smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1onc(C)c1[C@@H]1CCC[N@H+]1Cc1ccccc1O ZINC000021720988 171320932 /nfs/dbraw/zinc/32/09/32/171320932.db2.gz WTFLUHNTCCWXLI-AWEZNQCLSA-N 1 1 286.375 3.588 50 10 CHCAMO CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1O ZINC000170597316 567012284 /nfs/dbraw/zinc/01/22/84/567012284.db2.gz GLSZGTUMHCQLLL-QGZVFWFLSA-N 1 1 267.372 3.729 50 10 CHCAMO C[C@@H]1C[C@H](C)C[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000004007787 1120289489 /nfs/dbraw/zinc/28/94/89/1120289489.db2.gz KINJPXKQTQOCHR-AXHPFZFWSA-N 1 1 272.436 3.744 50 10 CHCAMO CN(C)c1ccc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000004980847 170048724 /nfs/dbraw/zinc/04/87/24/170048724.db2.gz VEDDXXVOTCVJGB-AEFFLSMTSA-N 1 1 272.436 3.907 50 10 CHCAMO CC[N@@H+](Cc1ccncc1)Cc1c(O)ccc2ccccc21 ZINC000006318709 170191140 /nfs/dbraw/zinc/19/11/40/170191140.db2.gz WVELZHAEBOZGQP-UHFFFAOYSA-N 1 1 292.382 3.963 50 10 CHCAMO C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c2cccnc2c1O ZINC000021486902 171304636 /nfs/dbraw/zinc/30/46/36/171304636.db2.gz JYYGLOIYBKYPCE-LLVKDONJSA-N 1 1 290.794 3.968 50 10 CHCAMO C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c2cccnc2c1O ZINC000021486902 171304637 /nfs/dbraw/zinc/30/46/37/171304637.db2.gz JYYGLOIYBKYPCE-LLVKDONJSA-N 1 1 290.794 3.968 50 10 CHCAMO CC(C)c1cc([C@H]2CCC[N@H+]2Cc2ccccc2O)on1 ZINC000035511314 172242359 /nfs/dbraw/zinc/24/23/59/172242359.db2.gz RZVQAMYAVOXNFS-OAHLLOKOSA-N 1 1 286.375 3.841 50 10 CHCAMO CCCn1c[nH+]c2cc(NCc3ccccc3O)ccc21 ZINC000002338914 567845699 /nfs/dbraw/zinc/84/56/99/567845699.db2.gz VJTPPRHRQNZYAU-UHFFFAOYSA-N 1 1 281.359 3.764 50 10 CHCAMO Cc1ccc(O)c(C[N@H+](C)[C@@H](C)c2cccs2)c1 ZINC000065405157 567899050 /nfs/dbraw/zinc/89/90/50/567899050.db2.gz ULPURDABWIVJED-LBPRGKRZSA-N 1 1 261.390 3.955 50 10 CHCAMO Oc1ccccc1C[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000022023316 1118173813 /nfs/dbraw/zinc/17/38/13/1118173813.db2.gz QKGCWXDVBXIISA-MRXNPFEDSA-N 1 1 268.360 3.514 50 10 CHCAMO Cn1c[nH+]c2cc(NCc3ccccc3Cl)ccc21 ZINC000000423343 567829997 /nfs/dbraw/zinc/82/99/97/567829997.db2.gz YFLMIYFRWQYMIG-UHFFFAOYSA-N 1 1 271.751 3.839 50 10 CHCAMO COc1cccc(C[N@H+]2CCCC[C@@H]2c2cccnc2)c1O ZINC000022023195 567881308 /nfs/dbraw/zinc/88/13/08/567881308.db2.gz FXIRDCQKVPVYIE-MRXNPFEDSA-N 1 1 298.386 3.523 50 10 CHCAMO COc1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2)c(O)c1 ZINC000022023297 1118173912 /nfs/dbraw/zinc/17/39/12/1118173912.db2.gz HMBGMIYYOICRLN-KRWDZBQOSA-N 1 1 298.386 3.523 50 10 CHCAMO C[N@@H+](Cc1ccc(F)cc1)Cc1c(O)ccc2ccncc21 ZINC000032888168 1121024943 /nfs/dbraw/zinc/02/49/43/1121024943.db2.gz RDLXDVYYKJGRBH-UHFFFAOYSA-N 1 1 296.345 3.712 50 10 CHCAMO Oc1c(C[NH+]2CCCCC2)cc(Cl)c2cccnc12 ZINC000019345335 567121244 /nfs/dbraw/zinc/12/12/44/567121244.db2.gz IEKUNQQLSAJNIG-UHFFFAOYSA-N 1 1 276.767 3.580 50 10 CHCAMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000584904352 567859912 /nfs/dbraw/zinc/85/99/12/567859912.db2.gz HYUKIKGTXIQLNB-LJQANCHMSA-N 1 1 295.430 3.875 50 10 CHCAMO CC[C@H]1CCCC[N@@H+]1Cc1cc(-c2ncccn2)ccc1O ZINC000012129644 567862210 /nfs/dbraw/zinc/86/22/10/567862210.db2.gz PHKWUANYTGHSCK-INIZCTEOSA-N 1 1 297.402 3.614 50 10 CHCAMO CC[C@H]1CCCC[N@H+]1Cc1cc(-c2ncccn2)ccc1O ZINC000012129644 567862211 /nfs/dbraw/zinc/86/22/11/567862211.db2.gz PHKWUANYTGHSCK-INIZCTEOSA-N 1 1 297.402 3.614 50 10 CHCAMO C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000019634971 567877930 /nfs/dbraw/zinc/87/79/30/567877930.db2.gz RISPVDIVGKGSIN-VIFPVBQESA-N 1 1 274.191 3.931 50 10 CHCAMO Cc1cc(O)c(C[N@H+]2CC[C@@H]2c2ccccc2)cc1C ZINC000054493199 570374269 /nfs/dbraw/zinc/37/42/69/570374269.db2.gz SDLZPWGAOUGSML-QGZVFWFLSA-N 1 1 267.372 3.956 50 10 CHCAMO Cc1cc(C)c(O)c(C[N@H+]2CCc3ccccc3C2)c1 ZINC000089568884 566984956 /nfs/dbraw/zinc/98/49/56/566984956.db2.gz YJQYGCCKUBWIOH-UHFFFAOYSA-N 1 1 267.372 3.567 50 10 CHCAMO C[N@H+](Cc1cccc2cnccc21)Cc1cc(F)ccc1O ZINC000067774490 567900813 /nfs/dbraw/zinc/90/08/13/567900813.db2.gz NBALVBXFPXYAED-UHFFFAOYSA-N 1 1 296.345 3.712 50 10 CHCAMO C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c2cccnc2c1O ZINC000021486903 171304444 /nfs/dbraw/zinc/30/44/44/171304444.db2.gz JYYGLOIYBKYPCE-NSHDSACASA-N 1 1 290.794 3.968 50 10 CHCAMO C[C@H]1CCCC[N@H+]1Cc1cc(Cl)c2cccnc2c1O ZINC000021486903 171304445 /nfs/dbraw/zinc/30/44/45/171304445.db2.gz JYYGLOIYBKYPCE-NSHDSACASA-N 1 1 290.794 3.968 50 10 CHCAMO Cc1cc([C@H]2CCC[N@H+]2Cc2cc(Cl)ccc2O)on1 ZINC000035511228 172242171 /nfs/dbraw/zinc/24/21/71/172242171.db2.gz SMZXJQKUWOGQKP-CYBMUJFWSA-N 1 1 292.766 3.679 50 10 CHCAMO C[C@@H]1CCCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000000278755 567823780 /nfs/dbraw/zinc/82/37/80/567823780.db2.gz ATMYDQFRTXWKCF-CYBMUJFWSA-N 1 1 255.361 3.920 50 10 CHCAMO CCC[N@H+]1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3 ZINC000001735106 567842901 /nfs/dbraw/zinc/84/29/01/567842901.db2.gz BTGAJCKRXPNBFI-HNNXBMFYSA-N 1 1 295.382 3.630 50 10 in-vitro CHCAMO CCc1ccc(CNc2ccc3c(c2)[nH+]cn3C)cc1 ZINC000000423335 567930535 /nfs/dbraw/zinc/93/05/35/567930535.db2.gz PUUCZUBNYUXKOS-UHFFFAOYSA-N 1 1 265.360 3.748 50 10 CHCAMO Oc1ccccc1C[N@@H+](CCc1ccncc1)C1CCCC1 ZINC000095395084 567128863 /nfs/dbraw/zinc/12/88/63/567128863.db2.gz HJOAKECDULACAF-UHFFFAOYSA-N 1 1 296.414 3.775 50 10 CHCAMO CCn1c[nH+]c2cc(NCc3ccc(C)cc3)ccc21 ZINC000000423328 567829880 /nfs/dbraw/zinc/82/98/80/567829880.db2.gz BDERVVNCEPLYEG-UHFFFAOYSA-N 1 1 265.360 3.977 50 10 CHCAMO Cc1ccc(O)c(C[N@H+](C)[C@H](C)c2cccs2)c1 ZINC000065405159 567898998 /nfs/dbraw/zinc/89/89/98/567898998.db2.gz ULPURDABWIVJED-GFCCVEGCSA-N 1 1 261.390 3.955 50 10 CHCAMO Oc1ccccc1C[N@H+](Cc1cc[nH]c1)Cc1ccco1 ZINC000095430309 567134855 /nfs/dbraw/zinc/13/48/55/567134855.db2.gz LMVSPUJKZSIMQR-UHFFFAOYSA-N 1 1 282.343 3.516 50 10 CHCAMO CCN(CC)c1ccc(C[N@H+]2CCCSCC2)cc1F ZINC000095468622 567136601 /nfs/dbraw/zinc/13/66/01/567136601.db2.gz WMLBOQWFUJPNAH-UHFFFAOYSA-N 1 1 296.455 3.611 50 10 CHCAMO C[C@@H](Nc1ccc2c(c1)C[N@H+](C)C2)c1cc(F)ccc1O ZINC000095939161 185035178 /nfs/dbraw/zinc/03/51/78/185035178.db2.gz DFGHBSOYBDBDAT-LLVKDONJSA-N 1 1 286.350 3.650 50 10 CHCAMO CCc1onc(C)c1[C@H]1CCC[N@H+]1Cc1ccccc1O ZINC000021720990 171320896 /nfs/dbraw/zinc/32/08/96/171320896.db2.gz WTFLUHNTCCWXLI-CQSZACIVSA-N 1 1 286.375 3.588 50 10 CHCAMO CC(C)n1c[nH+]c2cc(NCc3ccccc3O)ccc21 ZINC000003907426 567182386 /nfs/dbraw/zinc/18/23/86/567182386.db2.gz UWIDOBKCBREPMR-UHFFFAOYSA-N 1 1 281.359 3.935 50 10 CHCAMO Cc1cc[nH+]c(NCc2c(O)ccc3ccccc32)c1 ZINC000018107059 567876536 /nfs/dbraw/zinc/87/65/36/567876536.db2.gz BIBREOZCSNFKLF-UHFFFAOYSA-N 1 1 264.328 3.861 50 10 CHCAMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2cccnc2)c(O)c1 ZINC000022023296 1118173984 /nfs/dbraw/zinc/17/39/84/1118173984.db2.gz HMBGMIYYOICRLN-QGZVFWFLSA-N 1 1 298.386 3.523 50 10 CHCAMO CCC[N@@H+](Cc1ccccc1)Cc1ccc(N)cc1 ZINC000035364794 172154708 /nfs/dbraw/zinc/15/47/08/172154708.db2.gz KUVPIBUYOKRJFX-UHFFFAOYSA-N 1 1 254.377 3.681 50 10 CHCAMO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1cc(C)ccc1O ZINC000065384311 567898686 /nfs/dbraw/zinc/89/86/86/567898686.db2.gz DZTBDNXHJAUVIU-CQSZACIVSA-N 1 1 285.387 3.902 50 10 CHCAMO CCC[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3 ZINC000002539817 567847642 /nfs/dbraw/zinc/84/76/42/567847642.db2.gz BTGAJCKRXPNBFI-OAHLLOKOSA-N 1 1 295.382 3.630 50 10 in-vivo CHCAMO CC[C@@H]1CCCC[N@@H+]1Cc1cc(-c2ncccn2)ccc1O ZINC000012129637 567862219 /nfs/dbraw/zinc/86/22/19/567862219.db2.gz PHKWUANYTGHSCK-MRXNPFEDSA-N 1 1 297.402 3.614 50 10 CHCAMO CC[C@@H]1CCCC[N@H+]1Cc1cc(-c2ncccn2)ccc1O ZINC000012129637 567862220 /nfs/dbraw/zinc/86/22/20/567862220.db2.gz PHKWUANYTGHSCK-MRXNPFEDSA-N 1 1 297.402 3.614 50 10 CHCAMO Cc1cc([C@@H]2CCC[N@H+]2Cc2cc(Cl)ccc2O)on1 ZINC000035511227 172242116 /nfs/dbraw/zinc/24/21/16/172242116.db2.gz SMZXJQKUWOGQKP-ZDUSSCGKSA-N 1 1 292.766 3.679 50 10 CHCAMO Oc1ccc2ccncc2c1C[N@H+]1CCc2sccc2C1 ZINC000014163800 567868289 /nfs/dbraw/zinc/86/82/89/567868289.db2.gz OZFXJYLHRUNDOZ-UHFFFAOYSA-N 1 1 296.395 3.560 50 10 CHCAMO CCC[N@@H+](Cc1cc(Cl)ccc1O)CC1CC1 ZINC000000218875 567887431 /nfs/dbraw/zinc/88/74/31/567887431.db2.gz NBXOPMSVGPSIMV-UHFFFAOYSA-N 1 1 253.773 3.668 50 10 CHCAMO CCC[N@H+](Cc1cc(Cl)ccc1O)CC1CC1 ZINC000000218875 567887432 /nfs/dbraw/zinc/88/74/32/567887432.db2.gz NBXOPMSVGPSIMV-UHFFFAOYSA-N 1 1 253.773 3.668 50 10 CHCAMO Cc1ccc(O)c(C[N@H+](C)Cc2cccc3ncccc23)c1 ZINC000065375093 567898664 /nfs/dbraw/zinc/89/86/64/567898664.db2.gz DILNJGSIRUGYNC-UHFFFAOYSA-N 1 1 292.382 3.881 50 10 CHCAMO Cc1cc(O)c(C[N@H+]2CC[C@H]2c2ccccc2)cc1C ZINC000054493201 570374337 /nfs/dbraw/zinc/37/43/37/570374337.db2.gz SDLZPWGAOUGSML-KRWDZBQOSA-N 1 1 267.372 3.956 50 10 CHCAMO Cc1cc(O)c(C[N@H+](C)C(C2CC2)C2CC2)cc1C ZINC000060342655 1118443923 /nfs/dbraw/zinc/44/39/23/1118443923.db2.gz JEYFHWFWWNBNDU-UHFFFAOYSA-N 1 1 259.393 3.629 50 10 CHCAMO CC[NH+](CC)c1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC000004701848 170001273 /nfs/dbraw/zinc/00/12/73/170001273.db2.gz NCCDUMYZCJREKV-UHFFFAOYSA-N 1 1 270.376 3.753 50 10 CHCAMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000004980862 170048763 /nfs/dbraw/zinc/04/87/63/170048763.db2.gz ALQSFWFEWKNECC-OAHLLOKOSA-N 1 1 260.425 3.765 50 10 CHCAMO CN(C)c1ccc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)cc1 ZINC000229868446 570316910 /nfs/dbraw/zinc/31/69/10/570316910.db2.gz VEDDXXVOTCVJGB-SJLPKXTDSA-N 1 1 272.436 3.907 50 10 CHCAMO CCOc1cccc(C[N@@H+](CC)Cc2ccccc2)c1O ZINC000004988523 170049449 /nfs/dbraw/zinc/04/94/49/170049449.db2.gz VSZZWGXEOUVQAS-UHFFFAOYSA-N 1 1 285.387 3.813 50 10 CHCAMO CC[C@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1O ZINC000170597317 567012100 /nfs/dbraw/zinc/01/21/00/567012100.db2.gz GLSZGTUMHCQLLL-KRWDZBQOSA-N 1 1 267.372 3.729 50 10 CHCAMO CC1CC[NH+](Cc2cc(Cl)c3cccnc3c2O)CC1 ZINC000019891837 567879632 /nfs/dbraw/zinc/87/96/32/567879632.db2.gz OSUFRGXKNGENED-UHFFFAOYSA-N 1 1 290.794 3.826 50 10 CHCAMO Oc1ccccc1C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000022023317 1118173549 /nfs/dbraw/zinc/17/35/49/1118173549.db2.gz QKGCWXDVBXIISA-INIZCTEOSA-N 1 1 268.360 3.514 50 10 CHCAMO Nc1ccc([NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000057334310 567154937 /nfs/dbraw/zinc/15/49/37/567154937.db2.gz UPURCHIQBIHMMO-UHFFFAOYSA-N 1 1 266.388 3.728 50 10 CHCAMO C[C@H]1CCCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000000278754 567823619 /nfs/dbraw/zinc/82/36/19/567823619.db2.gz ATMYDQFRTXWKCF-ZDUSSCGKSA-N 1 1 255.361 3.920 50 10 CHCAMO COc1ccc(O)c(C[N@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000022023315 567881151 /nfs/dbraw/zinc/88/11/51/567881151.db2.gz FIASJTCNOGERCK-KRWDZBQOSA-N 1 1 298.386 3.523 50 10 CHCAMO CCn1c[nH+]c2cc(NCc3ccc(N(C)C)cc3)ccc21 ZINC000000423338 567930555 /nfs/dbraw/zinc/93/05/55/567930555.db2.gz GOXXBXMODVWPKM-UHFFFAOYSA-N 1 1 294.402 3.734 50 10 CHCAMO C[C@@H]1CCCC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000000214535 169577430 /nfs/dbraw/zinc/57/74/30/169577430.db2.gz RPNAZPOCCYINHZ-PMGBHYCQSA-N 1 1 258.409 3.640 50 10 CHCAMO Oc1c(C[NH+]2CCCCCC2)cc(Cl)c2cccnc12 ZINC000021486898 171304475 /nfs/dbraw/zinc/30/44/75/171304475.db2.gz PKUYAMJDZNVBBJ-UHFFFAOYSA-N 1 1 290.794 3.970 50 10 CHCAMO Cc1cc(C[NH2+]Cc2c(F)cccc2F)ccc1N(C)C ZINC000076017861 567027658 /nfs/dbraw/zinc/02/76/58/567027658.db2.gz KDUGPZZCHSRIOS-UHFFFAOYSA-N 1 1 290.357 3.629 50 10 CHCAMO CN(C)c1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC000584904351 567860005 /nfs/dbraw/zinc/86/00/05/567860005.db2.gz HYUKIKGTXIQLNB-IBGZPJMESA-N 1 1 295.430 3.875 50 10 CHCAMO Cc1ccsc1C[N@@H+](Cc1ccc(O)c(O)c1)C1CC1 ZINC000067447033 567884539 /nfs/dbraw/zinc/88/45/39/567884539.db2.gz QFYPXJMTMMCUKW-UHFFFAOYSA-N 1 1 289.400 3.632 50 10 CHCAMO CCn1c[nH+]c2cc(NCc3ccccc3OC)ccc21 ZINC000000423345 567931196 /nfs/dbraw/zinc/93/11/96/567931196.db2.gz YUUSTBZYPSXOMH-UHFFFAOYSA-N 1 1 281.359 3.677 50 10 CHCAMO CC(C)c1cc([C@@H]2CCC[N@H+]2Cc2ccccc2O)on1 ZINC000035511313 172242126 /nfs/dbraw/zinc/24/21/26/172242126.db2.gz RZVQAMYAVOXNFS-HNNXBMFYSA-N 1 1 286.375 3.841 50 10 CHCAMO CCOc1ccc(CNc2ccc3c(c2)[nH+]cn3C)cc1 ZINC000000237899 567822905 /nfs/dbraw/zinc/82/29/05/567822905.db2.gz IFJIDNKDMZHYLE-UHFFFAOYSA-N 1 1 281.359 3.584 50 10 CHCAMO Oc1cc2c(cc1C[N@H+]1CCc3sccc3C1)CCC2 ZINC000032888335 567870125 /nfs/dbraw/zinc/87/01/25/567870125.db2.gz ZZCDVWDIXOTDKP-UHFFFAOYSA-N 1 1 285.412 3.501 50 10 CHCAMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000004980850 170048647 /nfs/dbraw/zinc/04/86/47/170048647.db2.gz VEDDXXVOTCVJGB-WMZOPIPTSA-N 1 1 272.436 3.907 50 10 CHCAMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000004980860 170048679 /nfs/dbraw/zinc/04/86/79/170048679.db2.gz ALQSFWFEWKNECC-HNNXBMFYSA-N 1 1 260.425 3.765 50 10 CHCAMO C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000019634967 567878211 /nfs/dbraw/zinc/87/82/11/567878211.db2.gz RISPVDIVGKGSIN-SECBINFHSA-N 1 1 274.191 3.931 50 10 CHCAMO COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000022023314 567881286 /nfs/dbraw/zinc/88/12/86/567881286.db2.gz FIASJTCNOGERCK-QGZVFWFLSA-N 1 1 298.386 3.523 50 10 CHCAMO COc1ccccc1[C@H](C)[N@@H+](C)Cc1cc(C)ccc1O ZINC000065384310 567898641 /nfs/dbraw/zinc/89/86/41/567898641.db2.gz DZTBDNXHJAUVIU-AWEZNQCLSA-N 1 1 285.387 3.902 50 10 CHCAMO Cc1cc(O)c(C[N@H+]2CCc3ccccc3C2)cc1C ZINC000006208936 170182876 /nfs/dbraw/zinc/18/28/76/170182876.db2.gz NNQCJBSOBDXWNJ-UHFFFAOYSA-N 1 1 267.372 3.567 50 10 CHCAMO CCn1c[nH+]c2cc(NCc3ccc(OC)cc3)ccc21 ZINC000000423332 567829936 /nfs/dbraw/zinc/82/99/36/567829936.db2.gz BTUKXUOJPKBPIP-UHFFFAOYSA-N 1 1 281.359 3.677 50 10 aggregator CHCAMO Cc1ccc(OCC[N@H+](C)Cc2ccccc2O)c(C)c1 ZINC000055108324 570240443 /nfs/dbraw/zinc/24/04/43/570240443.db2.gz VIGCIEQWXVSCFE-UHFFFAOYSA-N 1 1 285.387 3.520 50 10 CHCAMO COc1cccc(C[N@H+]2CCCC[C@H]2c2cccnc2)c1O ZINC000022023196 256874426 /nfs/dbraw/zinc/87/44/26/256874426.db2.gz FXIRDCQKVPVYIE-INIZCTEOSA-N 1 1 298.386 3.523 50 10 CHCAMO O=C(c1coc2ccc(O)c(C[NH+]3CCCCC3)c12)C1CC1 ZINC000004350529 567857062 /nfs/dbraw/zinc/85/70/62/567857062.db2.gz XHYCLOCRRNDNIM-UHFFFAOYSA-N 1 1 299.370 3.717 50 10 CHCAMO Cc1cccc(NCc2c(O)ccc3ccccc32)[nH+]1 ZINC000018322855 567876842 /nfs/dbraw/zinc/87/68/42/567876842.db2.gz PICBEQUIAFOUKR-UHFFFAOYSA-N 1 1 264.328 3.861 50 10 CHCAMO 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