smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(-c2cc(C(=O)N3CCN(C[C@@H](C)O)[C@H](C)C3)n[nH]2)c1 ZINC000161200720 525054633 /nfs/dbraw/zinc/05/46/33/525054633.db2.gz KCTYEWXZAQXBNF-ZIAGYGMSSA-N 0 3 358.442 1.612 10 70 FDIEHN Cn1cc(CNC(=O)NC[C@@H](O)CN2CCCCC2)c(C(F)(F)F)n1 ZINC000160873252 524987867 /nfs/dbraw/zinc/98/78/67/524987867.db2.gz OFWJPXPSJXVDCY-GFCCVEGCSA-N 0 3 363.384 1.085 10 70 FDIEHN NC(=O)CCN(Cc1ccccc1)C(=O)CN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160876266 524988708 /nfs/dbraw/zinc/98/87/08/524988708.db2.gz IPRSVSRHVODRPX-NQIIRXRSSA-N 0 3 373.497 1.518 10 70 FDIEHN COCCC1(CNC(=O)N(C)C2CCN(CCn3cccn3)CC2)CC1 ZINC000161107778 525035345 /nfs/dbraw/zinc/03/53/45/525035345.db2.gz AMEDLMDTBWBXFO-UHFFFAOYSA-N 0 3 363.506 1.806 10 70 FDIEHN CC[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000160473191 524897742 /nfs/dbraw/zinc/89/77/42/524897742.db2.gz ZPPLGTHINGHKAJ-HUUCEWRRSA-N 0 3 364.494 1.823 10 70 FDIEHN CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000160967372 525006375 /nfs/dbraw/zinc/00/63/75/525006375.db2.gz IKDLOECMDKUFOY-GOSISDBHSA-N 0 3 370.501 1.799 10 70 FDIEHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C1 ZINC000161371885 525094329 /nfs/dbraw/zinc/09/43/29/525094329.db2.gz IYNOOKBOTRLNDW-DGCLKSJQSA-N 0 3 353.825 1.995 10 70 FDIEHN CCC[C@H](C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)N(C)C ZINC000161447162 525110748 /nfs/dbraw/zinc/11/07/48/525110748.db2.gz YNUZNUAZGOIBSU-CQSZACIVSA-N 0 3 373.544 1.748 10 70 FDIEHN CCN1CCCC[C@H]1CNC(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000160101550 524810444 /nfs/dbraw/zinc/81/04/44/524810444.db2.gz OYHNHESQOJWHMV-UONOGXRCSA-N 0 3 350.467 1.433 10 70 FDIEHN O=C(N[C@@H]1CCc2ncnn2C1)N1CCCN(Cc2ccccc2)CC1 ZINC000161104638 525034872 /nfs/dbraw/zinc/03/48/72/525034872.db2.gz YVBYLKDZVJHYOI-QGZVFWFLSA-N 0 3 354.458 1.510 10 70 FDIEHN Cc1cc(NC(=O)CSCC(=O)NC[C@H]2CCCN2CC(C)C)no1 ZINC000160472146 524897199 /nfs/dbraw/zinc/89/71/99/524897199.db2.gz ODPACWFBLAEERD-CQSZACIVSA-N 0 3 368.503 1.891 10 70 FDIEHN NC(=O)CCN(Cc1ccccc1)C(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160876123 524988364 /nfs/dbraw/zinc/98/83/64/524988364.db2.gz IPRSVSRHVODRPX-WIYYLYMNSA-N 0 3 373.497 1.518 10 70 FDIEHN CN(C)CCN(CCCc1ccccc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000160967473 525007075 /nfs/dbraw/zinc/00/70/75/525007075.db2.gz IKDLOECMDKUFOY-SFHVURJKSA-N 0 3 370.501 1.799 10 70 FDIEHN COc1cccc(-c2cc(C(=O)N3CCN(C[C@@H](C)O)[C@@H](C)C3)n[nH]2)c1 ZINC000161200845 525053857 /nfs/dbraw/zinc/05/38/57/525053857.db2.gz KCTYEWXZAQXBNF-UONOGXRCSA-N 0 3 358.442 1.612 10 70 FDIEHN CC(C)N1C[C@H](NC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)[C@@H](C)C1 ZINC000161232526 525059834 /nfs/dbraw/zinc/05/98/34/525059834.db2.gz RVWFHUCHMPMNQD-BBRMVZONSA-N 0 3 358.442 1.303 10 70 FDIEHN CN(C)CCN1C[C@@H](C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CC1=O ZINC000159818043 524744595 /nfs/dbraw/zinc/74/45/95/524744595.db2.gz YIMAFMJRTFWOGT-HOCLYGCPSA-N 0 3 359.470 1.815 10 70 FDIEHN CCc1ccccc1N1C[C@H](C(=O)NC[C@H](O)CN2CCCCC2)CC1=O ZINC000160056083 524798503 /nfs/dbraw/zinc/79/85/03/524798503.db2.gz ZJXNMXJZRUVDKN-MSOLQXFVSA-N 0 3 373.497 1.565 10 70 FDIEHN COc1ccc(Br)c(CC(=O)N2CCO[C@H](CN(C)C)C2)c1 ZINC000160472771 524898858 /nfs/dbraw/zinc/89/88/58/524898858.db2.gz LDXNCWZAICBFIV-CQSZACIVSA-N 0 3 371.275 1.789 10 70 FDIEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000160743342 524962680 /nfs/dbraw/zinc/96/26/80/524962680.db2.gz QWNWQONVVPHGPX-ZIAGYGMSSA-N 0 3 369.491 1.191 10 70 FDIEHN Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000161014596 525016565 /nfs/dbraw/zinc/01/65/65/525016565.db2.gz QPMPFCWAFLVSEY-OAHLLOKOSA-N 0 3 355.442 1.590 10 70 FDIEHN CN(C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161327458 525083145 /nfs/dbraw/zinc/08/31/45/525083145.db2.gz YYLFDIKAWVZVAT-OAHLLOKOSA-N 0 3 360.437 1.505 10 70 FDIEHN CCc1ccccc1N1C[C@H](C(=O)NC[C@@H](O)CN2CCCCC2)CC1=O ZINC000160056355 524799519 /nfs/dbraw/zinc/79/95/19/524799519.db2.gz ZJXNMXJZRUVDKN-QZTJIDSGSA-N 0 3 373.497 1.565 10 70 FDIEHN Cc1c(NC(=O)C(=O)N2CC[C@@H](N(C)C)C2)cnn1-c1ccccc1F ZINC000161014154 525017545 /nfs/dbraw/zinc/01/75/45/525017545.db2.gz WKHUFRRZBVZUBR-CYBMUJFWSA-N 0 3 359.405 1.421 10 70 FDIEHN CCNS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000161378846 525096033 /nfs/dbraw/zinc/09/60/33/525096033.db2.gz NIJGIEHGIKVQOK-LRDDRELGSA-N 0 3 371.478 1.582 10 70 FDIEHN CCC[C@@H](C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1)N(C)C ZINC000161381823 525098045 /nfs/dbraw/zinc/09/80/45/525098045.db2.gz NKZKMPVARJWGCO-SFHVURJKSA-N 0 3 360.502 1.936 10 70 FDIEHN CC(C)CN1CCC[C@@H]1CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000160302856 524854240 /nfs/dbraw/zinc/85/42/40/524854240.db2.gz QFWKKXAMTFNJJI-GFCCVEGCSA-N 0 3 352.460 1.255 10 70 FDIEHN CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000160476098 524897030 /nfs/dbraw/zinc/89/70/30/524897030.db2.gz WSWWGUOXGAISRS-CQSZACIVSA-N 0 3 373.544 1.653 10 70 FDIEHN CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000160476098 524897042 /nfs/dbraw/zinc/89/70/42/524897042.db2.gz WSWWGUOXGAISRS-CQSZACIVSA-N 0 3 373.544 1.653 10 70 FDIEHN CCc1ccccc1N1C[C@@H](C(=O)NC[C@H](O)CN2CCCCC2)CC1=O ZINC000160056212 524799258 /nfs/dbraw/zinc/79/92/58/524799258.db2.gz ZJXNMXJZRUVDKN-ROUUACIJSA-N 0 3 373.497 1.565 10 70 FDIEHN CCOC(=O)C1CCN(C(=O)CN2CC[C@]3(O)CCCC[C@@H]3C2)CC1 ZINC000160575753 524919802 /nfs/dbraw/zinc/91/98/02/524919802.db2.gz LCFRNWFVAZQGCX-VQIMIIECSA-N 0 3 352.475 1.415 10 70 FDIEHN CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000161041381 525021996 /nfs/dbraw/zinc/02/19/96/525021996.db2.gz RELMZOJCPGVNGJ-AWEZNQCLSA-N 0 3 358.446 1.492 10 70 FDIEHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161200817 525054195 /nfs/dbraw/zinc/05/41/95/525054195.db2.gz UWJBHWNQCGDIOJ-QGZVFWFLSA-N 0 3 356.474 1.886 10 70 FDIEHN CN(C)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C1 ZINC000161372160 525094090 /nfs/dbraw/zinc/09/40/90/525094090.db2.gz IYNOOKBOTRLNDW-AAEUAGOBSA-N 0 3 353.825 1.995 10 70 FDIEHN CC1CCC(N2C[C@H](C(=O)NC[C@H](O)CN3CCCCC3)CC2=O)CC1 ZINC000160214538 524833498 /nfs/dbraw/zinc/83/34/98/524833498.db2.gz FKTJHCODPCDEQS-FPQWYMTMSA-N 0 3 365.518 1.377 10 70 FDIEHN Cc1noc([C@@H]2COCCN2CC(=O)NC[C@@H](c2ccccc2)N(C)C)n1 ZINC000161078637 525028919 /nfs/dbraw/zinc/02/89/19/525028919.db2.gz ISTQUJDVFDJIAG-IRXDYDNUSA-N 0 3 373.457 1.170 10 70 FDIEHN CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161159968 525044887 /nfs/dbraw/zinc/04/48/87/525044887.db2.gz NJGHRIVERPRHCU-INIZCTEOSA-N 0 3 360.437 1.505 10 70 FDIEHN Cn1cnc(-c2ccc(NC(=O)NC[C@@H](O)CN3CCCCC3)cc2)n1 ZINC000161325340 525082703 /nfs/dbraw/zinc/08/27/03/525082703.db2.gz FUGYOSUBROHFDJ-MRXNPFEDSA-N 0 3 358.446 1.450 10 70 FDIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)C1 ZINC000161352425 525087672 /nfs/dbraw/zinc/08/76/72/525087672.db2.gz MCGJMOJLMYUXLS-CJNGLKHVSA-N 0 3 355.442 1.430 10 70 FDIEHN CCC[C@H](C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)N(C)C ZINC000161263484 525069341 /nfs/dbraw/zinc/06/93/41/525069341.db2.gz LXANBAMOWJQJFC-QGZVFWFLSA-N 0 3 364.465 1.639 10 70 FDIEHN CN(C)C[C@H]1CN(C(=O)NCCc2nnc(-c3ccccc3)o2)CCO1 ZINC000159983573 524783492 /nfs/dbraw/zinc/78/34/92/524783492.db2.gz RWYSFVDQBMMPDW-HNNXBMFYSA-N 0 3 359.430 1.251 10 70 FDIEHN CC1CCC(N2C[C@@H](C(=O)NC[C@H](O)CN3CCCCC3)CC2=O)CC1 ZINC000160214656 524833958 /nfs/dbraw/zinc/83/39/58/524833958.db2.gz FKTJHCODPCDEQS-IKJBURDNSA-N 0 3 365.518 1.377 10 70 FDIEHN CC1CCC(N2C[C@@H](C(=O)NCC3CCN(CCO)CC3)CC2=O)CC1 ZINC000160640084 524936509 /nfs/dbraw/zinc/93/65/09/524936509.db2.gz VRILBBVLOAQDPC-NXYGQSRBSA-N 0 3 365.518 1.234 10 70 FDIEHN CC(C)N1C[C@H](NC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)[C@@H](C)C1 ZINC000161352543 525086062 /nfs/dbraw/zinc/08/60/62/525086062.db2.gz MCGJMOJLMYUXLS-BBRMVZONSA-N 0 3 355.442 1.430 10 70 FDIEHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CC1=O ZINC000159817935 524745028 /nfs/dbraw/zinc/74/50/28/524745028.db2.gz YIMAFMJRTFWOGT-GDBMZVCRSA-N 0 3 359.470 1.815 10 70 FDIEHN C[C@@H]1C[C@H](NC(=O)N2CC[C@H](N3CCOCC3)C2)CN1Cc1ccccc1 ZINC000159889830 524760828 /nfs/dbraw/zinc/76/08/28/524760828.db2.gz KXQSWAQIMMBVTP-HOJAQTOUSA-N 0 3 372.513 1.766 10 70 FDIEHN CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000161041302 525023002 /nfs/dbraw/zinc/02/30/02/525023002.db2.gz RELMZOJCPGVNGJ-CQSZACIVSA-N 0 3 358.446 1.492 10 70 FDIEHN COc1cccc(-c2cc(C(=O)NC[C@H](O)CN3CCCCC3)[nH]n2)c1 ZINC000159982898 524780571 /nfs/dbraw/zinc/78/05/71/524780571.db2.gz POULTTQVKXQWQZ-HNNXBMFYSA-N 0 3 358.442 1.662 10 70 FDIEHN CC(C)CN1CCC[C@@H]1CNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000160299426 524853569 /nfs/dbraw/zinc/85/35/69/524853569.db2.gz WZEHVAJPSAGGLM-OAHLLOKOSA-N 0 3 365.499 1.371 10 70 FDIEHN CCOC(=O)[C@@H]1CCCN(C(=O)CN2CC[C@]3(O)CCCC[C@@H]3C2)C1 ZINC000160967662 525006923 /nfs/dbraw/zinc/00/69/23/525006923.db2.gz OUUVMHFHTOOONY-GPMSIDNRSA-N 0 3 352.475 1.415 10 70 FDIEHN COCCOC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1C ZINC000161143279 525042283 /nfs/dbraw/zinc/04/22/83/525042283.db2.gz DYXGIYQXRNOOSB-WFASDCNBSA-N 0 3 365.474 1.893 10 70 FDIEHN O=C(NCC1CCN(CCO)CC1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000160632058 524933743 /nfs/dbraw/zinc/93/37/43/524933743.db2.gz AIIKMLMIHNPDJJ-HNNXBMFYSA-N 0 3 365.499 1.173 10 70 FDIEHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161091676 525031438 /nfs/dbraw/zinc/03/14/38/525031438.db2.gz FDYMSJDWZMLZAY-MRXNPFEDSA-N 0 3 360.437 1.505 10 70 FDIEHN CC(C)N1C[C@H](NC(=O)c2cccc(CN3CCN(C)CC3)c2)[C@@H](C)C1 ZINC000161132282 525039835 /nfs/dbraw/zinc/03/98/35/525039835.db2.gz VVKJNRNUWHUYDZ-PXNSSMCTSA-N 0 3 358.530 1.893 10 70 FDIEHN CC(C)N1C[C@H](NC(=O)C2CCN(c3ccc4nncn4n3)CC2)[C@@H](C)C1 ZINC000161124963 525040234 /nfs/dbraw/zinc/04/02/34/525040234.db2.gz UBMRPVZLMUNFRA-HOCLYGCPSA-N 0 3 371.489 1.186 10 70 FDIEHN COC(=O)[C@@H](c1cccnc1)N(C)C1CCN(CCn2cccn2)CC1 ZINC000159939575 524773651 /nfs/dbraw/zinc/77/36/51/524773651.db2.gz CWRKDBHWTFVCPG-GOSISDBHSA-N 0 3 357.458 1.589 10 70 FDIEHN CCC[C@@H](C(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1)N(C)C ZINC000160935208 524999439 /nfs/dbraw/zinc/99/94/39/524999439.db2.gz HWLWZXBPEGUWJT-MJGOQNOKSA-N 0 3 363.502 1.301 10 70 FDIEHN CCOc1ccc(S(=O)(=O)N(C)CC2CCN(C[C@@H](C)O)CC2)cc1 ZINC000161423652 525104665 /nfs/dbraw/zinc/10/46/65/525104665.db2.gz AEUBNDMZIIXKAP-OAHLLOKOSA-N 0 3 370.515 1.799 10 70 FDIEHN COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCN2CC(C)C)oc1C ZINC000160262299 524843224 /nfs/dbraw/zinc/84/32/24/524843224.db2.gz DUOUYOSXXSQCJD-CYBMUJFWSA-N 0 3 358.460 1.773 10 70 FDIEHN Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000161014489 525017761 /nfs/dbraw/zinc/01/77/61/525017761.db2.gz QPMPFCWAFLVSEY-HNNXBMFYSA-N 0 3 355.442 1.590 10 70 FDIEHN CC(C)Cn1cnc(S(=O)(=O)N(C)CC2CCN(C[C@@H](C)O)CC2)c1 ZINC000161435363 525108574 /nfs/dbraw/zinc/10/85/74/525108574.db2.gz JEGBVWCSEWDKBC-OAHLLOKOSA-N 0 3 372.535 1.252 10 70 FDIEHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161091789 525031346 /nfs/dbraw/zinc/03/13/46/525031346.db2.gz FDYMSJDWZMLZAY-INIZCTEOSA-N 0 3 360.437 1.505 10 70 FDIEHN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCN(C3CCCC3)CC1)CC2 ZINC000161390417 525099070 /nfs/dbraw/zinc/09/90/70/525099070.db2.gz WAVOVAYIHFSVDM-HNNXBMFYSA-N 0 3 360.506 1.986 10 70 FDIEHN COCCN1CCC[C@H]1CNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000159555489 524695064 /nfs/dbraw/zinc/69/50/64/524695064.db2.gz GWDYVOZMMSHSRO-GJZGRUSLSA-N 0 3 364.494 1.126 10 70 FDIEHN CC[C@H](O)CN1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000159967158 524777669 /nfs/dbraw/zinc/77/76/69/524777669.db2.gz ZFSYFKMVDIHDLF-IHPCNDPISA-N 0 3 374.529 1.605 10 70 FDIEHN CCN(C(=O)NC[C@@H]1CN(C)CCO1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000160073130 524802476 /nfs/dbraw/zinc/80/24/76/524802476.db2.gz NOLFWAPMYSDSFP-RBUKOAKNSA-N 0 3 360.502 1.623 10 70 FDIEHN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C)C2=O ZINC000161123764 525040117 /nfs/dbraw/zinc/04/01/17/525040117.db2.gz QQFPKERRDVVKSW-JJRVBVJISA-N 0 3 357.454 1.824 10 70 FDIEHN CCC[C@@H](C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)N(C)C ZINC000161447056 525109980 /nfs/dbraw/zinc/10/99/80/525109980.db2.gz YNUZNUAZGOIBSU-AWEZNQCLSA-N 0 3 373.544 1.748 10 70 FDIEHN CN(CCN1CCN(C(=O)[C@@H]2CCCN2C)CC1)Cc1ccc(F)cc1 ZINC000160291529 524849905 /nfs/dbraw/zinc/84/99/05/524849905.db2.gz DHNVKSXDZFNKBU-IBGZPJMESA-N 0 3 362.493 1.496 10 70 FDIEHN Cc1nc(COc2ccccc2C(=O)NC[C@H](O)CN2CCCCC2)no1 ZINC000160646048 524938931 /nfs/dbraw/zinc/93/89/31/524938931.db2.gz SZZPZKQZNNOHMD-HNNXBMFYSA-N 0 3 374.441 1.534 10 70 FDIEHN CC(C)C[C@H](CN(C)C)NC(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000161231866 525059906 /nfs/dbraw/zinc/05/99/06/525059906.db2.gz AEOIBWUKXDZZIP-MRXNPFEDSA-N 0 3 373.505 1.433 10 70 FDIEHN CNC(=O)COc1cccc(CC(=O)N[C@H](CN(C)C)c2ccccc2)c1 ZINC000160256573 524844084 /nfs/dbraw/zinc/84/40/84/524844084.db2.gz AEVPHAIYEAVVLS-LJQANCHMSA-N 0 3 369.465 1.773 10 70 FDIEHN COC(=O)c1ccccc1S(=O)(=O)NC[C@H]1CCCN1CC(C)C ZINC000160295720 524851897 /nfs/dbraw/zinc/85/18/97/524851897.db2.gz DEXAUUONNRVOHI-CQSZACIVSA-N 0 3 354.472 1.872 10 70 FDIEHN C[C@H]1CCCN(c2cc(N3CCC(N4CCC[C@@H]4C(N)=O)CC3)ncn2)C1 ZINC000160783609 524969852 /nfs/dbraw/zinc/96/98/52/524969852.db2.gz KREIYTDYFGKLQJ-DOTOQJQBSA-N 0 3 372.517 1.631 10 70 FDIEHN Cc1ccccc1[C@H](CC(=O)NC[C@@H](O)CN1CCCCC1)NC(N)=O ZINC000160274201 524848225 /nfs/dbraw/zinc/84/82/25/524848225.db2.gz CKOPWDZOOBFORK-WBVHZDCISA-N 0 3 362.474 1.058 10 70 FDIEHN O=C(CCN1CCC(c2cc[nH]n2)CC1)N1CCN(c2ncccn2)CC1 ZINC000160552170 524915096 /nfs/dbraw/zinc/91/50/96/524915096.db2.gz YAWUDVSXYCMIFA-UHFFFAOYSA-N 0 3 369.473 1.118 10 70 FDIEHN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000160999892 525012321 /nfs/dbraw/zinc/01/23/21/525012321.db2.gz ONJALOPKYHXVQF-OIISXLGYSA-N 0 3 367.453 1.793 10 70 FDIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cccc(CN3CCN(C)CC3)c2)C1 ZINC000161132127 525038570 /nfs/dbraw/zinc/03/85/70/525038570.db2.gz VVKJNRNUWHUYDZ-XLIONFOSSA-N 0 3 358.530 1.893 10 70 FDIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)C1 ZINC000161080312 525028999 /nfs/dbraw/zinc/02/89/99/525028999.db2.gz ONPXJLOFTKWHLJ-DOMZBBRYSA-N 0 3 362.865 1.838 10 70 FDIEHN CCC[C@@H](C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1)N(C)C ZINC000161227916 525059875 /nfs/dbraw/zinc/05/98/75/525059875.db2.gz BECHBNAZMZWHRR-OALUTQOASA-N 0 3 363.502 1.915 10 70 FDIEHN Cc1cccc(NC[C@@H]2CCN(CCN3C(=O)NC4(CCCC4)C3=O)C2)n1 ZINC000160090212 524805140 /nfs/dbraw/zinc/80/51/40/524805140.db2.gz GGEXUYADCRMOHH-INIZCTEOSA-N 0 3 371.485 1.988 10 70 FDIEHN CNC(=O)COc1cccc(CC(=O)N[C@@H](CN(C)C)c2ccccc2)c1 ZINC000160256461 524842613 /nfs/dbraw/zinc/84/26/13/524842613.db2.gz AEVPHAIYEAVVLS-IBGZPJMESA-N 0 3 369.465 1.773 10 70 FDIEHN CN(C)CCN1C[C@H](C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CC1=O ZINC000159817804 524744878 /nfs/dbraw/zinc/74/48/78/524744878.db2.gz YIMAFMJRTFWOGT-ZBFHGGJFSA-N 0 3 359.470 1.815 10 70 FDIEHN CCn1cc(C2CCN(CCN3C(=O)NC4(CCCC4)C3=O)CC2)cn1 ZINC000160057107 524799433 /nfs/dbraw/zinc/79/94/33/524799433.db2.gz LVWKIVRHQZBVNC-UHFFFAOYSA-N 0 3 359.474 1.947 10 70 FDIEHN CN(C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C1 ZINC000161371974 525094439 /nfs/dbraw/zinc/09/44/39/525094439.db2.gz IYNOOKBOTRLNDW-YPMHNXCESA-N 0 3 353.825 1.995 10 70 FDIEHN CC(C)CN1CCC[C@@H]1CNC(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000160521224 524909000 /nfs/dbraw/zinc/90/90/00/524909000.db2.gz FWNHDGXAMWKSED-CYBMUJFWSA-N 0 3 357.476 1.179 10 70 FDIEHN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N2CC[C@]3(O)CCCC[C@@H]3C2)C1 ZINC000161147878 525044261 /nfs/dbraw/zinc/04/42/61/525044261.db2.gz CODLOVYRWSIHBC-TVKQPGBESA-N 0 3 366.502 1.804 10 70 FDIEHN CC(C)Cn1cnc(S(=O)(=O)N(C)CC2CCN(C[C@H](C)O)CC2)c1 ZINC000161435499 525108184 /nfs/dbraw/zinc/10/81/84/525108184.db2.gz JEGBVWCSEWDKBC-HNNXBMFYSA-N 0 3 372.535 1.252 10 70 FDIEHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161200922 525053291 /nfs/dbraw/zinc/05/32/91/525053291.db2.gz UWJBHWNQCGDIOJ-KRWDZBQOSA-N 0 3 356.474 1.886 10 70 FDIEHN CCC[C@@H](C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)N(C)C ZINC000161336529 525084525 /nfs/dbraw/zinc/08/45/25/525084525.db2.gz JHRJNUXMIYYLDY-KRWDZBQOSA-N 0 3 352.523 1.264 10 70 FDIEHN CC(C)[C@H](O)CC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000159653576 524715572 /nfs/dbraw/zinc/71/55/72/524715572.db2.gz LNCZZWBNSMNELZ-GOSISDBHSA-N 0 3 361.486 1.535 10 70 FDIEHN CN(C)[C@@H](Cc1ccccc1)C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000159677645 524719694 /nfs/dbraw/zinc/71/96/94/524719694.db2.gz DKMANLZIPPYIRF-IBGZPJMESA-N 0 3 361.530 1.976 10 70 FDIEHN Cc1cccc(NC[C@H]2CCN(CCN3C(=O)NC4(CCCC4)C3=O)C2)n1 ZINC000160090363 524804686 /nfs/dbraw/zinc/80/46/86/524804686.db2.gz GGEXUYADCRMOHH-MRXNPFEDSA-N 0 3 371.485 1.988 10 70 FDIEHN C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)ccc1F ZINC000160521665 524909204 /nfs/dbraw/zinc/90/92/04/524909204.db2.gz RSIIPWGGJJIERW-CQSZACIVSA-N 0 3 371.478 1.584 10 70 FDIEHN C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)ccc1F ZINC000160521665 524909218 /nfs/dbraw/zinc/90/92/18/524909218.db2.gz RSIIPWGGJJIERW-CQSZACIVSA-N 0 3 371.478 1.584 10 70 FDIEHN CC(C)(C)CC(=O)NCC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000159369597 524654025 /nfs/dbraw/zinc/65/40/25/524654025.db2.gz GNXKNFVXVYGIBJ-KRWDZBQOSA-N 0 3 361.486 1.074 10 70 FDIEHN CN(C(=O)NCCc1cscn1)C1CCN(CCn2cccn2)CC1 ZINC000159440945 524669278 /nfs/dbraw/zinc/66/92/78/524669278.db2.gz NRDIRUHKSJROAC-UHFFFAOYSA-N 0 3 362.503 1.688 10 70 FDIEHN CCn1cc(C2CCN(C(=O)NC[C@@H]3CCCN3CCOC)CC2)cn1 ZINC000159553886 524695219 /nfs/dbraw/zinc/69/52/19/524695219.db2.gz CIZONTHLEUZCDF-SFHVURJKSA-N 0 3 363.506 1.903 10 70 FDIEHN O=C1NC2(CCCC2)C(=O)N1CCN1CC[C@@H](CNc2ccccn2)C1 ZINC000160085280 524804570 /nfs/dbraw/zinc/80/45/70/524804570.db2.gz PMNQMRXKGDFLCI-HNNXBMFYSA-N 0 3 357.458 1.680 10 70 FDIEHN O=C1NC2(CCCC2)C(=O)N1CCN1CC[C@H](CNc2ccccn2)C1 ZINC000160085430 524804772 /nfs/dbraw/zinc/80/47/72/524804772.db2.gz PMNQMRXKGDFLCI-OAHLLOKOSA-N 0 3 357.458 1.680 10 70 FDIEHN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C)C2=O ZINC000161124014 525038886 /nfs/dbraw/zinc/03/88/86/525038886.db2.gz QQFPKERRDVVKSW-VBQJREDUSA-N 0 3 357.454 1.824 10 70 FDIEHN CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161159860 525045170 /nfs/dbraw/zinc/04/51/70/525045170.db2.gz NJGHRIVERPRHCU-MRXNPFEDSA-N 0 3 360.437 1.505 10 70 FDIEHN CCOc1ccc(S(=O)(=O)N(C)CC2CCN(C[C@H](C)O)CC2)cc1 ZINC000161423781 525104320 /nfs/dbraw/zinc/10/43/20/525104320.db2.gz AEUBNDMZIIXKAP-HNNXBMFYSA-N 0 3 370.515 1.799 10 70 FDIEHN CN(C)[C@H](Cc1ccccc1)C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000159677504 524720077 /nfs/dbraw/zinc/72/00/77/524720077.db2.gz DKMANLZIPPYIRF-LJQANCHMSA-N 0 3 361.530 1.976 10 70 FDIEHN CN(CCN1CCN(C(=O)[C@H]2CCCN2C)CC1)Cc1ccc(F)cc1 ZINC000160291405 524850696 /nfs/dbraw/zinc/85/06/96/524850696.db2.gz DHNVKSXDZFNKBU-LJQANCHMSA-N 0 3 362.493 1.496 10 70 FDIEHN CC[C@H](O)CN1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000159966917 524778304 /nfs/dbraw/zinc/77/83/04/524778304.db2.gz ZFSYFKMVDIHDLF-YSIASYRMSA-N 0 3 374.529 1.605 10 70 FDIEHN CCc1ccccc1N1C[C@@H](C(=O)NC[C@@H](O)CN2CCCCC2)CC1=O ZINC000160056505 524799149 /nfs/dbraw/zinc/79/91/49/524799149.db2.gz ZJXNMXJZRUVDKN-ZWKOTPCHSA-N 0 3 373.497 1.565 10 70 FDIEHN Cc1nc(COc2ccccc2C(=O)NC[C@@H](O)CN2CCCCC2)no1 ZINC000160646124 524937955 /nfs/dbraw/zinc/93/79/55/524937955.db2.gz SZZPZKQZNNOHMD-OAHLLOKOSA-N 0 3 374.441 1.534 10 70 FDIEHN CCC[C@H](C(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1)N(C)C ZINC000160935116 525000084 /nfs/dbraw/zinc/00/00/84/525000084.db2.gz HWLWZXBPEGUWJT-PKOBYXMFSA-N 0 3 363.502 1.301 10 70 FDIEHN CN(C(=O)N[C@H]1CCc2ncnn2C1)C1CCN(Cc2ccccc2)CC1 ZINC000161142142 525041719 /nfs/dbraw/zinc/04/17/19/525041719.db2.gz FNYGCBWWGWAGJO-KRWDZBQOSA-N 0 3 368.485 1.899 10 70 FDIEHN CN(C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161327589 525082543 /nfs/dbraw/zinc/08/25/43/525082543.db2.gz YYLFDIKAWVZVAT-HNNXBMFYSA-N 0 3 360.437 1.505 10 70 FDIEHN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCN(C3CCCC3)CC1)CC2 ZINC000161390284 525099860 /nfs/dbraw/zinc/09/98/60/525099860.db2.gz WAVOVAYIHFSVDM-OAHLLOKOSA-N 0 3 360.506 1.986 10 70 FDIEHN CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000161497969 525119284 /nfs/dbraw/zinc/11/92/84/525119284.db2.gz PTHLJTNTMKONSQ-OAHLLOKOSA-N 0 3 350.511 1.946 10 70 FDIEHN CNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCN2CC(C)C)cc1 ZINC000160304402 524853706 /nfs/dbraw/zinc/85/37/06/524853706.db2.gz POJLMWVDYMNGBM-OAHLLOKOSA-N 0 3 353.488 1.445 10 70 FDIEHN COC(=O)c1sccc1S(=O)(=O)NC[C@H]1CCCN1CC(C)C ZINC000160303837 524854374 /nfs/dbraw/zinc/85/43/74/524854374.db2.gz MTPGFKRSEXUACI-GFCCVEGCSA-N 0 3 360.501 1.933 10 70 FDIEHN CCc1cc(NC(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)n(C)n1 ZINC000160420071 524884401 /nfs/dbraw/zinc/88/44/01/524884401.db2.gz RYJPQYDRIFOQJL-UHFFFAOYSA-N 0 3 371.489 1.793 10 70 FDIEHN Cc1cc(S(N)(=O)=O)cc(C(=O)N[C@H](CC(C)C)CN(C)C)c1C ZINC000161329715 525082288 /nfs/dbraw/zinc/08/22/88/525082288.db2.gz SUTCISNWDBTYCU-CQSZACIVSA-N 0 3 355.504 1.657 10 70 FDIEHN C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](N3CCOCC3)C2)CN1Cc1ccccc1 ZINC000159890002 524760506 /nfs/dbraw/zinc/76/05/06/524760506.db2.gz KXQSWAQIMMBVTP-RLLQIKCJSA-N 0 3 372.513 1.766 10 70 FDIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)C1 ZINC000161232386 525061085 /nfs/dbraw/zinc/06/10/85/525061085.db2.gz RVWFHUCHMPMNQD-CJNGLKHVSA-N 0 3 358.442 1.303 10 70 FDIEHN COCCN1CCC[C@@H]1CNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000159555750 524695703 /nfs/dbraw/zinc/69/57/03/524695703.db2.gz GWDYVOZMMSHSRO-LSDHHAIUSA-N 0 3 364.494 1.126 10 70 FDIEHN CN(C)Cc1ccc(N2CCN(C(=O)Nc3cccn(C)c3=O)CC2)nc1 ZINC000160756504 524964054 /nfs/dbraw/zinc/96/40/54/524964054.db2.gz KKKTXTOLHYZJKC-UHFFFAOYSA-N 0 3 370.457 1.196 10 70 FDIEHN CCC[C@H](C(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1)N(C)C ZINC000161228291 525060854 /nfs/dbraw/zinc/06/08/54/525060854.db2.gz BECHBNAZMZWHRR-RTBURBONSA-N 0 3 363.502 1.915 10 70 FDIEHN COCCN1CCC[C@H]1CNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000159555362 524695003 /nfs/dbraw/zinc/69/50/03/524695003.db2.gz GWDYVOZMMSHSRO-CABCVRRESA-N 0 3 364.494 1.126 10 70 FDIEHN COCCN1CCC[C@@H]1CNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000159555626 524695028 /nfs/dbraw/zinc/69/50/28/524695028.db2.gz GWDYVOZMMSHSRO-HUUCEWRRSA-N 0 3 364.494 1.126 10 70 FDIEHN COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCN2CC(C)C)cc1 ZINC000160278270 524848510 /nfs/dbraw/zinc/84/85/10/524848510.db2.gz VVTLTCNSCPHEAQ-OAHLLOKOSA-N 0 3 354.472 1.872 10 70 FDIEHN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000161212179 525055910 /nfs/dbraw/zinc/05/59/10/525055910.db2.gz PQKIPVVKHZQIFR-XIRDDKMYSA-N 0 3 371.489 1.698 10 70 FDIEHN CCC[C@@H](C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)N(C)C ZINC000161263354 525067959 /nfs/dbraw/zinc/06/79/59/525067959.db2.gz LXANBAMOWJQJFC-KRWDZBQOSA-N 0 3 364.465 1.639 10 70 FDIEHN CN(CCN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1)Cc1ccc(F)cc1 ZINC000160970178 525006748 /nfs/dbraw/zinc/00/67/48/525006748.db2.gz ZDFZDRBMBPBKGK-UHFFFAOYSA-N 0 3 372.444 1.404 10 70 FDIEHN CCN(C(=O)NCC(=O)NCC1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000161160386 525045943 /nfs/dbraw/zinc/04/59/43/525045943.db2.gz YHLVLWFOTLXXMS-SFHVURJKSA-N 0 3 358.486 1.819 10 70 FDIEHN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000161211946 525055854 /nfs/dbraw/zinc/05/58/54/525055854.db2.gz PQKIPVVKHZQIFR-BHYGNILZSA-N 0 3 371.489 1.698 10 70 FDIEHN CCNS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000161378708 525096679 /nfs/dbraw/zinc/09/66/79/525096679.db2.gz NIJGIEHGIKVQOK-BLLLJJGKSA-N 0 3 371.478 1.582 10 70 FDIEHN O=C(NCCc1nnc(-c2ccccc2)o1)NC[C@@H](O)CN1CCCCC1 ZINC000160019774 524788519 /nfs/dbraw/zinc/78/85/19/524788519.db2.gz SSTYJBZCBINOFU-MRXNPFEDSA-N 0 3 373.457 1.425 10 70 FDIEHN O=C(N[C@H]1CCc2ncnn2C1)N1CCCN(Cc2ccccc2)CC1 ZINC000161104736 525035744 /nfs/dbraw/zinc/03/57/44/525035744.db2.gz YVBYLKDZVJHYOI-KRWDZBQOSA-N 0 3 354.458 1.510 10 70 FDIEHN CN(C(=O)N[C@@H]1CCc2ncnn2C1)C1CCN(Cc2ccccc2)CC1 ZINC000161142037 525041906 /nfs/dbraw/zinc/04/19/06/525041906.db2.gz FNYGCBWWGWAGJO-QGZVFWFLSA-N 0 3 368.485 1.899 10 70 FDIEHN CCC[C@H](C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1)N(C)C ZINC000161381938 525098266 /nfs/dbraw/zinc/09/82/66/525098266.db2.gz NKZKMPVARJWGCO-GOSISDBHSA-N 0 3 360.502 1.936 10 70 FDIEHN Cc1noc(C)c1CCC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000159365309 524654216 /nfs/dbraw/zinc/65/42/16/524654216.db2.gz CIJMPNZDCUNINQ-SFHVURJKSA-N 0 3 357.454 1.759 10 70 FDIEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000160743483 524962717 /nfs/dbraw/zinc/96/27/17/524962717.db2.gz QWNWQONVVPHGPX-UONOGXRCSA-N 0 3 369.491 1.191 10 70 FDIEHN Cc1c(NC(=O)C(=O)N2CC[C@H](N(C)C)C2)cnn1-c1ccccc1F ZINC000161014052 525016160 /nfs/dbraw/zinc/01/61/60/525016160.db2.gz WKHUFRRZBVZUBR-ZDUSSCGKSA-N 0 3 359.405 1.421 10 70 FDIEHN CCC[C@@H](C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1)N(C)C ZINC000161365118 525094403 /nfs/dbraw/zinc/09/44/03/525094403.db2.gz RLRSTRBYAVAALN-SFHVURJKSA-N 0 3 360.502 1.177 10 70 FDIEHN CCC[C@H](C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1)N(C)C ZINC000161427647 525106891 /nfs/dbraw/zinc/10/68/91/525106891.db2.gz SLELNKGHKKVLCN-QGZVFWFLSA-N 0 3 370.501 1.587 10 70 FDIEHN Cn1cc(CNC(=O)NC[C@H](O)CN2CCCCC2)c(C(F)(F)F)n1 ZINC000160873146 173724144 /nfs/dbraw/zinc/72/41/44/173724144.db2.gz OFWJPXPSJXVDCY-LBPRGKRZSA-N 0 3 363.384 1.085 10 70 FDIEHN O=C(NCCc1nnc(-c2ccccc2)o1)NC[C@H](O)CN1CCCCC1 ZINC000160019632 524788697 /nfs/dbraw/zinc/78/86/97/524788697.db2.gz SSTYJBZCBINOFU-INIZCTEOSA-N 0 3 373.457 1.425 10 70 FDIEHN CCC[C@H](C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)N(C)C ZINC000161336643 525085105 /nfs/dbraw/zinc/08/51/05/525085105.db2.gz JHRJNUXMIYYLDY-QGZVFWFLSA-N 0 3 352.523 1.264 10 70 FDIEHN CCC[C@H](C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1)N(C)C ZINC000161365256 525093512 /nfs/dbraw/zinc/09/35/12/525093512.db2.gz RLRSTRBYAVAALN-GOSISDBHSA-N 0 3 360.502 1.177 10 70 FDIEHN COC(=O)[C@H](c1cccnc1)N(C)C1CCN(CCn2cccn2)CC1 ZINC000159939437 524773663 /nfs/dbraw/zinc/77/36/63/524773663.db2.gz CWRKDBHWTFVCPG-SFHVURJKSA-N 0 3 357.458 1.589 10 70 FDIEHN COc1cccc(-c2cc(C(=O)NC[C@@H](O)CN3CCCCC3)[nH]n2)c1 ZINC000159983029 524782834 /nfs/dbraw/zinc/78/28/34/524782834.db2.gz POULTTQVKXQWQZ-OAHLLOKOSA-N 0 3 358.442 1.662 10 70 FDIEHN CC(C)N1C[C@H](NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)[C@@H](C)C1 ZINC000161080419 525029564 /nfs/dbraw/zinc/02/95/64/525029564.db2.gz ONPXJLOFTKWHLJ-WFASDCNBSA-N 0 3 362.865 1.838 10 70 FDIEHN COC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCN2CC(C)C)c1 ZINC000160280406 524848303 /nfs/dbraw/zinc/84/83/03/524848303.db2.gz ROGTXWZSCMSQDW-OAHLLOKOSA-N 0 3 354.472 1.872 10 70 FDIEHN CN(C)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C1 ZINC000161372060 525095048 /nfs/dbraw/zinc/09/50/48/525095048.db2.gz IYNOOKBOTRLNDW-WCQYABFASA-N 0 3 353.825 1.995 10 70 FDIEHN COc1cccc(CS(=O)(=O)N(C)CC2CCN(C[C@@H](C)O)CC2)c1 ZINC000161452314 525112599 /nfs/dbraw/zinc/11/25/99/525112599.db2.gz MYYIDNOMUFMCEL-OAHLLOKOSA-N 0 3 370.515 1.550 10 70 FDIEHN CN(C)C[C@@H]1CN(C(=O)NCCc2nnc(-c3ccccc3)o2)CCO1 ZINC000159983456 524783521 /nfs/dbraw/zinc/78/35/21/524783521.db2.gz RWYSFVDQBMMPDW-OAHLLOKOSA-N 0 3 359.430 1.251 10 70 FDIEHN CC(C)c1nc(N(C)C)nc(N(C)C2CCN(CCn3cccn3)CC2)n1 ZINC000159424565 524665694 /nfs/dbraw/zinc/66/56/94/524665694.db2.gz XAGPJLIOKIDSQC-UHFFFAOYSA-N 0 3 372.521 1.858 10 70 FDIEHN COc1ccc(-c2cc(C(=O)NC[C@@H](O)CN3CCCCC3)[nH]n2)cc1 ZINC000160039304 524795574 /nfs/dbraw/zinc/79/55/74/524795574.db2.gz YBGWTCWTXZACEW-OAHLLOKOSA-N 0 3 358.442 1.662 10 70 FDIEHN CC(C)CN1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000160410989 524882518 /nfs/dbraw/zinc/88/25/18/524882518.db2.gz RMQZCBFQCYUSNP-GFCCVEGCSA-N 0 3 357.451 1.323 10 70 FDIEHN C[C@@H]1CCCN(c2cc(N3CCC(N4CCC[C@@H]4C(N)=O)CC3)ncn2)C1 ZINC000160783496 524970126 /nfs/dbraw/zinc/97/01/26/524970126.db2.gz KREIYTDYFGKLQJ-NVXWUHKLSA-N 0 3 372.517 1.631 10 70 FDIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000161124820 525039536 /nfs/dbraw/zinc/03/95/36/525039536.db2.gz UBMRPVZLMUNFRA-ZBFHGGJFSA-N 0 3 371.489 1.186 10 70 FDIEHN Cn1cnc(-c2ccc(NC(=O)NC[C@H](O)CN3CCCCC3)cc2)n1 ZINC000161325231 525082332 /nfs/dbraw/zinc/08/23/32/525082332.db2.gz FUGYOSUBROHFDJ-INIZCTEOSA-N 0 3 358.446 1.450 10 70 FDIEHN COCCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1C ZINC000161143151 525041134 /nfs/dbraw/zinc/04/11/34/525041134.db2.gz DYXGIYQXRNOOSB-SWLSCSKDSA-N 0 3 365.474 1.893 10 70 FDIEHN Cc1noc([C@H]2COCCN2CC(=O)NC[C@@H](c2ccccc2)N(C)C)n1 ZINC000161078764 525028211 /nfs/dbraw/zinc/02/82/11/525028211.db2.gz ISTQUJDVFDJIAG-DLBZAZTESA-N 0 3 373.457 1.170 10 70 FDIEHN Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000161144091 525043225 /nfs/dbraw/zinc/04/32/25/525043225.db2.gz QWTSWQBBGDRNCO-KRWDZBQOSA-N 0 3 356.474 1.675 10 70 FDIEHN Cc1ccccc1[C@@H](CC(=O)NC[C@@H](O)CN1CCCCC1)NC(N)=O ZINC000160274038 173704418 /nfs/dbraw/zinc/70/44/18/173704418.db2.gz CKOPWDZOOBFORK-NVXWUHKLSA-N 0 3 362.474 1.058 10 70 FDIEHN CCOC(=O)C1CCN(C(=O)CN2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000160575889 524920328 /nfs/dbraw/zinc/92/03/28/524920328.db2.gz LCFRNWFVAZQGCX-APWZRJJASA-N 0 3 352.475 1.415 10 70 FDIEHN CCC[C@@H](C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1)N(C)C ZINC000161427550 525107263 /nfs/dbraw/zinc/10/72/63/525107263.db2.gz SLELNKGHKKVLCN-KRWDZBQOSA-N 0 3 370.501 1.587 10 70 FDIEHN CCN(C(=O)NCC(=O)NCC1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000161160286 525045804 /nfs/dbraw/zinc/04/58/04/525045804.db2.gz YHLVLWFOTLXXMS-GOSISDBHSA-N 0 3 358.486 1.819 10 70 FDIEHN CCc1nc(CC(=O)NC[C@H](O)CN2CCc3ccccc3C2)cs1 ZINC000159370192 524652785 /nfs/dbraw/zinc/65/27/85/524652785.db2.gz VCFUGUIFTXBTJP-KRWDZBQOSA-N 0 3 359.495 1.783 10 70 FDIEHN CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CC1=O ZINC000159818172 524745076 /nfs/dbraw/zinc/74/50/76/524745076.db2.gz YIMAFMJRTFWOGT-GOEBONIOSA-N 0 3 359.470 1.815 10 70 FDIEHN COc1ccc(-c2cc(C(=O)N3CCN(C[C@@H](C)O)[C@@H](C)C3)n[nH]2)cc1 ZINC000161215491 525056511 /nfs/dbraw/zinc/05/65/11/525056511.db2.gz ZKUTUZIFWALBMO-UONOGXRCSA-N 0 3 358.442 1.612 10 70 FDIEHN CC(C)CN(CCN(C)C)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000161498055 525119930 /nfs/dbraw/zinc/11/99/30/525119930.db2.gz PTHLJTNTMKONSQ-HNNXBMFYSA-N 0 3 350.511 1.946 10 70 FDIEHN CCn1cc(C2CCN(C(=O)NC[C@H]3CCCN3CCOC)CC2)cn1 ZINC000159554015 524695083 /nfs/dbraw/zinc/69/50/83/524695083.db2.gz CIZONTHLEUZCDF-GOSISDBHSA-N 0 3 363.506 1.903 10 70 FDIEHN CCN(C(=O)NC[C@@H]1CN(C)CCO1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000160073003 524802213 /nfs/dbraw/zinc/80/22/13/524802213.db2.gz NOLFWAPMYSDSFP-RTBURBONSA-N 0 3 360.502 1.623 10 70 FDIEHN Cc1ccccc1[C@@H](CC(=O)NC[C@H](O)CN1CCCCC1)NC(N)=O ZINC000160273801 524846058 /nfs/dbraw/zinc/84/60/58/524846058.db2.gz CKOPWDZOOBFORK-DOTOQJQBSA-N 0 3 362.474 1.058 10 70 FDIEHN CCC[C@@H](C(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1)N(C)C ZINC000160934994 524998515 /nfs/dbraw/zinc/99/85/15/524998515.db2.gz HWLWZXBPEGUWJT-HKUYNNGSSA-N 0 3 363.502 1.301 10 70 FDIEHN CC(C)[C@@H](O)CC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000159653719 524715098 /nfs/dbraw/zinc/71/50/98/524715098.db2.gz LNCZZWBNSMNELZ-SFHVURJKSA-N 0 3 361.486 1.535 10 70 FDIEHN CC[C@H]1CCCCN1CCNC(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000160473313 524896931 /nfs/dbraw/zinc/89/69/31/524896931.db2.gz ZPPLGTHINGHKAJ-LSDHHAIUSA-N 0 3 364.494 1.823 10 70 FDIEHN CC1CCC(N2C[C@H](C(=O)NCC3CCN(CCO)CC3)CC2=O)CC1 ZINC000160639953 524935137 /nfs/dbraw/zinc/93/51/37/524935137.db2.gz VRILBBVLOAQDPC-IIIMJFFVSA-N 0 3 365.518 1.234 10 70 FDIEHN COc1ccc(-c2cc(C(=O)NC[C@H](O)CN3CCCCC3)[nH]n2)cc1 ZINC000160039198 524795599 /nfs/dbraw/zinc/79/55/99/524795599.db2.gz YBGWTCWTXZACEW-HNNXBMFYSA-N 0 3 358.442 1.662 10 70 FDIEHN CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000160101403 524810564 /nfs/dbraw/zinc/81/05/64/524810564.db2.gz OYHNHESQOJWHMV-ZIAGYGMSSA-N 0 3 350.467 1.433 10 70 FDIEHN COc1ccc(Br)c(CC(=O)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000160472875 524897225 /nfs/dbraw/zinc/89/72/25/524897225.db2.gz LDXNCWZAICBFIV-AWEZNQCLSA-N 0 3 371.275 1.789 10 70 FDIEHN COc1ccc(-c2cc(C(=O)N3CCN(C[C@@H](C)O)[C@H](C)C3)n[nH]2)cc1 ZINC000161215368 525056303 /nfs/dbraw/zinc/05/63/03/525056303.db2.gz ZKUTUZIFWALBMO-ZIAGYGMSSA-N 0 3 358.442 1.612 10 70 FDIEHN CCC[C@H](C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1)N(C)C ZINC000161228035 525061012 /nfs/dbraw/zinc/06/10/12/525061012.db2.gz BECHBNAZMZWHRR-MOPGFXCFSA-N 0 3 363.502 1.915 10 70 FDIEHN COc1cccc(CS(=O)(=O)N(C)CC2CCN(C[C@H](C)O)CC2)c1 ZINC000161452189 525111472 /nfs/dbraw/zinc/11/14/72/525111472.db2.gz MYYIDNOMUFMCEL-HNNXBMFYSA-N 0 3 370.515 1.550 10 70 FDIEHN CN(C)Cc1ccc(N2CCN(C(=O)NCCc3cscn3)CC2)nc1 ZINC000159411876 524663365 /nfs/dbraw/zinc/66/33/65/524663365.db2.gz DIZQMMPMDBCORH-UHFFFAOYSA-N 0 3 374.514 1.674 10 70 FDIEHN Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000161143979 525041549 /nfs/dbraw/zinc/04/15/49/525041549.db2.gz QWTSWQBBGDRNCO-QGZVFWFLSA-N 0 3 356.474 1.675 10 70 FDIEHN CCC[C@@H](C(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1)N(C)C ZINC000161228167 525060942 /nfs/dbraw/zinc/06/09/42/525060942.db2.gz BECHBNAZMZWHRR-RBUKOAKNSA-N 0 3 363.502 1.915 10 70 FDIEHN Cc1ccccc1[C@H](CC(=O)NC[C@H](O)CN1CCCCC1)NC(N)=O ZINC000160273917 524844528 /nfs/dbraw/zinc/84/45/28/524844528.db2.gz CKOPWDZOOBFORK-RDJZCZTQSA-N 0 3 362.474 1.058 10 70 FDIEHN CCC[C@H](C(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1)N(C)C ZINC000160935338 524999756 /nfs/dbraw/zinc/99/97/56/524999756.db2.gz HWLWZXBPEGUWJT-IEBWSBKVSA-N 0 3 363.502 1.301 10 70 FDIEHN