smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCN(Cc2ccc(CNC(=O)c3cc(C)n(-c4cc(C)cc(C)c4)c3C)cc2)CC1 ZINC001441366377 1066035439 /nfs/dbraw/zinc/03/54/39/1066035439.db2.gz OQPWRCMXZQIUSX-UHFFFAOYSA-N 0 3 458.650 4.778 20 10 JJCDHN CCN1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)cc2)CC1 ZINC001458108513 1066978134 /nfs/dbraw/zinc/97/81/34/1066978134.db2.gz HCLHSBCKDZXJAL-UHFFFAOYSA-N 0 3 458.562 4.575 20 10 JJCDHN Cn1c(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc2cc(C(F)(F)F)ccc21 ZINC001461265544 1067813973 /nfs/dbraw/zinc/81/39/73/1067813973.db2.gz NFNPFWFKJCCTAY-OAHLLOKOSA-N 0 3 454.443 4.952 20 10 JJCDHN CC(C)(C)OC(=O)N1CCCc2c(CNCc3ccc(N4CCC(O)CC4)cc3)cccc21 ZINC001461554236 1067887270 /nfs/dbraw/zinc/88/72/70/1067887270.db2.gz PESXSGFUPVZUBM-UHFFFAOYSA-N 0 3 451.611 4.625 20 10 JJCDHN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCc2cc(F)c(N(C)C)cc2F)cc1 ZINC001461627103 1067904863 /nfs/dbraw/zinc/90/48/63/1067904863.db2.gz MFPVGFOALIKZDJ-REWPJTCUSA-N 0 3 475.580 4.922 20 10 JJCDHN CN(C)c1ccc([C@H](CNC(=O)C(C)(C)COc2cc(Cl)cc(Cl)c2)N(C)C)cc1 ZINC001463277742 1068342162 /nfs/dbraw/zinc/34/21/62/1068342162.db2.gz BSTMMBRWNNMGTQ-NRFANRHFSA-N 0 3 452.426 4.884 20 10 JJCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc(-c3cccc(C(F)(F)F)c3)ccn2)N(C)C)cc1 ZINC001463286985 1068345161 /nfs/dbraw/zinc/34/51/61/1068345161.db2.gz VYRYDMBWANQUGD-QHCPKHFHSA-N 0 3 456.512 4.866 20 10 JJCDHN CN(C)c1ccc([C@@H](CNC(=O)COc2ccc(-c3ccccc3)cc2Cl)N(C)C)cc1 ZINC001439959430 1065896581 /nfs/dbraw/zinc/89/65/81/1065896581.db2.gz FGGNAJLZNLGTPR-XMMPIXPASA-N 0 3 451.998 4.871 20 10 JJCDHN Cc1cc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CC(F)(F)F)c(C)n1-c1ccccc1 ZINC001361050239 1066284410 /nfs/dbraw/zinc/28/44/10/1066284410.db2.gz UYTKYHHMNHGINP-UHFFFAOYSA-N 0 3 460.548 4.835 20 10 JJCDHN CCC(O)(CC)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(CC(C)C)CC1 ZINC001546022363 1067074671 /nfs/dbraw/zinc/07/46/71/1067074671.db2.gz DBFYKCWDXYHDQC-UHFFFAOYSA-N 0 3 478.685 4.682 20 10 JJCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](C)c1ccccc1-c1ccc(Cl)cc1)cc2=O ZINC001459842308 1067449542 /nfs/dbraw/zinc/44/95/42/1067449542.db2.gz GWXVQLSVRYVTKY-OAHLLOKOSA-N 0 3 450.926 4.783 20 10 JJCDHN O=C(CN[C@@H](CC1CCCCC1)c1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001459877750 1067469789 /nfs/dbraw/zinc/46/97/89/1067469789.db2.gz PHDUOVHPJDURFE-VWLOTQADSA-N 0 3 453.602 4.580 20 10 JJCDHN Cc1cc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)cc(C)c1OCc1ccccn1 ZINC001461563636 1067889443 /nfs/dbraw/zinc/88/94/43/1067889443.db2.gz CTTUVRMZMRUGHQ-UHFFFAOYSA-N 0 3 453.533 4.682 20 10 JJCDHN C[C@@H](CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc(F)c(Br)c1 ZINC001439960499 1065897578 /nfs/dbraw/zinc/89/75/78/1065897578.db2.gz LXXSXUPKCVRLIQ-BTYIYWSLSA-N 0 3 450.396 4.567 20 10 JJCDHN Nc1c(F)cc(Cl)cc1C(=O)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1 ZINC001446822489 1066745143 /nfs/dbraw/zinc/74/51/43/1066745143.db2.gz GGKSRZXICCHCTQ-UHFFFAOYSA-N 0 3 452.961 4.678 20 10 JJCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 ZINC001459558539 1067350766 /nfs/dbraw/zinc/35/07/66/1067350766.db2.gz WLZYUCLVNVRCCR-DLBZAZTESA-N 0 3 458.624 4.994 20 10 JJCDHN CCN1CCN(c2ccc(CNCc3c(Br)c4ccccc4n3C)cc2F)CC1 ZINC001461155628 1067790651 /nfs/dbraw/zinc/79/06/51/1067790651.db2.gz IXQSWTCKCRYWEO-UHFFFAOYSA-N 0 3 459.407 4.512 20 10 JJCDHN O=C(NCCc1cccs1)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC001461935111 1067964149 /nfs/dbraw/zinc/96/41/49/1067964149.db2.gz DGXUDRPTTHPADE-UHFFFAOYSA-N 0 3 450.604 4.604 20 10 JJCDHN Cc1nc(CSc2ccccc2C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cs1 ZINC001463278586 1068342711 /nfs/dbraw/zinc/34/27/11/1068342711.db2.gz FPRDEZCNBCRNEV-JOCHJYFZSA-N 0 3 454.665 4.843 20 10 JJCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc3ccccc3n2Cc2ccccc2F)N(C)C)cc1 ZINC001439960045 1065897593 /nfs/dbraw/zinc/89/75/93/1065897593.db2.gz JOPCGOICECAVSZ-HHHXNRCGSA-N 0 3 458.581 4.927 20 10 JJCDHN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC001443636969 1066341875 /nfs/dbraw/zinc/34/18/75/1066341875.db2.gz SPLCGYGTMCLCEE-XMMPIXPASA-N 0 3 458.606 4.602 20 10 JJCDHN CCCN(CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@@H](CC)c1ccccc1 ZINC001459369152 1067305021 /nfs/dbraw/zinc/30/50/21/1067305021.db2.gz MGCQMEWGRPEOJL-BKSPAHHJSA-N 0 3 455.618 4.919 20 10 JJCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C1CCCC1 ZINC001459465543 1067331440 /nfs/dbraw/zinc/33/14/40/1067331440.db2.gz HXIWJOIITNKSIJ-GOSISDBHSA-N 0 3 454.792 4.993 20 10 JJCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C1CCCC1 ZINC001459465543 1067331449 /nfs/dbraw/zinc/33/14/49/1067331449.db2.gz HXIWJOIITNKSIJ-GOSISDBHSA-N 0 3 454.792 4.993 20 10 JJCDHN Cc1nn(-c2cccc(Br)c2)cc1CNCc1ccc(N2CCSCC2)cc1 ZINC001461057463 1067771748 /nfs/dbraw/zinc/77/17/48/1067771748.db2.gz STLONACKPBTBMZ-UHFFFAOYSA-N 0 3 457.441 4.786 20 10 JJCDHN CC(C)(C)OC(=O)N1CCCc2c(CNCc3ccc(N4CCOCC4)c(F)c3)cccc21 ZINC001461554173 1067887029 /nfs/dbraw/zinc/88/70/29/1067887029.db2.gz ONXDDLWFEBZFGI-UHFFFAOYSA-N 0 3 455.574 4.640 20 10 JJCDHN Cc1cc(CCNCc2cn(-c3ccccc3Br)nn2)c(C)n1-c1ccccc1 ZINC001461666998 1067914221 /nfs/dbraw/zinc/91/42/21/1067914221.db2.gz IZQNQEHFFTXVKL-UHFFFAOYSA-N 0 3 450.384 4.770 20 10 JJCDHN Cc1cc(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)c(C)n1-c1cc(C)cc(C)c1 ZINC001464095244 1068613260 /nfs/dbraw/zinc/61/32/60/1068613260.db2.gz DOOAEOJWIJIKRJ-NDEPHWFRSA-N 0 3 458.650 4.820 20 10 JJCDHN Cc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c(C)n1-c1ccc(Br)cc1 ZINC001440702601 1065968010 /nfs/dbraw/zinc/96/80/10/1065968010.db2.gz DWLCYYYTWTXCRP-NRFANRHFSA-N 0 3 452.396 4.861 20 10 JJCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 ZINC001459558543 1067350632 /nfs/dbraw/zinc/35/06/32/1067350632.db2.gz WLZYUCLVNVRCCR-IAGOWNOFSA-N 0 3 458.624 4.994 20 10 JJCDHN Cc1nn(-c2ccc(Br)cc2)cc1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC001461123675 1067785573 /nfs/dbraw/zinc/78/55/73/1067785573.db2.gz YJFSUFKBUFNIJE-QGZVFWFLSA-N 0 3 455.400 4.631 20 10 JJCDHN Cc1nn(-c2ccc(Br)cc2)cc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC001461123674 1067785761 /nfs/dbraw/zinc/78/57/61/1067785761.db2.gz YJFSUFKBUFNIJE-KRWDZBQOSA-N 0 3 455.400 4.631 20 10 JJCDHN O[C@@](CNCc1ccc(N2CCCCC2)c(Br)c1)(c1ccccc1)C(F)(F)F ZINC001461147439 1067789015 /nfs/dbraw/zinc/78/90/15/1067789015.db2.gz IHAOQSRPNZKFRG-FQEVSTJZSA-N 0 3 457.334 4.979 20 10 JJCDHN COc1ccc(-c2nc(C)c([C@H](C)NCc3ccc(N4CCN(C)CC4)c(F)c3)s2)cc1 ZINC001461217693 1067801604 /nfs/dbraw/zinc/80/16/04/1067801604.db2.gz PFHMEZWHLRTEPP-KRWDZBQOSA-N 0 3 454.615 4.869 20 10 JJCDHN Cc1nc(CSc2ccccc2C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cs1 ZINC001463278589 1068342459 /nfs/dbraw/zinc/34/24/59/1068342459.db2.gz FPRDEZCNBCRNEV-QFIPXVFZSA-N 0 3 454.665 4.843 20 10 JJCDHN C[C@H](CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc(F)c(Br)c1 ZINC001439960500 1065897327 /nfs/dbraw/zinc/89/73/27/1065897327.db2.gz LXXSXUPKCVRLIQ-QVKFZJNVSA-N 0 3 450.396 4.567 20 10 JJCDHN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC001441694370 1066062069 /nfs/dbraw/zinc/06/20/69/1066062069.db2.gz SODWYVBJGJUZTC-UHFFFAOYSA-N 0 3 458.650 4.730 20 10 JJCDHN CCCN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@@H](CC)c1ccccc1 ZINC001459369212 1067304967 /nfs/dbraw/zinc/30/49/67/1067304967.db2.gz MGCQMEWGRPEOJL-WATLYSKOSA-N 0 3 455.618 4.919 20 10 JJCDHN COc1ccc(N2CC[C@H](CNCc3cc(Br)ccc3Br)C2)cc1 ZINC001461591934 1067895873 /nfs/dbraw/zinc/89/58/73/1067895873.db2.gz SFIBMKVTYMBVPF-CQSZACIVSA-N 0 3 454.206 4.836 20 10 JJCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(-c3cccc(C(F)(F)F)c3)ccn2)N(C)C)cc1 ZINC001463286983 1068345387 /nfs/dbraw/zinc/34/53/87/1068345387.db2.gz VYRYDMBWANQUGD-HSZRJFAPSA-N 0 3 456.512 4.866 20 10 JJCDHN Cc1cc(-c2nnc(N3CCN(CC(C)C)CC3)n2CCOC(C)(C)C)c(C)n1-c1ccccc1 ZINC001361049881 1066283877 /nfs/dbraw/zinc/28/38/77/1066283877.db2.gz QDQAIKLLCALIDM-UHFFFAOYSA-N 0 3 478.685 4.946 20 10 JJCDHN CCCN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@H](CC)c1ccccc1 ZINC001459369192 1067305056 /nfs/dbraw/zinc/30/50/56/1067305056.db2.gz MGCQMEWGRPEOJL-STWLZBDKSA-N 0 3 455.618 4.919 20 10 JJCDHN O[C@](CNCc1ccc(N2CCCCC2)c(Br)c1)(c1ccccc1)C(F)(F)F ZINC001461147442 1067789215 /nfs/dbraw/zinc/78/92/15/1067789215.db2.gz IHAOQSRPNZKFRG-HXUWFJFHSA-N 0 3 457.334 4.979 20 10 JJCDHN CCN(Cc1ccccc1)c1ccc(CN[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)cc1 ZINC001461276234 1067816201 /nfs/dbraw/zinc/81/62/01/1067816201.db2.gz PRJWMZUUGVVDBQ-MHZLTWQESA-N 0 3 459.590 4.625 20 10 JJCDHN C[C@@H](CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc(F)c(Br)c1 ZINC001439960502 1065897398 /nfs/dbraw/zinc/89/73/98/1065897398.db2.gz LXXSXUPKCVRLIQ-YCRPNKLZSA-N 0 3 450.396 4.567 20 10 JJCDHN CCc1ccc(C(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)cc1[N+](=O)[O-] ZINC001446823069 1066745008 /nfs/dbraw/zinc/74/50/08/1066745008.db2.gz IJBMVFIWTRZWMQ-UHFFFAOYSA-N 0 3 458.562 4.774 20 10 JJCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 ZINC001459558547 1067350668 /nfs/dbraw/zinc/35/06/68/1067350668.db2.gz WLZYUCLVNVRCCR-SJORKVTESA-N 0 3 458.624 4.994 20 10 JJCDHN O=C(CN[C@H](CC1CCCCC1)c1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001459877744 1067469812 /nfs/dbraw/zinc/46/98/12/1067469812.db2.gz PHDUOVHPJDURFE-RUZDIDTESA-N 0 3 453.602 4.580 20 10 JJCDHN Cn1c(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc2cc(C(F)(F)F)ccc21 ZINC001461265540 1067814211 /nfs/dbraw/zinc/81/42/11/1067814211.db2.gz NFNPFWFKJCCTAY-HNNXBMFYSA-N 0 3 454.443 4.952 20 10 JJCDHN C[C@H](CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc(F)c(Br)c1 ZINC001439960501 1065897359 /nfs/dbraw/zinc/89/73/59/1065897359.db2.gz LXXSXUPKCVRLIQ-VFNWGFHPSA-N 0 3 450.396 4.567 20 10 JJCDHN Cc1cc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CCCOC(F)F)c(C)n1-c1ccccc1 ZINC001361049434 1066282121 /nfs/dbraw/zinc/28/21/21/1066282121.db2.gz DJMSCLMXQZDLJE-UHFFFAOYSA-N 0 3 486.611 4.902 20 10 JJCDHN COc1ccc(N2CC[C@@H](CNCc3cc(Br)ccc3Br)C2)cc1 ZINC001461591933 1067896060 /nfs/dbraw/zinc/89/60/60/1067896060.db2.gz SFIBMKVTYMBVPF-AWEZNQCLSA-N 0 3 454.206 4.836 20 10 JJCDHN Cc1cc(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)c(C)n1-c1cccc(Br)c1 ZINC001463770391 1068519489 /nfs/dbraw/zinc/51/94/89/1068519489.db2.gz MOZIPJULGHLOGH-JOCHJYFZSA-N 0 3 454.412 4.759 20 10 JJCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Br)c(C(F)(F)F)c2)N(C)C)cc1 ZINC001439959452 1065896670 /nfs/dbraw/zinc/89/66/70/1065896670.db2.gz FMUPMBIJNOVMCE-GOSISDBHSA-N 0 3 458.322 4.567 20 10 JJCDHN CCN(Cc1ccccc1)c1ccc(CN[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)cc1 ZINC001461276230 1067816073 /nfs/dbraw/zinc/81/60/73/1067816073.db2.gz PRJWMZUUGVVDBQ-HHHXNRCGSA-N 0 3 459.590 4.625 20 10 JJCDHN CN(Cc1ccc(N2CCCCC2)c(Br)c1)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001462614716 1068112395 /nfs/dbraw/zinc/11/23/95/1068112395.db2.gz XRXFQAHOMOVFBJ-SFHVURJKSA-N 0 3 452.437 4.881 20 10 JJCDHN Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c(C)n1-c1ccc(Br)cc1 ZINC001440702605 1065967878 /nfs/dbraw/zinc/96/78/78/1065967878.db2.gz DWLCYYYTWTXCRP-OAQYLSRUSA-N 0 3 452.396 4.861 20 10 JJCDHN COc1ccc(N2CCCN(Cc3ccnc(-c4ccc(Br)cc4)n3)CC2)cc1 ZINC001459350306 1067300808 /nfs/dbraw/zinc/30/08/08/1067300808.db2.gz NCWYDOULWBBBSI-UHFFFAOYSA-N 0 3 453.384 4.627 20 10 JJCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C1CCCC1 ZINC001459465551 1067331502 /nfs/dbraw/zinc/33/15/02/1067331502.db2.gz HXIWJOIITNKSIJ-SFHVURJKSA-N 0 3 454.792 4.993 20 10 JJCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C1CCCC1 ZINC001459465551 1067331516 /nfs/dbraw/zinc/33/15/16/1067331516.db2.gz HXIWJOIITNKSIJ-SFHVURJKSA-N 0 3 454.792 4.993 20 10 JJCDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](C)c1ccccc1-c1ccc(Cl)cc1)cc2=O ZINC001459842307 1067449586 /nfs/dbraw/zinc/44/95/86/1067449586.db2.gz GWXVQLSVRYVTKY-HNNXBMFYSA-N 0 3 450.926 4.783 20 10 JJCDHN Cc1cc(-c2nnc(N(C)CCC(F)F)n2CCN2CC=CCC2)c(C)n1-c1ccccc1 ZINC001361046041 1066273686 /nfs/dbraw/zinc/27/36/86/1066273686.db2.gz SKHNSJZFLOUWFZ-UHFFFAOYSA-N 0 3 454.569 4.706 20 10 JJCDHN CCN1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)c2)CC1 ZINC001459285596 1067282639 /nfs/dbraw/zinc/28/26/39/1067282639.db2.gz LYIRANIARQUXDJ-UHFFFAOYSA-N 0 3 459.550 4.601 20 10 JJCDHN CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)COc2cc(Cl)cc(Cl)c2)N(C)C)cc1 ZINC001463277745 1068341901 /nfs/dbraw/zinc/34/19/01/1068341901.db2.gz BSTMMBRWNNMGTQ-OAQYLSRUSA-N 0 3 452.426 4.884 20 10 JJCDHN CC(C)CN1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)CC1 ZINC001360014926 1064813981 /nfs/dbraw/zinc/81/39/81/1064813981.db2.gz QJMXESAUCIQFCU-UHFFFAOYSA-N 0 3 452.691 4.638 20 10 JJCDHN CN(C)c1ccc([C@H](CNC(=O)COc2ccc(-c3ccccc3)cc2Cl)N(C)C)cc1 ZINC001439959427 1065896712 /nfs/dbraw/zinc/89/67/12/1065896712.db2.gz FGGNAJLZNLGTPR-DEOSSOPVSA-N 0 3 451.998 4.871 20 10 JJCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(Br)c(C(F)(F)F)c2)N(C)C)cc1 ZINC001439959454 1065896826 /nfs/dbraw/zinc/89/68/26/1065896826.db2.gz FMUPMBIJNOVMCE-SFHVURJKSA-N 0 3 458.322 4.567 20 10 JJCDHN COc1ccc(-c2nc(C)c([C@@H](C)NCc3ccc(N4CCN(C)CC4)c(F)c3)s2)cc1 ZINC001461217694 1067801641 /nfs/dbraw/zinc/80/16/41/1067801641.db2.gz PFHMEZWHLRTEPP-QGZVFWFLSA-N 0 3 454.615 4.869 20 10 JJCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc3ccccc3n2Cc2ccccc2F)N(C)C)cc1 ZINC001439960047 1065897256 /nfs/dbraw/zinc/89/72/56/1065897256.db2.gz JOPCGOICECAVSZ-MHZLTWQESA-N 0 3 458.581 4.927 20 10 JJCDHN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC001443636965 1066342019 /nfs/dbraw/zinc/34/20/19/1066342019.db2.gz SPLCGYGTMCLCEE-DEOSSOPVSA-N 0 3 458.606 4.602 20 10 JJCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)c2)CC1 ZINC001447322683 1066792350 /nfs/dbraw/zinc/79/23/50/1066792350.db2.gz VASLNKATKMCRRA-UHFFFAOYSA-N 0 3 457.500 4.674 20 10 JJCDHN CN(Cc1ccc(N2CCCCC2)c(Br)c1)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001462614707 1068112212 /nfs/dbraw/zinc/11/22/12/1068112212.db2.gz XRXFQAHOMOVFBJ-GOSISDBHSA-N 0 3 452.437 4.881 20 10 JJCDHN Cc1cc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)c(C)n1-c1cccc(Br)c1 ZINC001463770393 1068519383 /nfs/dbraw/zinc/51/93/83/1068519383.db2.gz MOZIPJULGHLOGH-QFIPXVFZSA-N 0 3 454.412 4.759 20 10 JJCDHN Cc1cc(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)c(C)n1-c1cc(C)cc(C)c1 ZINC001464095191 1068613334 /nfs/dbraw/zinc/61/33/34/1068613334.db2.gz DOOAEOJWIJIKRJ-MUUNZHRXSA-N 0 3 458.650 4.820 20 10 JJCDHN CCCN(CCC)C(=O)c1cccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1 ZINC001447322704 1066792479 /nfs/dbraw/zinc/79/24/79/1066792479.db2.gz VKNQERREGJGVLA-UHFFFAOYSA-N 0 3 450.627 4.732 20 10 JJCDHN CCCN(CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@H](CC)c1ccccc1 ZINC001459369203 1067304891 /nfs/dbraw/zinc/30/48/91/1067304891.db2.gz MGCQMEWGRPEOJL-TYBLODHISA-N 0 3 455.618 4.919 20 10 JJCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 ZINC001459558545 1067350822 /nfs/dbraw/zinc/35/08/22/1067350822.db2.gz WLZYUCLVNVRCCR-IRXDYDNUSA-N 0 3 458.624 4.994 20 10 JJCDHN COC1CCN(c2ccc(CN3CCC(N(CC4CC4)C(=O)OC(C)(C)C)CC3)cc2)CC1 ZINC001459604263 1067360553 /nfs/dbraw/zinc/36/05/53/1067360553.db2.gz RTWCKAIZINJJSD-UHFFFAOYSA-N 0 3 457.659 4.913 20 10 JJCDHN COc1ccc(O)c(CN2Cc3ccccc3OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC001462614749 1068112065 /nfs/dbraw/zinc/11/20/65/1068112065.db2.gz WKEQXVXQFBCSRF-UHFFFAOYSA-N 0 3 454.567 4.565 20 10 JJCDHN