smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN1C(=O)CC[C@]12CCCN(c1ccc([C@H]3CCCC[N@@H+]3CCC)cn1)[C@@H]2CC ZINC001164703223 719824267 /nfs/dbraw/zinc/82/42/67/719824267.db2.gz USMYJMGQMHAFHE-PLXFJCCSSA-N 1 1 424.633 4.945 20 30 HJEDMO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164724471 720490567 /nfs/dbraw/zinc/49/05/67/720490567.db2.gz GIXKKHRVXPFTNF-RTBURBONSA-N 1 1 424.335 4.661 20 30 HJEDMO N#Cc1cc(Cl)c(Cl)nc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994429 722199660 /nfs/dbraw/zinc/19/96/60/722199660.db2.gz GPZSISXWBWCRAL-FQEVSTJZSA-N 1 1 405.304 4.644 20 30 HJEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164996673 722201286 /nfs/dbraw/zinc/20/12/86/722201286.db2.gz VDVFXIFJUQQZHZ-FQEVSTJZSA-N 1 1 420.866 4.536 20 30 HJEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164996673 722201287 /nfs/dbraw/zinc/20/12/87/722201287.db2.gz VDVFXIFJUQQZHZ-FQEVSTJZSA-N 1 1 420.866 4.536 20 30 HJEDMO N#Cc1nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(Cl)cc1Cl ZINC001164998811 722212535 /nfs/dbraw/zinc/21/25/35/722212535.db2.gz YJSXLFRPCTUFCS-FQEVSTJZSA-N 1 1 405.304 4.644 20 30 HJEDMO N#Cc1nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(Cl)cc1Cl ZINC001164998811 722212540 /nfs/dbraw/zinc/21/25/40/722212540.db2.gz YJSXLFRPCTUFCS-FQEVSTJZSA-N 1 1 405.304 4.644 20 30 HJEDMO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164724466 720490434 /nfs/dbraw/zinc/49/04/34/720490434.db2.gz GIXKKHRVXPFTNF-OALUTQOASA-N 1 1 424.335 4.661 20 30 HJEDMO CCc1cccc(C)c1NC(=O)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000328607782 569419026 /nfs/dbraw/zinc/41/90/26/569419026.db2.gz XCOLWSMKJOOGOH-NTKDMRAZSA-N 1 1 408.546 4.535 20 30 HJEDMO CCc1cccc(C)c1NC(=O)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000328607782 569419027 /nfs/dbraw/zinc/41/90/27/569419027.db2.gz XCOLWSMKJOOGOH-NTKDMRAZSA-N 1 1 408.546 4.535 20 30 HJEDMO N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165044999 721925285 /nfs/dbraw/zinc/92/52/85/721925285.db2.gz XVCVKGDVRMWGPD-XMMPIXPASA-N 1 1 424.548 4.588 20 30 HJEDMO N#Cc1cc(Cl)nc(C(F)(F)N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995431 722201257 /nfs/dbraw/zinc/20/12/57/722201257.db2.gz NSAYPDJTSVDBJO-FQEVSTJZSA-N 1 1 420.866 4.536 20 30 HJEDMO N#Cc1cc(Cl)nc(C(F)(F)N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995431 722201266 /nfs/dbraw/zinc/20/12/66/722201266.db2.gz NSAYPDJTSVDBJO-FQEVSTJZSA-N 1 1 420.866 4.536 20 30 HJEDMO Cc1ccc([C@H](C#N)c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nn2)cc1 ZINC001164620421 719057990 /nfs/dbraw/zinc/05/79/90/719057990.db2.gz DXIHAQXOEMNSKP-GNKBHMEESA-N 1 1 423.564 4.541 20 30 HJEDMO N#Cc1cc(C(F)(F)N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cnc1Cl ZINC001164995380 722200458 /nfs/dbraw/zinc/20/04/58/722200458.db2.gz MXKXLECQQVBTFB-HXUWFJFHSA-N 1 1 420.866 4.536 20 30 HJEDMO N#Cc1cc(C(F)(F)N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)cnc1Cl ZINC001164995380 722200464 /nfs/dbraw/zinc/20/04/64/722200464.db2.gz MXKXLECQQVBTFB-HXUWFJFHSA-N 1 1 420.866 4.536 20 30 HJEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164996674 722201418 /nfs/dbraw/zinc/20/14/18/722201418.db2.gz VDVFXIFJUQQZHZ-HXUWFJFHSA-N 1 1 420.866 4.536 20 30 HJEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164996674 722201423 /nfs/dbraw/zinc/20/14/23/722201423.db2.gz VDVFXIFJUQQZHZ-HXUWFJFHSA-N 1 1 420.866 4.536 20 30 HJEDMO N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165044993 721925278 /nfs/dbraw/zinc/92/52/78/721925278.db2.gz XVCVKGDVRMWGPD-DEOSSOPVSA-N 1 1 424.548 4.588 20 30 HJEDMO N#Cc1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc2ccc(Cl)cc12 ZINC001164959782 722024061 /nfs/dbraw/zinc/02/40/61/722024061.db2.gz IOPLPNUGZBEXRV-UHFFFAOYSA-N 1 1 417.944 4.647 20 30 HJEDMO N#Cc1cc(C(F)(F)N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cc(Cl)n1 ZINC001164994191 722199054 /nfs/dbraw/zinc/19/90/54/722199054.db2.gz LLYZLMUZHYJLMY-FQEVSTJZSA-N 1 1 420.866 4.536 20 30 HJEDMO N#Cc1cc(C(F)(F)N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)cc(Cl)n1 ZINC001164994191 722199057 /nfs/dbraw/zinc/19/90/57/722199057.db2.gz LLYZLMUZHYJLMY-FQEVSTJZSA-N 1 1 420.866 4.536 20 30 HJEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c12 ZINC001164860244 721023166 /nfs/dbraw/zinc/02/31/66/721023166.db2.gz KJYGBJAJYODAOI-INIZCTEOSA-N 1 1 422.964 4.686 20 30 HJEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164996278 722201083 /nfs/dbraw/zinc/20/10/83/722201083.db2.gz SQGAHWIYVYJVBB-HXUWFJFHSA-N 1 1 420.866 4.536 20 30 HJEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164996278 722201084 /nfs/dbraw/zinc/20/10/84/722201084.db2.gz SQGAHWIYVYJVBB-HXUWFJFHSA-N 1 1 420.866 4.536 20 30 HJEDMO CCCc1cc(C#N)c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1Cl ZINC001165026397 721815735 /nfs/dbraw/zinc/81/57/35/721815735.db2.gz PRMFZQIPONDASH-NYVOZVTQSA-N 1 1 423.992 4.691 20 30 HJEDMO C=CCOC[C@@H]1CCC[C@]12CN(c1ccc([C@@H]3CCCC[N@@H+]3CCC)cn1)CCO2 ZINC001164976951 722169831 /nfs/dbraw/zinc/16/98/31/722169831.db2.gz LLBPNIIQNPZPGE-LSQMVHIFSA-N 1 1 413.606 4.597 20 30 HJEDMO N#Cc1cc(C(F)(F)N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cc(Cl)n1 ZINC001164994193 722199029 /nfs/dbraw/zinc/19/90/29/722199029.db2.gz LLYZLMUZHYJLMY-HXUWFJFHSA-N 1 1 420.866 4.536 20 30 HJEDMO N#Cc1cc(C(F)(F)N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)cc(Cl)n1 ZINC001164994193 722199031 /nfs/dbraw/zinc/19/90/31/722199031.db2.gz LLYZLMUZHYJLMY-HXUWFJFHSA-N 1 1 420.866 4.536 20 30 HJEDMO N#Cc1cc(Cl)nc(C(F)(F)N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995433 722200886 /nfs/dbraw/zinc/20/08/86/722200886.db2.gz NSAYPDJTSVDBJO-HXUWFJFHSA-N 1 1 420.866 4.536 20 30 HJEDMO N#Cc1cc(Cl)nc(C(F)(F)N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995433 722200887 /nfs/dbraw/zinc/20/08/87/722200887.db2.gz NSAYPDJTSVDBJO-HXUWFJFHSA-N 1 1 420.866 4.536 20 30 HJEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)c(Cl)cc2C#N)CC3)cs1 ZINC001164692999 719809250 /nfs/dbraw/zinc/80/92/50/719809250.db2.gz ORZLIIDFNNIUAN-UHFFFAOYSA-N 1 1 422.385 4.660 20 30 HJEDMO N#Cc1cnc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)c2cc(-c3ccccc3)sc21 ZINC001164774234 721290414 /nfs/dbraw/zinc/29/04/14/721290414.db2.gz YAYLJFWJWMXJKM-UHFFFAOYSA-N 1 1 400.551 4.757 20 30 HJEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)c(Cl)cc1C#N)CC2 ZINC001164792285 721495391 /nfs/dbraw/zinc/49/53/91/721495391.db2.gz NAENTTSUQIBMGY-UHFFFAOYSA-N 1 1 416.356 4.536 20 30 HJEDMO Cc1ccc([C@H](C#N)c2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nn2)cc1 ZINC001164620424 719058594 /nfs/dbraw/zinc/05/85/94/719058594.db2.gz DXIHAQXOEMNSKP-USZFVNFHSA-N 1 1 423.564 4.541 20 30 HJEDMO N#CCCN(c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3)C1CCCC1 ZINC001165017194 721835709 /nfs/dbraw/zinc/83/57/09/721835709.db2.gz IVPJTVRWXQAXMB-UHFFFAOYSA-N 1 1 409.603 4.829 20 30 HJEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164996276 722201369 /nfs/dbraw/zinc/20/13/69/722201369.db2.gz SQGAHWIYVYJVBB-FQEVSTJZSA-N 1 1 420.866 4.536 20 30 HJEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164996276 722201374 /nfs/dbraw/zinc/20/13/74/722201374.db2.gz SQGAHWIYVYJVBB-FQEVSTJZSA-N 1 1 420.866 4.536 20 30 HJEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2nccc4ccc(C#N)cc42)CC3)cs1 ZINC001164691901 719807108 /nfs/dbraw/zinc/80/71/08/719807108.db2.gz AKDIKXLYDQLLEO-UHFFFAOYSA-N 1 1 403.555 4.506 20 30 HJEDMO CN(Cc1ccc(C#N)cc1)c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000216470247 721837433 /nfs/dbraw/zinc/83/74/33/721837433.db2.gz ZOYCLFQSBGEXKO-UHFFFAOYSA-N 1 1 413.550 4.928 20 30 HJEDMO Cc1ccc2nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c(C#N)c(Cl)c2c1 ZINC001164861582 721024580 /nfs/dbraw/zinc/02/45/80/721024580.db2.gz OZMJYZYQCNRLAT-MRXNPFEDSA-N 1 1 422.964 4.686 20 30 HJEDMO N#Cc1ccc(-c2cccs2)nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955659 722022146 /nfs/dbraw/zinc/02/21/46/722022146.db2.gz MIENSEYUFGNCES-UHFFFAOYSA-N 1 1 415.566 4.569 20 30 HJEDMO N#Cc1ccc(C(F)(F)N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1Cl ZINC001164995051 722192489 /nfs/dbraw/zinc/19/24/89/722192489.db2.gz ROFXYLQVVRCDIK-HXUWFJFHSA-N 1 1 420.866 4.536 20 30 HJEDMO N#Cc1ccc(C(F)(F)N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1Cl ZINC001164995051 722192492 /nfs/dbraw/zinc/19/24/92/722192492.db2.gz ROFXYLQVVRCDIK-HXUWFJFHSA-N 1 1 420.866 4.536 20 30 HJEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncccc2C#C[Si](C)(C)C)CC3)cs1 ZINC001164691668 719810968 /nfs/dbraw/zinc/81/09/68/719810968.db2.gz JLWWVFIQMZJJSO-UHFFFAOYSA-N 1 1 424.690 4.710 20 30 HJEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C#N)c(Cl)cc2Cl)CC3)cs1 ZINC001164692651 719815939 /nfs/dbraw/zinc/81/59/39/719815939.db2.gz QSPPTXYXGBEHNJ-UHFFFAOYSA-N 1 1 422.385 4.660 20 30 HJEDMO Cc1ccc2nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c(C#N)c(Cl)c2c1 ZINC001164861574 721023492 /nfs/dbraw/zinc/02/34/92/721023492.db2.gz OZMJYZYQCNRLAT-INIZCTEOSA-N 1 1 422.964 4.686 20 30 HJEDMO N#Cc1nc(Cl)ccc1C(F)(F)N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994663 722197399 /nfs/dbraw/zinc/19/73/99/722197399.db2.gz OXXHFZBNTYOZBE-HXUWFJFHSA-N 1 1 420.866 4.536 20 30 HJEDMO N#Cc1nc(Cl)ccc1C(F)(F)N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994663 722197400 /nfs/dbraw/zinc/19/74/00/722197400.db2.gz OXXHFZBNTYOZBE-HXUWFJFHSA-N 1 1 420.866 4.536 20 30 HJEDMO C=CCOC[C@@H]1CCC[C@@]12CN(c1ccc([C@H]3CCCC[N@@H+]3CCC)cn1)CCO2 ZINC001164976950 722169725 /nfs/dbraw/zinc/16/97/25/722169725.db2.gz LLBPNIIQNPZPGE-JBRSBNLGSA-N 1 1 413.606 4.597 20 30 HJEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994900 722193440 /nfs/dbraw/zinc/19/34/40/722193440.db2.gz QQFAWCNXLHQZOO-FQEVSTJZSA-N 1 1 420.866 4.536 20 30 HJEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994900 722193442 /nfs/dbraw/zinc/19/34/42/722193442.db2.gz QQFAWCNXLHQZOO-FQEVSTJZSA-N 1 1 420.866 4.536 20 30 HJEDMO N#Cc1c(Cl)cc(Cl)nc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995751 722212181 /nfs/dbraw/zinc/21/21/81/722212181.db2.gz KJLAYRWNMWUOAY-FQEVSTJZSA-N 1 1 405.304 4.644 20 30 HJEDMO N#Cc1cc(Cl)ncc1C(F)(F)N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995560 722205198 /nfs/dbraw/zinc/20/51/98/722205198.db2.gz OEGWNNISLKROOU-FQEVSTJZSA-N 1 1 420.866 4.536 20 30 HJEDMO N#Cc1cc(Cl)ncc1C(F)(F)N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995560 722205200 /nfs/dbraw/zinc/20/52/00/722205200.db2.gz OEGWNNISLKROOU-FQEVSTJZSA-N 1 1 420.866 4.536 20 30 HJEDMO C=CCN1C(=O)CC[C@]12CCCN(c1ccc([C@@H]3CCCC[N@@H+]3CCC)cn1)[C@H]2CC ZINC001164703220 719824310 /nfs/dbraw/zinc/82/43/10/719824310.db2.gz USMYJMGQMHAFHE-FXSPECFOSA-N 1 1 424.633 4.945 20 30 HJEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)cc(Cl)c1C#N)CC2 ZINC001164797086 721503178 /nfs/dbraw/zinc/50/31/78/721503178.db2.gz YTCQKAIODGGNEM-UHFFFAOYSA-N 1 1 416.356 4.536 20 30 HJEDMO N#Cc1ccc(C(F)(F)N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1Cl ZINC001164995048 722192510 /nfs/dbraw/zinc/19/25/10/722192510.db2.gz ROFXYLQVVRCDIK-FQEVSTJZSA-N 1 1 420.866 4.536 20 30 HJEDMO N#Cc1ccc(C(F)(F)N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1Cl ZINC001164995048 722192511 /nfs/dbraw/zinc/19/25/11/722192511.db2.gz ROFXYLQVVRCDIK-FQEVSTJZSA-N 1 1 420.866 4.536 20 30 HJEDMO CCCc1cc(C#N)c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1Cl ZINC001165026396 721815978 /nfs/dbraw/zinc/81/59/78/721815978.db2.gz PRMFZQIPONDASH-BWAGFHJFSA-N 1 1 423.992 4.691 20 30 HJEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C#N)c4ccccc4n2)CC3)cs1 ZINC001164693077 719813506 /nfs/dbraw/zinc/81/35/06/719813506.db2.gz TWDWJLJFFDHYBA-UHFFFAOYSA-N 1 1 403.555 4.506 20 30 HJEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c12 ZINC001164860246 721024497 /nfs/dbraw/zinc/02/44/97/721024497.db2.gz KJYGBJAJYODAOI-MRXNPFEDSA-N 1 1 422.964 4.686 20 30 HJEDMO CCCc1cc(C#N)c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1Cl ZINC001165026399 721815719 /nfs/dbraw/zinc/81/57/19/721815719.db2.gz PRMFZQIPONDASH-YUXAGFNASA-N 1 1 423.992 4.691 20 30 HJEDMO C=CCOC[C@@H]1CCC[C@]12CN(c1ccc([C@H]3CCCC[N@@H+]3CCC)cn1)CCO2 ZINC001164976949 722169719 /nfs/dbraw/zinc/16/97/19/722169719.db2.gz LLBPNIIQNPZPGE-ARNLJNQMSA-N 1 1 413.606 4.597 20 30 HJEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)cc(Cl)c2C#N)CC3)cs1 ZINC001164703638 719816021 /nfs/dbraw/zinc/81/60/21/719816021.db2.gz WJNOXDXVWGLGQF-UHFFFAOYSA-N 1 1 422.385 4.660 20 30 HJEDMO N#Cc1nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(Cl)cc1Cl ZINC001164998812 722212404 /nfs/dbraw/zinc/21/24/04/722212404.db2.gz YJSXLFRPCTUFCS-HXUWFJFHSA-N 1 1 405.304 4.644 20 30 HJEDMO N#Cc1nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(Cl)cc1Cl ZINC001164998812 722212405 /nfs/dbraw/zinc/21/24/05/722212405.db2.gz YJSXLFRPCTUFCS-HXUWFJFHSA-N 1 1 405.304 4.644 20 30 HJEDMO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164724468 720490737 /nfs/dbraw/zinc/49/07/37/720490737.db2.gz GIXKKHRVXPFTNF-RBUKOAKNSA-N 1 1 424.335 4.661 20 30 HJEDMO N#Cc1cnc2cnc(Cl)cc2c1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164993255 722194400 /nfs/dbraw/zinc/19/44/00/722194400.db2.gz DLXRXADZMWVEJZ-HSZRJFAPSA-N 1 1 421.907 4.539 20 30 HJEDMO N#CCCN(c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3)C1CCCC1 ZINC001165017450 721835687 /nfs/dbraw/zinc/83/56/87/721835687.db2.gz MJHLRPZGXLFIJE-UHFFFAOYSA-N 1 1 409.603 4.829 20 30 HJEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncccc1C#C[Si](C)(C)C)CC2 ZINC001164796754 721497818 /nfs/dbraw/zinc/49/78/18/721497818.db2.gz WWDQQWBYIUXSHT-UHFFFAOYSA-N 1 1 418.661 4.587 20 30 HJEDMO C=CCOC[C@@H]1CCC[C@@]12CN(c1ccc([C@@H]3CCCC[N@@H+]3CCC)cn1)CCO2 ZINC001164976952 722169782 /nfs/dbraw/zinc/16/97/82/722169782.db2.gz LLBPNIIQNPZPGE-SONWIMMPSA-N 1 1 413.606 4.597 20 30 HJEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(C#C[Si](C)(C)C)ccn1)CC2 ZINC001164796260 721503971 /nfs/dbraw/zinc/50/39/71/721503971.db2.gz QSPVCJROPKJQCO-UHFFFAOYSA-N 1 1 418.661 4.587 20 30 HJEDMO N#Cc1c(Cl)c2ccccc2nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955663 722021320 /nfs/dbraw/zinc/02/13/20/722021320.db2.gz MKKWULDKSRQGAA-UHFFFAOYSA-N 1 1 417.944 4.647 20 30 HJEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994906 722193835 /nfs/dbraw/zinc/19/38/35/722193835.db2.gz QQFAWCNXLHQZOO-HXUWFJFHSA-N 1 1 420.866 4.536 20 30 HJEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994906 722193837 /nfs/dbraw/zinc/19/38/37/722193837.db2.gz QQFAWCNXLHQZOO-HXUWFJFHSA-N 1 1 420.866 4.536 20 30 HJEDMO N#Cc1nc(Cl)ccc1C(F)(F)N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994660 722197282 /nfs/dbraw/zinc/19/72/82/722197282.db2.gz OXXHFZBNTYOZBE-FQEVSTJZSA-N 1 1 420.866 4.536 20 30 HJEDMO N#Cc1nc(Cl)ccc1C(F)(F)N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994660 722197283 /nfs/dbraw/zinc/19/72/83/722197283.db2.gz OXXHFZBNTYOZBE-FQEVSTJZSA-N 1 1 420.866 4.536 20 30 HJEDMO N#Cc1c(Cl)cc(Cl)nc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995753 722212257 /nfs/dbraw/zinc/21/22/57/722212257.db2.gz KJLAYRWNMWUOAY-HXUWFJFHSA-N 1 1 405.304 4.644 20 30 HJEDMO Cc1ccc([C@H](C#N)c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nn2)cc1 ZINC001164620422 719058172 /nfs/dbraw/zinc/05/81/72/719058172.db2.gz DXIHAQXOEMNSKP-KYPHJKQUSA-N 1 1 423.564 4.541 20 30 HJEDMO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164724461 720490423 /nfs/dbraw/zinc/49/04/23/720490423.db2.gz GIXKKHRVXPFTNF-MOPGFXCFSA-N 1 1 424.335 4.661 20 30 HJEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(C#N)c(Cl)cc1Cl)CC2 ZINC001164796581 721502921 /nfs/dbraw/zinc/50/29/21/721502921.db2.gz SNIPJGVSLKBBNK-UHFFFAOYSA-N 1 1 416.356 4.536 20 30 HJEDMO N#Cc1cc(C(F)(F)N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cnc1Cl ZINC001164995379 722200341 /nfs/dbraw/zinc/20/03/41/722200341.db2.gz MXKXLECQQVBTFB-FQEVSTJZSA-N 1 1 420.866 4.536 20 30 HJEDMO N#Cc1cc(C(F)(F)N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)cnc1Cl ZINC001164995379 722200345 /nfs/dbraw/zinc/20/03/45/722200345.db2.gz MXKXLECQQVBTFB-FQEVSTJZSA-N 1 1 420.866 4.536 20 30 HJEDMO CCCc1cc(C#N)c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1Cl ZINC001165026398 721815849 /nfs/dbraw/zinc/81/58/49/721815849.db2.gz PRMFZQIPONDASH-VLCRHTCISA-N 1 1 423.992 4.691 20 30 HJEDMO Cc1ccc([C@H](C#N)c2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nn2)cc1 ZINC001164620423 719058375 /nfs/dbraw/zinc/05/83/75/719058375.db2.gz DXIHAQXOEMNSKP-RMTZWNOUSA-N 1 1 423.564 4.541 20 30 HJEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C#C[Si](C)(C)C)ccn2)CC3)cs1 ZINC001164697194 719816711 /nfs/dbraw/zinc/81/67/11/719816711.db2.gz ARXAQXHMEMFFRC-UHFFFAOYSA-N 1 1 424.690 4.710 20 30 HJEDMO N#Cc1cnc2cnc(Cl)cc2c1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164993256 722194584 /nfs/dbraw/zinc/19/45/84/722194584.db2.gz DLXRXADZMWVEJZ-QHCPKHFHSA-N 1 1 421.907 4.539 20 30 HJEDMO N#Cc1cc(Cl)c(Cl)nc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994430 722199637 /nfs/dbraw/zinc/19/96/37/722199637.db2.gz GPZSISXWBWCRAL-HXUWFJFHSA-N 1 1 405.304 4.644 20 30 HJEDMO N#Cc1cc(Cl)ncc1C(F)(F)N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995564 722204804 /nfs/dbraw/zinc/20/48/04/722204804.db2.gz OEGWNNISLKROOU-HXUWFJFHSA-N 1 1 420.866 4.536 20 30 HJEDMO N#Cc1cc(Cl)ncc1C(F)(F)N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995564 722204808 /nfs/dbraw/zinc/20/48/08/722204808.db2.gz OEGWNNISLKROOU-HXUWFJFHSA-N 1 1 420.866 4.536 20 30 HJEDMO C=CCN1C(=O)CC[C@]12CCCN(c1ccc([C@@H]3CCCC[N@@H+]3CCC)cn1)[C@@H]2CC ZINC001164703226 719824203 /nfs/dbraw/zinc/82/42/03/719824203.db2.gz USMYJMGQMHAFHE-ZEVJAHDQSA-N 1 1 424.633 4.945 20 30 HJEDMO C=CCN1C(=O)CC[C@]12CCCN(c1ccc([C@H]3CCCC[N@@H+]3CCC)cn1)[C@H]2CC ZINC001164703224 719824302 /nfs/dbraw/zinc/82/43/02/719824302.db2.gz USMYJMGQMHAFHE-UMFSSWHCSA-N 1 1 424.633 4.945 20 30 HJEDMO