smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2nc(N3CC[NH+](C)CC3)oc2cc1C ZINC000013780589 178301286 /nfs/dbraw/zinc/30/12/86/178301286.db2.gz YCCDMGFHJABJBJ-UHFFFAOYSA-N 1 1 245.326 2.196 1 0 BEAFMO CC(=O)Oc1ccc2c(c1)[C@H]1CC[N@H+](C)[C@@H](C2)C1 ZINC000003616913 187246465 /nfs/dbraw/zinc/24/64/65/187246465.db2.gz AVBOASAOJVZRAI-STQMWFEESA-N 1 1 245.322 2.346 1 0 BEAFMO C=COCCn1c2ccccc2n(CCC)c1=[NH2+] ZINC000020032957 187253412 /nfs/dbraw/zinc/25/34/12/187253412.db2.gz QTWYMXFWACWLTP-UHFFFAOYSA-N 1 1 245.326 2.492 3 0 BEAFMO Cc1cccc([C@H]2CN3CCSC3=[NH+]2)c1 ZINC000169314178 187302904 /nfs/dbraw/zinc/30/29/04/187302904.db2.gz VZSOEIVNAHCWHI-LLVKDONJSA-N 1 1 218.325 2.455 1 0 BEAFMO CC[N@@H+]1CCO[C@@H]2c3cccc(O)c3CC[C@H]21 ZINC000029391079 170005451 /nfs/dbraw/zinc/00/54/51/170005451.db2.gz SQTVSWVHNFRNFK-TZMCWYRMSA-N 1 1 233.311 2.100 1 0 BEAFMO CC[N@H+]1CCO[C@@H]2c3cccc(O)c3CC[C@H]21 ZINC000029391079 170005453 /nfs/dbraw/zinc/00/54/53/170005453.db2.gz SQTVSWVHNFRNFK-TZMCWYRMSA-N 1 1 233.311 2.100 1 0 BEAFMO C[N@H+]1CC[C@@]23C[C@@H]1CC[C@H]2Oc1c3cccc1O ZINC000040845167 173141162 /nfs/dbraw/zinc/14/11/62/173141162.db2.gz CFTBJOBXKMLPAY-ZBINZKHDSA-N 1 1 245.322 2.279 1 0 BEAFMO C[N@H+]1C[C@@H]2C[C@H]1C[C@H](OC(=O)c1ccccc1)C2 ZINC000029223102 173190548 /nfs/dbraw/zinc/19/05/48/173190548.db2.gz JJGGJOXCHDPVTJ-KWCYVHTRSA-N 1 1 245.322 2.326 1 0 BEAFMO C[C@@H]1C[N@@H+](C)CC[C@@H]1c1cccc(O)c1 ZINC000145759203 176268931 /nfs/dbraw/zinc/26/89/31/176268931.db2.gz RBCFJTXWESLVEO-MFKMUULPSA-N 1 1 205.301 2.447 1 0 BEAFMO Cc1cccc(NN2C=[NH+][C@H](C)[C@H]2C)c1 ZINC000029328032 179152345 /nfs/dbraw/zinc/15/23/45/179152345.db2.gz SEYHZXPDDSNQTF-GHMZBOCLSA-N 1 1 203.289 2.443 1 0 BEAFMO O[C@H]1c2c(F)cccc2[NH+]=C2CCCCN21 ZINC000061945392 183249309 /nfs/dbraw/zinc/24/93/09/183249309.db2.gz UGPPJDBSDVDSDI-LBPRGKRZSA-N 1 1 220.247 2.346 3 0 BEAFMO Oc1cccc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1 ZINC000082299804 183294837 /nfs/dbraw/zinc/29/48/37/183294837.db2.gz UBWHUUMDABKZBM-OCCSQVGLSA-N 1 1 233.311 2.318 1 0 BEAFMO Oc1cccc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c1 ZINC000082299804 183294840 /nfs/dbraw/zinc/29/48/40/183294840.db2.gz UBWHUUMDABKZBM-OCCSQVGLSA-N 1 1 233.311 2.318 1 0 BEAFMO c1c2c(cc3c1CC[N@@H+]1CCC[C@H]31)OCO2 ZINC000169309101 183322700 /nfs/dbraw/zinc/32/27/00/183322700.db2.gz JIMJBWVPDMZLDI-LLVKDONJSA-N 1 1 217.268 2.108 1 0 BEAFMO CCC[N@@H+]1CCO[C@@H](c2cccc(O)c2C)C1 ZINC000028957391 169204111 /nfs/dbraw/zinc/20/41/11/169204111.db2.gz MXNXFAHWSZKOJQ-CQSZACIVSA-N 1 1 235.327 2.484 1 0 BEAFMO CCC[N@H+]1CCO[C@@H](c2cccc(O)c2C)C1 ZINC000028957391 169204112 /nfs/dbraw/zinc/20/41/12/169204112.db2.gz MXNXFAHWSZKOJQ-CQSZACIVSA-N 1 1 235.327 2.484 1 0 BEAFMO c1cc([C@@H]2CN3CCSC3=[NH+]2)cs1 ZINC000071294428 183362564 /nfs/dbraw/zinc/36/25/64/183362564.db2.gz UQCWCOHOGGYYKU-QMMMGPOBSA-N 1 1 210.327 2.208 1 0 BEAFMO c1ccc2c(c1)C[C@@H]1CN2CC[N@@H+]1CC1CC1 ZINC000053271381 132363008 /nfs/dbraw/zinc/36/30/08/132363008.db2.gz UFMNRQWEGPYUQL-CQSZACIVSA-N 1 1 228.339 2.143 1 0 BEAFMO C[N@H+]1CCC[C@H]1COc1cc(F)cc(F)c1 ZINC000026389698 173055258 /nfs/dbraw/zinc/05/52/58/173055258.db2.gz RWDRKNXFPKPXKG-NSHDSACASA-N 1 1 227.254 2.438 1 0 BEAFMO C[N@H+]1CC[C@]2(C1)CCCc1ccc(O)cc12 ZINC000027721883 173137330 /nfs/dbraw/zinc/13/73/30/173137330.db2.gz NXZRKBPMTSESCR-AWEZNQCLSA-N 1 1 217.312 2.302 1 0 BEAFMO C[N@H+]1CC[C@@]23C[C@@H]1CC[C@@H]2Oc1c3cccc1O ZINC000027765386 173140612 /nfs/dbraw/zinc/14/06/12/173140612.db2.gz CFTBJOBXKMLPAY-XEGUGMAKSA-N 1 1 245.322 2.279 1 0 BEAFMO C[N@H+]1C[C@@H]2Oc3ccc(O)cc3[C@@]23CCC[C@@H]1C3 ZINC000040379774 173189709 /nfs/dbraw/zinc/18/97/09/173189709.db2.gz XFZCVBMZVIYKCQ-ONERCXAPSA-N 1 1 245.322 2.279 1 0 BEAFMO C[N@H+]1C[C@H]2Oc3ccc(O)cc3[C@@]23CCC[C@@H]1C3 ZINC000072107802 173200576 /nfs/dbraw/zinc/20/05/76/173200576.db2.gz XFZCVBMZVIYKCQ-KMUNFCNLSA-N 1 1 245.322 2.279 1 0 BEAFMO C[N@H+]1[C@H]2C[C@@H](OC(=O)c3ccccc3)[C@@H]1CCC2 ZINC000169330205 173204670 /nfs/dbraw/zinc/20/46/70/173204670.db2.gz ARWACDLWRNGONO-HZSPNIEDSA-N 1 1 245.322 2.469 1 0 BEAFMO COc1cc2c(cc1O)[C@H]1CCC[N@H+]1CC2 ZINC000169309105 175023401 /nfs/dbraw/zinc/02/34/01/175023401.db2.gz DWRNFZKLXGRMQH-LLVKDONJSA-N 1 1 219.284 2.094 1 0 BEAFMO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](C)CC3 ZINC000001628885 175201976 /nfs/dbraw/zinc/20/19/76/175201976.db2.gz RVVJOBLZASPMDJ-UHFFFAOYSA-N 1 1 230.311 2.207 1 0 BEAFMO C[C@@H]1OC(=O)C[C@H]1C/C=C/[C@H]1CCCC[N@H+]1C ZINC000028250400 187255934 /nfs/dbraw/zinc/25/59/34/187255934.db2.gz GWRXGSVCPYKRNL-CAJTZJJPSA-N 1 1 237.343 2.369 1 0 BEAFMO Cc1cccc([C@@H]2CN3CCSC3=[NH+]2)c1 ZINC000169314177 179191063 /nfs/dbraw/zinc/19/10/63/179191063.db2.gz VZSOEIVNAHCWHI-NSHDSACASA-N 1 1 218.325 2.455 1 0 BEAFMO CCC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1CC)[N@@H+]2C ZINC000028259880 168252605 /nfs/dbraw/zinc/25/26/05/168252605.db2.gz PJJUIEUCPSGLBV-SRRSOLGSSA-N 1 1 209.333 2.474 1 0 BEAFMO CC[N@@H+]1CCO[C@H]2c3cccc(OC)c3CC[C@H]21 ZINC000029339377 170005920 /nfs/dbraw/zinc/00/59/20/170005920.db2.gz VQCJVJCKWYCENI-HIFRSBDPSA-N 1 1 247.338 2.403 1 0 BEAFMO CC[N@H+]1CCO[C@H]2c3cccc(OC)c3CC[C@H]21 ZINC000029339377 170005922 /nfs/dbraw/zinc/00/59/22/170005922.db2.gz VQCJVJCKWYCENI-HIFRSBDPSA-N 1 1 247.338 2.403 1 0 BEAFMO C[N@H+]1CCCC[C@@H]1CC(=O)c1ccco1 ZINC000013554210 173005370 /nfs/dbraw/zinc/00/53/70/173005370.db2.gz PXJZDYHQTNYCSQ-SNVBAGLBSA-N 1 1 207.273 2.337 1 0 BEAFMO C[N@H+]1CCC[C@H]1COc1cncc(Cl)c1 ZINC000003805144 173057614 /nfs/dbraw/zinc/05/76/14/173057614.db2.gz OHBKJELOLUDRFU-JTQLQIEISA-N 1 1 226.707 2.208 1 0 BEAFMO C[N@H+]1C[C@@H]2Cc3ccccc3[C@@](C)(C2)C1 ZINC000169319047 173189464 /nfs/dbraw/zinc/18/94/64/173189464.db2.gz IFNJCMLXRLQXFB-RISCZKNCSA-N 1 1 201.313 2.452 1 0 BEAFMO C[N@@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccccc3)C2)C1 ZINC000001995694 173189906 /nfs/dbraw/zinc/18/99/06/173189906.db2.gz KUDHVQBOLXZJRO-GASCZTMLSA-N 1 1 230.355 2.070 1 0 BEAFMO C[N@H+]1C[C@H]2Oc3c(cccc3O)[C@@]23CCC[C@@H]1C3 ZINC000031415405 173199683 /nfs/dbraw/zinc/19/96/83/173199683.db2.gz GGOHBAJDRFZJLG-YVLXSGLVSA-N 1 1 245.322 2.279 1 0 BEAFMO COc1ccc(C2=C[C@@H]3C[C@H](C2)C[N@@H+](C)C3)cn1 ZINC000169294755 175085666 /nfs/dbraw/zinc/08/56/66/175085666.db2.gz XZMYNLLVUGBWFQ-NWDGAFQWSA-N 1 1 244.338 2.445 1 0 BEAFMO COc1ccc2c(c1)[C@H]1OCC[N@H+](C)[C@@H]1CC2 ZINC000029389465 175216909 /nfs/dbraw/zinc/21/69/09/175216909.db2.gz CFNKYTGVHRAGJS-ZIAGYGMSSA-N 1 1 233.311 2.013 1 0 BEAFMO COc1ccc2c(c1)[C@H]1OCC[N@@H+](C)[C@@H]1CC2 ZINC000029389465 175216911 /nfs/dbraw/zinc/21/69/11/175216911.db2.gz CFNKYTGVHRAGJS-ZIAGYGMSSA-N 1 1 233.311 2.013 1 0 BEAFMO COc1ccc2c3c1CC[N@H+](C)C[C@H]3CC2 ZINC000027719916 175224028 /nfs/dbraw/zinc/22/40/28/175224028.db2.gz GANDSXBDUFPZDZ-LLVKDONJSA-N 1 1 217.312 2.213 1 0 BEAFMO C[C@H]1C[N@@H+](C)CC[C@@H]1c1cccc(O)c1 ZINC000059767607 177234893 /nfs/dbraw/zinc/23/48/93/177234893.db2.gz RBCFJTXWESLVEO-GWCFXTLKSA-N 1 1 205.301 2.447 1 0 BEAFMO CC1=CC(=O)O[C@@H](C[C@@H]2CCCC[N@@H+]2C)C1 ZINC000085662223 571787108 /nfs/dbraw/zinc/78/71/08/571787108.db2.gz JFFVCKNYHMIHTF-NWDGAFQWSA-N 1 1 223.316 2.123 1 0 endogenous,in-man BEAFMO CCCCNc1cc(N2CCN(C)CC2)cc[nH+]1 ZINC000299857445 634392870 /nfs/dbraw/zinc/39/28/70/634392870.db2.gz CXDOPVWHKMAKIX-UHFFFAOYSA-N 1 1 248.374 2.045 1 0 BEAFMO Oc1cccc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1 ZINC000082299805 183293682 /nfs/dbraw/zinc/29/36/82/183293682.db2.gz UBWHUUMDABKZBM-TZMCWYRMSA-N 1 1 233.311 2.318 1 0 BEAFMO Oc1cccc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)c1 ZINC000082299805 183293683 /nfs/dbraw/zinc/29/36/83/183293683.db2.gz UBWHUUMDABKZBM-TZMCWYRMSA-N 1 1 233.311 2.318 1 0 BEAFMO c1c[nH+]c(CC[C@@H]2COc3ccccc3O2)[nH]1 ZINC000027738630 183451943 /nfs/dbraw/zinc/45/19/43/183451943.db2.gz LMWVSSDUEFXIER-SNVBAGLBSA-N 1 1 230.267 2.182 1 0 BEAFMO C[N@H+]1CCCC[C@H]1CC(=O)c1ccc(O)cc1 ZINC000014660065 173008074 /nfs/dbraw/zinc/00/80/74/173008074.db2.gz DZUIOQIFAIDHJH-LBPRGKRZSA-N 1 1 233.311 2.449 1 0 endogenous,in-man BEAFMO C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000028106935 173036414 /nfs/dbraw/zinc/03/64/14/173036414.db2.gz YIDSRQHYMDXMGU-SNVBAGLBSA-N 1 1 205.257 2.182 1 0 BEAFMO C[N@H+]1Cc2ccccc2[C@@H]2Cc3n[nH]cc3C[C@H]21 ZINC000013556865 173202305 /nfs/dbraw/zinc/20/23/05/173202305.db2.gz NLOUPIMTFXNZQW-DZGCQCFKSA-N 1 1 239.322 2.106 1 0 BEAFMO COc1ccc2nc(C)c3c(C)[nH+]c(C)n3c2n1 ZINC000049111985 175228092 /nfs/dbraw/zinc/22/80/92/175228092.db2.gz BUSWFVPKVZTMNZ-UHFFFAOYSA-N 1 1 242.282 2.211 1 0 BEAFMO COc1cccc([C@H]2Cc3[nH+]ccn3C2)c1 ZINC000040845412 175296907 /nfs/dbraw/zinc/29/69/07/175296907.db2.gz OZJCKBRXCUUNCT-NSHDSACASA-N 1 1 214.268 2.232 1 0 BEAFMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)C[C@@H]1O ZINC000013152315 177266237 /nfs/dbraw/zinc/26/62/37/177266237.db2.gz LDTHAFXMNUJREZ-OBJOEFQTSA-N 1 1 219.328 2.278 1 0 BEAFMO C[C@H]1C[C@@](O)(Cc2ccccc2)[C@@H](C)C[N@H+]1C ZINC000013118311 177352780 /nfs/dbraw/zinc/35/27/80/177352780.db2.gz YSGPBYGQFUGPJJ-KCQAQPDRSA-N 1 1 233.355 2.320 1 0 BEAFMO Cc1cc2c(c(N(C)C)c1)N[C@H]1CC[N@@H+](C)C[C@@H]21 ZINC000053160110 178283931 /nfs/dbraw/zinc/28/39/31/178283931.db2.gz MRLBAQIXWSNUKC-STQMWFEESA-N 1 1 245.370 2.274 1 0 BEAFMO CC(=O)O[C@@H]1C[C@H]2C[C@@H]1[N@@H+](Cc1ccccc1)C2 ZINC000026284561 188283308 /nfs/dbraw/zinc/28/33/08/188283308.db2.gz XFDLNDUXOKYOCU-QLFBSQMISA-N 1 1 245.322 2.213 1 0 BEAFMO CCC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1CC)[N@@H+]2C ZINC000169367068 168253020 /nfs/dbraw/zinc/25/30/20/168253020.db2.gz PJJUIEUCPSGLBV-MEWQQHAOSA-N 1 1 209.333 2.474 1 0 BEAFMO CC[N@@H+]1CCO[C@@H]2c3c(O)cccc3CC[C@H]21 ZINC000029390474 170004268 /nfs/dbraw/zinc/00/42/68/170004268.db2.gz LWCSNNBPUXPPTN-RISCZKNCSA-N 1 1 233.311 2.100 1 0 BEAFMO CC[N@H+]1CCO[C@@H]2c3c(O)cccc3CC[C@H]21 ZINC000029390474 170004269 /nfs/dbraw/zinc/00/42/69/170004269.db2.gz LWCSNNBPUXPPTN-RISCZKNCSA-N 1 1 233.311 2.100 1 0 BEAFMO CC[N@H+]1CCO[C@@H]2c3ccc(O)cc3CC[C@H]21 ZINC000029341641 170004452 /nfs/dbraw/zinc/00/44/52/170004452.db2.gz OADROXWBYMSSKW-ZIAGYGMSSA-N 1 1 233.311 2.100 1 0 BEAFMO C[N@H+]1CCCC[C@@H]1CC(=O)c1ccc(O)cc1 ZINC000014660062 173004423 /nfs/dbraw/zinc/00/44/23/173004423.db2.gz DZUIOQIFAIDHJH-GFCCVEGCSA-N 1 1 233.311 2.449 1 0 endogenous,in-man BEAFMO C[N@H+]1CC[C@@](O)(c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000004007209 173138287 /nfs/dbraw/zinc/13/82/87/173138287.db2.gz KBAOXKUYIGCMEM-QLFBSQMISA-N 1 1 231.339 2.378 1 0 BEAFMO C[N@@H+]1C[C@H]2C=C(c3cccnc3)C[C@H](C2)C1 ZINC000095571633 173189011 /nfs/dbraw/zinc/18/90/11/173189011.db2.gz PWXQAVZNBKKQOF-NEPJUHHUSA-N 1 1 214.312 2.437 1 0 BEAFMO C[N@@H+]1[C@H]2C=C(c3cccnc3)C[C@@H]1CC2 ZINC000000007501 173206859 /nfs/dbraw/zinc/20/68/59/173206859.db2.gz OZAJXVSFXYHSBL-OLZOCXBDSA-N 1 1 200.285 2.332 1 0 BEAFMO COc1ccc(OC2=CC[N@@H+](C)CC2)cc1 ZINC000013603027 175171336 /nfs/dbraw/zinc/17/13/36/175171336.db2.gz XDEZOSPTTCSOQY-UHFFFAOYSA-N 1 1 219.284 2.293 1 0 BEAFMO CC1=CC(=O)O[C@H](C[C@@H]2CCCC[N@@H+]2C)C1 ZINC000015148369 571732815 /nfs/dbraw/zinc/73/28/15/571732815.db2.gz JFFVCKNYHMIHTF-RYUDHWBXSA-N 1 1 223.316 2.123 1 0 endogenous,in-man BEAFMO CCC[N@@H+]1CCc2nn3ccccc3c2C1 ZINC000012355903 169208944 /nfs/dbraw/zinc/20/89/44/169208944.db2.gz URWBDIMBZFWGSF-UHFFFAOYSA-N 1 1 215.300 2.102 1 0 BEAFMO CCC[N@H+]1CCc2nn3ccccc3c2C1 ZINC000012355903 169208946 /nfs/dbraw/zinc/20/89/46/169208946.db2.gz URWBDIMBZFWGSF-UHFFFAOYSA-N 1 1 215.300 2.102 1 0 BEAFMO CCC[N@H+]1Cc2cccc3nnn(c32)C[C@H]1C ZINC000006380315 169211264 /nfs/dbraw/zinc/21/12/64/169211264.db2.gz YYXDPSDTVPZYQQ-SNVBAGLBSA-N 1 1 230.315 2.045 1 0 BEAFMO CC1(C)[C@@H]2C[C@H]1C(C[N@H+]1CCC[C@H]1CO)=CC2 ZINC000000212377 168009925 /nfs/dbraw/zinc/00/99/25/168009925.db2.gz MTWNYZLGPQWNAM-IHRRRGAJSA-N 1 1 235.371 2.436 1 0 BEAFMO CCC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1CC)[N@@H+]2C ZINC000013736161 168253798 /nfs/dbraw/zinc/25/37/98/168253798.db2.gz PJJUIEUCPSGLBV-KQXIARHKSA-N 1 1 209.333 2.474 1 0 BEAFMO CC[N@@H+]1CCc2cc3nc(N)sc3cc2CC1 ZINC000095584367 170025772 /nfs/dbraw/zinc/02/57/72/170025772.db2.gz JWBVNNFHWXWIGX-UHFFFAOYSA-N 1 1 247.367 2.299 1 0 BEAFMO CN1CC[N@@H+](C)[C@@H](C23CC4CC(CC(C4)C2)C3)C1 ZINC000028817672 173072647 /nfs/dbraw/zinc/07/26/47/173072647.db2.gz MZTNGIAWUSMLEO-IBHBGHMQSA-N 1 1 248.414 2.449 1 0 BEAFMO CN1CC[N@H+](C)C[C@@H]1C12CC3CC(CC(C3)C1)C2 ZINC000028817672 173072650 /nfs/dbraw/zinc/07/26/50/173072650.db2.gz MZTNGIAWUSMLEO-IBHBGHMQSA-N 1 1 248.414 2.449 1 0 BEAFMO CN1CC[N@@H+](C)C[C@@H]1C12CC3CC(CC(C3)C1)C2 ZINC000028817672 173072652 /nfs/dbraw/zinc/07/26/52/173072652.db2.gz MZTNGIAWUSMLEO-IBHBGHMQSA-N 1 1 248.414 2.449 1 0 BEAFMO CN1c2ccccc2[C@]2(C)CC[N@@H+](C)[C@H]12 ZINC000039367729 173138018 /nfs/dbraw/zinc/13/80/18/173138018.db2.gz KLJZEHNRALYISE-OLZOCXBDSA-N 1 1 202.301 2.056 1 0 BEAFMO CN1c2ccccc2[C@]2(C)CC[N@H+](C)[C@H]12 ZINC000039367729 173138020 /nfs/dbraw/zinc/13/80/20/173138020.db2.gz KLJZEHNRALYISE-OLZOCXBDSA-N 1 1 202.301 2.056 1 0 BEAFMO C[N@H+]1CC[C@@]2(C1)CCCc1cc(O)ccc12 ZINC000027722560 173165693 /nfs/dbraw/zinc/16/56/93/173165693.db2.gz MQXLGPFGUDOQBJ-CQSZACIVSA-N 1 1 217.312 2.302 1 0 BEAFMO C[N@H+]1C[C@H]2Oc3cc(O)ccc3[C@@]23CCC[C@@H]1C3 ZINC000027862859 173199561 /nfs/dbraw/zinc/19/95/61/173199561.db2.gz QDIFHGMUGAIVEJ-KMUNFCNLSA-N 1 1 245.322 2.279 1 0 BEAFMO C[N@@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1ccco1)C2 ZINC000000174800 173205802 /nfs/dbraw/zinc/20/58/02/173205802.db2.gz JBTLJHIQAFDIPV-ZACCUICWSA-N 1 1 235.283 2.062 1 0 BEAFMO COC(=O)c1coc(C2=C[NH+]3CCC2CC3)c1 ZINC000013766611 173911256 /nfs/dbraw/zinc/91/12/56/173911256.db2.gz KGQWSXHLBXVECT-UHFFFAOYSA-N 1 1 233.267 2.133 1 0 BEAFMO COc1ccc([C@@H]2CCC[N@H+]2C)cc1OC ZINC000028021599 175182685 /nfs/dbraw/zinc/18/26/85/175182685.db2.gz LDILHEINTZRACH-NSHDSACASA-N 1 1 221.300 2.471 1 0 BEAFMO Cc1[nH]c[nH+]c1Cn1ccc2ccccc2c1=O ZINC000026993318 177532050 /nfs/dbraw/zinc/53/20/50/177532050.db2.gz JDTMFYJONPMSCF-UHFFFAOYSA-N 1 1 239.278 2.081 1 0 BEAFMO CC(=O)O[C@H]1C[C@H]2C[C@@H]1C[N@H+]2Cc1ccccc1 ZINC000013456318 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CC[N@@H+]1CCO[C@@H]2c3cccc(OC)c3CC[C@H]21 ZINC000029339380 170004519 /nfs/dbraw/zinc/00/45/19/170004519.db2.gz VQCJVJCKWYCENI-UKRRQHHQSA-N 1 1 247.338 2.403 1 0 BEAFMO CC[N@H+]1CCO[C@@H]2c3cccc(OC)c3CC[C@H]21 ZINC000029339380 170004520 /nfs/dbraw/zinc/00/45/20/170004520.db2.gz VQCJVJCKWYCENI-UKRRQHHQSA-N 1 1 247.338 2.403 1 0 BEAFMO C[N@H+]1CCCC[C@@H]1CC(=O)c1ccccn1 ZINC000013554214 173005011 /nfs/dbraw/zinc/00/50/11/173005011.db2.gz LXGBAZQTFHNCQH-LLVKDONJSA-N 1 1 218.300 2.139 1 0 BEAFMO C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000028108474 173059283 /nfs/dbraw/zinc/05/92/83/173059283.db2.gz ARMZCQHPPXIFAD-NSHDSACASA-N 1 1 219.284 2.225 1 0 BEAFMO C[N@H+]1CC[C@@]23C[C@@H]1CC[C@H]2Oc1ccc(O)cc13 ZINC000040394063 173141035 /nfs/dbraw/zinc/14/10/35/173141035.db2.gz XSUYNLVDLMCOCB-VQISRLSMSA-N 1 1 245.322 2.279 1 0 BEAFMO C[N@H+]1CC[C@]23C[C@H]1CC[C@H]2Oc1ccc(O)cc13 ZINC000072177320 173166944 /nfs/dbraw/zinc/16/69/44/173166944.db2.gz XSUYNLVDLMCOCB-VCTAVGKDSA-N 1 1 245.322 2.279 1 0 BEAFMO C[N@H+]1C[C@H]2CC(c3cccnc3)=C[C@H](C2)C1 ZINC000095578687 173188361 /nfs/dbraw/zinc/18/83/61/173188361.db2.gz PWXQAVZNBKKQOF-NWDGAFQWSA-N 1 1 214.312 2.437 1 0 BEAFMO C[N@H+]1C[C@H]2C[C@@H]1C[C@@H](OC(=O)c1ccccc1)C2 ZINC000013447564 173190849 /nfs/dbraw/zinc/19/08/49/173190849.db2.gz JJGGJOXCHDPVTJ-YUTCNCBUSA-N 1 1 245.322 2.326 1 0 BEAFMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]2OC(=O)c1ccccc1 ZINC000013834351 173205285 /nfs/dbraw/zinc/20/52/85/173205285.db2.gz ARWACDLWRNGONO-MJBXVCDLSA-N 1 1 245.322 2.469 1 0 BEAFMO COc1ccc([C@@H]2Cc3[nH+]ccn3C2)cc1 ZINC000040823032 175185436 /nfs/dbraw/zinc/18/54/36/175185436.db2.gz CQPRHMLRHXLMEL-LLVKDONJSA-N 1 1 214.268 2.232 1 0 BEAFMO COc1ccc([C@H]2CCC[N@H+]2C)cc1OC ZINC000028021604 175194572 /nfs/dbraw/zinc/19/45/72/175194572.db2.gz LDILHEINTZRACH-LLVKDONJSA-N 1 1 221.300 2.471 1 0 BEAFMO COc1ccc2c(c1)[C@@H]1OCC[N@H+](C)[C@@H]1CC2 ZINC000029389462 175215317 /nfs/dbraw/zinc/21/53/17/175215317.db2.gz CFNKYTGVHRAGJS-KGLIPLIRSA-N 1 1 233.311 2.013 1 0 BEAFMO COc1ccc2c(c1)[C@@H]1OCC[N@@H+](C)[C@@H]1CC2 ZINC000029389462 175215318 /nfs/dbraw/zinc/21/53/18/175215318.db2.gz CFNKYTGVHRAGJS-KGLIPLIRSA-N 1 1 233.311 2.013 1 0 BEAFMO COc1cccc(OC2=CC[N@@H+](C)CC2)c1 ZINC000013603029 175282466 /nfs/dbraw/zinc/28/24/66/175282466.db2.gz QFPWYQWVCIKGNC-UHFFFAOYSA-N 1 1 219.284 2.293 1 0 BEAFMO COc1cccc2[nH+]c3c(c(N)c21)CCCO3 ZINC000027410161 175307718 /nfs/dbraw/zinc/30/77/18/175307718.db2.gz ZWEQTMLHBVSDBQ-UHFFFAOYSA-N 1 1 230.267 2.151 1 0 BEAFMO COc1cncc(C2=C[C@H]3C[C@@H](C2)C[N@@H+](C)C3)c1 ZINC000095579621 175383800 /nfs/dbraw/zinc/38/38/00/175383800.db2.gz PMQMQOADOYNRNP-NEPJUHHUSA-N 1 1 244.338 2.445 1 0 BEAFMO