1 ZINC000888097989 582605358 /nfs/dbraw/zinc/60/53/58/582605358.db2.gz WSTRWDXXAGORRU-SNVBAGLBSA-N 0 0 338.389 -0.951 10 0 EBAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)C3CCC(OC)CC3)C2)C1 ZINC000888098832 582605671 /nfs/dbraw/zinc/60/56/71/582605671.db2.gz WGYBDYNWYWWDIC-MBHSVXNSSA-N 0 0 337.420 -0.003 10 0 EBAERN CNC(=O)[C@H]1CC(=O)N(C2CN(c3c(C)c(C)nc4ncnn43)C2)C1 ZINC000888099397 582605774 /nfs/dbraw/zinc/60/57/74/582605774.db2.gz XMLKFWYVZHNGPO-NSHDSACASA-N 0 0 343.391 -0.476 10 0 EBAERN CC(C)OCCS(=O)(=O)N1CCC[C@](O)(Cc2nncn2C)C1 ZINC000886027294 584655573 /nfs/dbraw/zinc/65/55/73/584655573.db2.gz RXMRIUQLTLTJSA-AWEZNQCLSA-N 0 0 346.453 -0.061 10 0 EBAERN CCN1C(=O)CO[C@@H](CNC(=O)Cn2cccn2)[C@@H]1c1nccn1C ZINC000886027100 584655604 /nfs/dbraw/zinc/65/56/04/584655604.db2.gz FLCOIOGLUJWMPO-SWLSCSKDSA-N 0 0 346.391 -0.279 10 0 EBAERN Cn1ccnc1[C@@H]1[C@@H](C(=O)N2CCNC(=O)C2)CCC(=O)N1C1CC1 ZINC000886091287 584655696 /nfs/dbraw/zinc/65/56/96/584655696.db2.gz CIIYHMVGCFVXET-WFASDCNBSA-N 0 0 345.403 -0.179 10 0 EBAERN O=C([O-])[C@@]1([NH+]2CCN(C(=O)CCc3ccncn3)CC2)CCOC1 ZINC000886078179 584655926 /nfs/dbraw/zinc/65/59/26/584655926.db2.gz TWIUXQIJPKLSTG-MRXNPFEDSA-N 0 0 334.376 -0.203 10 0 EBAERN Cn1c2ccc(S(=O)(=O)NC[C@H]3CN(C)CCO3)cc2oc1=O ZINC000074773710 584667333 /nfs/dbraw/zinc/66/73/33/584667333.db2.gz RCAOUYKVFHSVPG-JTQLQIEISA-N 0 0 341.389 -0.260 10 0 EBAERN C[C@H]1COC[C@H](C)N1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000076362269 584668067 /nfs/dbraw/zinc/66/80/67/584668067.db2.gz RDDDXFVMEGPFQL-UWVGGRQHSA-N 0 0 332.360 -0.118 10 0 EBAERN CCn1c(=O)[nH]nc1C1CCN(C(=O)CN(C)CCOC)CC1 ZINC000067642218 649965262 /nfs/dbraw/zinc/96/52/62/649965262.db2.gz KODABZIJMADDJY-UHFFFAOYSA-N 0 0 325.413 -0.125 10 0 EBAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C)CC1 ZINC000192955495 649981725 /nfs/dbraw/zinc/98/17/25/649981725.db2.gz VKZVTGKLVIROKZ-NSHDSACASA-N 0 0 336.417 -0.112 10 0 EBAERN CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1ccc(C)c(C)c1 ZINC000247920476 649983968 /nfs/dbraw/zinc/98/39/68/649983968.db2.gz GYWQOXBLTPBTIU-YIDVYQOGSA-N 0 0 325.361 -0.374 10 0 EBAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000255143219 649984555 /nfs/dbraw/zinc/98/45/55/649984555.db2.gz KUMKZHWFTBHVGC-NQBHXWOUSA-N 0 0 335.408 -0.211 10 0 EBAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2cnnn2)C1 ZINC000702806450 650035837 /nfs/dbraw/zinc/03/58/37/650035837.db2.gz MAYNVXYGZKOWLM-ZJUUUORDSA-N 0 0 326.357 -0.983 10 0 EBAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC000702811653 650035878 /nfs/dbraw/zinc/03/58/78/650035878.db2.gz GJKMBUQKZKUEAT-SRVKXCTJSA-N 0 0 341.408 -0.143 10 0 EBAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNS(=O)(=O)NC2CC2)C1 ZINC000702841772 650035881 /nfs/dbraw/zinc/03/58/81/650035881.db2.gz JZYFWXBLPNQXGW-KOLCDFICSA-N 0 0 335.426 -0.199 10 0 EBAERN CCO[C@H]1C[C@@H](NC(=O)CN2CCNC(=O)C2)C12CCOCC2 ZINC000907443798 650083821 /nfs/dbraw/zinc/08/38/21/650083821.db2.gz HOTOVAPAWPXTSE-OLZOCXBDSA-N 0 0 325.409 -0.491 10 0 EBAERN CNC(=O)NCCNC(=O)[C@@H]1[C@@H](C)OCC(=O)N1Cc1ccccc1 ZINC000910892737 650136493 /nfs/dbraw/zinc/13/64/93/650136493.db2.gz CDVKKTYPCGDIEF-DOMZBBRYSA-N 0 0 348.403 -0.152 10 0 EBAERN C[C@@H]1NC(=O)[C@H](C)N(C(=O)C[C@H]2CS(=O)(=O)CCN2C)[C@H]1C ZINC000911810747 650196893 /nfs/dbraw/zinc/19/68/93/650196893.db2.gz ZROSLKAJHMWQCB-BJDJZHNGSA-N 0 0 331.438 -0.771 10 0 EBAERN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCOC[C@@H]1CO ZINC000912421787 650204980 /nfs/dbraw/zinc/20/49/80/650204980.db2.gz LRYJBHXQRADZFC-ZJUUUORDSA-N 0 0 334.419 -0.365 10 0 EBAERN Cn1cc(N2CCN(CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)CC2=O)cn1 ZINC000246355406 719409181 /nfs/dbraw/zinc/40/91/81/719409181.db2.gz MNWNGXXVYBKDFD-ZIAGYGMSSA-N 0 0 343.387 -0.023 10 0 EBAERN CC(=O)N[C@H]1CCCN(CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)C1 ZINC000245431350 719409304 /nfs/dbraw/zinc/40/93/04/719409304.db2.gz NYYQJWJCQFQADM-CABCVRRESA-N 0 0 347.419 -0.104 10 0 EBAERN NC(=O)Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2nccnc21 ZINC000064887562 214812466 /nfs/dbraw/zinc/81/24/66/214812466.db2.gz LEYKRGIMHWIZKP-UHFFFAOYSA-N 0 0 329.291 -0.374 10 0 EBAERN CC(=O)OCCCN(C(C)=O)c1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000003129399 209967539 /nfs/dbraw/zinc/96/75/39/209967539.db2.gz AWJQWOSNBXVKTA-UHFFFAOYSA-N 0 0 337.336 -0.734 10 0 EBAERN CSCCNC(=O)Cn1nnnc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000067974951 215263764 /nfs/dbraw/zinc/26/37/64/215263764.db2.gz FILAZKKWJVWZNH-PHIMTYICSA-N 0 0 328.442 -0.239 10 0 EBAERN CCCN1CCCN(C(=O)[C@]2(O)CCCN(C(C)=O)C2)CC1=O ZINC000408057259 283329482 /nfs/dbraw/zinc/32/94/82/283329482.db2.gz RNONLWOWBRFSKW-INIZCTEOSA-N 0 0 325.409 -0.169 10 0 EBAERN Nc1ncnc2c1c(-c1cn[nH]c1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000072107109 216009265 /nfs/dbraw/zinc/00/92/65/216009265.db2.gz JEAVSNIQKJXJER-IDTAVKCVSA-N 0 0 332.320 -0.985 10 0 EBAERN COC(=O)Cc1nn(-c2nc(C)cc(C)n2)c2c1nnc1ncnn12 ZINC000072461550 216244399 /nfs/dbraw/zinc/24/43/99/216244399.db2.gz UKGCIEQXICMCEN-UHFFFAOYSA-N 0 0 339.319 -0.019 10 0 EBAERN C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000370898610 299334714 /nfs/dbraw/zinc/33/47/14/299334714.db2.gz MWHHNIQTIZSOCJ-QWRGUYRKSA-N 0 0 349.478 -0.510 10 0 EBAERN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(N)=O ZINC000408030880 291334498 /nfs/dbraw/zinc/33/44/98/291334498.db2.gz OGJZRCBKQGUKRZ-WYUUTHIRSA-N 0 0 348.421 -0.377 10 0 EBAERN COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N1CC(N2CCNC2=O)C1 ZINC000408459177 291341742 /nfs/dbraw/zinc/34/17/42/291341742.db2.gz HNJFGAFCIWQDEK-VXGBXAGGSA-N 0 0 345.421 -0.243 10 0 EBAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000300178459 291384900 /nfs/dbraw/zinc/38/49/00/291384900.db2.gz YXVLCIOEJHNPEM-JFGNBEQYSA-N 0 0 339.435 -0.175 10 0 EBAERN COC(=O)[C@@H]1O[C@@H](Oc2ccc(NC(C)=O)cc2)[C@@H](O)[C@H](O)[C@H]1O ZINC000253611565 244037499 /nfs/dbraw/zinc/03/74/99/244037499.db2.gz PBCDFJAIFOUUBQ-ZHZXCYKASA-N 0 0 341.316 -0.996 10 0 EBAERN [O-][n+]1onc2c1CCC1=[N+]([O-])[C@@]3(N4CCOCC4)CCC[C@@H]3[C@@]21O ZINC000019327278 212016090 /nfs/dbraw/zinc/01/60/90/212016090.db2.gz BCHAWVBICZFBNU-CQDKDKBSSA-N 0 0 336.348 -0.765 10 0 EBAERN O=c1ccn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(C2SCCCS2)n1 ZINC000005641742 375905894 /nfs/dbraw/zinc/90/58/94/375905894.db2.gz AFDQPGWEHYBTAF-CKIYVRPFSA-N 0 0 346.430 -0.277 10 0 EBAERN Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12 ZINC000005534432 375906764 /nfs/dbraw/zinc/90/67/64/375906764.db2.gz YUDPTGPSBJVHCN-PJGLDBICSA-N 0 0 338.312 -0.720 10 0 in-vitro EBAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000407972289 376027220 /nfs/dbraw/zinc/02/72/20/376027220.db2.gz LMYWOGWVZKGNCN-QWHCGFSZSA-N 0 0 347.437 -0.141 10 0 EBAERN CN(C(=O)N1CCN(CC(C)(C)O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000408016957 376281404 /nfs/dbraw/zinc/28/14/04/376281404.db2.gz KEHIFXGIGRHMMO-LBPRGKRZSA-N 0 0 333.454 -0.386 10 0 EBAERN CC(C)NS(=O)(=O)CCNC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000408015554 376281692 /nfs/dbraw/zinc/28/16/92/376281692.db2.gz DDASIKRWOOYQEH-CHWSQXEVSA-N 0 0 348.469 -0.571 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000407970139 376273931 /nfs/dbraw/zinc/27/39/31/376273931.db2.gz KGXLBRJCTPDUNO-RYUDHWBXSA-N 0 0 331.438 -0.120 10 0 EBAERN NC(=O)N[C@@H]1CCN(C(=O)[C@H]2CSCN2C(=O)C2CCC2)C1 ZINC000408026475 376286505 /nfs/dbraw/zinc/28/65/05/376286505.db2.gz YHJKAKYUVUQXOC-GHMZBOCLSA-N 0 0 326.422 -0.043 10 0 EBAERN CN1CC[C@H]2OCCN(S(=O)(=O)CCCS(C)(=O)=O)[C@H]2C1 ZINC000408028911 376287067 /nfs/dbraw/zinc/28/70/67/376287067.db2.gz RGZMDTFBPHGIQZ-NWDGAFQWSA-N 0 0 340.467 -0.844 10 0 EBAERN Cc1noc([C@H]2CN(S(=O)(=O)[C@H](C)C(=O)N(C)C)CCN2C)n1 ZINC000408026499 376287126 /nfs/dbraw/zinc/28/71/26/376287126.db2.gz HOEZKMMMNJXSRE-MWLCHTKSSA-N 0 0 345.425 -0.527 10 0 EBAERN CCN(CC)S(=O)(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408026809 376287201 /nfs/dbraw/zinc/28/72/01/376287201.db2.gz JAFHEGZVBVRUSZ-NEPJUHHUSA-N 0 0 337.417 -0.156 10 0 EBAERN CO[C@H]1C[C@@H](C(N)=O)N(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000408034715 376291953 /nfs/dbraw/zinc/29/19/53/376291953.db2.gz GWCFGFOHDWXBKX-RFQIPJPRSA-N 0 0 325.409 -0.269 10 0 EBAERN C[C@H]1OCCN(CC(=O)NC(=O)NC2CCCCC2)[C@@H]1C(N)=O ZINC000408047894 376293991 /nfs/dbraw/zinc/29/39/91/376293991.db2.gz TZEZOHVHTLIJSQ-MFKMUULPSA-N 0 0 326.397 -0.281 10 0 EBAERN CC(=O)N1CC[C@H](C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)C1 ZINC000408049038 376294424 /nfs/dbraw/zinc/29/44/24/376294424.db2.gz UHCYKZXYTHFUMC-MJBXVCDLSA-N 0 0 341.383 -0.347 10 0 EBAERN COC(=O)C[C@@H]1CN(C(=O)[C@@]2(O)CCCN(C(C)=O)C2)CCO1 ZINC000408052090 376297432 /nfs/dbraw/zinc/29/74/32/376297432.db2.gz KLFKHINXGHSUGH-IUODEOHRSA-N 0 0 328.365 -0.850 10 0 EBAERN O=C(Cn1ccc(=O)[nH]c1=O)N1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408055154 376298979 /nfs/dbraw/zinc/29/89/79/376298979.db2.gz WILKMZKIRYNUDT-UPJWGTAASA-N 0 0 337.376 -0.273 10 0 EBAERN COCCN1CCCN(C(=O)[C@]2(O)CCCN(C(C)=O)C2)CC1=O ZINC000408056987 376299343 /nfs/dbraw/zinc/29/93/43/376299343.db2.gz OGVHXNXVLYQIHF-INIZCTEOSA-N 0 0 341.408 -0.933 10 0 EBAERN CCS(=O)(=O)N(C)CC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000408053970 376299780 /nfs/dbraw/zinc/29/97/80/376299780.db2.gz XQCVNSIAWWTOAC-JHJVBQTASA-N 0 0 334.438 -0.344 10 0 EBAERN CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408065468 376302994 /nfs/dbraw/zinc/30/29/94/376302994.db2.gz OPHARRGMQDSBAO-OUAUKWLOSA-N 0 0 332.426 -0.815 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CCCCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112654099 381256489 /nfs/dbraw/zinc/25/64/89/381256489.db2.gz UQJYQSKGPVKYAP-WDEREUQCSA-N 0 0 329.426 -0.183 10 0 EBAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cn1nc3ccccn3c1=O)CC2 ZINC000114867732 381259464 /nfs/dbraw/zinc/25/94/64/381259464.db2.gz NBDDRRCCXKLXOC-NSHDSACASA-N 0 0 341.375 -0.219 10 0 EBAERN CCn1c(N)c(C(=O)CN2CC[C@@H](c3cnn(C)c3)C2)c(=O)[nH]c1=O ZINC000116314918 381259479 /nfs/dbraw/zinc/25/94/79/381259479.db2.gz VKFCVUQHQSQBGK-SNVBAGLBSA-N 0 0 346.391 -0.456 10 0 EBAERN O=C(Cn1nc2ccccn2c1=O)N1CCC(n2cncn2)CC1 ZINC000120402608 381263931 /nfs/dbraw/zinc/26/39/31/381263931.db2.gz UJHYPEFYPFFVEQ-UHFFFAOYSA-N 0 0 327.348 -0.049 10 0 EBAERN C[C@@H](C(=O)N[C@H]1CCc2ncnn2C1)N1C(=O)NC2(CCCC2)C1=O ZINC000332820988 381265104 /nfs/dbraw/zinc/26/51/04/381265104.db2.gz AGRHCXMSRKWGMT-QWRGUYRKSA-N 0 0 346.391 -0.038 10 0 EBAERN O=[N+]([O-])Sc1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 ZINC000584651205 381233982 /nfs/dbraw/zinc/23/39/82/381233982.db2.gz AUXRKFCJUZBKKF-IIRVCBMXSA-N 0 0 333.318 -0.851 10 0 EBAERN Cn1nccc1N1CCC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC000332927727 381271429 /nfs/dbraw/zinc/27/14/29/381271429.db2.gz KVTNDRLXUYTBAW-NWDGAFQWSA-N 0 0 326.422 -0.060 10 0 EBAERN CC(=O)N1CCOC[C@H]1C(=O)NCCn1c2ccccc2[nH]c1=O ZINC000133956978 381318636 /nfs/dbraw/zinc/31/86/36/381318636.db2.gz IQWCDNASPXWTJS-AWEZNQCLSA-N 0 0 332.360 -0.307 10 0 EBAERN Cn1c(N)c(C(=O)CN2CC[C@H]3OCCC[C@H]3C2)c(=O)n(C)c1=O ZINC000246612912 381608018 /nfs/dbraw/zinc/60/80/18/381608018.db2.gz JNQMFYMQLUFKMA-CMPLNLGQSA-N 0 0 336.392 -0.650 10 0 EBAERN CO[C@H]1C[C@H](C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)N(C(C)=O)C1 ZINC000329902983 381697834 /nfs/dbraw/zinc/69/78/34/381697834.db2.gz PVCLNBQDXQKKEM-SLBVQIDZSA-N 0 0 339.436 -0.199 10 0 EBAERN CO[C@H]1C[C@H](C(=O)Nc2cccn(C)c2=O)N(S(C)(=O)=O)C1 ZINC000333257853 381901659 /nfs/dbraw/zinc/90/16/59/381901659.db2.gz FQJYTBNPQJEUIB-GXSJLCMTSA-N 0 0 329.378 -0.627 10 0 EBAERN COCC(=O)N1CCN([C@@H]2CCN(Cc3cccnc3)C2=O)CC1 ZINC000169792279 382134553 /nfs/dbraw/zinc/13/45/53/382134553.db2.gz JORRTRYDSPELJK-OAHLLOKOSA-N 0 0 332.404 -0.027 10 0 EBAERN CN(SN(C)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000005674935 210514214 /nfs/dbraw/zinc/51/42/14/210514214.db2.gz XBGGCVMNUDWOTJ-NXEZZACHSA-N 0 0 328.481 -0.213 10 0 EBAERN OC[C@@H]1O[C@H](n2cnc3c2ncnc3NC2CCCC2)[C@@H](O)[C@@H]1O ZINC000003874452 257702056 /nfs/dbraw/zinc/70/20/56/257702056.db2.gz SQMWSBKSHWARHU-LIBKGXAOSA-N 0 0 335.364 -0.208 10 0 in-vitro EBAERN Cc1cc(N2CCC[C@H](NS(=O)(=O)c3c[nH]cn3)C2=O)n(C)n1 ZINC000328613928 258037872 /nfs/dbraw/zinc/03/78/72/258037872.db2.gz URALZESVYDAQIV-JTQLQIEISA-N 0 0 338.393 -0.074 10 0 EBAERN CC1(C)O[C@@H]2C[C@@H]3OC(C)(C)O[C@]3(COS(N)(=O)=O)O[C@H]2O1 ZINC000334163379 258015889 /nfs/dbraw/zinc/01/58/89/258015889.db2.gz ZKQFXRVJUBCEBG-SREGZZRCSA-N 0 0 339.366 -0.048 10 0 EBAERN O=C(C(=O)N1CCN(c2nccn(C3CC3)c2=O)CC1)N1CCCC1 ZINC000302015839 155172126 /nfs/dbraw/zinc/17/21/26/155172126.db2.gz LQPKXDSUBSKTEN-UHFFFAOYSA-N 0 0 345.403 -0.151 10 0 EBAERN Cn1nncc1S(=O)(=O)N[C@@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000328831921 155192082 /nfs/dbraw/zinc/19/20/82/155192082.db2.gz KNJRABHRBODLPO-CYBMUJFWSA-N 0 0 349.416 -0.063 10 0 EBAERN NS(=O)(=O)CCN1CCN(C(=O)C[C@H]2CCCCC(=O)N2)CC1 ZINC000328861707 155192208 /nfs/dbraw/zinc/19/22/08/155192208.db2.gz YYUNNOOJKDMRFS-GFCCVEGCSA-N 0 0 346.453 -0.292 10 0 EBAERN CN1CCO[C@@H]2CCN(C(=O)c3csc(S(N)(=O)=O)c3)C[C@@H]21 ZINC000328905053 155194616 /nfs/dbraw/zinc/19/46/16/155194616.db2.gz JURSJEAHLKAXBW-WDEREUQCSA-N 0 0 345.446 -0.059 10 0 EBAERN O=C([C@@H]1C[C@@H](F)CN1C[C@H](O)CN1CCCC1=O)N1CCOCC1 ZINC000328944361 155198353 /nfs/dbraw/zinc/19/83/53/155198353.db2.gz FZJRDXAAAJVNTO-MCIONIFRSA-N 0 0 343.399 -0.759 10 0 EBAERN C[C@@H]1CN(S(=O)(=O)N2CCO[C@H](Cn3cccn3)C2)C[C@@H](C)O1 ZINC000329356826 155219431 /nfs/dbraw/zinc/21/94/31/155219431.db2.gz HDJXUBZGDZKBSP-MGPQQGTHSA-N 0 0 344.437 -0.062 10 0 EBAERN Cc1nc(C)n(C[C@H]2CN(C(=O)[C@H]3CCN(C)C(=O)C3)CCO2)n1 ZINC000329774951 155239451 /nfs/dbraw/zinc/23/94/51/155239451.db2.gz MSAUEIJFIDEAPP-UONOGXRCSA-N 0 0 335.408 -0.009 10 0 EBAERN C[C@H](CC(=O)N1CCN(C(=O)[C@H](C)O)CC1)N1CCCCC1=O ZINC000329974395 155248198 /nfs/dbraw/zinc/24/81/98/155248198.db2.gz XIELMAAZSBNTOR-OLZOCXBDSA-N 0 0 325.409 -0.171 10 0 EBAERN C[C@H]1CN(C2CCN(S(=O)(=O)c3cnnn3C)CC2)CCO1 ZINC000330035427 155253276 /nfs/dbraw/zinc/25/32/76/155253276.db2.gz BUAGYWAVIDKXOO-NSHDSACASA-N 0 0 329.426 -0.311 10 0 EBAERN C[C@@H]1OCC[C@H]1NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330121204 155254623 /nfs/dbraw/zinc/25/46/23/155254623.db2.gz BKOROBJOSKEEGN-CMPLNLGQSA-N 0 0 340.467 -0.245 10 0 EBAERN O=C([C@@H]1CC[C@H](C(=O)N2CCOCC2)O1)N1C[C@H](F)C[C@@H]1CO ZINC000330170063 155256054 /nfs/dbraw/zinc/25/60/54/155256054.db2.gz DLJMXFOQKQRJTR-LPWJVIDDSA-N 0 0 330.356 -0.676 10 0 EBAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N(C)[C@@H]1COC[C@H]1O ZINC000330233652 155258651 /nfs/dbraw/zinc/25/86/51/155258651.db2.gz XYTPIFZWDNNSQH-BFHYXJOUSA-N 0 0 334.438 -0.201 10 0 EBAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N[C@H]1CC(=O)N(C)C1=O ZINC000330206400 155259155 /nfs/dbraw/zinc/25/91/55/155259155.db2.gz FBZJECWASKYNCE-RYUDHWBXSA-N 0 0 345.421 -0.546 10 0 EBAERN CC[C@H](O)CN1CCN(C(=O)CN(C)c2ncnc3nc[nH]c32)CC1 ZINC000106396029 154090550 /nfs/dbraw/zinc/09/05/50/154090550.db2.gz OZVYUNKJPQLJIJ-LBPRGKRZSA-N 0 0 347.423 -0.296 10 0 EBAERN Cn1c(N)c(C(=O)CN2CC[C@@H]3OCCC[C@@H]3C2)c(=O)n(C)c1=O ZINC000155421697 154092553 /nfs/dbraw/zinc/09/25/53/154092553.db2.gz JNQMFYMQLUFKMA-PWSUYJOCSA-N 0 0 336.392 -0.650 10 0 EBAERN CN1CCO[C@@H](CNC(=O)NCCn2c3ccccc3[nH]c2=O)C1 ZINC000176483024 154110962 /nfs/dbraw/zinc/11/09/62/154110962.db2.gz JUGJMXRGGQXPJJ-LBPRGKRZSA-N 0 0 333.392 -0.041 10 0 EBAERN COc1ncnc2c1CN(C(=O)Cn1nc3ccccn3c1=O)CC2 ZINC000176262499 154111954 /nfs/dbraw/zinc/11/19/54/154111954.db2.gz MEQRWYNTMREWHL-UHFFFAOYSA-N 0 0 340.343 -0.121 10 0 EBAERN CN(C)C(=O)Cn1cc(C(=O)N[C@H]2Cc3ccccc3[C@H]2O)nn1 ZINC000178316043 154117672 /nfs/dbraw/zinc/11/76/72/154117672.db2.gz OKDRMFBIIPLQRA-SWLSCSKDSA-N 0 0 329.360 -0.246 10 0 EBAERN Cn1c2ncn(CC(=O)N[C@@H]3CCCC[C@H]3CO)c2c(=O)n(C)c1=O ZINC000179252402 154122595 /nfs/dbraw/zinc/12/25/95/154122595.db2.gz HWSGTVDEFMFQSU-WDEREUQCSA-N 0 0 349.391 -0.899 10 0 EBAERN COc1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCN2CC3)cc1F ZINC000178957593 154123248 /nfs/dbraw/zinc/12/32/48/154123248.db2.gz CJFALGVPDQCEFP-GFCCVEGCSA-N 0 0 336.367 -0.111 10 0 EBAERN CC[C@H](O)CN1CCN(C(=O)c2cn(CC3(C)COC3)nn2)CC1 ZINC000185239327 154141178 /nfs/dbraw/zinc/14/11/78/154141178.db2.gz ORTUGTHKWAAODZ-ZDUSSCGKSA-N 0 0 337.424 -0.157 10 0 EBAERN Cc1nn(C)cc1NC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000186691312 154143980 /nfs/dbraw/zinc/14/39/80/154143980.db2.gz KQQJTRWEJJRPQH-ZDUSSCGKSA-N 0 0 335.408 -0.010 10 0 EBAERN CNS(=O)(=O)CCNC(=O)N1CCC[C@H](Cc2nccn2C)C1 ZINC000188173840 154149860 /nfs/dbraw/zinc/14/98/60/154149860.db2.gz DIJLYVPZEOASBY-GFCCVEGCSA-N 0 0 343.453 -0.067 10 0 EBAERN CN1CCCN(CC(=O)NCC(C)(C)N2CCOCC2)CC1=O ZINC000191114955 154156879 /nfs/dbraw/zinc/15/68/79/154156879.db2.gz RQJLZANVLVPGBC-UHFFFAOYSA-N 0 0 326.441 -0.623 10 0 EBAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cc(N2CCNC(=O)C2)ccn1 ZINC000191600860 154157227 /nfs/dbraw/zinc/15/72/27/154157227.db2.gz JCTSITYFTGBUDM-LLVKDONJSA-N 0 0 341.375 -0.646 10 0 EBAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCN(c3cnccn3)CC2)C1 ZINC000192558924 154158586 /nfs/dbraw/zinc/15/85/86/154158586.db2.gz YTTAWPUJOYLMHC-CYBMUJFWSA-N 0 0 332.408 -0.678 10 0 EBAERN O=C(CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)N1CCN(Cc2ccccc2)CC1 ZINC000262464447 154231427 /nfs/dbraw/zinc/23/14/27/154231427.db2.gz WFDLPFFXCFASRF-CVEARBPZSA-N 0 0 346.431 -0.830 10 0 EBAERN Cc1nc2c(cnn2C)c(N2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)n1 ZINC000265216950 154307638 /nfs/dbraw/zinc/30/76/38/154307638.db2.gz MRZIYLJTYDSVPZ-LLVKDONJSA-N 0 0 343.391 -0.544 10 0 EBAERN Cn1cc([C@@H]2[C@H](C(=O)N[C@@H]3CC(=O)N(C)C3)CCC(=O)N2C)cn1 ZINC000265288148 154310406 /nfs/dbraw/zinc/31/04/06/154310406.db2.gz ZGOBQTHTCXMDSM-LALPHHSUSA-N 0 0 333.392 -0.324 10 0 EBAERN CCN(CC)C(=O)[C@@H]1CSCN1C(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000357582951 157156730 /nfs/dbraw/zinc/15/67/30/157156730.db2.gz MEJARMYCLMRYOR-UPJWGTAASA-N 0 0 343.449 -0.262 10 0 EBAERN CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1C[C@H](O)CN1C(C)=O ZINC000357592129 157158395 /nfs/dbraw/zinc/15/83/95/157158395.db2.gz CJWTUYFGFKUYOK-BQUFFADESA-N 0 0 343.449 -0.216 10 0 EBAERN Cn1c(=O)c2ccc(C(=O)N3C[C@H](F)C[C@H]3CO)nc2n(C)c1=O ZINC000372508852 157628311 /nfs/dbraw/zinc/62/83/11/157628311.db2.gz XVMUHHWRPUDDIL-BDAKNGLRSA-N 0 0 336.323 -0.823 10 0 EBAERN Cc1cnc(C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)cn1 ZINC000407950691 157700205 /nfs/dbraw/zinc/70/02/05/157700205.db2.gz ARYWSMVVSUQAOX-AWEZNQCLSA-N 0 0 347.419 -0.210 10 0 EBAERN CNC(=O)[C@H]1CN(C(=O)[C@@H]2CSCN2C(=O)C2CCC2)CCO1 ZINC000408173365 157714200 /nfs/dbraw/zinc/71/42/00/157714200.db2.gz KDYUETMZCPLYPK-NWDGAFQWSA-N 0 0 341.433 -0.339 10 0 EBAERN COC(=O)CN1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CC1 ZINC000408366924 157722975 /nfs/dbraw/zinc/72/29/75/157722975.db2.gz PQRDRENUUIQXDU-VXGBXAGGSA-N 0 0 335.426 -0.869 10 0 EBAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)NC[C@@H](O)CN2CCOCC2)C1 ZINC000408396411 157724471 /nfs/dbraw/zinc/72/44/71/157724471.db2.gz PUSNUMNBOABCRX-HZSPNIEDSA-N 0 0 335.470 -0.508 10 0 EBAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000234590635 419020481 /nfs/dbraw/zinc/02/04/81/419020481.db2.gz YXVLCIOEJHNPEM-SCVCMEIPSA-N 0 0 339.435 -0.175 10 0 EBAERN COC(=O)[C@H]1Cc2[nH]cnc2CN1C(=O)c1cc2n(n1)CCN(C)C2 ZINC000067982883 419009990 /nfs/dbraw/zinc/00/99/90/419009990.db2.gz NVGSXCYDULBNGH-CQSZACIVSA-N 0 0 344.375 -0.208 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000318546152 419111975 /nfs/dbraw/zinc/11/19/75/419111975.db2.gz SCRKSSSDUTUVCQ-JHJVBQTASA-N 0 0 334.438 -0.201 10 0 EBAERN Cc1cc(C(=O)N[C@H]2CCO[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000270935646 419080193 /nfs/dbraw/zinc/08/01/93/419080193.db2.gz UYAPJILVSYOHRS-UWVGGRQHSA-N 0 0 332.360 -0.152 10 0 EBAERN C[C@@]1(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CCOC1 ZINC000407997595 419132860 /nfs/dbraw/zinc/13/28/60/419132860.db2.gz IMIFHINWFXZCIA-CQSZACIVSA-N 0 0 343.405 -0.056 10 0 EBAERN CNS(=O)(=O)c1cc(C(=O)N2CCC[C@]3(CNC(=O)C3)C2)co1 ZINC000407996244 419132919 /nfs/dbraw/zinc/13/29/19/419132919.db2.gz PUXKSXYAFLVCAV-AWEZNQCLSA-N 0 0 341.389 -0.070 10 0 EBAERN C[C@H](C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)N1CCOCC1 ZINC000408001541 419133193 /nfs/dbraw/zinc/13/31/93/419133193.db2.gz QDGRRRBKKJVXOP-OLZOCXBDSA-N 0 0 333.454 -0.505 10 0 EBAERN CC(C)CNC(=O)NC(=O)[C@@H](C)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408040903 419137549 /nfs/dbraw/zinc/13/75/49/419137549.db2.gz DQWGDKLVJXNKOX-UTUOFQBUSA-N 0 0 325.413 -0.045 10 0 EBAERN Cc1nnc2n1C[C@H](C(=O)N1CCN(c3ncccn3)CC1)N(C)C2 ZINC000644235324 419140003 /nfs/dbraw/zinc/14/00/03/419140003.db2.gz YJDQLRCZCYPQHL-CYBMUJFWSA-N 0 0 342.407 -0.461 10 0 EBAERN Cn1nc2c(c1NC(=O)C[C@@H]1CS(=O)(=O)CCN1C)CCC2 ZINC000644313987 419147408 /nfs/dbraw/zinc/14/74/08/419147408.db2.gz HXGSAVUTWAGKHK-SNVBAGLBSA-N 0 0 326.422 -0.034 10 0 EBAERN C[C@@H](NC(=O)CN1C[C@@H](O)[C@H]([N@H+](C)CC(=O)[O-])C1)c1cccs1 ZINC000583615470 419150268 /nfs/dbraw/zinc/15/02/68/419150268.db2.gz CAHMCJSRQSVGGO-IJLUTSLNSA-N 0 0 341.433 -0.013 10 0 EBAERN CC(=O)N1CCC[C@@](O)(C(=O)NCCN2CCOCC2(C)C)C1 ZINC000408051753 419175196 /nfs/dbraw/zinc/17/51/96/419175196.db2.gz QVBFLXBDNIGKTF-INIZCTEOSA-N 0 0 327.425 -0.413 10 0 EBAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000408085586 419193823 /nfs/dbraw/zinc/19/38/23/419193823.db2.gz AXRUIPRLDKSNEI-NEPJUHHUSA-N 0 0 331.438 -0.086 10 0 EBAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407955065 419126368 /nfs/dbraw/zinc/12/63/68/419126368.db2.gz HAPVMOWLFXTWOQ-RYUDHWBXSA-N 0 0 330.406 -0.036 10 0 EBAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000408234844 419244191 /nfs/dbraw/zinc/24/41/91/419244191.db2.gz HYXVRXOSMZIQKJ-OLZOCXBDSA-N 0 0 343.453 -0.119 10 0 EBAERN C[C@@H]1C[C@H](C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)CC(=O)N1 ZINC000408207148 419241030 /nfs/dbraw/zinc/24/10/30/419241030.db2.gz VPKZOTBZUKZFRW-GRYCIOLGSA-N 0 0 331.438 -0.169 10 0 EBAERN CCN(C(=O)CN1CC[S@](=O)[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000408211206 419241965 /nfs/dbraw/zinc/24/19/65/419241965.db2.gz NFXXCFUKDHNDHT-PVUDRZGPSA-N 0 0 336.479 -0.525 10 0 EBAERN CN(CC(=O)N1CCOCC1)C(=O)CN1CCC[C@H]1c1cnn(C)c1 ZINC000171504897 419762977 /nfs/dbraw/zinc/76/29/77/419762977.db2.gz DGYORYMMQDFXJK-HNNXBMFYSA-N 0 0 349.435 -0.126 10 0 EBAERN CC[C@H](O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000178213146 419775657 /nfs/dbraw/zinc/77/56/57/419775657.db2.gz SLCFKSPKLQRFQY-OCCSQVGLSA-N 0 0 335.408 -0.322 10 0 EBAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N1CCOC[C@H]1C(N)=O ZINC000368649041 419981430 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