smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1OCCN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000159386022 540009066 /nfs/dbraw/zinc/00/90/66/540009066.db2.gz GGFXBIVDHXGHDY-MRXNPFEDSA-N 0 3 347.459 1.488 20 70 EDIDHN C[C@@H](CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccncc1 ZINC000159990589 540017994 /nfs/dbraw/zinc/01/79/94/540017994.db2.gz IFWNPXIDXIRSCO-INIZCTEOSA-N 0 3 344.459 1.342 20 70 EDIDHN CCN(CC)CC(=O)N1CCN(C(=O)C[C@H](C)c2ccncc2)CC1 ZINC000160015548 540018260 /nfs/dbraw/zinc/01/82/60/540018260.db2.gz XJIRAOKVKBZHIZ-INIZCTEOSA-N 0 3 346.475 1.588 20 70 EDIDHN C[C@H](N)C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000159525251 206249629 /nfs/dbraw/zinc/24/96/29/206249629.db2.gz VACPGUDKRCXMNW-JTQLQIEISA-N 0 3 342.237 1.261 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000160056635 206277588 /nfs/dbraw/zinc/27/75/88/206277588.db2.gz RXARZSYIRURNRM-KRWDZBQOSA-N 0 3 345.443 1.612 20 70 EDIDHN O=C(Cc1ccc(OC(F)F)cc1)NC[C@H](O)CN1CCCCC1 ZINC000160259896 206286445 /nfs/dbraw/zinc/28/64/45/206286445.db2.gz WPDKMQWRXWYIOH-AWEZNQCLSA-N 0 3 342.386 1.794 20 70 EDIDHN COc1cc(/C=C/C(=O)NC[C@@H](O)CN2CCCCC2)cc(OC)c1 ZINC000160307422 206289154 /nfs/dbraw/zinc/28/91/54/206289154.db2.gz QYYVFVYIUXRURJ-FYCOFBDGSA-N 0 3 348.443 1.680 20 70 EDIDHN CCc1n[nH]c(=O)c(CNC(=O)N2CCCN(CC)CC2)c1CC ZINC000160427496 206297013 /nfs/dbraw/zinc/29/70/13/206297013.db2.gz LWKIRMSVVZTBOS-UHFFFAOYSA-N 0 3 335.452 1.132 20 70 EDIDHN CCc1noc2ncc(C(=O)NC[C@H](O)CN3CCCCC3)cc12 ZINC000160545823 206302781 /nfs/dbraw/zinc/30/27/81/206302781.db2.gz MGJQUMIJXQRPOK-ZDUSSCGKSA-N 0 3 332.404 1.362 20 70 EDIDHN CCN1CCCN(C(=O)NCc2cn(C)nc2C(F)(F)F)CC1 ZINC000160775701 206311984 /nfs/dbraw/zinc/31/19/84/206311984.db2.gz RDWAVKILDAPWBL-UHFFFAOYSA-N 0 3 333.358 1.676 20 70 EDIDHN O=C(CNC[C@@H]1CCCO1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000161324060 206341929 /nfs/dbraw/zinc/34/19/29/206341929.db2.gz IVOGORHARFZAPO-MSOLQXFVSA-N 0 3 332.444 1.820 20 70 EDIDHN C[C@]1(c2cccc(NC(=O)[C@]3(C)CCC[NH2+]C3)c2)NC(=O)[N-]C1=O ZINC000161413236 206346809 /nfs/dbraw/zinc/34/68/09/206346809.db2.gz FGWINQZYNQYZAX-IAGOWNOFSA-N 0 3 330.388 1.069 20 70 EDIDHN Cc1nn(C)c(C)c1C[C@H](C)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160370267 272929599 /nfs/dbraw/zinc/92/95/99/272929599.db2.gz ORPAHSWLBCGGMT-XJKSGUPXSA-N 0 3 336.480 1.179 20 70 EDIDHN CC(=O)N[C@@H](CC(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1 ZINC000160285948 278133543 /nfs/dbraw/zinc/13/35/43/278133543.db2.gz YVVRJCDMUZCSAW-MSOLQXFVSA-N 0 3 347.459 1.217 20 70 EDIDHN C[C@@H]1Cc2ccccc2[C@@H]1NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160978653 279022264 /nfs/dbraw/zinc/02/22/64/279022264.db2.gz UTNZLLYZAAEUGE-BFUOFWGJSA-N 0 3 337.423 1.925 20 70 EDIDHN CCC(=O)N[C@@H](C(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1 ZINC000160141917 441861051 /nfs/dbraw/zinc/86/10/51/441861051.db2.gz GHLXVTWLFRQQTC-SJLPKXTDSA-N 0 3 347.459 1.217 20 70 EDIDHN C[C@H](CNC(=O)NC1C[C@@H](C)O[C@H](C)C1)CN1CCN(C)CC1 ZINC000159746518 441834830 /nfs/dbraw/zinc/83/48/30/441834830.db2.gz UXFZJYIXAAGWBR-RBSFLKMASA-N 0 3 326.485 1.125 20 70 EDIDHN CCN1CCCN(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000159847130 441843488 /nfs/dbraw/zinc/84/34/88/441843488.db2.gz JGVAXESWFVMETA-AWEZNQCLSA-N 0 3 340.468 1.733 20 70 EDIDHN CN(C(=O)CCc1nnc[n-]1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000160824774 441925009 /nfs/dbraw/zinc/92/50/09/441925009.db2.gz ANHAILBVHZHQJJ-UHFFFAOYSA-N 0 3 343.431 1.875 20 70 EDIDHN Cc1nn(C)c(C)c1C[C@H](C)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160370001 441875505 /nfs/dbraw/zinc/87/55/05/441875505.db2.gz ORPAHSWLBCGGMT-BBRMVZONSA-N 0 3 336.480 1.179 20 70 EDIDHN O=C(NCC1CCN(C(=O)c2ccccc2)CC1)[C@@H]1CCCCN1 ZINC000161185901 441968723 /nfs/dbraw/zinc/96/87/23/441968723.db2.gz FRKJSQIIXWFTPC-KRWDZBQOSA-N 0 3 329.444 1.797 20 70 EDIDHN CC(=O)N1CSC[C@@H]1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000161403189 441996406 /nfs/dbraw/zinc/99/64/06/441996406.db2.gz YSAAMYGUZZRAHW-HZPDHXFCSA-N 0 3 335.473 1.635 20 70 EDIDHN COC1CCN(CCNC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000160321050 540022292 /nfs/dbraw/zinc/02/22/92/540022292.db2.gz ADWJSWWDDDKLDD-GOEBONIOSA-N 0 3 325.453 1.354 20 70 EDIDHN CC[C@H](C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)N(C)C ZINC000159708265 206259494 /nfs/dbraw/zinc/25/94/94/206259494.db2.gz JQWSFAOYVQXYGO-QGZVFWFLSA-N 0 3 342.443 1.793 20 70 EDIDHN CC(C)N(CCN(C)C)C(=O)NCc1ccc([S@@](C)=O)cc1 ZINC000159499650 206248263 /nfs/dbraw/zinc/24/82/63/206248263.db2.gz OMNTWMCMKYJRLF-QFIPXVFZSA-N 0 3 325.478 1.906 20 70 EDIDHN O=C(CCC(=O)c1ccc(F)cc1)NC[C@@H](O)CN1CCCCC1 ZINC000160106141 206279561 /nfs/dbraw/zinc/27/95/61/206279561.db2.gz QZTGMNBPWOBZJS-MRXNPFEDSA-N 0 3 336.407 1.752 20 70 EDIDHN C[C@H]1Cc2ccccc2[C@H]1NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160979030 206320917 /nfs/dbraw/zinc/32/09/17/206320917.db2.gz UTNZLLYZAAEUGE-DJJJIMSYSA-N 0 3 337.423 1.925 20 70 EDIDHN CC(C)[C@@H](N)C(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000161491338 206351836 /nfs/dbraw/zinc/35/18/36/206351836.db2.gz IEAYUIHMBVGUIQ-WCQYABFASA-N 0 3 328.796 1.244 20 70 EDIDHN COCCN(CCOC)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000160205460 277216532 /nfs/dbraw/zinc/21/65/32/277216532.db2.gz TZKIZXIPOHOMLD-FUHWJXTLSA-N 0 3 349.475 1.954 20 70 EDIDHN CC(C(=O)N1CCCCC[C@@H]1C[C@H](O)c1ccco1)S(C)(=O)=O ZINC000159992081 298018556 /nfs/dbraw/zinc/01/85/56/298018556.db2.gz BBIHVJYHYRBKSI-MCIONIFRSA-N 0 3 343.445 1.907 20 70 EDIDHN CCc1ncnc(N[C@@H](CC(C)C)C(=O)NCCN(C)C)c1F ZINC000161002801 302924874 /nfs/dbraw/zinc/92/48/74/302924874.db2.gz VVXUDVGZDQXILE-ZDUSSCGKSA-N 0 3 325.432 1.683 20 70 EDIDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CCC(C)C)n1 ZINC000160427646 441882366 /nfs/dbraw/zinc/88/23/66/441882366.db2.gz KTQGZPPGMRLRFT-OAHLLOKOSA-N 0 3 349.479 1.858 20 70 EDIDHN CCCCN1CCCC[C@H]1CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000161241563 441976559 /nfs/dbraw/zinc/97/65/59/441976559.db2.gz DYJXCHNUJHZSTJ-XHSDSOJGSA-N 0 3 347.525 1.585 20 70 EDIDHN CCC(=O)N1CC[C@H](C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000161091126 441955637 /nfs/dbraw/zinc/95/56/37/441955637.db2.gz SDQZTIUQRXFKAS-INIZCTEOSA-N 0 3 347.459 1.502 20 70 EDIDHN CCN(Cc1ccc(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1)C1CC1 ZINC000161093463 441956827 /nfs/dbraw/zinc/95/68/27/441956827.db2.gz AQPRYLYHJYIXAC-IAGOWNOFSA-N 0 3 345.443 1.434 20 70 EDIDHN CN(C)C[C@](C)(O)CNS(=O)(=O)c1ccccc1C(C)(C)C ZINC000161459356 442001859 /nfs/dbraw/zinc/00/18/59/442001859.db2.gz DURMTHBEUIGNBS-MRXNPFEDSA-N 0 3 328.478 1.575 20 70 EDIDHN O=C(Cn1nc(C2CC2)nc1C1CC1)NC1CCN(C2CC2)CC1 ZINC000161505087 442005897 /nfs/dbraw/zinc/00/58/97/442005897.db2.gz WVOYBCKSVDSRTF-UHFFFAOYSA-N 0 3 329.448 1.776 20 70 EDIDHN CCN(C)C(=O)CNC[C@@H](O)COc1ccc(Br)cc1 ZINC000218120754 443058281 /nfs/dbraw/zinc/05/82/81/443058281.db2.gz STHNTDKNWASBCV-GFCCVEGCSA-N 0 3 345.237 1.257 20 70 EDIDHN CCN1CCCN(C(=O)NCCc2cn3cccc(C)c3n2)CC1 ZINC000159938899 540017102 /nfs/dbraw/zinc/01/71/02/540017102.db2.gz JHUKXAAOBVTJDO-UHFFFAOYSA-N 0 3 329.448 1.922 20 70 EDIDHN CCN1CCCN(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000159586349 206253381 /nfs/dbraw/zinc/25/33/81/206253381.db2.gz FKCUWDVAZUCLDN-UHFFFAOYSA-N 0 3 348.447 1.621 20 70 EDIDHN COc1ccc(C(F)(F)C(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160429191 206297888 /nfs/dbraw/zinc/29/78/88/206297888.db2.gz IZVNCLOKVOHLPS-AWEZNQCLSA-N 0 3 342.386 1.750 20 70 EDIDHN C[C@@H]1Cc2ccccc2[C@H]1NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160978906 206320492 /nfs/dbraw/zinc/32/04/92/206320492.db2.gz UTNZLLYZAAEUGE-YJYMSZOUSA-N 0 3 337.423 1.925 20 70 EDIDHN CC(=O)NC1CCC(N[C@H](Cc2ccccc2)C(=O)N(C)C)CC1 ZINC000161433465 206347444 /nfs/dbraw/zinc/34/74/44/206347444.db2.gz JYHKSSXDVDAGCP-DAWZGUTISA-N 0 3 331.460 1.723 20 70 EDIDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)NC[C@H]1CCOC1 ZINC000160941787 302924442 /nfs/dbraw/zinc/92/44/42/302924442.db2.gz CMCQNBWGLSQMJR-MRXNPFEDSA-N 0 3 332.448 1.976 20 70 EDIDHN CC(C)CN1CCC[C@@H]1CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000160304651 441871131 /nfs/dbraw/zinc/87/11/31/441871131.db2.gz GOEMNPBZUPKSJC-SOUVJXGZSA-N 0 3 333.498 1.050 20 70 EDIDHN CCN1CCCN(C(=O)NCCc2nnc3n2CCCCC3)CC1 ZINC000159573441 441822740 /nfs/dbraw/zinc/82/27/40/441822740.db2.gz QGJOQCMUFGINMJ-UHFFFAOYSA-N 0 3 334.468 1.284 20 70 EDIDHN COCCOc1cccc(C(=O)NCC2CCN(CCO)CC2)c1 ZINC000160633999 441903397 /nfs/dbraw/zinc/90/33/97/441903397.db2.gz WSGBLSZSYYMREU-UHFFFAOYSA-N 0 3 336.432 1.146 20 70 EDIDHN C[C@H](NC(=O)[C@]1(F)CCNC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000160760076 441918100 /nfs/dbraw/zinc/91/81/00/441918100.db2.gz XBCBYBWCYAFHRX-XPTSAGLGSA-N 0 3 332.372 1.108 20 70 EDIDHN O=C(CN1CC[C@]2(O)CCCC[C@H]2C1)NC1CCN(C2CC2)CC1 ZINC000160527069 441893063 /nfs/dbraw/zinc/89/30/63/441893063.db2.gz CMVMPRSXYIAHCQ-HNAYVOBHSA-N 0 3 335.492 1.356 20 70 EDIDHN COCCCN(C)CCNC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160897516 441933642 /nfs/dbraw/zinc/93/36/42/441933642.db2.gz YGGXNGRFFYIYMU-UHFFFAOYSA-N 0 3 337.346 1.535 20 70 EDIDHN O=C(CCN1CCC[C@@H](c2nnc3n2CCC3)C1)N1CCCCC1 ZINC000161397813 441994849 /nfs/dbraw/zinc/99/48/49/441994849.db2.gz XVNWHMIUNURAPL-OAHLLOKOSA-N 0 3 331.464 1.806 20 70 EDIDHN COCCCN(C)CCNC(=O)c1cc(-c2cccc(OC)c2)n[nH]1 ZINC000160005954 206274662 /nfs/dbraw/zinc/27/46/62/206274662.db2.gz VJLDNHRKCYDOJF-UHFFFAOYSA-N 0 3 346.431 1.783 20 70 EDIDHN CCN1CCCC[C@@H]1CNC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000160144941 206282603 /nfs/dbraw/zinc/28/26/03/206282603.db2.gz FQPSNFDEPMVDRT-GOSISDBHSA-N 0 3 345.491 1.783 20 70 EDIDHN CC1=NN(c2ccc(C(=O)NC[C@@H](O)CN3CCCCC3)cc2)CC1 ZINC000160328694 206291157 /nfs/dbraw/zinc/29/11/57/206291157.db2.gz SNOOQFOWEBBGAY-GOSISDBHSA-N 0 3 344.459 1.849 20 70 EDIDHN CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@H](N3CC=CC3)C2)c1CC ZINC000160378836 206293915 /nfs/dbraw/zinc/29/39/15/206293915.db2.gz PPMPQYXVZABGOH-ZDUSSCGKSA-N 0 3 345.447 1.050 20 70 EDIDHN CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)c1CC ZINC000160378913 206294110 /nfs/dbraw/zinc/29/41/10/206294110.db2.gz PPMPQYXVZABGOH-CYBMUJFWSA-N 0 3 345.447 1.050 20 70 EDIDHN COc1ccc2c(c1)C[C@@H](C(=O)NC[C@H](O)CN1CCCCC1)CO2 ZINC000160378585 206295034 /nfs/dbraw/zinc/29/50/34/206295034.db2.gz RGVDHDPJSPEACC-CVEARBPZSA-N 0 3 348.443 1.209 20 70 EDIDHN O=C(CCc1cc(F)ccc1F)NC[C@@H](O)CN1CCCCC1 ZINC000160485702 206300186 /nfs/dbraw/zinc/30/01/86/206300186.db2.gz MPCUGWCHPMEUJG-OAHLLOKOSA-N 0 3 326.387 1.860 20 70 EDIDHN CCC(=O)N1CC[C@@H](C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC000161034064 206325371 /nfs/dbraw/zinc/32/53/71/206325371.db2.gz MOOIWLKDAQYSGP-IAGOWNOFSA-N 0 3 331.460 1.972 20 70 EDIDHN COCCCN(C)CCNC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000161183517 206333885 /nfs/dbraw/zinc/33/38/85/206333885.db2.gz WJMPGQYXRFOZNY-UHFFFAOYSA-N 0 3 346.435 1.572 20 70 EDIDHN CN(C)C[C@@H]1CN(C(=O)Nc2cccc(-c3ncn(C)n3)c2)CCO1 ZINC000161433630 206348312 /nfs/dbraw/zinc/34/83/12/206348312.db2.gz VRUXGXNXYIBOLA-OAHLLOKOSA-N 0 3 344.419 1.276 20 70 EDIDHN COc1ncc(NC(=O)c2cccc(CN(C)C)c2)cc1C(N)=O ZINC000160760277 225469234 /nfs/dbraw/zinc/46/92/34/225469234.db2.gz KOCSQPBPSIHREU-UHFFFAOYSA-N 0 3 328.372 1.503 20 70 EDIDHN Cc1nn2c(nc(C)cc2C)c1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160520246 293806151 /nfs/dbraw/zinc/80/61/51/293806151.db2.gz LNIORBOCHIQIDG-HNNXBMFYSA-N 0 3 345.447 1.231 20 70 EDIDHN CCN1CCN(c2ccc(CN[C@@H](C)c3cnccn3)cn2)CC1 ZINC000159500662 441818143 /nfs/dbraw/zinc/81/81/43/441818143.db2.gz XQWSXDPAZZPLOA-HNNXBMFYSA-N 0 3 326.448 1.864 20 70 EDIDHN CCc1n[nH]c(=O)c(CNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c1CC ZINC000159660330 441827384 /nfs/dbraw/zinc/82/73/84/441827384.db2.gz VJSKWORIULPHHB-RYUDHWBXSA-N 0 3 347.463 1.319 20 70 EDIDHN CN(C)Cc1cccc(CNC(=O)NC[C@H]2CCCS2(=O)=O)c1 ZINC000159906418 441845751 /nfs/dbraw/zinc/84/57/51/441845751.db2.gz DVGUTCFFPNTWTE-OAHLLOKOSA-N 0 3 339.461 1.125 20 70 EDIDHN O=C(CN1CCc2sccc2C1)NC[C@@H](O)CN1CCCCC1 ZINC000159965369 441851193 /nfs/dbraw/zinc/85/11/93/441851193.db2.gz KRZQQVOIFDJPNA-OAHLLOKOSA-N 0 3 337.489 1.069 20 70 EDIDHN O=C(Cc1cccc2cccnc21)NC[C@H](O)CN1CCCCC1 ZINC000159994725 441853027 /nfs/dbraw/zinc/85/30/27/441853027.db2.gz ZJFHRRDSOSAXLH-KRWDZBQOSA-N 0 3 327.428 1.740 20 70 EDIDHN Cc1ccc(-n2cc(C(=O)NCC3CCN(CCO)CC3)nn2)cc1 ZINC000160709673 441912127 /nfs/dbraw/zinc/91/21/27/441912127.db2.gz MMKIVQBYSXBAIY-UHFFFAOYSA-N 0 3 343.431 1.010 20 70 EDIDHN CCOc1ccc(CCC(=O)NCC2CCN(CCO)CC2)cc1 ZINC000160531405 441892798 /nfs/dbraw/zinc/89/27/98/441892798.db2.gz RHMOLNZQCFONNB-UHFFFAOYSA-N 0 3 334.460 1.838 20 70 EDIDHN C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000161230217 441974451 /nfs/dbraw/zinc/97/44/51/441974451.db2.gz FCHRTKMCFZFYGA-NSHDSACASA-N 0 3 329.397 1.021 20 70 EDIDHN Cc1ccccc1CNC(=O)C(C)S(=O)(=O)Cc1nccn1C ZINC000161172462 441966419 /nfs/dbraw/zinc/96/64/19/441966419.db2.gz RKEQUJJETKOYDP-ZDUSSCGKSA-N 0 3 335.429 1.348 20 70 EDIDHN O=C(NCC1CCN(CCO)CC1)c1cccc(NC(=O)C2CC2)c1 ZINC000160602017 138640844 /nfs/dbraw/zinc/64/08/44/138640844.db2.gz CFFGVEDDKCGBDY-UHFFFAOYSA-N 0 3 345.443 1.469 20 70 EDIDHN CSCC[C@@H](N)C(=O)Nc1ccc(OCc2noc(C)n2)cc1 ZINC000159475885 206248486 /nfs/dbraw/zinc/24/84/86/206248486.db2.gz MXJZLWKONZZWIN-CYBMUJFWSA-N 0 3 336.417 1.976 20 70 EDIDHN COc1cc(C(=O)NC[C@@H](O)CN2CCCCC2)cc(OC)c1C ZINC000159976510 206273967 /nfs/dbraw/zinc/27/39/67/206273967.db2.gz BLJLNAJOPBMCHQ-OAHLLOKOSA-N 0 3 336.432 1.589 20 70 EDIDHN COc1cc(Cl)ccc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000159992036 206275304 /nfs/dbraw/zinc/27/53/04/206275304.db2.gz LMDMKPIJGBFJKS-ZDUSSCGKSA-N 0 3 326.824 1.925 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1CCCN1Cc1ccccc1 ZINC000160089071 206279540 /nfs/dbraw/zinc/27/95/40/206279540.db2.gz IEDHEHCYHAZBGZ-OALUTQOASA-N 0 3 345.487 1.614 20 70 EDIDHN CSCC[C@H](N)C(=O)NC[C@@H](O)c1cccc(OC(C)C)c1 ZINC000160965078 206321099 /nfs/dbraw/zinc/32/10/99/206321099.db2.gz CUOONAPCVHBZIZ-LSDHHAIUSA-N 0 3 326.462 1.704 20 70 EDIDHN CC[C@@H](NCc1cccc(C(=O)NCCN(C)C)c1)c1cnn(C)c1 ZINC000161201380 206334123 /nfs/dbraw/zinc/33/41/23/206334123.db2.gz BJHYRIZCENHVKV-GOSISDBHSA-N 0 3 343.475 1.952 20 70 EDIDHN Cc1nn(C)c(Cl)c1CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000159428054 441811136 /nfs/dbraw/zinc/81/11/36/441811136.db2.gz NCAUQANHGUCFJM-CQSZACIVSA-N 0 3 339.871 1.296 20 70 EDIDHN CC1CCN(CCNC(=O)N2CCCN(CC(F)F)CC2)CC1 ZINC000160305913 441871315 /nfs/dbraw/zinc/87/13/15/441871315.db2.gz KYHYCHDJCOZJOT-UHFFFAOYSA-N 0 3 332.439 1.701 20 70 EDIDHN O=C(NCC1CCN(CCO)CC1)c1cncn1-c1ccccc1 ZINC000160678633 441908113 /nfs/dbraw/zinc/90/81/13/441908113.db2.gz CIFKYOYILWRXSH-UHFFFAOYSA-N 0 3 328.416 1.306 20 70 EDIDHN CN(C)C(=O)CCNC(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000160503995 441889828 /nfs/dbraw/zinc/88/98/28/441889828.db2.gz GRWLOUHOBKPGIM-UHFFFAOYSA-N 0 3 347.463 1.418 20 70 EDIDHN Cc1cccc2[nH]c(CCC(=O)NC[C@H](O)CN3CCCCC3)nc21 ZINC000160507637 441891875 /nfs/dbraw/zinc/89/18/75/441891875.db2.gz BLIZFBXNUBGAIY-HNNXBMFYSA-N 0 3 344.459 1.767 20 70 EDIDHN CC[C@H]1CCCCN1C(=O)C(C)S(=O)(=O)Cc1nccn1C ZINC000161192301 441970201 /nfs/dbraw/zinc/97/02/01/441970201.db2.gz LXXIICYQAUIASN-OLZOCXBDSA-N 0 3 327.450 1.515 20 70 EDIDHN CNC(=O)NC(=O)[C@@H](C)N(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161237770 441976240 /nfs/dbraw/zinc/97/62/40/441976240.db2.gz RKOBIBPTYAPZQB-CYBMUJFWSA-N 0 3 343.431 1.785 20 70 EDIDHN COCCCN(C)CCNC(=O)c1cnc(-c2ccccc2)nc1 ZINC000161061229 441952586 /nfs/dbraw/zinc/95/25/86/441952586.db2.gz NYPBYRFLEVNPII-UHFFFAOYSA-N 0 3 328.416 1.842 20 70 EDIDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C2CCC(C)(C)CC2)CC1 ZINC000161316744 441984210 /nfs/dbraw/zinc/98/42/10/441984210.db2.gz DPUWVRWRDTWMQH-INIZCTEOSA-N 0 3 335.492 1.968 20 70 EDIDHN CCN1CCCN(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000159841996 206266947 /nfs/dbraw/zinc/26/69/47/206266947.db2.gz RJNBVFQEWDBVFW-INIZCTEOSA-N 0 3 330.432 1.529 20 70 EDIDHN CN(C)[C@@H](CNC(=O)CN(C)CCc1ccncc1)c1ccccc1 ZINC000160217600 206284316 /nfs/dbraw/zinc/28/43/16/206284316.db2.gz SQTDZHPVHJZSQO-IBGZPJMESA-N 0 3 340.471 1.975 20 70 EDIDHN COCCN(CCN(C)C)C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000160879535 206316662 /nfs/dbraw/zinc/31/66/62/206316662.db2.gz XFTZFBIDWSMRJM-UHFFFAOYSA-N 0 3 346.435 1.524 20 70 EDIDHN COc1ccc([C@H](C)NCc2ccc(C(=O)NCC(N)=O)cc2)cc1 ZINC000161018657 206323218 /nfs/dbraw/zinc/32/32/18/206323218.db2.gz URNGHLSGZDMRIO-ZDUSSCGKSA-N 0 3 341.411 1.761 20 70 EDIDHN NC(=O)c1cccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000161400744 225620468 /nfs/dbraw/zinc/62/04/68/225620468.db2.gz QMXTZBXEJTVMLP-HNNXBMFYSA-N 0 3 325.416 1.703 20 70 EDIDHN Cc1ccc(NC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)cn1 ZINC000159800337 267496479 /nfs/dbraw/zinc/49/64/79/267496479.db2.gz WRNNKSKFPWXNBF-KRWDZBQOSA-N 0 3 340.427 1.618 20 70 EDIDHN CCN1CCCN(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)CC1 ZINC000159886643 279287185 /nfs/dbraw/zinc/28/71/85/279287185.db2.gz FGRZBJDXOFPUJI-AWEZNQCLSA-N 0 3 334.468 1.454 20 70 EDIDHN Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@H](C)CN2CCCCC2)c1 ZINC000160266284 301703371 /nfs/dbraw/zinc/70/33/71/301703371.db2.gz MOXZEYRCXYIYGM-CYBMUJFWSA-N 0 3 339.461 1.247 20 70 EDIDHN CN(CC(=O)NC[C@H](c1ccccc1)N(C)C)CC1CCOCC1 ZINC000160212056 441866468 /nfs/dbraw/zinc/86/64/68/441866468.db2.gz VHVVAFYLOMRVPO-GOSISDBHSA-N 0 3 333.476 1.764 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc(-c2cccs2)n[nH]1 ZINC000160244184 441867834 /nfs/dbraw/zinc/86/78/34/441867834.db2.gz PTWLWZBBVODHEF-GFCCVEGCSA-N 0 3 334.445 1.715 20 70 EDIDHN C[C@@H](CN1CCOCC1)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000160313933 441870485 /nfs/dbraw/zinc/87/04/85/441870485.db2.gz CJIMPDASZSDNHV-HNNXBMFYSA-N 0 3 326.485 1.223 20 70 EDIDHN CN1CCC(NC(=O)[C@@]2(C)CCCN2C(=O)OC(C)(C)C)CC1 ZINC000159855247 441842717 /nfs/dbraw/zinc/84/27/17/441842717.db2.gz NGNLKYQCJAVAJL-QGZVFWFLSA-N 0 3 325.453 1.986 20 70 EDIDHN O=C(NCC1CCN(CCO)CC1)c1cc(-c2ccccc2)no1 ZINC000160645032 441904643 /nfs/dbraw/zinc/90/46/43/441904643.db2.gz PTPSOOUNGAXQJN-UHFFFAOYSA-N 0 3 329.400 1.776 20 70 EDIDHN O=C(NCC1CCN(CCO)CC1)c1ccccc1Br ZINC000160685810 441909112 /nfs/dbraw/zinc/90/91/12/441909112.db2.gz WDUJCLWZBGRTBH-UHFFFAOYSA-N 0 3 341.249 1.883 20 70 EDIDHN CN(CC(=O)NC[C@H](c1ccco1)N1CCCC1)[C@@H]1CCSC1 ZINC000160399440 441878029 /nfs/dbraw/zinc/87/80/29/441878029.db2.gz XYMWAHKPXDFTPU-HUUCEWRRSA-N 0 3 337.489 1.970 20 70 EDIDHN CCOc1ncc(C(=O)NCC2CCN(CCO)CC2)cc1Cl ZINC000160537063 441893954 /nfs/dbraw/zinc/89/39/54/441893954.db2.gz TZAJZLCDWSBUGQ-UHFFFAOYSA-N 0 3 341.839 1.568 20 70 EDIDHN CNS(=O)(=O)c1ccc([C@H](C)N[C@H]2CCc3nc(C)nn3C2)cc1 ZINC000160555119 441896244 /nfs/dbraw/zinc/89/62/44/441896244.db2.gz NVSSKMCVBXBCDK-FZMZJTMJSA-N 0 3 349.460 1.160 20 70 EDIDHN C[C@H](C(=O)NCC1CCN(CCO)CC1)N1CCc2ccccc2C1 ZINC000160567538 441897980 /nfs/dbraw/zinc/89/79/80/441897980.db2.gz CAWBUAKFRPMWSM-MRXNPFEDSA-N 0 3 345.487 1.254 20 70 EDIDHN CCC(CC)(C[NH3+])C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000161207703 441972792 /nfs/dbraw/zinc/97/27/92/441972792.db2.gz XIXJLZJBUJDJRV-UHFFFAOYSA-N 0 3 333.432 1.442 20 70 EDIDHN CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)[C@H](C)N)CC2)cc1 ZINC000161254600 441977032 /nfs/dbraw/zinc/97/70/32/441977032.db2.gz SKLRKVXSWOHERC-UONOGXRCSA-N 0 3 333.432 1.034 20 70 EDIDHN CC(=O)N1CSC[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000161403056 441997011 /nfs/dbraw/zinc/99/70/11/441997011.db2.gz YSAAMYGUZZRAHW-HOTGVXAUSA-N 0 3 335.473 1.635 20 70 EDIDHN C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@H](N(C)C)C2)CC1 ZINC000161331725 441987635 /nfs/dbraw/zinc/98/76/35/441987635.db2.gz KWRKLMVUOPKZAL-QAPCUYQASA-N 0 3 345.491 1.953 20 70 EDIDHN CSC[C@](C)(O)CNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000159587521 206252391 /nfs/dbraw/zinc/25/23/91/206252391.db2.gz HOUGQMRQWVVXML-RHSMWYFYSA-N 0 3 339.505 1.920 20 70 EDIDHN CCc1cc2c(C[N@H+](C)CC(C)(CO)CO)cc(=O)oc2cc1[O-] ZINC000159568327 206252676 /nfs/dbraw/zinc/25/26/76/206252676.db2.gz OLMGFYUKPJQTBJ-UHFFFAOYSA-N 0 3 335.400 1.484 20 70 EDIDHN CCc1cc2c(C[N@@H+](C)CC(C)(CO)CO)cc(=O)oc2cc1[O-] ZINC000159568327 206252680 /nfs/dbraw/zinc/25/26/80/206252680.db2.gz OLMGFYUKPJQTBJ-UHFFFAOYSA-N 0 3 335.400 1.484 20 70 EDIDHN CCc1cc2c(CN(C)CC(C)(CO)CO)cc(=O)oc2cc1O ZINC000159568327 206252683 /nfs/dbraw/zinc/25/26/83/206252683.db2.gz OLMGFYUKPJQTBJ-UHFFFAOYSA-N 0 3 335.400 1.484 20 70 EDIDHN COc1ccc(Cl)cc1CC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160195897 206283357 /nfs/dbraw/zinc/28/33/57/206283357.db2.gz PKQOYTMDFNGSLQ-OAHLLOKOSA-N 0 3 340.851 1.854 20 70 EDIDHN CN(C)CCOc1ccccc1CNC(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000160301149 206289421 /nfs/dbraw/zinc/28/94/21/206289421.db2.gz SUVGJEXGKZULEU-DLBZAZTESA-N 0 3 349.475 1.929 20 70 EDIDHN CN(C)CCOc1ccccc1CNC(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000160301018 206290392 /nfs/dbraw/zinc/29/03/92/206290392.db2.gz SUVGJEXGKZULEU-SJORKVTESA-N 0 3 349.475 1.929 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1csc([C@@H]2CCCO2)n1 ZINC000160427453 206297452 /nfs/dbraw/zinc/29/74/52/206297452.db2.gz MBPIIKLUQSQALD-OCCSQVGLSA-N 0 3 339.461 1.571 20 70 EDIDHN O=C(CSc1nc2ccccc2o1)NC[C@H](O)CN1CCCCC1 ZINC000160700747 206310294 /nfs/dbraw/zinc/31/02/94/206310294.db2.gz ZNTFCBHWOMQQOP-ZDUSSCGKSA-N 0 3 349.456 1.883 20 70 EDIDHN CC(C)CC(=O)NCCC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000161277630 206338994 /nfs/dbraw/zinc/33/89/94/206338994.db2.gz LXCGBINXTHSAHQ-QGZVFWFLSA-N 0 3 333.476 1.828 20 70 EDIDHN CN(C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000161366159 276782926 /nfs/dbraw/zinc/78/29/26/276782926.db2.gz YNDZRTCLHJDFAQ-VHSXEESVSA-N 0 3 330.354 1.696 20 70 EDIDHN CCN1CCN(C[C@H](C)CNC(=O)c2cnn(CC(C)C)c2C)CC1 ZINC000159365304 441806838 /nfs/dbraw/zinc/80/68/38/441806838.db2.gz JWDUGTSWKYHEEQ-MRXNPFEDSA-N 0 3 349.523 1.851 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1CCCN1c1nccs1 ZINC000160582024 441898480 /nfs/dbraw/zinc/89/84/80/441898480.db2.gz WEKUKSXMHZXURO-KBPBESRZSA-N 0 3 338.477 1.075 20 70 EDIDHN CC(C)n1ccnc1CS(=O)(=O)C(C)C(=O)NC1CCCC1 ZINC000161218951 441973766 /nfs/dbraw/zinc/97/37/66/441973766.db2.gz XOFXRUCWXVCRJK-GFCCVEGCSA-N 0 3 327.450 1.826 20 70 EDIDHN CS[C@H](CO)[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000160881197 441931175 /nfs/dbraw/zinc/93/11/75/441931175.db2.gz KISQPDSWQHRCBF-VHDGCEQUSA-N 0 3 325.478 1.701 20 70 EDIDHN CCOc1ccc(CCC(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000159913197 206269647 /nfs/dbraw/zinc/26/96/47/206269647.db2.gz DDGBMZJKAKIDGC-QGZVFWFLSA-N 0 3 334.460 1.981 20 70 EDIDHN O=C(COc1ccccc1Cl)NC[C@H](O)CN1CCCCC1 ZINC000159956657 206271788 /nfs/dbraw/zinc/27/17/88/206271788.db2.gz BJIISZASZRSSJV-ZDUSSCGKSA-N 0 3 326.824 1.682 20 70 EDIDHN Cc1ccc(C(=O)CCC(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160004225 206274605 /nfs/dbraw/zinc/27/46/05/206274605.db2.gz HYAODKMINJUNPS-KRWDZBQOSA-N 0 3 332.444 1.921 20 70 EDIDHN COc1ccc(C(C)(C)C(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160654202 206307447 /nfs/dbraw/zinc/30/74/47/206307447.db2.gz DIAYFWSUYRAMCV-INIZCTEOSA-N 0 3 334.460 1.936 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cncn1-c1ccccc1 ZINC000160668646 206309181 /nfs/dbraw/zinc/30/91/81/206309181.db2.gz KFECGTRIWACAQE-MRXNPFEDSA-N 0 3 328.416 1.449 20 70 EDIDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cccc(=O)n1C ZINC000161505904 206353004 /nfs/dbraw/zinc/35/30/04/206353004.db2.gz CGWUUCIOZWUISZ-UHFFFAOYSA-N 0 3 331.391 1.728 20 70 EDIDHN NC(=O)[C@@H]1CCCN1C1CCN(CCOc2ccc(F)cc2)CC1 ZINC000159396982 441810526 /nfs/dbraw/zinc/81/05/26/441810526.db2.gz SNOYHUHLTSEMPC-KRWDZBQOSA-N 0 3 335.423 1.619 20 70 EDIDHN O=C(Cc1c[nH]c2ccc(F)cc12)NC[C@H](O)CN1CCCCC1 ZINC000160607784 441900470 /nfs/dbraw/zinc/90/04/70/441900470.db2.gz JPEZOZYHRHYJJY-HNNXBMFYSA-N 0 3 333.407 1.813 20 70 EDIDHN CCC(=O)Nc1cccc(C(=O)NCC2CCN(CCO)CC2)c1 ZINC000160711877 441913449 /nfs/dbraw/zinc/91/34/49/441913449.db2.gz LGMZMECEVZKINU-UHFFFAOYSA-N 0 3 333.432 1.469 20 70 EDIDHN C[C@@H](NC(=O)[C@@]1(F)CCNC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000160760426 441917650 /nfs/dbraw/zinc/91/76/50/441917650.db2.gz XBCBYBWCYAFHRX-YMTOWFKASA-N 0 3 332.372 1.108 20 70 EDIDHN CN(CC(=O)NC[C@@H](c1ccco1)N1CCCC1)[C@@H]1CCSC1 ZINC000160399319 441877894 /nfs/dbraw/zinc/87/78/94/441877894.db2.gz XYMWAHKPXDFTPU-CABCVRRESA-N 0 3 337.489 1.970 20 70 EDIDHN O=C(NCC1CCN(CCO)CC1)c1ccc(OC(F)F)cc1 ZINC000160552155 441896651 /nfs/dbraw/zinc/89/66/51/441896651.db2.gz PGURLIUGRYIABB-UHFFFAOYSA-N 0 3 328.359 1.722 20 70 EDIDHN COCCC1(CNC(=O)NC[C@@H](O)CN2CCC(C)CC2)CC1 ZINC000161026178 441947879 /nfs/dbraw/zinc/94/78/79/441947879.db2.gz SCTPZNOPSDRKLD-OAHLLOKOSA-N 0 3 327.469 1.195 20 70 EDIDHN CSCC[C@@H](N)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000159953128 533604701 /nfs/dbraw/zinc/60/47/01/533604701.db2.gz AIVYXONCSVIFID-VXGBXAGGSA-N 0 3 325.409 1.128 20 70 EDIDHN Cc1[nH]c2ccccc2c1CC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000159918480 533630699 /nfs/dbraw/zinc/63/06/99/533630699.db2.gz REDPCZUSEZISDQ-OAHLLOKOSA-N 0 3 329.444 1.982 20 70 EDIDHN C[NH+](C)C1(CNC(=O)NCc2ccc([O-])c(F)c2)CCOCC1 ZINC000159958743 225310478 /nfs/dbraw/zinc/31/04/78/225310478.db2.gz QVNHOPOGZAHGCO-UHFFFAOYSA-N 0 3 325.384 1.441 20 70 EDIDHN COc1cc(C)c(C(=O)NC[C@@H](O)CN2CCCCC2)cc1OC ZINC000160077426 267499551 /nfs/dbraw/zinc/49/95/51/267499551.db2.gz PEFUIOJYEJRJNF-CQSZACIVSA-N 0 3 336.432 1.589 20 70 EDIDHN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)C[C@H]2CNCCO2)cc1 ZINC000161252693 272930668 /nfs/dbraw/zinc/93/06/68/272930668.db2.gz VOJUMTPOPOZKDP-OALUTQOASA-N 0 3 346.471 1.924 20 70 EDIDHN C[C@@H](CN1CCCCC1)NC(=O)N1CCCN(CC(F)F)CC1 ZINC000160321487 441872680 /nfs/dbraw/zinc/87/26/80/441872680.db2.gz GRUIDWCXIUCROI-AWEZNQCLSA-N 0 3 332.439 1.843 20 70 EDIDHN CCN1CCN(c2ccccc2CN2CCC(CC(N)=O)CC2)CC1 ZINC000159814410 441839787 /nfs/dbraw/zinc/83/97/87/441839787.db2.gz XIUZRTASLSGJCZ-UHFFFAOYSA-N 0 3 344.503 1.916 20 70 EDIDHN O=C(CCc1cccc(F)c1F)NCC1CCN(CCO)CC1 ZINC000160727671 441914878 /nfs/dbraw/zinc/91/48/78/441914878.db2.gz ASNHFTSCZZXPQF-UHFFFAOYSA-N 0 3 326.387 1.718 20 70 EDIDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160394187 441876679 /nfs/dbraw/zinc/87/66/79/441876679.db2.gz GNIWMLRFICGCBF-IKGGRYGDSA-N 0 3 339.480 1.696 20 70 EDIDHN CCN(CCNC(=O)C(=O)Nc1ccn(CCC(C)C)n1)C1CC1 ZINC000160423307 441880629 /nfs/dbraw/zinc/88/06/29/441880629.db2.gz LTTVBBOGGUYLDW-UHFFFAOYSA-N 0 3 335.452 1.468 20 70 EDIDHN C[C@H](NCC(=O)NCC(F)(F)F)c1ccc(OCCN(C)C)cc1 ZINC000160522791 441893035 /nfs/dbraw/zinc/89/30/35/441893035.db2.gz XLDVPYDAGUQQCG-LBPRGKRZSA-N 0 3 347.381 1.956 20 70 EDIDHN NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2cccc(CN3CCCC3)c2)O1 ZINC000161196926 441971578 /nfs/dbraw/zinc/97/15/78/441971578.db2.gz XUMPFHORIVYABT-HOTGVXAUSA-N 0 3 331.416 1.045 20 70 EDIDHN CNC(=O)NC(=O)[C@H](C)N(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161237653 441975839 /nfs/dbraw/zinc/97/58/39/441975839.db2.gz RKOBIBPTYAPZQB-ZDUSSCGKSA-N 0 3 343.431 1.785 20 70 EDIDHN CN(C)C(=O)COc1ccc(NC(=O)[C@H]2CCCCN2)cc1Cl ZINC000160959223 441941644 /nfs/dbraw/zinc/94/16/44/441941644.db2.gz PVSHIORJWFXLPY-CYBMUJFWSA-N 0 3 339.823 1.888 20 70 EDIDHN CN(C)C[C@@](C)(O)CNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000161449949 442001026 /nfs/dbraw/zinc/00/10/26/442001026.db2.gz QPCNTSODAOLRDT-INIZCTEOSA-N 0 3 326.462 1.156 20 70 EDIDHN CN1CCC(NC(=O)C=CC(=O)Nc2ccc3n[nH]cc3c2)CC1 ZINC000161290481 441980558 /nfs/dbraw/zinc/98/05/58/441980558.db2.gz SQFHPXYFYSCDEQ-SNAWJCMRSA-N 0 3 327.388 1.268 20 70 EDIDHN COCCN1CCC(NC(=O)NC[C@@H](C)c2c(C)noc2C)CC1 ZINC000159729460 318420951 /nfs/dbraw/zinc/42/09/51/318420951.db2.gz PVLPVHITUVEOAD-GFCCVEGCSA-N 0 3 338.452 1.805 20 70 EDIDHN C[C@@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@@H]1CO ZINC000159442839 287345991 /nfs/dbraw/zinc/34/59/91/287345991.db2.gz PHIBYXUDTILWTK-BPQIPLTHSA-N 0 3 333.476 1.498 20 70 EDIDHN CN(C)[C@@H](CNC(=O)CN1CCc2n[nH]cc2C1)c1ccccc1 ZINC000159597169 225246248 /nfs/dbraw/zinc/24/62/48/225246248.db2.gz NWRHQMOESCKBKL-KRWDZBQOSA-N 0 3 327.432 1.187 20 70 EDIDHN O=C(COc1ccc2c(c1)CCCC2)NC[C@@H](O)CN1CCCCC1 ZINC000160061901 225330606 /nfs/dbraw/zinc/33/06/06/225330606.db2.gz UNTLUTVZXGDXNU-GOSISDBHSA-N 0 3 346.471 1.907 20 70 EDIDHN COc1ccc(CNC(=O)CNC2CCN(CC(F)F)CC2)cc1 ZINC000160983427 302925059 /nfs/dbraw/zinc/92/50/59/302925059.db2.gz DGLAEAZMDBMNPD-UHFFFAOYSA-N 0 3 341.402 1.631 20 70 EDIDHN CCCc1noc(CCCC(=O)NC[C@@H](O)CN2CCCCC2)n1 ZINC000160245566 441867569 /nfs/dbraw/zinc/86/75/69/441867569.db2.gz BJHDLUXRHAZHGL-CQSZACIVSA-N 0 3 338.452 1.308 20 70 EDIDHN C[C@@H]1C[C@@H](NC(=O)N2CCC3(C2)OCCO3)CN1Cc1ccccc1 ZINC000160324752 441872908 /nfs/dbraw/zinc/87/29/08/441872908.db2.gz ZQQHXNSCUKDAQK-NVXWUHKLSA-N 0 3 345.443 1.808 20 70 EDIDHN CCN1CCCN(C(=O)N[C@H]2CCC[C@H](C(=O)NC(C)C)C2)CC1 ZINC000159870335 441843382 /nfs/dbraw/zinc/84/33/82/441843382.db2.gz BHLWALNZLPQEJD-HOTGVXAUSA-N 0 3 338.496 1.807 20 70 EDIDHN O=C(N[C@H]1CCN(CC2CC2)C1)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000160614853 441902051 /nfs/dbraw/zinc/90/20/51/441902051.db2.gz FXCSRAMXPGTLAA-IRXDYDNUSA-N 0 3 342.443 1.353 20 70 EDIDHN CC[S@](=O)c1ccccc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160643299 441904203 /nfs/dbraw/zinc/90/42/03/441904203.db2.gz UUVZDSAXYXYFCT-LFVRLGFBSA-N 0 3 338.473 1.391 20 70 EDIDHN COc1ccccc1[C@@H]1C[C@H]1C(=O)NCC1CCN(CCO)CC1 ZINC000160656251 441905752 /nfs/dbraw/zinc/90/57/52/441905752.db2.gz OJUDDIMJZISLTP-DLBZAZTESA-N 0 3 332.444 1.619 20 70 EDIDHN C[C@]1(O)CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000160486236 441888487 /nfs/dbraw/zinc/88/84/87/441888487.db2.gz JQOOOLDDOJJZEA-INIZCTEOSA-N 0 3 341.521 1.904 20 70 EDIDHN CN(C)C(=O)CN(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160506038 441890023 /nfs/dbraw/zinc/89/00/23/441890023.db2.gz RGTITXOXXBWEHP-PBWFPOADSA-N 0 3 325.453 1.937 20 70 EDIDHN COc1cccc([C@@H]2C[C@H]2C(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160539384 441893505 /nfs/dbraw/zinc/89/35/05/441893505.db2.gz IBISEKGGTKJDIN-RYQLBKOJSA-N 0 3 332.444 1.762 20 70 EDIDHN CCC(=O)Nc1cccc(C(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160569025 441897601 /nfs/dbraw/zinc/89/76/01/441897601.db2.gz GVNKJRJBKPQRDG-INIZCTEOSA-N 0 3 333.432 1.612 20 70 EDIDHN C[C@]1(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CCC[NH2+]C1 ZINC000161424969 441998431 /nfs/dbraw/zinc/99/84/31/441998431.db2.gz KHRQNXJIHKHTCY-SFHVURJKSA-N 0 3 331.416 1.066 20 70 EDIDHN C[C@H](N)C(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000161330182 441986075 /nfs/dbraw/zinc/98/60/75/441986075.db2.gz MYMYZYCGJSXJEI-AWEZNQCLSA-N 0 3 329.444 1.763 20 70 EDIDHN C[C@@H]1C[C@H](N(C)S(=O)(=O)N(C)C)CCN1Cc1ccccc1 ZINC000160006239 533896895 /nfs/dbraw/zinc/89/68/95/533896895.db2.gz NOEGXXVODMXFBM-GDBMZVCRSA-N 0 3 325.478 1.778 20 70 EDIDHN COC(=O)[C@@H](C)Oc1ccc(CN2CCC(CC(N)=O)CC2)cc1 ZINC000159834092 534232312 /nfs/dbraw/zinc/23/23/12/534232312.db2.gz MFDYWRRJQHRFDN-CYBMUJFWSA-N 0 3 334.416 1.714 20 70 EDIDHN Cn1c(Cl)c(Cl)cc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160326657 534696021 /nfs/dbraw/zinc/69/60/21/534696021.db2.gz DXQYPNZHHFWDEQ-SNVBAGLBSA-N 0 3 334.247 1.909 20 70 EDIDHN CC(=O)N1CCc2cc(C(=O)NC[C@@H](O)CN3CCCCC3)ccc21 ZINC000160280158 526670020 /nfs/dbraw/zinc/67/00/20/526670020.db2.gz ZLCZKHJTKKFMBQ-QGZVFWFLSA-N 0 3 345.443 1.172 20 70 EDIDHN Cc1cccn2c(=O)cc(CN3CCN(c4ccncc4)CC3)nc12 ZINC000161396346 540033931 /nfs/dbraw/zinc/03/39/31/540033931.db2.gz WMFPQRNEUUUBBI-UHFFFAOYSA-N 0 3 335.411 1.720 20 70 EDIDHN C[C@H](CNC(=O)N1CCc2cccc(F)c2C1)CN1CCN(C)CC1 ZINC000159745797 225270313 /nfs/dbraw/zinc/27/03/13/225270313.db2.gz QAZZMBUXFYZZBK-OAHLLOKOSA-N 0 3 348.466 1.777 20 70 EDIDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@H]1CCC[C@@H]1O ZINC000159998761 225316326 /nfs/dbraw/zinc/31/63/26/225316326.db2.gz JILCMIBVMIFNHQ-UBDQQSCGSA-N 0 3 331.460 1.967 20 70 EDIDHN O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000160115108 225342146 /nfs/dbraw/zinc/34/21/46/225342146.db2.gz UGLNGHRBEPDCAY-NSHDSACASA-N 0 3 341.408 1.347 20 70 EDIDHN C[C@H](C(=O)NC(C)(C)CCS(C)(=O)=O)[C@H](N)c1ccccc1 ZINC000161035208 289338476 /nfs/dbraw/zinc/33/84/76/289338476.db2.gz JSBXIQYDEDBYDO-JSGCOSHPSA-N 0 3 326.462 1.652 20 70 EDIDHN COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N2CCC[C@H]2CN)cc1 ZINC000160182867 295186763 /nfs/dbraw/zinc/18/67/63/295186763.db2.gz UYIWCHDMGMYMGI-OLZOCXBDSA-N 0 3 340.445 1.055 20 70 EDIDHN Cc1ccccc1NC(=O)CN1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000159407407 441809576 /nfs/dbraw/zinc/80/95/76/441809576.db2.gz HHJJZSMKIPOFBC-KRWDZBQOSA-N 0 3 344.459 1.348 20 70 EDIDHN CN1CCN(CCCCNC(=O)N2CCOC3(CCCC3)C2)CC1 ZINC000160069407 441857734 /nfs/dbraw/zinc/85/77/34/441857734.db2.gz XCYMVZXDUWXKLB-UHFFFAOYSA-N 0 3 338.496 1.369 20 70 EDIDHN O=C(CCc1cccc(F)c1F)NC[C@@H](O)CN1CCCCC1 ZINC000160323156 441872695 /nfs/dbraw/zinc/87/26/95/441872695.db2.gz REUPOSMXJSOESB-CQSZACIVSA-N 0 3 326.387 1.860 20 70 EDIDHN CCN1CCC(NC(=O)CN(CCc2nccs2)C(C)C)CC1 ZINC000159872798 441844376 /nfs/dbraw/zinc/84/43/76/441844376.db2.gz PDTFLYCBPNIFCU-UHFFFAOYSA-N 0 3 338.521 1.997 20 70 EDIDHN C[C@H](C(=O)NC[C@H](O)CN1CCCCC1)N1CCc2ccccc2C1 ZINC000159943191 441850047 /nfs/dbraw/zinc/85/00/47/441850047.db2.gz KHXKNYHIULZINS-APWZRJJASA-N 0 3 345.487 1.396 20 70 EDIDHN CCCN1CCCN(C(=O)NCc2c(CC)c(CC)n[nH]c2=O)CC1 ZINC000160388017 441876660 /nfs/dbraw/zinc/87/66/60/441876660.db2.gz VHEWDNNSTHSEFV-UHFFFAOYSA-N 0 3 349.479 1.522 20 70 EDIDHN CCCN1CCCN(C(=O)CN2c3ccccc3O[C@@H](C)C2=O)CC1 ZINC000160405570 441878169 /nfs/dbraw/zinc/87/81/69/441878169.db2.gz AUHNFVONEZTSFC-HNNXBMFYSA-N 0 3 345.443 1.745 20 70 EDIDHN C[C@@H](NCC(=O)NCC(F)(F)F)c1cccc(OCCN(C)C)c1 ZINC000160547645 441895539 /nfs/dbraw/zinc/89/55/39/441895539.db2.gz FVKLUJLXSWCIDL-GFCCVEGCSA-N 0 3 347.381 1.956 20 70 EDIDHN CNS(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCc3nc(C)nn3C2)cc1 ZINC000160554971 441896136 /nfs/dbraw/zinc/89/61/36/441896136.db2.gz NVSSKMCVBXBCDK-SMDDNHRTSA-N 0 3 349.460 1.160 20 70 EDIDHN COc1cc(C)ccc1OCC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160552607 441896789 /nfs/dbraw/zinc/89/67/89/441896789.db2.gz CIQAMLZCVZYTHA-OAHLLOKOSA-N 0 3 336.432 1.345 20 70 EDIDHN COC(=O)Cn1cc(CCN(C)[C@H](C)c2sc(C)nc2C)nn1 ZINC000160062149 533787778 /nfs/dbraw/zinc/78/77/78/533787778.db2.gz SXIKKMQOBWWGNZ-LLVKDONJSA-N 0 3 337.449 1.760 20 70 EDIDHN CC(C)CN1CCC[C@@H]1CNS(=O)(=O)c1cnn(C(C)C)c1 ZINC000160276894 527982124 /nfs/dbraw/zinc/98/21/24/527982124.db2.gz SWWRJEABJZKPHR-CQSZACIVSA-N 0 3 328.482 1.863 20 70 EDIDHN COC(=O)C1(N(C)C[C@H]2CCCN(S(C)(=O)=O)C2)CCCC1 ZINC000159497824 277049934 /nfs/dbraw/zinc/04/99/34/277049934.db2.gz FKMYIVUXDDDQIC-CYBMUJFWSA-N 0 3 332.466 1.076 20 70 EDIDHN CN(C)CCN(CCN(C)C)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000160393951 302922244 /nfs/dbraw/zinc/92/22/44/302922244.db2.gz PFZJRMXCYYIUDA-HZPDHXFCSA-N 0 3 326.485 1.079 20 70 EDIDHN CC(C(=O)N(C)C)S(=O)(=O)Cc1noc(C2CCCCC2)n1 ZINC000159415915 441811112 /nfs/dbraw/zinc/81/11/12/441811112.db2.gz QMJZMUGARKNPJI-SNVBAGLBSA-N 0 3 329.422 1.509 20 70 EDIDHN CN(C)[C@@H](CNC(=O)CN(C)C[C@H](O)C(F)(F)F)c1ccccc1 ZINC000160258661 441868601 /nfs/dbraw/zinc/86/86/01/441868601.db2.gz IGEVAMCSZPOWKQ-KBPBESRZSA-N 0 3 347.381 1.261 20 70 EDIDHN CCOC(=O)C1CCN(C(=O)[C@H](C)N(C)C[C@@H]2CCC[C@@H]2O)CC1 ZINC000159648819 441827894 /nfs/dbraw/zinc/82/78/94/441827894.db2.gz LSEMQWWROLJVFN-BPUTZDHNSA-N 0 3 340.464 1.269 20 70 EDIDHN CCC(CC)(CNCC(=O)N1CCO[C@H]2CCCC[C@H]21)C(=O)OC ZINC000159672701 441828597 /nfs/dbraw/zinc/82/85/97/441828597.db2.gz KKSHBNOPCXPQIN-CABCVRRESA-N 0 3 340.464 1.725 20 70 EDIDHN CN(C)Cc1cccc(CNC(=O)NC[C@@H]2CCCS2(=O)=O)c1 ZINC000159906272 441845842 /nfs/dbraw/zinc/84/58/42/441845842.db2.gz DVGUTCFFPNTWTE-HNNXBMFYSA-N 0 3 339.461 1.125 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1ncoc1-c1ccccc1 ZINC000159907193 441846067 /nfs/dbraw/zinc/84/60/67/441846067.db2.gz AHMGJRICOMWBBF-HNNXBMFYSA-N 0 3 329.400 1.918 20 70 EDIDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCN(C2CC2)CC1 ZINC000160020374 441854609 /nfs/dbraw/zinc/85/46/09/441854609.db2.gz OGWDQVXMUFUGMD-LPHOPBHVSA-N 0 3 342.487 1.997 20 70 EDIDHN O=C(Nc1cnn(C[C@@H]2CCCO2)c1)N[C@H]1CCN(CC2CC2)C1 ZINC000160737378 441915304 /nfs/dbraw/zinc/91/53/04/441915304.db2.gz JUMGTHUDQFCPMH-HOCLYGCPSA-N 0 3 333.436 1.668 20 70 EDIDHN CN(C)CCN(C(=O)NCCCCN1CCOCC1)C1CCCC1 ZINC000160389976 441876431 /nfs/dbraw/zinc/87/64/31/441876431.db2.gz UNRLKWJUBFAEQC-UHFFFAOYSA-N 0 3 340.512 1.615 20 70 EDIDHN CC(C)CCn1ccc(NC(=O)C(=O)NC[C@H](C)N(C)C2CC2)n1 ZINC000160430141 441881856 /nfs/dbraw/zinc/88/18/56/441881856.db2.gz DAYFKFRTZNMKPC-ZDUSSCGKSA-N 0 3 335.452 1.467 20 70 EDIDHN CCc1noc(C)c1NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000160521026 441892457 /nfs/dbraw/zinc/89/24/57/441892457.db2.gz IBBIQXINKACXLJ-LBPRGKRZSA-N 0 3 334.420 1.617 20 70 EDIDHN CN(CCN1CCCC1)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000160871296 441930193 /nfs/dbraw/zinc/93/01/93/441930193.db2.gz UYEDLWKPIOETSO-UHFFFAOYSA-N 0 3 333.358 1.676 20 70 EDIDHN Cc1[nH]c(=O)ccc1C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000161112867 441959477 /nfs/dbraw/zinc/95/94/77/441959477.db2.gz UJIGWBBWEDZTTN-UHFFFAOYSA-N 0 3 340.427 1.928 20 70 EDIDHN CC(C)c1nc2n(n1)C[C@H](NC(=O)N(C)C[C@H]1CCCN(C)C1)CC2 ZINC000161504128 442005588 /nfs/dbraw/zinc/00/55/88/442005588.db2.gz JLJAWTVFNCVOSS-LSDHHAIUSA-N 0 3 348.495 1.700 20 70 EDIDHN C[C@@H]1C[C@H](NC(=O)N2CCC(C(N)=O)CC2)CN1Cc1ccccc1 ZINC000160123117 533919746 /nfs/dbraw/zinc/91/97/46/533919746.db2.gz MGELAOBICGCLPB-PBHICJAKSA-N 0 3 344.459 1.556 20 70 EDIDHN CCc1noc(C)c1NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000160164284 540020775 /nfs/dbraw/zinc/02/07/75/540020775.db2.gz XUSNVBKGMNIKQR-UHFFFAOYSA-N 0 3 343.387 1.228 20 70 EDIDHN COC1CCN(CCNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160320795 540022456 /nfs/dbraw/zinc/02/24/56/540022456.db2.gz ADWJSWWDDDKLDD-HOCLYGCPSA-N 0 3 325.453 1.354 20 70 EDIDHN C[C@@H](NCCN1C(=O)CNC1=O)c1ccc(Br)s1 ZINC000159968574 533393763 /nfs/dbraw/zinc/39/37/63/533393763.db2.gz KWNVLEUWGHJXKV-SSDOTTSWSA-N 0 3 332.223 1.713 20 70 EDIDHN COC(=O)CCCOc1ccc(CNC(=O)[C@H]2CCCCN2)cc1 ZINC000160162130 533394338 /nfs/dbraw/zinc/39/43/38/533394338.db2.gz RYZIDRCURYWQRC-MRXNPFEDSA-N 0 3 334.416 1.777 20 70 EDIDHN CN(C)[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)C1 ZINC000159605262 225249081 /nfs/dbraw/zinc/24/90/81/225249081.db2.gz AXHITWNGCOLFIQ-QWHCGFSZSA-N 0 3 337.855 1.659 20 70 EDIDHN O=C(Cc1ccc(F)cc1Cl)NC[C@@H](O)CN1CCCCC1 ZINC000160253361 225370715 /nfs/dbraw/zinc/37/07/15/225370715.db2.gz ZFSOZMZVPSTKGG-CQSZACIVSA-N 0 3 328.815 1.985 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1cnn(-c2ccccc2F)c1 ZINC000160211030 441864850 /nfs/dbraw/zinc/86/48/50/441864850.db2.gz CMPAMNSVKOMTLF-HNNXBMFYSA-N 0 3 346.406 1.588 20 70 EDIDHN C[C@H](C(=O)NC[C@@H](O)CN1CCCCC1)N1CCc2ccccc2C1 ZINC000159943419 441848986 /nfs/dbraw/zinc/84/89/86/441848986.db2.gz KHXKNYHIULZINS-VQIMIIECSA-N 0 3 345.487 1.396 20 70 EDIDHN CCN1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000160011739 441853737 /nfs/dbraw/zinc/85/37/37/441853737.db2.gz LZLYBDYCLGYMLG-FUHWJXTLSA-N 0 3 330.476 1.854 20 70 EDIDHN O=C(/C=C/c1cnc2ccccc2n1)NC[C@@H](O)CN1CCCCC1 ZINC000160606587 441901047 /nfs/dbraw/zinc/90/10/47/441901047.db2.gz LEDCPHMDKSIVHL-ROJDOSBLSA-N 0 3 340.427 1.606 20 70 EDIDHN CCOC(=O)C[C@H](C)NC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000160707466 441911520 /nfs/dbraw/zinc/91/15/20/441911520.db2.gz SAPKRZYIENALAH-HNNXBMFYSA-N 0 3 347.459 1.900 20 70 EDIDHN Cc1cccc(CN2CCC(NC(=O)C3(NC(N)=O)CC3)CC2)c1 ZINC000160707432 441911741 /nfs/dbraw/zinc/91/17/41/441911741.db2.gz WPOJIFWRZZAFRI-UHFFFAOYSA-N 0 3 330.432 1.277 20 70 EDIDHN COc1ccc(C(F)(F)C(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000160429320 441881366 /nfs/dbraw/zinc/88/13/66/441881366.db2.gz IZVNCLOKVOHLPS-CQSZACIVSA-N 0 3 342.386 1.750 20 70 EDIDHN Cc1cc(Br)oc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160519839 441891769 /nfs/dbraw/zinc/89/17/69/441891769.db2.gz IQUSELDZQBKSIU-LLVKDONJSA-N 0 3 345.237 1.927 20 70 EDIDHN NC(=O)[C@@H]1CC[C@H](CNC(=O)c2cccc(CN3CCCC3)c2)O1 ZINC000161197036 441971110 /nfs/dbraw/zinc/97/11/10/441971110.db2.gz XUMPFHORIVYABT-CVEARBPZSA-N 0 3 331.416 1.045 20 70 EDIDHN Cn1cc(CNC(=O)N2CC[C@H](N3CC=CC3)C2)c(C(F)(F)F)n1 ZINC000160889990 441932145 /nfs/dbraw/zinc/93/21/45/441932145.db2.gz MUUZTUOIXXDCKI-LBPRGKRZSA-N 0 3 343.353 1.595 20 70 EDIDHN C[C@@]1(c2cccc(NC(=O)[C@@]3(C)CCC[NH2+]C3)c2)NC(=O)[N-]C1=O ZINC000161413361 441996294 /nfs/dbraw/zinc/99/62/94/441996294.db2.gz FGWINQZYNQYZAX-IRXDYDNUSA-N 0 3 330.388 1.069 20 70 EDIDHN COc1ccc(Cl)cc1NC(=O)CCN(C)CC(C)(CO)CO ZINC000159584617 533868972 /nfs/dbraw/zinc/86/89/72/533868972.db2.gz IWWDQNVZAYGNNM-UHFFFAOYSA-N 0 3 344.839 1.600 20 70 EDIDHN COc1cc(F)c(S(=O)(=O)[N-][C@](C)(C[NH3+])CC(C)C)cc1OC ZINC000160162814 533986835 /nfs/dbraw/zinc/98/68/35/533986835.db2.gz KTTAMZVZQNKGHY-HNNXBMFYSA-N 0 3 348.440 1.885 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(Cn2ccnc2)cc1 ZINC000159996764 534537533 /nfs/dbraw/zinc/53/75/33/534537533.db2.gz FKCLTAHVHBNKQS-GOSISDBHSA-N 0 3 342.443 1.508 20 70 EDIDHN O=C(COc1ccc(F)cc1Cl)NC[C@@H](O)CN1CCCCC1 ZINC000159979399 534622784 /nfs/dbraw/zinc/62/27/84/534622784.db2.gz SHMKFNKQUVARHZ-CYBMUJFWSA-N 0 3 344.814 1.821 20 70 EDIDHN Cc1ccc(C(=O)CCC(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000160004352 225317969 /nfs/dbraw/zinc/31/79/69/225317969.db2.gz HYAODKMINJUNPS-QGZVFWFLSA-N 0 3 332.444 1.921 20 70 EDIDHN O=C(Cc1ccccc1OC(F)F)NC[C@@H](O)CN1CCCCC1 ZINC000160008437 225318273 /nfs/dbraw/zinc/31/82/73/225318273.db2.gz ISLXQXQLPXKNOW-CQSZACIVSA-N 0 3 342.386 1.794 20 70 EDIDHN O=C(N[C@@H]1CCN(c2ccccn2)C1)c1cccc(-c2nnc[nH]2)c1 ZINC000160136209 225345391 /nfs/dbraw/zinc/34/53/91/225345391.db2.gz OHTRGVQTBYCNMQ-OAHLLOKOSA-N 0 3 334.383 1.875 20 70 EDIDHN COCCc1noc(CN(C)C(=O)NCCN2CCC[C@H](C)C2)n1 ZINC000160275076 441869718 /nfs/dbraw/zinc/86/97/18/441869718.db2.gz ITNFSFOGUHJMNS-ZDUSSCGKSA-N 0 3 339.440 1.132 20 70 EDIDHN CSC[C@@H](CCO)N[C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000160264994 441870134 /nfs/dbraw/zinc/87/01/34/441870134.db2.gz QEQFBFSAIHWBPD-BXUZGUMPSA-N 0 3 332.491 1.823 20 70 EDIDHN CCN1CCN(C[C@@H](C)CNC(=O)NCc2ncccc2F)CC1 ZINC000159680247 441829113 /nfs/dbraw/zinc/82/91/13/441829113.db2.gz WNNPOOYFCNLTDJ-AWEZNQCLSA-N 0 3 337.443 1.294 20 70 EDIDHN Cc1nc(CCCC(=O)NC[C@H](O)CN2CCCCC2)cs1 ZINC000159954840 441849919 /nfs/dbraw/zinc/84/99/19/441849919.db2.gz NPRLYRLYUMJXRI-HNNXBMFYSA-N 0 3 325.478 1.737 20 70 EDIDHN C[C@@H](NCC(C)(C)O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000160598890 441900970 /nfs/dbraw/zinc/90/09/70/441900970.db2.gz SDCDATMLDOHPHE-CYBMUJFWSA-N 0 3 342.461 1.129 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000160690554 441909564 /nfs/dbraw/zinc/90/95/64/441909564.db2.gz CZVNMWCXGZASAS-DOTOQJQBSA-N 0 3 349.406 1.282 20 70 EDIDHN Cc1conc1NC(=O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000160382445 441875348 /nfs/dbraw/zinc/87/53/48/441875348.db2.gz OZQAFTNIUGWFKP-UHFFFAOYSA-N 0 3 346.387 1.178 20 70 EDIDHN CCN(C)C(=O)c1cccc(C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160512209 441891162 /nfs/dbraw/zinc/89/11/62/441891162.db2.gz BKKLPHBDDUUKJL-QGZVFWFLSA-N 0 3 347.459 1.355 20 70 EDIDHN O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@H]1CCC[NH2+]C1 ZINC000161344129 441988886 /nfs/dbraw/zinc/98/88/86/441988886.db2.gz RKPYUWVUCTXMQE-JTQLQIEISA-N 0 3 341.408 1.205 20 70 EDIDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cccc(=O)n1C ZINC000161500207 442005643 /nfs/dbraw/zinc/00/56/43/442005643.db2.gz GLDALFJSSZEPOA-UHFFFAOYSA-N 0 3 331.391 1.728 20 70 EDIDHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000161466969 501052016 /nfs/dbraw/zinc/05/20/16/501052016.db2.gz RPJUTRQAKNWMCK-IBGZPJMESA-N 0 3 345.487 1.880 20 70 EDIDHN COC(=O)Cn1cc(CCN(C)CCOc2ccc(F)cc2)nn1 ZINC000160327973 533786351 /nfs/dbraw/zinc/78/63/51/533786351.db2.gz IFEIZTSXKVSZBX-UHFFFAOYSA-N 0 3 336.367 1.144 20 70 EDIDHN CCC(=O)N1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000159489083 528365398 /nfs/dbraw/zinc/36/53/98/528365398.db2.gz OPFVXDHKAVKVFK-IRXDYDNUSA-N 0 3 331.460 1.534 20 70 EDIDHN CCC(CC)(CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)C(=O)OC ZINC000160007212 528681483 /nfs/dbraw/zinc/68/14/83/528681483.db2.gz XMVRVVAEDYVJPO-STQMWFEESA-N 0 3 325.453 1.890 20 70 EDIDHN CCc1n[nH]c(=O)c(CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1CC ZINC000160357118 529696342 /nfs/dbraw/zinc/69/63/42/529696342.db2.gz BTKFRPCAPRUVBA-CHWSQXEVSA-N 0 3 349.479 1.519 20 70 EDIDHN C[C@H](c1nc(C(C)(C)C)no1)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000159426755 540009518 /nfs/dbraw/zinc/00/95/18/540009518.db2.gz AXQLMOSZLXVHIZ-TZMCWYRMSA-N 0 3 349.479 1.842 20 70 EDIDHN CC(C)N(CCc1nccs1)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000159779408 540013817 /nfs/dbraw/zinc/01/38/17/540013817.db2.gz ZSBZVXNRDFSGCQ-XHSDSOJGSA-N 0 3 341.521 1.866 20 70 EDIDHN O=C(C[C@@H]1OCCc2ccccc21)NC[C@H](O)CN1CCCCC1 ZINC000160134663 225345692 /nfs/dbraw/zinc/34/56/92/225345692.db2.gz MBFUXWVFZAVLRG-WMZOPIPTSA-N 0 3 332.444 1.654 20 70 EDIDHN Cc1c2ccccc2oc(=O)c1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160434336 280271081 /nfs/dbraw/zinc/27/10/81/280271081.db2.gz BTZIPRMGAVPAJM-CQSZACIVSA-N 0 3 344.411 1.678 20 70 EDIDHN C[C@H](C(=O)NC(=O)NCc1ccccc1)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159497289 441817108 /nfs/dbraw/zinc/81/71/08/441817108.db2.gz CTNCIZVFGZSZEB-KBMXLJTQSA-N 0 3 333.432 1.494 20 70 EDIDHN CN(C)CCN1CCC(NC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000159544144 441820015 /nfs/dbraw/zinc/82/00/15/441820015.db2.gz NMCMOTUYDPMWHJ-SJORKVTESA-N 0 3 338.496 1.269 20 70 EDIDHN COc1ccc(CN2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1F ZINC000159397714 441809198 /nfs/dbraw/zinc/80/91/98/441809198.db2.gz GSDWILXDHUFKQT-INIZCTEOSA-N 0 3 335.423 1.748 20 70 EDIDHN COc1ccc(Cl)cc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160153545 441862827 /nfs/dbraw/zinc/86/28/27/441862827.db2.gz KVUYOWNLJYXBCK-CYBMUJFWSA-N 0 3 326.824 1.925 20 70 EDIDHN Cc1nnc(-c2cccc(C(=O)NC[C@@H](O)CN3CCCCC3)c2)o1 ZINC000160205947 441864873 /nfs/dbraw/zinc/86/48/73/441864873.db2.gz NCGMDXKSEVZREW-MRXNPFEDSA-N 0 3 344.415 1.622 20 70 EDIDHN CCC(CC)(CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)C(=O)OC ZINC000160007072 441854403 /nfs/dbraw/zinc/85/44/03/441854403.db2.gz XMVRVVAEDYVJPO-QWHCGFSZSA-N 0 3 325.453 1.890 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1cccc(-n2cccn2)c1 ZINC000160035411 441856110 /nfs/dbraw/zinc/85/61/10/441856110.db2.gz PPFXOPBLLKFJRD-KRWDZBQOSA-N 0 3 328.416 1.449 20 70 EDIDHN O=C(CCc1nc(-c2ccco2)no1)NCC1CCN(CCO)CC1 ZINC000160641890 441904290 /nfs/dbraw/zinc/90/42/90/441904290.db2.gz GCQYNJCJFRZVRP-UHFFFAOYSA-N 0 3 348.403 1.083 20 70 EDIDHN O=C(Nc1cnn(C[C@H]2CCCO2)c1)N[C@@H]1CCN(CC2CC2)C1 ZINC000160737302 441915854 /nfs/dbraw/zinc/91/58/54/441915854.db2.gz JUMGTHUDQFCPMH-GDBMZVCRSA-N 0 3 333.436 1.668 20 70 EDIDHN Cc1conc1NC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000160817029 441924477 /nfs/dbraw/zinc/92/44/77/441924477.db2.gz LGDVKAYGVQQAIW-UHFFFAOYSA-N 0 3 348.378 1.651 20 70 EDIDHN CCCN1CCCN(C(=O)CN2C(=O)NC(CC)(CC)C2=O)CC1 ZINC000160403315 441877616 /nfs/dbraw/zinc/87/76/16/441877616.db2.gz OYDNHHKPDGQBPD-UHFFFAOYSA-N 0 3 338.452 1.041 20 70 EDIDHN COc1nc(C(=O)NCC2CCN(CCO)CC2)cc2ccccc21 ZINC000160586480 441898614 /nfs/dbraw/zinc/89/86/14/441898614.db2.gz FVSOQNCGADEOKI-UHFFFAOYSA-N 0 3 343.427 1.678 20 70 EDIDHN CSCC[C@@H](N)C(=O)NC[C@@H](O)c1cccc(OC(C)C)c1 ZINC000160964921 441941678 /nfs/dbraw/zinc/94/16/78/441941678.db2.gz CUOONAPCVHBZIZ-HUUCEWRRSA-N 0 3 326.462 1.704 20 70 EDIDHN COCCC1(CNC(=O)NC[C@H](O)CN2CCC(C)CC2)CC1 ZINC000161026300 441947456 /nfs/dbraw/zinc/94/74/56/441947456.db2.gz SCTPZNOPSDRKLD-HNNXBMFYSA-N 0 3 327.469 1.195 20 70 EDIDHN Cc1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)cc1C ZINC000161415026 441997059 /nfs/dbraw/zinc/99/70/59/441997059.db2.gz AVNUROVJKQLNSB-UHFFFAOYSA-N 0 3 326.462 1.286 20 70 EDIDHN C[C@H](NC(=O)c1ccc(CN(C)C)cc1)C(=O)NCc1ccco1 ZINC000161472340 442002602 /nfs/dbraw/zinc/00/26/02/442002602.db2.gz YGUDBJDEBVQKGR-ZDUSSCGKSA-N 0 3 329.400 1.776 20 70 EDIDHN CCN(C)C(=O)CNC[C@H](O)COc1ccc(Cl)cc1Cl ZINC000218194090 443058328 /nfs/dbraw/zinc/05/83/28/443058328.db2.gz VXCWPDQPIIWNKG-NSHDSACASA-N 0 3 335.231 1.801 20 70 EDIDHN CCOc1ccccc1OCC(=O)NC[C@H](O)CN1CCCCC1 ZINC000160031402 528750185 /nfs/dbraw/zinc/75/01/85/528750185.db2.gz XFLMZGKKMRXTLN-HNNXBMFYSA-N 0 3 336.432 1.427 20 70 EDIDHN CCN1CCCN(C(=O)NCCn2c3ccccc3oc2=O)CC1 ZINC000159828837 529024738 /nfs/dbraw/zinc/02/47/38/529024738.db2.gz OMLKHHZOBCOPNT-UHFFFAOYSA-N 0 3 332.404 1.332 20 70 EDIDHN CCN1CCCN(C(=O)NCCOc2ccc(Cl)cn2)CC1 ZINC000159990040 529025267 /nfs/dbraw/zinc/02/52/67/529025267.db2.gz DGUAEWRKYDJALN-UHFFFAOYSA-N 0 3 326.828 1.851 20 70 EDIDHN CCN1CCN(CCCCNC(=O)c2cccc3[nH]cnc32)CC1 ZINC000159519147 529143704 /nfs/dbraw/zinc/14/37/04/529143704.db2.gz OBKWABCGRWNZAI-UHFFFAOYSA-N 0 3 329.448 1.710 20 70 EDIDHN CCN(CC)CC(=O)N1CCN(C(=O)C[C@@H](C)c2ccncc2)CC1 ZINC000160015416 540018285 /nfs/dbraw/zinc/01/82/85/540018285.db2.gz XJIRAOKVKBZHIZ-MRXNPFEDSA-N 0 3 346.475 1.588 20 70 EDIDHN Cc1cccc([C@@H]2CCCN2C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000160160102 540020734 /nfs/dbraw/zinc/02/07/34/540020734.db2.gz LBKDKWGBZMBUOY-NTDBWNAOSA-N 0 3 333.476 1.997 20 70 EDIDHN COc1ccc2[nH]cc(CC(=O)NC[C@H](O)CN3CCCCC3)c2c1 ZINC000160370684 533236679 /nfs/dbraw/zinc/23/66/79/533236679.db2.gz GXTULVPIYXNGME-HNNXBMFYSA-N 0 3 345.443 1.682 20 70 EDIDHN Cc1ccc(NC(=O)C(=O)NC[C@H](C2CCCCC2)N(C)C)cn1 ZINC000160039844 225325651 /nfs/dbraw/zinc/32/56/51/225325651.db2.gz DKHUTBBTYZYBOG-MRXNPFEDSA-N 0 3 332.448 1.955 20 70 EDIDHN CCOc1ccc(OCC(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160580540 272930048 /nfs/dbraw/zinc/93/00/48/272930048.db2.gz HEDREWHGCSOJSR-HNNXBMFYSA-N 0 3 336.432 1.427 20 70 EDIDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cc(N2CCNC2=O)ccc1F ZINC000159491236 441816584 /nfs/dbraw/zinc/81/65/84/441816584.db2.gz VLFRYMGUOCXXOZ-ZDUSSCGKSA-N 0 3 346.406 1.569 20 70 EDIDHN COCCN(CC1CCN(C(=O)C(C)(C)C)CC1)[C@@H](C)C(N)=O ZINC000159509411 441817713 /nfs/dbraw/zinc/81/77/13/441817713.db2.gz ISLRZWVAAATZGB-ZDUSSCGKSA-N 0 3 327.469 1.093 20 70 EDIDHN CCN1CCCN(C(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)CC1 ZINC000159967403 441850908 /nfs/dbraw/zinc/85/09/08/441850908.db2.gz UCMZQBJJUKRRLC-CQSZACIVSA-N 0 3 334.468 1.974 20 70 EDIDHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CCC(C)C)n1 ZINC000160384044 441875399 /nfs/dbraw/zinc/87/53/99/441875399.db2.gz XPMOFIFIQQOOBY-CQSZACIVSA-N 0 3 335.452 1.468 20 70 EDIDHN CCCOc1cccc(CC(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160405123 441877848 /nfs/dbraw/zinc/87/78/48/441877848.db2.gz JEBKNFOHMMOZJG-QGZVFWFLSA-N 0 3 334.460 1.981 20 70 EDIDHN Cc1nn(C(F)F)c(C)c1CC(=O)NC[C@H](O)CN1CCCCC1 ZINC000160546609 441895157 /nfs/dbraw/zinc/89/51/57/441895157.db2.gz ZTQACUZOMONZFW-ZDUSSCGKSA-N 0 3 344.406 1.401 20 70 EDIDHN O=C(CCn1ccc2ccccc21)NC[C@H](O)CN1CCCCC1 ZINC000160554358 441896592 /nfs/dbraw/zinc/89/65/92/441896592.db2.gz DTHMLNIBGVQXMV-KRWDZBQOSA-N 0 3 329.444 1.994 20 70 EDIDHN CC(C(=O)N[C@H](C)c1ccccc1)S(=O)(=O)Cc1nccn1C ZINC000161193499 441969858 /nfs/dbraw/zinc/96/98/58/441969858.db2.gz FBEXGABKQISTCS-OLZOCXBDSA-N 0 3 335.429 1.601 20 70 EDIDHN Cc1ccc([C@H]2COCCN2C(=O)Nc2ccn(CCN(C)C)n2)o1 ZINC000161091265 441955672 /nfs/dbraw/zinc/95/56/72/441955672.db2.gz WTSOCYMTYDCNIA-CQSZACIVSA-N 0 3 347.419 1.952 20 70 EDIDHN CN(C)C[C@](C)(O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000161502778 442005528 /nfs/dbraw/zinc/00/55/28/442005528.db2.gz PPXZIPWFLFQGCF-GFCCVEGCSA-N 0 3 340.367 1.296 20 70 EDIDHN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@H](N(C)C)C1)CC2 ZINC000161486060 442004144 /nfs/dbraw/zinc/00/41/44/442004144.db2.gz NRGXOASTWFZIKC-KBPBESRZSA-N 0 3 334.468 1.452 20 70 EDIDHN CN1CCN(CCCNC(=O)c2csc([C@H]3CCCO3)n2)CC1 ZINC000160193350 529771249 /nfs/dbraw/zinc/77/12/49/529771249.db2.gz VZJQACMCDBJAPQ-CQSZACIVSA-N 0 3 338.477 1.362 20 70 EDIDHN CN1CCC[C@H]1C(=O)N1CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000160001255 530061890 /nfs/dbraw/zinc/06/18/90/530061890.db2.gz SHHXYRGNUVPACR-LBPRGKRZSA-N 0 3 337.493 1.578 20 70 EDIDHN COc1ccccc1OCCN1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000159386177 540009188 /nfs/dbraw/zinc/00/91/88/540009188.db2.gz GGFXBIVDHXGHDY-INIZCTEOSA-N 0 3 347.459 1.488 20 70 EDIDHN C[C@@H](N[C@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NC(=O)NC1CC1 ZINC000159839926 533533549 /nfs/dbraw/zinc/53/35/49/533533549.db2.gz ZFAVYIORMJEBBI-VXGBXAGGSA-N 0 3 342.403 1.295 20 70 EDIDHN COCCCOc1cccc(CNC(=O)NC[C@H]2CCCN2C)c1 ZINC000159711880 225264591 /nfs/dbraw/zinc/26/45/91/225264591.db2.gz WVJVVBUTUDZUMI-MRXNPFEDSA-N 0 3 335.448 1.995 20 70 EDIDHN O=C(COc1ccc(Cl)cc1)NC[C@@H](O)CN1CCCCC1 ZINC000160151053 225349244 /nfs/dbraw/zinc/34/92/44/225349244.db2.gz XIQWWKQXZTVTQR-CQSZACIVSA-N 0 3 326.824 1.682 20 70 EDIDHN Cc1ccc(-n2ccnc2)c(C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160133834 441861106 /nfs/dbraw/zinc/86/11/06/441861106.db2.gz NEYSBMDXYQEOJD-MRXNPFEDSA-N 0 3 342.443 1.757 20 70 EDIDHN CN(C)[C@H](CNC(=O)CN(C)C[C@H](O)C(F)(F)F)c1ccccc1 ZINC000160258788 441869117 /nfs/dbraw/zinc/86/91/17/441869117.db2.gz IGEVAMCSZPOWKQ-KGLIPLIRSA-N 0 3 347.381 1.261 20 70 EDIDHN COC(=O)Cn1cc(CCN(C)CCc2ccccc2OC)nn1 ZINC000159859766 441843324 /nfs/dbraw/zinc/84/33/24/441843324.db2.gz LTLFOVRKRZBDCN-UHFFFAOYSA-N 0 3 332.404 1.177 20 70 EDIDHN C[C@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccn3)CC2)CN1C1CC1 ZINC000160642141 441904233 /nfs/dbraw/zinc/90/42/33/441904233.db2.gz OTPRUZFWUHGRNI-DOTOQJQBSA-N 0 3 343.475 1.534 20 70 EDIDHN CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000160829305 441926533 /nfs/dbraw/zinc/92/65/33/441926533.db2.gz FCVLPPBHTZFDKG-QWHCGFSZSA-N 0 3 329.404 1.757 20 70 EDIDHN CCN(CCCNC(=O)c1ccc(CN(C)C)cc1)S(C)(=O)=O ZINC000160724393 441913123 /nfs/dbraw/zinc/91/31/23/441913123.db2.gz BFZDVRBEURPCCW-UHFFFAOYSA-N 0 3 341.477 1.150 20 70 EDIDHN Cn1cc(C(=O)NCC2CCN(CCO)CC2)c(-c2cccs2)n1 ZINC000160756986 441917974 /nfs/dbraw/zinc/91/79/74/441917974.db2.gz PHXSPJWSOWQMQH-UHFFFAOYSA-N 0 3 348.472 1.583 20 70 EDIDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)Nc1cnc(Cl)cc1C ZINC000160420581 441880231 /nfs/dbraw/zinc/88/02/31/441880231.db2.gz MENWKXTUOSNTNR-LLVKDONJSA-N 0 3 326.828 1.828 20 70 EDIDHN COC[C@H](O)CCNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000161155731 441965118 /nfs/dbraw/zinc/96/51/18/441965118.db2.gz YCXHRYWPANLEOS-GOSISDBHSA-N 0 3 349.475 1.021 20 70 EDIDHN Cc1ccccc1CS(=O)(=O)NCC1CCN(CCO)CC1 ZINC000161412105 441996325 /nfs/dbraw/zinc/99/63/25/441996325.db2.gz OQWKJRVCLLKBKI-UHFFFAOYSA-N 0 3 326.462 1.119 20 70 EDIDHN Cc1cc(S(=O)(=O)NCC2CCN(CCO)CC2)ccc1F ZINC000161409803 441996890 /nfs/dbraw/zinc/99/68/90/441996890.db2.gz JCSQYIMYUCQZQU-UHFFFAOYSA-N 0 3 330.425 1.117 20 70 EDIDHN COCCCN1CCC(NC(=O)N(C)C[C@H]2CCC[C@@H]2O)CC1 ZINC000160570264 318422390 /nfs/dbraw/zinc/42/23/90/318422390.db2.gz LLETZPQBPGOANA-ZBFHGGJFSA-N 0 3 327.469 1.290 20 70 EDIDHN CC(C)Oc1ccccc1CC(=O)NCC1CCN(CCO)CC1 ZINC000160702867 528249423 /nfs/dbraw/zinc/24/94/23/528249423.db2.gz BSZYDFSELZMTTA-UHFFFAOYSA-N 0 3 334.460 1.837 20 70 EDIDHN CCCNC(=O)c1cccc(C(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160368958 528458592 /nfs/dbraw/zinc/45/85/92/528458592.db2.gz PZIGWZFAXRWECY-KRWDZBQOSA-N 0 3 347.459 1.403 20 70 EDIDHN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCN(c2ccncc2)CC1 ZINC000161374425 540033441 /nfs/dbraw/zinc/03/34/41/540033441.db2.gz IEFGKPNTPMOGKU-OAHLLOKOSA-N 0 3 342.447 1.581 20 70 EDIDHN COc1ccc2c(CC(=O)NC[C@@H](O)CN3CCCCC3)coc2c1 ZINC000160055715 533238680 /nfs/dbraw/zinc/23/86/80/533238680.db2.gz VVCAJGNVFILNOY-OAHLLOKOSA-N 0 3 346.427 1.947 20 70 EDIDHN COc1ccc(CC(=O)NC[C@H](O)CN2CCCCC2)cc1OC ZINC000160174708 533446505 /nfs/dbraw/zinc/44/65/05/533446505.db2.gz HLYKZSIHLKMJRO-HNNXBMFYSA-N 0 3 336.432 1.209 20 70 EDIDHN CSCC[C@@H](N)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000159953393 533605755 /nfs/dbraw/zinc/60/57/55/533605755.db2.gz AIVYXONCSVIFID-NEPJUHHUSA-N 0 3 325.409 1.128 20 70 EDIDHN Cn1nc2c(cc1=O)CN(CC1CCN(C(=O)C(C)(C)C)CC1)CC2 ZINC000159913359 225301039 /nfs/dbraw/zinc/30/10/39/225301039.db2.gz UYYSERDPTHCEMR-UHFFFAOYSA-N 0 3 346.475 1.423 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccccc1-n1cccn1 ZINC000160443970 272929597 /nfs/dbraw/zinc/92/95/97/272929597.db2.gz KABXXCOCGWONKW-HNNXBMFYSA-N 0 3 328.416 1.449 20 70 EDIDHN CCN(CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)NC(=O)NC ZINC000160039803 276121488 /nfs/dbraw/zinc/12/14/88/276121488.db2.gz UGDZPSOVTOOFIW-AWEZNQCLSA-N 0 3 347.463 1.464 20 70 EDIDHN CN(C)CCN(C(=O)NCCC(=O)N1CCCCC1)C1CCCC1 ZINC000160215768 302921181 /nfs/dbraw/zinc/92/11/81/302921181.db2.gz VCPIVUGJRCJDOT-UHFFFAOYSA-N 0 3 338.496 1.905 20 70 EDIDHN COCCc1noc(CN(C)C(=O)N[C@H](C)CN2CCCCC2)n1 ZINC000160303262 302921532 /nfs/dbraw/zinc/92/15/32/302921532.db2.gz FULHHTGPGZQOGF-CYBMUJFWSA-N 0 3 339.440 1.274 20 70 EDIDHN CCN1CCCN(C(=O)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000159666534 441829267 /nfs/dbraw/zinc/82/92/67/441829267.db2.gz ZJMOAUCXBWMCES-CYBMUJFWSA-N 0 3 346.431 1.816 20 70 EDIDHN CCN(CCNC(=O)N1CCCN(CC)CC1)C(=O)OC(C)(C)C ZINC000159823233 441839653 /nfs/dbraw/zinc/83/96/53/441839653.db2.gz XMKHYZANGTYEKI-UHFFFAOYSA-N 0 3 342.484 1.981 20 70 EDIDHN COC(=O)c1ccc(CCC(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000159907007 441846137 /nfs/dbraw/zinc/84/61/37/441846137.db2.gz FWMBRXPMPSVRBO-QGZVFWFLSA-N 0 3 348.443 1.369 20 70 EDIDHN COCCOc1cccc(C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160682143 441909862 /nfs/dbraw/zinc/90/98/62/441909862.db2.gz QBHVGAFHGPWSEJ-MRXNPFEDSA-N 0 3 336.432 1.288 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccn(-c2cccc(F)c2)n1 ZINC000160448606 441884301 /nfs/dbraw/zinc/88/43/01/441884301.db2.gz BSPQZGUGFSAKFM-INIZCTEOSA-N 0 3 346.406 1.588 20 70 EDIDHN C[C@@H](N[C@@H](C)c1ccccc1-n1cccn1)C(=O)NC(=O)NC1CC1 ZINC000160872202 441930236 /nfs/dbraw/zinc/93/02/36/441930236.db2.gz ZBSIWCRAHQHLBV-QWHCGFSZSA-N 0 3 341.415 1.900 20 70 EDIDHN CN(C)CCOc1ccc(NC(=O)CS(=O)(=O)C(C)(C)C)cc1 ZINC000160999732 441945758 /nfs/dbraw/zinc/94/57/58/441945758.db2.gz JZZFQFFFGLSZIC-UHFFFAOYSA-N 0 3 342.461 1.779 20 70 EDIDHN Cc1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)c(Cl)c1 ZINC000161391433 441994960 /nfs/dbraw/zinc/99/49/60/441994960.db2.gz GPAVWHHUDLBVGZ-UHFFFAOYSA-N 0 3 346.880 1.631 20 70 EDIDHN O=S(=O)(NCC1CCN(CCO)CC1)c1ccccc1Cl ZINC000161395252 441995472 /nfs/dbraw/zinc/99/54/72/441995472.db2.gz HWMIVTZIEZTGDX-UHFFFAOYSA-N 0 3 332.853 1.323 20 70 EDIDHN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N(C)CCN1CCCC1)CC2 ZINC000161464686 442001800 /nfs/dbraw/zinc/00/18/00/442001800.db2.gz ILMRMRXBLJNCNR-AWEZNQCLSA-N 0 3 334.468 1.454 20 70 EDIDHN C[C@@H](O)[C@H]1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000159992265 533839138 /nfs/dbraw/zinc/83/91/38/533839138.db2.gz MMVVYMDSZSICJI-LMSBXDPUSA-N 0 3 331.460 1.919 20 70 EDIDHN CC(C)(N)C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000160134327 527240598 /nfs/dbraw/zinc/24/05/98/527240598.db2.gz MVSDNPWJULFIMZ-LLVKDONJSA-N 0 3 345.321 1.544 20 70 EDIDHN CCN1CCN(c2ccc(NC(=O)NC3(CO)CC3)c(C)c2)CC1 ZINC000160252055 529153483 /nfs/dbraw/zinc/15/34/83/529153483.db2.gz FJJRKWVRIPZCLB-UHFFFAOYSA-N 0 3 332.448 1.783 20 70 EDIDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cnc2c(c1)ncn2C ZINC000160186738 535938825 /nfs/dbraw/zinc/93/88/25/535938825.db2.gz VGXVUHFKZTUVKK-MRXNPFEDSA-N 0 3 337.427 1.871 20 70 EDIDHN CC[C@H](C(=O)N1CCN(Cc2cn3ccccc3n2)CC1)N(C)C ZINC000160030386 529598093 /nfs/dbraw/zinc/59/80/93/529598093.db2.gz XFUCFZAKLPVODH-MRXNPFEDSA-N 0 3 329.448 1.319 20 70 EDIDHN Cc1nccn1CCCN(C)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000159473934 540009952 /nfs/dbraw/zinc/00/99/52/540009952.db2.gz CVMSQTOYXYHERB-UHFFFAOYSA-N 0 3 333.440 1.504 20 70 EDIDHN Cn1cc(N2CCC[C@H](N3CCN(CCC(C)(C)C)CC3)C2=O)cn1 ZINC000159511887 225231425 /nfs/dbraw/zinc/23/14/25/225231425.db2.gz FAMGNLSAYNGNMY-KRWDZBQOSA-N 0 3 347.507 1.969 20 70 EDIDHN O=C(N1CCNCC1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000159420302 225213025 /nfs/dbraw/zinc/21/30/25/225213025.db2.gz VAEFAHXQYDQBOC-INIZCTEOSA-N 0 3 341.377 1.873 20 70 EDIDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCCOCCO ZINC000159923478 225303804 /nfs/dbraw/zinc/30/38/04/225303804.db2.gz UVUVOIQTQXYGES-RDJZCZTQSA-N 0 3 335.448 1.205 20 70 EDIDHN Cc1nn(-c2ccccc2)cc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160269261 225375231 /nfs/dbraw/zinc/37/52/31/225375231.db2.gz MZKPCUQBEYTNRB-QGZVFWFLSA-N 0 3 342.443 1.757 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cnn(-c2ccccc2)c1 ZINC000160307170 225386098 /nfs/dbraw/zinc/38/60/98/225386098.db2.gz YALVTDLCQDQPJP-QGZVFWFLSA-N 0 3 328.416 1.449 20 70 EDIDHN COCCN(CCN(C)C)C(=O)c1cc(NC(C)=O)ccc1Cl ZINC000160049088 225326603 /nfs/dbraw/zinc/32/66/03/225326603.db2.gz WJRLNEOMXLMXFH-UHFFFAOYSA-N 0 3 341.839 1.949 20 70 EDIDHN COc1ccc(O[C@@H](C)C(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160301659 441870920 /nfs/dbraw/zinc/87/09/20/441870920.db2.gz LLGWTOXLRLTFKZ-GJZGRUSLSA-N 0 3 336.432 1.426 20 70 EDIDHN CN1CCN(Cc2cccc(C(=O)N3C[C@H]4CCC[C@@H](C3)N4)c2)CC1 ZINC000160607701 441901228 /nfs/dbraw/zinc/90/12/28/441901228.db2.gz PTKZOTOBMCNVRZ-KDURUIRLSA-N 0 3 342.487 1.401 20 70 EDIDHN Cc1ccc(C(=O)CCC(=O)NCC2CCN(CCO)CC2)cc1 ZINC000160632874 441903583 /nfs/dbraw/zinc/90/35/83/441903583.db2.gz LNDBETIWDLMFOF-UHFFFAOYSA-N 0 3 332.444 1.778 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1cc(-c2ccccc2)n[nH]1 ZINC000160649755 441906087 /nfs/dbraw/zinc/90/60/87/441906087.db2.gz GIMREIATLYGCQO-HNNXBMFYSA-N 0 3 328.416 1.653 20 70 EDIDHN C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCC1CCN(CCO)CC1 ZINC000160669313 441906948 /nfs/dbraw/zinc/90/69/48/441906948.db2.gz XTBVPKYRNMINEB-LBPRGKRZSA-N 0 3 342.386 1.553 20 70 EDIDHN C[C@@H](Oc1cccc(Cl)c1)C(=O)NCC1CCN(CCO)CC1 ZINC000160677602 441908078 /nfs/dbraw/zinc/90/80/78/441908078.db2.gz XWDUPXHOHJGWOC-CYBMUJFWSA-N 0 3 340.851 1.928 20 70 EDIDHN CNS(=O)(=O)c1ccc([C@@H](C)N[C@H](CCO)CSC)cc1 ZINC000160405105 441878070 /nfs/dbraw/zinc/87/80/70/441878070.db2.gz WBRUHQIWMXYFHQ-DGCLKSJQSA-N 0 3 332.491 1.359 20 70 EDIDHN CCN(c1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cn1)C(C)C ZINC000160437271 441882990 /nfs/dbraw/zinc/88/29/90/441882990.db2.gz PMLLXAOOOQKPJC-KRWDZBQOSA-N 0 3 348.491 1.893 20 70 EDIDHN C[C@@H](NCC(=O)NCC(F)(F)F)c1ccc(OCCN(C)C)cc1 ZINC000160522921 441892599 /nfs/dbraw/zinc/89/25/99/441892599.db2.gz XLDVPYDAGUQQCG-GFCCVEGCSA-N 0 3 347.381 1.956 20 70 EDIDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)CC2 ZINC000160558545 441896684 /nfs/dbraw/zinc/89/66/84/441896684.db2.gz ZCJLSRWPGSJIGF-BXUZGUMPSA-N 0 3 334.445 1.656 20 70 EDIDHN COCCCN1CCC(NC(=O)N(C)C[C@@H]2CCC[C@@H]2O)CC1 ZINC000160570135 441897248 /nfs/dbraw/zinc/89/72/48/441897248.db2.gz LLETZPQBPGOANA-HOCLYGCPSA-N 0 3 327.469 1.290 20 70 EDIDHN O=C(NCC1CCN(CCO)CC1)c1ccc(Br)o1 ZINC000160580758 441899001 /nfs/dbraw/zinc/89/90/01/441899001.db2.gz VOUOSHYDGNBTNP-UHFFFAOYSA-N 0 3 331.210 1.476 20 70 EDIDHN COCCN1CCC[C@@H]1CNC(=O)NCC1(CCOC)CCCC1 ZINC000161098622 441956600 /nfs/dbraw/zinc/95/66/00/441956600.db2.gz DXUQBKDJLWWFFQ-MRXNPFEDSA-N 0 3 341.496 1.993 20 70 EDIDHN CC(C(=O)NCc1ccc(F)cc1)S(=O)(=O)Cc1nccn1C ZINC000161167792 441966078 /nfs/dbraw/zinc/96/60/78/441966078.db2.gz IXCFESSPFDRIEO-NSHDSACASA-N 0 3 339.392 1.179 20 70 EDIDHN CN(C)CCN(CC1CCCCC1)C(=O)CNC(=O)c1cccnc1 ZINC000161172166 441966260 /nfs/dbraw/zinc/96/62/60/441966260.db2.gz YHNISZWARXZAMP-UHFFFAOYSA-N 0 3 346.475 1.782 20 70 EDIDHN COCCCN1CCC(NC(=O)Cc2nc(C)sc2C)CC1 ZINC000161183264 441967882 /nfs/dbraw/zinc/96/78/82/441967882.db2.gz GHLKWFPIEUJDAN-UHFFFAOYSA-N 0 3 325.478 1.920 20 70 EDIDHN Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@H](N)C(C)C)CC1 ZINC000161253892 318424717 /nfs/dbraw/zinc/42/47/17/318424717.db2.gz FQECDTUXHYEZIT-DOTOQJQBSA-N 0 3 347.459 1.416 20 70 EDIDHN O=C(CCCOc1ccc(F)cc1)NC[C@@H](O)CN1CCCCC1 ZINC000160093752 534366076 /nfs/dbraw/zinc/36/60/76/534366076.db2.gz GTQGDEAWEOZVTB-MRXNPFEDSA-N 0 3 338.423 1.948 20 70 EDIDHN Cc1conc1NC(=O)C(=O)NC[C@H](C(C)C)N1CCC(C)CC1 ZINC000160166897 534756758 /nfs/dbraw/zinc/75/67/58/534756758.db2.gz HZZXDGUXCULRAU-CQSZACIVSA-N 0 3 336.436 1.794 20 70 EDIDHN CCN1CCCN(C(=O)NCc2cccnc2-n2ccnc2)CC1 ZINC000159613626 529029313 /nfs/dbraw/zinc/02/93/13/529029313.db2.gz NNDFQKGIJCXIEE-UHFFFAOYSA-N 0 3 328.420 1.505 20 70 EDIDHN C[C@@H](NC(=O)C1CCCCC1)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160416163 272929618 /nfs/dbraw/zinc/92/96/18/272929618.db2.gz NTXRVSZNJVKLLZ-ZBFHGGJFSA-N 0 3 339.480 1.034 20 70 EDIDHN CC(C)Cc1nc(C(=O)NC[C@@H](O)CN2CCCCC2)cs1 ZINC000160472733 272929779 /nfs/dbraw/zinc/92/97/79/272929779.db2.gz BDAHFLQCGNFSPT-CYBMUJFWSA-N 0 3 325.478 1.918 20 70 EDIDHN CC(C)CN(CCN(C)C)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159562298 441821354 /nfs/dbraw/zinc/82/13/54/441821354.db2.gz KVCGHGFCFVJTLG-HNNXBMFYSA-N 0 3 337.468 1.971 20 70 EDIDHN CCOC(=O)N[C@H](CNC(=O)N1CCCN(CC)CC1)CC(C)C ZINC000159682270 441828469 /nfs/dbraw/zinc/82/84/69/441828469.db2.gz IDKXLVSJGZIILZ-HNNXBMFYSA-N 0 3 342.484 1.884 20 70 EDIDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000160380463 441875076 /nfs/dbraw/zinc/87/50/76/441875076.db2.gz WRXFUWDLIAGXLS-NVXWUHKLSA-N 0 3 325.416 1.824 20 70 EDIDHN Cc1nn(C(F)F)c(C)c1CC(=O)NCC1CCN(CCO)CC1 ZINC000160615227 441902174 /nfs/dbraw/zinc/90/21/74/441902174.db2.gz UVRXOYGRUHPOGG-UHFFFAOYSA-N 0 3 344.406 1.258 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc2ccccc2c(=O)[nH]1 ZINC000160621593 441903811 /nfs/dbraw/zinc/90/38/11/441903811.db2.gz WGNIHRWIZBKFIH-CQSZACIVSA-N 0 3 329.400 1.105 20 70 EDIDHN CCCc1noc(CCCC(=O)NCC2CCN(CCO)CC2)n1 ZINC000160667788 441906995 /nfs/dbraw/zinc/90/69/95/441906995.db2.gz SLXANTUJEPMQLU-UHFFFAOYSA-N 0 3 338.452 1.165 20 70 EDIDHN CN(CCNC(=O)c1ccc2[nH]c(=O)n(C)c2c1)Cc1ccccc1 ZINC000160678178 441908247 /nfs/dbraw/zinc/90/82/47/441908247.db2.gz LCFYLJOBAQUXTN-UHFFFAOYSA-N 0 3 338.411 1.728 20 70 EDIDHN COc1ccc(OC)c(CC(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160449148 441884671 /nfs/dbraw/zinc/88/46/71/441884671.db2.gz VGCNXRDIMOUGJO-HNNXBMFYSA-N 0 3 336.432 1.209 20 70 EDIDHN Cc1nn(C)c(C)c1C[C@H](C)C(=O)NCC1CCN(CCO)CC1 ZINC000160579675 441899071 /nfs/dbraw/zinc/89/90/71/441899071.db2.gz OLYJTFJGPOXWAA-ZDUSSCGKSA-N 0 3 336.480 1.036 20 70 EDIDHN Cc1conc1NC(=O)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1 ZINC000161133187 441960484 /nfs/dbraw/zinc/96/04/84/441960484.db2.gz RPGLYPJIUSQCNQ-CYBMUJFWSA-N 0 3 334.420 1.835 20 70 EDIDHN CN(CCNC(=O)CNC(=O)c1cccnc1)Cc1ccccc1 ZINC000161450846 442000913 /nfs/dbraw/zinc/00/09/13/442000913.db2.gz BGNKZLOITLYGSB-UHFFFAOYSA-N 0 3 326.400 1.060 20 70 EDIDHN C[C@@H](N)C(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000161330734 441986078 /nfs/dbraw/zinc/98/60/78/441986078.db2.gz MYMYZYCGJSXJEI-CQSZACIVSA-N 0 3 329.444 1.763 20 70 EDIDHN O=C(CCCNC(=O)c1ccccc1)NC[C@H](O)CN1CCCCC1 ZINC000159930813 534352083 /nfs/dbraw/zinc/35/20/83/534352083.db2.gz STWURRNGUTZSGN-KRWDZBQOSA-N 0 3 347.459 1.160 20 70 EDIDHN Cc1conc1NC(=O)C(=O)NCCCN(C)Cc1ccccc1 ZINC000160083095 534753820 /nfs/dbraw/zinc/75/38/20/534753820.db2.gz VJDSCBAHUQPGBL-UHFFFAOYSA-N 0 3 330.388 1.560 20 70 EDIDHN CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159878688 528170442 /nfs/dbraw/zinc/17/04/42/528170442.db2.gz HATOFCJDKLQWPA-RYUDHWBXSA-N 0 3 330.392 1.152 20 70 EDIDHN C[C@H](C(=O)NCc1cccs1)N1CCN(c2ccncc2)CC1 ZINC000161386413 539484699 /nfs/dbraw/zinc/48/46/99/539484699.db2.gz NDDPLQGEEPCHBQ-CQSZACIVSA-N 0 3 330.457 1.970 20 70 EDIDHN COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C[NH3+])C1CCCCC1 ZINC000160157768 292043849 /nfs/dbraw/zinc/04/38/49/292043849.db2.gz RCPHUALRTGXCAW-LLVKDONJSA-N 0 3 346.474 1.721 20 70 EDIDHN CN(C)[C@@H](CNC(=O)CN1CCCC2(C1)OCCO2)c1ccccc1 ZINC000159397992 225209820 /nfs/dbraw/zinc/20/98/20/225209820.db2.gz OZGXECQWQLVVKI-KRWDZBQOSA-N 0 3 347.459 1.244 20 70 EDIDHN CN(C)[C@H](CNC(=O)CN1CCc2n[nH]cc2C1)c1ccccc1 ZINC000159597307 225246407 /nfs/dbraw/zinc/24/64/07/225246407.db2.gz NWRHQMOESCKBKL-QGZVFWFLSA-N 0 3 327.432 1.187 20 70 EDIDHN CN(C)CCOc1ccc(CNC(=O)N2CCC[C@](C)(O)C2)cc1 ZINC000160207290 225361215 /nfs/dbraw/zinc/36/12/15/225361215.db2.gz UCBZXGJNYAPZTR-SFHVURJKSA-N 0 3 335.448 1.683 20 70 EDIDHN CCN(CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)NC(N)=O ZINC000160081884 276341822 /nfs/dbraw/zinc/34/18/22/276341822.db2.gz CHEABVHFVQOROP-ZDUSSCGKSA-N 0 3 333.436 1.203 20 70 EDIDHN CC(C)N(C[C@H](C)O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000160039319 302920069 /nfs/dbraw/zinc/92/00/69/302920069.db2.gz IVNHLVYPOFJDNE-HNNXBMFYSA-N 0 3 337.464 1.928 20 70 EDIDHN O=C(C[C@@H]1CCOc2ccccc21)NC[C@@H](O)CN1CCCCC1 ZINC000160232482 441865964 /nfs/dbraw/zinc/86/59/64/441865964.db2.gz LEBWGGROMAFPKR-JKSUJKDBSA-N 0 3 332.444 1.906 20 70 EDIDHN CN(C)CCN(Cc1ccccn1)C(=O)CN(C)[C@H]1CCSC1 ZINC000159643840 441826641 /nfs/dbraw/zinc/82/66/41/441826641.db2.gz CHVMPOKAJSGGID-INIZCTEOSA-N 0 3 336.505 1.409 20 70 EDIDHN C[C@H]1C[C@H](NC(=O)N2CCN(Cc3ccccn3)CC2)CN1C1CC1 ZINC000160641899 441904787 /nfs/dbraw/zinc/90/47/87/441904787.db2.gz OTPRUZFWUHGRNI-RDJZCZTQSA-N 0 3 343.475 1.534 20 70 EDIDHN Cc1cc(C)nc(SCC(=O)NC[C@@H](O)CN2CCCCC2)n1 ZINC000160477479 441887378 /nfs/dbraw/zinc/88/73/78/441887378.db2.gz ABFBASRTHULQPW-CQSZACIVSA-N 0 3 338.477 1.149 20 70 EDIDHN CCN(C)[C@@H](C(=O)NC[C@H](O)CN1CCCCC1)c1ccccc1 ZINC000160510958 441891583 /nfs/dbraw/zinc/89/15/83/441891583.db2.gz YNZNPVXSRLJEPA-ZWKOTPCHSA-N 0 3 333.476 1.642 20 70 EDIDHN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)NC1CCN(C)CC1)CC2 ZINC000161231218 441975148 /nfs/dbraw/zinc/97/51/48/441975148.db2.gz PRMKTZGKUJUDJN-CABCVRRESA-N 0 3 325.453 1.042 20 70 EDIDHN CSCC[C@H](N)C(=O)NC[C@H](O)c1ccc(OC(C)C)cc1 ZINC000160977943 441943047 /nfs/dbraw/zinc/94/30/47/441943047.db2.gz LMVNWGRCQHOTNW-GJZGRUSLSA-N 0 3 326.462 1.704 20 70 EDIDHN CCOc1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)cc1 ZINC000161384509 441993992 /nfs/dbraw/zinc/99/39/92/441993992.db2.gz ZNXYEGIWVIPQGU-UHFFFAOYSA-N 0 3 342.461 1.068 20 70 EDIDHN COc1ccc(CCCC(=O)NC[C@](C)(O)CN(C)C)c(OC)c1 ZINC000161415171 441996661 /nfs/dbraw/zinc/99/66/61/441996661.db2.gz FKFLHYXIQFEUKM-SFHVURJKSA-N 0 3 338.448 1.455 20 70 EDIDHN Cc1cc(Cl)ccc1S(=O)(=O)NCC1CCN(CCO)CC1 ZINC000161417068 441997614 /nfs/dbraw/zinc/99/76/14/441997614.db2.gz XXRKRTBLDIBKQE-UHFFFAOYSA-N 0 3 346.880 1.631 20 70 EDIDHN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@@H](N(C)C)C1)CC2 ZINC000161486289 442004390 /nfs/dbraw/zinc/00/43/90/442004390.db2.gz NRGXOASTWFZIKC-UONOGXRCSA-N 0 3 334.468 1.452 20 70 EDIDHN CCN1CCCN(C(=O)NCc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000159580103 529027898 /nfs/dbraw/zinc/02/78/98/529027898.db2.gz PPRWLOAJCYOTKA-UHFFFAOYSA-N 0 3 332.448 1.626 20 70 EDIDHN NC(=O)[C@@H]1CCCN1C1CCN(Cc2nc(-c3ccoc3)no2)CC1 ZINC000159361029 579046415 /nfs/dbraw/zinc/04/64/15/579046415.db2.gz NUPUBYXOIPDLBM-AWEZNQCLSA-N 0 3 345.403 1.244 20 70 EDIDHN CC(C(=O)N[C@H]1CCC[C@H](C)[C@H]1C)S(=O)(=O)Cc1nccn1C ZINC000161195042 138642673 /nfs/dbraw/zinc/64/26/73/138642673.db2.gz CGBAFJIKMWKOBI-DGAVXFQQSA-N 0 3 341.477 1.664 20 70 EDIDHN C[C@H](C(=O)NC(=O)Nc1ccccc1F)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159730066 225268258 /nfs/dbraw/zinc/26/82/58/225268258.db2.gz WMUOXEBYQSDXDF-XUJVJEKNSA-N 0 3 337.395 1.955 20 70 EDIDHN Cc1c(NC(=O)C(=O)NC2CCN(C)CC2)cnn1-c1ccccc1 ZINC000160014450 225320417 /nfs/dbraw/zinc/32/04/17/225320417.db2.gz ZEHWUUFSBSQJSB-UHFFFAOYSA-N 0 3 341.415 1.330 20 70 EDIDHN CN(C)CCn1ccc(NC(=O)c2csc(S(C)(=O)=O)c2)n1 ZINC000160107113 225338572 /nfs/dbraw/zinc/33/85/72/225338572.db2.gz MOHDPIFSAWHVFN-UHFFFAOYSA-N 0 3 342.446 1.162 20 70 EDIDHN CCC(=O)N[C@@H](C(=O)NC[C@H](O)CN1CCCCC1)c1ccccc1 ZINC000160141647 267500282 /nfs/dbraw/zinc/50/02/82/267500282.db2.gz GHLXVTWLFRQQTC-FUHWJXTLSA-N 0 3 347.459 1.217 20 70 EDIDHN CCN1CCN(c2ccc(CN[C@@H](C)c3cnn(C)c3)cn2)CC1 ZINC000159502537 441818208 /nfs/dbraw/zinc/81/82/08/441818208.db2.gz GMGMVNBARIKWML-HNNXBMFYSA-N 0 3 328.464 1.808 20 70 EDIDHN CC(C(=O)NC1CC1)S(=O)(=O)Cc1noc(C2CCCCC2)n1 ZINC000159414108 441811809 /nfs/dbraw/zinc/81/18/09/441811809.db2.gz SZQLQSSCMHNSGO-SNVBAGLBSA-N 0 3 341.433 1.699 20 70 EDIDHN COC(=O)Cn1cc(CCN(C)CCN(C)c2ccccc2)nn1 ZINC000160087091 441858440 /nfs/dbraw/zinc/85/84/40/441858440.db2.gz XJUXVANBOAEUHZ-UHFFFAOYSA-N 0 3 331.420 1.062 20 70 EDIDHN Cc1nn(C)c2nc(C)cc(C(=O)NCC3CCN(CCO)CC3)c12 ZINC000160620035 441903800 /nfs/dbraw/zinc/90/38/00/441903800.db2.gz HKXNLFCYZMYNFP-UHFFFAOYSA-N 0 3 345.447 1.019 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccn(-c2cccc(F)c2)n1 ZINC000160448723 441884286 /nfs/dbraw/zinc/88/42/86/441884286.db2.gz BSPQZGUGFSAKFM-MRXNPFEDSA-N 0 3 346.406 1.588 20 70 EDIDHN O=C(CCn1ccc2ccccc21)NC[C@@H](O)CN1CCCCC1 ZINC000160554485 441896666 /nfs/dbraw/zinc/89/66/66/441896666.db2.gz DTHMLNIBGVQXMV-QGZVFWFLSA-N 0 3 329.444 1.994 20 70 EDIDHN CCCN(CCO)Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000161208166 441972514 /nfs/dbraw/zinc/97/25/14/441972514.db2.gz OBLMHTUCOLIHKQ-UHFFFAOYSA-N 0 3 330.812 1.417 20 70 EDIDHN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000161152958 441963902 /nfs/dbraw/zinc/96/39/02/441963902.db2.gz OERJXPRKIPMABY-JVPBZIDWSA-N 0 3 343.471 1.805 20 70 EDIDHN CSCC[C@H](N)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000161460963 442001402 /nfs/dbraw/zinc/00/14/02/442001402.db2.gz XSWZDKCWLYLILH-STQMWFEESA-N 0 3 341.864 1.642 20 70 EDIDHN CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@@H]3CC[C@H](C2)N3C)c1CC ZINC000160352250 529696132 /nfs/dbraw/zinc/69/61/32/529696132.db2.gz PYESIIKHSMQDPC-QWHCGFSZSA-N 0 3 347.463 1.273 20 70 EDIDHN CN(CCCOc1ccc(S(C)(=O)=O)cc1)C[C@H]1CCC[C@@H]1O ZINC000159813789 529895422 /nfs/dbraw/zinc/89/54/22/529895422.db2.gz ITRONBMNJWCDKG-PBHICJAKSA-N 0 3 341.473 1.952 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(Cn2ccnc2)cc1 ZINC000159996611 225316580 /nfs/dbraw/zinc/31/65/80/225316580.db2.gz FKCLTAHVHBNKQS-SFHVURJKSA-N 0 3 342.443 1.508 20 70 EDIDHN CCS(=O)(=O)CCN(C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000159666226 225257006 /nfs/dbraw/zinc/25/70/06/225257006.db2.gz KCDMGDHOWOLRSM-UHFFFAOYSA-N 0 3 341.477 1.324 20 70 EDIDHN Cc1nccn1CCCN(C)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000160258715 225373035 /nfs/dbraw/zinc/37/30/35/225373035.db2.gz PQHVFVSIWWTWSQ-QGZVFWFLSA-N 0 3 340.427 1.841 20 70 EDIDHN CCOC(=O)CCc1ccc(NC(=O)CNC[C@H]2CCCO2)cc1 ZINC000160491520 272929820 /nfs/dbraw/zinc/92/98/20/272929820.db2.gz OMKBVHXHTAGPTM-MRXNPFEDSA-N 0 3 334.416 1.889 20 70 EDIDHN CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@H](N2CCCCC2)C1 ZINC000160950603 276704496 /nfs/dbraw/zinc/70/44/96/276704496.db2.gz RRBCZNHNWDNDQT-AWEZNQCLSA-N 0 3 348.447 1.961 20 70 EDIDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc(N2CCNC2=O)ccc1F ZINC000159491096 441816203 /nfs/dbraw/zinc/81/62/03/441816203.db2.gz VLFRYMGUOCXXOZ-CYBMUJFWSA-N 0 3 346.406 1.569 20 70 EDIDHN C[C@H](O)[C@@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000159430812 441813837 /nfs/dbraw/zinc/81/38/37/441813837.db2.gz JIXVFRFPSMVJRA-JQHSSLGASA-N 0 3 333.476 1.498 20 70 EDIDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)Nc1ccn(CCC(C)C)n1 ZINC000160419490 441880950 /nfs/dbraw/zinc/88/09/50/441880950.db2.gz CCJNSUPFYGYUBU-CQSZACIVSA-N 0 3 337.468 1.714 20 70 EDIDHN CNS(=O)(=O)c1cccc([C@@H](C)NC[C@H]2CCCC[C@@H]2O)c1 ZINC000160563616 441897999 /nfs/dbraw/zinc/89/79/99/441897999.db2.gz CVOFZAPBQNOAOV-XPKDYRNWSA-N 0 3 326.462 1.796 20 70 EDIDHN CC(C(=O)N[C@H](C)c1ccccc1)S(=O)(=O)Cc1nccn1C ZINC000161193273 441969686 /nfs/dbraw/zinc/96/96/86/441969686.db2.gz FBEXGABKQISTCS-CHWSQXEVSA-N 0 3 335.429 1.601 20 70 EDIDHN CCS(=O)(=O)Nc1ccc([C@@H](C)NCC(=O)NC(C)C)cc1 ZINC000160966884 441941444 /nfs/dbraw/zinc/94/14/44/441941444.db2.gz GHHXSHSFMMLXIO-GFCCVEGCSA-N 0 3 327.450 1.623 20 70 EDIDHN CC(C(=O)NCc1ccc(F)cc1)S(=O)(=O)Cc1nccn1C ZINC000161167922 441966042 /nfs/dbraw/zinc/96/60/42/441966042.db2.gz IXCFESSPFDRIEO-LLVKDONJSA-N 0 3 339.392 1.179 20 70 EDIDHN COCCN(C)CCNC(=O)c1cnc(-c2ccccc2)nc1C ZINC000161174402 441967308 /nfs/dbraw/zinc/96/73/08/441967308.db2.gz FNEYCRPLNPTZDS-UHFFFAOYSA-N 0 3 328.416 1.760 20 70 EDIDHN CC(C)(CNC(=O)CCCNC(=O)c1cccnc1)N1CCCCC1 ZINC000161410154 441996364 /nfs/dbraw/zinc/99/63/64/441996364.db2.gz JDRULKGUZDRDEC-UHFFFAOYSA-N 0 3 346.475 1.972 20 70 EDIDHN C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000161431520 441998885 /nfs/dbraw/zinc/99/88/85/441998885.db2.gz LOJQFOAQGVEBNN-CYBMUJFWSA-N 0 3 344.452 1.539 20 70 EDIDHN CN(C)C[C@](C)(O)CNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000161449820 442000262 /nfs/dbraw/zinc/00/02/62/442000262.db2.gz QPCNTSODAOLRDT-MRXNPFEDSA-N 0 3 326.462 1.156 20 70 EDIDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)Cn2nnc(-c3ccccc3)n2)C1 ZINC000161324615 441986300 /nfs/dbraw/zinc/98/63/00/441986300.db2.gz ARVCQIGUMVFYSK-HIFRSBDPSA-N 0 3 328.420 1.185 20 70 EDIDHN CC(C)C[C@H](N)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000160974936 528553206 /nfs/dbraw/zinc/55/32/06/528553206.db2.gz XUWIKNRDJMIURY-ZBFHGGJFSA-N 0 3 333.432 1.156 20 70 EDIDHN CC(C(=O)NC[C@H](C)c1ccccc1)S(=O)(=O)Cc1nccn1C ZINC000161201216 138642626 /nfs/dbraw/zinc/64/26/26/138642626.db2.gz MVOANEVYOYPYOH-KBPBESRZSA-N 0 3 349.456 1.643 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)[C@H]1SCCc2ccccc21 ZINC000160346288 283967186 /nfs/dbraw/zinc/96/71/86/283967186.db2.gz MHOVSQNYNDAQTN-WBVHZDCISA-N 0 3 334.485 1.980 20 70 EDIDHN O=C(CC1(N2CCOCC2)CCCC1)NC[C@H](O)c1ccsc1 ZINC000159669289 225258254 /nfs/dbraw/zinc/25/82/54/225258254.db2.gz RQRZGOBEIPLJDV-HNNXBMFYSA-N 0 3 338.473 1.933 20 70 EDIDHN O=C(C[C@@H]1OCCc2ccccc21)NC[C@@H](O)CN1CCCCC1 ZINC000160134939 225345461 /nfs/dbraw/zinc/34/54/61/225345461.db2.gz MBFUXWVFZAVLRG-AEFFLSMTSA-N 0 3 332.444 1.654 20 70 EDIDHN CN(C)[C@H](CNC(=O)CN(C)CCCn1ccnc1)c1ccccc1 ZINC000160152993 225350275 /nfs/dbraw/zinc/35/02/75/225350275.db2.gz FODIMNJKDVDCGV-GOSISDBHSA-N 0 3 343.475 1.624 20 70 EDIDHN COc1ccc(O[C@H](C)C(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000160302059 267498824 /nfs/dbraw/zinc/49/88/24/267498824.db2.gz LLGWTOXLRLTFKZ-HUUCEWRRSA-N 0 3 336.432 1.426 20 70 EDIDHN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)C[C@@H]1CNCCO1 ZINC000161060606 272930417 /nfs/dbraw/zinc/93/04/17/272930417.db2.gz CQIHKEZUXUQDAE-OAHLLOKOSA-N 0 3 333.432 1.469 20 70 EDIDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC(=O)OC(C)C ZINC000160101923 441858284 /nfs/dbraw/zinc/85/82/84/441858284.db2.gz DKRPNXIGNPERSF-CABCVRRESA-N 0 3 325.453 1.986 20 70 EDIDHN CCN1CCCN(C(=O)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000159666398 441828621 /nfs/dbraw/zinc/82/86/21/441828621.db2.gz ZJMOAUCXBWMCES-ZDUSSCGKSA-N 0 3 346.431 1.816 20 70 EDIDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC1(C2CC2)CC1 ZINC000159841715 441841157 /nfs/dbraw/zinc/84/11/57/441841157.db2.gz QUIQCRUOKJUTHI-OAHLLOKOSA-N 0 3 336.480 1.419 20 70 EDIDHN CCCN1CCCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000160364887 441873938 /nfs/dbraw/zinc/87/39/38/441873938.db2.gz MASHSHALHRCZDW-UHFFFAOYSA-N 0 3 329.400 1.227 20 70 EDIDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC2(C1)OCCO2 ZINC000159939573 441849186 /nfs/dbraw/zinc/84/91/86/441849186.db2.gz ZREHGCLEXZJOBG-WBVHZDCISA-N 0 3 345.443 1.665 20 70 EDIDHN O=C(NCC1CCN(CCO)CC1)c1cncc(Br)c1 ZINC000160610677 441901935 /nfs/dbraw/zinc/90/19/35/441901935.db2.gz QVUOAZRHSPRZGE-UHFFFAOYSA-N 0 3 342.237 1.278 20 70 EDIDHN CCc1noc(C)c1NC(=O)C(=O)NCCN1CCCC[C@@H]1CC ZINC000160608590 441902343 /nfs/dbraw/zinc/90/23/43/441902343.db2.gz VKFHTCBTDZDWSO-ZDUSSCGKSA-N 0 3 336.436 1.865 20 70 EDIDHN CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)[C@H](C)N)CC2)cc1 ZINC000161254465 441976935 /nfs/dbraw/zinc/97/69/35/441976935.db2.gz SKLRKVXSWOHERC-KBPBESRZSA-N 0 3 333.432 1.034 20 70 EDIDHN Cn1ccnc1N1CCN(CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000160922232 441936945 /nfs/dbraw/zinc/93/69/45/441936945.db2.gz UTUYMDPNGAEMHM-UHFFFAOYSA-N 0 3 347.507 1.827 20 70 EDIDHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H](C)C1CCOCC1 ZINC000161088302 441955569 /nfs/dbraw/zinc/95/55/69/441955569.db2.gz WRDBXVKASBYHBD-AWEZNQCLSA-N 0 3 347.459 1.926 20 70 EDIDHN C[C@@]1(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CCC[NH2+]C1 ZINC000161445581 442001088 /nfs/dbraw/zinc/00/10/88/442001088.db2.gz QQNAKJFMGJGQJP-GOSISDBHSA-N 0 3 331.416 1.066 20 70 EDIDHN O=C(CNC[C@@H]1CCCO1)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000161304285 441983645 /nfs/dbraw/zinc/98/36/45/441983645.db2.gz ZPRIEKSVEAZJRK-KRWDZBQOSA-N 0 3 346.406 1.439 20 70 EDIDHN Cc1ccc(NC(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)cn1 ZINC000161355312 441990014 /nfs/dbraw/zinc/99/00/14/441990014.db2.gz FVODHPMDIAYLRH-VNHYZAJKSA-N 0 3 332.448 1.811 20 70 EDIDHN CCN1CCCN(C(=O)NCCOc2cccc(NC(C)=O)c2)CC1 ZINC000159821760 529024148 /nfs/dbraw/zinc/02/41/48/529024148.db2.gz KWIAQETVKZWLKA-UHFFFAOYSA-N 0 3 348.447 1.761 20 70 EDIDHN CCN1CCCN(C(=O)NCc2ccc(-n3ccnc3C)nc2)CC1 ZINC000159717759 529027806 /nfs/dbraw/zinc/02/78/06/529027806.db2.gz SMMHUVBYGDDRSY-UHFFFAOYSA-N 0 3 342.447 1.813 20 70 EDIDHN CC[C@H](N)C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000160135745 529442108 /nfs/dbraw/zinc/44/21/08/529442108.db2.gz KSSMYGTUIPHNKS-NWDGAFQWSA-N 0 3 345.321 1.544 20 70 EDIDHN COc1ccc(CCC(=O)NC[C@@H](O)CN2CCCCC2)cc1F ZINC000160350388 533459041 /nfs/dbraw/zinc/45/90/41/533459041.db2.gz BDMVHFYSNRCQJC-OAHLLOKOSA-N 0 3 338.423 1.730 20 70 EDIDHN C[C@H](C(=O)NC(=O)NC1CCCCC1)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159831613 225286515 /nfs/dbraw/zinc/28/65/15/225286515.db2.gz KGUXCRQSLBFGEB-IPYPFGDCSA-N 0 3 325.453 1.626 20 70 EDIDHN CN(C)CCn1ccc(NC(=O)NCCC[C@@H]2CCCC[C@@H]2O)n1 ZINC000160079334 441857867 /nfs/dbraw/zinc/85/78/67/441857867.db2.gz UMGFJWJSOHLHLK-GJZGRUSLSA-N 0 3 337.468 1.898 20 70 EDIDHN COc1ccc2c(c1)OC[C@H](C(=O)NC[C@@H](O)CN1CCCCC1)C2 ZINC000160115142 441859964 /nfs/dbraw/zinc/85/99/64/441859964.db2.gz NAWJRHDQANSFOE-HZPDHXFCSA-N 0 3 348.443 1.209 20 70 EDIDHN O=C(COCCOc1ccccc1)NC[C@@H](O)CN1CCCCC1 ZINC000160169037 441863358 /nfs/dbraw/zinc/86/33/58/441863358.db2.gz RLOVKIUAFOBGPQ-MRXNPFEDSA-N 0 3 336.432 1.045 20 70 EDIDHN CCCN(CC)c1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cn1 ZINC000160323450 441872354 /nfs/dbraw/zinc/87/23/54/441872354.db2.gz XRFVXZNWSUFHGI-QGZVFWFLSA-N 0 3 348.491 1.895 20 70 EDIDHN C[C@@H](C(=O)NC[C@@H](O)CN1CCCCC1)N1CCc2ccccc2C1 ZINC000159943296 441849249 /nfs/dbraw/zinc/84/92/49/441849249.db2.gz KHXKNYHIULZINS-QFBILLFUSA-N 0 3 345.487 1.396 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cccc(-n2cccn2)c1 ZINC000160035531 441856162 /nfs/dbraw/zinc/85/61/62/441856162.db2.gz PPFXOPBLLKFJRD-QGZVFWFLSA-N 0 3 328.416 1.449 20 70 EDIDHN O=C(NCC1CCN(CCO)CC1)c1ccccc1-n1cccn1 ZINC000160710268 441912434 /nfs/dbraw/zinc/91/24/34/441912434.db2.gz USXPBXKGCZZPRF-UHFFFAOYSA-N 0 3 328.416 1.306 20 70 EDIDHN CC(=O)Nc1ccc(CC(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160493017 441888193 /nfs/dbraw/zinc/88/81/93/441888193.db2.gz AKPQNLCTGPWYRH-KRWDZBQOSA-N 0 3 333.432 1.151 20 70 EDIDHN COC(=O)Cn1cc(CCN(C)CCOc2ccccc2C)nn1 ZINC000160489065 441888366 /nfs/dbraw/zinc/88/83/66/441888366.db2.gz BQAIDTHVAXPHTP-UHFFFAOYSA-N 0 3 332.404 1.313 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000160501397 441889482 /nfs/dbraw/zinc/88/94/82/441889482.db2.gz APLAHWJLEGPSBA-KRWDZBQOSA-N 0 3 345.443 1.390 20 70 EDIDHN COC(=O)c1csc(NC(=O)Nc2cnn(CCN(C)C)c2)c1 ZINC000160941922 441939235 /nfs/dbraw/zinc/93/92/35/441939235.db2.gz KJYAHXXDLRKDJV-UHFFFAOYSA-N 0 3 337.405 1.937 20 70 EDIDHN O=C(CCCNC(=O)c1cccnc1)N1CCN(C2CCCC2)CC1 ZINC000161187212 441968019 /nfs/dbraw/zinc/96/80/19/441968019.db2.gz APUKKWGPWCPSNK-UHFFFAOYSA-N 0 3 344.459 1.678 20 70 EDIDHN CC(=O)N1CSC[C@H]1C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000161503978 442006033 /nfs/dbraw/zinc/00/60/33/442006033.db2.gz QIVWFFXORXVGPX-HNNXBMFYSA-N 0 3 339.461 1.400 20 70 EDIDHN COc1cc(F)c(S(=O)(=O)[N-][C@@](C)(C[NH3+])CC(C)C)cc1OC ZINC000160162949 533985728 /nfs/dbraw/zinc/98/57/28/533985728.db2.gz KTTAMZVZQNKGHY-OAHLLOKOSA-N 0 3 348.440 1.885 20 70 EDIDHN CCN1CCN(C[C@H](C)CNC(=O)c2cccc3[nH]cnc32)CC1 ZINC000159522274 529148133 /nfs/dbraw/zinc/14/81/33/529148133.db2.gz JDSQHSBWDHBOLJ-CQSZACIVSA-N 0 3 329.448 1.566 20 70 EDIDHN CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@@H](N3CCCC3)C2)c1CC ZINC000160290480 529696290 /nfs/dbraw/zinc/69/62/90/529696290.db2.gz NWNYBBCFTOVEMP-CYBMUJFWSA-N 0 3 347.463 1.274 20 70 EDIDHN C[C@@H](C(=O)NCc1cccs1)N1CCN(c2ccncc2)CC1 ZINC000161386275 539484864 /nfs/dbraw/zinc/48/48/64/539484864.db2.gz NDDPLQGEEPCHBQ-AWEZNQCLSA-N 0 3 330.457 1.970 20 70 EDIDHN O=C(c1cccc2[nH]cnc21)N1CCC[C@H](CN2CCOCC2)C1 ZINC000159505812 225229849 /nfs/dbraw/zinc/22/98/49/225229849.db2.gz PEBJNSVBNUYRTP-CQSZACIVSA-N 0 3 328.416 1.747 20 70 EDIDHN O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@H](O)CN1CCCCC1 ZINC000160336782 225390309 /nfs/dbraw/zinc/39/03/09/225390309.db2.gz HIDKNKKRVGVGBL-ZKKXHLJNSA-N 0 3 332.400 1.392 20 70 EDIDHN Cc1c(CNC(=O)NCc2cccc(OCCN(C)C)c2)cnn1C ZINC000160150603 225348058 /nfs/dbraw/zinc/34/80/58/225348058.db2.gz KZCVUAUYLFYJKR-UHFFFAOYSA-N 0 3 345.447 1.668 20 70 EDIDHN Cc1cnn(-c2ccc(C(=O)NC[C@H](O)CN3CCCCC3)cc2)c1 ZINC000160146713 441863269 /nfs/dbraw/zinc/86/32/69/441863269.db2.gz ARZOIAMSZKWQQM-SFHVURJKSA-N 0 3 342.443 1.757 20 70 EDIDHN C[C@@H]1C[C@H](NC(=O)N2CCC3(C2)OCCO3)CN1Cc1ccccc1 ZINC000160324550 441872224 /nfs/dbraw/zinc/87/22/24/441872224.db2.gz ZQQHXNSCUKDAQK-WBVHZDCISA-N 0 3 345.443 1.808 20 70 EDIDHN CN(C)Cc1cc(CNC(=O)CN(C)[C@@H]2CCSC2)ccc1F ZINC000159634953 441826670 /nfs/dbraw/zinc/82/66/70/441826670.db2.gz ZGEFDHGKVCPFFV-OAHLLOKOSA-N 0 3 339.480 1.941 20 70 EDIDHN CCN1CCC[C@@H]1CNC(=O)CNC(=O)CCc1ccc(C)cc1 ZINC000160067699 441856630 /nfs/dbraw/zinc/85/66/30/441856630.db2.gz RKIKZPJTFUNDHD-QGZVFWFLSA-N 0 3 331.460 1.644 20 70 EDIDHN CC(C)c1nn(C)c(Cl)c1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160608694 441902500 /nfs/dbraw/zinc/90/25/00/441902500.db2.gz MVYYRHWFUPAMFU-GFCCVEGCSA-N 0 3 342.871 1.774 20 70 EDIDHN CCN1CCN(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CC1 ZINC000161207765 441972709 /nfs/dbraw/zinc/97/27/09/441972709.db2.gz JJKLMFVOEWGXHJ-MRXNPFEDSA-N 0 3 345.491 1.954 20 70 EDIDHN O=C(Nc1ccsc1C(=O)N1CCCNCC1)c1ccncc1 ZINC000160869503 441930080 /nfs/dbraw/zinc/93/00/80/441930080.db2.gz YJRWHJZMMVDNRX-UHFFFAOYSA-N 0 3 330.413 1.831 20 70 EDIDHN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)[C@]3(F)CCNC3)ccc2NC1=O ZINC000161382837 441993909 /nfs/dbraw/zinc/99/39/09/441993909.db2.gz UCMPCULUBWAEDV-PGQWDYDZSA-N 0 3 335.379 1.675 20 70 EDIDHN NC(=O)c1cccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000161400876 441996940 /nfs/dbraw/zinc/99/69/40/441996940.db2.gz QMXTZBXEJTVMLP-OAHLLOKOSA-N 0 3 325.416 1.703 20 70 EDIDHN Cc1cc(NC(=O)CCN2CCC[C@@H](c3nnc4n3CCC4)C2)no1 ZINC000161360026 441990257 /nfs/dbraw/zinc/99/02/57/441990257.db2.gz CUQANQUAQBBMNI-CYBMUJFWSA-N 0 3 344.419 1.729 20 70 EDIDHN CN(C)C[C@@](C)(O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000161502919 442005823 /nfs/dbraw/zinc/00/58/23/442005823.db2.gz PPXZIPWFLFQGCF-LBPRGKRZSA-N 0 3 340.367 1.296 20 70 EDIDHN CC(C)[C@@H](N)C(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000161491570 442006078 /nfs/dbraw/zinc/00/60/78/442006078.db2.gz IEAYUIHMBVGUIQ-DGCLKSJQSA-N 0 3 328.796 1.244 20 70 EDIDHN CC(C)C[C@@H](N)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000160975065 486640988 /nfs/dbraw/zinc/64/09/88/486640988.db2.gz XUWIKNRDJMIURY-GDBMZVCRSA-N 0 3 333.432 1.156 20 70 EDIDHN Cc1onc(-c2ccccn2)c1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160200094 534597959 /nfs/dbraw/zinc/59/79/59/534597959.db2.gz HOCHTWFYSOHZHE-CQSZACIVSA-N 0 3 344.415 1.622 20 70 EDIDHN O=C(NCc1ccccc1CN1CCC(O)CC1)[C@H]1CCCCO1 ZINC000159786490 534682788 /nfs/dbraw/zinc/68/27/88/534682788.db2.gz QSRMTRUDMXWAAJ-GOSISDBHSA-N 0 3 332.444 1.829 20 70 EDIDHN C=C1c2ccccc2C(=O)N1CC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160250994 526911783 /nfs/dbraw/zinc/91/17/83/526911783.db2.gz MEWIJFRYYUEFHE-OAHLLOKOSA-N 0 3 343.427 1.076 20 70 EDIDHN CNC(=O)c1ccc(/C=C/C(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160143672 529934130 /nfs/dbraw/zinc/93/41/30/529934130.db2.gz FPVCOFSENHVEMH-JEJOPICUSA-N 0 3 345.443 1.022 20 70 EDIDHN CSCC[C@H](N)C(=O)NCC(=O)OCc1ccccc1Cl ZINC000160090643 533645737 /nfs/dbraw/zinc/64/57/37/533645737.db2.gz HWASZGFCTGLOCG-LBPRGKRZSA-N 0 3 330.837 1.580 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(-c2ncon2)cc1 ZINC000160300867 225383034 /nfs/dbraw/zinc/38/30/34/225383034.db2.gz ZTMQCWQHPVMCIO-HNNXBMFYSA-N 0 3 330.388 1.313 20 70 EDIDHN CN(C)CCOc1cccc(CNC(=O)N2CCC[C@@](C)(O)C2)c1 ZINC000160211691 225361850 /nfs/dbraw/zinc/36/18/50/225361850.db2.gz CTSMHXYEYKXOLH-GOSISDBHSA-N 0 3 335.448 1.683 20 70 EDIDHN NC(=O)CNC(=O)c1ccc(CN[C@H]2CCc3cc(F)ccc32)cc1 ZINC000160950494 225512314 /nfs/dbraw/zinc/51/23/14/225512314.db2.gz MWQLELNVBJHNNC-KRWDZBQOSA-N 0 3 341.386 1.818 20 70 EDIDHN O=C(CCc1cccc(F)c1F)NC[C@H](O)CN1CCCCC1 ZINC000160323060 267501857 /nfs/dbraw/zinc/50/18/57/267501857.db2.gz REUPOSMXJSOESB-AWEZNQCLSA-N 0 3 326.387 1.860 20 70 EDIDHN CC(C)(C)c1noc(CCC(=O)NC[C@H](O)CN2CCCCC2)n1 ZINC000160468974 272929775 /nfs/dbraw/zinc/92/97/75/272929775.db2.gz OTUQNQXGLLHVAY-ZDUSSCGKSA-N 0 3 338.452 1.263 20 70 EDIDHN CCN(C(=O)N[C@@H]1CCN(C)C1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000160339683 441873465 /nfs/dbraw/zinc/87/34/65/441873465.db2.gz YPROSABIIOIOII-DLBZAZTESA-N 0 3 344.459 1.523 20 70 EDIDHN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160050170 441856153 /nfs/dbraw/zinc/85/61/53/441856153.db2.gz IAXPRTKBIYITIP-CHWSQXEVSA-N 0 3 342.386 1.695 20 70 EDIDHN O=C(Cc1c(F)cccc1Cl)NCC1CCN(CCO)CC1 ZINC000160629884 441903638 /nfs/dbraw/zinc/90/36/38/441903638.db2.gz JCSJIHIIIOCKFK-UHFFFAOYSA-N 0 3 328.815 1.842 20 70 EDIDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000160755626 441916599 /nfs/dbraw/zinc/91/65/99/441916599.db2.gz MWLGRDUNUCTGIQ-CHWSQXEVSA-N 0 3 330.432 1.717 20 70 EDIDHN COCCN(C)CCCNC(=O)NC1(c2cccc(OC)c2)CC1 ZINC000160773748 441919247 /nfs/dbraw/zinc/91/92/47/441919247.db2.gz IKAWWAUREKLNEQ-UHFFFAOYSA-N 0 3 335.448 1.952 20 70 EDIDHN CNS(=O)(=O)c1ccc([C@H](C)N[C@@H](CCO)CSC)cc1 ZINC000160404765 441877550 /nfs/dbraw/zinc/87/75/50/441877550.db2.gz WBRUHQIWMXYFHQ-AAEUAGOBSA-N 0 3 332.491 1.359 20 70 EDIDHN O=C(C[C@@H]1C(=O)Nc2ccccc21)NC[C@H](O)CN1CCCCC1 ZINC000160417207 441880914 /nfs/dbraw/zinc/88/09/14/441880914.db2.gz MKZFJAUCSAOAMF-ZFWWWQNUSA-N 0 3 331.416 1.075 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1csc([C@H]2CCCO2)n1 ZINC000160427341 441881924 /nfs/dbraw/zinc/88/19/24/441881924.db2.gz MBPIIKLUQSQALD-GXTWGEPZSA-N 0 3 339.461 1.571 20 70 EDIDHN O=C(C[C@H]1CCOc2ccccc21)NCC1CCN(CCO)CC1 ZINC000160539492 441894033 /nfs/dbraw/zinc/89/40/33/441894033.db2.gz CGTUOPNAFMCRDJ-MRXNPFEDSA-N 0 3 332.444 1.763 20 70 EDIDHN O=C(NCC1CCN(CCO)CC1)c1csc(Br)c1 ZINC000160570128 441897857 /nfs/dbraw/zinc/89/78/57/441897857.db2.gz MLGDVQSJJDKRDO-UHFFFAOYSA-N 0 3 347.278 1.945 20 70 EDIDHN CC(C(=O)NCCc1cccs1)S(=O)(=O)Cc1nccn1C ZINC000161196473 441969648 /nfs/dbraw/zinc/96/96/48/441969648.db2.gz DKRYLNLRRORBAJ-LLVKDONJSA-N 0 3 341.458 1.144 20 70 EDIDHN C[C@H](C(=O)NC(C)(C)CCS(C)(=O)=O)[C@@H](N)c1ccccc1 ZINC000161035474 441949078 /nfs/dbraw/zinc/94/90/78/441949078.db2.gz JSBXIQYDEDBYDO-GXTWGEPZSA-N 0 3 326.462 1.652 20 70 EDIDHN Cc1ccccc1CNC(=O)C(C)S(=O)(=O)Cc1nccn1C ZINC000161172353 441965808 /nfs/dbraw/zinc/96/58/08/441965808.db2.gz RKEQUJJETKOYDP-CYBMUJFWSA-N 0 3 335.429 1.348 20 70 EDIDHN C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)c2cccc(F)c2)CC1 ZINC000161448880 442000457 /nfs/dbraw/zinc/00/04/57/442000457.db2.gz QSLAQLQPBMHGCK-CYBMUJFWSA-N 0 3 344.452 1.539 20 70 EDIDHN Cc1cc(NC(=O)CCN2CCC[C@H](c3nnc4n3CCC4)C2)no1 ZINC000161359884 441989919 /nfs/dbraw/zinc/98/99/19/441989919.db2.gz CUQANQUAQBBMNI-ZDUSSCGKSA-N 0 3 344.419 1.729 20 70 EDIDHN CC(C)[C@H](N)C(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000161491450 442005803 /nfs/dbraw/zinc/00/58/03/442005803.db2.gz IEAYUIHMBVGUIQ-YPMHNXCESA-N 0 3 328.796 1.244 20 70 EDIDHN CCN(C)C(=O)CNC[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000218209392 443058019 /nfs/dbraw/zinc/05/80/19/443058019.db2.gz LQGSSLQLGYZPNC-LLVKDONJSA-N 0 3 335.231 1.801 20 70 EDIDHN O=C(CCCOc1ccccc1F)NC[C@H](O)CN1CCCCC1 ZINC000160184671 534370952 /nfs/dbraw/zinc/37/09/52/534370952.db2.gz FPJCLAKGGMKMIR-HNNXBMFYSA-N 0 3 338.423 1.948 20 70 EDIDHN CC(=O)c1cccc(O[C@@H](C)C(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160268085 527382098 /nfs/dbraw/zinc/38/20/98/527382098.db2.gz MDLZAOGAJYQEBS-RDJZCZTQSA-N 0 3 348.443 1.620 20 70 EDIDHN CCOc1ncc(C(=O)NC[C@H](O)CN2CCCCC2)cc1Cl ZINC000160204510 528777633 /nfs/dbraw/zinc/77/76/33/528777633.db2.gz YRCSTSRFDHBZOY-ZDUSSCGKSA-N 0 3 341.839 1.710 20 70 EDIDHN CCN1CCN(CCCNC(=O)c2ccnc(-n3cccn3)c2)CC1 ZINC000159809445 529144734 /nfs/dbraw/zinc/14/47/34/529144734.db2.gz CTRUNQQRPGVLAY-UHFFFAOYSA-N 0 3 342.447 1.025 20 70 EDIDHN CN1CCN(C)[C@@H](CNCc2ccc(Br)c(F)c2)C1 ZINC000217844780 536410312 /nfs/dbraw/zinc/41/03/12/536410312.db2.gz NHLRIMGZJSZTCE-LBPRGKRZSA-N 0 3 330.245 1.924 20 70 EDIDHN CCc1cccc(NC(=O)CNC(=O)N2CCCN(CC)CC2)c1 ZINC000159785653 529536016 /nfs/dbraw/zinc/53/60/16/529536016.db2.gz AQEKCUFGXYUEFU-UHFFFAOYSA-N 0 3 332.448 1.925 20 70 EDIDHN COC1CCN(CCNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160320649 540022214 /nfs/dbraw/zinc/02/22/14/540022214.db2.gz ADWJSWWDDDKLDD-ZBFHGGJFSA-N 0 3 325.453 1.354 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cccnc1SC(F)F ZINC000160549950 283966770 /nfs/dbraw/zinc/96/67/70/283966770.db2.gz LSRYOLRMWHAEOC-LLVKDONJSA-N 0 3 345.415 1.973 20 70 EDIDHN COc1c(F)ccc(F)c1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160129724 533437996 /nfs/dbraw/zinc/43/79/96/533437996.db2.gz LNCMAIXEWQMXRE-LLVKDONJSA-N 0 3 328.359 1.550 20 70 EDIDHN Cc1cc(C(=O)NC[C@H](O)CN2CCCCC2)nn1-c1ccccc1 ZINC000160305937 441871093 /nfs/dbraw/zinc/87/10/93/441871093.db2.gz QAZKAHXFZFJOKZ-KRWDZBQOSA-N 0 3 342.443 1.757 20 70 EDIDHN CCN(CC)CC(=O)N1CCN(Cc2cnc3ccccn23)CC1 ZINC000159795337 441838593 /nfs/dbraw/zinc/83/85/93/441838593.db2.gz PTKNRCAYHBQFEB-UHFFFAOYSA-N 0 3 329.448 1.320 20 70 EDIDHN CC(=O)Nc1ccc(CC(=O)NCC2CCN(CCO)CC2)cc1 ZINC000160602812 441901154 /nfs/dbraw/zinc/90/11/54/441901154.db2.gz RHUOVFJZSSSARD-UHFFFAOYSA-N 0 3 333.432 1.008 20 70 EDIDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)NCc1ccnn1C ZINC000160429836 441882020 /nfs/dbraw/zinc/88/20/20/441882020.db2.gz OXGSFBKREJNUFB-UHFFFAOYSA-N 0 3 342.447 1.873 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1csc(-c2ccoc2)n1 ZINC000160440129 441883674 /nfs/dbraw/zinc/88/36/74/441883674.db2.gz JAHMATQTQKCXAR-CYBMUJFWSA-N 0 3 335.429 1.980 20 70 EDIDHN CCN(C)[C@H](C(=O)NC[C@H](O)CN1CCCCC1)c1ccccc1 ZINC000160510800 441891112 /nfs/dbraw/zinc/89/11/12/441891112.db2.gz YNZNPVXSRLJEPA-ROUUACIJSA-N 0 3 333.476 1.642 20 70 EDIDHN CC(C(=O)NCC1CCCCC1)S(=O)(=O)Cc1nccn1C ZINC000161193025 441970087 /nfs/dbraw/zinc/97/00/87/441970087.db2.gz YYKANQXBASPBBW-GFCCVEGCSA-N 0 3 327.450 1.420 20 70 EDIDHN CC(C(=O)N1[C@H](C)CCC[C@@H]1C)S(=O)(=O)Cc1nccn1C ZINC000161202935 441970963 /nfs/dbraw/zinc/97/09/63/441970963.db2.gz MBTMUOFNRNYOQN-FRRDWIJNSA-N 0 3 327.450 1.513 20 70 EDIDHN CCN(CC)CCNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C ZINC000161243997 441976184 /nfs/dbraw/zinc/97/61/84/441976184.db2.gz PUFKCEHGHVCYOU-UHFFFAOYSA-N 0 3 343.431 1.577 20 70 EDIDHN CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000161095537 441956524 /nfs/dbraw/zinc/95/65/24/441956524.db2.gz KWGXIQFTLAJHRR-MRXNPFEDSA-N 0 3 345.443 1.551 20 70 EDIDHN CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000161095537 441956526 /nfs/dbraw/zinc/95/65/26/441956526.db2.gz KWGXIQFTLAJHRR-MRXNPFEDSA-N 0 3 345.443 1.551 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc2c(c(Cl)c1)OCO2 ZINC000159931247 534537750 /nfs/dbraw/zinc/53/77/50/534537750.db2.gz FAPMCYRMVYLZQB-GFCCVEGCSA-N 0 3 340.807 1.645 20 70 EDIDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCNC(=O)[C@@H]1C ZINC000159983532 225315196 /nfs/dbraw/zinc/31/51/96/225315196.db2.gz ITZFPBDTWIZMQC-YCPHGPKFSA-N 0 3 330.432 1.037 20 70 EDIDHN CC(C)CN(CCN(C)C)C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000159562433 441821524 /nfs/dbraw/zinc/82/15/24/441821524.db2.gz KVCGHGFCFVJTLG-OAHLLOKOSA-N 0 3 337.468 1.971 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000160155613 441863041 /nfs/dbraw/zinc/86/30/41/441863041.db2.gz MANOLSGMARCLHM-QGZVFWFLSA-N 0 3 328.416 1.449 20 70 EDIDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cnc2c(c1)ncn2C ZINC000160186608 441863903 /nfs/dbraw/zinc/86/39/03/441863903.db2.gz VGXVUHFKZTUVKK-INIZCTEOSA-N 0 3 337.427 1.871 20 70 EDIDHN CC[C@H](CNC(=O)C1(NC(N)=O)CC1)N1CCc2ccccc2C1 ZINC000159947746 441849072 /nfs/dbraw/zinc/84/90/72/441849072.db2.gz KDBVFRURVIGDRV-OAHLLOKOSA-N 0 3 330.432 1.140 20 70 EDIDHN COCCN(Cc1cccnc1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160676951 441908259 /nfs/dbraw/zinc/90/82/59/441908259.db2.gz BRUKIOIYDQEFTG-KRWDZBQOSA-N 0 3 332.448 1.724 20 70 EDIDHN CCCOc1cccc(CC(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160404983 441878077 /nfs/dbraw/zinc/87/80/77/441878077.db2.gz JEBKNFOHMMOZJG-KRWDZBQOSA-N 0 3 334.460 1.981 20 70 EDIDHN CNS(=O)(=O)c1ccc([C@H](C)N[C@H](CCO)CSC)cc1 ZINC000160404985 441878354 /nfs/dbraw/zinc/87/83/54/441878354.db2.gz WBRUHQIWMXYFHQ-WCQYABFASA-N 0 3 332.491 1.359 20 70 EDIDHN CC(C)N(C)CCNC(=O)C(=O)Nc1ccc2oc(N(C)C)nc2c1 ZINC000160424626 441880860 /nfs/dbraw/zinc/88/08/60/441880860.db2.gz QIEYZUVOIDMNRR-UHFFFAOYSA-N 0 3 347.419 1.289 20 70 EDIDHN COC(=O)c1ccc(C(=O)NC[C@H](O)CN2CCCCC2)s1 ZINC000160550373 441895360 /nfs/dbraw/zinc/89/53/60/441895360.db2.gz GBQLUZBISKEAPD-NSHDSACASA-N 0 3 326.418 1.111 20 70 EDIDHN CC(C)(C)n1nc(C(=O)NCC2CCN(CCO)CC2)cc1C1CC1 ZINC000160561854 441896877 /nfs/dbraw/zinc/89/68/77/441896877.db2.gz XXABFJZCDFMBQP-UHFFFAOYSA-N 0 3 348.491 1.950 20 70 EDIDHN CCCNC(=O)c1cccc(C(=O)NCC2CCN(CCO)CC2)c1 ZINC000160579277 441899167 /nfs/dbraw/zinc/89/91/67/441899167.db2.gz HJPAKNWNIYEOQK-UHFFFAOYSA-N 0 3 347.459 1.261 20 70 EDIDHN O=S(=O)(CCCF)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000161125247 441961384 /nfs/dbraw/zinc/96/13/84/441961384.db2.gz BTIMSMDHQNRVBJ-UHFFFAOYSA-N 0 3 344.452 1.422 20 70 EDIDHN Cc1ccc(NC(=O)C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)cn1 ZINC000161355216 441990083 /nfs/dbraw/zinc/99/00/83/441990083.db2.gz FVODHPMDIAYLRH-GUTXKFCHSA-N 0 3 332.448 1.811 20 70 EDIDHN CCOC[C@H](O)CN1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000217183481 486649927 /nfs/dbraw/zinc/64/99/27/486649927.db2.gz APYMHERTMHDISX-LSDHHAIUSA-N 0 3 330.469 1.963 20 70 EDIDHN CCC[C@H]1CN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CCO1 ZINC000159575310 528399453 /nfs/dbraw/zinc/39/94/53/528399453.db2.gz GZPMMKNQZRMIPX-ROUUACIJSA-N 0 3 333.476 1.906 20 70 EDIDHN CCN1CCC[C@H]1CNC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000160362775 540023258 /nfs/dbraw/zinc/02/32/58/540023258.db2.gz OPALSFKNNDGRDI-KRWDZBQOSA-N 0 3 331.464 1.393 20 70 EDIDHN C[C@@H](N[C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NC(=O)NC1CC1 ZINC000159839781 533501625 /nfs/dbraw/zinc/50/16/25/533501625.db2.gz ZFAVYIORMJEBBI-NWDGAFQWSA-N 0 3 342.403 1.295 20 70 EDIDHN COCCOc1ccccc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000159912737 225301332 /nfs/dbraw/zinc/30/13/32/225301332.db2.gz UQJIFRICSCJFNT-HNNXBMFYSA-N 0 3 336.432 1.288 20 70 EDIDHN O=C(CCn1cnc2ccccc21)NC[C@@H](O)CN1CCCCC1 ZINC000160380080 225399225 /nfs/dbraw/zinc/39/92/25/225399225.db2.gz WCZGKKZKLNTTCQ-OAHLLOKOSA-N 0 3 330.432 1.389 20 70 EDIDHN C[C@H]1CCCN(CCNC(=O)N2CCCN(CC(F)F)CC2)C1 ZINC000160307759 441870542 /nfs/dbraw/zinc/87/05/42/441870542.db2.gz CKEGNWOMWQONGV-AWEZNQCLSA-N 0 3 332.439 1.701 20 70 EDIDHN COCCN(CCOC)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000159986646 441852385 /nfs/dbraw/zinc/85/23/85/441852385.db2.gz GIZFVBDKMWGKQO-WMZOPIPTSA-N 0 3 349.475 1.811 20 70 EDIDHN CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccccc1-n1cccn1 ZINC000160829673 441926306 /nfs/dbraw/zinc/92/63/06/441926306.db2.gz FCVLPPBHTZFDKG-OLZOCXBDSA-N 0 3 329.404 1.757 20 70 EDIDHN COCCN1CCC(NC(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000160788119 441921890 /nfs/dbraw/zinc/92/18/90/441921890.db2.gz YRRGHGRWRUWPGT-UHFFFAOYSA-N 0 3 349.357 1.678 20 70 EDIDHN CCN1CCN(CCCCNC(=O)NC[C@]2(C)CCCS2)CC1 ZINC000160401549 441877510 /nfs/dbraw/zinc/87/75/10/441877510.db2.gz YVOFUJKTSCMTIC-KRWDZBQOSA-N 0 3 342.553 1.989 20 70 EDIDHN COc1ccc(OC)c(CC(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160449289 441884153 /nfs/dbraw/zinc/88/41/53/441884153.db2.gz VGCNXRDIMOUGJO-OAHLLOKOSA-N 0 3 336.432 1.209 20 70 EDIDHN CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H]2CCc3nc(C)nn3C2)c1 ZINC000160458207 441886128 /nfs/dbraw/zinc/88/61/28/441886128.db2.gz OTAIBOPVYFYEEM-BXUZGUMPSA-N 0 3 349.460 1.160 20 70 EDIDHN NC(=O)c1cccc(CN2CCC(c3ccnn3CCO)CC2)c1 ZINC000160563301 441897452 /nfs/dbraw/zinc/89/74/52/441897452.db2.gz FMIDCXCCVAZZCP-UHFFFAOYSA-N 0 3 328.416 1.354 20 70 EDIDHN COc1cccc([C@@H]2C[C@H]2C(=O)NCC2CCN(CCO)CC2)c1 ZINC000160604013 441900405 /nfs/dbraw/zinc/90/04/05/441900405.db2.gz LCPIBYLLOMPPDD-ZWKOTPCHSA-N 0 3 332.444 1.619 20 70 EDIDHN CCn1cnnc1[C@@H]1CCCN(CC(=O)NC2CCN(CC)CC2)C1 ZINC000161424460 441997570 /nfs/dbraw/zinc/99/75/70/441997570.db2.gz MFQTTXREYHEGGG-OAHLLOKOSA-N 0 3 348.495 1.078 20 70 EDIDHN CCN(CC(=O)Nc1cc(S(N)(=O)=O)ccc1C)C1CCCC1 ZINC000161468270 442003500 /nfs/dbraw/zinc/00/35/00/442003500.db2.gz PKVVYZUUFUMWMQ-UHFFFAOYSA-N 0 3 339.461 1.845 20 70 EDIDHN C[C@H](N[C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NC(=O)NC1CC1 ZINC000159839491 533976006 /nfs/dbraw/zinc/97/60/06/533976006.db2.gz ZFAVYIORMJEBBI-RYUDHWBXSA-N 0 3 342.403 1.295 20 70 EDIDHN CCN1CCCN(C(=O)NCC(=O)N2CCCc3ccccc32)CC1 ZINC000159748960 529023928 /nfs/dbraw/zinc/02/39/28/529023928.db2.gz AMVFBFKYMWSFAP-UHFFFAOYSA-N 0 3 344.459 1.703 20 70 EDIDHN CN(CC(C)(C)CN1CCOCC1)C(=O)c1cccc2[nH]cnc21 ZINC000160358326 529846257 /nfs/dbraw/zinc/84/62/57/529846257.db2.gz IJIBTOOSIWPVJP-UHFFFAOYSA-N 0 3 330.432 1.993 20 70 EDIDHN C[N-]S(=O)(=O)c1cc(C(=O)NCC2([NH3+])CCCCC2)ccc1F ZINC000159548271 530025415 /nfs/dbraw/zinc/02/54/15/530025415.db2.gz MWDPKYFTWZZYCE-UHFFFAOYSA-N 0 3 343.424 1.125 20 70 EDIDHN CSCC[C@@H](N)C(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000159941852 286670373 /nfs/dbraw/zinc/67/03/73/286670373.db2.gz KQQPFPYVNKXGQP-TZMCWYRMSA-N 0 3 339.436 1.470 20 70 EDIDHN C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159470722 225223581 /nfs/dbraw/zinc/22/35/81/225223581.db2.gz QXNCZRUAPMBVJD-QXSJWSMHSA-N 0 3 348.443 1.424 20 70 EDIDHN CN(C)C(=O)Nc1cccc(C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160368225 225397278 /nfs/dbraw/zinc/39/72/78/225397278.db2.gz WRXAMKKIBLAWGY-MRXNPFEDSA-N 0 3 348.447 1.357 20 70 EDIDHN NC(=O)[C@H]1CCCN1C1CCN(CC[S@](=O)c2ccccc2)CC1 ZINC000159366515 441806548 /nfs/dbraw/zinc/80/65/48/441806548.db2.gz JXNFERZFSJVFLE-MZNJEOGPSA-N 0 3 349.500 1.208 20 70 EDIDHN COc1ccc2c(c1)OC[C@H](C(=O)NC[C@H](O)CN1CCCCC1)C2 ZINC000160114895 441860084 /nfs/dbraw/zinc/86/00/84/441860084.db2.gz NAWJRHDQANSFOE-CVEARBPZSA-N 0 3 348.443 1.209 20 70 EDIDHN O=C(CNC(=O)c1ccco1)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000159589071 441823407 /nfs/dbraw/zinc/82/34/07/441823407.db2.gz QLCQAZLFORQOJE-HNNXBMFYSA-N 0 3 349.431 1.113 20 70 EDIDHN CCc1n[nH]c(=O)c(CNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1CC ZINC000159660189 441828009 /nfs/dbraw/zinc/82/80/09/441828009.db2.gz VJSKWORIULPHHB-NWDGAFQWSA-N 0 3 347.463 1.319 20 70 EDIDHN C[C@@H](CCO)NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000159755384 441835563 /nfs/dbraw/zinc/83/55/63/441835563.db2.gz CXVHRJXLSJOREV-AWEZNQCLSA-N 0 3 329.510 1.808 20 70 EDIDHN CCc1noc(C)c1NC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000159981086 441852435 /nfs/dbraw/zinc/85/24/35/441852435.db2.gz ZEAHQTPGFHDDOP-UHFFFAOYSA-N 0 3 336.436 1.865 20 70 EDIDHN CCn1nc(C)c(C(=O)NC[C@H](O)CN2CCCCC2)c1Cl ZINC000160011329 441854289 /nfs/dbraw/zinc/85/42/89/441854289.db2.gz ITDXINPHTCDFQP-LBPRGKRZSA-N 0 3 328.844 1.441 20 70 EDIDHN COc1cccc(COCCNC(=O)N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000160598909 441901029 /nfs/dbraw/zinc/90/10/29/441901029.db2.gz DLJSTQWUVAIZLA-QGZVFWFLSA-N 0 3 345.443 1.868 20 70 EDIDHN C[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccn3)CC2)CN1C1CC1 ZINC000160642039 441904389 /nfs/dbraw/zinc/90/43/89/441904389.db2.gz OTPRUZFWUHGRNI-NVXWUHKLSA-N 0 3 343.475 1.534 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1c(Cl)nc2ccccn21 ZINC000160662083 441906287 /nfs/dbraw/zinc/90/62/87/441906287.db2.gz IGSFAWWOCGEUMH-GFCCVEGCSA-N 0 3 336.823 1.564 20 70 EDIDHN COc1ccc2c(CC(=O)NCC3CCN(CCO)CC3)coc2c1 ZINC000160721216 441913265 /nfs/dbraw/zinc/91/32/65/441913265.db2.gz MSVIIDGNJWRHLQ-UHFFFAOYSA-N 0 3 346.427 1.804 20 70 EDIDHN CC(C(=O)N1[C@@H](C)CCC[C@@H]1C)S(=O)(=O)Cc1nccn1C ZINC000161203051 441970820 /nfs/dbraw/zinc/97/08/20/441970820.db2.gz MBTMUOFNRNYOQN-RWMBFGLXSA-N 0 3 327.450 1.513 20 70 EDIDHN CCC(CC)(CN)C(=O)NCCS(=O)(=O)c1ccc(F)cc1 ZINC000161253686 441977080 /nfs/dbraw/zinc/97/70/80/441977080.db2.gz HUFPTNXVDYPOOL-UHFFFAOYSA-N 0 3 330.425 1.481 20 70 EDIDHN CN(C)CCn1ccc(NC(=O)N[C@H]2c3ccccc3C[C@H]2O)n1 ZINC000161088629 441955070 /nfs/dbraw/zinc/95/50/70/441955070.db2.gz INABJHUVCBTTAW-ZBFHGGJFSA-N 0 3 329.404 1.225 20 70 EDIDHN Cc1ccc(S(=O)(=O)NC[C@](C)(O)CN(C)C)c2cccnc12 ZINC000161453159 442002278 /nfs/dbraw/zinc/00/22/78/442002278.db2.gz DASKEVSBCSTFIB-INIZCTEOSA-N 0 3 337.445 1.134 20 70 EDIDHN O=C(CNC[C@H]1CCCO1)N1CC[C@H](COCc2ccccc2)C1 ZINC000161324402 441986242 /nfs/dbraw/zinc/98/62/42/441986242.db2.gz IVOGORHARFZAPO-ZWKOTPCHSA-N 0 3 332.444 1.820 20 70 EDIDHN NC(=O)c1cccc(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)c1 ZINC000159562339 318419010 /nfs/dbraw/zinc/41/90/10/318419010.db2.gz UBVNUQQYVRQAOO-KRWDZBQOSA-N 0 3 345.443 1.503 20 70 EDIDHN C[C@@H](N[C@H](C(N)=O)c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000160203244 533531713 /nfs/dbraw/zinc/53/17/13/533531713.db2.gz VPEWMNRBHQOORX-XWIASGKRSA-N 0 3 327.222 1.990 20 70 EDIDHN CC(C)n1nccc1C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C ZINC000159529817 441820359 /nfs/dbraw/zinc/82/03/59/441820359.db2.gz GXXLECQOHKUTCM-UHFFFAOYSA-N 0 3 338.452 1.810 20 70 EDIDHN CN(C)CCN(Cc1ccccn1)C(=O)CN(C)[C@@H]1CCSC1 ZINC000159643703 441825806 /nfs/dbraw/zinc/82/58/06/441825806.db2.gz CHVMPOKAJSGGID-MRXNPFEDSA-N 0 3 336.505 1.409 20 70 EDIDHN CCc1n[nH]c(=O)c(CNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1CC ZINC000159660471 441827267 /nfs/dbraw/zinc/82/72/67/441827267.db2.gz VJSKWORIULPHHB-VXGBXAGGSA-N 0 3 347.463 1.319 20 70 EDIDHN O=C(Cc1cccc2cccnc21)NC[C@@H](O)CN1CCCCC1 ZINC000159994814 441852173 /nfs/dbraw/zinc/85/21/73/441852173.db2.gz ZJFHRRDSOSAXLH-QGZVFWFLSA-N 0 3 327.428 1.740 20 70 EDIDHN CC[S@@](=O)c1ccccc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160643436 441904930 /nfs/dbraw/zinc/90/49/30/441904930.db2.gz UUVZDSAXYXYFCT-FATZIPQQSA-N 0 3 338.473 1.391 20 70 EDIDHN CC[C@@H](Oc1ccccc1F)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160680058 441907983 /nfs/dbraw/zinc/90/79/83/441907983.db2.gz LMXIOBMAEJTUMZ-GDBMZVCRSA-N 0 3 338.423 1.946 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccn(-c2ccccc2)n1 ZINC000160690926 441909442 /nfs/dbraw/zinc/90/94/42/441909442.db2.gz SFNOSIWVYSYKOL-INIZCTEOSA-N 0 3 328.416 1.449 20 70 EDIDHN O=C(N[C@H]1CCN(CC2CC2)C1)N(CCO)CCc1ccccc1 ZINC000160727083 441914827 /nfs/dbraw/zinc/91/48/27/441914827.db2.gz AUBGRICKKXVRCQ-SFHVURJKSA-N 0 3 331.460 1.717 20 70 EDIDHN CCN(C)C(=O)CNC[C@@H](O)COc1cccc(Br)c1 ZINC000218165564 443058028 /nfs/dbraw/zinc/05/80/28/443058028.db2.gz IXQXFIDXVYKDDI-GFCCVEGCSA-N 0 3 345.237 1.257 20 70 EDIDHN CCN(C)C(=O)CNC[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000218058848 443058090 /nfs/dbraw/zinc/05/80/90/443058090.db2.gz WBTKBUJNOGPBFV-JTQLQIEISA-N 0 3 335.231 1.801 20 70 EDIDHN COc1ccc([O-])c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000159490613 534196933 /nfs/dbraw/zinc/19/69/33/534196933.db2.gz MWUGGYGOWDMMJE-WMZOPIPTSA-N 0 3 348.443 1.899 20 70 EDIDHN CN(C)CCn1cc(NC(=O)NCCC[C@H]2CCCC[C@H]2O)cn1 ZINC000160239592 540021870 /nfs/dbraw/zinc/02/18/70/540021870.db2.gz JEJNEZHTKIQUME-GDBMZVCRSA-N 0 3 337.468 1.898 20 70 EDIDHN COC1CCN(CCNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000161153450 540031073 /nfs/dbraw/zinc/03/10/73/540031073.db2.gz QTRNWEIRIYXOAO-OAGGEKHMSA-N 0 3 337.464 1.354 20 70 EDIDHN N[C@H](Cc1ccccc1)C(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC000159709042 206259006 /nfs/dbraw/zinc/25/90/06/206259006.db2.gz UOMQDDFNZFEUIZ-QGZVFWFLSA-N 0 3 343.402 1.632 20 70 EDIDHN CSCC[C@H](N)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000159953269 206271002 /nfs/dbraw/zinc/27/10/02/206271002.db2.gz AIVYXONCSVIFID-RYUDHWBXSA-N 0 3 325.409 1.128 20 70 EDIDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCn2cnnc2C1 ZINC000159949897 206271943 /nfs/dbraw/zinc/27/19/43/206271943.db2.gz FTEAGLNKJQSUNO-HOCLYGCPSA-N 0 3 340.431 1.324 20 70 EDIDHN COc1cc(C(=O)NC[C@H](O)CN2CCCCC2)cc(OC)c1C ZINC000159976391 206273087 /nfs/dbraw/zinc/27/30/87/206273087.db2.gz BLJLNAJOPBMCHQ-HNNXBMFYSA-N 0 3 336.432 1.589 20 70 EDIDHN COc1ccc(OC)c(/C=C/C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160030118 206276636 /nfs/dbraw/zinc/27/66/36/206276636.db2.gz BYZVLEKLJCLTDW-YXMGTMDOSA-N 0 3 348.443 1.680 20 70 EDIDHN C[C@H]1C[C@H](NC(=O)N2CCNC(=O)CC2)CN1Cc1ccccc1 ZINC000160263632 206287988 /nfs/dbraw/zinc/28/79/88/206287988.db2.gz SOSZAJSHOYAURI-HOCLYGCPSA-N 0 3 330.432 1.181 20 70 EDIDHN CCc1n[nH]c(=O)c(CNC(=O)N2CCC[C@@H](N(C)C)C2)c1CC ZINC000160344856 206291873 /nfs/dbraw/zinc/29/18/73/206291873.db2.gz XPUNFLQWKNHVNA-GFCCVEGCSA-N 0 3 335.452 1.130 20 70 EDIDHN CC(C)n1nccc1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000160371748 278150818 /nfs/dbraw/zinc/15/08/18/278150818.db2.gz DDIPCPVBDKGSTP-OAHLLOKOSA-N 0 3 335.452 1.137 20 70 EDIDHN CC1CCN(CC(=O)N(C)CC(C)(C)CN2CCOCC2)CC1 ZINC000160190058 302920707 /nfs/dbraw/zinc/92/07/07/302920707.db2.gz KWGUHPOOOIGTFQ-UHFFFAOYSA-N 0 3 325.497 1.535 20 70 EDIDHN CN(CC(=O)Nc1ccc(N2CCN(C)CC2)nc1)[C@H]1CCSC1 ZINC000159477871 441816359 /nfs/dbraw/zinc/81/63/59/441816359.db2.gz RGHOBNKBXLZAHR-HNNXBMFYSA-N 0 3 349.504 1.209 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccccc1OC(F)F ZINC000160198076 441865334 /nfs/dbraw/zinc/86/53/34/441865334.db2.gz ZNIKGSUNLCKOML-GFCCVEGCSA-N 0 3 328.359 1.865 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc(=O)[nH]c2ccccc21 ZINC000160226624 441866510 /nfs/dbraw/zinc/86/65/10/441866510.db2.gz OHSMUMXSMZERKR-CYBMUJFWSA-N 0 3 329.400 1.517 20 70 EDIDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000160614473 441902140 /nfs/dbraw/zinc/90/21/40/441902140.db2.gz FXCSRAMXPGTLAA-IAGOWNOFSA-N 0 3 342.443 1.353 20 70 EDIDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCN(c2ccccc2O)CC1 ZINC000160741340 441915880 /nfs/dbraw/zinc/91/58/80/441915880.db2.gz YNIXKEFGSKGTPE-MRXNPFEDSA-N 0 3 344.459 1.708 20 70 EDIDHN C[C@H](CCOc1ccccc1)C(=O)NCC1CCN(CCO)CC1 ZINC000160531028 441893128 /nfs/dbraw/zinc/89/31/28/441893128.db2.gz ZRXKQWTYGYAWRF-MRXNPFEDSA-N 0 3 334.460 1.912 20 70 EDIDHN Cn1cc(CN2CCCN(C(=O)c3cccc4[nH]cnc43)CC2)cn1 ZINC000159428992 206246044 /nfs/dbraw/zinc/24/60/44/206246044.db2.gz ANCFSYVVLBHEQA-UHFFFAOYSA-N 0 3 338.415 1.645 20 70 EDIDHN CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159878824 206268742 /nfs/dbraw/zinc/26/87/42/206268742.db2.gz HATOFCJDKLQWPA-VXGBXAGGSA-N 0 3 330.392 1.152 20 70 EDIDHN CCC1(CO)CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000160179455 206284146 /nfs/dbraw/zinc/28/41/46/206284146.db2.gz RJXAKGMVRYBBEQ-GOSISDBHSA-N 0 3 347.503 1.890 20 70 EDIDHN Cc1cnn(Cc2cc(C(=O)NC3CCN(C(C)C)CC3)no2)c1 ZINC000160238718 206286505 /nfs/dbraw/zinc/28/65/05/206286505.db2.gz BBCJBPRRRHAUGE-UHFFFAOYSA-N 0 3 331.420 1.830 20 70 EDIDHN CN(C)C(=O)Nc1cccc(C(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160368113 206292582 /nfs/dbraw/zinc/29/25/82/206292582.db2.gz WRXAMKKIBLAWGY-INIZCTEOSA-N 0 3 348.447 1.357 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(OC(F)F)cc1 ZINC000160604978 206306190 /nfs/dbraw/zinc/30/61/90/206306190.db2.gz VAUOAIGMEOVPPA-ZDUSSCGKSA-N 0 3 328.359 1.865 20 70 EDIDHN CCCN1CCCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000160400059 276005376 /nfs/dbraw/zinc/00/53/76/276005376.db2.gz WLLCAVRVWOSMIP-LBPRGKRZSA-N 0 3 335.370 1.342 20 70 EDIDHN COc1cc(Cl)c(C(=O)NC[C@@](C)(O)CN(C)C)cc1OC ZINC000161415309 302926335 /nfs/dbraw/zinc/92/63/35/302926335.db2.gz ODEVNGTWWBXVNP-OAHLLOKOSA-N 0 3 330.812 1.400 20 70 EDIDHN CCC[C@@H]1CN(C(=O)NCCCCN2CCN(CC)CC2)CCO1 ZINC000160272340 441869012 /nfs/dbraw/zinc/86/90/12/441869012.db2.gz OBCFEBZTAHXKRA-QGZVFWFLSA-N 0 3 340.512 1.615 20 70 EDIDHN CC(C)CN1CCC[C@@H]1CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000160304772 441871239 /nfs/dbraw/zinc/87/12/39/441871239.db2.gz GOEMNPBZUPKSJC-RBSFLKMASA-N 0 3 333.498 1.050 20 70 EDIDHN CC(=O)NCCNC(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000159794352 441837997 /nfs/dbraw/zinc/83/79/97/441837997.db2.gz ADHTWONWDJLCPZ-UHFFFAOYSA-N 0 3 333.436 1.076 20 70 EDIDHN O=C(NCC1CCN(CCO)CC1)[C@H]1SCCc2sccc21 ZINC000160685691 441909665 /nfs/dbraw/zinc/90/96/65/441909665.db2.gz AUUKKRFVGPECCR-HNNXBMFYSA-N 0 3 340.514 1.899 20 70 EDIDHN CCCc1c(C(=O)NCC2CCN(CCO)CC2)[nH]c(C)c1C(C)=O ZINC000160712010 441913403 /nfs/dbraw/zinc/91/34/03/441913403.db2.gz YQZDRBZZFMJMDA-UHFFFAOYSA-N 0 3 349.475 1.912 20 70 EDIDHN CN(C)C[C@@](C)(O)CNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000160823279 441925142 /nfs/dbraw/zinc/92/51/42/441925142.db2.gz XKKLRPPTCIETLH-BQFCYCMXSA-N 0 3 335.448 1.519 20 70 EDIDHN CCCN(C)c1ccc(C(=O)NCC2CCN(CCO)CC2)cc1 ZINC000160565102 441898086 /nfs/dbraw/zinc/89/80/86/441898086.db2.gz XGCFVALUZJOMSI-UHFFFAOYSA-N 0 3 333.476 1.967 20 70 EDIDHN CCN1CCN(c2ccc(NC(=O)NC3(C(N)=O)CC3)c(C)c2)CC1 ZINC000161138594 441961982 /nfs/dbraw/zinc/96/19/82/441961982.db2.gz HVYQOCJFERLGID-UHFFFAOYSA-N 0 3 345.447 1.276 20 70 EDIDHN CSc1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)cc1 ZINC000161387247 441993759 /nfs/dbraw/zinc/99/37/59/441993759.db2.gz DDVWUUGQRVQTAT-UHFFFAOYSA-N 0 3 344.502 1.391 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1cc(-c2ccccc2)no1 ZINC000159947132 295676690 /nfs/dbraw/zinc/67/66/90/295676690.db2.gz UOUWQUCSZSFXBT-HNNXBMFYSA-N 0 3 329.400 1.918 20 70 EDIDHN COc1cccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1[O-] ZINC000159450571 206247622 /nfs/dbraw/zinc/24/76/22/206247622.db2.gz ZBZAOFIYJHUTFG-HZPDHXFCSA-N 0 3 348.443 1.899 20 70 EDIDHN CCOC(=O)c1cnn2c1nccc2C(=O)NC1CCN(CC)CC1 ZINC000159487061 206248847 /nfs/dbraw/zinc/24/88/47/206248847.db2.gz OVSZNGILMMFEHF-UHFFFAOYSA-N 0 3 345.403 1.120 20 70 EDIDHN C[C@@H]1C[C@@H](N(C)S(=O)(=O)N(C)C)CCN1Cc1ccccc1 ZINC000160006509 206274268 /nfs/dbraw/zinc/27/42/68/206274268.db2.gz NOEGXXVODMXFBM-ZBFHGGJFSA-N 0 3 325.478 1.778 20 70 EDIDHN COc1cccc(OC)c1CC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160508278 206300427 /nfs/dbraw/zinc/30/04/27/206300427.db2.gz XDVLKQMFOWUWQH-CQSZACIVSA-N 0 3 336.432 1.209 20 70 EDIDHN CCCc1noc(CCCC(=O)NC[C@H](O)CN2CCCCC2)n1 ZINC000160245422 267499929 /nfs/dbraw/zinc/49/99/29/267499929.db2.gz BJHDLUXRHAZHGL-AWEZNQCLSA-N 0 3 338.452 1.308 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccccc1-n1cccn1 ZINC000160444101 272929594 /nfs/dbraw/zinc/92/95/94/272929594.db2.gz KABXXCOCGWONKW-OAHLLOKOSA-N 0 3 328.416 1.449 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1cc(-c2ccncc2)on1 ZINC000160446200 272929659 /nfs/dbraw/zinc/92/96/59/272929659.db2.gz DKUHRJPWMSUIMY-AWEZNQCLSA-N 0 3 330.388 1.313 20 70 EDIDHN CCCCc1noc([C@@H](C)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)n1 ZINC000159398425 441810495 /nfs/dbraw/zinc/81/04/95/441810495.db2.gz AXIDKZGQLAYHGS-UKRRQHHQSA-N 0 3 349.479 1.887 20 70 EDIDHN CCN1CCCN(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000159663849 441828194 /nfs/dbraw/zinc/82/81/94/441828194.db2.gz BVLBYKFJCGGBMM-ZDUSSCGKSA-N 0 3 336.402 1.608 20 70 EDIDHN CSCC[C@H](N)C(=O)Nc1ccc(OCc2nc(C)no2)cc1 ZINC000159665349 441828819 /nfs/dbraw/zinc/82/88/19/441828819.db2.gz HAZNMNBFYKJWIG-ZDUSSCGKSA-N 0 3 336.417 1.976 20 70 EDIDHN O=C(CCc1ccc2c(c1)OCCO2)NC[C@@H](O)CN1CCCCC1 ZINC000159969480 441850599 /nfs/dbraw/zinc/85/05/99/441850599.db2.gz CLGDYGZTLLLBSW-MRXNPFEDSA-N 0 3 348.443 1.353 20 70 EDIDHN CC(=O)Nc1cc(C(=O)NC[C@@H](O)CN2CCCCC2)ccc1C ZINC000160390074 441876702 /nfs/dbraw/zinc/87/67/02/441876702.db2.gz PRYLYGDBVJFEDR-MRXNPFEDSA-N 0 3 333.432 1.530 20 70 EDIDHN CC(C)[C@H](N)C(=O)Nc1ccc(OCC(=O)N(C)C)c(Cl)c1 ZINC000160960654 441941581 /nfs/dbraw/zinc/94/15/81/441941581.db2.gz PGGDRQCFGILWBO-AWEZNQCLSA-N 0 3 327.812 1.729 20 70 EDIDHN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000161152825 441963204 /nfs/dbraw/zinc/96/32/04/441963204.db2.gz OERJXPRKIPMABY-CCKFTAQKSA-N 0 3 343.471 1.805 20 70 EDIDHN C[C@@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000217431385 443057459 /nfs/dbraw/zinc/05/74/59/443057459.db2.gz GNXQGMSTBKCYDZ-RHSMWYFYSA-N 0 3 325.412 1.378 20 70 EDIDHN CCOC[C@@H](O)CN1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000217183476 486649988 /nfs/dbraw/zinc/64/99/88/486649988.db2.gz APYMHERTMHDISX-GJZGRUSLSA-N 0 3 330.469 1.963 20 70 EDIDHN Cc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1S(=O)(=O)NC1CC1 ZINC000160099813 206278810 /nfs/dbraw/zinc/27/88/10/206278810.db2.gz DPNJVSBCNXJGNP-CQSZACIVSA-N 0 3 339.461 1.748 20 70 EDIDHN CCCN(CC)c1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cn1 ZINC000160323328 206290608 /nfs/dbraw/zinc/29/06/08/206290608.db2.gz XRFVXZNWSUFHGI-KRWDZBQOSA-N 0 3 348.491 1.895 20 70 EDIDHN O=C(COc1ccc(F)c(Cl)c1)NC[C@@H](O)CN1CCCCC1 ZINC000160421252 206295812 /nfs/dbraw/zinc/29/58/12/206295812.db2.gz DURFAHBONALQCA-GFCCVEGCSA-N 0 3 344.814 1.821 20 70 EDIDHN COc1ccc([C@@H](C)NCc2ccc(C(=O)NCC(N)=O)cc2)cc1 ZINC000161018787 206324150 /nfs/dbraw/zinc/32/41/50/206324150.db2.gz URNGHLSGZDMRIO-CYBMUJFWSA-N 0 3 341.411 1.761 20 70 EDIDHN O=C(C[C@H]1CCC[NH2+]1)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000160115238 225341563 /nfs/dbraw/zinc/34/15/63/225341563.db2.gz UGLNGHRBEPDCAY-LLVKDONJSA-N 0 3 341.408 1.347 20 70 EDIDHN O=C(COCCOc1ccccc1)NC[C@H](O)CN1CCCCC1 ZINC000160168916 441863371 /nfs/dbraw/zinc/86/33/71/441863371.db2.gz RLOVKIUAFOBGPQ-INIZCTEOSA-N 0 3 336.432 1.045 20 70 EDIDHN CCCN1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)CC1 ZINC000159926792 441848075 /nfs/dbraw/zinc/84/80/75/441848075.db2.gz UJADVPWPXIVXAA-UHFFFAOYSA-N 0 3 331.395 1.964 20 70 EDIDHN CSCC[C@H](N)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000159958177 441849951 /nfs/dbraw/zinc/84/99/51/441849951.db2.gz FZILTFNKGCGXFH-LBPRGKRZSA-N 0 3 341.502 1.503 20 70 EDIDHN C[C@@H]1CCO[C@H]1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000160405096 441878009 /nfs/dbraw/zinc/87/80/09/441878009.db2.gz SSYNETKDZREKES-RHSMWYFYSA-N 0 3 332.448 1.217 20 70 EDIDHN Cc1c(C(=O)N2CC[C@@H](N3CCCC3)C2)cnn1C1CCOCC1 ZINC000160523803 441892549 /nfs/dbraw/zinc/89/25/49/441892549.db2.gz JSZWIELPRAIRKQ-MRXNPFEDSA-N 0 3 332.448 1.853 20 70 EDIDHN C[C@@H](C(=O)NCC1CCN(CCO)CC1)N1CCc2ccccc2C1 ZINC000160567397 441897193 /nfs/dbraw/zinc/89/71/93/441897193.db2.gz CAWBUAKFRPMWSM-INIZCTEOSA-N 0 3 345.487 1.254 20 70 EDIDHN O=C1Nc2ccccc2C12CCC(N[C@H]1CCS(=O)(=O)C1)CC2 ZINC000161362244 441991516 /nfs/dbraw/zinc/99/15/16/441991516.db2.gz LDPNFBDMCWBQBW-JZLYGMAVSA-N 0 3 334.441 1.596 20 70 EDIDHN Cc1noc(C)c1S(=O)(=O)N(C)CC1CCN(C[C@H](C)O)CC1 ZINC000161437498 441998963 /nfs/dbraw/zinc/99/89/63/441998963.db2.gz VWFMVBGZTIQPPG-NSHDSACASA-N 0 3 345.465 1.005 20 70 EDIDHN CC(=O)N[C@@H](CC(=O)NCC1CCN(CCO)CC1)c1ccccc1 ZINC000160582114 526833531 /nfs/dbraw/zinc/83/35/31/526833531.db2.gz BMYAOOLTHIAJAK-SFHVURJKSA-N 0 3 347.459 1.074 20 70 EDIDHN COc1ccc(NC(=O)CN2CCN(c3ccncc3)CC2)cc1 ZINC000161295682 540032699 /nfs/dbraw/zinc/03/26/99/540032699.db2.gz HSZSMINFSHLDPQ-UHFFFAOYSA-N 0 3 326.400 1.851 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(N2CCCC2)nc1 ZINC000159957497 206272374 /nfs/dbraw/zinc/27/23/74/206272374.db2.gz ZREFDYNYTOYUDS-INIZCTEOSA-N 0 3 332.448 1.258 20 70 EDIDHN C[C@H](CNC(=O)N1CCN(Cc2ccccn2)CC1)N(C)C1CC1 ZINC000160069420 206277166 /nfs/dbraw/zinc/27/71/66/206277166.db2.gz SUAHJZPQQWDDQT-OAHLLOKOSA-N 0 3 331.464 1.392 20 70 EDIDHN CC(C)(N)C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000160134446 206280083 /nfs/dbraw/zinc/28/00/83/206280083.db2.gz MVSDNPWJULFIMZ-NSHDSACASA-N 0 3 345.321 1.544 20 70 EDIDHN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCC[C@H]1CN ZINC000160138291 206280478 /nfs/dbraw/zinc/28/04/78/206280478.db2.gz GECKRGKTMWSBLE-HNNXBMFYSA-N 0 3 326.400 1.622 20 70 EDIDHN C[C@H]1C[C@@H](NC(=O)N2CCC(C(N)=O)CC2)CN1Cc1ccccc1 ZINC000160123481 206280678 /nfs/dbraw/zinc/28/06/78/206280678.db2.gz MGELAOBICGCLPB-WMLDXEAASA-N 0 3 344.459 1.556 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000160400899 206296474 /nfs/dbraw/zinc/29/64/74/206296474.db2.gz KGPAWQYXTUFQCV-SFHVURJKSA-N 0 3 342.443 1.508 20 70 EDIDHN C[C@H](CSC(C)(C)C)NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160990898 206322628 /nfs/dbraw/zinc/32/26/28/206322628.db2.gz PRHASYNOQFIBOQ-GFCCVEGCSA-N 0 3 337.489 1.912 20 70 EDIDHN C[C@H](NC(=O)C(=O)Nc1cccc(CN(C)C)c1)C1CCOCC1 ZINC000161043264 206324624 /nfs/dbraw/zinc/32/46/24/206324624.db2.gz NPESSILTAIYFRC-ZDUSSCGKSA-N 0 3 333.432 1.618 20 70 EDIDHN Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)NCCN(C)C)c1 ZINC000161131355 206329153 /nfs/dbraw/zinc/32/91/53/206329153.db2.gz YJGCAWPNVNEOPC-UHFFFAOYSA-N 0 3 329.404 1.105 20 70 EDIDHN COCCN(C)CCNC(=O)c1cc(-c2cccc(OC)c2)n[nH]1 ZINC000161173440 206332333 /nfs/dbraw/zinc/33/23/33/206332333.db2.gz WUQPWHJCYDQVCD-UHFFFAOYSA-N 0 3 332.404 1.393 20 70 EDIDHN CC(C)N1C[C@H](NC(=O)Cn2nnc(-c3ccccc3)n2)[C@@H](C)C1 ZINC000161324729 206342001 /nfs/dbraw/zinc/34/20/01/206342001.db2.gz ARVCQIGUMVFYSK-ZFWWWQNUSA-N 0 3 328.420 1.185 20 70 EDIDHN Cc1ccc(NC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)cn1 ZINC000159800218 267497214 /nfs/dbraw/zinc/49/72/14/267497214.db2.gz WRNNKSKFPWXNBF-QGZVFWFLSA-N 0 3 340.427 1.618 20 70 EDIDHN C[C@@H]1C[C@H](NC(=O)N2CCn3cnnc3C2)CN1Cc1ccccc1 ZINC000159912412 278020627 /nfs/dbraw/zinc/02/06/27/278020627.db2.gz KMELPOIPGONJID-ZBFHGGJFSA-N 0 3 340.431 1.466 20 70 EDIDHN CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000160281903 441869171 /nfs/dbraw/zinc/86/91/71/441869171.db2.gz RVICWIUQHMTBMP-DLBZAZTESA-N 0 3 338.496 1.223 20 70 EDIDHN CCN1CCN(c2ccc(C(=O)N3C[C@H]4CCC[C@@H](C3)N4)cc2)CC1 ZINC000159600821 441825074 /nfs/dbraw/zinc/82/50/74/441825074.db2.gz ITGPIMCNTZXHIU-HDICACEKSA-N 0 3 342.487 1.795 20 70 EDIDHN CN1CCN([C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3)c2ccccc2)CC1 ZINC000159637728 441826266 /nfs/dbraw/zinc/82/62/66/441826266.db2.gz MXHIATAUIZRPNH-OTWHNJEPSA-N 0 3 342.487 1.328 20 70 EDIDHN Cc1nc2ccccn2c1CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000159764049 441836701 /nfs/dbraw/zinc/83/67/01/441836701.db2.gz ANUYTUMYYIWOQW-UHFFFAOYSA-N 0 3 341.459 1.383 20 70 EDIDHN Cc1cc(OCC(=O)NCC2CCN(CCO)CC2)ccc1Cl ZINC000160599526 441901301 /nfs/dbraw/zinc/90/13/01/441901301.db2.gz LDHNMFDYHGKSCH-UHFFFAOYSA-N 0 3 340.851 1.848 20 70 EDIDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000160614603 441901640 /nfs/dbraw/zinc/90/16/40/441901640.db2.gz FXCSRAMXPGTLAA-SJORKVTESA-N 0 3 342.443 1.353 20 70 EDIDHN O=C(NCC1CCN(CCO)CC1)c1ccc(N2CCCC2)c(F)c1 ZINC000160658075 441905223 /nfs/dbraw/zinc/90/52/23/441905223.db2.gz OGKBXZCSKUOTOL-UHFFFAOYSA-N 0 3 349.450 1.860 20 70 EDIDHN O=C(NCC1CCN(CCO)CC1)c1cc2c(c(Cl)c1)OCO2 ZINC000160654249 441906109 /nfs/dbraw/zinc/90/61/09/441906109.db2.gz OSISZDGDGGDQNO-UHFFFAOYSA-N 0 3 340.807 1.503 20 70 EDIDHN O=C(Nc1cnn(C[C@@H]2CCCO2)c1)N[C@@H]1CCN(CC2CC2)C1 ZINC000160737187 441915820 /nfs/dbraw/zinc/91/58/20/441915820.db2.gz JUMGTHUDQFCPMH-ZBFHGGJFSA-N 0 3 333.436 1.668 20 70 EDIDHN CN(C(=O)[C@H]1CCNC(=O)C1)c1ccc(OCCN2CCCC2)cc1 ZINC000160806397 441923050 /nfs/dbraw/zinc/92/30/50/441923050.db2.gz KJMRQRWPCCLJRO-HNNXBMFYSA-N 0 3 345.443 1.650 20 70 EDIDHN CN(CCCc1cc(-c2ccccc2)n[nH]1)CCN1C(=O)CNC1=O ZINC000161232501 441975010 /nfs/dbraw/zinc/97/50/10/441975010.db2.gz HWCOIUSPQFWEEO-UHFFFAOYSA-N 0 3 341.415 1.493 20 70 EDIDHN CCCS(=O)(=O)NC1CCN(CCCCn2ccnc2C)CC1 ZINC000161397969 441995300 /nfs/dbraw/zinc/99/53/00/441995300.db2.gz YZWUYVDFJBNFFA-UHFFFAOYSA-N 0 3 342.509 1.766 20 70 EDIDHN CC(C)N1C[C@H](NC(=O)c2cc3c([nH]c2=O)CCCC3=O)[C@@H](C)C1 ZINC000161291059 441981514 /nfs/dbraw/zinc/98/15/14/441981514.db2.gz ZVSRCFRNLJFXBS-NHYWBVRUSA-N 0 3 331.416 1.352 20 70 EDIDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc3c([nH]c2=O)CCCC3=O)C1 ZINC000161290932 441981695 /nfs/dbraw/zinc/98/16/95/441981695.db2.gz ZVSRCFRNLJFXBS-ABAIWWIYSA-N 0 3 331.416 1.352 20 70 EDIDHN CCCN1CCC(NC(=O)c2cc(Cn3cc(C)cn3)on2)CC1 ZINC000159746997 318421099 /nfs/dbraw/zinc/42/10/99/318421099.db2.gz SVIRTANOAYATDH-UHFFFAOYSA-N 0 3 331.420 1.832 20 70 EDIDHN C[C@@H](C(=O)NCCc1ccccc1)N1CCN(c2ccncc2)CC1 ZINC000161378161 540033385 /nfs/dbraw/zinc/03/33/85/540033385.db2.gz DUTAHUKEVSUZKZ-KRWDZBQOSA-N 0 3 338.455 1.951 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1c[nH]nc1-c1ccccc1F ZINC000160282029 206288413 /nfs/dbraw/zinc/28/84/13/206288413.db2.gz OJTKHUFQQRJFTJ-CYBMUJFWSA-N 0 3 346.406 1.792 20 70 EDIDHN COc1ccc(CCC(=O)NC[C@H](O)CN2CCCCC2)cc1F ZINC000160350255 206291729 /nfs/dbraw/zinc/29/17/29/206291729.db2.gz BDMVHFYSNRCQJC-HNNXBMFYSA-N 0 3 338.423 1.730 20 70 EDIDHN Cc1cnn(Cc2cc(C(=O)N3CCC[C@H]4CN(C)CC[C@@H]43)no2)c1 ZINC000160373965 206293327 /nfs/dbraw/zinc/29/33/27/206293327.db2.gz SBKVLCXGBZXERG-YOEHRIQHSA-N 0 3 343.431 1.784 20 70 EDIDHN O=S(=O)(Cc1c(F)cccc1F)NC[C@@H]1CCN(C2CC2)C1 ZINC000160562587 206303886 /nfs/dbraw/zinc/30/38/86/206303886.db2.gz DRNHMLGMVGEWPS-NSHDSACASA-N 0 3 330.400 1.869 20 70 EDIDHN CCc1c(C(=O)NC[C@H](O)CN2CCCCC2)[nH]c(C)c1C(C)=O ZINC000160491999 206300760 /nfs/dbraw/zinc/30/07/60/206300760.db2.gz HOEOWIYDNNWHTI-AWEZNQCLSA-N 0 3 335.448 1.665 20 70 EDIDHN COc1ccc(CCCC(=O)NC[C@@](C)(O)CN(C)C)c(OC)c1 ZINC000161415051 206345915 /nfs/dbraw/zinc/34/59/15/206345915.db2.gz FKFLHYXIQFEUKM-GOSISDBHSA-N 0 3 338.448 1.455 20 70 EDIDHN CN(CC(=O)Nc1ccc(N2CCN(C)CC2)nc1)[C@@H]1CCSC1 ZINC000159477728 441817066 /nfs/dbraw/zinc/81/70/66/441817066.db2.gz RGHOBNKBXLZAHR-OAHLLOKOSA-N 0 3 349.504 1.209 20 70 EDIDHN CC(C)(C)c1nc(CN2CCC(N3CCC[C@@H]3C(N)=O)CC2)no1 ZINC000159407580 441809522 /nfs/dbraw/zinc/80/95/22/441809522.db2.gz NCNSAMVZWNXWQU-CYBMUJFWSA-N 0 3 335.452 1.281 20 70 EDIDHN Cc1ccccc1NC(=O)CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000159407292 441809620 /nfs/dbraw/zinc/80/96/20/441809620.db2.gz HHJJZSMKIPOFBC-QGZVFWFLSA-N 0 3 344.459 1.348 20 70 EDIDHN O=C(Nc1ccnn1C[C@@H]1CCOC1)N1CC[C@H](N2CC=CC2)C1 ZINC000159437894 441813814 /nfs/dbraw/zinc/81/38/14/441813814.db2.gz PSQYSMMHLSUHRA-GJZGRUSLSA-N 0 3 331.420 1.398 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)[C@H]1CC(c2ccccc2)=NO1 ZINC000160122949 441860479 /nfs/dbraw/zinc/86/04/79/441860479.db2.gz UEBPEZVOXXTBKF-NVXWUHKLSA-N 0 3 331.416 1.143 20 70 EDIDHN Cn1cc(-c2nc(C(=O)NC[C@H](O)CN3CCCCC3)cs2)cn1 ZINC000160244623 441867796 /nfs/dbraw/zinc/86/77/96/441867796.db2.gz JHUFYTUGJIQKME-ZDUSSCGKSA-N 0 3 349.460 1.120 20 70 EDIDHN CCN1CCCN(C(=O)NCc2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000159787825 441837983 /nfs/dbraw/zinc/83/79/83/441837983.db2.gz QAJIXCODCPUYET-UHFFFAOYSA-N 0 3 348.447 1.891 20 70 EDIDHN CCn1nc(C)c(C(=O)NC[C@@H](O)CN2CCCCC2)c1Cl ZINC000160011467 441853823 /nfs/dbraw/zinc/85/38/23/441853823.db2.gz ITDXINPHTCDFQP-GFCCVEGCSA-N 0 3 328.844 1.441 20 70 EDIDHN C[C@H](C(=O)NCC1CCN(CCO)CC1)c1c(F)cccc1F ZINC000160010606 441854137 /nfs/dbraw/zinc/85/41/37/441854137.db2.gz FDHFGLVALPITCV-LBPRGKRZSA-N 0 3 326.387 1.889 20 70 EDIDHN Cc1cc(-n2cncn2)ccc1C(=O)NCC1CCN(CCO)CC1 ZINC000160608554 441901311 /nfs/dbraw/zinc/90/13/11/441901311.db2.gz HYYGVYNOSUUTSV-UHFFFAOYSA-N 0 3 343.431 1.010 20 70 EDIDHN CCOc1ccc(C(=O)NCC2CCN(CCO)CC2)cc1OC ZINC000160623395 441902916 /nfs/dbraw/zinc/90/29/16/441902916.db2.gz AMFXOMUZFXJZOZ-UHFFFAOYSA-N 0 3 336.432 1.528 20 70 EDIDHN CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccccc1-n1cccn1 ZINC000160829539 441926560 /nfs/dbraw/zinc/92/65/60/441926560.db2.gz FCVLPPBHTZFDKG-CHWSQXEVSA-N 0 3 329.404 1.757 20 70 EDIDHN CC(C)[C@H](C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)N(C)C ZINC000160494170 441888256 /nfs/dbraw/zinc/88/82/56/441888256.db2.gz QXQLCTCGSPOPFD-KZNAEPCWSA-N 0 3 333.476 1.324 20 70 EDIDHN Cc1c(C(=O)N2CC[C@H](N3CCCC3)C2)cnn1C1CCOCC1 ZINC000160523675 441892674 /nfs/dbraw/zinc/89/26/74/441892674.db2.gz JSZWIELPRAIRKQ-INIZCTEOSA-N 0 3 332.448 1.853 20 70 EDIDHN COc1ccc2[nH]cc(CC(=O)NCC3CCN(CCO)CC3)c2c1 ZINC000160593575 441899586 /nfs/dbraw/zinc/89/95/86/441899586.db2.gz CPDHPFBVLLNUHS-UHFFFAOYSA-N 0 3 345.443 1.540 20 70 EDIDHN CC1CC[NH+](C2CCC([N-]S(=O)(=O)c3c[nH]cn3)CC2)CC1 ZINC000160948384 441938978 /nfs/dbraw/zinc/93/89/78/441938978.db2.gz HRSNXDXSWKEBHV-UHFFFAOYSA-N 0 3 326.466 1.731 20 70 EDIDHN CCn1cnnc1[C@H]1CCCN(CC(=O)NC2CCN(CC)CC2)C1 ZINC000161424584 441997642 /nfs/dbraw/zinc/99/76/42/441997642.db2.gz MFQTTXREYHEGGG-HNNXBMFYSA-N 0 3 348.495 1.078 20 70 EDIDHN CN(C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000161447662 442001064 /nfs/dbraw/zinc/00/10/64/442001064.db2.gz WSLJINWNTZLJSH-INIZCTEOSA-N 0 3 328.478 1.575 20 70 EDIDHN CC(C)N(CCN(C)C)C(=O)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000159737228 540013403 /nfs/dbraw/zinc/01/34/03/540013403.db2.gz ASRCSQDGAKNMFN-INIZCTEOSA-N 0 3 338.496 1.902 20 70 EDIDHN CNS(=O)(=O)c1cccc([C@H](C)NCCCN2CCCC2=O)c1 ZINC000159533441 206251490 /nfs/dbraw/zinc/25/14/90/206251490.db2.gz FMCLKTDOOFXQCF-ZDUSSCGKSA-N 0 3 339.461 1.258 20 70 EDIDHN COc1ccc([C@H](CNCc2cn(C)nc2C)N2CCOCC2)cc1 ZINC000159583139 206253513 /nfs/dbraw/zinc/25/35/13/206253513.db2.gz RYFRKFQDMZJLHN-IBGZPJMESA-N 0 3 344.459 1.900 20 70 EDIDHN CSC[C@@](C)(O)CNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000159587275 206253776 /nfs/dbraw/zinc/25/37/76/206253776.db2.gz HOUGQMRQWVVXML-PBHICJAKSA-N 0 3 339.505 1.920 20 70 EDIDHN CC(C)NC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159897632 206270129 /nfs/dbraw/zinc/27/01/29/206270129.db2.gz HPWGVBDKWXZNSU-OLZOCXBDSA-N 0 3 344.419 1.541 20 70 EDIDHN CCN1CCCN(C(=O)NCCOc2ncccc2Cl)CC1 ZINC000159989886 206274862 /nfs/dbraw/zinc/27/48/62/206274862.db2.gz SPRNIRDXCFIKJU-UHFFFAOYSA-N 0 3 326.828 1.851 20 70 EDIDHN Cc1nn(C)c(Cl)c1/C=C/C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160548613 206303082 /nfs/dbraw/zinc/30/30/82/206303082.db2.gz XEOCCSXIVMJSKO-KTRBRXNASA-N 0 3 340.855 1.358 20 70 EDIDHN Cc1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccccc2)cn1 ZINC000160660927 206307581 /nfs/dbraw/zinc/30/75/81/206307581.db2.gz KTABBWUFNIQFCS-UHFFFAOYSA-N 0 3 340.427 1.919 20 70 EDIDHN CC(=O)Nc1cc(C(=O)NC[C@H](O)CN2CCCCC2)ccc1F ZINC000160570034 206304624 /nfs/dbraw/zinc/30/46/24/206304624.db2.gz FGDDUJJVAWGCSP-AWEZNQCLSA-N 0 3 337.395 1.361 20 70 EDIDHN CCOc1ccc(OCC(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000160580691 206305021 /nfs/dbraw/zinc/30/50/21/206305021.db2.gz HEDREWHGCSOJSR-OAHLLOKOSA-N 0 3 336.432 1.427 20 70 EDIDHN C[C@]1(C(=O)NC[C@@H](O)CN2CCCCC2)Cc2ccccc2C(=O)O1 ZINC000160593760 206305230 /nfs/dbraw/zinc/30/52/30/206305230.db2.gz KNDQVETXFPTISS-DNVCBOLYSA-N 0 3 346.427 1.121 20 70 EDIDHN CC(=O)N[C@H](CC(=O)NC[C@H](O)CN1CCCCC1)c1ccccc1 ZINC000160285806 278171428 /nfs/dbraw/zinc/17/14/28/278171428.db2.gz YVVRJCDMUZCSAW-ZWKOTPCHSA-N 0 3 347.459 1.217 20 70 EDIDHN C[C@@H](N[C@H](C(N)=O)c1cccc(Br)c1)[C@H]1CCOC1 ZINC000160203487 278378162 /nfs/dbraw/zinc/37/81/62/278378162.db2.gz VPEWMNRBHQOORX-CDMKHQONSA-N 0 3 327.222 1.990 20 70 EDIDHN O=C(CN1CCN(Cc2ccccc2)CC1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159413511 302917631 /nfs/dbraw/zinc/91/76/31/302917631.db2.gz PBOCHGKBXYIYNI-KDURUIRLSA-N 0 3 342.487 1.157 20 70 EDIDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC(C)(C)C(N)=O ZINC000159561002 441821025 /nfs/dbraw/zinc/82/10/25/441821025.db2.gz GKMVMORUSDNGMQ-ZFWWWQNUSA-N 0 3 332.448 1.318 20 70 EDIDHN CCCNC(=O)C(C)S(=O)(=O)Cc1noc(C2CCCCC2)n1 ZINC000159383145 441807552 /nfs/dbraw/zinc/80/75/52/441807552.db2.gz PABNQDPCMBDIAA-NSHDSACASA-N 0 3 343.449 1.947 20 70 EDIDHN CC(=O)N1CC[C@@H](NC(=O)NC(C)(C)CN(C)Cc2ccccc2)C1 ZINC000159923512 441847451 /nfs/dbraw/zinc/84/74/51/441847451.db2.gz KNWFKNXLFWUHGG-QGZVFWFLSA-N 0 3 346.475 1.817 20 70 EDIDHN COc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160040739 441856270 /nfs/dbraw/zinc/85/62/70/441856270.db2.gz QKBGCVPHACTVDK-BHYGNILZSA-N 0 3 332.444 1.762 20 70 EDIDHN O=C(CCc1c[nH]c2ccccc12)NCC1CCN(CCO)CC1 ZINC000160632617 441903752 /nfs/dbraw/zinc/90/37/52/441903752.db2.gz VXDAUNJEEUIISA-UHFFFAOYSA-N 0 3 329.444 1.921 20 70 EDIDHN O=C(NCC1CCN(CCO)CC1)c1ccn(-c2ccc(F)cc2)n1 ZINC000160643499 441905065 /nfs/dbraw/zinc/90/50/65/441905065.db2.gz DEWMEVHMHHRKEA-UHFFFAOYSA-N 0 3 346.406 1.446 20 70 EDIDHN CCCN1CCCN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000160385689 441876611 /nfs/dbraw/zinc/87/66/11/441876611.db2.gz QDKASUAQOLSWDH-UHFFFAOYSA-N 0 3 338.452 1.041 20 70 EDIDHN CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160424720 441880447 /nfs/dbraw/zinc/88/04/47/441880447.db2.gz UMVFOHIHVNRMAF-ZACQAIPSSA-N 0 3 339.480 1.336 20 70 EDIDHN COCCN1CCC(NC(=O)N2CCCN(CC(F)F)CC2)CC1 ZINC000160994567 441945131 /nfs/dbraw/zinc/94/51/31/441945131.db2.gz FHOZVXQSOHSFTP-UHFFFAOYSA-N 0 3 348.438 1.080 20 70 EDIDHN CC(C)N(CCN(C)C)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000159709633 540012858 /nfs/dbraw/zinc/01/28/58/540012858.db2.gz ZHDQSZVJYHSTCM-MRXNPFEDSA-N 0 3 338.496 1.759 20 70 EDIDHN C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000161230339 283599396 /nfs/dbraw/zinc/59/93/96/283599396.db2.gz FCHRTKMCFZFYGA-LLVKDONJSA-N 0 3 329.397 1.021 20 70 EDIDHN O=C(COc1ccc(F)cc1Cl)NC[C@H](O)CN1CCCCC1 ZINC000159979307 206273217 /nfs/dbraw/zinc/27/32/17/206273217.db2.gz SHMKFNKQUVARHZ-ZDUSSCGKSA-N 0 3 344.814 1.821 20 70 EDIDHN CC(C(=O)N1CCCCC[C@H]1C[C@H](O)c1ccco1)S(C)(=O)=O ZINC000159992268 206274693 /nfs/dbraw/zinc/27/46/93/206274693.db2.gz BBIHVJYHYRBKSI-RDBSUJKOSA-N 0 3 343.445 1.907 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000160075802 206277769 /nfs/dbraw/zinc/27/77/69/206277769.db2.gz UZJNOLAQJDHPIZ-UKRRQHHQSA-N 0 3 349.406 1.215 20 70 EDIDHN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCC[C@@H]1CN ZINC000160138156 206280376 /nfs/dbraw/zinc/28/03/76/206280376.db2.gz GECKRGKTMWSBLE-OAHLLOKOSA-N 0 3 326.400 1.622 20 70 EDIDHN C[C@]1(O)CCCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000160316586 206289094 /nfs/dbraw/zinc/28/90/94/206289094.db2.gz HVOWJOSWHQKYQZ-IBGZPJMESA-N 0 3 331.460 1.991 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1csc([C@@H]2CCCO2)n1 ZINC000160427239 206296992 /nfs/dbraw/zinc/29/69/92/206296992.db2.gz MBPIIKLUQSQALD-JSGCOSHPSA-N 0 3 339.461 1.571 20 70 EDIDHN CNCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000161290006 206338706 /nfs/dbraw/zinc/33/87/06/206338706.db2.gz QSSCLXHASFDGIT-GFCCVEGCSA-N 0 3 327.331 1.119 20 70 EDIDHN Cc1cnn(Cc2cc(C(=O)NC3CCN(C4CC4)CC3)no2)c1 ZINC000161291922 206339536 /nfs/dbraw/zinc/33/95/36/206339536.db2.gz JCYSNGSTGGVQCR-UHFFFAOYSA-N 0 3 329.404 1.584 20 70 EDIDHN Cc1noc(-c2ccccc2C(=O)NC[C@H](O)CN2CCCCC2)n1 ZINC000160369282 272929585 /nfs/dbraw/zinc/92/95/85/272929585.db2.gz PRTLVDKUNSVRLH-AWEZNQCLSA-N 0 3 344.415 1.622 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(Cn2cccn2)cc1 ZINC000160574587 272930044 /nfs/dbraw/zinc/93/00/44/272930044.db2.gz GYMVLKPZCUEIRI-GOSISDBHSA-N 0 3 342.443 1.508 20 70 EDIDHN C[C@H](O)CN(C)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000159380961 441807497 /nfs/dbraw/zinc/80/74/97/441807497.db2.gz WIDLOYLDZPMCLZ-HOTGVXAUSA-N 0 3 333.476 1.468 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1cnc(-c2ccccn2)s1 ZINC000160165384 441863134 /nfs/dbraw/zinc/86/31/34/441863134.db2.gz CRBLCSCMCQNEPA-ZDUSSCGKSA-N 0 3 346.456 1.782 20 70 EDIDHN CCOc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cc1OC ZINC000160258265 441867465 /nfs/dbraw/zinc/86/74/65/441867465.db2.gz AYSFTDNULHCVRP-HNNXBMFYSA-N 0 3 336.432 1.671 20 70 EDIDHN CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160281487 441869289 /nfs/dbraw/zinc/86/92/89/441869289.db2.gz RVICWIUQHMTBMP-SJORKVTESA-N 0 3 338.496 1.223 20 70 EDIDHN CC(C)c1noc2ncc(C(=O)NC[C@@H](O)CN3CCCCC3)cc21 ZINC000160333203 441872292 /nfs/dbraw/zinc/87/22/92/441872292.db2.gz PZSFVMCIBYITPQ-CQSZACIVSA-N 0 3 346.431 1.923 20 70 EDIDHN CC(C)N(C[C@@H](C)O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000160043944 441855926 /nfs/dbraw/zinc/85/59/26/441855926.db2.gz LQEWJYBGYSOQBG-OAHLLOKOSA-N 0 3 337.464 1.928 20 70 EDIDHN COc1ccc(CC(=O)NCC2CCN(CCO)CC2)cc1OC ZINC000160610942 441902601 /nfs/dbraw/zinc/90/26/01/441902601.db2.gz FWPLLAFFCNESOO-UHFFFAOYSA-N 0 3 336.432 1.067 20 70 EDIDHN CCOC(=O)CC1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000160658762 441905557 /nfs/dbraw/zinc/90/55/57/441905557.db2.gz UHLDUDKZEAALTL-MRXNPFEDSA-N 0 3 337.464 1.846 20 70 EDIDHN COc1ccc(Cl)cc1C(=O)NCC1CCN(CCO)CC1 ZINC000160653391 441905895 /nfs/dbraw/zinc/90/58/95/441905895.db2.gz ZUFBMBOVRWPGIC-UHFFFAOYSA-N 0 3 326.824 1.783 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(Cn2cccn2)cc1 ZINC000160574475 441897754 /nfs/dbraw/zinc/89/77/54/441897754.db2.gz GYMVLKPZCUEIRI-SFHVURJKSA-N 0 3 342.443 1.508 20 70 EDIDHN CNC(=O)C1(C(=O)N(C)c2ccc(OCCN3CCCC3)cc2)CC1 ZINC000160844894 441927775 /nfs/dbraw/zinc/92/77/75/441927775.db2.gz FERKIKFDGCBGRN-UHFFFAOYSA-N 0 3 345.443 1.650 20 70 EDIDHN C[C@@H](CC(=O)N(C)C)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000161070304 441951951 /nfs/dbraw/zinc/95/19/51/441951951.db2.gz VZXKKSJMLOMGPY-HNNXBMFYSA-N 0 3 327.428 1.853 20 70 EDIDHN CCCc1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)cc1 ZINC000161394420 441994908 /nfs/dbraw/zinc/99/49/08/441994908.db2.gz OORCUBZEDTYXEF-UHFFFAOYSA-N 0 3 340.489 1.622 20 70 EDIDHN CC[C@H](C)c1ccc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)cc1 ZINC000161452031 442000888 /nfs/dbraw/zinc/00/08/88/442000888.db2.gz HIISYONVXJPGQI-XJKSGUPXSA-N 0 3 328.478 1.791 20 70 EDIDHN CCN(C)C(=O)CNC[C@H](O)COc1ccc(Br)cc1 ZINC000218120833 443057866 /nfs/dbraw/zinc/05/78/66/443057866.db2.gz STHNTDKNWASBCV-LBPRGKRZSA-N 0 3 345.237 1.257 20 70 EDIDHN CN(CC(C)(C)CN1CCOCC1)C(=O)c1[nH]nc2ccccc21 ZINC000160205567 529846410 /nfs/dbraw/zinc/84/64/10/529846410.db2.gz XWVMSWUMEORLSQ-UHFFFAOYSA-N 0 3 330.432 1.993 20 70 EDIDHN COC1CCN(CCNC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000160320933 540022218 /nfs/dbraw/zinc/02/22/18/540022218.db2.gz ADWJSWWDDDKLDD-GDBMZVCRSA-N 0 3 325.453 1.354 20 70 EDIDHN O=C(CC1(N2CCOCC2)CCCC1)NC[C@@H](O)c1ccsc1 ZINC000159669160 225258679 /nfs/dbraw/zinc/25/86/79/225258679.db2.gz RQRZGOBEIPLJDV-OAHLLOKOSA-N 0 3 338.473 1.933 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)[C@H]1CCCN1Cc1ccccc1 ZINC000160088924 225335211 /nfs/dbraw/zinc/33/52/11/225335211.db2.gz IEDHEHCYHAZBGZ-RBUKOAKNSA-N 0 3 345.487 1.614 20 70 EDIDHN CC(C(=O)N1C[C@@H](C)C[C@H](C)C1)S(=O)(=O)Cc1nccn1C ZINC000161191960 298092094 /nfs/dbraw/zinc/09/20/94/298092094.db2.gz JABINVIVJKZATC-RWMBFGLXSA-N 0 3 327.450 1.228 20 70 EDIDHN CN(C)[C@H](CNC(=O)CN1CCOC[C@@H]1C1CC1)c1ccccc1 ZINC000160164437 441863221 /nfs/dbraw/zinc/86/32/21/441863221.db2.gz RXRKSGNSSCVSQF-QZTJIDSGSA-N 0 3 331.460 1.516 20 70 EDIDHN C[C@H](c1cnn(C)c1)N(C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000160657245 441905118 /nfs/dbraw/zinc/90/51/18/441905118.db2.gz UPDGKUBYDUUNDZ-QAPCUYQASA-N 0 3 343.475 1.832 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cccnc1N1CCCCC1 ZINC000160667595 441907269 /nfs/dbraw/zinc/90/72/69/441907269.db2.gz BTBAYKHFDPYHKA-MRXNPFEDSA-N 0 3 346.475 1.649 20 70 EDIDHN O=C(N[C@H]1CCN(CC2CC2)C1)N1CCN(Cc2ccncc2)CC1 ZINC000160765537 441919537 /nfs/dbraw/zinc/91/95/37/441919537.db2.gz LDOGEVKVUZYTNQ-SFHVURJKSA-N 0 3 343.475 1.393 20 70 EDIDHN CC(C(=O)NC1CCC(C)CC1)S(=O)(=O)Cc1nccn1C ZINC000161199569 441971317 /nfs/dbraw/zinc/97/13/17/441971317.db2.gz CXHQFZWXYMOFRB-CPCZMJQVSA-N 0 3 327.450 1.418 20 70 EDIDHN C[C@H](CNC(=O)c1cccc2c1oc(=O)n2C)N1CCC(C)CC1 ZINC000161381500 441992232 /nfs/dbraw/zinc/99/22/32/441992232.db2.gz CRLLTYSLLGDQMX-CYBMUJFWSA-N 0 3 331.416 1.982 20 70 EDIDHN CCN1CCN(CCCNC(=O)[C@H](O)c2ccccc2Cl)CC1 ZINC000159435471 529144385 /nfs/dbraw/zinc/14/43/85/529144385.db2.gz CZKWKPWLCXNCRV-MRXNPFEDSA-N 0 3 339.867 1.517 20 70 EDIDHN CNS(=O)(=O)c1cccc([C@@H](C)NCCCN2CCCC2=O)c1 ZINC000159533561 530036001 /nfs/dbraw/zinc/03/60/01/530036001.db2.gz FMCLKTDOOFXQCF-CYBMUJFWSA-N 0 3 339.461 1.258 20 70 EDIDHN Cc1ccc([C@@H]2COCCN2C(=O)Nc2cnn(CCN(C)C)c2)o1 ZINC000161491066 540035070 /nfs/dbraw/zinc/03/50/70/540035070.db2.gz PXGNTQKJWKZJSN-HNNXBMFYSA-N 0 3 347.419 1.952 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccn(-c2ccc(F)cc2)n1 ZINC000160191541 283967285 /nfs/dbraw/zinc/96/72/85/283967285.db2.gz SAIFDFCYLDBEAW-MRXNPFEDSA-N 0 3 346.406 1.588 20 70 EDIDHN C[C@@H](N[C@@H](C)C(=O)NC(=O)NC1CC1)c1ccc(-n2ccnn2)cc1 ZINC000159839636 533494587 /nfs/dbraw/zinc/49/45/87/533494587.db2.gz ZFAVYIORMJEBBI-NEPJUHHUSA-N 0 3 342.403 1.295 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(-c2ccco2)[nH]c1=O ZINC000159940280 225306138 /nfs/dbraw/zinc/30/61/38/225306138.db2.gz WGOKGHCVLRFTNM-ZDUSSCGKSA-N 0 3 345.399 1.212 20 70 EDIDHN CSC[C@@](C)(O)CNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000159587155 225244540 /nfs/dbraw/zinc/24/45/40/225244540.db2.gz HOUGQMRQWVVXML-YOEHRIQHSA-N 0 3 339.505 1.920 20 70 EDIDHN CCN(CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)NC(=O)NC ZINC000160039900 279171806 /nfs/dbraw/zinc/17/18/06/279171806.db2.gz UGDZPSOVTOOFIW-CQSZACIVSA-N 0 3 347.463 1.464 20 70 EDIDHN COC[C@H](O)CCNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000161403065 302926419 /nfs/dbraw/zinc/92/64/19/302926419.db2.gz MYVPVNBWMKSIJL-GOSISDBHSA-N 0 3 349.475 1.102 20 70 EDIDHN NS(=O)(=O)c1cccc(NC(=O)CN2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000159660863 441827121 /nfs/dbraw/zinc/82/71/21/441827121.db2.gz QTBZQAZLECRGPL-WFASDCNBSA-N 0 3 337.445 1.537 20 70 EDIDHN CC(C)c1nn(C)c(Cl)c1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160608577 441901652 /nfs/dbraw/zinc/90/16/52/441901652.db2.gz MVYYRHWFUPAMFU-LBPRGKRZSA-N 0 3 342.871 1.774 20 70 EDIDHN Cc1cnn(-c2ccc(C(=O)NCC3CCN(CCO)CC3)cc2)c1 ZINC000160612624 441901829 /nfs/dbraw/zinc/90/18/29/441901829.db2.gz AVXUVQPAKBWSPH-UHFFFAOYSA-N 0 3 342.443 1.615 20 70 EDIDHN CN(C)[C@H](CNC(=O)CN(C)C[C@@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000160679528 441907851 /nfs/dbraw/zinc/90/78/51/441907851.db2.gz DXOCCUHVQXZPNW-OTWHNJEPSA-N 0 3 347.503 1.888 20 70 EDIDHN CC(C)(C)c1nc(CC(=O)NC[C@H](O)CN2CCCCC2)cs1 ZINC000160591406 441899256 /nfs/dbraw/zinc/89/92/56/441899256.db2.gz QSCMJINTPYHVPG-AWEZNQCLSA-N 0 3 339.505 1.946 20 70 EDIDHN Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@@H](N)C(C)C)CC1 ZINC000161254300 441977058 /nfs/dbraw/zinc/97/70/58/441977058.db2.gz FQECDTUXHYEZIT-WBVHZDCISA-N 0 3 347.459 1.416 20 70 EDIDHN O=C(CNC[C@H]1CCCO1)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000161304429 441983020 /nfs/dbraw/zinc/98/30/20/441983020.db2.gz ZPRIEKSVEAZJRK-QGZVFWFLSA-N 0 3 346.406 1.439 20 70 EDIDHN CCN1CCCN(C(=O)NCCN(C)Cc2ccc(F)cc2)CC1 ZINC000159946749 529024470 /nfs/dbraw/zinc/02/44/70/529024470.db2.gz DXVRXJZLBISERA-UHFFFAOYSA-N 0 3 336.455 1.995 20 70 EDIDHN CCc1nn(C)c(Cl)c1C(=O)NCCCN1CCN(CC)CC1 ZINC000160363325 529767094 /nfs/dbraw/zinc/76/70/94/529767094.db2.gz SPPNHMUOFVAEBL-UHFFFAOYSA-N 0 3 341.887 1.393 20 70 EDIDHN CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](CCO)CSC)c1 ZINC000160289950 530036304 /nfs/dbraw/zinc/03/63/04/530036304.db2.gz UANPVVOFDKRVGI-YPMHNXCESA-N 0 3 332.491 1.359 20 70 EDIDHN COc1cccc(COCCNC(=O)N2CCC[C@@H](N(C)C)C2)c1 ZINC000160588825 540024074 /nfs/dbraw/zinc/02/40/74/540024074.db2.gz LYOHJFUCEKSVNZ-MRXNPFEDSA-N 0 3 335.448 1.947 20 70 EDIDHN CSc1ccccc1NC(=O)CCN(C)CC(C)(CO)CO ZINC000159595358 533046499 /nfs/dbraw/zinc/04/64/99/533046499.db2.gz IHDPOUBWEZILKS-UHFFFAOYSA-N 0 3 326.462 1.660 20 70 EDIDHN CSCC[C@H](N)C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000159399308 533645661 /nfs/dbraw/zinc/64/56/61/533645661.db2.gz LPCUWOSRBBUSGZ-RYUDHWBXSA-N 0 3 341.864 1.642 20 70 EDIDHN Cc1cc(F)ccc1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000159390700 225208575 /nfs/dbraw/zinc/20/85/75/225208575.db2.gz WZYMLQSFCMTGOY-INIZCTEOSA-N 0 3 333.407 1.513 20 70 EDIDHN COc1ccc(C(=O)NCC2(N3CCCCC3)CCOCC2)nn1 ZINC000159840614 225288112 /nfs/dbraw/zinc/28/81/12/225288112.db2.gz LOTBDWJQXGMMKR-UHFFFAOYSA-N 0 3 334.420 1.250 20 70 EDIDHN COc1cccc(CCCN2CCC[C@H](CNS(N)(=O)=O)C2)c1 ZINC000160308271 225385259 /nfs/dbraw/zinc/38/52/59/225385259.db2.gz ANZKNWDUKILXDY-OAHLLOKOSA-N 0 3 341.477 1.133 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000160374459 225399879 /nfs/dbraw/zinc/39/98/79/225399879.db2.gz BSRQIQHNHVPDRK-HNNXBMFYSA-N 0 3 331.416 1.148 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000160075553 225331744 /nfs/dbraw/zinc/33/17/44/225331744.db2.gz UZJNOLAQJDHPIZ-DZGCQCFKSA-N 0 3 349.406 1.215 20 70 EDIDHN C[C@@H]1C[C@@H](NC(=O)N2CCNC(=O)[C@@H]2C)CN1Cc1ccccc1 ZINC000160087883 441858776 /nfs/dbraw/zinc/85/87/76/441858776.db2.gz MQCOCWYLRADTLR-IJEWVQPXSA-N 0 3 330.432 1.179 20 70 EDIDHN CN(C)CCN(C(=O)NCCNC(=O)c1cccnc1)C1CCCC1 ZINC000160243268 441868389 /nfs/dbraw/zinc/86/83/89/441868389.db2.gz MTRYXUAJHSCZTL-UHFFFAOYSA-N 0 3 347.463 1.327 20 70 EDIDHN COCCOc1ccc(CN2C[C@H](C(N)=O)CC[C@H]2C)cc1OC ZINC000159698454 441830889 /nfs/dbraw/zinc/83/08/89/441830889.db2.gz VLTVWDHBFLCLRC-UKRRQHHQSA-N 0 3 336.432 1.806 20 70 EDIDHN NC(=O)COc1ccc(CNC(=O)CN2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159720260 441832638 /nfs/dbraw/zinc/83/26/38/441832638.db2.gz CYSUPZMISRKEPS-RDJZCZTQSA-N 0 3 345.443 1.431 20 70 EDIDHN C[C@@H](C(=O)NCC1CCN(CCO)CC1)c1c(F)cccc1F ZINC000160010736 441853949 /nfs/dbraw/zinc/85/39/49/441853949.db2.gz FDHFGLVALPITCV-GFCCVEGCSA-N 0 3 326.387 1.889 20 70 EDIDHN O=C(NCC1CCN(CCO)CC1)c1cccc(-n2cccn2)c1 ZINC000160606896 441901264 /nfs/dbraw/zinc/90/12/64/441901264.db2.gz ODHWTDPDIMDADY-UHFFFAOYSA-N 0 3 328.416 1.306 20 70 EDIDHN Cc1noc(-c2ccccc2C(=O)NC[C@@H](O)CN2CCCCC2)n1 ZINC000160369432 441875621 /nfs/dbraw/zinc/87/56/21/441875621.db2.gz PRTLVDKUNSVRLH-CQSZACIVSA-N 0 3 344.415 1.622 20 70 EDIDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(NS(C)(=O)=O)cc1)CC2 ZINC000160433633 441882189 /nfs/dbraw/zinc/88/21/89/441882189.db2.gz QHEWXKWORUGWOW-ABAIWWIYSA-N 0 3 349.460 1.624 20 70 EDIDHN COc1cccc(OC)c1CC(=O)NC[C@H](O)CN1CCCCC1 ZINC000160508170 441891254 /nfs/dbraw/zinc/89/12/54/441891254.db2.gz XDVLKQMFOWUWQH-AWEZNQCLSA-N 0 3 336.432 1.209 20 70 EDIDHN Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CCC[C@H]3O)CC2)c1 ZINC000161204576 441972166 /nfs/dbraw/zinc/97/21/66/441972166.db2.gz BAZJSOWSGPKXRS-QZTJIDSGSA-N 0 3 331.460 1.537 20 70 EDIDHN CC(C)n1ncc2cc(C=CC(=O)N3CCCNCC3)c(=O)[nH]c21 ZINC000160868091 441930139 /nfs/dbraw/zinc/93/01/39/441930139.db2.gz NWIZXYHDRWSMNW-SNAWJCMRSA-N 0 3 329.404 1.141 20 70 EDIDHN CCC[C@@H]1CN(C(=O)NC[C@@H]2CCCN2C)CCN1CCOC ZINC000160977284 441942822 /nfs/dbraw/zinc/94/28/22/441942822.db2.gz FHIKECDBXCUQJZ-JKSUJKDBSA-N 0 3 326.485 1.223 20 70 EDIDHN CC(C)[C@@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)C(N)=O ZINC000161125782 441960981 /nfs/dbraw/zinc/96/09/81/441960981.db2.gz ZUAVCUAUETUNNO-MRXNPFEDSA-N 0 3 332.448 1.460 20 70 EDIDHN Cc1ccoc1C(=O)NCCCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000161446286 442001044 /nfs/dbraw/zinc/00/10/44/442001044.db2.gz QPKVLUFTPHYASQ-HNNXBMFYSA-N 0 3 329.400 1.394 20 70 EDIDHN C[C@H](O)CN1CCC(CN(C)S(=O)(=O)c2ccccc2F)CC1 ZINC000161466302 442002824 /nfs/dbraw/zinc/00/28/24/442002824.db2.gz BBONTVKHWCISGG-ZDUSSCGKSA-N 0 3 344.452 1.539 20 70 EDIDHN Cc1ccc(-n2cc(C(=O)NC[C@H](O)CN3CCCCC3)nn2)cc1 ZINC000160096630 534238496 /nfs/dbraw/zinc/23/84/96/534238496.db2.gz XGMZWDGBXQPDJQ-INIZCTEOSA-N 0 3 343.431 1.152 20 70 EDIDHN C[C@@H](N)C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000159525580 534287003 /nfs/dbraw/zinc/28/70/03/534287003.db2.gz VACPGUDKRCXMNW-SNVBAGLBSA-N 0 3 342.237 1.261 20 70 EDIDHN CCN1CCCN(C(=O)NCc2ccc(OCCOC)cc2)CC1 ZINC000159643003 529026637 /nfs/dbraw/zinc/02/66/37/529026637.db2.gz HQRCFVSMPXMIFC-UHFFFAOYSA-N 0 3 335.448 1.949 20 70 EDIDHN CCN1CCCN(C(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)CC1 ZINC000159917729 539483314 /nfs/dbraw/zinc/48/33/14/539483314.db2.gz AVFMGCZYOPAGAW-DOTOQJQBSA-N 0 3 344.459 1.918 20 70 EDIDHN COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C[NH3+])C1CCCCC1 ZINC000160157644 292044077 /nfs/dbraw/zinc/04/40/77/292044077.db2.gz RCPHUALRTGXCAW-NSHDSACASA-N 0 3 346.474 1.721 20 70 EDIDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCNC(=O)[C@@H]1C ZINC000159983654 225315487 /nfs/dbraw/zinc/31/54/87/225315487.db2.gz ITZFPBDTWIZMQC-DZKIICNBSA-N 0 3 330.432 1.037 20 70 EDIDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@]1(O)CCSC1 ZINC000160010708 225320298 /nfs/dbraw/zinc/32/02/98/225320298.db2.gz WBMJLJGROCEATH-QILLFSRXSA-N 0 3 349.500 1.674 20 70 EDIDHN Cc1nccn1CCCN(C)[C@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000160258858 225373397 /nfs/dbraw/zinc/37/33/97/225373397.db2.gz PQHVFVSIWWTWSQ-KRWDZBQOSA-N 0 3 340.427 1.841 20 70 EDIDHN Cc1ccc(C(=O)CCN(C)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000160171906 225353417 /nfs/dbraw/zinc/35/34/17/225353417.db2.gz CFMZIYYUHSTKHO-UHFFFAOYSA-N 0 3 338.473 1.924 20 70 EDIDHN CN(C)[C@H](CNC(=O)CN(C)C1(C(N)=O)CCCC1)c1ccccc1 ZINC000159549702 289352490 /nfs/dbraw/zinc/35/24/90/289352490.db2.gz KPVVWUHLKGJNOZ-MRXNPFEDSA-N 0 3 346.475 1.135 20 70 EDIDHN COc1cc(C)c(C(=O)NC[C@H](O)CN2CCCCC2)cc1OC ZINC000160077298 441857859 /nfs/dbraw/zinc/85/78/59/441857859.db2.gz PEFUIOJYEJRJNF-AWEZNQCLSA-N 0 3 336.432 1.589 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cnn(-c2ccccc2F)c1 ZINC000160211138 441864835 /nfs/dbraw/zinc/86/48/35/441864835.db2.gz CMPAMNSVKOMTLF-OAHLLOKOSA-N 0 3 346.406 1.588 20 70 EDIDHN CCN1CCCN(C(=O)NC[C@@H](C(C)C)N2CCOCC2)CC1 ZINC000159581153 441822174 /nfs/dbraw/zinc/82/21/74/441822174.db2.gz JIDWNCOLEBVUMB-INIZCTEOSA-N 0 3 326.485 1.080 20 70 EDIDHN CCN1CCCN(C(=O)NCc2ccc(NCCOC)cc2)CC1 ZINC000159838174 441841047 /nfs/dbraw/zinc/84/10/47/441841047.db2.gz LUQHAMNWBYABLO-UHFFFAOYSA-N 0 3 334.464 1.982 20 70 EDIDHN CCN1CCCN(C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000159863462 441843416 /nfs/dbraw/zinc/84/34/16/441843416.db2.gz OIEQXAAPDZPUGS-KRWDZBQOSA-N 0 3 344.459 1.919 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ncoc1-c1ccccc1 ZINC000159907337 441846468 /nfs/dbraw/zinc/84/64/68/441846468.db2.gz AHMGJRICOMWBBF-OAHLLOKOSA-N 0 3 329.400 1.918 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1csc([C@H]2CCCO2)n1 ZINC000160427583 441881394 /nfs/dbraw/zinc/88/13/94/441881394.db2.gz MBPIIKLUQSQALD-TZMCWYRMSA-N 0 3 339.461 1.571 20 70 EDIDHN COc1cccc(SCC(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160440786 441882778 /nfs/dbraw/zinc/88/27/78/441882778.db2.gz KDXSLEZAFXLHQT-AWEZNQCLSA-N 0 3 338.473 1.750 20 70 EDIDHN CC(=O)Nc1cc(C(=O)NC[C@@H](O)CN2CCCCC2)ccc1F ZINC000160570182 441898055 /nfs/dbraw/zinc/89/80/55/441898055.db2.gz FGDDUJJVAWGCSP-CQSZACIVSA-N 0 3 337.395 1.361 20 70 EDIDHN CCN(CCC(=O)NC(=O)Nc1ccccc1)Cc1cnn(C)c1 ZINC000161146231 441963969 /nfs/dbraw/zinc/96/39/69/441963969.db2.gz BUUXDBPLTUDTBA-UHFFFAOYSA-N 0 3 329.404 1.980 20 70 EDIDHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000161365911 441991466 /nfs/dbraw/zinc/99/14/66/441991466.db2.gz YNDZRTCLHJDFAQ-NXEZZACHSA-N 0 3 330.354 1.696 20 70 EDIDHN CC1(C)CCC(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000159990878 528894948 /nfs/dbraw/zinc/89/49/48/528894948.db2.gz SZCJAZIIYHNIEO-UHFFFAOYSA-N 0 3 335.492 1.969 20 70 EDIDHN Cc1c(CNC(=O)NCc2ccc(OCCN(C)C)cc2)cnn1C ZINC000160149198 225347827 /nfs/dbraw/zinc/34/78/27/225347827.db2.gz WLQOOWMYLYUSRU-UHFFFAOYSA-N 0 3 345.447 1.668 20 70 EDIDHN CSCC[C@@H](N)C(=O)NCCCNC(=O)c1cccc(F)c1 ZINC000159740681 441833806 /nfs/dbraw/zinc/83/38/06/441833806.db2.gz ODCASMPRJTVBNF-CYBMUJFWSA-N 0 3 327.425 1.142 20 70 EDIDHN CC(=O)Nc1cc(C(=O)NC[C@H](O)CN2CCCCC2)ccc1C ZINC000160389955 441876894 /nfs/dbraw/zinc/87/68/94/441876894.db2.gz PRYLYGDBVJFEDR-INIZCTEOSA-N 0 3 333.432 1.530 20 70 EDIDHN CNS(=O)(=O)c1cccc([C@H](C)N[C@H]2CCc3nc(C)nn3C2)c1 ZINC000160458070 441885388 /nfs/dbraw/zinc/88/53/88/441885388.db2.gz OTAIBOPVYFYEEM-FZMZJTMJSA-N 0 3 349.460 1.160 20 70 EDIDHN COc1cccc(CCCN2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000160516645 441891228 /nfs/dbraw/zinc/89/12/28/441891228.db2.gz FDTBZBGRQVZPHY-UHFFFAOYSA-N 0 3 345.487 1.868 20 70 EDIDHN O=C(Cc1c[nH]c2ccc(F)cc12)NC[C@@H](O)CN1CCCCC1 ZINC000160607902 441900394 /nfs/dbraw/zinc/90/03/94/441900394.db2.gz JPEZOZYHRHYJJY-OAHLLOKOSA-N 0 3 333.407 1.813 20 70 EDIDHN CCO[C@H]1C[C@H](O)C12CCN(C(=O)NC1CCN(C)CC1)CC2 ZINC000161230960 441974927 /nfs/dbraw/zinc/97/49/27/441974927.db2.gz PRMKTZGKUJUDJN-GJZGRUSLSA-N 0 3 325.453 1.042 20 70 EDIDHN CN(C)CCn1nnnc1SCc1nnc(-c2ccccc2)n1C ZINC000161026176 441947703 /nfs/dbraw/zinc/94/77/03/441947703.db2.gz ZMPVXYAFKOOUEO-UHFFFAOYSA-N 0 3 344.448 1.323 20 70 EDIDHN COCCN1CCC[C@H]1CNC(=O)NCC1(CCOC)CCCC1 ZINC000161098517 441956502 /nfs/dbraw/zinc/95/65/02/441956502.db2.gz DXUQBKDJLWWFFQ-INIZCTEOSA-N 0 3 341.496 1.993 20 70 EDIDHN CCc1ncc(NC(=O)N2CCN(C(=O)CN(CC)CC)CC2)cn1 ZINC000161164318 441964479 /nfs/dbraw/zinc/96/44/79/441964479.db2.gz TUZUEVUHZUUSFV-UHFFFAOYSA-N 0 3 348.451 1.057 20 70 EDIDHN CNCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000161290129 441980549 /nfs/dbraw/zinc/98/05/49/441980549.db2.gz QSSCLXHASFDGIT-LBPRGKRZSA-N 0 3 327.331 1.119 20 70 EDIDHN C[C@@H](N)C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000160134608 534287051 /nfs/dbraw/zinc/28/70/51/534287051.db2.gz CPDVHVFLEPBMMJ-LDYMZIIASA-N 0 3 331.294 1.154 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc(-c2ccccc2)on1 ZINC000160073937 295658347 /nfs/dbraw/zinc/65/83/47/295658347.db2.gz DUPOLPQWFVCLQM-OAHLLOKOSA-N 0 3 329.400 1.918 20 70 EDIDHN CCN1CCCN(C(=O)NCc2ccnc(-n3cccn3)c2)CC1 ZINC000159606988 540011026 /nfs/dbraw/zinc/01/10/26/540011026.db2.gz URWJYANXLPRMPW-UHFFFAOYSA-N 0 3 328.420 1.505 20 70 EDIDHN COc1cc(C)cc(CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000159667254 533634583 /nfs/dbraw/zinc/63/45/83/533634583.db2.gz SQMBVPKFDPWIHK-MRXNPFEDSA-N 0 3 348.491 1.686 20 70 EDIDHN Cc1noc(Cl)c1CCC(=O)NC[C@H](O)CN1CCCCC1 ZINC000159939725 225306426 /nfs/dbraw/zinc/30/64/26/225306426.db2.gz KOKDZOUCVQDNJV-LBPRGKRZSA-N 0 3 329.828 1.532 20 70 EDIDHN O=C(Cc1c[nH]c2cc(F)ccc12)NC[C@H](O)CN1CCCCC1 ZINC000160016775 225319558 /nfs/dbraw/zinc/31/95/58/225319558.db2.gz XLLZWJKXZWWMMC-HNNXBMFYSA-N 0 3 333.407 1.813 20 70 EDIDHN Cc1ccc(NC(=O)C(=O)NCc2cccc(CN(C)C)c2)cn1 ZINC000160292307 225380888 /nfs/dbraw/zinc/38/08/88/225380888.db2.gz VDCAEDWZKPPGQM-UHFFFAOYSA-N 0 3 326.400 1.707 20 70 EDIDHN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N(C)C[C@@H]2CCC[C@@H]2O)C1 ZINC000159537907 441819417 /nfs/dbraw/zinc/81/94/17/441819417.db2.gz FHTFHCILYCEWIR-JONQDZQNSA-N 0 3 340.464 1.269 20 70 EDIDHN NC(=O)[C@@H]1CCCN1C1CCN(CCOc2ccccc2F)CC1 ZINC000159423279 441811846 /nfs/dbraw/zinc/81/18/46/441811846.db2.gz DRZJRSWWCRRHRQ-INIZCTEOSA-N 0 3 335.423 1.619 20 70 EDIDHN CN1CCN(CCCCNC(=O)c2ccnc(-n3cccn3)c2)CC1 ZINC000159781684 441838118 /nfs/dbraw/zinc/83/81/18/441838118.db2.gz JCBRFVXPPXOASH-UHFFFAOYSA-N 0 3 342.447 1.025 20 70 EDIDHN CCCN1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000160357213 441873682 /nfs/dbraw/zinc/87/36/82/441873682.db2.gz SMUPFHXORIQJJN-SFHVURJKSA-N 0 3 343.471 1.979 20 70 EDIDHN CSCC[C@@H](N)C(=O)NCCCC(=O)N1Cc2ccccc2C1 ZINC000159805016 441840178 /nfs/dbraw/zinc/84/01/78/441840178.db2.gz HNINCBJMRHECRO-OAHLLOKOSA-N 0 3 335.473 1.506 20 70 EDIDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC2(C1)OCCO2 ZINC000159939699 441848816 /nfs/dbraw/zinc/84/88/16/441848816.db2.gz ZREHGCLEXZJOBG-RDJZCZTQSA-N 0 3 345.443 1.665 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000160617091 441901782 /nfs/dbraw/zinc/90/17/82/441901782.db2.gz GFBBMEPJHAZKPM-HNNXBMFYSA-N 0 3 346.406 1.792 20 70 EDIDHN CN(C)CCN(CCN(C)C)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160393648 441876848 /nfs/dbraw/zinc/87/68/48/441876848.db2.gz PFZJRMXCYYIUDA-CVEARBPZSA-N 0 3 326.485 1.079 20 70 EDIDHN CCCN1CCC(N(C)C(=O)c2ccc(CS(C)(=O)=O)o2)CC1 ZINC000160850097 441927914 /nfs/dbraw/zinc/92/79/14/441927914.db2.gz IAWGTLYKRYVPFX-UHFFFAOYSA-N 0 3 342.461 1.771 20 70 EDIDHN CN(C[C@@H]1CCCN(C)C1)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000160879341 441931306 /nfs/dbraw/zinc/93/13/06/441931306.db2.gz DDQXCQDFFJSYIX-LLVKDONJSA-N 0 3 347.385 1.922 20 70 EDIDHN CC(C)C[C@H](N)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000160975197 441942344 /nfs/dbraw/zinc/94/23/44/441942344.db2.gz XUWIKNRDJMIURY-HOCLYGCPSA-N 0 3 333.432 1.156 20 70 EDIDHN COC(=O)C(C)(C)c1ccc(NC(=O)CNC[C@H]2CCCO2)cc1 ZINC000161040892 441950265 /nfs/dbraw/zinc/95/02/65/441950265.db2.gz CBZAQCPXWHSZNA-OAHLLOKOSA-N 0 3 334.416 1.844 20 70 EDIDHN CC(=O)c1cccc(OCC(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000159976777 527373178 /nfs/dbraw/zinc/37/31/78/527373178.db2.gz QNPXDBNYRADQPW-MRXNPFEDSA-N 0 3 334.416 1.231 20 70 EDIDHN O=C(CN1CCN(c2ccncc2)CC1)N1CCC(c2ccccc2)=N1 ZINC000161350234 540033157 /nfs/dbraw/zinc/03/31/57/540033157.db2.gz JHZWBWWELWLVME-UHFFFAOYSA-N 0 3 349.438 1.840 20 70 EDIDHN O=C(CN1CCN(c2ccncc2)CC1)NCc1ccccc1F ZINC000161392488 540033842 /nfs/dbraw/zinc/03/38/42/540033842.db2.gz QTBVQDIOFRYYJD-UHFFFAOYSA-N 0 3 328.391 1.659 20 70 EDIDHN O=C(COc1ccccc1Cl)NC[C@@H](O)CN1CCCCC1 ZINC000159956797 225310199 /nfs/dbraw/zinc/31/01/99/225310199.db2.gz BJIISZASZRSSJV-CYBMUJFWSA-N 0 3 326.824 1.682 20 70 EDIDHN Cc1nc(C(=O)N2CCN(C3CCC(C)CC3)CC2)c(=O)[nH]c1C ZINC000160002924 225318066 /nfs/dbraw/zinc/31/80/66/225318066.db2.gz FOGFSHYWSNOMAR-UHFFFAOYSA-N 0 3 332.448 1.723 20 70 EDIDHN COCCN1CCC(NC(=O)Cc2cccc(C(=O)OC)c2)CC1 ZINC000160300379 225383789 /nfs/dbraw/zinc/38/37/89/225383789.db2.gz LJFTUEPKPDTFQF-UHFFFAOYSA-N 0 3 334.416 1.243 20 70 EDIDHN CCCN1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000160357075 441873722 /nfs/dbraw/zinc/87/37/22/441873722.db2.gz SMUPFHXORIQJJN-GOSISDBHSA-N 0 3 343.471 1.979 20 70 EDIDHN CC(=O)N1CC[C@H](NC(=O)NC(C)(C)CN(C)Cc2ccccc2)C1 ZINC000159923371 441847189 /nfs/dbraw/zinc/84/71/89/441847189.db2.gz KNWFKNXLFWUHGG-KRWDZBQOSA-N 0 3 346.475 1.817 20 70 EDIDHN CN(C)[C@@H](CNC(=O)CN(C)C[C@@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000160679381 441907886 /nfs/dbraw/zinc/90/78/86/441907886.db2.gz DXOCCUHVQXZPNW-FHWLQOOXSA-N 0 3 347.503 1.888 20 70 EDIDHN COCCN1CCC[C@H]1CNC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160731432 441914429 /nfs/dbraw/zinc/91/44/29/441914429.db2.gz XOOFSDOPBXNSRC-NSHDSACASA-N 0 3 349.357 1.678 20 70 EDIDHN Cn1nccc1/C=C/C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000160764252 441918116 /nfs/dbraw/zinc/91/81/16/441918116.db2.gz NDKYRGSEVKNTJE-YQJUVHNHSA-N 0 3 340.427 1.185 20 70 EDIDHN CCCN1CCCN(C(=O)CCCS(=O)(=O)N2CCCC2)CC1 ZINC000160371133 441875337 /nfs/dbraw/zinc/87/53/37/441875337.db2.gz ALNZQJQXPMDCDV-UHFFFAOYSA-N 0 3 345.509 1.137 20 70 EDIDHN CCN1CCN(CCCCNC(=O)N(C[C@@H](C)O)C(C)C)CC1 ZINC000160399953 441878114 /nfs/dbraw/zinc/87/81/14/441878114.db2.gz IDFKDRSLGOVBCA-MRXNPFEDSA-N 0 3 328.501 1.205 20 70 EDIDHN COC(=O)c1ccc(/C=C/C(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160501646 441890108 /nfs/dbraw/zinc/89/01/08/441890108.db2.gz IRIRKKFVQUUTDA-JEJOPICUSA-N 0 3 346.427 1.449 20 70 EDIDHN CC(C)(C)c1noc(CCC(=O)NCC2CCN(CCO)CC2)n1 ZINC000160572027 441897317 /nfs/dbraw/zinc/89/73/17/441897317.db2.gz VTMLZEYVPQSLLP-UHFFFAOYSA-N 0 3 338.452 1.120 20 70 EDIDHN C[C@@H](N[C@H](C)c1ccccc1-n1cccn1)C(=O)NC(=O)NC1CC1 ZINC000160872335 441930217 /nfs/dbraw/zinc/93/02/17/441930217.db2.gz ZBSIWCRAHQHLBV-CHWSQXEVSA-N 0 3 341.415 1.900 20 70 EDIDHN C[C@@H](NC(=O)C(=O)Nc1cccc(CN(C)C)c1)C1CCOCC1 ZINC000161043381 441950193 /nfs/dbraw/zinc/95/01/93/441950193.db2.gz NPESSILTAIYFRC-CYBMUJFWSA-N 0 3 333.432 1.618 20 70 EDIDHN CN(C)CCn1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)n1 ZINC000161088297 441955303 /nfs/dbraw/zinc/95/53/03/441955303.db2.gz INABJHUVCBTTAW-GOEBONIOSA-N 0 3 329.404 1.225 20 70 EDIDHN COc1cccc(N2CCC[C@H](NC(=O)[C@H]3CCCCN3)C2=O)c1 ZINC000161091981 441956461 /nfs/dbraw/zinc/95/64/61/441956461.db2.gz GEGOXBZTPVRKOT-CVEARBPZSA-N 0 3 331.416 1.449 20 70 EDIDHN CCOCCCNC(=O)[C@@H](C)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159853715 318421225 /nfs/dbraw/zinc/42/12/25/318421225.db2.gz ZLTGHKHEWUETCA-HUUCEWRRSA-N 0 3 345.447 1.849 20 70 EDIDHN CCN(C)C(=O)CNC[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000218194011 443057893 /nfs/dbraw/zinc/05/78/93/443057893.db2.gz VXCWPDQPIIWNKG-LLVKDONJSA-N 0 3 335.231 1.801 20 70 EDIDHN CCOc1ncc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1Cl ZINC000160204630 528776241 /nfs/dbraw/zinc/77/62/41/528776241.db2.gz YRCSTSRFDHBZOY-CYBMUJFWSA-N 0 3 341.839 1.710 20 70 EDIDHN CCOC(=O)CNC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000160089869 528816571 /nfs/dbraw/zinc/81/65/71/528816571.db2.gz IJMSUSTZCARYKO-UHFFFAOYSA-N 0 3 334.416 1.184 20 70 EDIDHN CCN1CCCN(C(=O)NC2CCN(Cc3ccccn3)CC2)CC1 ZINC000159597258 529023544 /nfs/dbraw/zinc/02/35/44/529023544.db2.gz LPNQGGDSEUMVTO-UHFFFAOYSA-N 0 3 345.491 1.783 20 70 EDIDHN COC(=O)[C@H]1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000160024145 533417032 /nfs/dbraw/zinc/41/70/32/533417032.db2.gz RSKYASQSUNYHOR-XIRDDKMYSA-N 0 3 345.443 1.711 20 70 EDIDHN CSCC[C@@H](N)C(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC000159710165 533602561 /nfs/dbraw/zinc/60/25/61/533602561.db2.gz CCKUPHXPGWTSSN-CYBMUJFWSA-N 0 3 327.425 1.142 20 70 EDIDHN CCS(=O)(=O)N(C)CCCNC(=O)c1ccc(CN(C)C)cc1 ZINC000160193729 225357958 /nfs/dbraw/zinc/35/79/58/225357958.db2.gz FUECZAZDVZEFNU-UHFFFAOYSA-N 0 3 341.477 1.150 20 70 EDIDHN C[C@H](O)[C@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000159431071 441813232 /nfs/dbraw/zinc/81/32/32/441813232.db2.gz JIXVFRFPSMVJRA-SZMVWBNQSA-N 0 3 333.476 1.498 20 70 EDIDHN CCc1noc(C)c1NC(=O)C(=O)NC[C@H](C(C)C)N1CCCC1 ZINC000160232713 441867101 /nfs/dbraw/zinc/86/71/01/441867101.db2.gz IURXEYKWPLRJTJ-CQSZACIVSA-N 0 3 336.436 1.721 20 70 EDIDHN CSC[C@H](CCO)N[C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000160264707 441870206 /nfs/dbraw/zinc/87/02/06/441870206.db2.gz QEQFBFSAIHWBPD-RISCZKNCSA-N 0 3 332.491 1.823 20 70 EDIDHN CSCC[C@H](N)C(=O)NCCCNC(=O)c1cccc(F)c1 ZINC000159738507 441833986 /nfs/dbraw/zinc/83/39/86/441833986.db2.gz ODCASMPRJTVBNF-ZDUSSCGKSA-N 0 3 327.425 1.142 20 70 EDIDHN CC(C)[C@H](N)C(=O)N1CCCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000159947963 441849734 /nfs/dbraw/zinc/84/97/34/441849734.db2.gz JAFLMBJSLLVNFS-HNNXBMFYSA-N 0 3 339.386 1.623 20 70 EDIDHN Cn1nccc1/C=C/C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000160764376 441917966 /nfs/dbraw/zinc/91/79/66/441917966.db2.gz NDKYRGSEVKNTJE-KBSZCIAZSA-N 0 3 340.427 1.185 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cnc(-c2ncccn2)s1 ZINC000160418335 441880696 /nfs/dbraw/zinc/88/06/96/441880696.db2.gz LVBVGAOHABNPNC-GFCCVEGCSA-N 0 3 347.444 1.177 20 70 EDIDHN CC[C@H](COC)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000160434278 441882396 /nfs/dbraw/zinc/88/23/96/441882396.db2.gz YLOYADCZBUAPEG-OAHLLOKOSA-N 0 3 326.462 1.986 20 70 EDIDHN Cc1cc(C)n2nc(C(=O)NC[C@H]3CCCN3CC(C)C)nc2n1 ZINC000160457623 441886472 /nfs/dbraw/zinc/88/64/72/441886472.db2.gz FVVGPQQJOHELEQ-CQSZACIVSA-N 0 3 330.436 1.591 20 70 EDIDHN CCc1c(C(=O)NCc2cccc(CN(C)C)c2)[nH]c(C)c1C(N)=O ZINC000160538836 441893801 /nfs/dbraw/zinc/89/38/01/441893801.db2.gz WBLGSARJBCCKEP-UHFFFAOYSA-N 0 3 342.443 1.976 20 70 EDIDHN CNS(=O)(=O)c1cccc([C@H](C)NC[C@@H]2CCCC[C@@H]2O)c1 ZINC000160563230 441897389 /nfs/dbraw/zinc/89/73/89/441897389.db2.gz CVOFZAPBQNOAOV-NOLJZWGESA-N 0 3 326.462 1.796 20 70 EDIDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(N3CCNC3=O)ccc2F)C1 ZINC000161246147 441976283 /nfs/dbraw/zinc/97/62/83/441976283.db2.gz ZSYMZVINMNMUKZ-WBMJQRKESA-N 0 3 348.422 1.814 20 70 EDIDHN CN(C)CCOc1ccccc1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC000160993136 441945570 /nfs/dbraw/zinc/94/55/70/441945570.db2.gz HBVSLMVTTJPICW-OAHLLOKOSA-N 0 3 342.443 1.702 20 70 EDIDHN CCN1CCCC[C@H]1CNC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000160145088 529010999 /nfs/dbraw/zinc/01/09/99/529010999.db2.gz FQPSNFDEPMVDRT-SFHVURJKSA-N 0 3 345.491 1.783 20 70 EDIDHN CCN1CCN(CCC(=O)NC[C@@H](C[C@H](C)O)c2ccccc2)CC1 ZINC000159691388 529141000 /nfs/dbraw/zinc/14/10/00/529141000.db2.gz NWJXTXGPZKOQFW-PKOBYXMFSA-N 0 3 347.503 1.685 20 70 EDIDHN COc1ccccc1NC(=O)CN1CCN(c2ccncc2)CC1 ZINC000161298842 539484712 /nfs/dbraw/zinc/48/47/12/539484712.db2.gz ZYHUDLKVUZACRJ-UHFFFAOYSA-N 0 3 326.400 1.851 20 70 EDIDHN C[C@H](Oc1cccc(CO)c1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000161079223 540030514 /nfs/dbraw/zinc/03/05/14/540030514.db2.gz ZSFRBNOGVGBETG-HNNXBMFYSA-N 0 3 341.411 1.690 20 70 EDIDHN COc1cccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1[O-] ZINC000159450702 533404604 /nfs/dbraw/zinc/40/46/04/533404604.db2.gz ZBZAOFIYJHUTFG-JKSUJKDBSA-N 0 3 348.443 1.899 20 70 EDIDHN COCCN(C)CCCNC(=O)NC[C@@H](C)c1c(C)noc1C ZINC000159636412 225253195 /nfs/dbraw/zinc/25/31/95/225253195.db2.gz NHOXFDXGHDGVNT-GFCCVEGCSA-N 0 3 326.441 1.662 20 70 EDIDHN C[C@H]1C[C@@H](NC(=O)N2CCNC(=O)[C@@H]2C)CN1Cc1ccccc1 ZINC000160088015 225335376 /nfs/dbraw/zinc/33/53/76/225335376.db2.gz MQCOCWYLRADTLR-OFQRWUPVSA-N 0 3 330.432 1.179 20 70 EDIDHN CN(C)C[C@H]1CN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)CCO1 ZINC000160519125 267503238 /nfs/dbraw/zinc/50/32/38/267503238.db2.gz XJKYDOHPWXREEX-HNNXBMFYSA-N 0 3 344.419 1.276 20 70 EDIDHN CCc1noc(C)c1NC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000160007680 302919773 /nfs/dbraw/zinc/91/97/73/302919773.db2.gz KZAIDSKYHZCZGR-UHFFFAOYSA-N 0 3 344.415 1.862 20 70 EDIDHN CCc1n[nH]c(=O)c(CNC(=O)N(C)CCN2CCCC2)c1CC ZINC000160479939 302922609 /nfs/dbraw/zinc/92/26/09/302922609.db2.gz WSTIGZFQHWGEFY-UHFFFAOYSA-N 0 3 335.452 1.132 20 70 EDIDHN CCc1n[nH]c(=O)c(CNC(=O)c2cccc(CN(C)C)c2)c1CC ZINC000160111717 441860585 /nfs/dbraw/zinc/86/05/85/441860585.db2.gz CTRYEKUUPFXWEC-UHFFFAOYSA-N 0 3 342.443 1.886 20 70 EDIDHN CC(C)C(=O)NCCN(C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000160216139 441866361 /nfs/dbraw/zinc/86/63/61/441866361.db2.gz IIMARNXFTGCVEC-QGZVFWFLSA-N 0 3 348.491 1.110 20 70 EDIDHN C[C@@H]1C[C@H](NC(=O)N2CCNC(=O)CC2)CN1Cc1ccccc1 ZINC000160263528 441869796 /nfs/dbraw/zinc/86/97/96/441869796.db2.gz SOSZAJSHOYAURI-ZBFHGGJFSA-N 0 3 330.432 1.181 20 70 EDIDHN Cn1cc(CNC(=O)N2CC[C@H](N3CCCC3)C2)c(C(F)(F)F)n1 ZINC000160831808 441926638 /nfs/dbraw/zinc/92/66/38/441926638.db2.gz AYZWMPUNWJSVIS-LBPRGKRZSA-N 0 3 345.369 1.819 20 70 EDIDHN CCN(Cc1ccc(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1)C1CC1 ZINC000161093341 441956517 /nfs/dbraw/zinc/95/65/17/441956517.db2.gz AQPRYLYHJYIXAC-DLBZAZTESA-N 0 3 345.443 1.434 20 70 EDIDHN Cc1ccoc1C(=O)NCCCNC(=O)[C@H](N)Cc1ccccc1 ZINC000161446717 442000759 /nfs/dbraw/zinc/00/07/59/442000759.db2.gz QPKVLUFTPHYASQ-OAHLLOKOSA-N 0 3 329.400 1.394 20 70 EDIDHN O=C(C[C@@H]1CNCCO1)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000161305678 441983611 /nfs/dbraw/zinc/98/36/11/441983611.db2.gz VGXCTZGJXXUJGV-MRXNPFEDSA-N 0 3 332.379 1.049 20 70 EDIDHN C[C@@H](NC(=O)c1ccc(CN(C)C)cc1)C(=O)NCc1ccco1 ZINC000161472419 442003238 /nfs/dbraw/zinc/00/32/38/442003238.db2.gz YGUDBJDEBVQKGR-CYBMUJFWSA-N 0 3 329.400 1.776 20 70 EDIDHN CCN1CCCN(C(=O)NC2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000159577036 529023851 /nfs/dbraw/zinc/02/38/51/529023851.db2.gz PSDLHHHRGDCJOH-UHFFFAOYSA-N 0 3 348.447 1.621 20 70 EDIDHN COC1(CNC(=O)c2ccccc2OCCN(C)C)CCOCC1 ZINC000159398977 540009107 /nfs/dbraw/zinc/00/91/07/540009107.db2.gz CATKEYBEQBQHBD-UHFFFAOYSA-N 0 3 336.432 1.552 20 70 EDIDHN COc1cc(C)cc(CNC(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000159667389 533634477 /nfs/dbraw/zinc/63/44/77/533634477.db2.gz SQMBVPKFDPWIHK-INIZCTEOSA-N 0 3 348.491 1.686 20 70 EDIDHN N[C@@H](Cc1ccccc1)C(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC000159708604 225263966 /nfs/dbraw/zinc/26/39/66/225263966.db2.gz UOMQDDFNZFEUIZ-KRWDZBQOSA-N 0 3 343.402 1.632 20 70 EDIDHN COCCCN(C)CCNC(=O)c1c(C)onc1-c1ccncc1 ZINC000160006107 225317841 /nfs/dbraw/zinc/31/78/41/225317841.db2.gz GJJYCZGOTOVVRP-UHFFFAOYSA-N 0 3 332.404 1.743 20 70 EDIDHN C[C@H]1C[C@H](NC(=O)N2CCN(C)C(=O)C2)CN1Cc1ccccc1 ZINC000160007224 225318100 /nfs/dbraw/zinc/31/81/00/225318100.db2.gz LKGCBFSJKCFYAY-HOCLYGCPSA-N 0 3 330.432 1.133 20 70 EDIDHN CN(C)[C@H]1CCN(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)C1 ZINC000159605394 225248960 /nfs/dbraw/zinc/24/89/60/225248960.db2.gz AXHITWNGCOLFIQ-STQMWFEESA-N 0 3 337.855 1.659 20 70 EDIDHN COCCN1CCC(NC(=O)c2sc(COC)nc2C)CC1 ZINC000160300685 225383488 /nfs/dbraw/zinc/38/34/88/225383488.db2.gz HBACYPBZTYMERO-UHFFFAOYSA-N 0 3 327.450 1.439 20 70 EDIDHN C[C@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@@H]1CO ZINC000159442945 441813501 /nfs/dbraw/zinc/81/35/01/441813501.db2.gz PHIBYXUDTILWTK-RYQLBKOJSA-N 0 3 333.476 1.498 20 70 EDIDHN CN(C)Cc1cc(CNC(=O)CN(C)[C@H]2CCSC2)ccc1F ZINC000159635104 441825757 /nfs/dbraw/zinc/82/57/57/441825757.db2.gz ZGEFDHGKVCPFFV-HNNXBMFYSA-N 0 3 339.480 1.941 20 70 EDIDHN CC(C)C[C@@H](C)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000159838568 441840985 /nfs/dbraw/zinc/84/09/85/441840985.db2.gz LLOPEIFTSZKIFM-HUUCEWRRSA-N 0 3 326.485 1.663 20 70 EDIDHN Cn1cc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c(C(F)(F)F)n1 ZINC000160826683 441924772 /nfs/dbraw/zinc/92/47/72/441924772.db2.gz JACWWKSCKDFSSZ-NEPJUHHUSA-N 0 3 345.369 1.817 20 70 EDIDHN Cc1nn(C)c2nc(C)cc(C(=O)NC[C@H](O)CN3CCCCC3)c12 ZINC000160428457 441881947 /nfs/dbraw/zinc/88/19/47/441881947.db2.gz LPAPCZAJGGFOHP-AWEZNQCLSA-N 0 3 345.447 1.162 20 70 EDIDHN Cc1cc(Br)oc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160519715 441891468 /nfs/dbraw/zinc/89/14/68/441891468.db2.gz IQUSELDZQBKSIU-NSHDSACASA-N 0 3 345.237 1.927 20 70 EDIDHN Cc1csc(N2CCC(NCC(=O)NCC(F)(F)F)CC2)n1 ZINC000160538514 441894091 /nfs/dbraw/zinc/89/40/91/441894091.db2.gz GBHJRKITWSUGOR-UHFFFAOYSA-N 0 3 336.383 1.688 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1cccnc1SC(F)F ZINC000160549812 441895200 /nfs/dbraw/zinc/89/52/00/441895200.db2.gz LSRYOLRMWHAEOC-NSHDSACASA-N 0 3 345.415 1.973 20 70 EDIDHN Cc1noc(C)c1S(=O)(=O)N(C)CC1CCN(C[C@@H](C)O)CC1 ZINC000161437339 441999469 /nfs/dbraw/zinc/99/94/69/441999469.db2.gz VWFMVBGZTIQPPG-LLVKDONJSA-N 0 3 345.465 1.005 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000160374594 534538859 /nfs/dbraw/zinc/53/88/59/534538859.db2.gz BSRQIQHNHVPDRK-OAHLLOKOSA-N 0 3 331.416 1.148 20 70 EDIDHN CC[C@@H](C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1)N(C)C ZINC000159455677 529291611 /nfs/dbraw/zinc/29/16/11/529291611.db2.gz NAZLEGAFHQBXRP-KRWDZBQOSA-N 0 3 346.475 1.282 20 70 EDIDHN C[C@H]1C[C@@H](NC(=O)N2CCC3(C2)OCCO3)CN1Cc1ccccc1 ZINC000160324855 291072518 /nfs/dbraw/zinc/07/25/18/291072518.db2.gz ZQQHXNSCUKDAQK-DOTOQJQBSA-N 0 3 345.443 1.808 20 70 EDIDHN C[C@@H](C(=O)NC(C)(C)CCS(C)(=O)=O)[C@@H](N)c1ccccc1 ZINC000161035591 286768852 /nfs/dbraw/zinc/76/88/52/286768852.db2.gz JSBXIQYDEDBYDO-TZMCWYRMSA-N 0 3 326.462 1.652 20 70 EDIDHN COCCN(CCOC)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000160205215 225359613 /nfs/dbraw/zinc/35/96/13/225359613.db2.gz TZKIZXIPOHOMLD-WMZOPIPTSA-N 0 3 349.475 1.954 20 70 EDIDHN CN(C)[C@H](CNC(=O)CN(C)CCc1ccncc1)c1ccccc1 ZINC000160217737 225363010 /nfs/dbraw/zinc/36/30/10/225363010.db2.gz SQTDZHPVHJZSQO-LJQANCHMSA-N 0 3 340.471 1.975 20 70 EDIDHN Cc1cc(F)c(S(=O)(=O)[N-]CC2CC[NH+](CCO)CC2)cc1F ZINC000161406826 267509911 /nfs/dbraw/zinc/50/99/11/267509911.db2.gz CAFKNQPNNDROMN-UHFFFAOYSA-N 0 3 348.415 1.256 20 70 EDIDHN CC(C)CCS(=O)(=O)Nc1ccc(OC[C@H](O)CN(C)C)cc1 ZINC000160115205 441860133 /nfs/dbraw/zinc/86/01/33/441860133.db2.gz LYRYDYJTVXUWQJ-OAHLLOKOSA-N 0 3 344.477 1.776 20 70 EDIDHN C[C@H](N[C@H](C(N)=O)c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000160203128 441865357 /nfs/dbraw/zinc/86/53/57/441865357.db2.gz VPEWMNRBHQOORX-NDMJEZRESA-N 0 3 327.222 1.990 20 70 EDIDHN C[C@@H]1C[C@H](NC(=O)N2CCN(Cc3ccccn3)CC2)CN1C1CC1 ZINC000160641771 441904415 /nfs/dbraw/zinc/90/44/15/441904415.db2.gz OTPRUZFWUHGRNI-WBVHZDCISA-N 0 3 343.475 1.534 20 70 EDIDHN CCOC(=O)C[C@@H](C)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000160528520 441893144 /nfs/dbraw/zinc/89/31/44/441893144.db2.gz PICLWOXNDLOFIT-MRXNPFEDSA-N 0 3 347.459 1.657 20 70 EDIDHN O=C(NCC1CCN(CCO)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000160552427 441896362 /nfs/dbraw/zinc/89/63/62/441896362.db2.gz CTLLHXDSFGBURU-UHFFFAOYSA-N 0 3 345.443 1.248 20 70 EDIDHN Cc1ccc(F)c(S(=O)(=O)NCC2CCN(CCO)CC2)c1 ZINC000161409264 441996726 /nfs/dbraw/zinc/99/67/26/441996726.db2.gz SMCAGGHBEWSDIJ-UHFFFAOYSA-N 0 3 330.425 1.117 20 70 EDIDHN Cc1ccc(NC(=O)[C@@H](N)C(C)C)cc1S(=O)(=O)NC1CC1 ZINC000161343217 441988425 /nfs/dbraw/zinc/98/84/25/441988425.db2.gz BFDLHMCIZQMSBU-AWEZNQCLSA-N 0 3 325.434 1.358 20 70 EDIDHN CSC[C@](C)(O)CNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000159587407 533824057 /nfs/dbraw/zinc/82/40/57/533824057.db2.gz HOUGQMRQWVVXML-WMLDXEAASA-N 0 3 339.505 1.920 20 70 EDIDHN C[C@@H](O)[C@H]1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000159992392 533839850 /nfs/dbraw/zinc/83/98/50/533839850.db2.gz MMVVYMDSZSICJI-MVJTYMMSSA-N 0 3 331.460 1.919 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(C(F)(F)F)nc1 ZINC000159925772 534538241 /nfs/dbraw/zinc/53/82/41/534538241.db2.gz XNFJCKCQUPRREF-GFCCVEGCSA-N 0 3 331.338 1.677 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1sccc1OC(F)F ZINC000160082683 534625484 /nfs/dbraw/zinc/62/54/84/534625484.db2.gz HEIGYAMKXBQYDU-JTQLQIEISA-N 0 3 334.388 1.926 20 70 EDIDHN CC(C)N(CCc1nccs1)C[C@H](O)COC1CCOCC1 ZINC000159920656 528917058 /nfs/dbraw/zinc/91/70/58/528917058.db2.gz MOYVVCAKANDCIC-AWEZNQCLSA-N 0 3 328.478 1.953 20 70 EDIDHN CN(C)[C@@H](CNC(=O)CN1CCC[C@H]1C(C)(C)O)c1ccccc1 ZINC000159414961 138636652 /nfs/dbraw/zinc/63/66/52/138636652.db2.gz FJUDLEZTDUJPAG-IRXDYDNUSA-N 0 3 333.476 1.641 20 70 EDIDHN COc1ccc(C(C)=O)cc1CC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000159978851 533367917 /nfs/dbraw/zinc/36/79/17/533367917.db2.gz YSPULXSPSHKFIK-QGZVFWFLSA-N 0 3 348.443 1.403 20 70 EDIDHN C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159470979 225223416 /nfs/dbraw/zinc/22/34/16/225223416.db2.gz QXNCZRUAPMBVJD-UGUYLWEFSA-N 0 3 348.443 1.424 20 70 EDIDHN COCCN(C)CCCNC(=O)c1ccc(C(=O)NC(C)C)cc1 ZINC000160342354 225392745 /nfs/dbraw/zinc/39/27/45/225392745.db2.gz GNQADEDMOWPXKH-UHFFFAOYSA-N 0 3 335.448 1.523 20 70 EDIDHN Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@@H](C)CN2CCCCC2)c1 ZINC000160266150 441869615 /nfs/dbraw/zinc/86/96/15/441869615.db2.gz MOXZEYRCXYIYGM-ZDUSSCGKSA-N 0 3 339.461 1.247 20 70 EDIDHN COCCN(C)CCCNC(=O)N1CCC(C2CCOCC2)CC1 ZINC000159636839 441826513 /nfs/dbraw/zinc/82/65/13/441826513.db2.gz NIPCTOGDAUOAKZ-UHFFFAOYSA-N 0 3 341.496 1.803 20 70 EDIDHN CCN1CCCC[C@H]1C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000160338423 441873320 /nfs/dbraw/zinc/87/33/20/441873320.db2.gz KKUSTNMSLAWJHQ-INIZCTEOSA-N 0 3 325.497 1.678 20 70 EDIDHN CC(=O)c1cccc(O[C@H](C)C(=O)NCC2CCN(CCO)CC2)c1 ZINC000160669711 441906706 /nfs/dbraw/zinc/90/67/06/441906706.db2.gz GJBYYQVGDDCIPI-OAHLLOKOSA-N 0 3 348.443 1.477 20 70 EDIDHN O=C(NCC1CCN(CCO)CC1)c1cnn(-c2ccccc2)c1 ZINC000160671092 441908481 /nfs/dbraw/zinc/90/84/81/441908481.db2.gz FSGKLACTYIKSJJ-UHFFFAOYSA-N 0 3 328.416 1.306 20 70 EDIDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000160380593 441875581 /nfs/dbraw/zinc/87/55/81/441875581.db2.gz WRXFUWDLIAGXLS-WBVHZDCISA-N 0 3 325.416 1.824 20 70 EDIDHN C[C@H](NCc1cccc(C(=O)NCCN(C)C)c1)c1cnn(C)c1 ZINC000161245472 441975822 /nfs/dbraw/zinc/97/58/22/441975822.db2.gz RQXDUPBGQYVYJM-AWEZNQCLSA-N 0 3 329.448 1.562 20 70 EDIDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000160896614 441933424 /nfs/dbraw/zinc/93/34/24/441933424.db2.gz FEZJQBRKQRWQFY-PWSUYJOCSA-N 0 3 347.385 1.921 20 70 EDIDHN Cc1ccccc1CN(C)C(=O)C(C)S(=O)(=O)Cc1nccn1C ZINC000161172717 441966601 /nfs/dbraw/zinc/96/66/01/441966601.db2.gz CXYWOXXVMCENLY-AWEZNQCLSA-N 0 3 349.456 1.690 20 70 EDIDHN CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159878943 528170352 /nfs/dbraw/zinc/17/03/52/528170352.db2.gz HATOFCJDKLQWPA-NEPJUHHUSA-N 0 3 330.392 1.152 20 70 EDIDHN CCN1CCCN(C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000159998613 539483267 /nfs/dbraw/zinc/48/32/67/539483267.db2.gz SIIRVFYXXSVMJL-MRXNPFEDSA-N 0 3 336.480 1.515 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccn(-c2ccc(F)cc2)n1 ZINC000160191403 283988149 /nfs/dbraw/zinc/98/81/49/283988149.db2.gz SAIFDFCYLDBEAW-INIZCTEOSA-N 0 3 346.406 1.588 20 70 EDIDHN C[C@@H](O)CN(C)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000159381044 533649194 /nfs/dbraw/zinc/64/91/94/533649194.db2.gz WIDLOYLDZPMCLZ-CVEARBPZSA-N 0 3 333.476 1.468 20 70 EDIDHN COCCN(C)CCCNC(=O)c1cccc(NC(=O)N(C)C)c1 ZINC000159800951 225279245 /nfs/dbraw/zinc/27/92/45/225279245.db2.gz FLPBACCGNYEHJF-UHFFFAOYSA-N 0 3 336.436 1.478 20 70 EDIDHN Cc1ccc(-n2cc(C(=O)NC[C@@H](O)CN3CCCCC3)nn2)cc1 ZINC000160096769 225336609 /nfs/dbraw/zinc/33/66/09/225336609.db2.gz XGMZWDGBXQPDJQ-MRXNPFEDSA-N 0 3 343.431 1.152 20 70 EDIDHN Cc1ccccc1-n1cc(C(=O)NC[C@H](O)CN2CCCCC2)cn1 ZINC000160204256 225359748 /nfs/dbraw/zinc/35/97/48/225359748.db2.gz IMHBZRHCBLTEBL-KRWDZBQOSA-N 0 3 342.443 1.757 20 70 EDIDHN CC(C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)S(=O)(=O)Cc1nccn1C ZINC000161194915 298189051 /nfs/dbraw/zinc/18/90/51/298189051.db2.gz CGBAFJIKMWKOBI-SYQHCUMBSA-N 0 3 341.477 1.664 20 70 EDIDHN CCN1CCN(c2ccc(CN[C@H](C)c3cnn(C)c3)cn2)CC1 ZINC000159502700 441818646 /nfs/dbraw/zinc/81/86/46/441818646.db2.gz GMGMVNBARIKWML-OAHLLOKOSA-N 0 3 328.464 1.808 20 70 EDIDHN NC(=O)[C@H]1CCCN1C1CCN(CC[S@@](=O)c2ccccc2)CC1 ZINC000159366671 441806897 /nfs/dbraw/zinc/80/68/97/441806897.db2.gz JXNFERZFSJVFLE-OSPHWJPCSA-N 0 3 349.500 1.208 20 70 EDIDHN CCC(=O)N[C@H](C(=O)NC[C@H](O)CN1CCCCC1)c1ccccc1 ZINC000160141519 441861011 /nfs/dbraw/zinc/86/10/11/441861011.db2.gz GHLXVTWLFRQQTC-WMZOPIPTSA-N 0 3 347.459 1.217 20 70 EDIDHN Cc1[nH]ncc1CN1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000160626177 441903660 /nfs/dbraw/zinc/90/36/60/441903660.db2.gz MAOHTLOSSPVPJQ-UHFFFAOYSA-N 0 3 332.379 1.580 20 70 EDIDHN CN(C[C@H]1CCCN(C)C1)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000160879476 441931326 /nfs/dbraw/zinc/93/13/26/441931326.db2.gz DDQXCQDFFJSYIX-NSHDSACASA-N 0 3 347.385 1.922 20 70 EDIDHN COCCN1CCC[C@H]1CNC(=O)NCC1(CCOC)CCC1 ZINC000161097801 441956859 /nfs/dbraw/zinc/95/68/59/441956859.db2.gz KHNGNBQAZHLASL-HNNXBMFYSA-N 0 3 327.469 1.603 20 70 EDIDHN CC(C)[C@@H](C(=O)NC[C@H](C)N(C)C1CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000216729837 485631395 /nfs/dbraw/zinc/63/13/95/485631395.db2.gz JMDQQYNATSRUGY-MPTYRVRUSA-N 0 3 325.497 1.719 20 70 EDIDHN CCN1CCCN(C(=O)NCc2cc(=O)[nH]c3ccccc23)CC1 ZINC000159962543 529027704 /nfs/dbraw/zinc/02/77/04/529027704.db2.gz HVFRWKLKXGBNRM-UHFFFAOYSA-N 0 3 328.416 1.765 20 70 EDIDHN C[C@H](NC(=O)C1CCCCC1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160416295 272929601 /nfs/dbraw/zinc/92/96/01/272929601.db2.gz NTXRVSZNJVKLLZ-GOEBONIOSA-N 0 3 339.480 1.034 20 70 EDIDHN Cc1cc(C)c(C)c(S(=O)(=O)NC[C@@](C)(O)CN(C)C)c1C ZINC000161449411 301177546 /nfs/dbraw/zinc/17/75/46/301177546.db2.gz CBFDISXMVWCPEE-MRXNPFEDSA-N 0 3 328.478 1.511 20 70 EDIDHN COc1ccccc1SCC(=O)NCC1CCN(CCO)CC1 ZINC000160006750 302919512 /nfs/dbraw/zinc/91/95/12/302919512.db2.gz ZDRDSNQFTSGIRX-UHFFFAOYSA-N 0 3 338.473 1.608 20 70 EDIDHN CCOC(=O)N1CCC(NC(=O)N2CCCN(CC)CC2)CC1 ZINC000159506489 441818107 /nfs/dbraw/zinc/81/81/07/441818107.db2.gz PEVVJXDQJGTUHC-UHFFFAOYSA-N 0 3 326.441 1.345 20 70 EDIDHN CCc1c(C(=O)NCC(C)(C)N2CCCCC2)[nH]c(C)c1C(N)=O ZINC000159536121 441819278 /nfs/dbraw/zinc/81/92/78/441819278.db2.gz AFGZKTJGUZVNQV-UHFFFAOYSA-N 0 3 334.464 1.979 20 70 EDIDHN Cc1nnc(-c2cccc(C(=O)NC[C@H](O)CN3CCCCC3)c2)o1 ZINC000160205826 441865001 /nfs/dbraw/zinc/86/50/01/441865001.db2.gz NCGMDXKSEVZREW-INIZCTEOSA-N 0 3 344.415 1.622 20 70 EDIDHN CSC[C@H](CCO)N[C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000160264581 441869501 /nfs/dbraw/zinc/86/95/01/441869501.db2.gz QEQFBFSAIHWBPD-FZMZJTMJSA-N 0 3 332.491 1.823 20 70 EDIDHN C[C@H]1C[C@@H](NC(=O)N2CCNC(=O)CC2)CN1Cc1ccccc1 ZINC000160263891 441869778 /nfs/dbraw/zinc/86/97/78/441869778.db2.gz SOSZAJSHOYAURI-GOEBONIOSA-N 0 3 330.432 1.181 20 70 EDIDHN CCN1CCCN(C(=O)NCCc2ccc(NC(C)=O)cc2)CC1 ZINC000159819615 441840002 /nfs/dbraw/zinc/84/00/02/441840002.db2.gz WHDJPBHXOAFCMM-UHFFFAOYSA-N 0 3 332.448 1.925 20 70 EDIDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(CCO)CC1CC1 ZINC000159922870 441848049 /nfs/dbraw/zinc/84/80/49/441848049.db2.gz QAUBAGLAKUCUBL-YJBOKZPZSA-N 0 3 331.460 1.921 20 70 EDIDHN CO[C@H](C)c1nc(C)c(C(=O)NC[C@@H](O)CN2CCCCC2)s1 ZINC000159954562 441849345 /nfs/dbraw/zinc/84/93/45/441849345.db2.gz LHZXLCNWKDYKNN-CHWSQXEVSA-N 0 3 341.477 1.736 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000159970976 441851725 /nfs/dbraw/zinc/85/17/25/441851725.db2.gz WETNVKKXWIDZFG-UKRRQHHQSA-N 0 3 331.416 1.075 20 70 EDIDHN O=C(Cc1ccc2c(c1)CCCC2)NCC1CCN(CCO)CC1 ZINC000160678332 441908294 /nfs/dbraw/zinc/90/82/94/441908294.db2.gz OAIQXJXDZUFSKY-UHFFFAOYSA-N 0 3 330.472 1.928 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(Br)o1 ZINC000160406094 441878846 /nfs/dbraw/zinc/87/88/46/441878846.db2.gz NMIDHAVGHAJGGG-JTQLQIEISA-N 0 3 331.210 1.619 20 70 EDIDHN C[C@H]1C[C@@H](NC(=O)NC[C@]2(O)CCSC2)CN1Cc1ccccc1 ZINC000160409870 441879641 /nfs/dbraw/zinc/87/96/41/441879641.db2.gz ZBHXUCIYSPFGTQ-YXJHDRRASA-N 0 3 349.500 1.817 20 70 EDIDHN Cc1nn(C)c2nc(C)cc(C(=O)NC[C@@H](O)CN3CCCCC3)c12 ZINC000160428585 441881448 /nfs/dbraw/zinc/88/14/48/441881448.db2.gz LPAPCZAJGGFOHP-CQSZACIVSA-N 0 3 345.447 1.162 20 70 EDIDHN O=C(NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCCCN1 ZINC000160432117 441881788 /nfs/dbraw/zinc/88/17/88/441881788.db2.gz DKLLHZCUQUATIV-QWHCGFSZSA-N 0 3 340.807 1.403 20 70 EDIDHN CNS(=O)(=O)c1ccc([C@@H](C)N[C@H]2CCc3nc(C)nn3C2)cc1 ZINC000160555348 441896729 /nfs/dbraw/zinc/89/67/29/441896729.db2.gz NVSSKMCVBXBCDK-RISCZKNCSA-N 0 3 349.460 1.160 20 70 EDIDHN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)C[C@@H]2CNCCO2)cc1 ZINC000161252425 441977443 /nfs/dbraw/zinc/97/74/43/441977443.db2.gz VOJUMTPOPOZKDP-RBUKOAKNSA-N 0 3 346.471 1.924 20 70 EDIDHN Cc1ccccc1CN1CCC(NC(=O)C2(NC(N)=O)CC2)CC1 ZINC000160869930 441929936 /nfs/dbraw/zinc/92/99/36/441929936.db2.gz QXCLVNKEELYUJC-UHFFFAOYSA-N 0 3 330.432 1.277 20 70 EDIDHN CCC(=O)N1CC[C@H](C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC000161033959 441948649 /nfs/dbraw/zinc/94/86/49/441948649.db2.gz MOOIWLKDAQYSGP-DLBZAZTESA-N 0 3 331.460 1.972 20 70 EDIDHN NC(=O)c1cccc(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)c1 ZINC000159562471 318419084 /nfs/dbraw/zinc/41/90/84/318419084.db2.gz UBVNUQQYVRQAOO-QGZVFWFLSA-N 0 3 345.443 1.503 20 70 EDIDHN NC1(C(=O)Nc2cc(C3CCOCC3)[nH]n2)Cc2ccccc2C1 ZINC000161329853 486643986 /nfs/dbraw/zinc/64/39/86/486643986.db2.gz NDGAEXMUNAPUOP-UHFFFAOYSA-N 0 3 326.400 1.739 20 70 EDIDHN Cc1conc1NC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000159942720 534754829 /nfs/dbraw/zinc/75/48/29/534754829.db2.gz KYOQMUGYLGBMTG-UHFFFAOYSA-N 0 3 342.399 1.702 20 70 EDIDHN CC[C@@H](C(=O)N1CCN(Cc2cn3ccccc3n2)CC1)N(C)C ZINC000160030230 529277784 /nfs/dbraw/zinc/27/77/84/529277784.db2.gz XFUCFZAKLPVODH-INIZCTEOSA-N 0 3 329.448 1.319 20 70 EDIDHN Cc1csc2nc(CN3CCN(c4ccncc4)CC3)cc(=O)n12 ZINC000161345301 540033419 /nfs/dbraw/zinc/03/34/19/540033419.db2.gz NMYOEKHMRUINTJ-UHFFFAOYSA-N 0 3 341.440 1.782 20 70 EDIDHN CN(C)[C@H](CNC(=O)CN(C)C[C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000159533137 225234135 /nfs/dbraw/zinc/23/41/35/225234135.db2.gz ZEEFXTRYFFPNNX-KSZLIROESA-N 0 3 333.476 1.498 20 70 EDIDHN Cc1ccc(NC(=O)C(=O)NCc2ccc(CN(C)C)cc2)cn1 ZINC000159854297 225289861 /nfs/dbraw/zinc/28/98/61/225289861.db2.gz QFSSMPZCFDJAIN-UHFFFAOYSA-N 0 3 326.400 1.707 20 70 EDIDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@H](CO)C1 ZINC000159946265 225309157 /nfs/dbraw/zinc/30/91/57/225309157.db2.gz SHTKZSMLDCMRMT-NJAFHUGGSA-N 0 3 331.460 1.921 20 70 EDIDHN CC(=O)N1CSC[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000161504104 277013843 /nfs/dbraw/zinc/01/38/43/277013843.db2.gz QIVWFFXORXVGPX-OAHLLOKOSA-N 0 3 339.461 1.400 20 70 EDIDHN CC[C@H](C(=O)N1CCCN(C(=O)c2ccc(OC)cc2)CC1)N(C)C ZINC000161336594 280664379 /nfs/dbraw/zinc/66/43/79/280664379.db2.gz MSKXIOUVSSLUHO-QGZVFWFLSA-N 0 3 347.459 1.710 20 70 EDIDHN COC(=O)c1cccc(CN2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 ZINC000159403609 441809884 /nfs/dbraw/zinc/80/98/84/441809884.db2.gz PRALWWXKZFCICZ-KRWDZBQOSA-N 0 3 345.443 1.387 20 70 EDIDHN COc1cccc(Cl)c1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160263365 441869333 /nfs/dbraw/zinc/86/93/33/441869333.db2.gz ORNOEJKUHMXUJQ-GFCCVEGCSA-N 0 3 326.824 1.925 20 70 EDIDHN COCCCOC1CCN(C(=O)C2(N)Cc3ccccc3C2)CC1 ZINC000159790479 441838329 /nfs/dbraw/zinc/83/83/29/441838329.db2.gz IXCSNSZSLOLNHP-UHFFFAOYSA-N 0 3 332.444 1.527 20 70 EDIDHN COc1cc(C2(C(=O)NC[C@@H](O)CN3CCCCC3)CC2)ccc1C ZINC000159967286 441851778 /nfs/dbraw/zinc/85/17/78/441851778.db2.gz ISJQSWFYNAEQNQ-QGZVFWFLSA-N 0 3 346.471 1.998 20 70 EDIDHN COc1ccc2nc(C(=O)NC[C@@H](O)CN3CCCCC3)ccc2c1 ZINC000160402966 441878040 /nfs/dbraw/zinc/87/80/40/441878040.db2.gz GYZWKMYKQBNUGR-OAHLLOKOSA-N 0 3 343.427 1.820 20 70 EDIDHN CC(C(=O)N(C)Cc1ccccc1)S(=O)(=O)Cc1nccn1C ZINC000161191269 441969934 /nfs/dbraw/zinc/96/99/34/441969934.db2.gz ZKEWELUBAYBPBC-ZDUSSCGKSA-N 0 3 335.429 1.382 20 70 EDIDHN CSCC[C@@H](N)C(=O)NC[C@H](O)c1ccc(OC(C)C)cc1 ZINC000160977675 441943004 /nfs/dbraw/zinc/94/30/04/441943004.db2.gz LMVNWGRCQHOTNW-CABCVRRESA-N 0 3 326.462 1.704 20 70 EDIDHN C[C@@]1(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CCC[NH2+]C1 ZINC000161425100 441997841 /nfs/dbraw/zinc/99/78/41/441997841.db2.gz KHRQNXJIHKHTCY-GOSISDBHSA-N 0 3 331.416 1.066 20 70 EDIDHN C[NH+](C)C[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000161448326 442001018 /nfs/dbraw/zinc/00/10/18/442001018.db2.gz CNHQSZOQBQWXGG-LBPRGKRZSA-N 0 3 341.260 1.584 20 70 EDIDHN C[C@H](O)CN1CCC(CN(C)S(=O)(=O)c2cccs2)CC1 ZINC000161456531 442001528 /nfs/dbraw/zinc/00/15/28/442001528.db2.gz OIZJVOSUCUKWHR-LBPRGKRZSA-N 0 3 332.491 1.461 20 70 EDIDHN CC(C)N(CCN(C)C)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000159709737 540012968 /nfs/dbraw/zinc/01/29/68/540012968.db2.gz ZHDQSZVJYHSTCM-INIZCTEOSA-N 0 3 338.496 1.759 20 70 EDIDHN O=C(NCc1ccccc1CN1CCCCC1)[C@H]1CCNC(=O)C1 ZINC000159854219 138638622 /nfs/dbraw/zinc/63/86/22/138638622.db2.gz ZUSFOOVTWQIOPI-HNNXBMFYSA-N 0 3 329.444 1.815 20 70 EDIDHN COCCN1CCC(NC(=O)c2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000160301370 225382537 /nfs/dbraw/zinc/38/25/37/225382537.db2.gz VBWVEZMFJKUROT-UHFFFAOYSA-N 0 3 345.443 1.436 20 70 EDIDHN Cc1noc2nc(C)cc(C(=O)NCC3CCN(CCO)CC3)c12 ZINC000160549211 225433069 /nfs/dbraw/zinc/43/30/69/225433069.db2.gz LLYMWYSTKLPGJF-UHFFFAOYSA-N 0 3 332.404 1.274 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1csc(-c2ccoc2)n1 ZINC000160440007 272929628 /nfs/dbraw/zinc/92/96/28/272929628.db2.gz JAHMATQTQKCXAR-ZDUSSCGKSA-N 0 3 335.429 1.980 20 70 EDIDHN CC(C)OC(=O)CCCNC(=O)NC1CCN(CCN(C)C)CC1 ZINC000159542342 441820413 /nfs/dbraw/zinc/82/04/13/441820413.db2.gz CDURUCZOGBRFOY-UHFFFAOYSA-N 0 3 342.484 1.043 20 70 EDIDHN CCC(CC)(CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)C(=O)OC ZINC000160007333 441853864 /nfs/dbraw/zinc/85/38/64/441853864.db2.gz XMVRVVAEDYVJPO-CHWSQXEVSA-N 0 3 325.453 1.890 20 70 EDIDHN Cn1cnc(-c2ccc(NC(=O)NC[C@@H]3CCCN(C)C3)cc2)n1 ZINC000160736852 441914635 /nfs/dbraw/zinc/91/46/35/441914635.db2.gz CTEDBUCLPJSGSH-ZDUSSCGKSA-N 0 3 328.420 1.945 20 70 EDIDHN Cn1nccc1/C=C/C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000160764509 441918324 /nfs/dbraw/zinc/91/83/24/441918324.db2.gz NDKYRGSEVKNTJE-HNGSOEQISA-N 0 3 340.427 1.185 20 70 EDIDHN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H](N)CC(C)C)CC2 ZINC000160886708 441932327 /nfs/dbraw/zinc/93/23/27/441932327.db2.gz PVPDXWFRRFXUSU-AWEZNQCLSA-N 0 3 339.461 1.247 20 70 EDIDHN CC(C)[C@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)C(N)=O ZINC000161125638 441960350 /nfs/dbraw/zinc/96/03/50/441960350.db2.gz ZUAVCUAUETUNNO-INIZCTEOSA-N 0 3 332.448 1.460 20 70 EDIDHN CN(C)C[C@](C)(O)CNS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000161423979 441998171 /nfs/dbraw/zinc/99/81/71/441998171.db2.gz RWIAFWVUDYHHEC-GOSISDBHSA-N 0 3 348.468 1.945 20 70 EDIDHN CC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@](C)(O)CN(C)C)c1 ZINC000161510854 442007180 /nfs/dbraw/zinc/00/71/80/442007180.db2.gz RTONZSZEESZIIX-AWEZNQCLSA-N 0 3 348.852 1.134 20 70 EDIDHN CC(C)n1nccc1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000160371895 528672761 /nfs/dbraw/zinc/67/27/61/528672761.db2.gz DDIPCPVBDKGSTP-HNNXBMFYSA-N 0 3 335.452 1.137 20 70 EDIDHN C[C@H](CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccncc1 ZINC000159990731 539483249 /nfs/dbraw/zinc/48/32/49/539483249.db2.gz IFWNPXIDXIRSCO-MRXNPFEDSA-N 0 3 344.459 1.342 20 70 EDIDHN CCN(C(=O)C(C)S(=O)(=O)Cc1nccn1C)C1CCCCC1 ZINC000161200659 284199657 /nfs/dbraw/zinc/19/96/57/284199657.db2.gz DCASRNFPLWWSEQ-CYBMUJFWSA-N 0 3 341.477 1.905 20 70 EDIDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(CO)CC1 ZINC000159987346 225314470 /nfs/dbraw/zinc/31/44/70/225314470.db2.gz UVIQLPLHFIYJDH-QAPCUYQASA-N 0 3 331.460 1.921 20 70 EDIDHN Cc1onc(-c2ccncc2)c1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160282604 225380386 /nfs/dbraw/zinc/38/03/86/225380386.db2.gz DAEXPKXRCFOKSZ-OAHLLOKOSA-N 0 3 344.415 1.622 20 70 EDIDHN Cc1cccc2c(CC(=O)NC[C@H](O)CN3CCCCC3)c[nH]c21 ZINC000160368671 225398378 /nfs/dbraw/zinc/39/83/78/225398378.db2.gz XOVDRQIXDCHYLA-INIZCTEOSA-N 0 3 329.444 1.982 20 70 EDIDHN Cc1nnc(-c2ccc(C(=O)NC[C@@H](O)CN3CCCCC3)cc2)o1 ZINC000160180212 225354795 /nfs/dbraw/zinc/35/47/95/225354795.db2.gz KZJJINLOVZRZFX-MRXNPFEDSA-N 0 3 344.415 1.622 20 70 EDIDHN CN(C)CCN1CCC(NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000159544548 441820338 /nfs/dbraw/zinc/82/03/38/441820338.db2.gz NMCMOTUYDPMWHJ-DLBZAZTESA-N 0 3 338.496 1.269 20 70 EDIDHN CN(C)CCN1CCN(C(=O)CCc2nnc(C3CCCC3)o2)CC1 ZINC000159567223 441820649 /nfs/dbraw/zinc/82/06/49/441820649.db2.gz ORBXTAXQVXOZJJ-UHFFFAOYSA-N 0 3 349.479 1.366 20 70 EDIDHN CCN(CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)NC(N)=O ZINC000160082054 441857251 /nfs/dbraw/zinc/85/72/51/441857251.db2.gz CHEABVHFVQOROP-CYBMUJFWSA-N 0 3 333.436 1.203 20 70 EDIDHN O=C(C[C@H]1COC(=O)C1)NC1CCN(CCc2ccncc2)CC1 ZINC000159779699 441836534 /nfs/dbraw/zinc/83/65/34/441836534.db2.gz LDIOZTGCWDLXEJ-OAHLLOKOSA-N 0 3 331.416 1.158 20 70 EDIDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCN(C2CC2)CC1 ZINC000160020261 441853802 /nfs/dbraw/zinc/85/38/02/441853802.db2.gz OGWDQVXMUFUGMD-APWZRJJASA-N 0 3 342.487 1.997 20 70 EDIDHN COc1cccc(COCCNC(=O)N2CC[C@H](N3CC=CC3)C2)c1 ZINC000160598785 441901165 /nfs/dbraw/zinc/90/11/65/441901165.db2.gz DLJSTQWUVAIZLA-KRWDZBQOSA-N 0 3 345.443 1.868 20 70 EDIDHN Cn1nccc1/C=C/C(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000160764150 441918291 /nfs/dbraw/zinc/91/82/91/441918291.db2.gz NDKYRGSEVKNTJE-VUOWKATKSA-N 0 3 340.427 1.185 20 70 EDIDHN CN(C)[C@@H]1CCCN(C(=O)NCc2cn(C)nc2C(F)(F)F)C1 ZINC000160813923 441924365 /nfs/dbraw/zinc/92/43/65/441924365.db2.gz SYZHWBCDKQPHKX-LLVKDONJSA-N 0 3 333.358 1.675 20 70 EDIDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160394458 441876810 /nfs/dbraw/zinc/87/68/10/441876810.db2.gz GNIWMLRFICGCBF-ULQDDVLXSA-N 0 3 339.480 1.696 20 70 EDIDHN CC(C)[C@H](C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)N(C)C ZINC000160494015 441888178 /nfs/dbraw/zinc/88/81/78/441888178.db2.gz QXQLCTCGSPOPFD-RCCFBDPRSA-N 0 3 333.476 1.324 20 70 EDIDHN Cc1ccc(S(N)(=O)=O)c(C(=O)NCCN2CCC[C@@H](C)C2)c1 ZINC000160498766 441889373 /nfs/dbraw/zinc/88/93/73/441889373.db2.gz CNIVABQWIPRHHI-CYBMUJFWSA-N 0 3 339.461 1.104 20 70 EDIDHN O=C(NCC1CCN(CCO)CC1)[C@H]1SCCc2ccccc21 ZINC000160558487 441896433 /nfs/dbraw/zinc/89/64/33/441896433.db2.gz FINQTBDNGZFFQO-KRWDZBQOSA-N 0 3 334.485 1.838 20 70 EDIDHN C[C@@H](N[C@@H](C)C(=O)NC(=O)NC1CC1)c1ccccc1-n1cccn1 ZINC000160872074 441930133 /nfs/dbraw/zinc/93/01/33/441930133.db2.gz ZBSIWCRAHQHLBV-OLZOCXBDSA-N 0 3 341.415 1.900 20 70 EDIDHN Cc1ccc2c(c1)[C@@H](NCc1ccc(C(=O)NCC(N)=O)cc1)CC2 ZINC000161009854 441946592 /nfs/dbraw/zinc/94/65/92/441946592.db2.gz RQVUTLXTKOKDLT-SFHVURJKSA-N 0 3 337.423 1.987 20 70 EDIDHN CN(C)CCn1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@H]2O)n1 ZINC000161088507 441955180 /nfs/dbraw/zinc/95/51/80/441955180.db2.gz INABJHUVCBTTAW-GDBMZVCRSA-N 0 3 329.404 1.225 20 70 EDIDHN CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000161095661 441956670 /nfs/dbraw/zinc/95/66/70/441956670.db2.gz KWGXIQFTLAJHRR-INIZCTEOSA-N 0 3 345.443 1.551 20 70 EDIDHN CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000161095661 441956674 /nfs/dbraw/zinc/95/66/74/441956674.db2.gz KWGXIQFTLAJHRR-INIZCTEOSA-N 0 3 345.443 1.551 20 70 EDIDHN COCCN(CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 ZINC000161393604 441994692 /nfs/dbraw/zinc/99/46/92/441994692.db2.gz KECOMHZYTDVKDI-HNNXBMFYSA-N 0 3 329.466 1.107 20 70 EDIDHN Cc1ccc(C)c(S(=O)(=O)NCC2CCN(CCO)CC2)c1 ZINC000161415800 441996820 /nfs/dbraw/zinc/99/68/20/441996820.db2.gz VZPRSTVSSJBLIW-UHFFFAOYSA-N 0 3 326.462 1.286 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(N2CCCC2)nc1 ZINC000159957642 534538545 /nfs/dbraw/zinc/53/85/45/534538545.db2.gz ZREFDYNYTOYUDS-MRXNPFEDSA-N 0 3 332.448 1.258 20 70 EDIDHN CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159878559 528167206 /nfs/dbraw/zinc/16/72/06/528167206.db2.gz HATOFCJDKLQWPA-NWDGAFQWSA-N 0 3 330.392 1.152 20 70 EDIDHN CC(C)N(CCN(C)C)C(=O)NCCn1c2ccccc2[nH]c1=O ZINC000159492889 528895190 /nfs/dbraw/zinc/89/51/90/528895190.db2.gz RTFCMZUKTZQBHT-UHFFFAOYSA-N 0 3 333.436 1.311 20 70 EDIDHN CCN1CCCN(C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000159998767 540017970 /nfs/dbraw/zinc/01/79/70/540017970.db2.gz SIIRVFYXXSVMJL-INIZCTEOSA-N 0 3 336.480 1.515 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(C(F)(F)F)nc1 ZINC000159925648 225304178 /nfs/dbraw/zinc/30/41/78/225304178.db2.gz XNFJCKCQUPRREF-LBPRGKRZSA-N 0 3 331.338 1.677 20 70 EDIDHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)C1 ZINC000159604984 225248292 /nfs/dbraw/zinc/24/82/92/225248292.db2.gz AXHITWNGCOLFIQ-CHWSQXEVSA-N 0 3 337.855 1.659 20 70 EDIDHN C[C@H]1C[C@H](NC(=O)N2CCNC(=O)[C@@H]2C)CN1Cc1ccccc1 ZINC000160087751 225334689 /nfs/dbraw/zinc/33/46/89/225334689.db2.gz MQCOCWYLRADTLR-DZKIICNBSA-N 0 3 330.432 1.179 20 70 EDIDHN COC(=O)c1cccc(CN2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000159403468 441810459 /nfs/dbraw/zinc/81/04/59/441810459.db2.gz PRALWWXKZFCICZ-QGZVFWFLSA-N 0 3 345.443 1.387 20 70 EDIDHN CC(C)OC(=O)CCCNC(=O)N1CCN(C2CCCC2)CC1 ZINC000160112686 441860235 /nfs/dbraw/zinc/86/02/35/441860235.db2.gz ZKNFGYWXMYQAOO-UHFFFAOYSA-N 0 3 325.453 1.988 20 70 EDIDHN Cc1conc1NC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000160660060 441906776 /nfs/dbraw/zinc/90/67/76/441906776.db2.gz QVAQEXVEFVPMNL-CQSZACIVSA-N 0 3 330.388 1.211 20 70 EDIDHN CC(=O)c1cccc(O[C@@H](C)C(=O)NCC2CCN(CCO)CC2)c1 ZINC000160669591 441906882 /nfs/dbraw/zinc/90/68/82/441906882.db2.gz GJBYYQVGDDCIPI-HNNXBMFYSA-N 0 3 348.443 1.477 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1cnc(-c2ncccn2)s1 ZINC000160418204 441880568 /nfs/dbraw/zinc/88/05/68/441880568.db2.gz LVBVGAOHABNPNC-LBPRGKRZSA-N 0 3 347.444 1.177 20 70 EDIDHN CCc1n[nH]c(=O)c(CNC(=O)N(C)C[C@@H]2CCCN(C)C2)c1CC ZINC000160432316 441881803 /nfs/dbraw/zinc/88/18/03/441881803.db2.gz FJICZLOSSVJBLQ-CYBMUJFWSA-N 0 3 349.479 1.378 20 70 EDIDHN CCOC(=O)N1CCC(NC(=O)CN2CC[C@@H]3CCCC[C@@H]32)CC1 ZINC000160539131 441893866 /nfs/dbraw/zinc/89/38/66/441893866.db2.gz VWVKGOPVRNJVRU-HOCLYGCPSA-N 0 3 337.464 1.988 20 70 EDIDHN C[C@@]1(C(=O)NC[C@H](O)CN2CCCCC2)Cc2ccccc2C(=O)O1 ZINC000160593640 441899420 /nfs/dbraw/zinc/89/94/20/441899420.db2.gz KNDQVETXFPTISS-KXBFYZLASA-N 0 3 346.427 1.121 20 70 EDIDHN CC(C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)S(=O)(=O)Cc1nccn1C ZINC000161195276 441970312 /nfs/dbraw/zinc/97/03/12/441970312.db2.gz CGBAFJIKMWKOBI-REWJHTLYSA-N 0 3 341.477 1.664 20 70 EDIDHN CC(C)c1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)cc1 ZINC000161384984 441993554 /nfs/dbraw/zinc/99/35/54/441993554.db2.gz CJPDDDSFFHXCEH-UHFFFAOYSA-N 0 3 340.489 1.793 20 70 EDIDHN Cc1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)c(F)c1 ZINC000161409516 441996165 /nfs/dbraw/zinc/99/61/65/441996165.db2.gz KWHDENCHOBYNIJ-UHFFFAOYSA-N 0 3 330.425 1.117 20 70 EDIDHN CSCC[C@@H](N)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000161461070 442001554 /nfs/dbraw/zinc/00/15/54/442001554.db2.gz XSWZDKCWLYLILH-OLZOCXBDSA-N 0 3 341.864 1.642 20 70 EDIDHN Cc1c(C(=O)NC[C@@H](O)CN2CCCCC2)cnn1-c1ccccc1 ZINC000159949282 533787473 /nfs/dbraw/zinc/78/74/73/533787473.db2.gz ICUCYFKRXYVGHU-QGZVFWFLSA-N 0 3 342.443 1.757 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)[C@H]1CC(=O)Nc2ccccc21 ZINC000159971118 534539080 /nfs/dbraw/zinc/53/90/80/534539080.db2.gz WETNVKKXWIDZFG-HIFRSBDPSA-N 0 3 331.416 1.075 20 70 EDIDHN CCN1CCN(CCC(=O)NC[C@@H](C[C@@H](C)O)c2ccccc2)CC1 ZINC000159691107 529140979 /nfs/dbraw/zinc/14/09/79/529140979.db2.gz NWJXTXGPZKOQFW-IEBWSBKVSA-N 0 3 347.503 1.685 20 70 EDIDHN O=C(N1CCNCC1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000159420148 225213289 /nfs/dbraw/zinc/21/32/89/225213289.db2.gz VAEFAHXQYDQBOC-MRXNPFEDSA-N 0 3 341.377 1.873 20 70 EDIDHN O=C(CCn1cnc2ccccc21)NC[C@H](O)CN1CCCCC1 ZINC000160379971 225399441 /nfs/dbraw/zinc/39/94/41/225399441.db2.gz WCZGKKZKLNTTCQ-HNNXBMFYSA-N 0 3 330.432 1.389 20 70 EDIDHN C[C@@H](CC(=O)NC[C@H](O)CN1CCCCC1)NC(=O)C1CCCC1 ZINC000160323643 267502164 /nfs/dbraw/zinc/50/21/64/267502164.db2.gz MRWNFHUJHWNBAU-HOCLYGCPSA-N 0 3 339.480 1.034 20 70 EDIDHN CCN1CCCN(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000159908043 441846157 /nfs/dbraw/zinc/84/61/57/441846157.db2.gz PFHAAVWSQNXKMZ-OAHLLOKOSA-N 0 3 334.468 1.126 20 70 EDIDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)CNC(=O)CC1CCCC1 ZINC000160743928 441915979 /nfs/dbraw/zinc/91/59/79/441915979.db2.gz QDMLIINHUGNLCM-SFHVURJKSA-N 0 3 345.487 1.972 20 70 EDIDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160394582 441876601 /nfs/dbraw/zinc/87/66/01/441876601.db2.gz GNIWMLRFICGCBF-BBWFWOEESA-N 0 3 339.480 1.696 20 70 EDIDHN Cc1c(C(=O)NC[C@H](O)CN2CCCCC2)cnn1-c1ccccn1 ZINC000160567870 441897307 /nfs/dbraw/zinc/89/73/07/441897307.db2.gz NPHPEWFFVHZBHE-HNNXBMFYSA-N 0 3 343.431 1.152 20 70 EDIDHN O=C(NCC1CCN(CCO)CC1)c1ccn(-c2ccccc2F)n1 ZINC000160571893 441898009 /nfs/dbraw/zinc/89/80/09/441898009.db2.gz MTBGTIDWOMBXOI-UHFFFAOYSA-N 0 3 346.406 1.446 20 70 EDIDHN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H](N)C(C)(C)C)CC2 ZINC000160885518 441932427 /nfs/dbraw/zinc/93/24/27/441932427.db2.gz QJYMFPJUKINFAF-CQSZACIVSA-N 0 3 339.461 1.247 20 70 EDIDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000160896732 441933361 /nfs/dbraw/zinc/93/33/61/441933361.db2.gz FEZJQBRKQRWQFY-JQWIXIFHSA-N 0 3 347.385 1.921 20 70 EDIDHN CCN(C(=O)NCc1ncn(C)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000161070098 441952736 /nfs/dbraw/zinc/95/27/36/441952736.db2.gz LFRLBBPUUIBZNF-MRXNPFEDSA-N 0 3 342.447 1.621 20 70 EDIDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cccc(=O)n1C ZINC000161504625 442006066 /nfs/dbraw/zinc/00/60/66/442006066.db2.gz VLXTVFPSQXKYRT-UHFFFAOYSA-N 0 3 349.381 1.868 20 70 EDIDHN C[C@H](CN1CCOCC1)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000160314064 318421800 /nfs/dbraw/zinc/42/18/00/318421800.db2.gz CJIMPDASZSDNHV-OAHLLOKOSA-N 0 3 326.485 1.223 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)[C@@H]1CC(c2ccccc2)=NO1 ZINC000160122813 534537858 /nfs/dbraw/zinc/53/78/58/534537858.db2.gz UEBPEZVOXXTBKF-WBVHZDCISA-N 0 3 331.416 1.143 20 70 EDIDHN O=C(Cc1cc(F)c(F)cc1F)NC[C@H](O)CN1CCCCC1 ZINC000160282719 534697616 /nfs/dbraw/zinc/69/76/16/534697616.db2.gz GWXNWLMIKWVDPT-LBPRGKRZSA-N 0 3 330.350 1.609 20 70 EDIDHN CN1CCC[C@@H]1C(=O)N1CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000160001402 530055972 /nfs/dbraw/zinc/05/59/72/530055972.db2.gz SHHXYRGNUVPACR-GFCCVEGCSA-N 0 3 337.493 1.578 20 70 EDIDHN CN(C)CCOc1ccc(NC(=O)C(=O)N2CCC3(CCC3)C2)cc1 ZINC000159452157 225220716 /nfs/dbraw/zinc/22/07/16/225220716.db2.gz WQJPZYJKXVOBNW-UHFFFAOYSA-N 0 3 345.443 1.968 20 70 EDIDHN CCn1nnnc1-c1cccc(NC(=O)CNC[C@H]2CCCO2)c1 ZINC000159584539 225245358 /nfs/dbraw/zinc/24/53/58/225245358.db2.gz VKTJBPWPROHGNQ-CQSZACIVSA-N 0 3 330.392 1.067 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(-n2cccn2)cc1 ZINC000160306240 225384504 /nfs/dbraw/zinc/38/45/04/225384504.db2.gz DRKVKCYKHSQLPX-KRWDZBQOSA-N 0 3 328.416 1.449 20 70 EDIDHN CCN1CCCN(C(=O)NCc2cccc(OCCOC)c2)CC1 ZINC000159643153 441825835 /nfs/dbraw/zinc/82/58/35/441825835.db2.gz KEBWNZNINXNHKR-UHFFFAOYSA-N 0 3 335.448 1.949 20 70 EDIDHN CN1CCN([C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3)c2ccccc2)CC1 ZINC000159637876 441826301 /nfs/dbraw/zinc/82/63/01/441826301.db2.gz MXHIATAUIZRPNH-CEXWTWQISA-N 0 3 342.487 1.328 20 70 EDIDHN CCC[C@@H]1CN(C(=O)NCCCCN2CCN(C)CC2)CCO1 ZINC000159713216 441831982 /nfs/dbraw/zinc/83/19/82/441831982.db2.gz NFSXPLOWOXAQJC-MRXNPFEDSA-N 0 3 326.485 1.225 20 70 EDIDHN CCN1CCCN(C(=O)NCCCc2nnc3ccccn32)CC1 ZINC000159948522 441848940 /nfs/dbraw/zinc/84/89/40/441848940.db2.gz GHHDSJUQLREOIE-UHFFFAOYSA-N 0 3 330.436 1.399 20 70 EDIDHN Cc1c(CNC(=O)NCc2ccccc2OCCN(C)C)cnn1C ZINC000160771538 441919213 /nfs/dbraw/zinc/91/92/13/441919213.db2.gz FPDUMUXIYUKHFW-UHFFFAOYSA-N 0 3 345.447 1.668 20 70 EDIDHN Cc1cccc2[nH]c(CCC(=O)NC[C@@H](O)CN3CCCCC3)nc21 ZINC000160507762 441891911 /nfs/dbraw/zinc/89/19/11/441891911.db2.gz BLIZFBXNUBGAIY-OAHLLOKOSA-N 0 3 344.459 1.767 20 70 EDIDHN COc1cc(C)ccc1OCC(=O)NC[C@H](O)CN1CCCCC1 ZINC000160552474 441896338 /nfs/dbraw/zinc/89/63/38/441896338.db2.gz CIQAMLZCVZYTHA-HNNXBMFYSA-N 0 3 336.432 1.345 20 70 EDIDHN C[C@@H](Cn1cc(Br)cn1)NCC(=O)NCC(F)(F)F ZINC000160570722 441897767 /nfs/dbraw/zinc/89/77/67/441897767.db2.gz LCWRNETZODLKPE-ZETCQYMHSA-N 0 3 343.147 1.302 20 70 EDIDHN C[C@@H](CSC(C)(C)C)NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160990786 441943985 /nfs/dbraw/zinc/94/39/85/441943985.db2.gz PRHASYNOQFIBOQ-LBPRGKRZSA-N 0 3 337.489 1.912 20 70 EDIDHN Cc1c(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cccc1N1CCNC1=O ZINC000161329986 441986231 /nfs/dbraw/zinc/98/62/31/441986231.db2.gz BJQRJHWVMXNGQS-XJKSGUPXSA-N 0 3 344.459 1.983 20 70 EDIDHN CSCC[C@@H](N)C(=O)Nc1ccc(OCc2nc(C)no2)cc1 ZINC000159665217 318419953 /nfs/dbraw/zinc/41/99/53/318419953.db2.gz HAZNMNBFYKJWIG-CYBMUJFWSA-N 0 3 336.417 1.976 20 70 EDIDHN COC(=O)Cn1cc(CCN(C)[C@@H](C)c2sc(C)nc2C)nn1 ZINC000160062292 533788628 /nfs/dbraw/zinc/78/86/28/533788628.db2.gz SXIKKMQOBWWGNZ-NSHDSACASA-N 0 3 337.449 1.760 20 70 EDIDHN CC(C)Oc1cccc(CC(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160089623 528219909 /nfs/dbraw/zinc/21/99/09/528219909.db2.gz AFLPOKMKXQTYGY-QGZVFWFLSA-N 0 3 334.460 1.979 20 70 EDIDHN CC(C)C[C@H](N)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000160103882 528552874 /nfs/dbraw/zinc/55/28/74/528552874.db2.gz VWDLKCIKYHSNKN-ZDUSSCGKSA-N 0 3 343.424 1.578 20 70 EDIDHN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCN(c2ccncc2)CC1 ZINC000161374547 540033300 /nfs/dbraw/zinc/03/33/00/540033300.db2.gz IEFGKPNTPMOGKU-HNNXBMFYSA-N 0 3 342.447 1.581 20 70 EDIDHN COCCN(C)CCN[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000159365051 225203509 /nfs/dbraw/zinc/20/35/09/225203509.db2.gz BZTVPMLDYXWFSD-LBPRGKRZSA-N 0 3 332.441 1.458 20 70 EDIDHN Cc1nn(-c2ccccc2)cc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160269137 225376646 /nfs/dbraw/zinc/37/66/46/225376646.db2.gz MZKPCUQBEYTNRB-KRWDZBQOSA-N 0 3 342.443 1.757 20 70 EDIDHN CN(C)CCOc1ccccc1CNC(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000160300887 225382715 /nfs/dbraw/zinc/38/27/15/225382715.db2.gz SUVGJEXGKZULEU-IRXDYDNUSA-N 0 3 349.475 1.929 20 70 EDIDHN Cc1cnn(Cc2cc(C(=O)N3CCC[C@@H]4CN(C)CC[C@H]43)no2)c1 ZINC000160374338 225399631 /nfs/dbraw/zinc/39/96/31/225399631.db2.gz SBKVLCXGBZXERG-RHSMWYFYSA-N 0 3 343.431 1.784 20 70 EDIDHN CCOC(=O)CCc1ccc(NC(=O)CNC[C@@H]2CCCO2)cc1 ZINC000160491402 272929823 /nfs/dbraw/zinc/92/98/23/272929823.db2.gz OMKBVHXHTAGPTM-INIZCTEOSA-N 0 3 334.416 1.889 20 70 EDIDHN CC(C)OC(=O)CCCNC(=O)N1CCN(c2ccncc2)CC1 ZINC000160192959 441865266 /nfs/dbraw/zinc/86/52/66/441865266.db2.gz PJVJYCMMYLMFJZ-UHFFFAOYSA-N 0 3 334.420 1.645 20 70 EDIDHN CCc1c(C(=O)NCc2ccccc2CN(C)C)[nH]c(C)c1C(N)=O ZINC000159827920 441840959 /nfs/dbraw/zinc/84/09/59/441840959.db2.gz MUPPEIUCOIEMCT-UHFFFAOYSA-N 0 3 342.443 1.976 20 70 EDIDHN COc1cc(Cl)ccc1C(=O)NCC1CCN(CCO)CC1 ZINC000160615578 441901591 /nfs/dbraw/zinc/90/15/91/441901591.db2.gz FNBZAUGKCUNDFI-UHFFFAOYSA-N 0 3 326.824 1.783 20 70 EDIDHN O=C(NCC1CCN(CCO)CC1)c1cc(-c2ccccc2)n[nH]1 ZINC000160714399 441912914 /nfs/dbraw/zinc/91/29/14/441912914.db2.gz FCECVIXRDDMPBZ-UHFFFAOYSA-N 0 3 328.416 1.511 20 70 EDIDHN CCN1CCN(CCC(=O)NCc2nc3c(cccc3C)[nH]2)CC1 ZINC000160468619 441886425 /nfs/dbraw/zinc/88/64/25/441886425.db2.gz PRTPFVIWPOEBKR-UHFFFAOYSA-N 0 3 329.448 1.515 20 70 EDIDHN CCN1CCN(CCC(=O)NCc2nc3cccc(C)c3[nH]2)CC1 ZINC000160468619 441886431 /nfs/dbraw/zinc/88/64/31/441886431.db2.gz PRTPFVIWPOEBKR-UHFFFAOYSA-N 0 3 329.448 1.515 20 70 EDIDHN CC(C)Cc1nc(C(=O)NC[C@H](O)CN2CCCCC2)cs1 ZINC000160472604 441886979 /nfs/dbraw/zinc/88/69/79/441886979.db2.gz BDAHFLQCGNFSPT-ZDUSSCGKSA-N 0 3 325.478 1.918 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000160075658 534538891 /nfs/dbraw/zinc/53/88/91/534538891.db2.gz UZJNOLAQJDHPIZ-HIFRSBDPSA-N 0 3 349.406 1.215 20 70 EDIDHN CC(=O)c1cccc(O[C@H](C)C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160268428 527385672 /nfs/dbraw/zinc/38/56/72/527385672.db2.gz MDLZAOGAJYQEBS-NVXWUHKLSA-N 0 3 348.443 1.620 20 70 EDIDHN CCN1CCN(CCCNC(=O)c2cccc(-c3nc[nH]n3)c2)CC1 ZINC000160363616 529145039 /nfs/dbraw/zinc/14/50/39/529145039.db2.gz WNNFKDBQXFYUCI-UHFFFAOYSA-N 0 3 342.447 1.229 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000160251559 267499724 /nfs/dbraw/zinc/49/97/24/267499724.db2.gz GEMGHGVWWROWOR-OAHLLOKOSA-N 0 3 346.406 1.792 20 70 EDIDHN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)C[C@@H]2CNCCO2)cc1 ZINC000161252547 272930661 /nfs/dbraw/zinc/93/06/61/272930661.db2.gz VOJUMTPOPOZKDP-RTBURBONSA-N 0 3 346.471 1.924 20 70 EDIDHN CCC(=O)c1ccc(OCC(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160313616 441871292 /nfs/dbraw/zinc/87/12/92/441871292.db2.gz UVPPETXUDNETCV-INIZCTEOSA-N 0 3 348.443 1.621 20 70 EDIDHN CCN1CCCC[C@H]1CNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000159623038 441824649 /nfs/dbraw/zinc/82/46/49/441824649.db2.gz WQUKYFLXLSNJHO-CABCVRRESA-N 0 3 348.495 1.890 20 70 EDIDHN CCN1CCN(CCC(=O)NCCc2cc3ccccc3[nH]2)CC1 ZINC000159629963 441826480 /nfs/dbraw/zinc/82/64/80/441826480.db2.gz PTYXRKRKYJSPHG-UHFFFAOYSA-N 0 3 328.460 1.854 20 70 EDIDHN CCN(CC)CC(=O)N1CCN(Cc2c(C)nc3ccccn32)CC1 ZINC000159795468 441838306 /nfs/dbraw/zinc/83/83/06/441838306.db2.gz ZHBMKTWSKGIWHS-UHFFFAOYSA-N 0 3 343.475 1.629 20 70 EDIDHN CN(C)Cc1cccc(CNC(=O)N[C@@H]2CCc3n[nH]cc3C2)c1 ZINC000159903697 441846088 /nfs/dbraw/zinc/84/60/88/441846088.db2.gz NANYDLYVIXVJIP-MRXNPFEDSA-N 0 3 327.432 1.828 20 70 EDIDHN O=C(NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCCCN1 ZINC000160432237 441882411 /nfs/dbraw/zinc/88/24/11/441882411.db2.gz DKLLHZCUQUATIV-STQMWFEESA-N 0 3 340.807 1.403 20 70 EDIDHN Cc1ccc(S(N)(=O)=O)c(C(=O)NCCN2CCCC[C@H]2C)c1 ZINC000160495293 441890609 /nfs/dbraw/zinc/89/06/09/441890609.db2.gz ORDVGPXZFCLXHC-CYBMUJFWSA-N 0 3 339.461 1.247 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc2c([nH]c1=O)CCCCC2 ZINC000160583280 441898413 /nfs/dbraw/zinc/89/84/13/441898413.db2.gz PRAVYLMSVKSNOH-OAHLLOKOSA-N 0 3 347.459 1.220 20 70 EDIDHN CSCC[C@@H](N)C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000160944597 441939634 /nfs/dbraw/zinc/93/96/34/441939634.db2.gz QVYSDDLYMGLWFU-HUUCEWRRSA-N 0 3 335.473 1.721 20 70 EDIDHN Cc1ccc([C@@H]2COCCN2C(=O)Nc2ccn(CCN(C)C)n2)o1 ZINC000161091137 441954936 /nfs/dbraw/zinc/95/49/36/441954936.db2.gz WTSOCYMTYDCNIA-AWEZNQCLSA-N 0 3 347.419 1.952 20 70 EDIDHN Cc1conc1NC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000161137891 441962125 /nfs/dbraw/zinc/96/21/25/441962125.db2.gz RVFFZTWDHRXPTI-ZDUSSCGKSA-N 0 3 330.388 1.558 20 70 EDIDHN C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)c2cccs2)CC1 ZINC000161456649 442001837 /nfs/dbraw/zinc/00/18/37/442001837.db2.gz OIZJVOSUCUKWHR-GFCCVEGCSA-N 0 3 332.491 1.461 20 70 EDIDHN CN(C)CCn1cc(NC(=O)N[C@H]2c3ccccc3C[C@@H]2O)cn1 ZINC000161488362 486644667 /nfs/dbraw/zinc/64/46/67/486644667.db2.gz RXDHBZSFRPALBU-HOTGVXAUSA-N 0 3 329.404 1.225 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc2ccccc2oc1=O ZINC000160255004 534538525 /nfs/dbraw/zinc/53/85/25/534538525.db2.gz RXMJCOFHPPJGSU-CQSZACIVSA-N 0 3 330.384 1.370 20 70 EDIDHN CN(CCc1nc(-c2cccc(Cl)c2)no1)CC(C)(CO)CO ZINC000159556707 529938727 /nfs/dbraw/zinc/93/87/27/529938727.db2.gz QNXMIEMBQMANQB-UHFFFAOYSA-N 0 3 339.823 1.855 20 70 EDIDHN COc1ccc2c(c1)C=C(C(=O)NC[C@@H](O)CN1CCCCC1)CO2 ZINC000160236364 533242735 /nfs/dbraw/zinc/24/27/35/533242735.db2.gz KBTBDWPPUXLNJZ-MRXNPFEDSA-N 0 3 346.427 1.434 20 70 EDIDHN O=C(Cc1ccc(F)cc1Cl)NC[C@H](O)CN1CCCCC1 ZINC000160253245 225372404 /nfs/dbraw/zinc/37/24/04/225372404.db2.gz ZFSOZMZVPSTKGG-AWEZNQCLSA-N 0 3 328.815 1.985 20 70 EDIDHN O=C(COc1ccc2c(c1)CCCC2)NC[C@H](O)CN1CCCCC1 ZINC000160061766 225329941 /nfs/dbraw/zinc/32/99/41/225329941.db2.gz UNTLUTVZXGDXNU-SFHVURJKSA-N 0 3 346.471 1.907 20 70 EDIDHN COc1c(C)cnc(CN2CCC(N3CCC[C@H]3C(N)=O)CC2)c1C ZINC000159419734 274087930 /nfs/dbraw/zinc/08/79/30/274087930.db2.gz GSHATYPOFMCPNS-KRWDZBQOSA-N 0 3 346.475 1.621 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1cncc(Br)c1 ZINC000160362114 279857175 /nfs/dbraw/zinc/85/71/75/279857175.db2.gz KEFIZVDNVSORBQ-ZDUSSCGKSA-N 0 3 342.237 1.421 20 70 EDIDHN Cc1ccoc1C(=O)NCCCNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000159454357 441815535 /nfs/dbraw/zinc/81/55/35/441815535.db2.gz YARIEHHAXPHRPM-AWEZNQCLSA-N 0 3 336.436 1.349 20 70 EDIDHN CCCCc1noc([C@H](C)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)n1 ZINC000159398553 441809352 /nfs/dbraw/zinc/80/93/52/441809352.db2.gz AXIDKZGQLAYHGS-DZGCQCFKSA-N 0 3 349.479 1.887 20 70 EDIDHN CC(C(=O)N(C)C)S(=O)(=O)Cc1noc(C2CCCCC2)n1 ZINC000159415771 441810966 /nfs/dbraw/zinc/81/09/66/441810966.db2.gz QMJZMUGARKNPJI-JTQLQIEISA-N 0 3 329.422 1.509 20 70 EDIDHN CCN1CCCN(C(=O)NCCCNC(=O)OC(C)(C)C)CC1 ZINC000159818381 441840164 /nfs/dbraw/zinc/84/01/64/441840164.db2.gz ZQZDLNBMNNDFRV-UHFFFAOYSA-N 0 3 328.457 1.638 20 70 EDIDHN CC(C)C[C@H](C)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000159838667 441842048 /nfs/dbraw/zinc/84/20/48/441842048.db2.gz LLOPEIFTSZKIFM-LSDHHAIUSA-N 0 3 326.485 1.663 20 70 EDIDHN COCCCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159935737 441847746 /nfs/dbraw/zinc/84/77/46/441847746.db2.gz BESDHUPRPGGLTC-UONOGXRCSA-N 0 3 331.420 1.459 20 70 EDIDHN CC[C@@H](CNC(=O)C1(NC(N)=O)CC1)N1CCc2ccccc2C1 ZINC000159947627 441849127 /nfs/dbraw/zinc/84/91/27/441849127.db2.gz KDBVFRURVIGDRV-HNNXBMFYSA-N 0 3 330.432 1.140 20 70 EDIDHN Cc1conc1NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000160032336 441855555 /nfs/dbraw/zinc/85/55/55/441855555.db2.gz ZPIPCBYEIJQVLV-AWEZNQCLSA-N 0 3 330.388 1.211 20 70 EDIDHN CCc1noc(C)c1NC(=O)C(=O)NCCN1CCCC[C@H]1CC ZINC000160608699 441901886 /nfs/dbraw/zinc/90/18/86/441901886.db2.gz VKFHTCBTDZDWSO-CYBMUJFWSA-N 0 3 336.436 1.865 20 70 EDIDHN O=C(NCC1CCN(CCO)CC1)Nc1ccn(CC(F)(F)F)n1 ZINC000160626968 441903318 /nfs/dbraw/zinc/90/33/18/441903318.db2.gz OPDNWFWIRQEPIJ-UHFFFAOYSA-N 0 3 349.357 1.271 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000160690801 441909843 /nfs/dbraw/zinc/90/98/43/441909843.db2.gz CZVNMWCXGZASAS-NVXWUHKLSA-N 0 3 349.406 1.282 20 70 EDIDHN O=C(NCC1CCN(CCO)CC1)c1cccc(OC(F)F)c1 ZINC000160697056 441910309 /nfs/dbraw/zinc/91/03/09/441910309.db2.gz QRYABZJTWDWBIW-UHFFFAOYSA-N 0 3 328.359 1.722 20 70 EDIDHN Cc1cc2ccccc2n1CC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160693961 441910980 /nfs/dbraw/zinc/91/09/80/441910980.db2.gz DSIKIBHSRLOMOJ-QGZVFWFLSA-N 0 3 329.444 1.913 20 70 EDIDHN CCN(C)[C@H](C(=O)NCC1CCN(CCO)CC1)c1ccccc1 ZINC000160704197 441911760 /nfs/dbraw/zinc/91/17/60/441911760.db2.gz LJQJMDDMGBWICV-SFHVURJKSA-N 0 3 333.476 1.500 20 70 EDIDHN O=C(CCCNC(=O)c1ccccc1)NCC1CCN(CCO)CC1 ZINC000160722008 441913288 /nfs/dbraw/zinc/91/32/88/441913288.db2.gz AIRBADAKFIWJTO-UHFFFAOYSA-N 0 3 347.459 1.017 20 70 EDIDHN C[C@@H]1C[C@@H](NC(=O)NC[C@]2(O)CCSC2)CN1Cc1ccccc1 ZINC000160409732 441879604 /nfs/dbraw/zinc/87/96/04/441879604.db2.gz ZBHXUCIYSPFGTQ-QGPMSJSTSA-N 0 3 349.500 1.817 20 70 EDIDHN Cc1ccc(S(N)(=O)=O)c(C(=O)NCCN2CCCC[C@@H]2C)c1 ZINC000160495151 441889851 /nfs/dbraw/zinc/88/98/51/441889851.db2.gz ORDVGPXZFCLXHC-ZDUSSCGKSA-N 0 3 339.461 1.247 20 70 EDIDHN CC(C(=O)NC1CCC(C)CC1)S(=O)(=O)Cc1nccn1C ZINC000161199459 441971355 /nfs/dbraw/zinc/97/13/55/441971355.db2.gz CXHQFZWXYMOFRB-OTTFEQOBSA-N 0 3 327.450 1.418 20 70 EDIDHN CCC[C@H]1CN(C(=O)NC[C@@H]2CCCN2C)CCN1CCOC ZINC000160977423 441942669 /nfs/dbraw/zinc/94/26/69/441942669.db2.gz FHIKECDBXCUQJZ-HOTGVXAUSA-N 0 3 326.485 1.223 20 70 EDIDHN C[C@H](O)CN1CCC(CN(C)S(=O)(=O)c2cccc(F)c2)CC1 ZINC000161448774 442000209 /nfs/dbraw/zinc/00/02/09/442000209.db2.gz QSLAQLQPBMHGCK-ZDUSSCGKSA-N 0 3 344.452 1.539 20 70 EDIDHN CCn1cnnc1[C@@H]1CCCN(Cc2cc(=O)n3ccccc3n2)C1 ZINC000161297691 441982265 /nfs/dbraw/zinc/98/22/65/441982265.db2.gz IFTKZRMQNVBAPO-CQSZACIVSA-N 0 3 338.415 1.686 20 70 EDIDHN COCCCN1CCC(NC(=O)N(C)C[C@H]2CCC[C@H]2O)CC1 ZINC000160570526 318422333 /nfs/dbraw/zinc/42/23/33/318422333.db2.gz LLETZPQBPGOANA-GDBMZVCRSA-N 0 3 327.469 1.290 20 70 EDIDHN O=C(CCCOc1ccc(F)cc1)NC[C@H](O)CN1CCCCC1 ZINC000160093614 534365712 /nfs/dbraw/zinc/36/57/12/534365712.db2.gz GTQGDEAWEOZVTB-INIZCTEOSA-N 0 3 338.423 1.948 20 70 EDIDHN O=C(Cc1csc(-c2ccoc2)n1)NC[C@H](O)CN1CCCCC1 ZINC000160136138 534749278 /nfs/dbraw/zinc/74/92/78/534749278.db2.gz YOIQZHUFOIEQAY-HNNXBMFYSA-N 0 3 349.456 1.909 20 70 EDIDHN CC(C)N(CCc1nccs1)C[C@@H](O)COC1CCOCC1 ZINC000159920810 528914569 /nfs/dbraw/zinc/91/45/69/528914569.db2.gz MOYVVCAKANDCIC-CQSZACIVSA-N 0 3 328.478 1.953 20 70 EDIDHN CCN1CCN(CCNC(=O)c2cc3c([nH]c2=O)CCCCC3)CC1 ZINC000160080610 529145920 /nfs/dbraw/zinc/14/59/20/529145920.db2.gz ASNFNOAOAQIOOH-UHFFFAOYSA-N 0 3 346.475 1.011 20 70 EDIDHN CCN1CCC[C@@H]1CNC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000160362633 540023013 /nfs/dbraw/zinc/02/30/13/540023013.db2.gz OPALSFKNNDGRDI-QGZVFWFLSA-N 0 3 331.464 1.393 20 70 EDIDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ncccc1S(N)(=O)=O ZINC000160238371 225367619 /nfs/dbraw/zinc/36/76/19/225367619.db2.gz MGGZVBKDENLCDK-ZFWWWQNUSA-N 0 3 346.456 1.661 20 70 EDIDHN COc1ccccc1OCCC(=O)NC[C@H](O)CN1CCCCC1 ZINC000160500845 272929919 /nfs/dbraw/zinc/92/99/19/272929919.db2.gz UILVSNNQGAKWEU-HNNXBMFYSA-N 0 3 336.432 1.427 20 70 EDIDHN CN(C)CCN1CCC(NC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000159544404 441819579 /nfs/dbraw/zinc/81/95/79/441819579.db2.gz NMCMOTUYDPMWHJ-IAGOWNOFSA-N 0 3 338.496 1.269 20 70 EDIDHN Cc1nccn1CCCN(C)[C@H]1CC(=O)N(c2ccccc2F)C1=O ZINC000160262576 441870113 /nfs/dbraw/zinc/87/01/13/441870113.db2.gz PAAUPXDLGHQNGQ-INIZCTEOSA-N 0 3 344.390 1.985 20 70 EDIDHN C[C@H](CNC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1)N(C)Cc1ccccc1 ZINC000159590457 441823032 /nfs/dbraw/zinc/82/30/32/441823032.db2.gz INRXRVDIAWVYJQ-HYVNUMGLSA-N 0 3 346.475 1.850 20 70 EDIDHN CCN1CCCN(C(=O)N[C@@H]2CCC[C@H](C(=O)NC(C)C)C2)CC1 ZINC000159870198 441843567 /nfs/dbraw/zinc/84/35/67/441843567.db2.gz BHLWALNZLPQEJD-JKSUJKDBSA-N 0 3 338.496 1.807 20 70 EDIDHN CN(C)CCn1ccc(NC(=O)NCCC[C@H]2CCCC[C@H]2O)n1 ZINC000160079740 441856789 /nfs/dbraw/zinc/85/67/89/441856789.db2.gz UMGFJWJSOHLHLK-HUUCEWRRSA-N 0 3 337.468 1.898 20 70 EDIDHN O=C(N[C@H]1CCN(CC2CC2)C1)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000160614728 441902303 /nfs/dbraw/zinc/90/23/03/441902303.db2.gz FXCSRAMXPGTLAA-DLBZAZTESA-N 0 3 342.443 1.353 20 70 EDIDHN CN1CC[C@H](CNC(=O)c2cncc(I)c2)C1 ZINC000160657128 441905588 /nfs/dbraw/zinc/90/55/88/441905588.db2.gz XGDRWPKTUAIODH-SECBINFHSA-N 0 3 345.184 1.368 20 70 EDIDHN O=C(CSc1nc2ccccc2o1)NC[C@@H](O)CN1CCCCC1 ZINC000160700852 441910922 /nfs/dbraw/zinc/91/09/22/441910922.db2.gz ZNTFCBHWOMQQOP-CYBMUJFWSA-N 0 3 349.456 1.883 20 70 EDIDHN COCCN(C)CCCNC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000160774617 441919524 /nfs/dbraw/zinc/91/95/24/441919524.db2.gz VWORCMWLSWFCNC-HNNXBMFYSA-N 0 3 341.477 1.799 20 70 EDIDHN O=C(C[C@H]1C(=O)Nc2ccccc21)NC[C@H](O)CN1CCCCC1 ZINC000160417301 441880420 /nfs/dbraw/zinc/88/04/20/441880420.db2.gz MKZFJAUCSAOAMF-DZGCQCFKSA-N 0 3 331.416 1.075 20 70 EDIDHN CC(=O)Nc1ccc(CC(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000160493142 441889011 /nfs/dbraw/zinc/88/90/11/441889011.db2.gz AKPQNLCTGPWYRH-QGZVFWFLSA-N 0 3 333.432 1.151 20 70 EDIDHN C[C@@H](CCOc1ccccc1)C(=O)NCC1CCN(CCO)CC1 ZINC000160530892 441893097 /nfs/dbraw/zinc/89/30/97/441893097.db2.gz ZRXKQWTYGYAWRF-INIZCTEOSA-N 0 3 334.460 1.912 20 70 EDIDHN COCCCN1CCC(NC(=O)NCCc2ccncc2C)CC1 ZINC000160569859 441897440 /nfs/dbraw/zinc/89/74/40/441897440.db2.gz IDIBNNANCKANSU-UHFFFAOYSA-N 0 3 334.464 1.733 20 70 EDIDHN COC(=O)C(C)(C)c1ccc(NC(=O)CNC[C@@H]2CCCO2)cc1 ZINC000161040776 441949442 /nfs/dbraw/zinc/94/94/42/441949442.db2.gz CBZAQCPXWHSZNA-HNNXBMFYSA-N 0 3 334.416 1.844 20 70 EDIDHN Cc1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)cn1 ZINC000161131297 441961271 /nfs/dbraw/zinc/96/12/71/441961271.db2.gz FIKZWDYBWNJIMZ-KRWDZBQOSA-N 0 3 340.427 1.618 20 70 EDIDHN C[C@@H](CNC(=O)c1cccc2c1oc(=O)n2C)N1CCC(C)CC1 ZINC000161381377 441992310 /nfs/dbraw/zinc/99/23/10/441992310.db2.gz CRLLTYSLLGDQMX-ZDUSSCGKSA-N 0 3 331.416 1.982 20 70 EDIDHN C[NH+](C)C[C@](C)(O)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000161430126 441999296 /nfs/dbraw/zinc/99/92/96/441999296.db2.gz LXZBCXNIBGBBEK-GFCCVEGCSA-N 0 3 341.260 1.584 20 70 EDIDHN C[C@]1(O)CCCN(C(=O)NC2CCN(CCc3ccncc3)CC2)C1 ZINC000161469263 442003120 /nfs/dbraw/zinc/00/31/20/442003120.db2.gz IEYFKKOWXWCXDI-IBGZPJMESA-N 0 3 346.475 1.645 20 70 EDIDHN CC(C)c1nc2n(n1)C[C@H](NC(=O)N(C)C[C@@H]1CCCN(C)C1)CC2 ZINC000161503875 442006160 /nfs/dbraw/zinc/00/61/60/442006160.db2.gz JLJAWTVFNCVOSS-HUUCEWRRSA-N 0 3 348.495 1.700 20 70 EDIDHN CCN1CCCN(C(=O)NCC(=O)N(C)Cc2ccccc2)CC1 ZINC000159710002 529023638 /nfs/dbraw/zinc/02/36/38/529023638.db2.gz SZAOXMJHCKYHQS-UHFFFAOYSA-N 0 3 332.448 1.382 20 70 EDIDHN CCOCCO[C@H]1CCN(C(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000160693855 540024899 /nfs/dbraw/zinc/02/48/99/540024899.db2.gz XAFBNTGSWNRFAG-HNNXBMFYSA-N 0 3 339.440 1.104 20 70 EDIDHN Cc1ccccc1-c1nc(CS(=O)(=O)C(C)C(=O)N(C)C)no1 ZINC000159400108 206244309 /nfs/dbraw/zinc/24/43/09/206244309.db2.gz AFVKXRYXBZWSFA-LLVKDONJSA-N 0 3 337.401 1.437 20 70 EDIDHN Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000159717996 206260351 /nfs/dbraw/zinc/26/03/51/206260351.db2.gz DUBJYVCOELAHHB-AWEZNQCLSA-N 0 3 330.388 1.127 20 70 EDIDHN CCN1CCCN(C(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)CC1 ZINC000159907591 206270413 /nfs/dbraw/zinc/27/04/13/206270413.db2.gz PZRXRJXOFYHMKI-QGZVFWFLSA-N 0 3 344.459 1.838 20 70 EDIDHN C[C@@H]1C[C@@H](NC(=O)N2CCC(C(N)=O)CC2)CN1Cc1ccccc1 ZINC000160123369 206279969 /nfs/dbraw/zinc/27/99/69/206279969.db2.gz MGELAOBICGCLPB-RHSMWYFYSA-N 0 3 344.459 1.556 20 70 EDIDHN O=C(C[C@H]1OCCc2ccccc21)NC[C@H](O)CN1CCCCC1 ZINC000160134550 206280329 /nfs/dbraw/zinc/28/03/29/206280329.db2.gz MBFUXWVFZAVLRG-FUHWJXTLSA-N 0 3 332.444 1.654 20 70 EDIDHN COc1cccc(SCC(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160440917 206297720 /nfs/dbraw/zinc/29/77/20/206297720.db2.gz KDXSLEZAFXLHQT-CQSZACIVSA-N 0 3 338.473 1.750 20 70 EDIDHN CN(C)[C@H]1CCCN(C(=O)NCc2cn(C)nc2C(F)(F)F)C1 ZINC000160813783 206313964 /nfs/dbraw/zinc/31/39/64/206313964.db2.gz SYZHWBCDKQPHKX-NSHDSACASA-N 0 3 333.358 1.675 20 70 EDIDHN Cn1cc(-c2ncc(C(=O)NC[C@H](O)CN3CCCCC3)s2)cn1 ZINC000160466629 272929737 /nfs/dbraw/zinc/92/97/37/272929737.db2.gz GAGZIYPRTITUCZ-ZDUSSCGKSA-N 0 3 349.460 1.120 20 70 EDIDHN CCc1noc(C)c1NC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000160092629 302920405 /nfs/dbraw/zinc/92/04/05/302920405.db2.gz YEVWPRGDKJNSTN-UHFFFAOYSA-N 0 3 344.415 1.862 20 70 EDIDHN CN(C)CCn1ccc(NC(=O)NCCC[C@H]2CCCC[C@@H]2O)n1 ZINC000160079469 441857137 /nfs/dbraw/zinc/85/71/37/441857137.db2.gz UMGFJWJSOHLHLK-CABCVRRESA-N 0 3 337.468 1.898 20 70 EDIDHN CC(C)OCCN1CCC(NC(=O)c2cccc3[nH]c(=O)oc32)CC1 ZINC000160198605 441865281 /nfs/dbraw/zinc/86/52/81/441865281.db2.gz AEMFCAJOIBQIAC-UHFFFAOYSA-N 0 3 347.415 1.740 20 70 EDIDHN C[C@H](CC(=O)NC[C@@H](O)CN1CCCCC1)NC(=O)C1CCCC1 ZINC000160323954 441872736 /nfs/dbraw/zinc/87/27/36/441872736.db2.gz MRWNFHUJHWNBAU-GDBMZVCRSA-N 0 3 339.480 1.034 20 70 EDIDHN CCCCN(C)CCNC(=O)c1cc(N2CCNC2=O)ccc1F ZINC000159950054 441849482 /nfs/dbraw/zinc/84/94/82/441849482.db2.gz IVCVXIIDMQJGAR-UHFFFAOYSA-N 0 3 336.411 1.817 20 70 EDIDHN CNS(=O)(=O)c1cccc([C@H](C)N[C@@H]2CCc3nc(C)nn3C2)c1 ZINC000160457943 441886116 /nfs/dbraw/zinc/88/61/16/441886116.db2.gz OTAIBOPVYFYEEM-SMDDNHRTSA-N 0 3 349.460 1.160 20 70 EDIDHN CCc1noc(C)c1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C ZINC000160879798 441931448 /nfs/dbraw/zinc/93/14/48/441931448.db2.gz SHKDXAFTAQSYFR-KGLIPLIRSA-N 0 3 348.447 1.958 20 70 EDIDHN Cc1ccc(NC(=O)C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000161355569 441989788 /nfs/dbraw/zinc/98/97/88/441989788.db2.gz FVODHPMDIAYLRH-KCQAQPDRSA-N 0 3 332.448 1.811 20 70 EDIDHN COCCN(C)CCCNC(=O)NC[C@H](C)c1c(C)noc1C ZINC000159636286 206256497 /nfs/dbraw/zinc/25/64/97/206256497.db2.gz NHOXFDXGHDGVNT-LBPRGKRZSA-N 0 3 326.441 1.662 20 70 EDIDHN Cc1ccc(S(N)(=O)=O)c(C(=O)NCCN2CCC(C)CC2)c1 ZINC000160462537 206298774 /nfs/dbraw/zinc/29/87/74/206298774.db2.gz UDPSJLISDMJVCH-UHFFFAOYSA-N 0 3 339.461 1.104 20 70 EDIDHN Cc1ccc(S(=O)(=O)N(C)CC2CCN(C[C@H](C)O)CC2)cc1 ZINC000161423518 206348404 /nfs/dbraw/zinc/34/84/04/206348404.db2.gz ACXXAOKCUKKPTO-HNNXBMFYSA-N 0 3 340.489 1.708 20 70 EDIDHN CCN1CCCN(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000159846991 279286250 /nfs/dbraw/zinc/28/62/50/279286250.db2.gz JGVAXESWFVMETA-CQSZACIVSA-N 0 3 340.468 1.733 20 70 EDIDHN CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000160281748 441870240 /nfs/dbraw/zinc/87/02/40/441870240.db2.gz RVICWIUQHMTBMP-IAGOWNOFSA-N 0 3 338.496 1.223 20 70 EDIDHN CC(C)CN1CCC[C@@H]1CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000160304539 441870960 /nfs/dbraw/zinc/87/09/60/441870960.db2.gz GOEMNPBZUPKSJC-QLFBSQMISA-N 0 3 333.498 1.050 20 70 EDIDHN COc1ccsc1S(=O)(=O)N1CCN(C)c2ccncc21 ZINC000159816812 441840367 /nfs/dbraw/zinc/84/03/67/441840367.db2.gz FGVINDJWIYESIN-UHFFFAOYSA-N 0 3 325.415 1.797 20 70 EDIDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CCC[C@@H]1CO ZINC000160018927 441854481 /nfs/dbraw/zinc/85/44/81/441854481.db2.gz OIXQFBZAISLHAG-HPBDAGMYSA-N 0 3 331.460 1.967 20 70 EDIDHN CN(C(=O)[C@H]1CCC(=O)N1)c1ccc(OCCN2CCCC2)cc1 ZINC000160839174 441926651 /nfs/dbraw/zinc/92/66/51/441926651.db2.gz GHGGVCVTBYEJFT-MRXNPFEDSA-N 0 3 331.416 1.403 20 70 EDIDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000160755762 441916545 /nfs/dbraw/zinc/91/65/45/441916545.db2.gz MWLGRDUNUCTGIQ-QWHCGFSZSA-N 0 3 330.432 1.717 20 70 EDIDHN CCc1c(C(=O)NC[C@H](O)CN2CCCCC2)cnn1CC(C)C ZINC000160428515 441881376 /nfs/dbraw/zinc/88/13/76/441881376.db2.gz ZMZDSSGHNOEFTI-HNNXBMFYSA-N 0 3 336.480 1.678 20 70 EDIDHN CCc1n[nH]c(=O)c(CNC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1CC ZINC000160440753 441883003 /nfs/dbraw/zinc/88/30/03/441883003.db2.gz NTKOGTNJODVVFN-BLLLJJGKSA-N 0 3 349.479 1.376 20 70 EDIDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)CC2 ZINC000160558405 441896388 /nfs/dbraw/zinc/89/63/88/441896388.db2.gz ZCJLSRWPGSJIGF-FZMZJTMJSA-N 0 3 334.445 1.656 20 70 EDIDHN C[C@H](CS(=O)(=O)NCC1CCN(CCO)CC1)c1ccccc1 ZINC000161422559 441998495 /nfs/dbraw/zinc/99/84/95/441998495.db2.gz ZJAADHLDDXMXAB-OAHLLOKOSA-N 0 3 340.489 1.414 20 70 EDIDHN CCO[C@H]1C[C@H](O)C12CCN(C(=O)NC1CCN(CC)CC1)CC2 ZINC000161285294 441980654 /nfs/dbraw/zinc/98/06/54/441980654.db2.gz AAWTUNBADGRUKD-HOTGVXAUSA-N 0 3 339.480 1.432 20 70 EDIDHN Cc1ccc(NC(=O)C(=O)N2CCN(c3ccncc3)CC2)cn1 ZINC000160667531 539484112 /nfs/dbraw/zinc/48/41/12/539484112.db2.gz VAYFXSIYVHZHRJ-UHFFFAOYSA-N 0 3 325.372 1.072 20 70 EDIDHN CN(C)CCn1cc(NC(=O)NCCC[C@@H]2CCCC[C@H]2O)cn1 ZINC000160239473 540021503 /nfs/dbraw/zinc/02/15/03/540021503.db2.gz JEJNEZHTKIQUME-GOEBONIOSA-N 0 3 337.468 1.898 20 70 EDIDHN CCC(=O)N1CC[C@H](C(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000159489242 206248458 /nfs/dbraw/zinc/24/84/58/206248458.db2.gz OPFVXDHKAVKVFK-DLBZAZTESA-N 0 3 331.460 1.534 20 70 EDIDHN NC1(C(=O)NCCCCN2C(=O)c3ccccc3C2=O)CCCCC1 ZINC000159800562 206264386 /nfs/dbraw/zinc/26/43/86/206264386.db2.gz IIEXAMVFBSLLII-UHFFFAOYSA-N 0 3 343.427 1.841 20 70 EDIDHN O=C(CCSCc1ccccn1)NC[C@@H](O)CN1CCCCC1 ZINC000159964831 206272747 /nfs/dbraw/zinc/27/27/47/206272747.db2.gz ZGXUZDQIYLNRAG-MRXNPFEDSA-N 0 3 337.489 1.668 20 70 EDIDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(CO)CC1 ZINC000159987488 206273708 /nfs/dbraw/zinc/27/37/08/206273708.db2.gz UVIQLPLHFIYJDH-YJBOKZPZSA-N 0 3 331.460 1.921 20 70 EDIDHN CC(=O)c1cccc(OCC(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000159976654 206273864 /nfs/dbraw/zinc/27/38/64/206273864.db2.gz QNPXDBNYRADQPW-INIZCTEOSA-N 0 3 334.416 1.231 20 70 EDIDHN CC(=O)c1cccc(O[C@@H](C)C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160268291 206288802 /nfs/dbraw/zinc/28/88/02/206288802.db2.gz MDLZAOGAJYQEBS-DOTOQJQBSA-N 0 3 348.443 1.620 20 70 EDIDHN COCCN(C)CCCNC(=O)c1c(Cl)n(C)nc1C(C)C ZINC000160432944 206298119 /nfs/dbraw/zinc/29/81/19/206298119.db2.gz LSZLXAFONVTYOV-UHFFFAOYSA-N 0 3 330.860 1.895 20 70 EDIDHN CNS(=O)(=O)c1cccc([C@@H](C)NC[C@@H]2CCCC[C@@H]2O)c1 ZINC000160563368 206303762 /nfs/dbraw/zinc/30/37/62/206303762.db2.gz CVOFZAPBQNOAOV-INWMFGNUSA-N 0 3 326.462 1.796 20 70 EDIDHN CCS(=O)(=O)Nc1ccc([C@H](C)NCC(=O)NC(C)C)cc1 ZINC000160966979 206320430 /nfs/dbraw/zinc/32/04/30/206320430.db2.gz GHHXSHSFMMLXIO-LBPRGKRZSA-N 0 3 327.450 1.623 20 70 EDIDHN N#Cc1ccc(NS(=O)(=O)CCCCS(=O)(=O)F)cc1F ZINC000460088295 270014127 /nfs/dbraw/zinc/01/41/27/270014127.db2.gz BOGOUWJEXITULW-UHFFFAOYSA-N 0 3 338.357 1.519 20 70 EDIDHN CC(=O)N1CCc2cc(C(=O)NCC3CCN(CCO)CC3)ccc21 ZINC000160577106 272930031 /nfs/dbraw/zinc/93/00/31/272930031.db2.gz FLYKZJPWSADFME-UHFFFAOYSA-N 0 3 345.443 1.030 20 70 EDIDHN CNS(=O)(=O)c1ccc([C@H](C)NCCOCC(F)(F)F)cc1 ZINC000159372590 441807384 /nfs/dbraw/zinc/80/73/84/441807384.db2.gz OMOKPXGQOWKDBG-JTQLQIEISA-N 0 3 340.367 1.824 20 70 EDIDHN CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000159622895 441824456 /nfs/dbraw/zinc/82/44/56/441824456.db2.gz WQUKYFLXLSNJHO-HUUCEWRRSA-N 0 3 348.495 1.890 20 70 EDIDHN Cc1ccc(NC(=O)C(=O)NC[C@@H](C2CCCCC2)N(C)C)cn1 ZINC000160039708 441855757 /nfs/dbraw/zinc/85/57/57/441855757.db2.gz DKHUTBBTYZYBOG-INIZCTEOSA-N 0 3 332.448 1.955 20 70 EDIDHN CN(C)CCN(CCN(C)C)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000160394060 441876640 /nfs/dbraw/zinc/87/66/40/441876640.db2.gz PFZJRMXCYYIUDA-JKSUJKDBSA-N 0 3 326.485 1.079 20 70 EDIDHN COc1cc(Cl)c(C(=O)NC[C@](C)(O)CN(C)C)cc1OC ZINC000161415433 441996710 /nfs/dbraw/zinc/99/67/10/441996710.db2.gz ODEVNGTWWBXVNP-HNNXBMFYSA-N 0 3 330.812 1.400 20 70 EDIDHN O=S(=O)(NCC1CCN(CCO)CC1)c1cccc2ncccc21 ZINC000161421401 441997776 /nfs/dbraw/zinc/99/77/76/441997776.db2.gz FNNUMADASXDNDH-UHFFFAOYSA-N 0 3 349.456 1.217 20 70 EDIDHN CCOCCCNC(=O)[C@H](C)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159853807 318421448 /nfs/dbraw/zinc/42/14/48/318421448.db2.gz ZLTGHKHEWUETCA-CABCVRRESA-N 0 3 345.447 1.849 20 70 EDIDHN CC(C)N(C[C@H](C)O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000160044076 517439320 /nfs/dbraw/zinc/43/93/20/517439320.db2.gz LQEWJYBGYSOQBG-HNNXBMFYSA-N 0 3 337.464 1.928 20 70 EDIDHN CCN1CCCN(C(=O)NCC(=O)N2CCc3ccccc32)CC1 ZINC000159798442 206263424 /nfs/dbraw/zinc/26/34/24/206263424.db2.gz ZCBZNDDNPGOUGE-UHFFFAOYSA-N 0 3 330.432 1.313 20 70 EDIDHN Cc1noc(Cl)c1CCC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000159939805 206271166 /nfs/dbraw/zinc/27/11/66/206271166.db2.gz KOKDZOUCVQDNJV-GFCCVEGCSA-N 0 3 329.828 1.532 20 70 EDIDHN COc1ccc(SCC(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000159953055 206271677 /nfs/dbraw/zinc/27/16/77/206271677.db2.gz BDHDHAFYRCNHIV-CQSZACIVSA-N 0 3 338.473 1.750 20 70 EDIDHN O=S(=O)(Cc1c(F)cccc1F)NC[C@H]1CCN(C2CC2)C1 ZINC000160562704 206303381 /nfs/dbraw/zinc/30/33/81/206303381.db2.gz DRNHMLGMVGEWPS-LLVKDONJSA-N 0 3 330.400 1.869 20 70 EDIDHN CCCN1CCCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000160399922 276005425 /nfs/dbraw/zinc/00/54/25/276005425.db2.gz WLLCAVRVWOSMIP-GFCCVEGCSA-N 0 3 335.370 1.342 20 70 EDIDHN CCc1noc(C)c1NC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000160273993 441869668 /nfs/dbraw/zinc/86/96/68/441869668.db2.gz SHYCDWNGKKBIRM-RYUDHWBXSA-N 0 3 336.436 1.721 20 70 EDIDHN CC(C)CCn1ccc(NC(=O)C(=O)NC[C@@H](C2CC2)N(C)C)n1 ZINC000160396374 441877796 /nfs/dbraw/zinc/87/77/96/441877796.db2.gz RNXFHCNVHNHPIQ-AWEZNQCLSA-N 0 3 335.452 1.324 20 70 EDIDHN CSCC[C@H](N)C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000161187814 441968508 /nfs/dbraw/zinc/96/85/08/441968508.db2.gz XGLIDHXDSOYJRX-INIZCTEOSA-N 0 3 349.500 1.735 20 70 EDIDHN O=C(N[C@H]1CCc2ncnn2C1)N1CCC[C@@H]1CN1CCCCC1 ZINC000161196494 441969255 /nfs/dbraw/zinc/96/92/55/441969255.db2.gz OYLUAEGCNDYAEH-LSDHHAIUSA-N 0 3 332.452 1.253 20 70 EDIDHN CC(C)n1ccnc1CS(=O)(=O)C(C)C(=O)NC1CCCC1 ZINC000161218844 441973392 /nfs/dbraw/zinc/97/33/92/441973392.db2.gz XOFXRUCWXVCRJK-LBPRGKRZSA-N 0 3 327.450 1.826 20 70 EDIDHN Cc1cccc(CN(CCN(C)C)C(=O)c2nc(C)c(C)[nH]c2=O)c1 ZINC000159635244 318419943 /nfs/dbraw/zinc/41/99/43/318419943.db2.gz YYRKVASOHBFNAF-UHFFFAOYSA-N 0 3 342.443 1.899 20 70 EDIDHN O=C(NCCOc1ncccc1Cl)N[C@H]1CCN(CC2CC2)C1 ZINC000161108642 540030552 /nfs/dbraw/zinc/03/05/52/540030552.db2.gz MXFGUMWZLGGWMU-ZDUSSCGKSA-N 0 3 338.839 1.897 20 70 EDIDHN CCC(=O)N1CC[C@@H](C(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000159489353 206248387 /nfs/dbraw/zinc/24/83/87/206248387.db2.gz OPFVXDHKAVKVFK-IAGOWNOFSA-N 0 3 331.460 1.534 20 70 EDIDHN CCN1CCCN(C(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)CC1 ZINC000159907728 206270436 /nfs/dbraw/zinc/27/04/36/206270436.db2.gz PZRXRJXOFYHMKI-KRWDZBQOSA-N 0 3 344.459 1.838 20 70 EDIDHN C[C@@H](CNC(=O)N1CCN(Cc2ccccn2)CC1)N(C)C1CC1 ZINC000160069291 206277238 /nfs/dbraw/zinc/27/72/38/206277238.db2.gz SUAHJZPQQWDDQT-HNNXBMFYSA-N 0 3 331.464 1.392 20 70 EDIDHN COC[C@@H](O)CCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000161195345 206335049 /nfs/dbraw/zinc/33/50/49/206335049.db2.gz BMFHEMZXAQAKSZ-LPHOPBHVSA-N 0 3 348.487 1.843 20 70 EDIDHN C[C@]1(c2cccc(NC(=O)[C@@]3(C)CCC[NH2+]C3)c2)NC(=O)[N-]C1=O ZINC000161413128 206346952 /nfs/dbraw/zinc/34/69/52/206346952.db2.gz FGWINQZYNQYZAX-DLBZAZTESA-N 0 3 330.388 1.069 20 70 EDIDHN CCC(C)(C)NC(=O)[C@H](C)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000159363311 441806747 /nfs/dbraw/zinc/80/67/47/441806747.db2.gz DSRRUMKVOSKUPJ-DZGCQCFKSA-N 0 3 338.496 1.094 20 70 EDIDHN CC(C)N(CCN(C)C)C(=O)NCCCc1nnc2ccccn21 ZINC000159443519 441813540 /nfs/dbraw/zinc/81/35/40/441813540.db2.gz UDCPJSBABNJUBP-UHFFFAOYSA-N 0 3 332.452 1.644 20 70 EDIDHN CCOCCC1(CNC(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000159667674 441828954 /nfs/dbraw/zinc/82/89/54/441828954.db2.gz RNUIGGXFLVJKFN-INIZCTEOSA-N 0 3 340.512 1.376 20 70 EDIDHN CCN(C(=O)N[C@@H]1CCN(C)C1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000160339535 441874229 /nfs/dbraw/zinc/87/42/29/441874229.db2.gz YPROSABIIOIOII-IAGOWNOFSA-N 0 3 344.459 1.523 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1ncccc1OCC(F)F ZINC000160686760 441909469 /nfs/dbraw/zinc/90/94/69/441909469.db2.gz AKZARGGTKPSAPA-LBPRGKRZSA-N 0 3 343.374 1.302 20 70 EDIDHN CCCN1CCCN(C(=O)CN2c3ccccc3O[C@H](C)C2=O)CC1 ZINC000160405423 441877699 /nfs/dbraw/zinc/87/76/99/441877699.db2.gz AUHNFVONEZTSFC-OAHLLOKOSA-N 0 3 345.443 1.745 20 70 EDIDHN CCOC(=O)C[C@H](C)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000160528673 441893012 /nfs/dbraw/zinc/89/30/12/441893012.db2.gz PICLWOXNDLOFIT-INIZCTEOSA-N 0 3 347.459 1.657 20 70 EDIDHN Cc1ccc2c(c1)[C@@H](NC(=O)NC1CCN(CCN(C)C)CC1)CO2 ZINC000160941770 441939333 /nfs/dbraw/zinc/93/93/33/441939333.db2.gz YDPYHULXFCWOQE-KRWDZBQOSA-N 0 3 346.475 1.754 20 70 EDIDHN CC(C)N(C)CC(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000160087608 528809491 /nfs/dbraw/zinc/80/94/91/528809491.db2.gz PTISQWMPJQZLEY-UHFFFAOYSA-N 0 3 329.448 1.547 20 70 EDIDHN O=C(CN1CCN(c2ccncc2)CC1)Nc1ccc2c(c1)OCO2 ZINC000161296466 540032823 /nfs/dbraw/zinc/03/28/23/540032823.db2.gz BHJGOXVVQQTIJX-UHFFFAOYSA-N 0 3 340.383 1.571 20 70 EDIDHN O=C([C@@H]1CCCCN1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000159675742 206257815 /nfs/dbraw/zinc/25/78/15/206257815.db2.gz CGRMMKRUGIVXRN-HNNXBMFYSA-N 0 3 335.835 1.653 20 70 EDIDHN COc1ccc2c(c1)C=C(C(=O)NC[C@H](O)CN1CCCCC1)CO2 ZINC000160236237 206286994 /nfs/dbraw/zinc/28/69/94/206286994.db2.gz KBTBDWPPUXLNJZ-INIZCTEOSA-N 0 3 346.427 1.434 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cccc(NC(=O)C2CC2)c1 ZINC000160329831 206291783 /nfs/dbraw/zinc/29/17/83/206291783.db2.gz BIWLEZCQLKYRLX-QGZVFWFLSA-N 0 3 345.443 1.612 20 70 EDIDHN CCN1CCN(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000160377630 206294612 /nfs/dbraw/zinc/29/46/12/206294612.db2.gz BKEZMBFXNFKQNP-SJLPKXTDSA-N 0 3 330.476 1.997 20 70 EDIDHN Cc1nn(CC(=O)NC[C@H](O)CN2CCCCC2)c(C)c1Cl ZINC000160470291 272929802 /nfs/dbraw/zinc/92/98/02/272929802.db2.gz WCFHAOWDMFDPSC-ZDUSSCGKSA-N 0 3 328.844 1.116 20 70 EDIDHN CCN1CCCN(C(=O)NCCN2CCc3sccc3C2)CC1 ZINC000159735184 276366832 /nfs/dbraw/zinc/36/68/32/276366832.db2.gz JLEMCAIXFROLOR-UHFFFAOYSA-N 0 3 336.505 1.843 20 70 EDIDHN CN(C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000161366306 276873482 /nfs/dbraw/zinc/87/34/82/276873482.db2.gz YNDZRTCLHJDFAQ-UWVGGRQHSA-N 0 3 330.354 1.696 20 70 EDIDHN O=C(NCC1CCN(CCO)CC1)c1cccc(-n2ccnc2)c1 ZINC000160579413 441898734 /nfs/dbraw/zinc/89/87/34/441898734.db2.gz NOPAFSVPJMATCT-UHFFFAOYSA-N 0 3 328.416 1.306 20 70 EDIDHN Cc1cccc2c1CC[C@@H]2NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160962681 441941189 /nfs/dbraw/zinc/94/11/89/441941189.db2.gz MHTCRDOYIYJFTQ-SFHVURJKSA-N 0 3 337.423 1.987 20 70 EDIDHN COCCNCC(=O)NC[C@@H](C)Oc1ccccc1Br ZINC000161144965 441963343 /nfs/dbraw/zinc/96/33/43/441963343.db2.gz QWDGIOAPZKFPHJ-LLVKDONJSA-N 0 3 345.237 1.569 20 70 EDIDHN Cc1ccc(CNC(=O)C(C)S(=O)(=O)Cc2nccn2C)cc1 ZINC000161168068 441966193 /nfs/dbraw/zinc/96/61/93/441966193.db2.gz VNHPNSHUCHMUJM-CYBMUJFWSA-N 0 3 335.429 1.348 20 70 EDIDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000161386971 441993533 /nfs/dbraw/zinc/99/35/33/441993533.db2.gz JFBVEMWIANIGIL-QWHCGFSZSA-N 0 3 349.397 1.778 20 70 EDIDHN CCC(=O)N1CC[C@@H](C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000161091238 318423507 /nfs/dbraw/zinc/42/35/07/318423507.db2.gz SDQZTIUQRXFKAS-MRXNPFEDSA-N 0 3 347.459 1.502 20 70 EDIDHN C[C@@H](Oc1ccccc1Cl)C(=O)NCC1CCN(CCO)CC1 ZINC000160690054 138640951 /nfs/dbraw/zinc/64/09/51/138640951.db2.gz BXUSRRYRAHTAHY-CYBMUJFWSA-N 0 3 340.851 1.928 20 70 EDIDHN CCN1CCCN(C(=O)NCCn2c3ccccc3[nH]c2=O)CC1 ZINC000159955208 206271345 /nfs/dbraw/zinc/27/13/45/206271345.db2.gz SSQGWCUKGHMLGZ-UHFFFAOYSA-N 0 3 331.420 1.067 20 70 EDIDHN CN(C)Cc1ccc(C(=O)NCc2cccc(S(N)(=O)=O)c2)cc1 ZINC000159996854 206274433 /nfs/dbraw/zinc/27/44/33/206274433.db2.gz QPVVCWOEXSADRF-UHFFFAOYSA-N 0 3 347.440 1.326 20 70 EDIDHN Cc1conc1NC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000160185281 206283556 /nfs/dbraw/zinc/28/35/56/206283556.db2.gz PFCJZVSTXHXWEB-UHFFFAOYSA-N 0 3 342.399 1.486 20 70 EDIDHN O=C(Cc1ccc(OC(F)F)cc1)NC[C@@H](O)CN1CCCCC1 ZINC000160260033 206287039 /nfs/dbraw/zinc/28/70/39/206287039.db2.gz WPDKMQWRXWYIOH-CQSZACIVSA-N 0 3 342.386 1.794 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1c[nH]nc1-c1ccccc1F ZINC000160281925 206288814 /nfs/dbraw/zinc/28/88/14/206288814.db2.gz OJTKHUFQQRJFTJ-ZDUSSCGKSA-N 0 3 346.406 1.792 20 70 EDIDHN Cc1nn(C)c(Cl)c1/C=C/C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160548483 206303789 /nfs/dbraw/zinc/30/37/89/206303789.db2.gz XEOCCSXIVMJSKO-YBJDMEARSA-N 0 3 340.855 1.358 20 70 EDIDHN Cc1nn(C(F)F)c(C)c1CC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160546737 206303826 /nfs/dbraw/zinc/30/38/26/206303826.db2.gz ZTQACUZOMONZFW-CYBMUJFWSA-N 0 3 344.406 1.401 20 70 EDIDHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H](C)C1CCOCC1 ZINC000161088421 206328445 /nfs/dbraw/zinc/32/84/45/206328445.db2.gz WRDBXVKASBYHBD-CQSZACIVSA-N 0 3 347.459 1.926 20 70 EDIDHN CN(C)C(=O)CN(C)C(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000161502124 206353498 /nfs/dbraw/zinc/35/34/98/206353498.db2.gz DFYYFYNUUYHFMR-UHFFFAOYSA-N 0 3 331.460 1.835 20 70 EDIDHN CCCNC(=O)C(C)S(=O)(=O)Cc1noc(C2CCCCC2)n1 ZINC000159383021 441808245 /nfs/dbraw/zinc/80/82/45/441808245.db2.gz PABNQDPCMBDIAA-LLVKDONJSA-N 0 3 343.449 1.947 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000160367991 441874723 /nfs/dbraw/zinc/87/47/23/441874723.db2.gz BOBMJHJWWYESHE-CYBMUJFWSA-N 0 3 347.390 1.244 20 70 EDIDHN O=C(C[C@@H]1CCOc2ccccc21)NC[C@H](O)CN1CCCCC1 ZINC000160232222 441867075 /nfs/dbraw/zinc/86/70/75/441867075.db2.gz LEBWGGROMAFPKR-HOTGVXAUSA-N 0 3 332.444 1.906 20 70 EDIDHN COCCN1CCC(NC(=O)NC[C@H](C)c2c(C)noc2C)CC1 ZINC000159729326 441833409 /nfs/dbraw/zinc/83/34/09/441833409.db2.gz PVLPVHITUVEOAD-LBPRGKRZSA-N 0 3 338.452 1.805 20 70 EDIDHN COCCCNC(=O)[C@H](C)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159935521 441847143 /nfs/dbraw/zinc/84/71/43/441847143.db2.gz BESDHUPRPGGLTC-KBPBESRZSA-N 0 3 331.420 1.459 20 70 EDIDHN O=C(NCC1CCN(CCO)CC1)c1ccc(Br)cc1 ZINC000160609988 441902523 /nfs/dbraw/zinc/90/25/23/441902523.db2.gz LJFSOFWXSGAPJY-UHFFFAOYSA-N 0 3 341.249 1.883 20 70 EDIDHN O=C(COc1ccc(Cl)cc1)NCC1CCN(CCO)CC1 ZINC000160630717 441903698 /nfs/dbraw/zinc/90/36/98/441903698.db2.gz FBTWBJAQTGCBHC-UHFFFAOYSA-N 0 3 326.824 1.539 20 70 EDIDHN CN(C)C(=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000160637357 441904350 /nfs/dbraw/zinc/90/43/50/441904350.db2.gz VEOPPMJMHXKKPF-HNNXBMFYSA-N 0 3 341.415 1.357 20 70 EDIDHN O=C(CCc1cc(F)ccc1F)NCC1CCN(CCO)CC1 ZINC000160647434 441905679 /nfs/dbraw/zinc/90/56/79/441905679.db2.gz ASDGIDRQEYTDHE-UHFFFAOYSA-N 0 3 326.387 1.718 20 70 EDIDHN O=C(C[C@@H]1CCOc2ccccc21)NCC1CCN(CCO)CC1 ZINC000160539368 441893920 /nfs/dbraw/zinc/89/39/20/441893920.db2.gz CGTUOPNAFMCRDJ-INIZCTEOSA-N 0 3 332.444 1.763 20 70 EDIDHN Cc1c(C(=O)NC[C@@H](O)CN2CCCCC2)cnn1-c1ccccn1 ZINC000160567966 441897723 /nfs/dbraw/zinc/89/77/23/441897723.db2.gz NPHPEWFFVHZBHE-OAHLLOKOSA-N 0 3 343.431 1.152 20 70 EDIDHN Cc1cc(C(=O)NCC2CCN(CCO)CC2)nn1-c1ccccc1 ZINC000160594795 441900145 /nfs/dbraw/zinc/90/01/45/441900145.db2.gz NJVFZBPBMNWWDR-UHFFFAOYSA-N 0 3 342.443 1.615 20 70 EDIDHN CC(C)[C@@H](NCC(=O)N1CCN(C)CC1)c1ccc2c(c1)OCCO2 ZINC000161477482 442003642 /nfs/dbraw/zinc/00/36/42/442003642.db2.gz HIXGEPMVUXCOBV-LJQANCHMSA-N 0 3 347.459 1.519 20 70 EDIDHN Cc1nn(C)c(C)c1NC(=O)CN1CCN(c2ccncc2)CC1 ZINC000161372312 540033373 /nfs/dbraw/zinc/03/33/73/540033373.db2.gz ZROGHCSOMBISRL-UHFFFAOYSA-N 0 3 328.420 1.193 20 70 EDIDHN Cc1cccc(OCCCC(=O)NCC2CCN(CCO)CC2)c1 ZINC000160633278 138640786 /nfs/dbraw/zinc/64/07/86/138640786.db2.gz MBEODPVYCPTPDD-UHFFFAOYSA-N 0 3 334.460 1.975 20 70 EDIDHN COCCCOc1cccc(CNC(=O)NC2CCN(C)CC2)c1 ZINC000159566598 206253283 /nfs/dbraw/zinc/25/32/83/206253283.db2.gz XHXFXXBUJRPPDF-UHFFFAOYSA-N 0 3 335.448 1.995 20 70 EDIDHN COCCN(C)CCCNC(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000159801137 206263918 /nfs/dbraw/zinc/26/39/18/206263918.db2.gz UEZIAXZGZHKXLE-UHFFFAOYSA-N 0 3 335.379 1.365 20 70 EDIDHN O=C(Cc1cc(F)c(F)cc1F)NC[C@@H](O)CN1CCCCC1 ZINC000160282840 206288323 /nfs/dbraw/zinc/28/83/23/206288323.db2.gz GWXNWLMIKWVDPT-GFCCVEGCSA-N 0 3 330.350 1.609 20 70 EDIDHN Cc1cc(Cl)ccc1OCC(=O)NC[C@H](O)CN1CCCCC1 ZINC000160312445 206289534 /nfs/dbraw/zinc/28/95/34/206289534.db2.gz AGRZJPQFIRFPQC-HNNXBMFYSA-N 0 3 340.851 1.990 20 70 EDIDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(NS(C)(=O)=O)cc1)CC2 ZINC000160433531 206297847 /nfs/dbraw/zinc/29/78/47/206297847.db2.gz QHEWXKWORUGWOW-IAQYHMDHSA-N 0 3 349.460 1.624 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000160501514 206300814 /nfs/dbraw/zinc/30/08/14/206300814.db2.gz APLAHWJLEGPSBA-QGZVFWFLSA-N 0 3 345.443 1.390 20 70 EDIDHN CSCC[C@H](N)C(=O)NC[C@H](O)c1cccc(OC(C)C)c1 ZINC000160965166 206321303 /nfs/dbraw/zinc/32/13/03/206321303.db2.gz CUOONAPCVHBZIZ-GJZGRUSLSA-N 0 3 326.462 1.704 20 70 EDIDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@H](N(C)C)C2)CC1 ZINC000161331583 287157059 /nfs/dbraw/zinc/15/70/59/287157059.db2.gz KWRKLMVUOPKZAL-YJBOKZPZSA-N 0 3 345.491 1.953 20 70 EDIDHN Cn1cc(-c2ncc(C(=O)NC[C@@H](O)CN3CCCCC3)s2)cn1 ZINC000160466743 272929743 /nfs/dbraw/zinc/92/97/43/272929743.db2.gz GAGZIYPRTITUCZ-CYBMUJFWSA-N 0 3 349.460 1.120 20 70 EDIDHN CC(C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)S(=O)(=O)Cc1nccn1C ZINC000161195157 298174892 /nfs/dbraw/zinc/17/48/92/298174892.db2.gz CGBAFJIKMWKOBI-AAVRWANBSA-N 0 3 341.477 1.664 20 70 EDIDHN COCCc1noc(CN(C)C(=O)N[C@@H](C)CN2CCCCC2)n1 ZINC000160303156 302921469 /nfs/dbraw/zinc/92/14/69/302921469.db2.gz FULHHTGPGZQOGF-ZDUSSCGKSA-N 0 3 339.440 1.274 20 70 EDIDHN CCN1CCCN(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000159663993 441827196 /nfs/dbraw/zinc/82/71/96/441827196.db2.gz BVLBYKFJCGGBMM-CYBMUJFWSA-N 0 3 336.402 1.608 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1cccnc1N1CCCC1 ZINC000160063423 441856695 /nfs/dbraw/zinc/85/66/95/441856695.db2.gz KYJDLAWXNVEOHZ-HNNXBMFYSA-N 0 3 332.448 1.258 20 70 EDIDHN CCCN1CCCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)CC1 ZINC000160392355 441876404 /nfs/dbraw/zinc/87/64/04/441876404.db2.gz QWJSANWIEJFUTC-UHFFFAOYSA-N 0 3 331.338 1.952 20 70 EDIDHN C[C@H](NC(=O)C1CCCCC1)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160416044 441879672 /nfs/dbraw/zinc/87/96/72/441879672.db2.gz NTXRVSZNJVKLLZ-HOCLYGCPSA-N 0 3 339.480 1.034 20 70 EDIDHN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NC1CCN(C)CC1)CC2 ZINC000161230843 441974386 /nfs/dbraw/zinc/97/43/86/441974386.db2.gz PRMKTZGKUJUDJN-LSDHHAIUSA-N 0 3 325.453 1.042 20 70 EDIDHN CN(CCNC(=O)c1cccc2c1oc(=O)n2C)Cc1ccccc1 ZINC000160891532 441932383 /nfs/dbraw/zinc/93/23/83/441932383.db2.gz IUBPCCKSXOIUSY-UHFFFAOYSA-N 0 3 339.395 1.993 20 70 EDIDHN CC(C)c1nc2n(n1)C[C@H](NC(=O)N(C)CCN1CCCC1)CC2 ZINC000161464566 442002073 /nfs/dbraw/zinc/00/20/73/442002073.db2.gz ILMRMRXBLJNCNR-CQSZACIVSA-N 0 3 334.468 1.454 20 70 EDIDHN O=S(=O)(NCC1CCN(CCO)CC1)c1ccc2c(c1)CCC2 ZINC000161386574 441993361 /nfs/dbraw/zinc/99/33/61/441993361.db2.gz XNHGHXPBKRGCHP-UHFFFAOYSA-N 0 3 338.473 1.158 20 70 EDIDHN Cc1c(Cl)cccc1S(=O)(=O)NCC1CCN(CCO)CC1 ZINC000161398875 441995107 /nfs/dbraw/zinc/99/51/07/441995107.db2.gz YBNSGOHBRZTPBA-UHFFFAOYSA-N 0 3 346.880 1.631 20 70 EDIDHN CSCC[C@@H](N)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000159399167 533605370 /nfs/dbraw/zinc/60/53/70/533605370.db2.gz LPCUWOSRBBUSGZ-VXGBXAGGSA-N 0 3 341.864 1.642 20 70 EDIDHN COCCN(C)CCN[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000159365151 225203813 /nfs/dbraw/zinc/20/38/13/225203813.db2.gz BZTVPMLDYXWFSD-GFCCVEGCSA-N 0 3 332.441 1.458 20 70 EDIDHN C[C@H](C(=O)NC(N)=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161238067 298132493 /nfs/dbraw/zinc/13/24/93/298132493.db2.gz VXJHPQQHEYQTBZ-GFCCVEGCSA-N 0 3 329.404 1.525 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1occc1Br ZINC000160320102 441872505 /nfs/dbraw/zinc/87/25/05/441872505.db2.gz WLVFIFCDTJEGDL-SNVBAGLBSA-N 0 3 331.210 1.619 20 70 EDIDHN O=C(NCc1ccccc1CN1CCCCC1)[C@@H]1CCNC(=O)C1 ZINC000159854154 441843434 /nfs/dbraw/zinc/84/34/34/441843434.db2.gz ZUSFOOVTWQIOPI-OAHLLOKOSA-N 0 3 329.444 1.815 20 70 EDIDHN O=C(NCC1CCN(CCO)CC1)[C@@H]1SCCc2sccc21 ZINC000160685572 441909094 /nfs/dbraw/zinc/90/90/94/441909094.db2.gz AUUKKRFVGPECCR-OAHLLOKOSA-N 0 3 340.514 1.899 20 70 EDIDHN CN(C)C[C@](C)(O)CNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000160823148 441925591 /nfs/dbraw/zinc/92/55/91/441925591.db2.gz XKKLRPPTCIETLH-XYJFISCASA-N 0 3 335.448 1.519 20 70 EDIDHN O=C(CCn1ccc2ccccc21)NCC1CCN(CCO)CC1 ZINC000160555082 441896807 /nfs/dbraw/zinc/89/68/07/441896807.db2.gz CXQFPLGLIPDMAV-UHFFFAOYSA-N 0 3 329.444 1.852 20 70 EDIDHN CCC(=O)N1CC[C@@H](C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC000161033831 441949006 /nfs/dbraw/zinc/94/90/06/441949006.db2.gz MOOIWLKDAQYSGP-SJORKVTESA-N 0 3 331.460 1.972 20 70 EDIDHN CCN(CCCN1C(=O)c2ccccc2C1=O)Cc1cnn(C)c1 ZINC000161092704 441956560 /nfs/dbraw/zinc/95/65/60/441956560.db2.gz AMWXQUGOAMSSJV-UHFFFAOYSA-N 0 3 326.400 1.928 20 70 EDIDHN COCCOc1cccc(CC(=O)NCCCN2CCN(C)CC2)c1 ZINC000161173753 441967223 /nfs/dbraw/zinc/96/72/23/441967223.db2.gz WNTYLAUIYPNIPR-UHFFFAOYSA-N 0 3 349.475 1.008 20 70 EDIDHN O=C(CNC[C@H]1CCCO1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000161324277 441986054 /nfs/dbraw/zinc/98/60/54/441986054.db2.gz IVOGORHARFZAPO-QZTJIDSGSA-N 0 3 332.444 1.820 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(-c2ccco2)[nH]c1=O ZINC000159940380 534538909 /nfs/dbraw/zinc/53/89/09/534538909.db2.gz WGOKGHCVLRFTNM-CYBMUJFWSA-N 0 3 345.399 1.212 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1c(F)c(F)cc(F)c1F ZINC000160265802 534539002 /nfs/dbraw/zinc/53/90/02/534539002.db2.gz SJIJHILNFZHRKA-SECBINFHSA-N 0 3 334.313 1.820 20 70 EDIDHN CC[C@@H](C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)N(C)C ZINC000159708124 529276584 /nfs/dbraw/zinc/27/65/84/529276584.db2.gz JQWSFAOYVQXYGO-KRWDZBQOSA-N 0 3 342.443 1.793 20 70 EDIDHN CN(C)CCn1cc(NC(=O)c2csc(S(C)(=O)=O)c2)cn1 ZINC000160296713 540022664 /nfs/dbraw/zinc/02/26/64/540022664.db2.gz NJRVUIIXMZLWLK-UHFFFAOYSA-N 0 3 342.446 1.162 20 70 EDIDHN COc1c(F)ccc(F)c1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160129626 533438581 /nfs/dbraw/zinc/43/85/81/533438581.db2.gz LNCMAIXEWQMXRE-NSHDSACASA-N 0 3 328.359 1.550 20 70 EDIDHN CC(C(=O)NC1CC1)S(=O)(=O)Cc1noc(C2CCCCC2)n1 ZINC000159413971 441812117 /nfs/dbraw/zinc/81/21/17/441812117.db2.gz SZQLQSSCMHNSGO-JTQLQIEISA-N 0 3 341.433 1.699 20 70 EDIDHN CCN1CCCN(C(=O)NCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000159820846 441840138 /nfs/dbraw/zinc/84/01/38/441840138.db2.gz HONMYTZCRNMAAA-UHFFFAOYSA-N 0 3 328.457 1.591 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)c1cc2ccccc2c(=O)[nH]1 ZINC000160621459 441902900 /nfs/dbraw/zinc/90/29/00/441902900.db2.gz WGNIHRWIZBKFIH-AWEZNQCLSA-N 0 3 329.400 1.105 20 70 EDIDHN O=C(NCC1CCN(CCO)CC1)c1sccc1OC(F)F ZINC000160704898 441912032 /nfs/dbraw/zinc/91/20/32/441912032.db2.gz GAOLVARELWHXAN-UHFFFAOYSA-N 0 3 334.388 1.784 20 70 EDIDHN C[C@H]1C[C@H](NC(=O)NC[C@]2(O)CCSC2)CN1Cc1ccccc1 ZINC000160409592 441879381 /nfs/dbraw/zinc/87/93/81/441879381.db2.gz ZBHXUCIYSPFGTQ-QILLFSRXSA-N 0 3 349.500 1.817 20 70 EDIDHN CC(C)(Oc1ccc(F)cc1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160452210 441884097 /nfs/dbraw/zinc/88/40/97/441884097.db2.gz BSWKJZKAKIVYJQ-OAHLLOKOSA-N 0 3 338.423 1.946 20 70 EDIDHN O=C(CCCOc1ccc(F)cc1)NCC1CCN(CCO)CC1 ZINC000160550661 441894575 /nfs/dbraw/zinc/89/45/75/441894575.db2.gz FXARHYUPJVSILJ-UHFFFAOYSA-N 0 3 338.423 1.805 20 70 EDIDHN CC(=O)NC1CCC(NCc2cccnc2N2CCOCC2)CC1 ZINC000161272125 441979679 /nfs/dbraw/zinc/97/96/79/441979679.db2.gz AHDWHUKFLVYUOC-UHFFFAOYSA-N 0 3 332.448 1.455 20 70 EDIDHN NC(=O)CNC(=O)c1ccc(CN[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000160950389 441940670 /nfs/dbraw/zinc/94/06/70/441940670.db2.gz MWQLELNVBJHNNC-QGZVFWFLSA-N 0 3 341.386 1.818 20 70 EDIDHN CSCC[C@H](N)C(=O)NC[C@@H](O)c1ccc(OC(C)C)cc1 ZINC000160977797 441942714 /nfs/dbraw/zinc/94/27/14/441942714.db2.gz LMVNWGRCQHOTNW-LSDHHAIUSA-N 0 3 326.462 1.704 20 70 EDIDHN Cc1ccc2c(c1)[C@H](NCc1ccc(C(=O)NCC(N)=O)cc1)CC2 ZINC000161009744 441946568 /nfs/dbraw/zinc/94/65/68/441946568.db2.gz RQVUTLXTKOKDLT-GOSISDBHSA-N 0 3 337.423 1.987 20 70 EDIDHN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)NC1CCN(CC)CC1)CC2 ZINC000161285380 441980628 /nfs/dbraw/zinc/98/06/28/441980628.db2.gz AAWTUNBADGRUKD-HZPDHXFCSA-N 0 3 339.480 1.432 20 70 EDIDHN CCc1noc(C)c1NC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000160344757 318422030 /nfs/dbraw/zinc/42/20/30/318422030.db2.gz KBBNLSCNOBPPGC-LBPRGKRZSA-N 0 3 336.436 1.721 20 70 EDIDHN CCN(C)C(=O)CNC[C@H](O)COc1cccc(Br)c1 ZINC000218165643 443057704 /nfs/dbraw/zinc/05/77/04/443057704.db2.gz IXQXFIDXVYKDDI-LBPRGKRZSA-N 0 3 345.237 1.257 20 70 EDIDHN CC(C)NC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159897496 529135787 /nfs/dbraw/zinc/13/57/87/529135787.db2.gz HPWGVBDKWXZNSU-CHWSQXEVSA-N 0 3 344.419 1.541 20 70 EDIDHN CCc1n[nH]c(=O)c(CNC(=O)N2CCC[C@H](N(C)C)C2)c1CC ZINC000160344744 529695973 /nfs/dbraw/zinc/69/59/73/529695973.db2.gz XPUNFLQWKNHVNA-LBPRGKRZSA-N 0 3 335.452 1.130 20 70 EDIDHN CN1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000159464262 530055091 /nfs/dbraw/zinc/05/50/91/530055091.db2.gz LQKRLXHLRZKWPC-WDEREUQCSA-N 0 3 344.381 1.991 20 70 EDIDHN C[C@](O)(CO)CNCc1ccc(Br)c2cccnc12 ZINC000160334073 225390008 /nfs/dbraw/zinc/39/00/08/225390008.db2.gz PEDUZITZBXTYJP-CQSZACIVSA-N 0 3 325.206 1.830 20 70 EDIDHN Cc1cc(F)ccc1S(=O)(=O)NCC1CCN(CCO)CC1 ZINC000161410791 267509493 /nfs/dbraw/zinc/50/94/93/267509493.db2.gz NPFCLMISSMVABJ-UHFFFAOYSA-N 0 3 330.425 1.117 20 70 EDIDHN COc1cccc2c1OCC(C(=O)NC[C@H](O)CN1CCCCC1)=C2 ZINC000160437552 272929614 /nfs/dbraw/zinc/92/96/14/272929614.db2.gz UMUUQNHRPQEIOT-INIZCTEOSA-N 0 3 346.427 1.434 20 70 EDIDHN CCC(=O)c1ccc(OCC(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000160313738 441870933 /nfs/dbraw/zinc/87/09/33/441870933.db2.gz UVPPETXUDNETCV-MRXNPFEDSA-N 0 3 348.443 1.621 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(OC(F)F)cc1 ZINC000160605086 441900670 /nfs/dbraw/zinc/90/06/70/441900670.db2.gz VAUOAIGMEOVPPA-CYBMUJFWSA-N 0 3 328.359 1.865 20 70 EDIDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCN(c2cccc(O)c2)CC1 ZINC000160659593 441906201 /nfs/dbraw/zinc/90/62/01/441906201.db2.gz DWVBGNOUHAOKPJ-MRXNPFEDSA-N 0 3 344.459 1.708 20 70 EDIDHN Cc1cc(Br)oc1C(=O)NCC1CCN(CCO)CC1 ZINC000160666266 441907247 /nfs/dbraw/zinc/90/72/47/441907247.db2.gz KDZJRCDMKCOGIW-UHFFFAOYSA-N 0 3 345.237 1.785 20 70 EDIDHN C[C@@H](NC(=O)[C@]1(F)CCNC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000160760187 441917860 /nfs/dbraw/zinc/91/78/60/441917860.db2.gz XBCBYBWCYAFHRX-OTYXRUKQSA-N 0 3 332.372 1.108 20 70 EDIDHN CC(=O)Nc1ccc(/C=C/C(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160375516 441875574 /nfs/dbraw/zinc/87/55/74/441875574.db2.gz PTSOKKJTHSVTOQ-HKMNZKMDSA-N 0 3 345.443 1.621 20 70 EDIDHN COc1ccc(CCCC(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160448865 441884175 /nfs/dbraw/zinc/88/41/75/441884175.db2.gz GNDZTVWVJPFGCG-KRWDZBQOSA-N 0 3 334.460 1.981 20 70 EDIDHN CCOCCO[C@H]1CCN(C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000160553556 441896256 /nfs/dbraw/zinc/89/62/56/441896256.db2.gz QMNHYNDEOZQATA-AWEZNQCLSA-N 0 3 339.440 1.104 20 70 EDIDHN CC(C(=O)N1CCc2ccccc2C1)S(=O)(=O)Cc1nccn1C ZINC000161204397 441971999 /nfs/dbraw/zinc/97/19/99/441971999.db2.gz NKULNCOTMUZLCV-CYBMUJFWSA-N 0 3 347.440 1.308 20 70 EDIDHN CCN(C)CCNC(=O)C(=O)Nc1cnn(-c2ccccc2F)c1C ZINC000161253319 441977127 /nfs/dbraw/zinc/97/71/27/441977127.db2.gz CHMBFBZFPSUBOB-UHFFFAOYSA-N 0 3 347.394 1.326 20 70 EDIDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1cccc(=O)n1C ZINC000161009006 441946752 /nfs/dbraw/zinc/94/67/52/441946752.db2.gz BSUIIZIGNKLYHV-UHFFFAOYSA-N 0 3 331.391 1.728 20 70 EDIDHN Cc1conc1NC(=O)C(=O)N[C@H]1CCCN(C2CCCCC2)C1 ZINC000161133324 441960411 /nfs/dbraw/zinc/96/04/11/441960411.db2.gz RPGLYPJIUSQCNQ-ZDUSSCGKSA-N 0 3 334.420 1.835 20 70 EDIDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C2CCC(C)(C)CC2)CC1 ZINC000161316863 441984687 /nfs/dbraw/zinc/98/46/87/441984687.db2.gz DPUWVRWRDTWMQH-MRXNPFEDSA-N 0 3 335.492 1.968 20 70 EDIDHN Cc1c(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cccc1N1CCNC1=O ZINC000161330089 441986202 /nfs/dbraw/zinc/98/62/02/441986202.db2.gz BJQRJHWVMXNGQS-BBRMVZONSA-N 0 3 344.459 1.983 20 70 EDIDHN COc1cc(/C=C\C(=O)NC2CCN(C)CC2)cc(OC)c1OC ZINC000218236535 443057773 /nfs/dbraw/zinc/05/77/73/443057773.db2.gz DPKGROJZBMGHEQ-WAYWQWQTSA-N 0 3 334.416 1.936 20 70 EDIDHN COC1CCN(CCNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000161153199 540030949 /nfs/dbraw/zinc/03/09/49/540030949.db2.gz QTRNWEIRIYXOAO-XHSDSOJGSA-N 0 3 337.464 1.354 20 70 EDIDHN COc1ccnc(N[C@@H](Cc2ccccc2)C(=O)NCCN(C)C)n1 ZINC000161391237 302926384 /nfs/dbraw/zinc/92/63/84/302926384.db2.gz YBJAQIBMMPSJEQ-HNNXBMFYSA-N 0 3 343.431 1.186 20 70 EDIDHN O=C(NC[C@@H](O)CN1CCCCC1)[C@@H]1SCCc2ccccc21 ZINC000160346428 303784882 /nfs/dbraw/zinc/78/48/82/303784882.db2.gz MHOVSQNYNDAQTN-NVXWUHKLSA-N 0 3 334.485 1.980 20 70 EDIDHN CCC(CC)(CNCC(=O)N1CCO[C@@H]2CCCC[C@@H]21)C(=O)OC ZINC000159672576 441829289 /nfs/dbraw/zinc/82/92/89/441829289.db2.gz KKSHBNOPCXPQIN-LSDHHAIUSA-N 0 3 340.464 1.725 20 70 EDIDHN CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000160829418 441926253 /nfs/dbraw/zinc/92/62/53/441926253.db2.gz FCVLPPBHTZFDKG-STQMWFEESA-N 0 3 329.404 1.757 20 70 EDIDHN CN(C)C(=O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000160637220 441904427 /nfs/dbraw/zinc/90/44/27/441904427.db2.gz VEOPPMJMHXKKPF-OAHLLOKOSA-N 0 3 341.415 1.357 20 70 EDIDHN CC(C)Cn1ncc(C(=O)NCC2CCN(CCO)CC2)c1C1CC1 ZINC000160757222 441918358 /nfs/dbraw/zinc/91/83/58/441918358.db2.gz XNFRFEMDDYYIEI-UHFFFAOYSA-N 0 3 348.491 1.851 20 70 EDIDHN CCc1c(C(=O)NC[C@@H](O)CN2CCCCC2)cnn1CC(C)C ZINC000160428655 441881524 /nfs/dbraw/zinc/88/15/24/441881524.db2.gz ZMZDSSGHNOEFTI-OAHLLOKOSA-N 0 3 336.480 1.678 20 70 EDIDHN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NCC1CCN(CCO)CC1 ZINC000160579560 441899124 /nfs/dbraw/zinc/89/91/24/441899124.db2.gz OLYJTFJGPOXWAA-CYBMUJFWSA-N 0 3 336.480 1.036 20 70 EDIDHN CC(C(=O)NCCc1cccs1)S(=O)(=O)Cc1nccn1C ZINC000161196353 441970105 /nfs/dbraw/zinc/97/01/05/441970105.db2.gz DKRYLNLRRORBAJ-NSHDSACASA-N 0 3 341.458 1.144 20 70 EDIDHN CC[C@H](N)C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C)CC1 ZINC000161252848 441977566 /nfs/dbraw/zinc/97/75/66/441977566.db2.gz UKGCBVBUTPDOSJ-CABCVRRESA-N 0 3 333.432 1.170 20 70 EDIDHN CNCC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1 ZINC000161263356 441978425 /nfs/dbraw/zinc/97/84/25/441978425.db2.gz ACMCXFYHIQQLCU-KRWDZBQOSA-N 0 3 325.412 1.596 20 70 EDIDHN CC[C@](C)(O)CN1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000161092279 441956721 /nfs/dbraw/zinc/95/67/21/441956721.db2.gz SJFUVBNYNCNLBY-LBPRGKRZSA-N 0 3 346.415 1.436 20 70 EDIDHN O=C(CN1CCN(c2ccncc2)CC1)NC(=O)Nc1ccccc1 ZINC000161368841 441990969 /nfs/dbraw/zinc/99/09/69/441990969.db2.gz KHJVZCNXGODKGN-UHFFFAOYSA-N 0 3 339.399 1.552 20 70 EDIDHN CN(C)C[C@H]1CN(C(=O)Nc2cccc(-c3ncn(C)n3)c2)CCO1 ZINC000161433771 441999711 /nfs/dbraw/zinc/99/97/11/441999711.db2.gz VRUXGXNXYIBOLA-HNNXBMFYSA-N 0 3 344.419 1.276 20 70 EDIDHN CN(Cc1ccc([S@@](C)=O)cc1)C(=O)C1(N)Cc2ccccc2C1 ZINC000161466363 442003314 /nfs/dbraw/zinc/00/33/14/442003314.db2.gz GTOBDVAWFIJWTR-DEOSSOPVSA-N 0 3 342.464 1.879 20 70 EDIDHN CN(CCCOc1ccc(S(C)(=O)=O)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159813643 529895471 /nfs/dbraw/zinc/89/54/71/529895471.db2.gz ITRONBMNJWCDKG-YOEHRIQHSA-N 0 3 341.473 1.952 20 70 EDIDHN COc1cccc(NC(=O)CN2CCN(c3ccncc3)CC2)c1 ZINC000161292347 540032187 /nfs/dbraw/zinc/03/21/87/540032187.db2.gz KZELMSVFMRGZIP-UHFFFAOYSA-N 0 3 326.400 1.851 20 70 EDIDHN COc1cccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1[O-] ZINC000159450417 533404797 /nfs/dbraw/zinc/40/47/97/533404797.db2.gz ZBZAOFIYJHUTFG-HOTGVXAUSA-N 0 3 348.443 1.899 20 70 EDIDHN O=C(CSc1ccc(F)cc1)NC[C@H](O)CN1CCCCC1 ZINC000160455142 272929717 /nfs/dbraw/zinc/92/97/17/272929717.db2.gz MTBAGYCKVHCPFY-AWEZNQCLSA-N 0 3 326.437 1.881 20 70 EDIDHN CCc1c(C(=O)NC[C@@H](O)CN2CCCCC2)[nH]c(C)c1C(C)=O ZINC000160492118 272929861 /nfs/dbraw/zinc/92/98/61/272929861.db2.gz HOEOWIYDNNWHTI-CQSZACIVSA-N 0 3 335.448 1.665 20 70 EDIDHN CCN1CCCN(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000159579191 441822976 /nfs/dbraw/zinc/82/29/76/441822976.db2.gz KBIZOAXINPCSHM-IYBDPMFKSA-N 0 3 326.485 1.223 20 70 EDIDHN COCCN(CCOC)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000159986552 441852065 /nfs/dbraw/zinc/85/20/65/441852065.db2.gz GIZFVBDKMWGKQO-AEFFLSMTSA-N 0 3 349.475 1.811 20 70 EDIDHN Cc1nc(CN(C)CC(=O)NC[C@@H](c2ccccc2)N(C)C)no1 ZINC000160653171 441905172 /nfs/dbraw/zinc/90/51/72/441905172.db2.gz GGIOVWQKZGMCCQ-HNNXBMFYSA-N 0 3 331.420 1.229 20 70 EDIDHN Cc1nc(CN(C)CC(=O)NC[C@H](c2ccccc2)N(C)C)no1 ZINC000160653285 441906097 /nfs/dbraw/zinc/90/60/97/441906097.db2.gz GGIOVWQKZGMCCQ-OAHLLOKOSA-N 0 3 331.420 1.229 20 70 EDIDHN COc1ccc2c(ccn2CC(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160667742 441906736 /nfs/dbraw/zinc/90/67/36/441906736.db2.gz UHRSLLGWSKQKMO-INIZCTEOSA-N 0 3 345.443 1.613 20 70 EDIDHN C[C@H]1CCO[C@H]1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000160405221 441877737 /nfs/dbraw/zinc/87/77/37/441877737.db2.gz SSYNETKDZREKES-WMLDXEAASA-N 0 3 332.448 1.217 20 70 EDIDHN CN1CCN(CCCCNC(=O)c2c(F)cc(F)cc2F)CC1 ZINC000160406504 441879082 /nfs/dbraw/zinc/87/90/82/441879082.db2.gz JWSIJPACQXAHRG-UHFFFAOYSA-N 0 3 329.366 1.861 20 70 EDIDHN O=C(NCC1CCN(CCO)CC1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000160549595 441894662 /nfs/dbraw/zinc/89/46/62/441894662.db2.gz QBOWSBCVXKBAPK-HNNXBMFYSA-N 0 3 349.406 1.072 20 70 EDIDHN C[C@H](NCc1cccc(C(=O)NCCN(C)C)c1)c1cnccn1 ZINC000161240463 441976037 /nfs/dbraw/zinc/97/60/37/441976037.db2.gz FFBKXDZCAWBEGP-AWEZNQCLSA-N 0 3 327.432 1.619 20 70 EDIDHN CN(C)CCOc1ccccc1CNC(=O)[C@H]1CCn2ccnc2C1 ZINC000160993253 441945667 /nfs/dbraw/zinc/94/56/67/441945667.db2.gz HBVSLMVTTJPICW-HNNXBMFYSA-N 0 3 342.443 1.702 20 70 EDIDHN CC(C)[C@H](N)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1=O ZINC000161013242 441946431 /nfs/dbraw/zinc/94/64/31/441946431.db2.gz NVGYAOOMVLGJCM-MFKMUULPSA-N 0 3 341.358 1.493 20 70 EDIDHN Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN(C)C1CCCCC1 ZINC000161080223 441953842 /nfs/dbraw/zinc/95/38/42/441953842.db2.gz YKDMJBVWVRXNDQ-UHFFFAOYSA-N 0 3 339.461 1.845 20 70 EDIDHN O=C(CCCOc1cccc(F)c1)NC[C@@H](O)CN1CCCCC1 ZINC000159990358 534369238 /nfs/dbraw/zinc/36/92/38/534369238.db2.gz ULQPYRQMLSGYCW-MRXNPFEDSA-N 0 3 338.423 1.948 20 70 EDIDHN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CCCCN1)CC2 ZINC000160883454 528385791 /nfs/dbraw/zinc/38/57/91/528385791.db2.gz IRLZFNDKSVBWLR-CQSZACIVSA-N 0 3 337.445 1.016 20 70 EDIDHN CCN1CCCN(C(=O)NCCNC(=O)c2ccccc2F)CC1 ZINC000159727697 529025146 /nfs/dbraw/zinc/02/51/46/529025146.db2.gz GIDKZEAGUNJPDQ-UHFFFAOYSA-N 0 3 336.411 1.293 20 70 EDIDHN CCN1CCCN(C(=O)NCc2ccnc(N3CCCC3)c2)CC1 ZINC000159581732 529029098 /nfs/dbraw/zinc/02/90/98/529029098.db2.gz KCEHEGVRVMCYOB-UHFFFAOYSA-N 0 3 331.464 1.919 20 70 EDIDHN CN(c1ccccc1CN1CCC[C@@H]1C(N)=O)C1CCN(C)CC1 ZINC000160343776 530036968 /nfs/dbraw/zinc/03/69/68/530036968.db2.gz KVZSFLQPJAWCIR-GOSISDBHSA-N 0 3 330.476 1.667 20 70 EDIDHN CNC(=O)c1cccc(CCC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1 ZINC000159453931 540009570 /nfs/dbraw/zinc/00/95/70/540009570.db2.gz OJGUMKPUOWWQDM-SJORKVTESA-N 0 3 329.444 1.674 20 70 EDIDHN O=C(CN1CCN(c2ccncc2)CC1)N1CCc2ccccc2C1 ZINC000161297354 540032693 /nfs/dbraw/zinc/03/26/93/540032693.db2.gz ZFCIWLXNEJLEFO-UHFFFAOYSA-N 0 3 336.439 1.789 20 70 EDIDHN C[C@@H]1C[C@@H](NC(=O)N2CCn3cnnc3C2)CN1Cc1ccccc1 ZINC000159912679 533614606 /nfs/dbraw/zinc/61/46/06/533614606.db2.gz KMELPOIPGONJID-GDBMZVCRSA-N 0 3 340.431 1.466 20 70 EDIDHN Cc1onc(-c2ccncc2)c1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160282468 225379282 /nfs/dbraw/zinc/37/92/82/225379282.db2.gz DAEXPKXRCFOKSZ-HNNXBMFYSA-N 0 3 344.415 1.622 20 70 EDIDHN O=C(NC[C@H](O)CN1CCCCC1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000160075417 225331288 /nfs/dbraw/zinc/33/12/88/225331288.db2.gz UZJNOLAQJDHPIZ-ZFWWWQNUSA-N 0 3 349.406 1.215 20 70 EDIDHN Cc1cccc(NC(=O)NCC(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160370541 272929612 /nfs/dbraw/zinc/92/96/12/272929612.db2.gz GRNIBLUEMTWFQX-MRXNPFEDSA-N 0 3 348.447 1.080 20 70 EDIDHN COc1ccc2c(c1)C[C@@H](C(=O)NC[C@@H](O)CN1CCCCC1)CO2 ZINC000160378760 277960237 /nfs/dbraw/zinc/96/02/37/277960237.db2.gz RGVDHDPJSPEACC-HZPDHXFCSA-N 0 3 348.443 1.209 20 70 EDIDHN CCN1CCCN(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000159572338 279285096 /nfs/dbraw/zinc/28/50/96/279285096.db2.gz CINDUIIIWONFQK-IYBDPMFKSA-N 0 3 340.512 1.611 20 70 EDIDHN COC(=O)c1ccc(CN2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000159377534 441807422 /nfs/dbraw/zinc/80/74/22/441807422.db2.gz JAJULTRYAJAXEX-QGZVFWFLSA-N 0 3 345.443 1.387 20 70 EDIDHN CCN1CCCN(C(=O)NCCC(=O)Nc2ccc(C)cn2)CC1 ZINC000159794992 441837734 /nfs/dbraw/zinc/83/77/34/441837734.db2.gz QAMGPWZAWRMECB-UHFFFAOYSA-N 0 3 333.436 1.456 20 70 EDIDHN CCCCN1CCCC[C@@H]1CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000161241447 441976350 /nfs/dbraw/zinc/97/63/50/441976350.db2.gz DYJXCHNUJHZSTJ-OWCLPIDISA-N 0 3 347.525 1.585 20 70 EDIDHN COCCNCC(=O)NCc1ccc(OC)cc1OC1CCCC1 ZINC000160902116 441933999 /nfs/dbraw/zinc/93/39/99/441933999.db2.gz JSGLJOXVLOHDFX-UHFFFAOYSA-N 0 3 336.432 1.869 20 70 EDIDHN CSCC[C@H](N)C(=O)N1CCC(CN2CCCCC2=O)CC1 ZINC000161064337 441951977 /nfs/dbraw/zinc/95/19/77/441951977.db2.gz PLMRPSPJIMBBIF-AWEZNQCLSA-N 0 3 327.494 1.318 20 70 EDIDHN C[NH+](C)C[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000161418140 441998452 /nfs/dbraw/zinc/99/84/52/441998452.db2.gz YNHHXANJGRQAPX-LBPRGKRZSA-N 0 3 341.260 1.584 20 70 EDIDHN CCn1cnnc1[C@H]1CCCN(Cc2cc(=O)n3ccccc3n2)C1 ZINC000161297771 441982575 /nfs/dbraw/zinc/98/25/75/441982575.db2.gz IFTKZRMQNVBAPO-AWEZNQCLSA-N 0 3 338.415 1.686 20 70 EDIDHN CC[C@@H](C(=O)N1CCCN(C(=O)c2ccc(OC)cc2)CC1)N(C)C ZINC000161336474 441987075 /nfs/dbraw/zinc/98/70/75/441987075.db2.gz MSKXIOUVSSLUHO-KRWDZBQOSA-N 0 3 347.459 1.710 20 70 EDIDHN CSCC[C@@H](N)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000161460852 442001957 /nfs/dbraw/zinc/00/19/57/442001957.db2.gz XSWZDKCWLYLILH-CHWSQXEVSA-N 0 3 341.864 1.642 20 70 EDIDHN C[C@@H](CNC(=O)c1csc(S(C)(=O)=O)c1)CN1CCCC1 ZINC000159421036 534050436 /nfs/dbraw/zinc/05/04/36/534050436.db2.gz YFWDYVUCLPGSFI-NSHDSACASA-N 0 3 330.475 1.613 20 70 EDIDHN CC(=O)N1CSC[C@H]1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000160062286 526680831 /nfs/dbraw/zinc/68/08/31/526680831.db2.gz SHIUOONOIDQGLA-IRXDYDNUSA-N 0 3 347.484 1.689 20 70 EDIDHN CC(C)c1ncc(Cl)c(C(=O)NC[C@@H](O)CN2CCCCC2)n1 ZINC000160090145 528354075 /nfs/dbraw/zinc/35/40/75/528354075.db2.gz CKFFVHZDAVCQEQ-GFCCVEGCSA-N 0 3 340.855 1.830 20 70 EDIDHN