smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Nc2ccc(O)cc2)c2cc(Cl)ccc2[nH+]1 ZINC000000071615 567817571 /nfs/dbraw/zinc/81/75/71/567817571.db2.gz FIKFAFBESBWJFH-UHFFFAOYSA-N 1 1 284.746 4.646 50 0 CJAAMO COc1ccc(Nc2cc(C)[nH+]c3cc(Cl)ccc23)cc1 ZINC000000120843 567923143 /nfs/dbraw/zinc/92/31/43/567923143.db2.gz AXBYHCIXCQAKLA-UHFFFAOYSA-N 1 1 298.773 4.949 50 0 CJAAMO Cc1cc(Nc2cccc(O)c2)c2cc(Cl)ccc2[nH+]1 ZINC000000143879 567053658 /nfs/dbraw/zinc/05/36/58/567053658.db2.gz MDARFFPWGAYDKJ-UHFFFAOYSA-N 1 1 284.746 4.646 50 0 CJAAMO Cc1c2ccccc2sc1C[N@H+]1CCc2ccccc2C1 ZINC000000153850 567820329 /nfs/dbraw/zinc/82/03/29/567820329.db2.gz QTYBGUQJNPTWBX-UHFFFAOYSA-N 1 1 293.435 4.768 50 0 CJAAMO Cc1cc(C)c2c(C)cc(Nc3ccccc3)[nH+]c2c1 ZINC000000178560 567821777 /nfs/dbraw/zinc/82/17/77/567821777.db2.gz YFCWKIXGWIMLAM-UHFFFAOYSA-N 1 1 262.356 4.904 50 0 CJAAMO CC(C)(C)Nc1c(-c2cccc(Cl)c2)[nH+]c2ccccn21 ZINC000000320139 567926773 /nfs/dbraw/zinc/92/67/73/567926773.db2.gz IMQFUJRWTLXEHV-UHFFFAOYSA-N 1 1 299.805 4.865 50 0 CJAAMO Cc1ccc(-c2[nH+]c3cccc(C)n3c2NC(C)(C)C)cc1 ZINC000000320160 567926716 /nfs/dbraw/zinc/92/67/16/567926716.db2.gz XXNHPJNPQRMQHI-UHFFFAOYSA-N 1 1 293.414 4.829 50 0 CJAAMO Cc1cccc2[nH+]c(-c3ccc(F)cc3)c(NC(C)(C)C)n21 ZINC000000320164 567926742 /nfs/dbraw/zinc/92/67/42/567926742.db2.gz BXYSDGLMPYYJLD-UHFFFAOYSA-N 1 1 297.377 4.659 50 0 CJAAMO Cc1cccc(-c2[nH+]c3cccc(C)n3c2NC(C)(C)C)c1 ZINC000000320185 567926873 /nfs/dbraw/zinc/92/68/73/567926873.db2.gz OSVUVDRIOFCSCS-UHFFFAOYSA-N 1 1 293.414 4.829 50 0 CJAAMO Cc1ccc(-c2[nH+]c3cc(C)ccn3c2NC(C)(C)C)cc1 ZINC000000320204 567926888 /nfs/dbraw/zinc/92/68/88/567926888.db2.gz BLDPMKSFHSQYPB-UHFFFAOYSA-N 1 1 293.414 4.829 50 0 CJAAMO Cc1ccn2c(c1)[nH+]c(-c1ccccc1F)c2NC(C)(C)C ZINC000000320212 567926831 /nfs/dbraw/zinc/92/68/31/567926831.db2.gz ATHVOFYEVCTEFS-UHFFFAOYSA-N 1 1 297.377 4.659 50 0 CJAAMO Cc1ccn2c(c1)[nH+]c(-c1cccc(F)c1)c2NC(C)(C)C ZINC000000320228 169607712 /nfs/dbraw/zinc/60/77/12/169607712.db2.gz XDZFBQJRNUMQDY-UHFFFAOYSA-N 1 1 297.377 4.659 50 0 CJAAMO Cc1ccn2c(c1)[nH+]c(-c1cccc(C)c1)c2NC(C)(C)C ZINC000000320234 567926690 /nfs/dbraw/zinc/92/66/90/567926690.db2.gz RABBRBKCWKETLV-UHFFFAOYSA-N 1 1 293.414 4.829 50 0 CJAAMO Cc1ccc(-c2[nH+]c3c(C)cccn3c2NC(C)(C)C)cc1 ZINC000000320322 169607987 /nfs/dbraw/zinc/60/79/87/169607987.db2.gz KMWNJHPDXNRLKC-UHFFFAOYSA-N 1 1 293.414 4.829 50 0 CJAAMO Cc1ccc(-c2[nH+]c3ccc(C)cn3c2NC(C)(C)C)cc1 ZINC000000320369 567926811 /nfs/dbraw/zinc/92/68/11/567926811.db2.gz OQGBVFUFJVLLLQ-UHFFFAOYSA-N 1 1 293.414 4.829 50 0 CJAAMO Cc1ccc2[nH+]c(-c3ccc(F)cc3)c(NC(C)(C)C)n2c1 ZINC000000320373 567926684 /nfs/dbraw/zinc/92/66/84/567926684.db2.gz AFVFKXVTCRBWEH-UHFFFAOYSA-N 1 1 297.377 4.659 50 0 CJAAMO Cc1ccc2[nH+]c(-c3cccs3)c(NC(C)(C)C)n2c1 ZINC000000320379 567926840 /nfs/dbraw/zinc/92/68/40/567926840.db2.gz OIAGWHNUOTWSNH-UHFFFAOYSA-N 1 1 285.416 4.582 50 0 CJAAMO Cc1ccc2[nH+]c(-c3ccccc3F)c(NC(C)(C)C)n2c1 ZINC000000320380 567926736 /nfs/dbraw/zinc/92/67/36/567926736.db2.gz WUJRAIHOLXLVQE-UHFFFAOYSA-N 1 1 297.377 4.659 50 0 CJAAMO Cc1ccc2[nH+]c(-c3cccc(F)c3)c(NC(C)(C)C)n2c1 ZINC000000320401 567926659 /nfs/dbraw/zinc/92/66/59/567926659.db2.gz HVASIVCPBPGJGM-UHFFFAOYSA-N 1 1 297.377 4.659 50 0 CJAAMO Cc1ccc2[nH+]c(-c3ccccc3C)c(NC(C)(C)C)n2c1 ZINC000000320402 567926788 /nfs/dbraw/zinc/92/67/88/567926788.db2.gz YRNTYUZHSZQHFQ-UHFFFAOYSA-N 1 1 293.414 4.829 50 0 CJAAMO Cc1cccc(-c2[nH+]c3ccc(C)cn3c2NC(C)(C)C)c1 ZINC000000320407 567926698 /nfs/dbraw/zinc/92/66/98/567926698.db2.gz SSHRVOSKYRWKTK-UHFFFAOYSA-N 1 1 293.414 4.829 50 0 CJAAMO Cc1[nH+]c2ccc(Cl)cc2c2c1CCN2c1ccccc1 ZINC000000344247 567927018 /nfs/dbraw/zinc/92/70/18/567927018.db2.gz MGEIQNHPDIPDNE-UHFFFAOYSA-N 1 1 294.785 4.891 50 0 CJAAMO Cc1[nH+]c(C)c(Cl)c(NCc2ccccc2)c1Cl ZINC000000392067 567828658 /nfs/dbraw/zinc/82/86/58/567828658.db2.gz TYOAQRZHQRTVGF-UHFFFAOYSA-N 1 1 281.186 4.617 50 0 CJAAMO c1ccn(-c2cc(-c3ccccc3)[nH+]c3ccccc32)c1 ZINC000000407608 567829771 /nfs/dbraw/zinc/82/97/71/567829771.db2.gz GSLOZVOXUJQPLV-UHFFFAOYSA-N 1 1 270.335 4.693 50 0 CJAAMO Cc1[nH+]c(C)c(Cl)c(NCCc2ccccc2)c1Cl ZINC000000408153 567829713 /nfs/dbraw/zinc/82/97/13/567829713.db2.gz OBYJEYZASVVTLA-UHFFFAOYSA-N 1 1 295.213 4.660 50 0 CJAAMO Cc1ccc2[nH+]c(-c3cccs3)c(NC3CCCC3)n2c1 ZINC000000417894 567930301 /nfs/dbraw/zinc/93/03/01/567930301.db2.gz HILQQKQEMJPKCX-UHFFFAOYSA-N 1 1 297.427 4.726 50 0 CJAAMO c1ccc(Cn2c3ccccc3[nH+]c2Nc2ccccc2)cc1 ZINC000000508251 567833099 /nfs/dbraw/zinc/83/30/99/567833099.db2.gz QQZALSKVCZVWBY-UHFFFAOYSA-N 1 1 299.377 4.828 50 0 CJAAMO Clc1ccc(Nc2[nH]c3ccccc3[nH+]2)cc1Cl ZINC000000513042 230366267 /nfs/dbraw/zinc/36/62/67/230366267.db2.gz WJMDSPCWFQLKIN-UHFFFAOYSA-N 1 1 278.142 4.613 50 0 CJAAMO CCc1ccccc1Nc1[nH+]c2ccccc2n1C(C)C ZINC000000513204 529600847 /nfs/dbraw/zinc/60/08/47/529600847.db2.gz YKDDUTNHDBYTLW-UHFFFAOYSA-N 1 1 279.387 4.923 50 0 CJAAMO CCOc1ccc(Nc2[nH+]c3ccccc3n2C(C)C)cc1 ZINC000000513216 528556480 /nfs/dbraw/zinc/55/64/80/528556480.db2.gz FQVJKZZWTGYZNH-UHFFFAOYSA-N 1 1 295.386 4.760 50 0 CJAAMO CCCn1c2ccccc2[nH+]c1Nc1cccc(Cl)c1 ZINC000000513485 528828802 /nfs/dbraw/zinc/82/88/02/528828802.db2.gz DXLIDOYBDPPSQP-UHFFFAOYSA-N 1 1 285.778 4.843 50 0 CJAAMO CCCn1c2ccccc2[nH+]c1Nc1ccc(Cl)cc1 ZINC000000513491 528827758 /nfs/dbraw/zinc/82/77/58/528827758.db2.gz RTCQSFVZQCSWHR-UHFFFAOYSA-N 1 1 285.778 4.843 50 0 CJAAMO c1ccc(Nc2cccc(Nc3ccccc3)[nH+]2)cc1 ZINC000001137748 567836294 /nfs/dbraw/zinc/83/62/94/567836294.db2.gz VTANJBBCJPIRSD-UHFFFAOYSA-N 1 1 261.328 4.569 50 0 CJAAMO CCC[C@H]1CC[C@@]2(C)c3[nH]c4ccccc4c3CCC[N@@H+]2C1 ZINC000001280204 566861125 /nfs/dbraw/zinc/86/11/25/566861125.db2.gz OWJXGLSBEBNLMI-YWZLYKJASA-N 1 1 296.458 4.841 50 0 CJAAMO CCC[C@@H]1CCC[N@H+]2CCCc3c4ccccc4[nH]c3[C@@]12C ZINC000001280279 566859261 /nfs/dbraw/zinc/85/92/61/566859261.db2.gz HFTKZFPMMURMOX-FOIQADDNSA-N 1 1 296.458 4.841 50 0 CJAAMO c1[nH+]c2n(c1-c1ccc(-c3ccccc3)cc1)CCCCC2 ZINC000001509162 169710791 /nfs/dbraw/zinc/71/07/91/169710791.db2.gz YJAKNSVSOFNUEU-UHFFFAOYSA-N 1 1 288.394 4.944 50 0 CJAAMO C[N@@H+](C/C=C/c1ccccc1)Cc1cccc2ccccc21 ZINC000001530977 567837756 /nfs/dbraw/zinc/83/77/56/567837756.db2.gz OZGNYLLQHRPOBR-DHZHZOJOSA-N 1 1 287.406 4.985 50 0 fda CJAAMO Clc1ccc(N2C=[NH+]c3ccc(Cl)cc3C2)cc1 ZINC000001568729 567838032 /nfs/dbraw/zinc/83/80/32/567838032.db2.gz NODSXLGPQFDNLA-UHFFFAOYSA-N 1 1 277.154 4.673 50 0 CJAAMO c1ccc(C2=[NH+][C@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc1 ZINC000001648391 567907387 /nfs/dbraw/zinc/90/73/87/567907387.db2.gz UCCFUHZMGXEALP-WOJBJXKFSA-N 1 1 298.389 4.519 50 0 CJAAMO c1ccc(C2=[NH+][C@@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1 ZINC000001648392 567907506 /nfs/dbraw/zinc/90/75/06/567907506.db2.gz UCCFUHZMGXEALP-PMACEKPBSA-N 1 1 298.389 4.519 50 0 CJAAMO CCC[C@H]1CCC[N@H+]2CCCc3c4ccccc4[nH]c3[C@@]12C ZINC000002132967 566847515 /nfs/dbraw/zinc/84/75/15/566847515.db2.gz HFTKZFPMMURMOX-MGPUTAFESA-N 1 1 296.458 4.841 50 0 CJAAMO CCCCn1c[nH+]c2cc(NCc3cccs3)ccc21 ZINC000002464956 567846048 /nfs/dbraw/zinc/84/60/48/567846048.db2.gz MJUAYOVDKBAFQW-UHFFFAOYSA-N 1 1 285.416 4.510 50 0 CJAAMO CCCCOc1ccc(C[N@H+]2CCCC[C@H]2CC)cc1 ZINC000002489834 169794618 /nfs/dbraw/zinc/79/46/18/169794618.db2.gz AYBORCGVRBOEIZ-QGZVFWFLSA-N 1 1 275.436 4.630 50 0 CJAAMO CCCCOc1ccc(C[N@H+]2CCCC[C@@H]2CC)cc1 ZINC000002489838 567845980 /nfs/dbraw/zinc/84/59/80/567845980.db2.gz AYBORCGVRBOEIZ-KRWDZBQOSA-N 1 1 275.436 4.630 50 0 CJAAMO C/C=C1\[N@@H+](C)[C@H](C)CC1(c1ccccc1)c1ccccc1 ZINC000002504597 567941204 /nfs/dbraw/zinc/94/12/04/567941204.db2.gz AJRJPORIQGYFMT-IBCCMOFXSA-N 1 1 277.411 4.601 50 0 endogenous,world CJAAMO [NH2+]=C1c2ccccc2CN1c1ccc2c(c1)Cc1ccccc1-2 ZINC000002645165 567150993 /nfs/dbraw/zinc/15/09/93/567150993.db2.gz BPMPHOLBBNKSDI-UHFFFAOYSA-N 1 1 296.373 4.603 50 0 CJAAMO CCc1ccc(OCCCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000002821980 570371428 /nfs/dbraw/zinc/37/14/28/570371428.db2.gz PKNFTRYZNWKASG-UHFFFAOYSA-N 1 1 297.442 4.540 50 0 CJAAMO Cc1cc(OCCC[N@H+]2CCC[C@@H](C)C2)cc(C(C)C)c1 ZINC000002822322 567036437 /nfs/dbraw/zinc/03/64/37/567036437.db2.gz PRZJLXLGGDAOLW-MRXNPFEDSA-N 1 1 289.463 4.619 50 0 CJAAMO Cc1cc(OCCC[N@H+]2CCC[C@H](C)C2)cc(C(C)C)c1 ZINC000002822324 567037474 /nfs/dbraw/zinc/03/74/74/567037474.db2.gz PRZJLXLGGDAOLW-INIZCTEOSA-N 1 1 289.463 4.619 50 0 CJAAMO CCc1cccc(OCCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000002822399 567036896 /nfs/dbraw/zinc/03/68/96/567036896.db2.gz ABYMFPSLGSNZQQ-UHFFFAOYSA-N 1 1 297.442 4.540 50 0 CJAAMO Cc1cc(OCCC[N@H+]2CCC[C@@H](C)C2)ccc1C(C)C ZINC000002822931 567036520 /nfs/dbraw/zinc/03/65/20/567036520.db2.gz VCBKPUOPKGASCQ-MRXNPFEDSA-N 1 1 289.463 4.619 50 0 CJAAMO Cc1cc(OCCC[N@H+]2CCC[C@H](C)C2)ccc1C(C)C ZINC000002822933 169834804 /nfs/dbraw/zinc/83/48/04/169834804.db2.gz VCBKPUOPKGASCQ-INIZCTEOSA-N 1 1 289.463 4.619 50 0 CJAAMO CC(C)c1cccc(OCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000002823239 567037362 /nfs/dbraw/zinc/03/73/62/567037362.db2.gz VIOXUYBKWWBCHN-UHFFFAOYSA-N 1 1 297.442 4.711 50 0 CJAAMO Cc1ccc(OCCCC[N@@H+]2CCC[C@@H](C)C2)c(Cl)c1 ZINC000002824001 567036908 /nfs/dbraw/zinc/03/69/08/567036908.db2.gz QMVCCKPFOMOORM-OAHLLOKOSA-N 1 1 295.854 4.539 50 0 CJAAMO Cc1ccc(OCCCC[N@@H+]2CCC[C@H](C)C2)c(Cl)c1 ZINC000002824003 567036817 /nfs/dbraw/zinc/03/68/17/567036817.db2.gz QMVCCKPFOMOORM-HNNXBMFYSA-N 1 1 295.854 4.539 50 0 CJAAMO CC[C@H](C)c1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000002825361 169835313 /nfs/dbraw/zinc/83/53/13/169835313.db2.gz GIUAIQCDPLJTKQ-IRXDYDNUSA-N 1 1 289.463 4.701 50 0 CJAAMO Cc1cc(Cl)ccc1OCCC[N@H+](C)C1CCCCC1 ZINC000002931249 567850480 /nfs/dbraw/zinc/85/04/80/567850480.db2.gz XVLQDFLOEVGEOT-UHFFFAOYSA-N 1 1 295.854 4.682 50 0 CJAAMO Cc1ccc(C(C)C)c(OCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000003000939 567850956 /nfs/dbraw/zinc/85/09/56/567850956.db2.gz XYZHVPDNJGYOKL-QGZVFWFLSA-N 1 1 289.463 4.619 50 0 CJAAMO Cc1ccc(C(C)C)c(OCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000003000941 567851004 /nfs/dbraw/zinc/85/10/04/567851004.db2.gz XYZHVPDNJGYOKL-KRWDZBQOSA-N 1 1 289.463 4.619 50 0 CJAAMO Cc1ccc(OCCCC[N@H+](C)Cc2ccccc2)c(C)c1 ZINC000003001767 567850963 /nfs/dbraw/zinc/85/09/63/567850963.db2.gz HPUYVTVIJHBBHZ-UHFFFAOYSA-N 1 1 297.442 4.594 50 0 CJAAMO Cc1ccc(Cl)c(OCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000003003700 567851150 /nfs/dbraw/zinc/85/11/50/567851150.db2.gz QVUSWCYMMUOHHI-OAHLLOKOSA-N 1 1 295.854 4.539 50 0 CJAAMO Cc1ccc(Cl)c(OCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000003003702 567851214 /nfs/dbraw/zinc/85/12/14/567851214.db2.gz QVUSWCYMMUOHHI-HNNXBMFYSA-N 1 1 295.854 4.539 50 0 CJAAMO CCCC[N@@H+](C)CCCOc1cc(C)ccc1C(C)C ZINC000003461055 567852665 /nfs/dbraw/zinc/85/26/65/567852665.db2.gz SAZOBPUGCFQXGS-UHFFFAOYSA-N 1 1 277.452 4.619 50 0 CJAAMO CC[C@H]1CCCC[N@H+]1CCCCOc1cccc(Cl)c1 ZINC000003633601 567180366 /nfs/dbraw/zinc/18/03/66/567180366.db2.gz MZDPHEFACOEMHC-INIZCTEOSA-N 1 1 295.854 4.764 50 0 CJAAMO CC[C@@H]1CCCC[N@H+]1CCCCOc1cccc(Cl)c1 ZINC000003633602 567180227 /nfs/dbraw/zinc/18/02/27/567180227.db2.gz MZDPHEFACOEMHC-MRXNPFEDSA-N 1 1 295.854 4.764 50 0 CJAAMO Cc1ccn2c(c1)[nH+]c(-c1ccsc1)c2NC1CCCC1 ZINC000003911507 570329183 /nfs/dbraw/zinc/32/91/83/570329183.db2.gz ZEAFXBHMMBBXCH-UHFFFAOYSA-N 1 1 297.427 4.726 50 0 CJAAMO Cc1ccc2[nH+]c(-c3ccsc3)c(NC3CCCC3)n2c1 ZINC000003911522 570329280 /nfs/dbraw/zinc/32/92/80/570329280.db2.gz XJBXGAYVPSWJFX-UHFFFAOYSA-N 1 1 297.427 4.726 50 0 CJAAMO C(=CCC=CNc1ccccc1)C=[NH+]c1ccccc1 ZINC000003953784 567854689 /nfs/dbraw/zinc/85/46/89/567854689.db2.gz JITFHZOOTZRSKR-OUJOUEISSA-N 1 1 262.356 4.794 50 0 CJAAMO CCC[C@@H]1CC[C@]2(C)c3[nH]c4ccccc4c3CCC[N@@H+]2C1 ZINC000004028666 567184793 /nfs/dbraw/zinc/18/47/93/567184793.db2.gz OWJXGLSBEBNLMI-FOIQADDNSA-N 1 1 296.458 4.841 50 0 CJAAMO CCC[C@H]1CC[C@]2(C)c3[nH]c4ccccc4c3CCC[N@@H+]2C1 ZINC000004028667 567184124 /nfs/dbraw/zinc/18/41/24/567184124.db2.gz OWJXGLSBEBNLMI-MGPUTAFESA-N 1 1 296.458 4.841 50 0 CJAAMO CCC[C@@H]1CC[C@@]2(C)c3[nH]c4ccccc4c3CCC[N@@H+]2C1 ZINC000004028668 567184141 /nfs/dbraw/zinc/18/41/41/567184141.db2.gz OWJXGLSBEBNLMI-QRWLVFNGSA-N 1 1 296.458 4.841 50 0 CJAAMO Cc1ccccc1Nc1[nH+]c2ccccc2n1C(C)C ZINC000004115050 567855537 /nfs/dbraw/zinc/85/55/37/567855537.db2.gz MKJWUVGTVBUIOB-UHFFFAOYSA-N 1 1 265.360 4.669 50 0 CJAAMO c1ccc(C2=[NH+][C@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1 ZINC000004130939 567855281 /nfs/dbraw/zinc/85/52/81/567855281.db2.gz UCCFUHZMGXEALP-BGYRXZFFSA-N 1 1 298.389 4.519 50 0 CJAAMO Cc1c(C)c(C)c(C[N@@H+]2CCCC[C@@H]2C)c(C)c1C ZINC000004322049 567856519 /nfs/dbraw/zinc/85/65/19/567856519.db2.gz IBRLIOWTTKEVPB-LBPRGKRZSA-N 1 1 259.437 4.603 50 0 CJAAMO Cc1c(C)c(C)c(C[N@@H+]2CCCC[C@H]2C)c(C)c1C ZINC000004322050 567856570 /nfs/dbraw/zinc/85/65/70/567856570.db2.gz IBRLIOWTTKEVPB-GFCCVEGCSA-N 1 1 259.437 4.603 50 0 CJAAMO CCCC[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000004600011 570235387 /nfs/dbraw/zinc/23/53/87/570235387.db2.gz ADEFHLXMIVLHGT-UHFFFAOYSA-N 1 1 271.379 4.628 50 0 CJAAMO CCCC[N@@H+](Cc1ccccc1)Cc1ccccc1F ZINC000004615060 567894056 /nfs/dbraw/zinc/89/40/56/567894056.db2.gz VRCWKJQOKDGBEQ-UHFFFAOYSA-N 1 1 271.379 4.628 50 0 CJAAMO C[N@@H+](Cc1ccccc1)Cc1ccc(Cl)cc1Cl ZINC000004688981 567901908 /nfs/dbraw/zinc/90/19/08/567901908.db2.gz XTLGEQXWLXXMJL-UHFFFAOYSA-N 1 1 280.198 4.625 50 0 CJAAMO C[N@H+](Cc1ccccc1)Cc1ccc(Cl)cc1Cl ZINC000004688981 567901907 /nfs/dbraw/zinc/90/19/07/567901907.db2.gz XTLGEQXWLXXMJL-UHFFFAOYSA-N 1 1 280.198 4.625 50 0 CJAAMO C[N@@H+](Cc1cccc2ccccc21)C1CCCCC1 ZINC000004695064 170000338 /nfs/dbraw/zinc/00/03/38/170000338.db2.gz OPKBVTHOSDXZAW-UHFFFAOYSA-N 1 1 253.389 4.604 50 0 CJAAMO COc1ccc2ccccc2c1C[N@@H+](C)C1CCCCC1 ZINC000004695065 170000301 /nfs/dbraw/zinc/00/03/01/170000301.db2.gz QDIUWZKTEXEYTH-UHFFFAOYSA-N 1 1 283.415 4.613 50 0 CJAAMO Cc1ccc(C(C)C)c(OCC[N@@H+](C)Cc2ccccc2)c1 ZINC000004845238 170029700 /nfs/dbraw/zinc/02/97/00/170029700.db2.gz LELCFPICDGUURL-UHFFFAOYSA-N 1 1 297.442 4.629 50 0 CJAAMO CC[C@@H](C)c1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000004915155 170040302 /nfs/dbraw/zinc/04/03/02/170040302.db2.gz GIUAIQCDPLJTKQ-DLBZAZTESA-N 1 1 289.463 4.701 50 0 CJAAMO Cc1ccc(C(C)C)c(OCC[N@@H+](C)C2CCCCC2)c1 ZINC000004978627 170048108 /nfs/dbraw/zinc/04/81/08/170048108.db2.gz BBUWGXVMGYJFNS-UHFFFAOYSA-N 1 1 289.463 4.762 50 0 CJAAMO CCCC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(C)c1 ZINC000004987148 520545413 /nfs/dbraw/zinc/54/54/13/520545413.db2.gz KRWDVYNEZULAGL-UHFFFAOYSA-N 1 1 297.442 4.806 50 0 CJAAMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c2ccccc12 ZINC000004988055 567888244 /nfs/dbraw/zinc/88/82/44/567888244.db2.gz YCCJWDVJSURJDM-MRXNPFEDSA-N 1 1 283.415 4.613 50 0 CJAAMO CC[C@H]1CCCC[N@H+]1Cc1ccc(OC)c2ccccc12 ZINC000004988059 567888088 /nfs/dbraw/zinc/88/80/88/567888088.db2.gz YCCJWDVJSURJDM-INIZCTEOSA-N 1 1 283.415 4.613 50 0 CJAAMO C[C@@H]1CCC[N@@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000004989027 170049986 /nfs/dbraw/zinc/04/99/86/170049986.db2.gz VAWKTHGPQLDLLH-MRXNPFEDSA-N 1 1 281.399 4.711 50 0 CJAAMO C[C@H]1CCC[N@@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000004989028 170050012 /nfs/dbraw/zinc/05/00/12/170050012.db2.gz VAWKTHGPQLDLLH-INIZCTEOSA-N 1 1 281.399 4.711 50 0 CJAAMO Cc1cc(Nc2ccccc2)c2cc(Cl)ccc2[nH+]1 ZINC000005587561 170116694 /nfs/dbraw/zinc/11/66/94/170116694.db2.gz PIIKRQMINVFQLY-UHFFFAOYSA-N 1 1 268.747 4.940 50 0 CJAAMO COc1ccc(Nc2cc(C)[nH+]c3ccc(Cl)cc23)cc1 ZINC000006201052 170181914 /nfs/dbraw/zinc/18/19/14/170181914.db2.gz CAAWGRYEDLTRTF-UHFFFAOYSA-N 1 1 298.773 4.949 50 0 CJAAMO COc1ccccc1Nc1cc(C)[nH+]c2ccc(Cl)cc12 ZINC000006201054 170181979 /nfs/dbraw/zinc/18/19/79/170181979.db2.gz ZTERNSJERFTLAL-UHFFFAOYSA-N 1 1 298.773 4.949 50 0 CJAAMO Cc1ccccc1OCCCCCC[N@@H+]1CCCC[C@@H]1C ZINC000006218581 525283814 /nfs/dbraw/zinc/28/38/14/525283814.db2.gz JFSFPVUJKFXOMT-SFHVURJKSA-N 1 1 289.463 4.809 50 0 CJAAMO Cc1ccccc1OCCCCCC[N@@H+]1CCCC[C@H]1C ZINC000006218584 525284555 /nfs/dbraw/zinc/28/45/55/525284555.db2.gz JFSFPVUJKFXOMT-GOSISDBHSA-N 1 1 289.463 4.809 50 0 CJAAMO CC[N@@H+](CC(=O)c1ccc2ccccc2c1)C1CCCCC1 ZINC000006432439 170201126 /nfs/dbraw/zinc/20/11/26/170201126.db2.gz POUFCPOLMCLUQC-UHFFFAOYSA-N 1 1 295.426 4.677 50 0 CJAAMO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(C)o3)oc21 ZINC000006651322 170222187 /nfs/dbraw/zinc/22/21/87/170222187.db2.gz NGTURVKCHUIQQZ-CYBMUJFWSA-N 1 1 299.370 4.584 50 0 CJAAMO CCOc1cccc2cc([C@H](C)[NH2+]Cc3ccc(C)o3)oc21 ZINC000006651326 170222242 /nfs/dbraw/zinc/22/22/42/170222242.db2.gz NGTURVKCHUIQQZ-ZDUSSCGKSA-N 1 1 299.370 4.584 50 0 CJAAMO CCCCn1c2ccccc2[nH+]c1Nc1ccc(F)cc1 ZINC000006856780 170250001 /nfs/dbraw/zinc/25/00/01/170250001.db2.gz MBPZJKQNCOGQGI-UHFFFAOYSA-N 1 1 283.350 4.719 50 0 CJAAMO CCc1c(C[N@H+](CC)Cc2ccccc2)csc1C ZINC000006895148 170253905 /nfs/dbraw/zinc/25/39/05/170253905.db2.gz DNBJOFXPLDYXDY-UHFFFAOYSA-N 1 1 273.445 4.641 50 0 CJAAMO Clc1ccc2c(NCc3ccccc3)cc[nH+]c2c1 ZINC000006941166 170257388 /nfs/dbraw/zinc/25/73/88/170257388.db2.gz IMBPMAAMRHSTEU-UHFFFAOYSA-N 1 1 268.747 4.500 50 0 CJAAMO Cc1cc(NCC2CCCCC2)[nH+]c2ccccc12 ZINC000007004766 170261568 /nfs/dbraw/zinc/26/15/68/170261568.db2.gz GHKCUYOQOJIXEZ-UHFFFAOYSA-N 1 1 254.377 4.535 50 0 CJAAMO Clc1ccccc1C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000007524205 170288682 /nfs/dbraw/zinc/28/86/82/170288682.db2.gz HZKQBRJGXUPGHE-UHFFFAOYSA-N 1 1 297.785 4.890 50 0 CJAAMO Cc1ccc(C[NH2+]Cc2c(Cl)cccc2Cl)cc1 ZINC000007537836 170289675 /nfs/dbraw/zinc/28/96/75/170289675.db2.gz OORRSLFLSJENFQ-UHFFFAOYSA-N 1 1 280.198 4.592 50 0 CJAAMO C[N@@H+](C/C=C\c1ccccc1)Cc1cccc2ccccc21 ZINC000007997897 170313116 /nfs/dbraw/zinc/31/31/16/170313116.db2.gz OZGNYLLQHRPOBR-FLIBITNWSA-N 1 1 287.406 4.985 50 0 fda CJAAMO COc1cccc(Nc2cc(C)[nH+]c3ccc(Cl)cc23)c1 ZINC000008300394 170329609 /nfs/dbraw/zinc/32/96/09/170329609.db2.gz YLMVNNFOWWTGAE-UHFFFAOYSA-N 1 1 298.773 4.949 50 0 CJAAMO Cc1[nH+]c2cc(C)c(C)cc2n1CCCc1ccccc1 ZINC000009250283 170368626 /nfs/dbraw/zinc/36/86/26/170368626.db2.gz IGXGEVAZEBRKTB-UHFFFAOYSA-N 1 1 278.399 4.594 50 0 CJAAMO CC[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccccc2C)oc1C ZINC000012473437 567863443 /nfs/dbraw/zinc/86/34/43/567863443.db2.gz SQECJRKEOAANAF-MRXNPFEDSA-N 1 1 298.430 4.723 50 0 CJAAMO CC[C@H]1CCCC[N@H+]1Cc1nc(-c2ccccc2C)oc1C ZINC000012473443 567863732 /nfs/dbraw/zinc/86/37/32/567863732.db2.gz SQECJRKEOAANAF-INIZCTEOSA-N 1 1 298.430 4.723 50 0 CJAAMO CCCCn1c2ccccc2[nH+]c1Nc1ccccc1 ZINC000013153250 567865227 /nfs/dbraw/zinc/86/52/27/567865227.db2.gz RRKDBOSSTWPQFA-UHFFFAOYSA-N 1 1 265.360 4.580 50 0 CJAAMO CCCCn1c2ccccc2[nH+]c1Nc1ccc(OC)cc1 ZINC000013153269 567865329 /nfs/dbraw/zinc/86/53/29/567865329.db2.gz VDWRGJTVCVIHSN-UHFFFAOYSA-N 1 1 295.386 4.589 50 0 CJAAMO c1coc(CNc2ccc3c(c2)[nH+]cn3C2CCCCC2)c1 ZINC000013591253 567866752 /nfs/dbraw/zinc/86/67/52/567866752.db2.gz IOECYCMTEUGPEK-UHFFFAOYSA-N 1 1 295.386 4.747 50 0 CJAAMO Cc1cc2c(cc1C)C(Nc1cccc(F)c1)=[NH+]C(C)(C)C2 ZINC000013625697 567866757 /nfs/dbraw/zinc/86/67/57/567866757.db2.gz HHXCRTJTSQBQGF-UHFFFAOYSA-N 1 1 296.389 4.636 50 0 CJAAMO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(F)c(F)c2)c1 ZINC000015836776 570343588 /nfs/dbraw/zinc/34/35/88/570343588.db2.gz ACRPRBYAPXRTDW-GOSISDBHSA-N 1 1 287.353 4.610 50 0 CJAAMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc(C)ccc2C)c1 ZINC000015836779 570343853 /nfs/dbraw/zinc/34/38/53/570343853.db2.gz CCVAIYAOCLBKDI-FQEVSTJZSA-N 1 1 279.427 4.949 50 0 CJAAMO Cc1cccc([C@H]2CCC[N@H+]2Cc2cc(C)ccc2C)c1 ZINC000015836782 570343979 /nfs/dbraw/zinc/34/39/79/570343979.db2.gz CCVAIYAOCLBKDI-HXUWFJFHSA-N 1 1 279.427 4.949 50 0 CJAAMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(C)cc2C)c1 ZINC000015836791 570344092 /nfs/dbraw/zinc/34/40/92/570344092.db2.gz HEJSCLLGZDTCIB-FQEVSTJZSA-N 1 1 279.427 4.949 50 0 CJAAMO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(C)cc2C)c1 ZINC000015836794 570343875 /nfs/dbraw/zinc/34/38/75/570343875.db2.gz HEJSCLLGZDTCIB-HXUWFJFHSA-N 1 1 279.427 4.949 50 0 CJAAMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2F)c1 ZINC000015836802 570343766 /nfs/dbraw/zinc/34/37/66/570343766.db2.gz ITGQTHPVSXBQMO-SFHVURJKSA-N 1 1 287.353 4.610 50 0 CJAAMO Cc1cccc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2F)c1 ZINC000015836804 570343726 /nfs/dbraw/zinc/34/37/26/570343726.db2.gz ITGQTHPVSXBQMO-GOSISDBHSA-N 1 1 287.353 4.610 50 0 CJAAMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2)c1 ZINC000015836834 570344085 /nfs/dbraw/zinc/34/40/85/570344085.db2.gz FZVZIUBNALYCEL-SFHVURJKSA-N 1 1 287.353 4.610 50 0 CJAAMO Cc1cccc([C@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2)c1 ZINC000015836836 570344115 /nfs/dbraw/zinc/34/41/15/570344115.db2.gz FZVZIUBNALYCEL-GOSISDBHSA-N 1 1 287.353 4.610 50 0 CJAAMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(C)c2)cc1 ZINC000015836848 570343787 /nfs/dbraw/zinc/34/37/87/570343787.db2.gz PMWLHLBCQYRZCD-HXUWFJFHSA-N 1 1 295.426 4.731 50 0 CJAAMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2cccc(C)c2)cc1 ZINC000015836851 570343990 /nfs/dbraw/zinc/34/39/90/570343990.db2.gz PMWLHLBCQYRZCD-FQEVSTJZSA-N 1 1 295.426 4.731 50 0 CJAAMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(C)c2)cc1 ZINC000015836860 570343868 /nfs/dbraw/zinc/34/38/68/570343868.db2.gz BQSJCODPYQEWKB-LJQANCHMSA-N 1 1 265.400 4.641 50 0 CJAAMO Cc1ccc(C[N@H+]2CCC[C@H]2c2cccc(C)c2)cc1 ZINC000015836863 570343760 /nfs/dbraw/zinc/34/37/60/570343760.db2.gz BQSJCODPYQEWKB-IBGZPJMESA-N 1 1 265.400 4.641 50 0 CJAAMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c1 ZINC000015836866 570343797 /nfs/dbraw/zinc/34/37/97/570343797.db2.gz WBGHQGGNMNUUBC-SFHVURJKSA-N 1 1 285.818 4.986 50 0 CJAAMO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c1 ZINC000015836868 570343841 /nfs/dbraw/zinc/34/38/41/570343841.db2.gz WBGHQGGNMNUUBC-GOSISDBHSA-N 1 1 285.818 4.986 50 0 CJAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C)c(C)c2)cc1 ZINC000015836882 570344069 /nfs/dbraw/zinc/34/40/69/570344069.db2.gz ZZRQJBZWQHSIAC-FQEVSTJZSA-N 1 1 295.426 4.649 50 0 CJAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C)c(C)c2)cc1 ZINC000015836884 570344120 /nfs/dbraw/zinc/34/41/20/570344120.db2.gz ZZRQJBZWQHSIAC-HXUWFJFHSA-N 1 1 295.426 4.649 50 0 CJAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C)ccc2C)cc1 ZINC000015836897 570344062 /nfs/dbraw/zinc/34/40/62/570344062.db2.gz SBHZPYIMKHFHHE-FQEVSTJZSA-N 1 1 295.426 4.649 50 0 CJAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(C)ccc2C)cc1 ZINC000015836900 570343832 /nfs/dbraw/zinc/34/38/32/570343832.db2.gz SBHZPYIMKHFHHE-HXUWFJFHSA-N 1 1 295.426 4.649 50 0 CJAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C)cc2C)cc1 ZINC000015836904 570344142 /nfs/dbraw/zinc/34/41/42/570344142.db2.gz YGOXIQVVIBWJPQ-FQEVSTJZSA-N 1 1 295.426 4.649 50 0 CJAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C)cc2C)cc1 ZINC000015836907 570344128 /nfs/dbraw/zinc/34/41/28/570344128.db2.gz YGOXIQVVIBWJPQ-HXUWFJFHSA-N 1 1 295.426 4.649 50 0 CJAAMO CCc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000015837019 570343808 /nfs/dbraw/zinc/34/38/08/570343808.db2.gz IVSBBDJVEVVSBT-HXUWFJFHSA-N 1 1 295.426 4.595 50 0 CJAAMO CCc1ccc(C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000015837022 570343951 /nfs/dbraw/zinc/34/39/51/570343951.db2.gz IVSBBDJVEVVSBT-FQEVSTJZSA-N 1 1 295.426 4.595 50 0 CJAAMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cc1C ZINC000015837101 570344139 /nfs/dbraw/zinc/34/41/39/570344139.db2.gz JGCYZQRSGLBNQI-LJQANCHMSA-N 1 1 283.390 4.780 50 0 CJAAMO Cc1ccc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1C ZINC000015837105 570343777 /nfs/dbraw/zinc/34/37/77/570343777.db2.gz JGCYZQRSGLBNQI-IBGZPJMESA-N 1 1 283.390 4.780 50 0 CJAAMO Cc1ccc(C)c(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000015837119 570344435 /nfs/dbraw/zinc/34/44/35/570344435.db2.gz ONQPMYRYOHQWPO-LJQANCHMSA-N 1 1 283.390 4.780 50 0 CJAAMO Cc1ccc(C)c(C[N@H+]2CCC[C@H]2c2cccc(F)c2)c1 ZINC000015837123 570344393 /nfs/dbraw/zinc/34/43/93/570344393.db2.gz ONQPMYRYOHQWPO-IBGZPJMESA-N 1 1 283.390 4.780 50 0 CJAAMO CCc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000015837277 566921675 /nfs/dbraw/zinc/92/16/75/566921675.db2.gz KFDSFTHNSPKKKD-LJQANCHMSA-N 1 1 283.390 4.725 50 0 CJAAMO CCc1ccc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000015837280 566921097 /nfs/dbraw/zinc/92/10/97/566921097.db2.gz KFDSFTHNSPKKKD-IBGZPJMESA-N 1 1 283.390 4.725 50 0 CJAAMO Fc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c1 ZINC000015837307 566921130 /nfs/dbraw/zinc/92/11/30/566921130.db2.gz JNLMQYMRLNVTET-KRWDZBQOSA-N 1 1 289.781 4.816 50 0 CJAAMO Fc1cccc([C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c1 ZINC000015837310 566921641 /nfs/dbraw/zinc/92/16/41/566921641.db2.gz JNLMQYMRLNVTET-QGZVFWFLSA-N 1 1 289.781 4.816 50 0 CJAAMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1C ZINC000015837329 566921817 /nfs/dbraw/zinc/92/18/17/566921817.db2.gz OZFCWQONMWFVGY-LJQANCHMSA-N 1 1 283.390 4.780 50 0 CJAAMO Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1C ZINC000015837332 566921884 /nfs/dbraw/zinc/92/18/84/566921884.db2.gz OZFCWQONMWFVGY-IBGZPJMESA-N 1 1 283.390 4.780 50 0 CJAAMO Cc1ccc(C)c(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000015837348 566921794 /nfs/dbraw/zinc/92/17/94/566921794.db2.gz FZGAAQHVLVSVNF-LJQANCHMSA-N 1 1 283.390 4.780 50 0 CJAAMO Cc1ccc(C)c(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000015837351 170680035 /nfs/dbraw/zinc/68/00/35/170680035.db2.gz FZGAAQHVLVSVNF-IBGZPJMESA-N 1 1 283.390 4.780 50 0 CJAAMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000015837362 566921229 /nfs/dbraw/zinc/92/12/29/566921229.db2.gz VFOVJPHIPKEONG-LJQANCHMSA-N 1 1 283.390 4.780 50 0 CJAAMO Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000015837365 566921621 /nfs/dbraw/zinc/92/16/21/566921621.db2.gz VFOVJPHIPKEONG-IBGZPJMESA-N 1 1 283.390 4.780 50 0 CJAAMO CCc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000015837457 566921516 /nfs/dbraw/zinc/92/15/16/566921516.db2.gz OJBYKRJXRGPVNO-LJQANCHMSA-N 1 1 283.390 4.725 50 0 CJAAMO CCc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000015837460 566921665 /nfs/dbraw/zinc/92/16/65/566921665.db2.gz OJBYKRJXRGPVNO-IBGZPJMESA-N 1 1 283.390 4.725 50 0 CJAAMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000015837462 566921598 /nfs/dbraw/zinc/92/15/98/566921598.db2.gz LNELDCVZELDSMB-LJQANCHMSA-N 1 1 299.389 4.562 50 0 CJAAMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000015837465 566921343 /nfs/dbraw/zinc/92/13/43/566921343.db2.gz LNELDCVZELDSMB-IBGZPJMESA-N 1 1 299.389 4.562 50 0 CJAAMO Cc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)on2)s1 ZINC000015866863 567871426 /nfs/dbraw/zinc/87/14/26/567871426.db2.gz LBSCLALAEAWHGY-HNNXBMFYSA-N 1 1 290.432 4.505 50 0 CJAAMO Cc1ccc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)on2)s1 ZINC000015866863 567871425 /nfs/dbraw/zinc/87/14/25/567871425.db2.gz LBSCLALAEAWHGY-HNNXBMFYSA-N 1 1 290.432 4.505 50 0 CJAAMO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)on2)s1 ZINC000015866864 567871345 /nfs/dbraw/zinc/87/13/45/567871345.db2.gz LBSCLALAEAWHGY-OAHLLOKOSA-N 1 1 290.432 4.505 50 0 CJAAMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)on2)s1 ZINC000015866864 567871344 /nfs/dbraw/zinc/87/13/44/567871344.db2.gz LBSCLALAEAWHGY-OAHLLOKOSA-N 1 1 290.432 4.505 50 0 CJAAMO Cc1ccc(Nc2cc(C)c3c(O)cccc3[nH+]2)cc1C ZINC000015961108 566930972 /nfs/dbraw/zinc/93/09/72/566930972.db2.gz FJUUKTFFVSOEBC-UHFFFAOYSA-N 1 1 278.355 4.609 50 0 CJAAMO CC[C@@H](C)c1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000016247811 567908474 /nfs/dbraw/zinc/90/84/74/567908474.db2.gz GIUAIQCDPLJTKQ-IAGOWNOFSA-N 1 1 289.463 4.701 50 0 CJAAMO CC[C@H](C)c1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000016247812 567908548 /nfs/dbraw/zinc/90/85/48/567908548.db2.gz GIUAIQCDPLJTKQ-SJORKVTESA-N 1 1 289.463 4.701 50 0 CJAAMO C[C@@H]([NH2+]Cc1c(Cl)cccc1Cl)c1ccccc1 ZINC000019878726 567879493 /nfs/dbraw/zinc/87/94/93/567879493.db2.gz SLHBVJNLPFZRJQ-LLVKDONJSA-N 1 1 280.198 4.844 50 0 CJAAMO C[C@H]([NH2+]Cc1c(Cl)cccc1Cl)c1ccccc1 ZINC000019878727 567879662 /nfs/dbraw/zinc/87/96/62/567879662.db2.gz SLHBVJNLPFZRJQ-NSHDSACASA-N 1 1 280.198 4.844 50 0 CJAAMO Fc1ccccc1C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000020828546 171274994 /nfs/dbraw/zinc/27/49/94/171274994.db2.gz DZQCJXUEQXUBPI-UHFFFAOYSA-N 1 1 291.369 4.705 50 0 CJAAMO CCCOc1ccc2ccccc2c1C[NH2+]Cc1ccco1 ZINC000020930745 171280993 /nfs/dbraw/zinc/28/09/93/171280993.db2.gz RTNYXYZMRGUFKG-UHFFFAOYSA-N 1 1 295.382 4.511 50 0 CJAAMO Cc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc1C ZINC000021719727 171319958 /nfs/dbraw/zinc/31/99/58/171319958.db2.gz ZTFGSGXXMQZKMD-SFHVURJKSA-N 1 1 298.430 4.752 50 0 CJAAMO Cc1ccc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc1C ZINC000021719727 171319956 /nfs/dbraw/zinc/31/99/56/171319956.db2.gz ZTFGSGXXMQZKMD-SFHVURJKSA-N 1 1 298.430 4.752 50 0 CJAAMO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cc1C ZINC000021719729 171320074 /nfs/dbraw/zinc/32/00/74/171320074.db2.gz ZTFGSGXXMQZKMD-GOSISDBHSA-N 1 1 298.430 4.752 50 0 CJAAMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cc1C ZINC000021719729 171320072 /nfs/dbraw/zinc/32/00/72/171320072.db2.gz ZTFGSGXXMQZKMD-GOSISDBHSA-N 1 1 298.430 4.752 50 0 CJAAMO CCCc1cc([C@@H]2CCC[N@H+]2Cc2ccc(C)c(C)c2)no1 ZINC000021719731 171319981 /nfs/dbraw/zinc/31/99/81/171319981.db2.gz CZABTWOELZNFCU-IBGZPJMESA-N 1 1 298.430 4.581 50 0 CJAAMO CCCc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C)c(C)c2)no1 ZINC000021719731 171319980 /nfs/dbraw/zinc/31/99/80/171319980.db2.gz CZABTWOELZNFCU-IBGZPJMESA-N 1 1 298.430 4.581 50 0 CJAAMO CCCc1cc([C@H]2CCC[N@H+]2Cc2ccc(C)c(C)c2)no1 ZINC000021719732 171319883 /nfs/dbraw/zinc/31/98/83/171319883.db2.gz CZABTWOELZNFCU-LJQANCHMSA-N 1 1 298.430 4.581 50 0 CJAAMO CCCc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C)c(C)c2)no1 ZINC000021719732 171319881 /nfs/dbraw/zinc/31/98/81/171319881.db2.gz CZABTWOELZNFCU-LJQANCHMSA-N 1 1 298.430 4.581 50 0 CJAAMO CCCc1cc([C@@H]2CCC[N@H+]2Cc2cc(C)ccc2C)no1 ZINC000021719766 171320751 /nfs/dbraw/zinc/32/07/51/171320751.db2.gz GJGVWPXUIHNOAR-IBGZPJMESA-N 1 1 298.430 4.581 50 0 CJAAMO CCCc1cc([C@H]2CCC[N@H+]2Cc2cc(C)ccc2C)no1 ZINC000021719768 171320305 /nfs/dbraw/zinc/32/03/05/171320305.db2.gz GJGVWPXUIHNOAR-LJQANCHMSA-N 1 1 298.430 4.581 50 0 CJAAMO Cc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)on2)c(C)c1 ZINC000021719794 171320907 /nfs/dbraw/zinc/32/09/07/171320907.db2.gz BHRJHLYGVMRHPZ-SFHVURJKSA-N 1 1 298.430 4.752 50 0 CJAAMO Cc1ccc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)on2)c(C)c1 ZINC000021719794 171320905 /nfs/dbraw/zinc/32/09/05/171320905.db2.gz BHRJHLYGVMRHPZ-SFHVURJKSA-N 1 1 298.430 4.752 50 0 CJAAMO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)on2)c(C)c1 ZINC000021719796 171320313 /nfs/dbraw/zinc/32/03/13/171320313.db2.gz BHRJHLYGVMRHPZ-GOSISDBHSA-N 1 1 298.430 4.752 50 0 CJAAMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)on2)c(C)c1 ZINC000021719796 171320311 /nfs/dbraw/zinc/32/03/11/171320311.db2.gz BHRJHLYGVMRHPZ-GOSISDBHSA-N 1 1 298.430 4.752 50 0 CJAAMO CCCc1cc([C@@H]2CCC[N@H+]2Cc2ccc(C)cc2C)no1 ZINC000021719798 171320317 /nfs/dbraw/zinc/32/03/17/171320317.db2.gz ZNBYKWNLBRLYNM-IBGZPJMESA-N 1 1 298.430 4.581 50 0 CJAAMO CCCc1cc([C@H]2CCC[N@H+]2Cc2ccc(C)cc2C)no1 ZINC000021719800 171320557 /nfs/dbraw/zinc/32/05/57/171320557.db2.gz ZNBYKWNLBRLYNM-LJQANCHMSA-N 1 1 298.430 4.581 50 0 CJAAMO Cc1ccsc1C[N@@H+]1CCC[C@H]1c1cc(C(C)C)on1 ZINC000021720405 171320834 /nfs/dbraw/zinc/32/08/34/171320834.db2.gz XKHBZBHVSSVTTL-AWEZNQCLSA-N 1 1 290.432 4.505 50 0 CJAAMO Cc1ccsc1C[N@H+]1CCC[C@H]1c1cc(C(C)C)on1 ZINC000021720405 171320832 /nfs/dbraw/zinc/32/08/32/171320832.db2.gz XKHBZBHVSSVTTL-AWEZNQCLSA-N 1 1 290.432 4.505 50 0 CJAAMO Cc1ccsc1C[N@@H+]1CCC[C@@H]1c1cc(C(C)C)on1 ZINC000021720407 171320629 /nfs/dbraw/zinc/32/06/29/171320629.db2.gz XKHBZBHVSSVTTL-CQSZACIVSA-N 1 1 290.432 4.505 50 0 CJAAMO Cc1ccsc1C[N@H+]1CCC[C@@H]1c1cc(C(C)C)on1 ZINC000021720407 171320628 /nfs/dbraw/zinc/32/06/28/171320628.db2.gz XKHBZBHVSSVTTL-CQSZACIVSA-N 1 1 290.432 4.505 50 0 CJAAMO CCc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cc1 ZINC000021720472 171320986 /nfs/dbraw/zinc/32/09/86/171320986.db2.gz JBZDKOKJMOHKRR-GOSISDBHSA-N 1 1 298.430 4.698 50 0 CJAAMO CCc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cc1 ZINC000021720472 171320985 /nfs/dbraw/zinc/32/09/85/171320985.db2.gz JBZDKOKJMOHKRR-GOSISDBHSA-N 1 1 298.430 4.698 50 0 CJAAMO CCc1ccc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc1 ZINC000021720474 171320331 /nfs/dbraw/zinc/32/03/31/171320331.db2.gz JBZDKOKJMOHKRR-SFHVURJKSA-N 1 1 298.430 4.698 50 0 CJAAMO CCc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc1 ZINC000021720474 171320329 /nfs/dbraw/zinc/32/03/29/171320329.db2.gz JBZDKOKJMOHKRR-SFHVURJKSA-N 1 1 298.430 4.698 50 0 CJAAMO CCCc1cc([C@@H]2CCC[N@H+]2Cc2ccc(CC)cc2)no1 ZINC000021720476 171320529 /nfs/dbraw/zinc/32/05/29/171320529.db2.gz IPDDPKGBTPFQAM-IBGZPJMESA-N 1 1 298.430 4.527 50 0 CJAAMO CCCc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(CC)cc2)no1 ZINC000021720476 171320526 /nfs/dbraw/zinc/32/05/26/171320526.db2.gz IPDDPKGBTPFQAM-IBGZPJMESA-N 1 1 298.430 4.527 50 0 CJAAMO CCCc1cc([C@H]2CCC[N@H+]2Cc2ccc(CC)cc2)no1 ZINC000021720478 171320852 /nfs/dbraw/zinc/32/08/52/171320852.db2.gz IPDDPKGBTPFQAM-LJQANCHMSA-N 1 1 298.430 4.527 50 0 CJAAMO CCCc1cc([C@H]2CCC[N@@H+]2Cc2ccc(CC)cc2)no1 ZINC000021720478 171320850 /nfs/dbraw/zinc/32/08/50/171320850.db2.gz IPDDPKGBTPFQAM-LJQANCHMSA-N 1 1 298.430 4.527 50 0 CJAAMO C[C@@H](CC[N@H+]1CCCC[C@@H]1c1cccnc1)c1ccccc1 ZINC000022023231 256874440 /nfs/dbraw/zinc/87/44/40/256874440.db2.gz YUWXDQSNYTUSNB-FXAWDEMLSA-N 1 1 294.442 4.802 50 0 CJAAMO C[C@H](CC[N@H+]1CCCC[C@@H]1c1cccnc1)c1ccccc1 ZINC000022023232 567881200 /nfs/dbraw/zinc/88/12/00/567881200.db2.gz YUWXDQSNYTUSNB-YLJYHZDGSA-N 1 1 294.442 4.802 50 0 CJAAMO CC1CCC(Nc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000022147066 171357029 /nfs/dbraw/zinc/35/70/29/171357029.db2.gz IAFYSNRHYJTSMC-UHFFFAOYSA-N 1 1 274.795 4.879 50 0 CJAAMO CCC[N@@H+](CC1CC1)Cn1c2ccccc2sc1=S ZINC000025227770 570229832 /nfs/dbraw/zinc/22/98/32/570229832.db2.gz ZZQYYRWGSDTCOK-UHFFFAOYSA-N 1 1 292.473 4.512 50 0 CJAAMO c1csc(C[N@H+]2CCCCC[C@H]2c2cccs2)c1 ZINC000033087312 567886706 /nfs/dbraw/zinc/88/67/06/567886706.db2.gz FBNWIKFDFYIHBM-AWEZNQCLSA-N 1 1 277.458 4.927 50 0 CJAAMO c1csc(C[N@H+]2CCCCC[C@@H]2c2cccs2)c1 ZINC000033087313 567886778 /nfs/dbraw/zinc/88/67/78/567886778.db2.gz FBNWIKFDFYIHBM-CQSZACIVSA-N 1 1 277.458 4.927 50 0 CJAAMO C[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)c1ccc(F)cc1F ZINC000035043210 566842492 /nfs/dbraw/zinc/84/24/92/566842492.db2.gz VRLZUYGWPDDGJR-ZETOZRRWSA-N 1 1 291.341 4.532 50 0 CJAAMO C[C@H]([NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)c1ccc(F)cc1F ZINC000035043213 566844102 /nfs/dbraw/zinc/84/41/02/566844102.db2.gz VRLZUYGWPDDGJR-PGUXBMHVSA-N 1 1 291.341 4.532 50 0 CJAAMO C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)c1ccc(F)cc1F ZINC000035043216 566842473 /nfs/dbraw/zinc/84/24/73/566842473.db2.gz VRLZUYGWPDDGJR-JRPNMDOOSA-N 1 1 291.341 4.532 50 0 CJAAMO C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)c1ccc(F)cc1F ZINC000035043219 566843893 /nfs/dbraw/zinc/84/38/93/566843893.db2.gz VRLZUYGWPDDGJR-ZIBATOQPSA-N 1 1 291.341 4.532 50 0 CJAAMO Cc1ccsc1C[N@@H+]1CCC[C@@H]1c1cc(C(C)C)no1 ZINC000035511295 172242382 /nfs/dbraw/zinc/24/23/82/172242382.db2.gz DELSPIOKLXJXOU-CQSZACIVSA-N 1 1 290.432 4.505 50 0 CJAAMO Cc1ccsc1C[N@@H+]1CCC[C@H]1c1cc(C(C)C)no1 ZINC000035511296 172242660 /nfs/dbraw/zinc/24/26/60/172242660.db2.gz DELSPIOKLXJXOU-AWEZNQCLSA-N 1 1 290.432 4.505 50 0 CJAAMO CC[N@@H+](C)Cc1cncc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000037554040 567068242 /nfs/dbraw/zinc/06/82/42/567068242.db2.gz GOMRLSXJQWRCKW-UHFFFAOYSA-N 1 1 295.213 4.507 50 0 CJAAMO Cc1oc(-c2cccs2)nc1C[N@H+](CC(C)C)C(C)C ZINC000040072632 174186921 /nfs/dbraw/zinc/18/69/21/174186921.db2.gz FOOMBARJIWOXIB-UHFFFAOYSA-N 1 1 292.448 4.578 50 0 CJAAMO c1cc([C@H]2CCC[N@@H+]2CCCc2ccccc2)cs1 ZINC000040153558 174194758 /nfs/dbraw/zinc/19/47/58/174194758.db2.gz ZEWPAAOQSCYQND-QGZVFWFLSA-N 1 1 271.429 4.518 50 0 CJAAMO c1cc([C@@H]2CCC[N@@H+]2CCCc2ccccc2)cs1 ZINC000040153559 174194490 /nfs/dbraw/zinc/19/44/90/174194490.db2.gz ZEWPAAOQSCYQND-KRWDZBQOSA-N 1 1 271.429 4.518 50 0 CJAAMO CC(C)Oc1ccc2ccccc2c1C[NH2+]Cc1ccco1 ZINC000040729685 174388270 /nfs/dbraw/zinc/38/82/70/174388270.db2.gz QMAMAGKRRXNJBL-UHFFFAOYSA-N 1 1 295.382 4.510 50 0 CJAAMO Clc1ccc(C[N@H+]2CCC[C@@H]2c2ccsc2)s1 ZINC000048273313 570296964 /nfs/dbraw/zinc/29/69/64/570296964.db2.gz DDVXBUDZEAOLMQ-GFCCVEGCSA-N 1 1 283.849 4.800 50 0 CJAAMO Clc1ccc(C[N@@H+]2CCC[C@@H]2c2ccsc2)s1 ZINC000048273313 570296961 /nfs/dbraw/zinc/29/69/61/570296961.db2.gz DDVXBUDZEAOLMQ-GFCCVEGCSA-N 1 1 283.849 4.800 50 0 CJAAMO Clc1ccc(C[N@H+]2CCC[C@H]2c2ccsc2)s1 ZINC000048273316 570296834 /nfs/dbraw/zinc/29/68/34/570296834.db2.gz DDVXBUDZEAOLMQ-LBPRGKRZSA-N 1 1 283.849 4.800 50 0 CJAAMO Clc1ccc(C[N@@H+]2CCC[C@H]2c2ccsc2)s1 ZINC000048273316 570296831 /nfs/dbraw/zinc/29/68/31/570296831.db2.gz DDVXBUDZEAOLMQ-LBPRGKRZSA-N 1 1 283.849 4.800 50 0 CJAAMO Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000048278023 570296982 /nfs/dbraw/zinc/29/69/82/570296982.db2.gz CRQSNHDSINVPOD-INIZCTEOSA-N 1 1 298.430 4.618 50 0 CJAAMO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000048278023 570296979 /nfs/dbraw/zinc/29/69/79/570296979.db2.gz CRQSNHDSINVPOD-INIZCTEOSA-N 1 1 298.430 4.618 50 0 CJAAMO Cc1ccccc1[C@H]1CCC[N@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000048278026 570296886 /nfs/dbraw/zinc/29/68/86/570296886.db2.gz CRQSNHDSINVPOD-MRXNPFEDSA-N 1 1 298.430 4.618 50 0 CJAAMO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000048278026 570296885 /nfs/dbraw/zinc/29/68/85/570296885.db2.gz CRQSNHDSINVPOD-MRXNPFEDSA-N 1 1 298.430 4.618 50 0 CJAAMO C[NH+](C)/C=C1/CCCc2c(=S)cc(-c3ccccc3)oc21 ZINC000055129452 570392598 /nfs/dbraw/zinc/39/25/98/570392598.db2.gz WFAWAHDWCKNWDO-OWBHPGMISA-N 1 1 297.423 4.915 50 0 CJAAMO C[NH+](C)/C=C1\CCCc2c(=S)cc(-c3ccccc3)oc21 ZINC000057478245 567158250 /nfs/dbraw/zinc/15/82/50/567158250.db2.gz WFAWAHDWCKNWDO-WYMLVPIESA-N 1 1 297.423 4.915 50 0 CJAAMO c1ccc([C@@H]2CCC[N@@H+]2Cc2nc3ccccc3s2)cc1 ZINC000057981348 567894974 /nfs/dbraw/zinc/89/49/74/567894974.db2.gz BGHWDSROEMDECK-INIZCTEOSA-N 1 1 294.423 4.633 50 0 CJAAMO c1ccc([C@H]2CCC[N@@H+]2Cc2nc3ccccc3s2)cc1 ZINC000057981354 567894917 /nfs/dbraw/zinc/89/49/17/567894917.db2.gz BGHWDSROEMDECK-MRXNPFEDSA-N 1 1 294.423 4.633 50 0 CJAAMO CC(C)c1ccc(C[N@@H+](C/C=C/Cl)C2CC2)cc1 ZINC000058470061 567895792 /nfs/dbraw/zinc/89/57/92/567895792.db2.gz HQJJLIRQWBNWBE-XCVCLJGOSA-N 1 1 263.812 4.527 50 0 CJAAMO C(=C/c1ccccc1)\C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000058581699 567895783 /nfs/dbraw/zinc/89/57/83/567895783.db2.gz XAHNDOVCAUKUOA-AUNFYEFLSA-N 1 1 269.413 4.598 50 0 CJAAMO C[N@@H+](Cn1c2ccccc2sc1=S)C1CCCCC1 ZINC000058583871 570400109 /nfs/dbraw/zinc/40/01/09/570400109.db2.gz VYEXMEFIROBGRM-UHFFFAOYSA-N 1 1 292.473 4.654 50 0 CJAAMO CC[N@@H+](Cc1nc2ccccc2s1)Cc1ccccc1C ZINC000058790197 566845706 /nfs/dbraw/zinc/84/57/06/566845706.db2.gz WLMZFRDRAJYDOJ-UHFFFAOYSA-N 1 1 296.439 4.627 50 0 CJAAMO CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000059403265 567896318 /nfs/dbraw/zinc/89/63/18/567896318.db2.gz OBASZRNAXGXBFF-CYBMUJFWSA-N 1 1 288.822 4.510 50 0 CJAAMO CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000059403266 567896246 /nfs/dbraw/zinc/89/62/46/567896246.db2.gz OBASZRNAXGXBFF-ZDUSSCGKSA-N 1 1 288.822 4.510 50 0 CJAAMO FC(F)(F)c1ccccc1C[N@@H+](C1CC1)C1CCCC1 ZINC000060562842 567902097 /nfs/dbraw/zinc/90/20/97/567902097.db2.gz MNXQBFKCDRKNPI-UHFFFAOYSA-N 1 1 283.337 4.612 50 0 CJAAMO Cc1ccc(C[NH2+]Cc2ccccc2Oc2ccccc2)o1 ZINC000063319290 570326259 /nfs/dbraw/zinc/32/62/59/570326259.db2.gz GQSPTGYIQSDHKG-UHFFFAOYSA-N 1 1 293.366 4.670 50 0 CJAAMO Cc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)no2)c(C)c1 ZINC000064984433 570243629 /nfs/dbraw/zinc/24/36/29/570243629.db2.gz OWFUSBPFQKMIHR-SFHVURJKSA-N 1 1 298.430 4.752 50 0 CJAAMO CCc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000064984495 570243617 /nfs/dbraw/zinc/24/36/17/570243617.db2.gz AFFYDMZOBZEFTB-GOSISDBHSA-N 1 1 298.430 4.698 50 0 CJAAMO CCc1ccc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000064984497 570243706 /nfs/dbraw/zinc/24/37/06/570243706.db2.gz AFFYDMZOBZEFTB-SFHVURJKSA-N 1 1 298.430 4.698 50 0 CJAAMO CCC[N@H+](Cc1c(Cl)ccc2cccnc21)CC1CC1 ZINC000065431157 567007552 /nfs/dbraw/zinc/00/75/52/567007552.db2.gz RRMVAFQVQHDMMS-UHFFFAOYSA-N 1 1 288.822 4.510 50 0 CJAAMO C(=C/c1ccccc1)\C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000065609297 570362517 /nfs/dbraw/zinc/36/25/17/570362517.db2.gz XAHNDOVCAUKUOA-IOMDMTNGSA-N 1 1 269.413 4.598 50 0 CJAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1cccc2ccccc21 ZINC000071771283 176262371 /nfs/dbraw/zinc/26/23/71/176262371.db2.gz GTGYTXLFDPHOCE-IYBDPMFKSA-N 1 1 282.431 4.515 50 0 CJAAMO CC(C)C[N@H+]1CC[C@H](C(c2ccccc2)c2ccccc2)C1 ZINC000071772293 567902078 /nfs/dbraw/zinc/90/20/78/567902078.db2.gz YYUHTHCEPRXXST-FQEVSTJZSA-N 1 1 293.454 4.796 50 0 CJAAMO CC(C)C[N@H+]1CC[C@@H](C(c2ccccc2)c2ccccc2)C1 ZINC000071772295 567902012 /nfs/dbraw/zinc/90/20/12/567902012.db2.gz YYUHTHCEPRXXST-HXUWFJFHSA-N 1 1 293.454 4.796 50 0 CJAAMO C(=C/c1ccccc1)\C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000071811001 176267967 /nfs/dbraw/zinc/26/79/67/176267967.db2.gz UDZDPAGPNXRWKF-UXBLZVDNSA-N 1 1 281.399 4.738 50 0 CJAAMO CSc1cccc(C[N@H+]2CCCC[C@@H]2c2ccccn2)c1 ZINC000072143747 176324502 /nfs/dbraw/zinc/32/45/02/176324502.db2.gz IKTARJPZZSRYSF-GOSISDBHSA-N 1 1 298.455 4.531 50 0 CJAAMO CSc1cccc(C[N@H+]2CCCC[C@H]2c2ccccn2)c1 ZINC000072143749 176323958 /nfs/dbraw/zinc/32/39/58/176323958.db2.gz IKTARJPZZSRYSF-SFHVURJKSA-N 1 1 298.455 4.531 50 0 CJAAMO c1ccc(CCCC2=CC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000072194242 176337196 /nfs/dbraw/zinc/33/71/96/176337196.db2.gz RJKHELOCNIIEFU-UHFFFAOYSA-N 1 1 291.438 4.842 50 0 CJAAMO Cc1nc(C)c(C[N@H+](C)[C@@H](C)c2ccc(Cl)cc2)s1 ZINC000072296393 176363347 /nfs/dbraw/zinc/36/33/47/176363347.db2.gz UVCHGZKHEUFNIQ-NSHDSACASA-N 1 1 294.851 4.606 50 0 CJAAMO Cc1nc(C)c(C[N@H+](C)[C@H](C)c2ccc(Cl)cc2)s1 ZINC000072296394 176363488 /nfs/dbraw/zinc/36/34/88/176363488.db2.gz UVCHGZKHEUFNIQ-LLVKDONJSA-N 1 1 294.851 4.606 50 0 CJAAMO C[C@H]([N@@H+](C)Cc1c(Cl)ccc2cccnc21)C1(C)CC1 ZINC000075108163 566935005 /nfs/dbraw/zinc/93/50/05/566935005.db2.gz ADSLRPCRANMQKG-LBPRGKRZSA-N 1 1 288.822 4.509 50 0 CJAAMO C[C@@H]([N@@H+](C)Cc1c(Cl)ccc2cccnc21)C1(C)CC1 ZINC000075108165 566935399 /nfs/dbraw/zinc/93/53/99/566935399.db2.gz ADSLRPCRANMQKG-GFCCVEGCSA-N 1 1 288.822 4.509 50 0 CJAAMO c1cc2[nH+]ccc(N3CCC(c4ccccc4)CC3)c2s1 ZINC000078904384 136509292 /nfs/dbraw/zinc/50/92/92/136509292.db2.gz HCYBJHMMMYQPHQ-UHFFFAOYSA-N 1 1 294.423 4.680 50 0 CJAAMO CCCC[N@@H+](C)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000079059109 570395960 /nfs/dbraw/zinc/39/59/60/570395960.db2.gz TVJJWUCZLLWLCB-UHFFFAOYSA-N 1 1 292.810 4.535 50 0 CJAAMO Fc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(Cl)s2)c1 ZINC000084372343 566881661 /nfs/dbraw/zinc/88/16/61/566881661.db2.gz BXDXBEBCNXAXIG-AWEZNQCLSA-N 1 1 295.810 4.878 50 0 CJAAMO Fc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(Cl)s2)c1 ZINC000084372343 566881657 /nfs/dbraw/zinc/88/16/57/566881657.db2.gz BXDXBEBCNXAXIG-AWEZNQCLSA-N 1 1 295.810 4.878 50 0 CJAAMO Fc1cccc([C@H]2CCC[N@H+]2Cc2ccc(Cl)s2)c1 ZINC000084372345 566882455 /nfs/dbraw/zinc/88/24/55/566882455.db2.gz BXDXBEBCNXAXIG-CQSZACIVSA-N 1 1 295.810 4.878 50 0 CJAAMO Fc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(Cl)s2)c1 ZINC000084372345 566882450 /nfs/dbraw/zinc/88/24/50/566882450.db2.gz BXDXBEBCNXAXIG-CQSZACIVSA-N 1 1 295.810 4.878 50 0 CJAAMO CC[N@@H+](Cc1sc2ccccc2c1Cl)C1CC1 ZINC000084774819 566887502 /nfs/dbraw/zinc/88/75/02/566887502.db2.gz MURDGSDUBDRQBI-UHFFFAOYSA-N 1 1 265.809 4.539 50 0 CJAAMO C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000089904766 567029521 /nfs/dbraw/zinc/02/95/21/567029521.db2.gz RXPFNWTWPPOPQS-JTQLQIEISA-N 1 1 289.728 4.595 50 0 CJAAMO C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000089904766 567029511 /nfs/dbraw/zinc/02/95/11/567029511.db2.gz RXPFNWTWPPOPQS-JTQLQIEISA-N 1 1 289.728 4.595 50 0 CJAAMO C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000089904767 567030116 /nfs/dbraw/zinc/03/01/16/567030116.db2.gz RXPFNWTWPPOPQS-SNVBAGLBSA-N 1 1 289.728 4.595 50 0 CJAAMO C[C@H](c1ccc(Cl)cc1)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000089904767 567030110 /nfs/dbraw/zinc/03/01/10/567030110.db2.gz RXPFNWTWPPOPQS-SNVBAGLBSA-N 1 1 289.728 4.595 50 0 CJAAMO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ncoc2C(C)C)s1 ZINC000092797052 566970869 /nfs/dbraw/zinc/97/08/69/566970869.db2.gz CFSYFPCABKXPSL-AWEZNQCLSA-N 1 1 290.432 4.505 50 0 CJAAMO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ncoc2C(C)C)s1 ZINC000092797053 566971830 /nfs/dbraw/zinc/97/18/30/566971830.db2.gz CFSYFPCABKXPSL-CQSZACIVSA-N 1 1 290.432 4.505 50 0 CJAAMO C[C@@H]1C[N@@H+](C2CCCCCCCCCCC2)C[C@H](C)O1 ZINC000095944423 185037159 /nfs/dbraw/zinc/03/71/59/185037159.db2.gz JMXKCYUTURMERF-CALCHBBNSA-N 1 1 281.484 4.769 50 0 in-vitro CJAAMO C[N@@H+](Cc1nc2ccccc2s1)C1CCCCCCC1 ZINC000095988589 567136470 /nfs/dbraw/zinc/13/64/70/567136470.db2.gz ATBKKJSELPGSTJ-UHFFFAOYSA-N 1 1 288.460 4.841 50 0 CJAAMO c1ccc([C@@H]2CC[N@H+]([C@@H]3CCCc4ccccc43)C2)cc1 ZINC000096001691 185062398 /nfs/dbraw/zinc/06/23/98/185062398.db2.gz BPVNAUFRHXKHOH-UYAOXDASSA-N 1 1 277.411 4.554 50 0 CJAAMO c1ccc([C@H]2CC[N@H+]([C@@H]3CCCc4ccccc43)C2)cc1 ZINC000096001692 185061779 /nfs/dbraw/zinc/06/17/79/185061779.db2.gz BPVNAUFRHXKHOH-AZUAARDMSA-N 1 1 277.411 4.554 50 0 CJAAMO CC[N@H+]1CC[C@H](c2ccccc2)[C@H](c2cccc(C)c2)C1 ZINC000096027626 567138875 /nfs/dbraw/zinc/13/88/75/567138875.db2.gz QYTDPEDVPXCAKK-UXHICEINSA-N 1 1 279.427 4.588 50 0 CJAAMO CC[N@H+]1CC[C@@H](c2ccccc2)[C@H](c2cccc(C)c2)C1 ZINC000096027627 567138761 /nfs/dbraw/zinc/13/87/61/567138761.db2.gz QYTDPEDVPXCAKK-PMACEKPBSA-N 1 1 279.427 4.588 50 0 CJAAMO C(=C\c1ccccc1)\C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000096166212 567138476 /nfs/dbraw/zinc/13/84/76/567138476.db2.gz XAHNDOVCAUKUOA-RLXIPRIJSA-N 1 1 269.413 4.598 50 0 CJAAMO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2cc3ccccc3o2)s1 ZINC000097017256 534621734 /nfs/dbraw/zinc/62/17/34/534621734.db2.gz FPQBLUQSIKHQES-NWDGAFQWSA-N 1 1 286.400 4.610 50 0 CJAAMO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2cc3ccccc3o2)s1 ZINC000097017257 534657926 /nfs/dbraw/zinc/65/79/26/534657926.db2.gz FPQBLUQSIKHQES-RYUDHWBXSA-N 1 1 286.400 4.610 50 0 CJAAMO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)s1 ZINC000097017259 534622411 /nfs/dbraw/zinc/62/24/11/534622411.db2.gz FPQBLUQSIKHQES-VXGBXAGGSA-N 1 1 286.400 4.610 50 0 CJAAMO Cc1cnc([C@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)s1 ZINC000097017260 534658642 /nfs/dbraw/zinc/65/86/42/534658642.db2.gz FPQBLUQSIKHQES-NEPJUHHUSA-N 1 1 286.400 4.610 50 0 CJAAMO C(=C\c1ccccc1)\C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000097173662 567144389 /nfs/dbraw/zinc/14/43/89/567144389.db2.gz UDZDPAGPNXRWKF-POHAHGRESA-N 1 1 281.399 4.738 50 0 CJAAMO C/C=C1\[N@@H+](C)[C@@H](C)CC1(c1ccccc1)c1ccccc1 ZINC000100053171 567217937 /nfs/dbraw/zinc/21/79/37/567217937.db2.gz AJRJPORIQGYFMT-ZNSKVXGRSA-N 1 1 277.411 4.601 50 0 endogenous,world CJAAMO C(=C\c1ccccc1)\C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000101138743 567940799 /nfs/dbraw/zinc/94/07/99/567940799.db2.gz XAHNDOVCAUKUOA-LYLYKKCESA-N 1 1 269.413 4.598 50 0 CJAAMO C[C@@H](c1ccccc1)[N@@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000108356823 330353482 /nfs/dbraw/zinc/35/34/82/330353482.db2.gz TXAFLCNCHRNEOT-ZDUSSCGKSA-N 1 1 298.411 4.596 50 0 CJAAMO C[C@@H](c1ccccc1)[N@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000108356823 330353481 /nfs/dbraw/zinc/35/34/81/330353481.db2.gz TXAFLCNCHRNEOT-ZDUSSCGKSA-N 1 1 298.411 4.596 50 0 CJAAMO C[C@H](c1ccccc1)[N@@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000108356827 330353474 /nfs/dbraw/zinc/35/34/74/330353474.db2.gz TXAFLCNCHRNEOT-CYBMUJFWSA-N 1 1 298.411 4.596 50 0 CJAAMO C[C@H](c1ccccc1)[N@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000108356827 330353473 /nfs/dbraw/zinc/35/34/73/330353473.db2.gz TXAFLCNCHRNEOT-CYBMUJFWSA-N 1 1 298.411 4.596 50 0 CJAAMO Cc1nc(C[NH2+][C@@H](C)c2cc3ccccc3s2)cs1 ZINC000169186180 534389556 /nfs/dbraw/zinc/38/95/56/534389556.db2.gz OQYXCUKFNIJUKQ-JTQLQIEISA-N 1 1 288.441 4.517 50 0 CJAAMO Cc1nc(C[NH2+][C@H](C)c2cc3ccccc3s2)cs1 ZINC000169186263 534392601 /nfs/dbraw/zinc/39/26/01/534392601.db2.gz OQYXCUKFNIJUKQ-SNVBAGLBSA-N 1 1 288.441 4.517 50 0 CJAAMO CC(C)c1ccc(C[N@@H+](C/C=C\Cl)C2CC2)cc1 ZINC000206391012 567931565 /nfs/dbraw/zinc/93/15/65/567931565.db2.gz HQJJLIRQWBNWBE-KMKOMSMNSA-N 1 1 263.812 4.527 50 0 CJAAMO CC[N@H+]1CC[C@@H](c2ccccc2)[C@@H](c2cccc(C)c2)C1 ZINC000216005270 567152987 /nfs/dbraw/zinc/15/29/87/567152987.db2.gz QYTDPEDVPXCAKK-VQTJNVASSA-N 1 1 279.427 4.588 50 0 CJAAMO CC[N@H+]1CC[C@H](c2ccccc2)[C@@H](c2cccc(C)c2)C1 ZINC000216005320 570304747 /nfs/dbraw/zinc/30/47/47/570304747.db2.gz QYTDPEDVPXCAKK-WOJBJXKFSA-N 1 1 279.427 4.588 50 0 CJAAMO FC1(F)CCC[C@H](C[N@H+]2CCC[C@@H]2c2cccs2)C1 ZINC000225769536 230399696 /nfs/dbraw/zinc/39/96/96/230399696.db2.gz RYWSXYRQEOLIOV-QWHCGFSZSA-N 1 1 285.403 4.711 50 0 CJAAMO FC1(F)CCC[C@@H](C[N@H+]2CCC[C@@H]2c2cccs2)C1 ZINC000225769554 230399699 /nfs/dbraw/zinc/39/96/99/230399699.db2.gz RYWSXYRQEOLIOV-CHWSQXEVSA-N 1 1 285.403 4.711 50 0 CJAAMO c1ccc([C@H]2CC[N@H+]([C@H]3CCCc4ccccc43)C2)cc1 ZINC000239667413 570355177 /nfs/dbraw/zinc/35/51/77/570355177.db2.gz BPVNAUFRHXKHOH-ICSRJNTNSA-N 1 1 277.411 4.554 50 0 CJAAMO c1ccc([C@@H]2CC[N@H+]([C@H]3CCCc4ccccc43)C2)cc1 ZINC000239667414 570355182 /nfs/dbraw/zinc/35/51/82/570355182.db2.gz BPVNAUFRHXKHOH-QUCCMNQESA-N 1 1 277.411 4.554 50 0 CJAAMO C[C@@H](CC[N@H+]1CCCC[C@H]1c1cccnc1)c1ccccc1 ZINC000244893066 566969189 /nfs/dbraw/zinc/96/91/89/566969189.db2.gz YUWXDQSNYTUSNB-PXNSSMCTSA-N 1 1 294.442 4.802 50 0 CJAAMO C[C@H](CC[N@H+]1CCCC[C@H]1c1cccnc1)c1ccccc1 ZINC000244893067 566968890 /nfs/dbraw/zinc/96/88/90/566968890.db2.gz YUWXDQSNYTUSNB-XLIONFOSSA-N 1 1 294.442 4.802 50 0 CJAAMO FC1(F)CCC[C@@H](C[N@H+]2CCC[C@H]2c2cccs2)C1 ZINC000252549999 570375513 /nfs/dbraw/zinc/37/55/13/570375513.db2.gz RYWSXYRQEOLIOV-OLZOCXBDSA-N 1 1 285.403 4.711 50 0 CJAAMO FC1(F)CCC[C@H](C[N@H+]2CCC[C@H]2c2cccs2)C1 ZINC000252550000 567930091 /nfs/dbraw/zinc/93/00/91/567930091.db2.gz RYWSXYRQEOLIOV-STQMWFEESA-N 1 1 285.403 4.711 50 0 CJAAMO CC1=CC=C/C(=C/C=C2/C=Nc3ccc(Cl)cc32)[N@H+]1C ZINC000334157076 206121056 /nfs/dbraw/zinc/12/10/56/206121056.db2.gz WUKYZKFHDVNANW-CNZBEHSASA-N 1 1 282.774 4.729 50 0 CJAAMO CC1=CC=C/C(=C/C=C2/C=Nc3ccc(Cl)cc32)[N@@H+]1C ZINC000334157076 206121053 /nfs/dbraw/zinc/12/10/53/206121053.db2.gz WUKYZKFHDVNANW-CNZBEHSASA-N 1 1 282.774 4.729 50 0 CJAAMO CC1=Nc2ccc(F)cc2/C1=C/C=C1/C=CC=C(C)[N@@H+]1C ZINC000334157106 206120461 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