smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSC(C)(C)CC[N@H+]1CC[C@H](C(N)=O)C1 ZINC000585086147 972123376 /nfs/dbraw/zinc/12/33/76/972123376.db2.gz MMLJEZNHESPADZ-VIFPVBQESA-N 1 1 230.377 1.325 50 0 BDAAMO CCC1C[NH+](CC(=O)NCCc2ccccn2)C1 ZINC000585122188 972152201 /nfs/dbraw/zinc/15/22/01/972152201.db2.gz PYWZKHKLEUCXGT-UHFFFAOYSA-N 1 1 247.342 1.082 50 0 BDAAMO Cn1cccc1C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000585130680 972166266 /nfs/dbraw/zinc/16/62/66/972166266.db2.gz YSNCJEDQFVEYBG-NEPJUHHUSA-N 1 1 247.342 1.049 50 0 BDAAMO CC[C@H](C(=O)NCCc1ccncc1)[N@@H+](C)CC ZINC000822555130 968525766 /nfs/dbraw/zinc/52/57/66/968525766.db2.gz WSBOCOKVQPLIMY-CYBMUJFWSA-N 1 1 249.358 1.471 50 0 BDAAMO CCC(CC)C[N@H+]1CC[C@H](CO)[C@H](N(C)C)C1 ZINC000581799407 969123727 /nfs/dbraw/zinc/12/37/27/969123727.db2.gz ZIFWHOXUKRMQFN-ZIAGYGMSSA-N 1 1 242.407 1.667 50 0 BDAAMO CC[C@H](C(=O)N(C)C1(COC)CC1)[N@@H+](C)CC ZINC000952870074 974051751 /nfs/dbraw/zinc/05/17/51/974051751.db2.gz RKZUYOVVTLYDGF-LLVKDONJSA-N 1 1 242.363 1.354 50 0 BDAAMO CCN(C)c1cc[nH+]c(N[C@H](C)C(C)(C)O)n1 ZINC001506405230 988773490 /nfs/dbraw/zinc/77/34/90/988773490.db2.gz IZLQXLZWPPAMSX-SECBINFHSA-N 1 1 238.335 1.504 50 0 BDAAMO CN(C)[C@@H]1CC[N@H+](C2CSCCSC2)C1 ZINC001506413785 988778269 /nfs/dbraw/zinc/77/82/69/988778269.db2.gz VQMPZIAYMTUUTJ-SNVBAGLBSA-N 1 1 246.445 1.471 50 0 BDAAMO C[NH+](C)[C@@H]1CCN(C2CSCCSC2)C1 ZINC001506413785 988778271 /nfs/dbraw/zinc/77/82/71/988778271.db2.gz VQMPZIAYMTUUTJ-SNVBAGLBSA-N 1 1 246.445 1.471 50 0 BDAAMO Cc1cccc(CC[N@H+](C)C[C@H]2CCOC2)n1 ZINC000564895107 398194197 /nfs/dbraw/zinc/19/41/97/398194197.db2.gz AGDYXNLLJBTWCZ-CYBMUJFWSA-N 1 1 234.343 1.901 50 0 BDAAMO CCn1cncc1CN(C)C[C@@H]1CCC[N@H+]1C ZINC000421408448 192332877 /nfs/dbraw/zinc/33/28/77/192332877.db2.gz LGGMIAAXCHQBNR-LBPRGKRZSA-N 1 1 236.363 1.429 50 0 BDAAMO [NH3+][C@H]1c2ccccc2N(CC2CC2)C1=O ZINC000100236618 342713599 /nfs/dbraw/zinc/71/35/99/342713599.db2.gz BNBCRYXRCBHAFJ-NSHDSACASA-N 1 1 202.257 1.443 50 0 BDAAMO CCN1CCC([NH2+]CCCOC)CC1 ZINC000002499060 342721544 /nfs/dbraw/zinc/72/15/44/342721544.db2.gz LPGHQOZIFNSTDP-UHFFFAOYSA-N 1 1 200.326 1.097 50 0 BDAAMO Cc1cc(C)n(C(=[NH2+])NC(=O)c2ccccc2)n1 ZINC000006484642 342778502 /nfs/dbraw/zinc/77/85/02/342778502.db2.gz KDTSAMCTLHBETH-UHFFFAOYSA-N 1 1 242.282 1.713 50 0 BDAAMO C/C=C/C[NH+]1CCN(c2ccccn2)CC1 ZINC000040477273 538971921 /nfs/dbraw/zinc/97/19/21/538971921.db2.gz RCLWHXZTCUASPE-NSCUHMNNSA-N 1 1 217.316 1.780 50 0 BDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1N ZINC000008733325 342804062 /nfs/dbraw/zinc/80/40/62/342804062.db2.gz GRBYMPJDJOWNJV-LLVKDONJSA-N 1 1 247.342 1.483 50 0 BDAAMO CCCCN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC000095457373 398316527 /nfs/dbraw/zinc/31/65/27/398316527.db2.gz UDZLWYGKSGONRS-UHFFFAOYSA-N 1 1 239.319 1.608 50 0 BDAAMO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cccs1 ZINC000014989057 342890435 /nfs/dbraw/zinc/89/04/35/342890435.db2.gz TUHUBACSRUGZKW-JTQLQIEISA-N 1 1 225.313 1.886 50 0 BDAAMO COC(=O)[C@@H]1CCC[N@H+]1Cc1cccs1 ZINC000014989057 342890436 /nfs/dbraw/zinc/89/04/36/342890436.db2.gz TUHUBACSRUGZKW-JTQLQIEISA-N 1 1 225.313 1.886 50 0 BDAAMO Cc1ccc(CN2CC[NH2+][C@@H](C)C2=O)cc1 ZINC000015015310 342890604 /nfs/dbraw/zinc/89/06/04/342890604.db2.gz RCEPVMUSZMGPMP-NSHDSACASA-N 1 1 218.300 1.315 50 0 BDAAMO Fc1ccc(C[NH2+]Cc2cc[nH]n2)cc1 ZINC000036900063 342912915 /nfs/dbraw/zinc/91/29/15/342912915.db2.gz JTYFAIBZKMBGMY-UHFFFAOYSA-N 1 1 205.236 1.839 50 0 BDAAMO CC(C)C1N2CC3(C)C[NH+]1CC(C)(C2)C3=O ZINC000019326169 342945899 /nfs/dbraw/zinc/94/58/99/342945899.db2.gz FTEJOFLBOVKXSP-UHFFFAOYSA-N 1 1 222.332 1.195 50 0 BDAAMO COc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000019594736 342952057 /nfs/dbraw/zinc/95/20/57/342952057.db2.gz AHVQWBLWCDQFQM-UHFFFAOYSA-N 1 1 248.326 1.012 50 0 BDAAMO C[C@H]1C[C@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000246948529 342989905 /nfs/dbraw/zinc/98/99/05/342989905.db2.gz RZZMOAWLZHJQET-OFIBSPLFSA-N 1 1 236.359 1.774 50 0 BDAAMO Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000020596049 342992157 /nfs/dbraw/zinc/99/21/57/342992157.db2.gz PCEMWNOPCGJGPF-ZDUSSCGKSA-N 1 1 242.326 1.912 50 0 BDAAMO C[C@H]1C[N@@H+](C)CC[C@@]1(O)C(=O)c1ccccc1 ZINC000013757330 343103221 /nfs/dbraw/zinc/10/32/21/343103221.db2.gz FVSPEICUIGLILX-FZMZJTMJSA-N 1 1 233.311 1.572 50 0 BDAAMO CC(C)[C@@H]1C[N@@H+](CC(C)(C)O)CCS1 ZINC000072304985 343243890 /nfs/dbraw/zinc/24/38/90/343243890.db2.gz CTCXRFPRZIAXCI-JTQLQIEISA-N 1 1 217.378 1.831 50 0 BDAAMO COC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000020303496 343630246 /nfs/dbraw/zinc/63/02/46/343630246.db2.gz LGCHTHNCFDGWBW-UHFFFAOYSA-N 1 1 219.284 1.608 50 0 in-vitro BDAAMO CC[N@H+](Cc1ccccc1F)C[C@@H](O)CO ZINC000065384331 343778844 /nfs/dbraw/zinc/77/88/44/343778844.db2.gz SSLKHNWPDDUWOB-LLVKDONJSA-N 1 1 227.279 1.001 50 0 BDAAMO C[N@H+]1CCC[C@H]1C(=O)N1CCC=C(F)C1 ZINC000334606395 343894412 /nfs/dbraw/zinc/89/44/12/343894412.db2.gz RMWVOHVGPGUFPD-JTQLQIEISA-N 1 1 212.268 1.166 50 0 BDAAMO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccn2C)C1 ZINC000095430362 187288339 /nfs/dbraw/zinc/28/83/39/187288339.db2.gz BTZUAVOEPOVVHL-ZDUSSCGKSA-N 1 1 249.358 1.373 50 0 BDAAMO C[C@H]1C[C@@H](CN(C)Cc2nnc[nH]2)CCO1 ZINC000408145063 344159823 /nfs/dbraw/zinc/15/98/23/344159823.db2.gz PKSMCXUEDYQTHS-UWVGGRQHSA-N 1 1 224.308 1.052 50 0 BDAAMO CC1(C)C[N@H+](Cc2nccs2)C[C@]1(C)O ZINC000091873151 344286282 /nfs/dbraw/zinc/28/62/82/344286282.db2.gz FSSJAVBVDWRWFY-NSHDSACASA-N 1 1 226.345 1.736 50 0 BDAAMO CC1(C)C[N@@H+](Cc2nccs2)C[C@]1(C)O ZINC000091873151 344286284 /nfs/dbraw/zinc/28/62/84/344286284.db2.gz FSSJAVBVDWRWFY-NSHDSACASA-N 1 1 226.345 1.736 50 0 BDAAMO CC[N@H+]1CCC[C@H]1CNCc1ccccn1 ZINC000095223305 344334048 /nfs/dbraw/zinc/33/40/48/344334048.db2.gz KEWZRWGYHXXRLK-ZDUSSCGKSA-N 1 1 219.332 1.656 50 0 BDAAMO CCN1CCC[C@H]1C[NH2+]Cc1ccccn1 ZINC000095223305 344334050 /nfs/dbraw/zinc/33/40/50/344334050.db2.gz KEWZRWGYHXXRLK-ZDUSSCGKSA-N 1 1 219.332 1.656 50 0 BDAAMO CC(C)(C)OC[C@H]1C[N@H+]2CCC[C@H]2CN1 ZINC000072233343 344519073 /nfs/dbraw/zinc/51/90/73/344519073.db2.gz UFAIRFWDNNFWQI-MNOVXSKESA-N 1 1 212.337 1.238 50 0 BDAAMO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1nccs1 ZINC000095978836 345687020 /nfs/dbraw/zinc/68/70/20/345687020.db2.gz UKMVNXMCWCKWRV-VIFPVBQESA-N 1 1 226.345 1.878 50 0 BDAAMO CC(C)(C)c1nc(C[NH2+]CCO)cs1 ZINC000058004724 187319516 /nfs/dbraw/zinc/31/95/16/187319516.db2.gz OAVODZFDTAYFLK-UHFFFAOYSA-N 1 1 214.334 1.523 50 0 BDAAMO Cc1cccc(C[N@@H+](C)C[C@H]2COCCO2)c1 ZINC000216049209 179066959 /nfs/dbraw/zinc/06/69/59/179066959.db2.gz GJDLPPZKOOIBDA-AWEZNQCLSA-N 1 1 235.327 1.842 50 0 BDAAMO Cc1cccc(NC(=O)NN2CC[NH+](C)CC2)c1 ZINC000002773578 179135473 /nfs/dbraw/zinc/13/54/73/179135473.db2.gz GQAJDNKNMOVBIY-UHFFFAOYSA-N 1 1 248.330 1.279 50 0 BDAAMO Cc1cccc([C@H]2CCC[N@H+]2CC(N)=O)c1C ZINC000098013275 179204270 /nfs/dbraw/zinc/20/42/70/179204270.db2.gz IVIOGHHJUOEXIP-CYBMUJFWSA-N 1 1 232.327 1.926 50 0 BDAAMO CCCCSC[C@@H](O)C[NH+]1CCOCC1 ZINC000019757263 347354410 /nfs/dbraw/zinc/35/44/10/347354410.db2.gz JPBPKOOCXVJOMC-NSHDSACASA-N 1 1 233.377 1.213 50 0 BDAAMO Cc1ccccc1CN1CC[NH+](C)CC1 ZINC000019537589 179274422 /nfs/dbraw/zinc/27/44/22/179274422.db2.gz ASNZWAPWDAKYIU-UHFFFAOYSA-N 1 1 204.317 1.742 50 0 BDAAMO Cc1ccccc1[C@@H]1CC[N@@H+](CCC(N)=O)C1 ZINC000069444445 179327890 /nfs/dbraw/zinc/32/78/90/179327890.db2.gz CTXFRDJOVLUZHU-GFCCVEGCSA-N 1 1 232.327 1.660 50 0 BDAAMO C[C@H]1C[N@@H+](CC2=CCCOC2)C(C)(C)CO1 ZINC000184797198 349314084 /nfs/dbraw/zinc/31/40/84/349314084.db2.gz YQVHVIZVBBDOSO-NSHDSACASA-N 1 1 225.332 1.832 50 0 BDAAMO Cc1ncc2c(n1)C[N@@H+](CCn1cccn1)CC2 ZINC000069454155 180178474 /nfs/dbraw/zinc/17/84/74/180178474.db2.gz LZVXAYTXBBDTNU-UHFFFAOYSA-N 1 1 243.314 1.040 50 0 BDAAMO Cc1ncc2c(n1)C[N@H+](CCn1cccn1)CC2 ZINC000069454155 180178475 /nfs/dbraw/zinc/17/84/75/180178475.db2.gz LZVXAYTXBBDTNU-UHFFFAOYSA-N 1 1 243.314 1.040 50 0 BDAAMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)on1 ZINC000040522672 350370428 /nfs/dbraw/zinc/37/04/28/350370428.db2.gz RMEQNIBEXZZXGC-JTQLQIEISA-N 1 1 249.314 1.197 50 0 BDAAMO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1nccn1C ZINC000341699270 180382839 /nfs/dbraw/zinc/38/28/39/180382839.db2.gz YIRPHXHNAMUKJK-GXSJLCMTSA-N 1 1 247.346 1.874 50 0 BDAAMO CS[C@H]1CCC[C@H]1[N@@H+](C)CCn1cncn1 ZINC000076146984 362982219 /nfs/dbraw/zinc/98/22/19/362982219.db2.gz NJXXGWDQBDHXFI-MNOVXSKESA-N 1 1 240.376 1.494 50 0 BDAAMO CC(C)COCC[N@@H+](C)C[C@@H]1CCCO1 ZINC000225723304 191133091 /nfs/dbraw/zinc/13/30/91/191133091.db2.gz LWSJPZIISYZHFT-LBPRGKRZSA-N 1 1 215.337 1.770 50 0 BDAAMO Cn1ccnc1[C@@H]([NH3+])c1cccc(F)c1 ZINC000003888569 180755258 /nfs/dbraw/zinc/75/52/58/180755258.db2.gz MJRFADGYJSKDSG-JTQLQIEISA-N 1 1 205.236 1.607 50 0 BDAAMO CC(=O)[C@](C)(O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000241316956 188018994 /nfs/dbraw/zinc/01/89/94/188018994.db2.gz LWKNHECUJPITCG-CYBMUJFWSA-N 1 1 239.290 1.598 50 0 BDAAMO Cn1cnc(C[NH2+]Cc2ccc(F)cc2)c1 ZINC000309264100 538111048 /nfs/dbraw/zinc/11/10/48/538111048.db2.gz IYHDIJIDUJXOMJ-UHFFFAOYSA-N 1 1 219.263 1.849 50 0 BDAAMO CC[NH+]1CCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC000032747674 354543628 /nfs/dbraw/zinc/54/36/28/354543628.db2.gz FZFRMWHZUHZLNB-LBPRGKRZSA-N 1 1 222.332 1.507 50 0 BDAAMO CC[C@]1(O)CCC[N@@H+](Cc2cnc(C)nc2)C1 ZINC000639385755 355981347 /nfs/dbraw/zinc/98/13/47/355981347.db2.gz VKISALNJOCVBAA-ZDUSSCGKSA-N 1 1 235.331 1.522 50 0 BDAAMO NC(=O)C[C@H]1CCCC[N@H+]1Cc1ccsc1 ZINC000092589301 181246479 /nfs/dbraw/zinc/24/64/79/181246479.db2.gz PSJCKPRJSOJJKJ-LLVKDONJSA-N 1 1 238.356 1.978 50 0 BDAAMO CCOC(C[N@@H+]1CCO[C@@H](C)[C@H]1C)OCC ZINC000248626197 356255677 /nfs/dbraw/zinc/25/56/77/356255677.db2.gz PONWXVYXUCWJPQ-MNOVXSKESA-N 1 1 231.336 1.495 50 0 BDAAMO CCOC(C[N@H+]1CCO[C@@H](C)[C@H]1C)OCC ZINC000248626197 356255681 /nfs/dbraw/zinc/25/56/81/356255681.db2.gz PONWXVYXUCWJPQ-MNOVXSKESA-N 1 1 231.336 1.495 50 0 BDAAMO NC(=O)[C@H]1CCCC[N@@H+]1CCOc1ccccc1 ZINC000065562430 181279779 /nfs/dbraw/zinc/27/97/79/181279779.db2.gz XLIVVZXAFABOQC-CYBMUJFWSA-N 1 1 248.326 1.405 50 0 BDAAMO NC(=O)[C@H]1CCCC[N@H+]1CCOc1ccccc1 ZINC000065562430 181279780 /nfs/dbraw/zinc/27/97/80/181279780.db2.gz XLIVVZXAFABOQC-CYBMUJFWSA-N 1 1 248.326 1.405 50 0 BDAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000000278817 181281085 /nfs/dbraw/zinc/28/10/85/181281085.db2.gz DPWAZNKOJKMLTR-NSHDSACASA-N 1 1 236.290 1.523 50 0 BDAAMO CC(C)=CC[N@@H+](C)[C@H]1CCC[C@H]1S(C)(=O)=O ZINC000252517149 363535533 /nfs/dbraw/zinc/53/55/33/363535533.db2.gz AZEKOFUKIRALTA-NWDGAFQWSA-N 1 1 245.388 1.850 50 0 BDAAMO CC(C)=CC[N@H+](C)[C@H]1CCC[C@H]1S(C)(=O)=O ZINC000252517149 363535536 /nfs/dbraw/zinc/53/55/36/363535536.db2.gz AZEKOFUKIRALTA-NWDGAFQWSA-N 1 1 245.388 1.850 50 0 BDAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)NCc1ccco1 ZINC000089938175 538586467 /nfs/dbraw/zinc/58/64/67/538586467.db2.gz SLGYMCNODLULEA-SNVBAGLBSA-N 1 1 237.303 1.125 50 0 BDAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1ccco1 ZINC000089938175 538586474 /nfs/dbraw/zinc/58/64/74/538586474.db2.gz SLGYMCNODLULEA-SNVBAGLBSA-N 1 1 237.303 1.125 50 0 BDAAMO c1cnn([C@H]2CCC[N@H+]([C@@H]3CCOC3)C2)c1 ZINC000095442093 360336808 /nfs/dbraw/zinc/33/68/08/360336808.db2.gz ONIKGHANEVHOAU-NWDGAFQWSA-N 1 1 221.304 1.309 50 0 BDAAMO [NH3+]C1CCN(C2Cc3ccccc3C2)CC1 ZINC000037374859 181343216 /nfs/dbraw/zinc/34/32/16/181343216.db2.gz WKCGEZCOLSQCQQ-UHFFFAOYSA-N 1 1 216.328 1.577 50 0 BDAAMO C[C@@H]1C[N@H+](C)CC[C@H]1[NH+]1CCC(C(=O)[O-])CC1 ZINC000101100296 368384120 /nfs/dbraw/zinc/38/41/20/368384120.db2.gz XLGKQQPFLTVXDD-ZYHUDNBSSA-N 1 1 240.347 1.123 50 0 BDAAMO C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+]1CCC(C(=O)[O-])CC1 ZINC000101100296 368384129 /nfs/dbraw/zinc/38/41/29/368384129.db2.gz XLGKQQPFLTVXDD-ZYHUDNBSSA-N 1 1 240.347 1.123 50 0 BDAAMO NC(=O)[C@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459286057 203248690 /nfs/dbraw/zinc/24/86/90/203248690.db2.gz CTKZHCHATGQJON-IHRRRGAJSA-N 1 1 244.338 1.597 50 0 BDAAMO F[C@@H]1C[NH2+][C@H](c2nc(-c3cccnc3)no2)C1 ZINC000409423014 369975647 /nfs/dbraw/zinc/97/56/47/369975647.db2.gz KRDQPUVCMBXOJV-IUCAKERBSA-N 1 1 234.234 1.504 50 0 BDAAMO F[C@H]1C[NH2+][C@H](c2nc(-c3ccncc3)no2)C1 ZINC000409422951 369975916 /nfs/dbraw/zinc/97/59/16/369975916.db2.gz JWAYNCWXNSMRKT-BDAKNGLRSA-N 1 1 234.234 1.504 50 0 BDAAMO CC[N@@H+]1CCC[C@@H](NCc2c[nH]nc2C)C1 ZINC000040502720 373359999 /nfs/dbraw/zinc/35/99/99/373359999.db2.gz XERDKYKXOQOEOQ-GFCCVEGCSA-N 1 1 222.336 1.292 50 0 BDAAMO CC[N@H+]1CCC[C@@H](NCc2c[nH]nc2C)C1 ZINC000040502720 373360002 /nfs/dbraw/zinc/36/00/02/373360002.db2.gz XERDKYKXOQOEOQ-GFCCVEGCSA-N 1 1 222.336 1.292 50 0 BDAAMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000019203921 182169042 /nfs/dbraw/zinc/16/90/42/182169042.db2.gz FFUORYKWLCQODB-UHFFFAOYSA-N 1 1 248.326 1.139 50 0 BDAAMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccn1 ZINC000069529597 182243308 /nfs/dbraw/zinc/24/33/08/182243308.db2.gz XLVPYCVBHMEGKF-LLVKDONJSA-N 1 1 245.326 1.296 50 0 BDAAMO CC[C@H]1c2ccsc2CC[N@H+]1CC(N)=O ZINC000009722102 374231065 /nfs/dbraw/zinc/23/10/65/374231065.db2.gz ZOZZANSXXKOURQ-VIFPVBQESA-N 1 1 224.329 1.543 50 0 BDAAMO CC[C@H]1c2ccsc2CC[N@@H+]1CC(N)=O ZINC000009722102 374231073 /nfs/dbraw/zinc/23/10/73/374231073.db2.gz ZOZZANSXXKOURQ-VIFPVBQESA-N 1 1 224.329 1.543 50 0 BDAAMO O=c1oc2ccccc2n1C[NH+]1CCCC1 ZINC000009885652 374254388 /nfs/dbraw/zinc/25/43/88/374254388.db2.gz JMURFBHDYYDBEC-UHFFFAOYSA-N 1 1 218.256 1.648 50 0 BDAAMO O=C1CC[NH+](CCc2ccccc2)CC1 ZINC000000119408 182740636 /nfs/dbraw/zinc/74/06/36/182740636.db2.gz YDJXNYNKKXZBMP-UHFFFAOYSA-N 1 1 203.285 1.894 50 0 in-vitro BDAAMO O=c1ccc2c([nH]1)C[N@H+](Cc1ccccc1)CC2 ZINC000090411699 183001147 /nfs/dbraw/zinc/00/11/47/183001147.db2.gz IAXZYZLBSPZMGH-UHFFFAOYSA-N 1 1 240.306 1.933 50 0 BDAAMO OC1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000000202266 183028223 /nfs/dbraw/zinc/02/82/23/183028223.db2.gz OOHWQQRRJBOFKI-UHFFFAOYSA-N 1 1 227.254 1.922 50 0 BDAAMO OC1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000038539571 183028782 /nfs/dbraw/zinc/02/87/82/183028782.db2.gz WOWKFKRHTWJDBG-UHFFFAOYSA-N 1 1 227.254 1.922 50 0 BDAAMO OCC[N@H+](Cc1ccccc1)CC1CC1 ZINC000049835246 183071132 /nfs/dbraw/zinc/07/11/32/183071132.db2.gz PPSLXZJKVCPLHW-UHFFFAOYSA-N 1 1 205.301 1.891 50 0 BDAAMO OC[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)OCO2 ZINC000000209105 183116319 /nfs/dbraw/zinc/11/63/19/183116319.db2.gz GFONFNSZYRSLMG-LBPRGKRZSA-N 1 1 249.310 1.762 50 0 BDAAMO OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1F ZINC000072267119 183128462 /nfs/dbraw/zinc/12/84/62/183128462.db2.gz VUSIMSUGLBODCD-QWHCGFSZSA-N 1 1 223.291 1.839 50 0 BDAAMO O[C@@H]1CC[N@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000061708857 183200162 /nfs/dbraw/zinc/20/01/62/183200162.db2.gz FQHRNVUXCKTULP-LLVKDONJSA-N 1 1 245.282 1.303 50 0 BDAAMO O[C@@H]1CC[N@@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000061708857 183200164 /nfs/dbraw/zinc/20/01/64/183200164.db2.gz FQHRNVUXCKTULP-LLVKDONJSA-N 1 1 245.282 1.303 50 0 BDAAMO O[C@@]1(c2cccc(Cl)n2)C[NH+]2CCC1CC2 ZINC000039077082 183218242 /nfs/dbraw/zinc/21/82/42/183218242.db2.gz CKLSYZAELUFDEB-LBPRGKRZSA-N 1 1 238.718 1.648 50 0 BDAAMO O[C@H](C[N@@H+]1CCc2ccccc2C1)C(F)(F)F ZINC000036383205 183221415 /nfs/dbraw/zinc/22/14/15/183221415.db2.gz YFOVMDCPOGITOB-LLVKDONJSA-N 1 1 245.244 1.968 50 0 BDAAMO O[C@H](C[N@H+]1CCc2ccccc2C1)C(F)(F)F ZINC000036383205 183221416 /nfs/dbraw/zinc/22/14/16/183221416.db2.gz YFOVMDCPOGITOB-LLVKDONJSA-N 1 1 245.244 1.968 50 0 BDAAMO O[C@H]1[C@H]2CC[C@@H]1[N@@H+](Cc1ccccc1)C2 ZINC000026895500 183249021 /nfs/dbraw/zinc/24/90/21/183249021.db2.gz GRNDIXAFZQOWOE-AVGNSLFASA-N 1 1 203.285 1.642 50 0 BDAAMO CCC[N@@H+](Cc1ncc[nH]1)C[C@H]1CCCO1 ZINC000065407923 169181387 /nfs/dbraw/zinc/18/13/87/169181387.db2.gz UOODUPJJNGLOEG-LLVKDONJSA-N 1 1 223.320 1.801 50 0 BDAAMO CCC[N@H+](Cc1ncc[nH]1)C[C@H]1CCCO1 ZINC000065407923 169181389 /nfs/dbraw/zinc/18/13/89/169181389.db2.gz UOODUPJJNGLOEG-LLVKDONJSA-N 1 1 223.320 1.801 50 0 BDAAMO CCCN1CCC([NH+]2CCSCC2)CC1 ZINC000032590209 169186945 /nfs/dbraw/zinc/18/69/45/169186945.db2.gz PUKRKOTTYIIJOA-UHFFFAOYSA-N 1 1 228.405 1.910 50 0 BDAAMO CCCN1CC[N@@H+](CC(C)C)[C@H](CCO)C1 ZINC000039515299 169202580 /nfs/dbraw/zinc/20/25/80/169202580.db2.gz VQHBOBRKMQPOLE-CYBMUJFWSA-N 1 1 228.380 1.421 50 0 BDAAMO CCC[N@@H+]1CCN(CC(C)C)[C@H](CCO)C1 ZINC000039515299 169202582 /nfs/dbraw/zinc/20/25/82/169202582.db2.gz VQHBOBRKMQPOLE-CYBMUJFWSA-N 1 1 228.380 1.421 50 0 BDAAMO CCC[N@H+]1CCN(CC(C)C)[C@H](CCO)C1 ZINC000039515299 169202583 /nfs/dbraw/zinc/20/25/83/169202583.db2.gz VQHBOBRKMQPOLE-CYBMUJFWSA-N 1 1 228.380 1.421 50 0 BDAAMO CCCNC(=O)C[N@@H+](C)[C@H]1CCC[C@H]1SC ZINC000245289615 169219967 /nfs/dbraw/zinc/21/99/67/169219967.db2.gz DAYPNXYGRUUPEJ-WDEREUQCSA-N 1 1 244.404 1.729 50 0 BDAAMO c1ncn(C[C@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000069621044 183398642 /nfs/dbraw/zinc/39/86/42/183398642.db2.gz NERWBFUPQAYQQH-CYBMUJFWSA-N 1 1 243.314 1.338 50 0 BDAAMO CCCSCC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000067678639 169337661 /nfs/dbraw/zinc/33/76/61/169337661.db2.gz KVTQSCFTOQPAHP-NSHDSACASA-N 1 1 244.404 1.588 50 0 BDAAMO CCC[C@@H](C)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000330031800 169367319 /nfs/dbraw/zinc/36/73/19/169367319.db2.gz DMIRQNCZLNRQOI-NEPJUHHUSA-N 1 1 212.337 1.191 50 0 BDAAMO Cc1nc(Cn2cc[nH+]c2C(C)C)no1 ZINC000070423081 383922817 /nfs/dbraw/zinc/92/28/17/383922817.db2.gz NRUGKKFNEAGUDM-UHFFFAOYSA-N 1 1 206.249 1.746 50 0 BDAAMO Nc1c(-c2ccncc2)[nH+]c2ccccn21 ZINC000036222000 383885477 /nfs/dbraw/zinc/88/54/77/383885477.db2.gz WOOYYFOUNCBKTP-UHFFFAOYSA-N 1 1 210.240 1.979 50 0 BDAAMO C[N@@H+](CCN1CCOC1=O)C[C@@H]1CC=CCC1 ZINC000092043903 384145773 /nfs/dbraw/zinc/14/57/73/384145773.db2.gz MPJHCFCZNMXZPL-GFCCVEGCSA-N 1 1 238.331 1.727 50 0 BDAAMO CCC[C@]1(CO)CCC[N@H+](Cc2ncccn2)C1 ZINC000091997956 384160644 /nfs/dbraw/zinc/16/06/44/384160644.db2.gz NEPOFFUSPHNXHI-AWEZNQCLSA-N 1 1 249.358 1.851 50 0 BDAAMO CCC[C@]1(CO)CCC[N@@H+](Cc2ncccn2)C1 ZINC000091997956 384160650 /nfs/dbraw/zinc/16/06/50/384160650.db2.gz NEPOFFUSPHNXHI-AWEZNQCLSA-N 1 1 249.358 1.851 50 0 BDAAMO CCO[C@H]1CCC[N@@H+](CCOC(=O)N(C)C)C1 ZINC000097373622 384176782 /nfs/dbraw/zinc/17/67/82/384176782.db2.gz AEIYACVPVXLORB-NSHDSACASA-N 1 1 244.335 1.186 50 0 BDAAMO CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1cc[nH]n1 ZINC000097376937 384181527 /nfs/dbraw/zinc/18/15/27/384181527.db2.gz DRJVCHGLQDIMRR-LBPRGKRZSA-N 1 1 222.336 1.182 50 0 BDAAMO CN(C)C[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000041226748 384183576 /nfs/dbraw/zinc/18/35/76/384183576.db2.gz QKZQZLFNHGBKPY-JTQLQIEISA-N 1 1 212.724 1.944 50 0 BDAAMO Cc1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)on1 ZINC000060568041 384186633 /nfs/dbraw/zinc/18/66/33/384186633.db2.gz KLPOECFXQIGEOI-QWRGUYRKSA-N 1 1 249.314 1.340 50 0 BDAAMO c1ccc2c(c1)CCN(C[C@H]1CC[NH2+]C1)C2 ZINC000042783433 384244300 /nfs/dbraw/zinc/24/43/00/384244300.db2.gz ZBFILZDQJHWAFT-LBPRGKRZSA-N 1 1 216.328 1.654 50 0 BDAAMO CN(Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000042783427 384244672 /nfs/dbraw/zinc/24/46/72/384244672.db2.gz OWDUMFUCVYNNMN-ZDUSSCGKSA-N 1 1 204.317 1.728 50 0 BDAAMO c1ccc2[nH+]c(NCCN3CCOCC3)[nH]c2c1 ZINC000012407316 384319206 /nfs/dbraw/zinc/31/92/06/384319206.db2.gz XJUIYNGXCRSPFR-UHFFFAOYSA-N 1 1 246.314 1.307 50 0 BDAAMO COC(=O)[C@H](C)SCC[C@@H]1CCC[N@H+]1C ZINC000097102248 384359794 /nfs/dbraw/zinc/35/97/94/384359794.db2.gz FYZRCKFLMSGIGQ-UWVGGRQHSA-N 1 1 231.361 1.765 50 0 BDAAMO CCCc1noc(C[NH2+][C@@H](C)[C@@H]2CCCO2)n1 ZINC000097111652 384374431 /nfs/dbraw/zinc/37/44/31/384374431.db2.gz FEQWWZNJTGCPAW-UWVGGRQHSA-N 1 1 239.319 1.679 50 0 BDAAMO Cc1n[nH]c(C)c1C[N@H+]1CCCSCC1 ZINC000097113634 384370055 /nfs/dbraw/zinc/37/00/55/384370055.db2.gz ZFVQXSHJGNXRGS-UHFFFAOYSA-N 1 1 225.361 1.965 50 0 BDAAMO Cc1cccc(N2CCC[C@@H]([C@@H](C)O)C2)[nH+]1 ZINC000097096538 384333728 /nfs/dbraw/zinc/33/37/28/384333728.db2.gz WCSGBYJOVHXAQY-VXGBXAGGSA-N 1 1 220.316 1.987 50 0 BDAAMO Nc1n[nH]c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000096029593 384421780 /nfs/dbraw/zinc/42/17/80/384421780.db2.gz KBXMKQKGUGKZRA-UHFFFAOYSA-N 1 1 228.299 1.550 50 0 BDAAMO Nc1n[nH]c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000096029593 384421783 /nfs/dbraw/zinc/42/17/83/384421783.db2.gz KBXMKQKGUGKZRA-UHFFFAOYSA-N 1 1 228.299 1.550 50 0 BDAAMO C[N@@H+](Cc1cn2ccsc2n1)CC(C)(C)O ZINC000071908307 384676733 /nfs/dbraw/zinc/67/67/33/384676733.db2.gz YSZFRKPSKNMOMK-UHFFFAOYSA-N 1 1 239.344 1.599 50 0 BDAAMO COC(C[N@@H+](C)Cc1cccc(F)c1)OC ZINC000085351256 384770174 /nfs/dbraw/zinc/77/01/74/384770174.db2.gz UCOKFASKXHAFBJ-UHFFFAOYSA-N 1 1 227.279 1.876 50 0 BDAAMO Cc1[nH+]ccn1[C@@H](C)C(=O)N(C)Cc1ccon1 ZINC000426442913 384807403 /nfs/dbraw/zinc/80/74/03/384807403.db2.gz KXWLVUMVCRLEKP-VIFPVBQESA-N 1 1 248.286 1.399 50 0 BDAAMO CO[C@H]1C[N@@H+](Cc2cncnc2)CC[C@H]1C ZINC000188297627 384886540 /nfs/dbraw/zinc/88/65/40/384886540.db2.gz JDULLGWROWRSSQ-PWSUYJOCSA-N 1 1 221.304 1.333 50 0 BDAAMO C[NH+]1CCN(c2cc(Cl)nc(Cl)n2)CC1 ZINC000086014506 384980462 /nfs/dbraw/zinc/98/04/62/384980462.db2.gz WMLOWDFRQIVNAB-UHFFFAOYSA-N 1 1 247.129 1.535 50 0 BDAAMO CC[C@H]1CCCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000059384443 385045807 /nfs/dbraw/zinc/04/58/07/385045807.db2.gz CUPLIXNZYXWLEY-STQMWFEESA-N 1 1 237.347 1.509 50 0 BDAAMO CC(C)c1[nH+]ccn1CC1(O)CCOCC1 ZINC000151896928 385138119 /nfs/dbraw/zinc/13/81/19/385138119.db2.gz FXJDZGMQBMGNAG-UHFFFAOYSA-N 1 1 224.304 1.548 50 0 BDAAMO Cn1nc2c(cc1=O)C[N@H+](CC1CCCC1)CC2 ZINC000072302345 385181712 /nfs/dbraw/zinc/18/17/12/385181712.db2.gz YCYAWYQUEQGXNV-UHFFFAOYSA-N 1 1 247.342 1.329 50 0 BDAAMO COc1cc(C)ccc1[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000065425481 385308845 /nfs/dbraw/zinc/30/88/45/385308845.db2.gz RVWMULJOSBHFAZ-ZDUSSCGKSA-N 1 1 243.310 1.962 50 0 BDAAMO CCOC(=O)[C@](C)([NH3+])Cc1ccccc1 ZINC000034171640 385273072 /nfs/dbraw/zinc/27/30/72/385273072.db2.gz XKINIYKYOMQSRO-GFCCVEGCSA-N 1 1 207.273 1.510 50 0 biogenic BDAAMO C[C@H](O)C[N@@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC000130789176 385284137 /nfs/dbraw/zinc/28/41/37/385284137.db2.gz CYWJKBBZNNWCEE-LBPRGKRZSA-N 1 1 249.358 1.494 50 0 BDAAMO CC(C)CC[N@@H+]1CCc2nncn2CC1 ZINC000012040740 385530723 /nfs/dbraw/zinc/53/07/23/385530723.db2.gz HUBMSKXPIXIBMK-UHFFFAOYSA-N 1 1 208.309 1.182 50 0 BDAAMO Cc1n[nH]cc1C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000271806305 385850614 /nfs/dbraw/zinc/85/06/14/385850614.db2.gz MFROUWZWCQCZBG-LBPRGKRZSA-N 1 1 245.330 1.693 50 0 BDAAMO COc1cc(C[NH+]2CC(C)C2)cc2c1OCCO2 ZINC000225511380 386199410 /nfs/dbraw/zinc/19/94/10/386199410.db2.gz XZDJEMBYSMUNJF-UHFFFAOYSA-N 1 1 249.310 1.918 50 0 BDAAMO CC[N@@H+](CC(N)=O)[C@H](C)c1ccc(F)cc1 ZINC000053087783 386372122 /nfs/dbraw/zinc/37/21/22/386372122.db2.gz DLQXTWRSBHLYHM-SECBINFHSA-N 1 1 224.279 1.694 50 0 BDAAMO c1nncn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000065385552 388260663 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ZINC000049283697 969173343 /nfs/dbraw/zinc/17/33/43/969173343.db2.gz GGHOBJNGMLKCCC-NSHDSACASA-N 1 1 248.330 1.686 50 0 BDAAMO Cc1nsc(OC[C@H]2CCC[N@@H+]2C)n1 ZINC000585652771 973918193 /nfs/dbraw/zinc/91/81/93/973918193.db2.gz VYSAGUQMRQWAET-MRVPVSSYSA-N 1 1 213.306 1.320 50 0 BDAAMO CN(CC[N@@H+](C)C1CCCC1)Cc1cncnc1 ZINC001506415355 988779367 /nfs/dbraw/zinc/77/93/67/988779367.db2.gz NBDLNTFDFSXVBX-UHFFFAOYSA-N 1 1 248.374 1.783 50 0 BDAAMO C[N@@H+]1C[C@@H](Cc2ccnc3ccccc23)[C@H](O)C1 ZINC001529119097 990330039 /nfs/dbraw/zinc/33/00/39/990330039.db2.gz BMYJLYUZAPAUMO-IUODEOHRSA-N 1 1 242.322 1.700 50 0 BDAAMO Cc1cccc(CC[N@H+](C)C[C@@H]2CCOC2)n1 ZINC000564895114 398194275 /nfs/dbraw/zinc/19/42/75/398194275.db2.gz AGDYXNLLJBTWCZ-ZDUSSCGKSA-N 1 1 234.343 1.901 50 0 BDAAMO Cc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)no1 ZINC000004968577 178130611 /nfs/dbraw/zinc/13/06/11/178130611.db2.gz VUYAXVFCBIIKBL-SECBINFHSA-N 1 1 237.303 1.796 50 0 BDAAMO Cc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)no1 ZINC000004968577 178130615 /nfs/dbraw/zinc/13/06/15/178130615.db2.gz VUYAXVFCBIIKBL-SECBINFHSA-N 1 1 237.303 1.796 50 0 BDAAMO Cc1cc(NCC[NH3+])nc(-c2ccccc2O)n1 ZINC000002307123 178161321 /nfs/dbraw/zinc/16/13/21/178161321.db2.gz ZAGIJQBZAGMVDG-UHFFFAOYSA-N 1 1 244.298 1.528 50 0 BDAAMO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCSC(C)(C)C ZINC000252500269 187330295 /nfs/dbraw/zinc/33/02/95/187330295.db2.gz SQQJLJBAMHESMN-MNOVXSKESA-N 1 1 247.404 1.600 50 0 BDAAMO C[C@@H]1CO[C@H](CO)C[N@H+]1CCSC(C)(C)C ZINC000252500269 187330296 /nfs/dbraw/zinc/33/02/96/187330296.db2.gz SQQJLJBAMHESMN-MNOVXSKESA-N 1 1 247.404 1.600 50 0 BDAAMO CC(C)[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000000115761 342674952 /nfs/dbraw/zinc/67/49/52/342674952.db2.gz TXMGOTFVRYHLEO-UHFFFAOYSA-N 1 1 222.288 1.446 50 0 BDAAMO Cn1ccnc1[C@H]([NH3+])c1cccc(F)c1 ZINC000003888568 342739095 /nfs/dbraw/zinc/73/90/95/342739095.db2.gz MJRFADGYJSKDSG-SNVBAGLBSA-N 1 1 205.236 1.607 50 0 BDAAMO CCOCCC(=O)N(C)C[C@H]1CCCC[N@H+]1C ZINC000584899518 342776892 /nfs/dbraw/zinc/77/68/92/342776892.db2.gz YANGHHALWIVPMF-GFCCVEGCSA-N 1 1 242.363 1.356 50 0 BDAAMO O=S1(=O)CC[C@H]([NH2+]Cc2ccccc2F)C1 ZINC000006559586 342779422 /nfs/dbraw/zinc/77/94/22/342779422.db2.gz INXWCIPPADGGFT-JTQLQIEISA-N 1 1 243.303 1.102 50 0 BDAAMO Cc1nc[nH]c1C[NH+]1CCC(c2ncon2)CC1 ZINC000216056301 398285449 /nfs/dbraw/zinc/28/54/49/398285449.db2.gz TWRIJJRAJIQEMK-UHFFFAOYSA-N 1 1 247.302 1.481 50 0 BDAAMO COC[C@H](O)C[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000106853888 398286143 /nfs/dbraw/zinc/28/61/43/398286143.db2.gz PCGANPZUXZHYLQ-QWHCGFSZSA-N 1 1 229.364 1.752 50 0 BDAAMO c1ncn(C[C@@H]2CCC[N@H+]2CC2CCCC2)n1 ZINC000069490119 398330320 /nfs/dbraw/zinc/33/03/20/398330320.db2.gz YCWWKBIVZRJXJT-ZDUSSCGKSA-N 1 1 234.347 1.933 50 0 BDAAMO COc1c[nH+]cc(Br)c1N ZINC000214416242 349710766 /nfs/dbraw/zinc/71/07/66/349710766.db2.gz ZZLHBCFKRHYIRX-UHFFFAOYSA-N 1 1 203.039 1.435 50 0 BDAAMO CC[C@@H](O)C[N@@H+](C)CCc1ccncc1 ZINC000048260740 343055901 /nfs/dbraw/zinc/05/59/01/343055901.db2.gz 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214.062 1.591 50 0 in-vitro BDAAMO C/C(=C/c1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC000057211839 187272828 /nfs/dbraw/zinc/27/28/28/187272828.db2.gz CYYFSPVUSUGJGX-SEYXRHQNSA-N 1 1 244.338 1.864 50 0 BDAAMO C/C=C/CC(=O)NCC[C@@H]1C[N@@H+](CC)CCO1 ZINC000067921043 187274635 /nfs/dbraw/zinc/27/46/35/187274635.db2.gz CSPKIUHWHKFKRA-OGOUPESXSA-N 1 1 240.347 1.180 50 0 BDAAMO CC(C)(O)CCc1ccc(C[NH+]2CC(O)C2)cc1 ZINC000072407524 187276150 /nfs/dbraw/zinc/27/61/50/187276150.db2.gz OWVUCKWZUPMRAI-UHFFFAOYSA-N 1 1 249.354 1.567 50 0 BDAAMO CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1c1ccccc1 ZINC000091435360 344281261 /nfs/dbraw/zinc/28/12/61/344281261.db2.gz QTMVPAFAFSUMRR-GFCCVEGCSA-N 1 1 232.327 1.597 50 0 BDAAMO CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1cncs1 ZINC000097059000 187290195 /nfs/dbraw/zinc/29/01/95/187290195.db2.gz VINOAIUGGGKELU-LBPRGKRZSA-N 1 1 239.388 1.915 50 0 BDAAMO CC(C)[C@@H]1CN(C)CC[N@@H+]1Cc1cncs1 ZINC000097059000 187290200 /nfs/dbraw/zinc/29/02/00/187290200.db2.gz VINOAIUGGGKELU-LBPRGKRZSA-N 1 1 239.388 1.915 50 0 BDAAMO CC(C)[C@@H]1CN(C)CC[N@H+]1Cc1cncs1 ZINC000097059000 187290201 /nfs/dbraw/zinc/29/02/01/187290201.db2.gz VINOAIUGGGKELU-LBPRGKRZSA-N 1 1 239.388 1.915 50 0 BDAAMO CC1(C)C[N@H+](Cc2ncccn2)CC[C@]1(C)O ZINC000091794206 344285032 /nfs/dbraw/zinc/28/50/32/344285032.db2.gz YBLRIWUFGSGUTR-ZDUSSCGKSA-N 1 1 235.331 1.460 50 0 BDAAMO CC1(C)C[N@@H+](Cc2ncccn2)CC[C@]1(C)O ZINC000091794206 344285036 /nfs/dbraw/zinc/28/50/36/344285036.db2.gz YBLRIWUFGSGUTR-ZDUSSCGKSA-N 1 1 235.331 1.460 50 0 BDAAMO CCS(=O)(=O)CC[N@H+]1C[C@H](C)CC[C@H]1C ZINC000247686532 344382065 /nfs/dbraw/zinc/38/20/65/344382065.db2.gz VBTIMLISJQLTOI-GHMZBOCLSA-N 1 1 233.377 1.542 50 0 BDAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccn[nH]1 ZINC000248114162 345045163 /nfs/dbraw/zinc/04/51/63/345045163.db2.gz ICQWVDOCPJTOEV-VXGBXAGGSA-N 1 1 248.330 1.109 50 0 BDAAMO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cc[nH]n1 ZINC000248114162 345045164 /nfs/dbraw/zinc/04/51/64/345045164.db2.gz ICQWVDOCPJTOEV-VXGBXAGGSA-N 1 1 248.330 1.109 50 0 BDAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cc[nH]n1 ZINC000248114162 345045165 /nfs/dbraw/zinc/04/51/65/345045165.db2.gz ICQWVDOCPJTOEV-VXGBXAGGSA-N 1 1 248.330 1.109 50 0 BDAAMO Cc1c(CN2CC[N@H+]3CCCC[C@@H]3C2)cnn1C ZINC000215025078 187318941 /nfs/dbraw/zinc/31/89/41/187318941.db2.gz RJJWRYWZCYGATG-CQSZACIVSA-N 1 1 248.374 1.399 50 0 BDAAMO Cc1cccc(NC(=O)CN2CC[NH+](C)CC2)c1 ZINC000020386933 179127755 /nfs/dbraw/zinc/12/77/55/179127755.db2.gz GEOJAFXFFOJGAW-UHFFFAOYSA-N 1 1 247.342 1.181 50 0 BDAAMO Cc1cccc(OCC[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000032751345 179166259 /nfs/dbraw/zinc/16/62/59/179166259.db2.gz SHUTUWYJUGFSTB-CYBMUJFWSA-N 1 1 248.326 1.324 50 0 BDAAMO Cc1[nH+]ccn1C[C@@H](O)COc1cccc(C)c1 ZINC000000177607 179172396 /nfs/dbraw/zinc/17/23/96/179172396.db2.gz VQPWOYBOPXVVDI-CYBMUJFWSA-N 1 1 246.310 1.940 50 0 BDAAMO Cc1ccccc1C[N@@H+](C[C@@H](C)O)C[C@H](C)O ZINC000000757379 179271177 /nfs/dbraw/zinc/27/11/77/179271177.db2.gz QNGJVVICQYFMCY-BETUJISGSA-N 1 1 237.343 1.559 50 0 BDAAMO C[N@@H+](CCn1cccn1)Cc1ccc(O)cc1 ZINC000195575866 347648725 /nfs/dbraw/zinc/64/87/25/347648725.db2.gz QZUXIIFJVWQGKK-UHFFFAOYSA-N 1 1 231.299 1.721 50 0 BDAAMO Cc1ccccc1C[N@@H+](C)CCC(N)=O ZINC000016374693 179268494 /nfs/dbraw/zinc/26/84/94/179268494.db2.gz OHWRNBPCFWYNSI-UHFFFAOYSA-N 1 1 206.289 1.302 50 0 BDAAMO Cc1ccccc1C[N@H+](C)[C@@H](C)C(N)=O ZINC000007680794 179269913 /nfs/dbraw/zinc/26/99/13/179269913.db2.gz PKYFCFSMLQNUBO-JTQLQIEISA-N 1 1 206.289 1.301 50 0 BDAAMO Cc1ccccc1C[NH2+]CCNC[C@@H](C)O ZINC000019370644 179280793 /nfs/dbraw/zinc/28/07/93/179280793.db2.gz RLUFZJLXNCTARB-GFCCVEGCSA-N 1 1 222.332 1.055 50 0 BDAAMO CSCCC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421702323 192373994 /nfs/dbraw/zinc/37/39/94/192373994.db2.gz JUXIYMPFJVOVFF-SNVBAGLBSA-N 1 1 230.377 1.292 50 0 BDAAMO CC[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000000796956 350097665 /nfs/dbraw/zinc/09/76/65/350097665.db2.gz JHUXHRVLHWUMQM-UHFFFAOYSA-N 1 1 236.290 1.603 50 0 BDAAMO Cc1[nH+]ccn1CC(=O)N(C)C1CCCCC1 ZINC000175530589 180230632 /nfs/dbraw/zinc/23/06/32/180230632.db2.gz CZHJNOMVNBVWDB-UHFFFAOYSA-N 1 1 235.331 1.983 50 0 BDAAMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1cnccn1 ZINC000170615799 180264366 /nfs/dbraw/zinc/26/43/66/180264366.db2.gz MQYWKMWPNDBHJH-LBPRGKRZSA-N 1 1 243.314 1.651 50 0 BDAAMO Cc1[nH+]ccn1Cc1ccccc1-n1cnnc1 ZINC000065504254 180269064 /nfs/dbraw/zinc/26/90/64/180269064.db2.gz IDMGIRJVGUNSHN-UHFFFAOYSA-N 1 1 239.282 1.821 50 0 BDAAMO Cc1nn(C)c(C)c1C[N@@H+](C)[C@H]1CCSC1 ZINC000096485537 180338998 /nfs/dbraw/zinc/33/89/98/180338998.db2.gz XVJYYKITWGGLEN-NSHDSACASA-N 1 1 239.388 1.974 50 0 BDAAMO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1nccn1C ZINC000341699275 180383611 /nfs/dbraw/zinc/38/36/11/180383611.db2.gz YIRPHXHNAMUKJK-ONGXEEELSA-N 1 1 247.346 1.874 50 0 BDAAMO CN(CCC[N@@H+](C)CCCO)c1ccccc1 ZINC000574984851 353491763 /nfs/dbraw/zinc/49/17/63/353491763.db2.gz CUIIFWWWOCNLKK-UHFFFAOYSA-N 1 1 236.359 1.827 50 0 BDAAMO CC[N@@H+]1CCCC[C@H]1CNCc1cnc(C)nc1 ZINC000344340147 354236434 /nfs/dbraw/zinc/23/64/34/354236434.db2.gz KZBJJFCSMVTZMT-AWEZNQCLSA-N 1 1 248.374 1.749 50 0 BDAAMO CC[N@H+]1CCCC[C@H]1CNCc1cnc(C)nc1 ZINC000344340147 354236435 /nfs/dbraw/zinc/23/64/35/354236435.db2.gz KZBJJFCSMVTZMT-AWEZNQCLSA-N 1 1 248.374 1.749 50 0 BDAAMO NC(=[NH2+])CCN1CCN(Cc2ccccc2)CC1 ZINC000019423262 181187013 /nfs/dbraw/zinc/18/70/13/181187013.db2.gz TWJWHOUKYDISQR-UHFFFAOYSA-N 1 1 246.358 1.130 50 0 BDAAMO NC(=[NH2+])NC[C@H]1CCCCN1Cc1ccccc1 ZINC000069709899 181190033 /nfs/dbraw/zinc/19/00/33/181190033.db2.gz FHLGXFQFRDZHKY-CYBMUJFWSA-N 1 1 246.358 1.524 50 0 BDAAMO NC(=[NH2+])NCCc1nc2ccc(Cl)cc2[nH]1 ZINC000021984689 181190374 /nfs/dbraw/zinc/19/03/74/181190374.db2.gz XEIKARCLHXMPCP-UHFFFAOYSA-N 1 1 237.694 1.242 50 0 BDAAMO CC[C@@H](C)NC(=S)NC[C@@H]1CCC[N@H+]1CC ZINC000035185069 355875705 /nfs/dbraw/zinc/87/57/05/355875705.db2.gz BZQMEGHEMKZQNH-MNOVXSKESA-N 1 1 243.420 1.733 50 0 BDAAMO 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CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC2)[C@@H](C)C1 ZINC000245498764 541397283 /nfs/dbraw/zinc/39/72/83/541397283.db2.gz WWCIIVSDMPWKPD-JQWIXIFHSA-N 1 1 239.363 1.521 50 0 BDAAMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1O ZINC000114482420 368387389 /nfs/dbraw/zinc/38/73/89/368387389.db2.gz QRGQXVUZVXXWAG-DGCLKSJQSA-N 1 1 205.301 1.889 50 0 BDAAMO C[N@H+](C[C@@H]1CCCO1)[C@H]1CCCC[C@H]1[NH3+] ZINC000250448908 369527203 /nfs/dbraw/zinc/52/72/03/369527203.db2.gz VEMLLQAIJFCAAS-TUAOUCFPSA-N 1 1 212.337 1.367 50 0 BDAAMO C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCCC[C@H]1[NH3+] ZINC000250448908 369527205 /nfs/dbraw/zinc/52/72/05/369527205.db2.gz VEMLLQAIJFCAAS-TUAOUCFPSA-N 1 1 212.337 1.367 50 0 BDAAMO N[C@H](C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000019821260 371192093 /nfs/dbraw/zinc/19/20/93/371192093.db2.gz YQZODDBPSPWKIQ-GFCCVEGCSA-N 1 1 208.280 1.921 50 0 BDAAMO OC[C@H]1CCC[N@H+]1Cc1nc2c(s1)CCC2 ZINC000132487343 371836986 /nfs/dbraw/zinc/83/69/86/371836986.db2.gz HCENAOXIJPVTMZ-SECBINFHSA-N 1 1 238.356 1.589 50 0 BDAAMO 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ZINC000054979086 175106404 /nfs/dbraw/zinc/10/64/04/175106404.db2.gz UKAUMPOVXIWSMV-UHFFFAOYSA-N 1 1 222.332 1.737 50 0 BDAAMO COc1cccc([C@H]2CCC[N@@H+]2CC(N)=O)c1 ZINC000010225765 175295567 /nfs/dbraw/zinc/29/55/67/175295567.db2.gz QDGJOJKHNUCVMO-GFCCVEGCSA-N 1 1 234.299 1.317 50 0 BDAAMO COc1cccc([C@H]2CCC[N@H+]2CC(N)=O)c1 ZINC000010225765 175295568 /nfs/dbraw/zinc/29/55/68/175295568.db2.gz QDGJOJKHNUCVMO-GFCCVEGCSA-N 1 1 234.299 1.317 50 0 BDAAMO C[C@@H]([NH2+]Cc1noc(C2CC2)n1)[C@H]1CCOC1 ZINC000097096457 175908708 /nfs/dbraw/zinc/90/87/08/175908708.db2.gz UZLLZSAGLDWAPH-SCZZXKLOSA-N 1 1 237.303 1.462 50 0 BDAAMO C[C@@H]1CCC[C@H]([NH2+]C[C@@](C)(O)CN(C)C)[C@@H]1C ZINC000221771648 176144589 /nfs/dbraw/zinc/14/45/89/176144589.db2.gz KVNDNPJAAZSNJB-YIYPIFLZSA-N 1 1 242.407 1.713 50 0 BDAAMO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCc1ccccn1 ZINC000036907787 176278581 /nfs/dbraw/zinc/27/85/81/176278581.db2.gz LXSCDXAHRNDHAW-UMVBOHGHSA-N 1 1 247.386 1.942 50 0 BDAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000096300726 176306433 /nfs/dbraw/zinc/30/64/33/176306433.db2.gz MQIQTRXCBIVWTN-YPMHNXCESA-N 1 1 205.301 1.747 50 0 BDAAMO C[C@H](c1cccc(Cl)c1)[N@H+](C)CC(N)=O ZINC000052162272 177035692 /nfs/dbraw/zinc/03/56/92/177035692.db2.gz QEWSSSCYRHMXHX-MRVPVSSYSA-N 1 1 226.707 1.818 50 0 BDAAMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC(N)=O ZINC000052162272 177035694 /nfs/dbraw/zinc/03/56/94/177035694.db2.gz QEWSSSCYRHMXHX-MRVPVSSYSA-N 1 1 226.707 1.818 50 0 BDAAMO C[C@@H]1CC[C@H]([NH2+]C[C@@](C)(O)CN(C)C)C[C@@H]1C ZINC000221857375 177332458 /nfs/dbraw/zinc/33/24/58/177332458.db2.gz AOCAKCXXIXRELJ-ZOBORPQBSA-N 1 1 242.407 1.713 50 0 BDAAMO C[C@H]1C[C@H](C)C[NH+](Cc2nnnn2C2CC2)C1 ZINC000044069972 177358837 /nfs/dbraw/zinc/35/88/37/177358837.db2.gz SQDGQBOCNMMXTL-UWVGGRQHSA-N 1 1 235.335 1.486 50 0 BDAAMO Cc1noc([C@H](C)[NH+]2CCC(CO)CC2)n1 ZINC000046090594 487876221 /nfs/dbraw/zinc/87/62/21/487876221.db2.gz DGAGKURMOVSVPA-QMMMGPOBSA-N 1 1 225.292 1.143 50 0 BDAAMO CSCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000534581819 323154031 /nfs/dbraw/zinc/15/40/31/323154031.db2.gz UXZQAOIBKOSSRV-JTQLQIEISA-N 1 1 244.404 1.586 50 0 BDAAMO COCC(C)(C)NC(=O)C[N@H+]1C[C@@H]2CC[C@H]1C2 ZINC000534590642 323154501 /nfs/dbraw/zinc/15/45/01/323154501.db2.gz HYTJPYPMGPGIHN-MNOVXSKESA-N 1 1 240.347 1.012 50 0 BDAAMO Cc1cccc(N2CCN(C(=O)C3CC3)CC2)[nH+]1 ZINC000547465056 325358942 /nfs/dbraw/zinc/35/89/42/325358942.db2.gz VOYRKQJIDIQJOY-UHFFFAOYSA-N 1 1 245.326 1.449 50 0 BDAAMO CC[N@@H+](C)CC(=O)N[C@H](C)CCC(C)C ZINC000084760810 488092473 /nfs/dbraw/zinc/09/24/73/488092473.db2.gz BAKVALRHWRBISA-LLVKDONJSA-N 1 1 214.353 1.879 50 0 BDAAMO CC/C(C)=C/CC[N@H+]1CC[C@H](O)[C@H](O)C1 ZINC000670444598 487492634 /nfs/dbraw/zinc/49/26/34/487492634.db2.gz OTDKOUCOMXOPIC-RGEGJOEESA-N 1 1 213.321 1.160 50 0 BDAAMO C[N@@H+](Cc1cc(C2CC2)n[nH]1)CC1(CO)CCC1 ZINC000670454582 487508962 /nfs/dbraw/zinc/50/89/62/487508962.db2.gz MBYWADWTGIEEJL-UHFFFAOYSA-N 1 1 249.358 1.882 50 0 BDAAMO CC[N@@H+](C)[C@@H](C)C(=O)NCCC1(O)CCCC1 ZINC000670465589 487519391 /nfs/dbraw/zinc/51/93/91/487519391.db2.gz SBTFPMJPAGHCSB-NSHDSACASA-N 1 1 242.363 1.138 50 0 BDAAMO CC(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccn[nH]1 ZINC000165417600 519828692 /nfs/dbraw/zinc/82/86/92/519828692.db2.gz MGEIJAZYBINLAJ-ZYHUDNBSSA-N 1 1 223.320 1.560 50 0 BDAAMO CCCC[C@@H](C(=O)OC)[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000388232259 520982996 /nfs/dbraw/zinc/98/29/96/520982996.db2.gz SEMILKGADUGKNI-WDEREUQCSA-N 1 1 243.347 1.421 50 0 BDAAMO CC[C@H](O)C[NH+]1CC(OC)(c2ccccc2)C1 ZINC000253417213 522812401 /nfs/dbraw/zinc/81/24/01/522812401.db2.gz JVSPVVJHWVVJNZ-ZDUSSCGKSA-N 1 1 235.327 1.615 50 0 BDAAMO CCn1cc(CC[N@H+]2CCOCC3(CC3)C2)cn1 ZINC000253416878 523363131 /nfs/dbraw/zinc/36/31/31/523363131.db2.gz HDSDRBFLQWEHRK-UHFFFAOYSA-N 1 1 249.358 1.558 50 0 BDAAMO Cn1ccnc1CN(C[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000244795834 527429441 /nfs/dbraw/zinc/42/94/41/527429441.db2.gz ROJZHKPHVZPZRF-ZDUSSCGKSA-N 1 1 248.374 1.479 50 0 BDAAMO COc1ccc(N2CC[NH2+][C@@H](C)C2=O)cc1 ZINC000016944529 536705192 /nfs/dbraw/zinc/70/51/92/536705192.db2.gz JMYGBMQWPVOOHE-VIFPVBQESA-N 1 1 220.272 1.020 50 0 BDAAMO CCC[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000075011760 537926656 /nfs/dbraw/zinc/92/66/56/537926656.db2.gz UTBIAVQUCWIUAP-GHMZBOCLSA-N 1 1 210.321 1.339 50 0 BDAAMO Cc1ccc2n[nH]cc2c1[C@H]1NCCC[C@@H]1[NH3+] ZINC000757213061 582560686 /nfs/dbraw/zinc/56/06/86/582560686.db2.gz NPBPLGPEEMOYOP-GWCFXTLKSA-N 1 1 230.315 1.623 50 0 BDAAMO CC[N@H+]1CCC[C@@](O)(CNCc2ccccn2)C1 ZINC000046087892 583151149 /nfs/dbraw/zinc/15/11/49/583151149.db2.gz ZHGARTLEEXHEKU-CQSZACIVSA-N 1 1 249.358 1.018 50 0 BDAAMO C=CC(=O)N1CCN(c2cccc(C)[nH+]2)C[C@@H]1C ZINC000888102207 583182731 /nfs/dbraw/zinc/18/27/31/583182731.db2.gz HIYVIQOAELEEPO-LBPRGKRZSA-N 1 1 245.326 1.613 50 0 BDAAMO C=CC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000791330987 583402208 /nfs/dbraw/zinc/40/22/08/583402208.db2.gz ABCLCBBRDBPFOD-UHFFFAOYSA-N 1 1 236.340 1.408 50 0 BDAAMO C=CC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000791330987 583402210 /nfs/dbraw/zinc/40/22/10/583402210.db2.gz ABCLCBBRDBPFOD-UHFFFAOYSA-N 1 1 236.340 1.408 50 0 BDAAMO C[C@@H]([NH3+])C1CCN(Cc2cncc(F)c2)CC1 ZINC000231425642 641172517 /nfs/dbraw/zinc/17/25/17/641172517.db2.gz LDXPNXYSUJXGSV-SNVBAGLBSA-N 1 1 237.322 1.780 50 0 BDAAMO C[C@@H]1CCC[N@H+]([C@@H]2CN3CCC2CC3)C1 ZINC000022455856 642468689 /nfs/dbraw/zinc/46/86/89/642468689.db2.gz MDRYBUFXERNVDE-DGCLKSJQSA-N 1 1 208.349 1.813 50 0 BDAAMO O=C1CC[N@H+](C2CCCC2)CCN1CC1CC1 ZINC000014989913 642885967 /nfs/dbraw/zinc/88/59/67/642885967.db2.gz QWFNZYVFVWCGCV-UHFFFAOYSA-N 1 1 236.359 1.873 50 0 BDAAMO c1cn(CC[N@H+]2CCc3ccccc3C2)nn1 ZINC000952993194 644451276 /nfs/dbraw/zinc/45/12/76/644451276.db2.gz DBQMSYKKOPLYBY-UHFFFAOYSA-N 1 1 228.299 1.336 50 0 BDAAMO C[N@H+]1CCC[C@@H]1COc1ncccc1F ZINC000585654304 961150163 /nfs/dbraw/zinc/15/01/63/961150163.db2.gz QNQAKPWLDFEXJD-SECBINFHSA-N 1 1 210.252 1.694 50 0 BDAAMO Cc1ccc(OC[C@@H]2CCC[N@@H+]2C)nc1 ZINC000585655130 973926114 /nfs/dbraw/zinc/92/61/14/973926114.db2.gz SWLSMTJBGKRQOX-NSHDSACASA-N 1 1 206.289 1.863 50 0 BDAAMO CCN(CCOC)C(=O)[C@@H]1CCCCC[N@H+]1C ZINC000952868639 974050329 /nfs/dbraw/zinc/05/03/29/974050329.db2.gz FPTWCDKWLRVKRC-LBPRGKRZSA-N 1 1 242.363 1.356 50 0 BDAAMO NC(=O)[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC000585117679 972150111 /nfs/dbraw/zinc/15/01/11/972150111.db2.gz REQLPQVJQGBRLK-XQHKEYJVSA-N 1 1 234.343 1.396 50 0 BDAAMO C[N@H+]1CC[C@@H](Oc2ccc(C3CC3)nn2)C1 ZINC000585651516 959542027 /nfs/dbraw/zinc/54/20/27/959542027.db2.gz DRVJBKSDARAUCC-SNVBAGLBSA-N 1 1 219.288 1.437 50 0 BDAAMO CC(C)[C@@H]1CCC[N@@H+](CCn2cnnc2)C1 ZINC000820759407 968481973 /nfs/dbraw/zinc/48/19/73/968481973.db2.gz GSZVEVIFTRZJNK-GFCCVEGCSA-N 1 1 222.336 1.646 50 0 BDAAMO CC[N@H+]1CCCC[C@H]1CNc1nccc(N)n1 ZINC000823113253 968539451 /nfs/dbraw/zinc/53/94/51/968539451.db2.gz ZALAPQRVXCVXAO-JTQLQIEISA-N 1 1 235.335 1.345 50 0 BDAAMO Cc1nc(CC[N@H+](C)Cc2cccnc2N)no1 ZINC000823714991 968556969 /nfs/dbraw/zinc/55/69/69/968556969.db2.gz CTERMKLLYAEAAE-UHFFFAOYSA-N 1 1 247.302 1.030 50 0 BDAAMO CNC(=O)[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000823813496 968558582 /nfs/dbraw/zinc/55/85/82/968558582.db2.gz KXEOZQJHSVQDQE-LLVKDONJSA-N 1 1 206.289 1.344 50 0 BDAAMO Cc1nccc(OC[C@@H]2CCC[N@@H+]2C)n1 ZINC000585652790 973923431 /nfs/dbraw/zinc/92/34/31/973923431.db2.gz WQUBUWINRGMFEG-JTQLQIEISA-N 1 1 207.277 1.258 50 0 BDAAMO Cc1nncn1CC[N@H+](C)Cc1cccc(O)c1 ZINC001506410512 988778796 /nfs/dbraw/zinc/77/87/96/988778796.db2.gz UKXOOGSEQFQBAI-UHFFFAOYSA-N 1 1 246.314 1.424 50 0 BDAAMO CCn1cc(C[N@@H+](C)CCn2nccc2C)cn1 ZINC001506414175 988780930 /nfs/dbraw/zinc/78/09/30/988780930.db2.gz PBQULTUMELPDDL-UHFFFAOYSA-N 1 1 247.346 1.540 50 0 BDAAMO COCc1nc(C[NH2+]C2CCSCC2)no1 ZINC000065406645 136210711 /nfs/dbraw/zinc/21/07/11/136210711.db2.gz JZEULOWQBLKICS-UHFFFAOYSA-N 1 1 243.332 1.201 50 0 BDAAMO Cc1cc(N(C)C)cc([C@H]2CCC[NH2+]C2)n1 ZINC000072343655 178094420 /nfs/dbraw/zinc/09/44/20/178094420.db2.gz XCXMCUQQPBDZLV-NSHDSACASA-N 1 1 219.332 1.923 50 0 BDAAMO Cc1cc(NCCc2[nH+]ccn2C)ncn1 ZINC000040727446 178162865 /nfs/dbraw/zinc/16/28/65/178162865.db2.gz CNYYTSGMUDSLDE-UHFFFAOYSA-N 1 1 217.276 1.173 50 0 BDAAMO CC/C=C(\C)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000097086660 398222179 /nfs/dbraw/zinc/22/21/79/398222179.db2.gz WMHCMNNQLHDWAK-QNCMIEPLSA-N 1 1 236.359 1.943 50 0 BDAAMO Cc1cc(NN)[nH+]c(-c2ccccn2)n1 ZINC000051152312 178177675 /nfs/dbraw/zinc/17/76/75/178177675.db2.gz XTKNSXOIFQXANU-UHFFFAOYSA-N 1 1 201.233 1.133 50 0 BDAAMO Cc1cc(C)n(CCC[NH2+]Cc2cn[nH]c2C)n1 ZINC000097159541 398246930 /nfs/dbraw/zinc/24/69/30/398246930.db2.gz HHKYLNNFOGERPX-UHFFFAOYSA-N 1 1 247.346 1.711 50 0 BDAAMO CCn1cc(CNc2cc(C)[nH+]c(C)n2)cn1 ZINC000286536154 538944651 /nfs/dbraw/zinc/94/46/51/538944651.db2.gz YWVXPYUFWJLIJI-UHFFFAOYSA-N 1 1 231.303 1.922 50 0 BDAAMO CC[NH+](CC)CCn1c(N)nc2ccccc21 ZINC000000081439 342673485 /nfs/dbraw/zinc/67/34/85/342673485.db2.gz LNQFKLQTSNFJIH-UHFFFAOYSA-N 1 1 232.331 1.960 50 0 BDAAMO CCn1cc(Br)c(C[NH2+]C)n1 ZINC000002537021 342723410 /nfs/dbraw/zinc/72/34/10/342723410.db2.gz JGUKUOFGLKQDCE-UHFFFAOYSA-N 1 1 218.098 1.385 50 0 BDAAMO Cc1ccc(C[N@H+]2CCC[C@H]2CO)cc1 ZINC000002555525 342723692 /nfs/dbraw/zinc/72/36/92/342723692.db2.gz XSYGFTHHPAOYJI-ZDUSSCGKSA-N 1 1 205.301 1.952 50 0 BDAAMO Cc1ccc(NC(=O)C[NH+](C)C)c(N)c1 ZINC000008703606 342803011 /nfs/dbraw/zinc/80/30/11/342803011.db2.gz MVDQBRDJXWYGHK-UHFFFAOYSA-N 1 1 207.277 1.077 50 0 BDAAMO Cc1ccc(C(C)(C)C[N@@H+](C)CC(N)=O)cc1 ZINC000075861725 178451055 /nfs/dbraw/zinc/45/10/55/178451055.db2.gz JDMIDNSLBBTABU-UHFFFAOYSA-N 1 1 234.343 1.690 50 0 BDAAMO NNc1[nH+]ncc2c3c(sc21)CCCC3 ZINC000014988147 342890401 /nfs/dbraw/zinc/89/04/01/342890401.db2.gz GUWLFRUMYFAUMG-UHFFFAOYSA-N 1 1 220.301 1.856 50 0 BDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000015020975 342890860 /nfs/dbraw/zinc/89/08/60/342890860.db2.gz BPRMDAOAWMQXAJ-JTQLQIEISA-N 1 1 228.336 1.995 50 0 BDAAMO Cc1ccc(OCC[N@@H+](C)[C@@H](C)C(N)=O)cc1 ZINC000016421893 342910324 /nfs/dbraw/zinc/91/03/24/342910324.db2.gz LHVMDJZHTBIDLP-NSHDSACASA-N 1 1 236.315 1.179 50 0 BDAAMO Cc1ccc(OCC[N@H+](C)[C@@H](C)C(N)=O)cc1 ZINC000016421893 342910327 /nfs/dbraw/zinc/91/03/27/342910327.db2.gz LHVMDJZHTBIDLP-NSHDSACASA-N 1 1 236.315 1.179 50 0 BDAAMO CCc1cc[n+](-c2[nH]c(=O)sc2C=O)cc1 ZINC000015974491 342904129 /nfs/dbraw/zinc/90/41/29/342904129.db2.gz RKZHGRODZLGXJQ-UHFFFAOYSA-O 1 1 235.288 1.088 50 0 BDAAMO Cc1ccc(C[NH2+]CCNC[C@@H](C)O)cc1 ZINC000019370648 342947272 /nfs/dbraw/zinc/94/72/72/342947272.db2.gz HIWVTHJOUYZDGL-GFCCVEGCSA-N 1 1 222.332 1.055 50 0 BDAAMO Cc1ccsc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000019634875 342952805 /nfs/dbraw/zinc/95/28/05/342952805.db2.gz DLXYTKAJNDNTJX-JTQLQIEISA-N 1 1 238.356 1.754 50 0 BDAAMO COC(=O)[C@H]([NH3+])Cc1ccc(Cl)cc1 ZINC000019798338 342958361 /nfs/dbraw/zinc/95/83/61/342958361.db2.gz FBHPVOLRIXZZMD-SECBINFHSA-N 1 1 213.664 1.383 50 0 BDAAMO CC[NH+]1CCN(C(=O)c2cccc(C)c2O)CC1 ZINC000019840390 342959618 /nfs/dbraw/zinc/95/96/18/342959618.db2.gz YMFMXEGEGMHGKU-UHFFFAOYSA-N 1 1 248.326 1.478 50 0 BDAAMO Cc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000020408053 342984753 /nfs/dbraw/zinc/98/47/53/342984753.db2.gz PTVJDHHEJBPZNY-UHFFFAOYSA-N 1 1 232.327 1.312 50 0 BDAAMO CSCC[C@H]([NH3+])c1nc(C(C)C)no1 ZINC000021514454 343014747 /nfs/dbraw/zinc/01/47/47/343014747.db2.gz OFBJOCNGGLZWDV-ZETCQYMHSA-N 1 1 215.322 1.946 50 0 BDAAMO Cc1cc(C[NH+]2CCN(C=O)CC2)cc(C)c1O ZINC000025703566 343094848 /nfs/dbraw/zinc/09/48/48/343094848.db2.gz PSXSEXVNDGERHX-UHFFFAOYSA-N 1 1 248.326 1.283 50 0 BDAAMO C[N@@H+](CCC(N)=O)[C@H]1CCc2ccccc21 ZINC000029339364 343138045 /nfs/dbraw/zinc/13/80/45/343138045.db2.gz FDVSKDLPRNNSSR-LBPRGKRZSA-N 1 1 218.300 1.481 50 0 BDAAMO Cc1ccc([C@]23CCC(=O)N2CC[NH2+]3)cc1 ZINC000019947119 343140022 /nfs/dbraw/zinc/14/00/22/343140022.db2.gz YKKODNYBKYPDKY-ZDUSSCGKSA-N 1 1 216.284 1.373 50 0 BDAAMO C/C=C(\C)C[N@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000012299272 187250724 /nfs/dbraw/zinc/25/07/24/187250724.db2.gz JGGXYSGOTQHFTC-RUJPKEBESA-N 1 1 236.359 1.897 50 0 BDAAMO CN1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000023280516 343272110 /nfs/dbraw/zinc/27/21/10/343272110.db2.gz WJYKTGQDCQBKAI-UHFFFAOYSA-N 1 1 241.338 1.982 50 0 BDAAMO C[C@H]([NH3+])c1nc(-c2cccc(F)c2)no1 ZINC000034797631 343278720 /nfs/dbraw/zinc/27/87/20/343278720.db2.gz JYWCLNMDUFEPTB-LURJTMIESA-N 1 1 207.208 1.895 50 0 BDAAMO c1cnn(C2CN(c3[nH+]cnc4[nH]ccc43)C2)c1 ZINC000069455540 187257115 /nfs/dbraw/zinc/25/71/15/187257115.db2.gz GPQSZYLATAYIPJ-UHFFFAOYSA-N 1 1 240.270 1.216 50 0 BDAAMO CC(C)[NH+]1CCC(N(C)C[C@@H]2CCCO2)CC1 ZINC000032541444 187256197 /nfs/dbraw/zinc/25/61/97/187256197.db2.gz QETWGALKWRVLME-AWEZNQCLSA-N 1 1 240.391 1.970 50 0 BDAAMO CC(C)N1CCC([N@H+](C)C[C@@H]2CCCO2)CC1 ZINC000032541444 187256198 /nfs/dbraw/zinc/25/61/98/187256198.db2.gz QETWGALKWRVLME-AWEZNQCLSA-N 1 1 240.391 1.970 50 0 BDAAMO CC(C)N1CCC([N@@H+](C)C[C@@H]2CCCO2)CC1 ZINC000032541444 187256200 /nfs/dbraw/zinc/25/62/00/187256200.db2.gz QETWGALKWRVLME-AWEZNQCLSA-N 1 1 240.391 1.970 50 0 BDAAMO CN1CC[C@@](C)(C[N@H+](C)CCCCCO)C1 ZINC000032590361 187256734 /nfs/dbraw/zinc/25/67/34/187256734.db2.gz WLQIZYAPVJPSEU-ZDUSSCGKSA-N 1 1 228.380 1.423 50 0 BDAAMO CN1CC[C@@](C)(C[N@@H+](C)CCCCCO)C1 ZINC000032590361 187256736 /nfs/dbraw/zinc/25/67/36/187256736.db2.gz WLQIZYAPVJPSEU-ZDUSSCGKSA-N 1 1 228.380 1.423 50 0 BDAAMO Cn1cccc1C[N@H+]1CCCO[C@H](CF)C1 ZINC000335640843 136308564 /nfs/dbraw/zinc/30/85/64/136308564.db2.gz AZSALESWBDYPBD-GFCCVEGCSA-N 1 1 226.295 1.586 50 0 BDAAMO CN(C)Cc1ccc(SCC[NH3+])o1 ZINC000039417829 343390049 /nfs/dbraw/zinc/39/00/49/343390049.db2.gz BRLGMWIUIBXQME-UHFFFAOYSA-N 1 1 200.307 1.392 50 0 BDAAMO CC1(C)CNCC[N@@H+]1Cc1ccccc1 ZINC000057218681 343685811 /nfs/dbraw/zinc/68/58/11/343685811.db2.gz ZDYGXJLQTUNTKJ-UHFFFAOYSA-N 1 1 204.317 1.870 50 0 BDAAMO CC1(C)CNCC[N@H+]1Cc1ccccc1 ZINC000057218681 343685813 /nfs/dbraw/zinc/68/58/13/343685813.db2.gz ZDYGXJLQTUNTKJ-UHFFFAOYSA-N 1 1 204.317 1.870 50 0 BDAAMO O=C1C[N@H+](CCCc2ccccc2)CCN1 ZINC000014231353 346987312 /nfs/dbraw/zinc/98/73/12/346987312.db2.gz OVJZPNVZJZRNJD-UHFFFAOYSA-N 1 1 218.300 1.051 50 0 BDAAMO O=C1C[N@@H+](CCCc2ccccc2)CCN1 ZINC000014231353 346987314 /nfs/dbraw/zinc/98/73/14/346987314.db2.gz OVJZPNVZJZRNJD-UHFFFAOYSA-N 1 1 218.300 1.051 50 0 BDAAMO OC[C@@H]1C[C@H](F)C[N@H+]1CC1CC(F)(F)C1 ZINC000334650106 343900063 /nfs/dbraw/zinc/90/00/63/343900063.db2.gz DLICTSWFFVASEU-IUCAKERBSA-N 1 1 223.238 1.436 50 0 BDAAMO [NH3+]CC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000079016977 187281114 /nfs/dbraw/zinc/28/11/14/187281114.db2.gz WZPSNPSAYYCJGX-UHFFFAOYSA-N 1 1 221.153 1.986 50 0 BDAAMO CC1(C)C[N@@H+](CCCn2ccnc2)C[C@]1(C)O ZINC000091548722 187286401 /nfs/dbraw/zinc/28/64/01/187286401.db2.gz LEAMEHMSULCRAX-ZDUSSCGKSA-N 1 1 237.347 1.366 50 0 BDAAMO CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1ccncc1 ZINC000097139313 187289816 /nfs/dbraw/zinc/28/98/16/187289816.db2.gz OJNJCPCPRKPACE-AWEZNQCLSA-N 1 1 233.359 1.854 50 0 BDAAMO CC(C)[C@@H]1CN(C)CC[N@@H+]1Cc1ccncc1 ZINC000097139313 187289817 /nfs/dbraw/zinc/28/98/17/187289817.db2.gz OJNJCPCPRKPACE-AWEZNQCLSA-N 1 1 233.359 1.854 50 0 BDAAMO CC(C)[C@@H]1CN(C)CC[N@H+]1Cc1ccncc1 ZINC000097139313 187289819 /nfs/dbraw/zinc/28/98/19/187289819.db2.gz OJNJCPCPRKPACE-AWEZNQCLSA-N 1 1 233.359 1.854 50 0 BDAAMO CC[N@@H+]1CCC[C@@H]1CNCc1ccncc1 ZINC000095223302 344333765 /nfs/dbraw/zinc/33/37/65/344333765.db2.gz DGPJTESPWRLSFV-CYBMUJFWSA-N 1 1 219.332 1.656 50 0 BDAAMO CC[N@H+]1CCC[C@@H]1CNCc1ccncc1 ZINC000095223302 344333768 /nfs/dbraw/zinc/33/37/68/344333768.db2.gz DGPJTESPWRLSFV-CYBMUJFWSA-N 1 1 219.332 1.656 50 0 BDAAMO CCOC(=O)c1cc(C[N@@H+](CC)C2CC2)on1 ZINC000600840565 344382379 /nfs/dbraw/zinc/38/23/79/344382379.db2.gz ISAXMRZBHYGKON-UHFFFAOYSA-N 1 1 238.287 1.836 50 0 BDAAMO Cc1nnc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)n1C ZINC000248120760 345044736 /nfs/dbraw/zinc/04/47/36/345044736.db2.gz JZORZJKLJOHLGW-NWDGAFQWSA-N 1 1 234.347 1.888 50 0 BDAAMO CC[C@@H](O)C[N@@H+]1CCOC[C@H]1c1cccn1C ZINC000131999422 345313298 /nfs/dbraw/zinc/31/32/98/345313298.db2.gz DEKKVTWQEMOYOI-YPMHNXCESA-N 1 1 238.331 1.169 50 0 BDAAMO CC[C@@H](O)C[N@H+]1CCOC[C@H]1c1cccn1C ZINC000131999422 345313300 /nfs/dbraw/zinc/31/33/00/345313300.db2.gz DEKKVTWQEMOYOI-YPMHNXCESA-N 1 1 238.331 1.169 50 0 BDAAMO COC(=O)[C@@H]1CC[N@H+](Cc2cncnc2)C[C@H]1C ZINC000248881880 345448162 /nfs/dbraw/zinc/44/81/62/345448162.db2.gz FZEFCUJRIJPWIC-ZYHUDNBSSA-N 1 1 249.314 1.108 50 0 BDAAMO COC(=O)[C@@H]1CC[N@@H+](Cc2cncnc2)C[C@H]1C ZINC000248881880 345448165 /nfs/dbraw/zinc/44/81/65/345448165.db2.gz FZEFCUJRIJPWIC-ZYHUDNBSSA-N 1 1 249.314 1.108 50 0 BDAAMO CC(C)CCC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000095466161 345686315 /nfs/dbraw/zinc/68/63/15/345686315.db2.gz RIASLJFEEIQWNZ-CHWSQXEVSA-N 1 1 238.375 1.975 50 0 BDAAMO Cc1cncc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)c1 ZINC000095975211 345686739 /nfs/dbraw/zinc/68/67/39/345686739.db2.gz GSPRDRJQXZNKCR-TXEJJXNPSA-N 1 1 247.342 1.555 50 0 BDAAMO Cc1cncc(C(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)c1 ZINC000095975211 345686742 /nfs/dbraw/zinc/68/67/42/345686742.db2.gz GSPRDRJQXZNKCR-TXEJJXNPSA-N 1 1 247.342 1.555 50 0 BDAAMO CCc1nc(Cn2c[nH+]c(C)c2C)no1 ZINC000079090695 345885760 /nfs/dbraw/zinc/88/57/60/345885760.db2.gz GQKNFBQQASBHQV-UHFFFAOYSA-N 1 1 206.249 1.494 50 0 BDAAMO C[NH+](C)Cc1nnc(-c2ccccc2)o1 ZINC000016527109 346295957 /nfs/dbraw/zinc/29/59/57/346295957.db2.gz DNPIBZGZYAPTLF-UHFFFAOYSA-N 1 1 203.245 1.798 50 0 BDAAMO Cc1cccc(NC(=O)[C@H]2CSC[NH2+]2)c1C ZINC000019482430 179141522 /nfs/dbraw/zinc/14/15/22/179141522.db2.gz IOQXZBGGGUEHQJ-LLVKDONJSA-N 1 1 236.340 1.904 50 0 BDAAMO O=C(c1cccs1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000027932092 347208917 /nfs/dbraw/zinc/20/89/17/347208917.db2.gz JLRSHULKQRCCMH-SNVBAGLBSA-N 1 1 236.340 1.668 50 0 BDAAMO CC(C)(O)[C@@H]1CCC[N@H+]1C[C@H]1CCOC1 ZINC000110695185 347341281 /nfs/dbraw/zinc/34/12/81/347341281.db2.gz FYKVCLZELDVPPY-MNOVXSKESA-N 1 1 213.321 1.258 50 0 BDAAMO C[C@H](C1CCC1)[N@@H+](C)CCC1OCCO1 ZINC000195565993 347647404 /nfs/dbraw/zinc/64/74/04/347647404.db2.gz POZKEBCQRWGFBB-SNVBAGLBSA-N 1 1 213.321 1.870 50 0 BDAAMO FC(F)(F)c1cnccc1N1CCC[NH2+]CC1 ZINC000204095758 348261592 /nfs/dbraw/zinc/26/15/92/348261592.db2.gz GIYSAKCXGMEULM-UHFFFAOYSA-N 1 1 245.248 1.900 50 0 BDAAMO CC[N@H+](CC(=O)O[C@H]1CCC[C@H]1OC)C1CC1 ZINC000108393101 490141413 /nfs/dbraw/zinc/14/14/13/490141413.db2.gz ABERNIQUALUOPF-NEPJUHHUSA-N 1 1 241.331 1.581 50 0 BDAAMO CC[N@@H+](CC(=O)O[C@H]1CCC[C@H]1OC)C1CC1 ZINC000108393101 490141416 /nfs/dbraw/zinc/14/14/16/490141416.db2.gz ABERNIQUALUOPF-NEPJUHHUSA-N 1 1 241.331 1.581 50 0 BDAAMO C[C@H](C(=O)N1CCCC1)[NH+]1CCSCC1 ZINC000047992948 490169382 /nfs/dbraw/zinc/16/93/82/490169382.db2.gz TXMQYIOQCGNABG-SNVBAGLBSA-N 1 1 228.361 1.046 50 0 BDAAMO COC(=O)[C@@]1([NH3+])CCc2cc(Cl)ccc2C1 ZINC000095635359 348832416 /nfs/dbraw/zinc/83/24/16/348832416.db2.gz PHDSFEWNJQAKFW-GFCCVEGCSA-N 1 1 239.702 1.699 50 0 BDAAMO CCn1cncc1C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399250619 323201825 /nfs/dbraw/zinc/20/18/25/323201825.db2.gz MJTVQCUOPGUHNE-JQWIXIFHSA-N 1 1 223.320 1.248 50 0 BDAAMO C(=CN=Nc1nn[nH]n1)Cc1ccccc1 ZINC000002771351 350082717 /nfs/dbraw/zinc/08/27/17/350082717.db2.gz QBWXSGSAMQGELO-MPXNMPGESA-N 1 1 214.232 1.311 50 0 BDAAMO CC[NH+]1CCN(CC(=O)c2ccco2)CC1 ZINC000022037419 350066004 /nfs/dbraw/zinc/06/60/04/350066004.db2.gz SDLHXFQWVHBVTH-UHFFFAOYSA-N 1 1 222.288 1.100 50 0 BDAAMO c1cn2c(n1)[C@H](C[NH2+]Cc1c[nH]cn1)CCC2 ZINC000089884728 362953418 /nfs/dbraw/zinc/95/34/18/362953418.db2.gz UXRQHMWAFOAAFH-JTQLQIEISA-N 1 1 231.303 1.273 50 0 BDAAMO CC(C)CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000229225540 350570265 /nfs/dbraw/zinc/57/02/65/350570265.db2.gz VNWBMBRMGGSPLD-VXGBXAGGSA-N 1 1 226.364 1.879 50 0 BDAAMO Cc1nnc(C[NH2+][C@@H](C)[C@@H]2CCCO2)o1 ZINC000170594698 180414060 /nfs/dbraw/zinc/41/40/60/180414060.db2.gz MPYKVIYQPMBFFG-CBAPKCEASA-N 1 1 211.265 1.035 50 0 BDAAMO C[N@@H+](CC(N)=O)[C@H]1CCCc2ccccc21 ZINC000007583028 350835480 /nfs/dbraw/zinc/83/54/80/350835480.db2.gz LINVJKNWUDXGGT-LBPRGKRZSA-N 1 1 218.300 1.481 50 0 BDAAMO CCc1ccc(C[N@H+](CC(N)=O)C2CC2)cc1 ZINC000042146606 351981395 /nfs/dbraw/zinc/98/13/95/351981395.db2.gz LTXAUZPIDAVIMI-UHFFFAOYSA-N 1 1 232.327 1.699 50 0 BDAAMO CCc1ccc(C[N@@H+](CC(N)=O)C2CC2)cc1 ZINC000042146606 351981399 /nfs/dbraw/zinc/98/13/99/351981399.db2.gz LTXAUZPIDAVIMI-UHFFFAOYSA-N 1 1 232.327 1.699 50 0 BDAAMO Cc1ccc[nH+]c1NCCn1cnnc1 ZINC000065529650 188015207 /nfs/dbraw/zinc/01/52/07/188015207.db2.gz HXSHDYZETRDXKK-UHFFFAOYSA-N 1 1 203.249 1.094 50 0 BDAAMO CC(C)(O)[C@@H]1CCC[N@H+]1C[C@@H]1CCOC1 ZINC000096485269 188016853 /nfs/dbraw/zinc/01/68/53/188016853.db2.gz FYKVCLZELDVPPY-QWRGUYRKSA-N 1 1 213.321 1.258 50 0 BDAAMO C/C=C/C=C\C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000096298249 188017522 /nfs/dbraw/zinc/01/75/22/188017522.db2.gz VOZHTLGDLGETLF-OCAVMSEFSA-N 1 1 234.343 1.814 50 0 BDAAMO C[N@@H+](C1CCS(=O)(=O)CC1)[C@H]1C=CCCC1 ZINC000079469697 538110580 /nfs/dbraw/zinc/11/05/80/538110580.db2.gz OFOJBGZVJPJGAL-NSHDSACASA-N 1 1 243.372 1.604 50 0 BDAAMO NC(=O)CC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000010089912 181222191 /nfs/dbraw/zinc/22/21/91/181222191.db2.gz WQKPBXIGMYGMLG-GFCCVEGCSA-N 1 1 218.300 1.699 50 0 BDAAMO NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000057406992 181235485 /nfs/dbraw/zinc/23/54/85/181235485.db2.gz WBXZYSPLBBPZRA-UHFFFAOYSA-N 1 1 240.306 1.851 50 0 BDAAMO NC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1C=CCCC1 ZINC000229604782 181267652 /nfs/dbraw/zinc/26/76/52/181267652.db2.gz GPOBOYYAZZOPIX-MNOVXSKESA-N 1 1 208.305 1.435 50 0 BDAAMO NC(=O)[C@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000157169252 181282340 /nfs/dbraw/zinc/28/23/40/181282340.db2.gz KQOYTHSIUBQRKP-ISUDXETCSA-N 1 1 248.301 1.646 50 0 BDAAMO Cc1csc(C[N@@H+](C[C@@H](O)CO)C(C)C)n1 ZINC000421008735 192299259 /nfs/dbraw/zinc/29/92/59/192299259.db2.gz ZLHAWAKRAMULCC-SNVBAGLBSA-N 1 1 244.360 1.015 50 0 BDAAMO Cc1csc(C[N@H+](C[C@@H](O)CO)C(C)C)n1 ZINC000421008735 192299262 /nfs/dbraw/zinc/29/92/62/192299262.db2.gz ZLHAWAKRAMULCC-SNVBAGLBSA-N 1 1 244.360 1.015 50 0 BDAAMO C[N@@H+](CC1CCC1)[C@@H]1CCC[C@H]1S(C)(=O)=O ZINC000252511400 363489498 /nfs/dbraw/zinc/48/94/98/363489498.db2.gz GJULPFBKSSPPMM-VXGBXAGGSA-N 1 1 245.388 1.684 50 0 BDAAMO C[C@@H]1CC[N@@H+](Cc2ccncc2F)[C@@H]1CO ZINC000336217512 134137737 /nfs/dbraw/zinc/13/77/37/134137737.db2.gz GFZILJXWWGWACE-BXKDBHETSA-N 1 1 224.279 1.423 50 0 BDAAMO CCn1nc(C)c(C[NH2+][C@H]2COC(C)(C)C2)n1 ZINC000585088810 538793797 /nfs/dbraw/zinc/79/37/97/538793797.db2.gz BZVUOBRGWRXGDJ-SNVBAGLBSA-N 1 1 238.335 1.264 50 0 BDAAMO COC(=O)[C@@H]1C[N@@H+]([C@@H]2C=CCCC2)C[C@@H](C)O1 ZINC000246418064 359079355 /nfs/dbraw/zinc/07/93/55/359079355.db2.gz JQUOXGJBBYPQAR-UTUOFQBUSA-N 1 1 239.315 1.357 50 0 BDAAMO COC(=O)[C@@H]1C[N@H+]([C@@H]2C=CCCC2)C[C@@H](C)O1 ZINC000246418064 359079357 /nfs/dbraw/zinc/07/93/57/359079357.db2.gz JQUOXGJBBYPQAR-UTUOFQBUSA-N 1 1 239.315 1.357 50 0 BDAAMO CC[N@@H+]1CCC[C@H]1CNCc1c[nH]nc1C ZINC000036901528 361577492 /nfs/dbraw/zinc/57/74/92/361577492.db2.gz KEJQOSRRPLTGBX-LBPRGKRZSA-N 1 1 222.336 1.292 50 0 BDAAMO CC[N@H+]1CCC[C@H]1CNCc1c[nH]nc1C ZINC000036901528 361577495 /nfs/dbraw/zinc/57/74/95/361577495.db2.gz KEJQOSRRPLTGBX-LBPRGKRZSA-N 1 1 222.336 1.292 50 0 BDAAMO c1ccc(N2CCC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000095395450 541394448 /nfs/dbraw/zinc/39/44/48/541394448.db2.gz RYSWTDCBXVJIPD-GFCCVEGCSA-N 1 1 217.316 1.756 50 0 BDAAMO O[C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000116898560 370850951 /nfs/dbraw/zinc/85/09/51/370850951.db2.gz QBGJTVIWVSLDFA-BTTYYORXSA-N 1 1 217.312 1.889 50 0 BDAAMO Cc1nonc1C[NH2+][C@@H](C)COc1ccccc1 ZINC000584896696 369044033 /nfs/dbraw/zinc/04/40/33/369044033.db2.gz HEOMARJMYIZICN-JTQLQIEISA-N 1 1 247.298 1.935 50 0 BDAAMO [NH3+]Cc1noc(-c2ccc(Cl)cc2F)n1 ZINC000041052062 181506895 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/nfs/dbraw/zinc/33/39/13/169333913.db2.gz GDRFILGWWAACCH-QWRGUYRKSA-N 1 1 248.392 1.045 50 0 BDAAMO Cc1n[nH]c(C)c1CCCN[C@H]1CCC[NH2+]C1 ZINC000067541353 383929799 /nfs/dbraw/zinc/92/97/99/383929799.db2.gz IYBKZBXAYFWAMD-LBPRGKRZSA-N 1 1 236.363 1.301 50 0 BDAAMO CC(C)[N@@H+](CCC(N)=O)CCC(F)(F)F ZINC000067677929 383936414 /nfs/dbraw/zinc/93/64/14/383936414.db2.gz GIOXGWCPORAYFX-UHFFFAOYSA-N 1 1 226.242 1.525 50 0 BDAAMO CN(C)CCC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000002297681 383959830 /nfs/dbraw/zinc/95/98/30/383959830.db2.gz BGROOSOHEJHFDU-UHFFFAOYSA-N 1 1 236.315 1.457 50 0 BDAAMO CC[NH+](CC)[C@@H]1CCN(c2cc(C)nc(N)n2)C1 ZINC000090801980 384075938 /nfs/dbraw/zinc/07/59/38/384075938.db2.gz YJFYCDVQSYBHPP-LLVKDONJSA-N 1 1 249.362 1.288 50 0 BDAAMO CCC[C@@]1(CO)CCC[N@H+](Cc2ncccn2)C1 ZINC000091997957 384158870 /nfs/dbraw/zinc/15/88/70/384158870.db2.gz NEPOFFUSPHNXHI-CQSZACIVSA-N 1 1 249.358 1.851 50 0 BDAAMO CCC[C@@]1(CO)CCC[N@@H+](Cc2ncccn2)C1 ZINC000091997957 384158874 /nfs/dbraw/zinc/15/88/74/384158874.db2.gz NEPOFFUSPHNXHI-CQSZACIVSA-N 1 1 249.358 1.851 50 0 BDAAMO Cc1cc(C)c(C(=O)N2CC[NH+](C)CC2)c(C)c1 ZINC000006698675 384163134 /nfs/dbraw/zinc/16/31/34/384163134.db2.gz NNHYAUZTWVOLJK-UHFFFAOYSA-N 1 1 246.354 1.999 50 0 BDAAMO Cc1cc(C)n(CC[N@H+]2CCC[C@H](CO)C2)n1 ZINC000071916285 384192867 /nfs/dbraw/zinc/19/28/67/384192867.db2.gz CAYJXGOETSNCSV-ZDUSSCGKSA-N 1 1 237.347 1.204 50 0 BDAAMO C[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000237511368 384257061 /nfs/dbraw/zinc/25/70/61/384257061.db2.gz CTGFMMOQFLSOGD-RYUDHWBXSA-N 1 1 240.347 1.267 50 0 BDAAMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1nccn1C ZINC000408514339 384265527 /nfs/dbraw/zinc/26/55/27/384265527.db2.gz IZKHNNHQXSJGIC-UTUOFQBUSA-N 1 1 237.347 1.401 50 0 BDAAMO CC[N@H+]1CCCN(c2nc(C)ns2)[C@H](C)C1 ZINC000408524140 384291083 /nfs/dbraw/zinc/29/10/83/384291083.db2.gz QMSAMGYOBKPHLR-SECBINFHSA-N 1 1 240.376 1.767 50 0 BDAAMO COC(=O)[C@@H](C)SCC[C@@H]1CCC[N@H+]1C ZINC000097102251 384359839 /nfs/dbraw/zinc/35/98/39/384359839.db2.gz FYZRCKFLMSGIGQ-ZJUUUORDSA-N 1 1 231.361 1.765 50 0 BDAAMO C[C@H]([NH2+]Cc1noc(C2CC2)n1)[C@@H]1CCOC1 ZINC000097096452 384333844 /nfs/dbraw/zinc/33/38/44/384333844.db2.gz UZLLZSAGLDWAPH-WCBMZHEXSA-N 1 1 237.303 1.462 50 0 BDAAMO Cc1cc(C)cc(CN2CC[NH2+]CC2=O)c1 ZINC000014807682 384407987 /nfs/dbraw/zinc/40/79/87/384407987.db2.gz HMCLXFSYZUIAPP-UHFFFAOYSA-N 1 1 218.300 1.235 50 0 BDAAMO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1ccccn1 ZINC000097139299 384378986 /nfs/dbraw/zinc/37/89/86/384378986.db2.gz MBCRACSOWPTXSS-CQSZACIVSA-N 1 1 233.359 1.854 50 0 BDAAMO CC(C)[C@H]1CN(C)CC[N@@H+]1Cc1ccccn1 ZINC000097139299 384378992 /nfs/dbraw/zinc/37/89/92/384378992.db2.gz MBCRACSOWPTXSS-CQSZACIVSA-N 1 1 233.359 1.854 50 0 BDAAMO CC(C)[C@H]1CN(C)CC[N@H+]1Cc1ccccn1 ZINC000097139299 384379000 /nfs/dbraw/zinc/37/90/00/384379000.db2.gz MBCRACSOWPTXSS-CQSZACIVSA-N 1 1 233.359 1.854 50 0 BDAAMO CCCCNC(=O)C[N@@H+](C(C)C)C1CC1 ZINC000032804043 384385418 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/nfs/dbraw/zinc/87/61/02/384876102.db2.gz YYAHQCOFBZONLV-AWEZNQCLSA-N 1 1 237.343 1.424 50 0 BDAAMO CC(C)(C)OC(=O)[C@H]([NH3+])Cc1ccc(O)cc1 ZINC000055345602 384880211 /nfs/dbraw/zinc/88/02/11/384880211.db2.gz DIGHFXIWRPMGSA-LLVKDONJSA-N 1 1 237.299 1.604 50 0 BDAAMO CCC[NH+]1CCN(c2ccc(C(C)=O)cn2)CC1 ZINC000178879492 384851128 /nfs/dbraw/zinc/85/11/28/384851128.db2.gz RHZGPSGLYDQOIN-UHFFFAOYSA-N 1 1 247.342 1.816 50 0 BDAAMO O[C@H]1COCC[N@H+](Cc2ccccc2F)C1 ZINC000085435999 385184646 /nfs/dbraw/zinc/18/46/46/385184646.db2.gz UTTYSGYIXCUYOS-LLVKDONJSA-N 1 1 225.263 1.019 50 0 BDAAMO O[C@H]1COCC[N@@H+](Cc2ccccc2F)C1 ZINC000085435999 385184652 /nfs/dbraw/zinc/18/46/52/385184652.db2.gz UTTYSGYIXCUYOS-LLVKDONJSA-N 1 1 225.263 1.019 50 0 BDAAMO O=C1CC[N@@H+](Cc2ccccc2)CCOCCN1 ZINC000257176820 385186396 /nfs/dbraw/zinc/18/63/96/385186396.db2.gz AQLPFNRWWVLOMS-UHFFFAOYSA-N 1 1 248.326 1.025 50 0 BDAAMO [NH3+][C@H]1CCOc2ccc(Cl)cc2C1=O ZINC000062622915 385178296 /nfs/dbraw/zinc/17/82/96/385178296.db2.gz GXWYPDHTCKZBLF-QMMMGPOBSA-N 1 1 211.648 1.633 50 0 BDAAMO COc1cc(C)ccc1[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000065425478 385308087 /nfs/dbraw/zinc/30/80/87/385308087.db2.gz RVWMULJOSBHFAZ-CYBMUJFWSA-N 1 1 243.310 1.962 50 0 BDAAMO c1cn(C[C@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)cn1 ZINC000216546616 385868133 /nfs/dbraw/zinc/86/81/33/385868133.db2.gz GQOIXIXHFLESDJ-LBPRGKRZSA-N 1 1 245.330 1.518 50 0 BDAAMO c1cn(C[C@H]2CCC[N@H+](Cc3c[nH]cn3)C2)cn1 ZINC000216546616 385868138 /nfs/dbraw/zinc/86/81/38/385868138.db2.gz GQOIXIXHFLESDJ-LBPRGKRZSA-N 1 1 245.330 1.518 50 0 BDAAMO c1cn(C[C@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)cn1 ZINC000216546616 385868143 /nfs/dbraw/zinc/86/81/43/385868143.db2.gz GQOIXIXHFLESDJ-LBPRGKRZSA-N 1 1 245.330 1.518 50 0 BDAAMO CN(C)CCC[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000004184644 386303757 /nfs/dbraw/zinc/30/37/57/386303757.db2.gz OPZKYVKFRACHIC-LBPRGKRZSA-N 1 1 242.363 1.213 50 0 BDAAMO C[NH+](C)CCCNC[C@H]1COC2(CCCC2)O1 ZINC000004184644 386303762 /nfs/dbraw/zinc/30/37/62/386303762.db2.gz OPZKYVKFRACHIC-LBPRGKRZSA-N 1 1 242.363 1.213 50 0 BDAAMO Cc1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)on1 ZINC000044941821 386357041 /nfs/dbraw/zinc/35/70/41/386357041.db2.gz KLPOECFXQIGEOI-WDEREUQCSA-N 1 1 249.314 1.340 50 0 BDAAMO COC[C@@H](O)CNc1cc[nH+]cc1Cl ZINC000086778451 386496493 /nfs/dbraw/zinc/49/64/93/386496493.db2.gz ASCWWXMONDMTJG-ZETCQYMHSA-N 1 1 216.668 1.154 50 0 BDAAMO CN(C)c1noc([C@H]2CCn3cc[nH+]c3C2)n1 ZINC000329759470 386800730 /nfs/dbraw/zinc/80/07/30/386800730.db2.gz OXUDWSCHLMLDJN-QMMMGPOBSA-N 1 1 233.275 1.062 50 0 BDAAMO CC[N@@H+](CCN1CCOCC1)[C@@H](C)C(C)C ZINC000077655298 387451757 /nfs/dbraw/zinc/45/17/57/387451757.db2.gz FTFJNNJWVKJBOI-ZDUSSCGKSA-N 1 1 228.380 1.685 50 0 BDAAMO c1ccc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000082972322 387394077 /nfs/dbraw/zinc/39/40/77/387394077.db2.gz JWYKYWJRWSXJPQ-KGLIPLIRSA-N 1 1 216.328 1.870 50 0 BDAAMO Cc1[nH+]ccn1[C@@H](C)C(=O)NCc1cccnc1 ZINC000426381392 387562152 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/nfs/dbraw/zinc/42/84/29/343428429.db2.gz FRCSTQYEIKHJFQ-LURJTMIESA-N 1 1 216.162 1.657 50 0 BDAAMO CN(CC1CCOCC1)c1[nH+]cccc1N ZINC000042783581 343453663 /nfs/dbraw/zinc/45/36/63/343453663.db2.gz YKFGPCGVUIUMHZ-UHFFFAOYSA-N 1 1 221.304 1.527 50 0 BDAAMO CC(C)=CC[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000040466190 187264628 /nfs/dbraw/zinc/26/46/28/187264628.db2.gz ZLCDSRNYWCXJBV-UHFFFAOYSA-N 1 1 222.332 1.507 50 0 BDAAMO CC(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000044872759 187268234 /nfs/dbraw/zinc/26/82/34/187268234.db2.gz CGNLUUZBVCLLSS-UHFFFAOYSA-N 1 1 238.356 1.802 50 0 BDAAMO C[N@H+]1CC=C(c2ccccc2)[C@@H](CO)C1 ZINC000000525622 346977744 /nfs/dbraw/zinc/97/77/44/346977744.db2.gz XEKJYZSYCTXLJX-GFCCVEGCSA-N 1 1 203.285 1.624 50 0 biogenic BDAAMO CC(C)N(C)C(=O)C[N@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000069737184 187275114 /nfs/dbraw/zinc/27/51/14/187275114.db2.gz GPDBGZGOZCANGZ-VXGBXAGGSA-N 1 1 242.363 1.089 50 0 BDAAMO Cc1ccc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)c(C)c1 ZINC000092041993 343958382 /nfs/dbraw/zinc/95/83/82/343958382.db2.gz QIGWNQKIPVSOLE-DZGCQCFKSA-N 1 1 249.354 1.885 50 0 BDAAMO Cc1ccc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)c(C)c1 ZINC000092041993 343958383 /nfs/dbraw/zinc/95/83/83/343958383.db2.gz QIGWNQKIPVSOLE-DZGCQCFKSA-N 1 1 249.354 1.885 50 0 BDAAMO C1CC[C@@H](c2nnc(C3CCOCC3)o2)[NH2+]C1 ZINC000083364895 187285225 /nfs/dbraw/zinc/28/52/25/187285225.db2.gz WOXUTDGUCVRCFR-JTQLQIEISA-N 1 1 237.303 1.778 50 0 BDAAMO CNc1ncccc1CN(C)C[C@@H]1CCC[N@H+]1C ZINC000092669326 344300999 /nfs/dbraw/zinc/30/09/99/344300999.db2.gz IPWXSOWWGFHXTC-ZDUSSCGKSA-N 1 1 248.374 1.649 50 0 BDAAMO CCN1c2ccc(Cl)cc2[C@H]([NH3+])C1=O ZINC000100482009 344413756 /nfs/dbraw/zinc/41/37/56/344413756.db2.gz UOMGZDJNURBAGH-VIFPVBQESA-N 1 1 210.664 1.706 50 0 BDAAMO CC(C)CCC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000095466162 345686379 /nfs/dbraw/zinc/68/63/79/345686379.db2.gz RIASLJFEEIQWNZ-QWHCGFSZSA-N 1 1 238.375 1.975 50 0 BDAAMO OC[C@H]1c2ccccc2CC[N@H+]1[C@H]1CCOC1 ZINC000685939742 537929023 /nfs/dbraw/zinc/92/90/23/537929023.db2.gz JXIGOEAJPYWIOG-JSGCOSHPSA-N 1 1 233.311 1.367 50 0 BDAAMO [NH3+][C@@H]1Cc2[nH]ncc2[C@@H](C(F)(F)F)C1 ZINC000685944679 537935324 /nfs/dbraw/zinc/93/53/24/537935324.db2.gz NYGXCMYDQWYVCJ-NJGYIYPDSA-N 1 1 205.183 1.329 50 0 BDAAMO Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](O)C2)c1 ZINC000047864867 179127640 /nfs/dbraw/zinc/12/76/40/179127640.db2.gz OUGUOYQBOSPIQH-ZDUSSCGKSA-N 1 1 248.326 1.390 50 0 BDAAMO Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](O)C2)c1 ZINC000047864867 179127642 /nfs/dbraw/zinc/12/76/42/179127642.db2.gz OUGUOYQBOSPIQH-ZDUSSCGKSA-N 1 1 248.326 1.390 50 0 BDAAMO CC[N@H+](CC(N)=O)C[C@H]1C(C)=CCC[C@H]1C ZINC000188073912 346735601 /nfs/dbraw/zinc/73/56/01/346735601.db2.gz ITCUOPUXRWXGAD-NEPJUHHUSA-N 1 1 224.348 1.786 50 0 BDAAMO Cc1[nH+]ccn1C[C@H](O)COc1cccc(C)c1 ZINC000000177610 179170661 /nfs/dbraw/zinc/17/06/61/179170661.db2.gz VQPWOYBOPXVVDI-ZDUSSCGKSA-N 1 1 246.310 1.940 50 0 BDAAMO C[C@H]([NH2+]C[C@]1(C)CCCS1)c1ncn(C)n1 ZINC000391950537 347306829 /nfs/dbraw/zinc/30/68/29/347306829.db2.gz SSLYSUPZPNCOQT-ONGXEEELSA-N 1 1 240.376 1.751 50 0 BDAAMO C[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1ncn(C)n1 ZINC000391950535 347307175 /nfs/dbraw/zinc/30/71/75/347307175.db2.gz SSLYSUPZPNCOQT-MWLCHTKSSA-N 1 1 240.376 1.751 50 0 BDAAMO Cc1ccccc1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000058215851 179252676 /nfs/dbraw/zinc/25/26/76/179252676.db2.gz MWFLUEUNSCAHBJ-LBPRGKRZSA-N 1 1 244.338 1.962 50 0 BDAAMO Cc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1C ZINC000060377413 179275009 /nfs/dbraw/zinc/27/50/09/179275009.db2.gz GMQMMMFEVCZTET-LLVKDONJSA-N 1 1 218.300 1.315 50 0 BDAAMO Cc1ccccc1C[N@H+]1CCNC(=O)[C@H]1C ZINC000060377413 179275014 /nfs/dbraw/zinc/27/50/14/179275014.db2.gz GMQMMMFEVCZTET-LLVKDONJSA-N 1 1 218.300 1.315 50 0 BDAAMO Cc1[nH+]c2cc3c(cc2n1C)OCCO3 ZINC000064557085 180087299 /nfs/dbraw/zinc/08/72/99/180087299.db2.gz UKKOKOYUKHHEAB-UHFFFAOYSA-N 1 1 204.229 1.653 50 0 BDAAMO C[C@H]([NH2+]Cc1ccc2nc[nH]c2c1)C(C)(C)O ZINC000604765626 350185598 /nfs/dbraw/zinc/18/55/98/350185598.db2.gz VJSRBMFWYDUXJW-VIFPVBQESA-N 1 1 233.315 1.812 50 0 BDAAMO Cc1nccn1CCC[N@H+](C)C[C@@H]1CCCO1 ZINC000125099662 180235511 /nfs/dbraw/zinc/23/55/11/180235511.db2.gz SFXATXJDUVZZAW-ZDUSSCGKSA-N 1 1 237.347 1.692 50 0 BDAAMO Cc1[nH+]ccn1CCCSc1c[nH]nn1 ZINC000097014295 180247851 /nfs/dbraw/zinc/24/78/51/180247851.db2.gz DXPYDZXFQQLYOY-UHFFFAOYSA-N 1 1 223.305 1.492 50 0 BDAAMO Cc1[nH+]ccn1CCCSc1cn[nH]n1 ZINC000097014295 180247853 /nfs/dbraw/zinc/24/78/53/180247853.db2.gz DXPYDZXFQQLYOY-UHFFFAOYSA-N 1 1 223.305 1.492 50 0 BDAAMO Cc1[nH+]ccn1Cc1nc(C(C)C)no1 ZINC000064542881 180269640 /nfs/dbraw/zinc/26/96/40/180269640.db2.gz JEYASEGGFTYPPV-UHFFFAOYSA-N 1 1 206.249 1.746 50 0 BDAAMO CN(C)C[C@@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC000601014764 350330085 /nfs/dbraw/zinc/33/00/85/350330085.db2.gz BUUNJRAKOZFHMS-QWHCGFSZSA-N 1 1 204.317 1.551 50 0 BDAAMO Cc1ccc(F)cc1C[N@H+]1CC[C@H](O)C1 ZINC000038538992 362960185 /nfs/dbraw/zinc/96/01/85/362960185.db2.gz UZHDRWCLLDGXLC-LBPRGKRZSA-N 1 1 209.264 1.701 50 0 BDAAMO C[N@@H+](CC1CCCC1)CC(C)(CO)CO ZINC000149146736 191113565 /nfs/dbraw/zinc/11/35/65/191113565.db2.gz NOOWXTTYSFIBSV-UHFFFAOYSA-N 1 1 215.337 1.099 50 0 BDAAMO CC(C)C[C@@H](C)[N@@H+](C)C[C@@H](O)CN1CCCC1 ZINC000105887002 191123222 /nfs/dbraw/zinc/12/32/22/191123222.db2.gz DETCWKVGBDEISD-ZIAGYGMSSA-N 1 1 242.407 1.810 50 0 BDAAMO CC[N@H+]1CCC[C@@H]1Cn1c2ccccc2[nH]c1=O ZINC000258246897 351065313 /nfs/dbraw/zinc/06/53/13/351065313.db2.gz XOEWPPGEHWSBMW-LLVKDONJSA-N 1 1 245.326 1.814 50 0 BDAAMO CC(C)COCC[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000225720669 191133068 /nfs/dbraw/zinc/13/30/68/191133068.db2.gz OGLNRPNEBZYLHI-PBWFPOADSA-N 1 1 241.375 1.752 50 0 BDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCCC1 ZINC000044893794 352480803 /nfs/dbraw/zinc/48/08/03/352480803.db2.gz UIKRHMRDTUWABB-GFCCVEGCSA-N 1 1 224.348 1.777 50 0 BDAAMO CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1cscn1 ZINC000097059008 187975723 /nfs/dbraw/zinc/97/57/23/187975723.db2.gz FSNVAGLNXBDYAO-LBPRGKRZSA-N 1 1 239.388 1.915 50 0 BDAAMO C/C=C/C=C/C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000096423482 188017183 /nfs/dbraw/zinc/01/71/83/188017183.db2.gz KOFPGFZEZDFXMP-OUKFFORSSA-N 1 1 222.332 1.671 50 0 BDAAMO CC(C)[N@@H+](Cc1ccon1)CC(C)(C)O ZINC000096473867 188017427 /nfs/dbraw/zinc/01/74/27/188017427.db2.gz XVWWSDBXKBPWED-UHFFFAOYSA-N 1 1 212.293 1.656 50 0 BDAAMO NC(=O)CC[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000040162305 181222704 /nfs/dbraw/zinc/22/27/04/181222704.db2.gz MQHIMHDBHSKBMD-UHFFFAOYSA-N 1 1 230.311 1.651 50 0 BDAAMO NC(=O)CC[N@@H+](Cc1ccccc1F)C1CC1 ZINC000016395670 181223320 /nfs/dbraw/zinc/22/33/20/181223320.db2.gz AZLRADMMTGTPHP-UHFFFAOYSA-N 1 1 236.290 1.666 50 0 BDAAMO NC(=O)C[N@H+](Cc1ccccc1)C1CC1 ZINC000025118443 181229715 /nfs/dbraw/zinc/22/97/15/181229715.db2.gz FDZWINPNXUXQGK-UHFFFAOYSA-N 1 1 204.273 1.136 50 0 BDAAMO NC(=O)C[N@@H+](Cc1ccccc1)C1CC1 ZINC000025118443 181229717 /nfs/dbraw/zinc/22/97/17/181229717.db2.gz FDZWINPNXUXQGK-UHFFFAOYSA-N 1 1 204.273 1.136 50 0 BDAAMO NC(=O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000076107707 181231592 /nfs/dbraw/zinc/23/15/92/181231592.db2.gz WJNMEYBFTFSXPO-OLZOCXBDSA-N 1 1 248.326 1.060 50 0 BDAAMO Cn1cc[nH+]c1C[C@@H](O)c1ccccc1 ZINC000008709922 356367574 /nfs/dbraw/zinc/36/75/74/356367574.db2.gz YCEPULVSXKKANF-LLVKDONJSA-N 1 1 202.257 1.696 50 0 BDAAMO C[NH+](C)[C@]12CCCCC1=CCS(=O)(=O)C2 ZINC000045027686 356371940 /nfs/dbraw/zinc/37/19/40/356371940.db2.gz QMXDZASWKSKQRJ-NSHDSACASA-N 1 1 229.345 1.216 50 0 BDAAMO NC(=O)[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000361285450 181271061 /nfs/dbraw/zinc/27/10/61/181271061.db2.gz CTKZHCHATGQJON-RDBSUJKOSA-N 1 1 244.338 1.597 50 0 BDAAMO NC(=O)[C@H]1CCCC[N@H+]1CCCc1ccccc1 ZINC000065562331 181279092 /nfs/dbraw/zinc/27/90/92/181279092.db2.gz WDDGVEWKHYFYMD-CQSZACIVSA-N 1 1 246.354 1.959 50 0 BDAAMO NC(=O)[C@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000004021752 181281308 /nfs/dbraw/zinc/28/13/08/181281308.db2.gz CJILWIFEBKFTJW-RYUDHWBXSA-N 1 1 222.332 1.540 50 0 BDAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000000217802 181280388 /nfs/dbraw/zinc/28/03/88/181280388.db2.gz JNGFKCAUKGFJLP-NSHDSACASA-N 1 1 236.290 1.523 50 0 BDAAMO NC(=O)[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000000217817 181280483 /nfs/dbraw/zinc/28/04/83/181280483.db2.gz GFLFGLIJRVRQSR-LBPRGKRZSA-N 1 1 224.348 1.764 50 0 BDAAMO Cc1csc(C[N@@H+](C[C@H](O)CO)C(C)C)n1 ZINC000421008734 192299583 /nfs/dbraw/zinc/29/95/83/192299583.db2.gz ZLHAWAKRAMULCC-JTQLQIEISA-N 1 1 244.360 1.015 50 0 BDAAMO Cc1csc(C[N@H+](C[C@H](O)CO)C(C)C)n1 ZINC000421008734 192299585 /nfs/dbraw/zinc/29/95/85/192299585.db2.gz ZLHAWAKRAMULCC-JTQLQIEISA-N 1 1 244.360 1.015 50 0 BDAAMO C[N@@H+](CC(N)=O)[C@H]1CCc2ccccc21 ZINC000012921942 356618120 /nfs/dbraw/zinc/61/81/20/356618120.db2.gz DQDSARJIMWCDMJ-NSHDSACASA-N 1 1 204.273 1.091 50 0 BDAAMO C[C@H](O)[C@H]1CC[N@@H+](CC2(O)CCCCC2)C1 ZINC000095993817 538613541 /nfs/dbraw/zinc/61/35/41/538613541.db2.gz YUTBNTZMHMSKGP-RYUDHWBXSA-N 1 1 227.348 1.384 50 0 BDAAMO [NH3+][C@@H]1c2ccccc2N(CC2CC2)C1=O ZINC000016082905 356748119 /nfs/dbraw/zinc/74/81/19/356748119.db2.gz BNBCRYXRCBHAFJ-LLVKDONJSA-N 1 1 202.257 1.443 50 0 BDAAMO CCC[C@H]1CCC[N@@H+](CC2(CO)COC2)CC1 ZINC000075109099 356841204 /nfs/dbraw/zinc/84/12/04/356841204.db2.gz MQCJTJZCTMVGNB-ZDUSSCGKSA-N 1 1 241.375 1.898 50 0 BDAAMO CCc1nnc(SC[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC000191053740 357745177 /nfs/dbraw/zinc/74/51/77/357745177.db2.gz XOXLFHVFPJPWKK-MRVPVSSYSA-N 1 1 226.349 1.411 50 0 BDAAMO CCc1nc(SC[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC000191053740 357745182 /nfs/dbraw/zinc/74/51/82/357745182.db2.gz XOXLFHVFPJPWKK-MRVPVSSYSA-N 1 1 226.349 1.411 50 0 BDAAMO CCc1nc(SC[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC000191053740 357745188 /nfs/dbraw/zinc/74/51/88/357745188.db2.gz XOXLFHVFPJPWKK-MRVPVSSYSA-N 1 1 226.349 1.411 50 0 BDAAMO CCc1n[nH]c(SC[C@@H]2CC[N@H+](C)C2)n1 ZINC000191053740 357745193 /nfs/dbraw/zinc/74/51/93/357745193.db2.gz XOXLFHVFPJPWKK-MRVPVSSYSA-N 1 1 226.349 1.411 50 0 BDAAMO CCc1n[nH]c(SC[C@@H]2CC[N@@H+](C)C2)n1 ZINC000191053740 357745199 /nfs/dbraw/zinc/74/51/99/357745199.db2.gz XOXLFHVFPJPWKK-MRVPVSSYSA-N 1 1 226.349 1.411 50 0 BDAAMO CCC[N@@H+]1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000095459164 360337324 /nfs/dbraw/zinc/33/73/24/360337324.db2.gz RTQCCWNNCXKYBF-LBPRGKRZSA-N 1 1 237.347 1.820 50 0 BDAAMO CCC[N@H+]1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000095459164 360337326 /nfs/dbraw/zinc/33/73/26/360337326.db2.gz RTQCCWNNCXKYBF-LBPRGKRZSA-N 1 1 237.347 1.820 50 0 BDAAMO C[NH+](C)[C@H](CNC(=O)C1CC1)c1ccco1 ZINC000036078747 360567952 /nfs/dbraw/zinc/56/79/52/360567952.db2.gz UEAHHYKJVYXGFM-SNVBAGLBSA-N 1 1 222.288 1.409 50 0 BDAAMO C[C@@]1(c2nc3cccc(C(N)=O)c3[nH]2)CCC[NH2+]1 ZINC000036470974 361160294 /nfs/dbraw/zinc/16/02/94/361160294.db2.gz JNAHVYVRKWKWKQ-ZDUSSCGKSA-N 1 1 244.298 1.260 50 0 in-vitro BDAAMO CN(C[C@@H]1CCCC[N@H+]1C)C(=O)Cn1cccc1 ZINC000584887382 369036161 /nfs/dbraw/zinc/03/61/61/369036161.db2.gz ZBOAFKQMVVDOGU-ZDUSSCGKSA-N 1 1 249.358 1.431 50 0 BDAAMO 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Cc1nc([C@H]2CCCC[NH2+]2)ncc1C(=O)N(C)C ZINC000019686366 180055518 /nfs/dbraw/zinc/05/55/18/180055518.db2.gz BXIACJXVMXQSLG-LLVKDONJSA-N 1 1 248.330 1.301 50 0 BDAAMO C[NH+](C)[C@H](CNC(=O)C1CCC1)c1ccco1 ZINC000038629857 350319884 /nfs/dbraw/zinc/31/98/84/350319884.db2.gz DPFWOEHTGGJKFT-LLVKDONJSA-N 1 1 236.315 1.799 50 0 BDAAMO Cn1ccnc1C[NH2+][C@@H]1CCCC[C@H]1F ZINC000335631036 180748947 /nfs/dbraw/zinc/74/89/47/180748947.db2.gz KGGVFLWZLHEACH-NXEZZACHSA-N 1 1 211.284 1.790 50 0 BDAAMO CC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000046239346 353589837 /nfs/dbraw/zinc/58/98/37/353589837.db2.gz LDVHLERFCSCTGZ-UHFFFAOYSA-N 1 1 232.327 1.571 50 0 BDAAMO Cc1cc[nH+]c(N2CC[C@](O)(C(F)F)C2)c1 ZINC000334798222 354553378 /nfs/dbraw/zinc/55/33/78/354553378.db2.gz RHRWCOAXVRTSGO-LLVKDONJSA-N 1 1 228.242 1.596 50 0 BDAAMO CC(C)=CC[NH+]1CCN(C(=O)C(C)C)CC1 ZINC000040466250 358491584 /nfs/dbraw/zinc/49/15/84/358491584.db2.gz CLYAJVIPDUBZCH-UHFFFAOYSA-N 1 1 224.348 1.753 50 0 BDAAMO COC(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035174357 355864561 /nfs/dbraw/zinc/86/45/61/355864561.db2.gz UWQDGTPKIBAHGW-WDEREUQCSA-N 1 1 211.305 1.672 50 0 BDAAMO NC(=O)CC[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000040528257 181222617 /nfs/dbraw/zinc/22/26/17/181222617.db2.gz FDCYHKXTDUEFMC-SNVBAGLBSA-N 1 1 224.329 1.760 50 0 BDAAMO C[C@@H]1CC(=O)c2n(Cc3ccccc3)nc[n+]2N1 ZINC000000409681 191942865 /nfs/dbraw/zinc/94/28/65/191942865.db2.gz JJQIWJOOFKWSOY-SNVBAGLBSA-O 1 1 243.290 1.063 50 0 BDAAMO NC(=O)C[N@H+](Cc1ccco1)C1CCCC1 ZINC000052077135 181229937 /nfs/dbraw/zinc/22/99/37/181229937.db2.gz WRIIALVLZNXOSE-UHFFFAOYSA-N 1 1 222.288 1.510 50 0 BDAAMO NC(=O)C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000052077135 181229938 /nfs/dbraw/zinc/22/99/38/181229938.db2.gz WRIIALVLZNXOSE-UHFFFAOYSA-N 1 1 222.288 1.510 50 0 BDAAMO NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000010310873 181233342 /nfs/dbraw/zinc/23/33/42/181233342.db2.gz VDULILNKJGUCOM-NSHDSACASA-N 1 1 204.273 1.309 50 0 BDAAMO Cn1ccnc1[C@@H]([NH3+])c1ccc(F)c(F)c1 ZINC000013999895 356367864 /nfs/dbraw/zinc/36/78/64/356367864.db2.gz KNMUEJFWJANZDS-JTQLQIEISA-N 1 1 223.226 1.746 50 0 BDAAMO CCC[N@H+]1C[C@H](CC(C)C)NC[C@H]1CCO ZINC000072233385 356374596 /nfs/dbraw/zinc/37/45/96/356374596.db2.gz LDQDZECUPSLLRA-QWHCGFSZSA-N 1 1 228.380 1.467 50 0 BDAAMO CCCN1C[C@H](CC(C)C)[NH2+]C[C@H]1CCO ZINC000072233385 356374599 /nfs/dbraw/zinc/37/45/99/356374599.db2.gz LDQDZECUPSLLRA-QWHCGFSZSA-N 1 1 228.380 1.467 50 0 BDAAMO O=C([C@@H]1CCCC[N@H+]1CC1CC1)N1CCCC1 ZINC000095418507 538608545 /nfs/dbraw/zinc/60/85/45/538608545.db2.gz YHGCKTADJNMRDW-ZDUSSCGKSA-N 1 1 236.359 1.873 50 0 BDAAMO Cc1cnc(C[N@@H+]2CCC[C@@](C)(CO)C2)o1 ZINC000095434305 538603226 /nfs/dbraw/zinc/60/32/26/538603226.db2.gz XYHVLRITNXEIPA-GFCCVEGCSA-N 1 1 224.304 1.577 50 0 BDAAMO Cc1cnc(C[N@H+]2CCC[C@@](C)(CO)C2)o1 ZINC000095434305 538603235 /nfs/dbraw/zinc/60/32/35/538603235.db2.gz XYHVLRITNXEIPA-GFCCVEGCSA-N 1 1 224.304 1.577 50 0 BDAAMO CC[N@H+]1CCC[C@@H](CNC(=O)C2CC2)C1 ZINC000063852063 357069273 /nfs/dbraw/zinc/06/92/73/357069273.db2.gz NNSNYSPPURDXKW-JTQLQIEISA-N 1 1 210.321 1.245 50 0 BDAAMO CC[C@@H](c1ccncc1)[N@@H+](C)C[C@H]1CNC(=O)O1 ZINC000252522910 363585834 /nfs/dbraw/zinc/58/58/34/363585834.db2.gz BJQFSVUXIWCEEF-NEPJUHHUSA-N 1 1 249.314 1.573 50 0 BDAAMO C([C@@H]1CCOC1)[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000051997123 358769051 /nfs/dbraw/zinc/76/90/51/358769051.db2.gz VCDLHXWNWGLPBI-XQQFMLRXSA-N 1 1 225.332 1.666 50 0 BDAAMO CC[C@@H](O)CN1CCC[N@@H+](CC(C)C)CC1 ZINC000075741870 359982410 /nfs/dbraw/zinc/98/24/10/359982410.db2.gz CXIPSWZLGLIMPW-CYBMUJFWSA-N 1 1 228.380 1.421 50 0 BDAAMO CC[C@@H](O)C[N@@H+]1CCCN(CC(C)C)CC1 ZINC000075741870 359982414 /nfs/dbraw/zinc/98/24/14/359982414.db2.gz CXIPSWZLGLIMPW-CYBMUJFWSA-N 1 1 228.380 1.421 50 0 BDAAMO CC[C@@H](O)C[N@H+]1CCCN(CC(C)C)CC1 ZINC000075741870 359982419 /nfs/dbraw/zinc/98/24/19/359982419.db2.gz CXIPSWZLGLIMPW-CYBMUJFWSA-N 1 1 228.380 1.421 50 0 BDAAMO O=C(C[N@@H+]1CCc2ccccc2C1)NC1CC1 ZINC000035889371 360043552 /nfs/dbraw/zinc/04/35/52/360043552.db2.gz OCPCKCBMAKSKDA-UHFFFAOYSA-N 1 1 230.311 1.323 50 0 BDAAMO O=C(C[N@H+]1CCc2ccccc2C1)NC1CC1 ZINC000035889371 360043561 /nfs/dbraw/zinc/04/35/61/360043561.db2.gz OCPCKCBMAKSKDA-UHFFFAOYSA-N 1 1 230.311 1.323 50 0 BDAAMO Cc1nnc(C[NH2+][C@@H](C)[C@H](C)n2cccn2)o1 ZINC000070008617 361334209 /nfs/dbraw/zinc/33/42/09/361334209.db2.gz JQBUTONZWXNORF-IUCAKERBSA-N 1 1 235.291 1.314 50 0 BDAAMO Cc1ccc(C)c(C[N@H+](CC(N)=O)C(C)C)c1 ZINC000007443064 361710228 /nfs/dbraw/zinc/71/02/28/361710228.db2.gz COCASRKFIINZNS-UHFFFAOYSA-N 1 1 234.343 1.999 50 0 BDAAMO CC(C)[NH+]1CCC(CN2CCOCC2)CC1 ZINC000069322134 370915645 /nfs/dbraw/zinc/91/56/45/370915645.db2.gz UCVZJDPZFYOQOJ-UHFFFAOYSA-N 1 1 226.364 1.439 50 0 BDAAMO c1cnn(C[C@H]2CCC[N@H+]2C[C@H]2CCCCO2)c1 ZINC000106843343 369195246 /nfs/dbraw/zinc/19/52/46/369195246.db2.gz YMUZQQRZFXONHJ-ZIAGYGMSSA-N 1 1 249.358 1.917 50 0 BDAAMO F[C@H]1C[NH2+][C@@H](c2nc(-c3cccnc3)no2)C1 ZINC000409423016 369975639 /nfs/dbraw/zinc/97/56/39/369975639.db2.gz KRDQPUVCMBXOJV-RKDXNWHRSA-N 1 1 234.234 1.504 50 0 BDAAMO O=C1C[C@H](C[N@H+]2CCc3sccc3C2)CN1 ZINC000390828488 371239760 /nfs/dbraw/zinc/23/97/60/371239760.db2.gz RIFMJBWSEAYJFO-VIFPVBQESA-N 1 1 236.340 1.242 50 0 BDAAMO Nc1nc2ccccc2n1CC[NH+]1CCCC1 ZINC000000186853 181794087 /nfs/dbraw/zinc/79/40/87/181794087.db2.gz TWYNWMMHDUDLKS-UHFFFAOYSA-N 1 1 230.315 1.714 50 0 BDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CC(C)C ZINC000040480803 373304651 /nfs/dbraw/zinc/30/46/51/373304651.db2.gz DGRSTBAYQZQUNE-NSHDSACASA-N 1 1 212.337 1.633 50 0 BDAAMO CC(C)Cc1noc(C[NH+]2CCCC2)n1 ZINC000042665619 374282380 /nfs/dbraw/zinc/28/23/80/374282380.db2.gz UNDTWONZANGJHQ-UHFFFAOYSA-N 1 1 209.293 1.864 50 0 BDAAMO OC[C@@H]1CCC[N@H+]1Cc1cccc(F)c1F ZINC000050116759 183119573 /nfs/dbraw/zinc/11/95/73/183119573.db2.gz MDYAXSRODRUZOJ-JTQLQIEISA-N 1 1 227.254 1.922 50 0 BDAAMO OC[C@@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000000757183 183121065 /nfs/dbraw/zinc/12/10/65/183121065.db2.gz BKEJZQJWZQPDOH-JTQLQIEISA-N 1 1 227.254 1.922 50 0 BDAAMO O[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000023282325 183192602 /nfs/dbraw/zinc/19/26/02/183192602.db2.gz HBTFDMIGXUNMLN-CQSZACIVSA-N 1 1 217.312 1.611 50 0 BDAAMO O[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000100022078 183213687 /nfs/dbraw/zinc/21/36/87/183213687.db2.gz QBGJTVIWVSLDFA-WDNDVIMCSA-N 1 1 217.312 1.889 50 0 BDAAMO O[C@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC000061709323 183239401 /nfs/dbraw/zinc/23/94/01/183239401.db2.gz MXTQEVGFBGHPNN-VIFPVBQESA-N 1 1 212.680 1.302 50 0 BDAAMO O[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000061709323 183239403 /nfs/dbraw/zinc/23/94/03/183239403.db2.gz MXTQEVGFBGHPNN-VIFPVBQESA-N 1 1 212.680 1.302 50 0 BDAAMO CCCN(CCC)C(=O)C[NH+]1CCSCC1 ZINC000059038553 169142121 /nfs/dbraw/zinc/14/21/21/169142121.db2.gz SVRJPKUNVSSOFE-UHFFFAOYSA-N 1 1 244.404 1.684 50 0 BDAAMO O=c1[nH][nH]c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000044136869 183307149 /nfs/dbraw/zinc/30/71/49/183307149.db2.gz XDDWGECWOBJRNT-UHFFFAOYSA-N 1 1 229.283 1.674 50 0 BDAAMO O=c1[nH][nH]c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000044136869 183307151 /nfs/dbraw/zinc/30/71/51/183307151.db2.gz XDDWGECWOBJRNT-UHFFFAOYSA-N 1 1 229.283 1.674 50 0 BDAAMO CCCNC(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000058018050 169223005 /nfs/dbraw/zinc/22/30/05/169223005.db2.gz IUNUTYZIPHKMRS-PHIMTYICSA-N 1 1 212.337 1.491 50 0 BDAAMO c1cnn(C2C[NH+](Cc3ccccc3)C2)c1 ZINC000071879082 183396742 /nfs/dbraw/zinc/39/67/42/183396742.db2.gz NVAJDIRWAMKYDK-UHFFFAOYSA-N 1 1 213.284 1.940 50 0 BDAAMO Cc1cc(C)c(C(N)=S)c(N2CCCC2)[nH+]1 ZINC000036379946 383901457 /nfs/dbraw/zinc/90/14/57/383901457.db2.gz SKXNMPZGEUOKFN-UHFFFAOYSA-N 1 1 235.356 1.933 50 0 BDAAMO COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000004203357 384045263 /nfs/dbraw/zinc/04/52/63/384045263.db2.gz KLQYKJMMAPSQCP-YPMHNXCESA-N 1 1 233.311 1.928 50 0 BDAAMO Cc1cc(C)cc(C(=O)NN2CC[NH+](C)CC2)c1 ZINC000005014046 384094767 /nfs/dbraw/zinc/09/47/67/384094767.db2.gz SCBSNKVYYMLWEF-UHFFFAOYSA-N 1 1 247.342 1.196 50 0 BDAAMO C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000237445149 384201305 /nfs/dbraw/zinc/20/13/05/384201305.db2.gz CTGFMMOQFLSOGD-NEPJUHHUSA-N 1 1 240.347 1.267 50 0 BDAAMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)N(C)C1CC1 ZINC000071825431 384204032 /nfs/dbraw/zinc/20/40/32/384204032.db2.gz RKOZWDUXZDHYGX-VIFPVBQESA-N 1 1 210.321 1.338 50 0 BDAAMO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cccc3[nH]nnc32)C1 ZINC000072477353 384223345 /nfs/dbraw/zinc/22/33/45/384223345.db2.gz XKTZHACOLBRJIF-JGVFFNPUSA-N 1 1 245.286 1.024 50 0 BDAAMO Nc1ccc[nH+]c1NCC1CCOCC1 ZINC000042784065 384245030 /nfs/dbraw/zinc/24/50/30/384245030.db2.gz GJVPHNXNTVLBJO-UHFFFAOYSA-N 1 1 207.277 1.502 50 0 BDAAMO C[C@H]1[C@@H](O)CCC[N@H+]1CC1CC(F)(F)C1 ZINC000335376023 384282892 /nfs/dbraw/zinc/28/28/92/384282892.db2.gz QEUARENZXVLZLC-WPRPVWTQSA-N 1 1 219.275 1.877 50 0 BDAAMO CN(CC1(F)C[NH2+]C1)C(=O)OC(C)(C)C ZINC000095743415 384392533 /nfs/dbraw/zinc/39/25/33/384392533.db2.gz CDNSKNMBEBUTRW-UHFFFAOYSA-N 1 1 218.272 1.165 50 0 BDAAMO Cc1cc[nH+]c(N2CCC[C@@H]2C(=O)NC2CC2)c1 ZINC000134897692 384479849 /nfs/dbraw/zinc/47/98/49/384479849.db2.gz ZGVWJPIGDSNUAF-GFCCVEGCSA-N 1 1 245.326 1.637 50 0 BDAAMO COC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000097054160 384492732 /nfs/dbraw/zinc/49/27/32/384492732.db2.gz BOPFMTGEJBATKF-LLVKDONJSA-N 1 1 211.305 1.957 50 0 BDAAMO Cc1ccc([C@@H](C[NH3+])N2CCN(C)CC2)cc1 ZINC000019201110 384513235 /nfs/dbraw/zinc/51/32/35/384513235.db2.gz GZRKBYUICLDFCD-CQSZACIVSA-N 1 1 233.359 1.242 50 0 BDAAMO C[NH+](C)CCCn1c2ccccc2nc1CN ZINC000019734203 384535952 /nfs/dbraw/zinc/53/59/52/384535952.db2.gz QYSXQYFHVWBQKT-UHFFFAOYSA-N 1 1 232.331 1.447 50 0 BDAAMO CCc1ccc(C[NH2+]CCNC[C@H](C)O)cc1 ZINC000019370640 384519669 /nfs/dbraw/zinc/51/96/69/384519669.db2.gz LVSVHSNVCDDROX-LBPRGKRZSA-N 1 1 236.359 1.309 50 0 BDAAMO CC[N@H+]1CCN(c2cc(Cl)ncn2)[C@H](C)C1 ZINC000098213703 384606835 /nfs/dbraw/zinc/60/68/35/384606835.db2.gz ALFIOFMDQPZFPD-SECBINFHSA-N 1 1 240.738 1.660 50 0 BDAAMO CCNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000095452820 384657776 /nfs/dbraw/zinc/65/77/76/384657776.db2.gz SDPSGVJOTFDWEW-QWRGUYRKSA-N 1 1 225.336 1.132 50 0 BDAAMO CN(C)c1nc(N(C)C[C@H]2CCCO2)cc[nH+]1 ZINC000077215591 384703225 /nfs/dbraw/zinc/70/32/25/384703225.db2.gz UTGJMWSBWUCXMH-SNVBAGLBSA-N 1 1 236.319 1.158 50 0 BDAAMO c1ccc2c(c1)CC[C@H]2[NH+]1CCNCC1 ZINC000022798687 384776993 /nfs/dbraw/zinc/77/69/93/384776993.db2.gz PWOUAMWQYHOLIB-CYBMUJFWSA-N 1 1 202.301 1.579 50 0 BDAAMO CN[C@@H](c1ccncc1)[C@H]([NH2+]C)c1ccncc1 ZINC000022911695 384778916 /nfs/dbraw/zinc/77/89/16/384778916.db2.gz PQABABVPLVDKKK-OKILXGFUSA-N 1 1 242.326 1.698 50 0 in-vitro BDAAMO C[N@@H+](CC(=O)NC(C)(C)C)CC1(O)CCCC1 ZINC000084170148 384761577 /nfs/dbraw/zinc/76/15/77/384761577.db2.gz HWKWMBHLGSUDQN-UHFFFAOYSA-N 1 1 242.363 1.138 50 0 BDAAMO C[C@@H]1[NH2+]CCn2c(C3CCCC3)nnc21 ZINC000053710648 384804324 /nfs/dbraw/zinc/80/43/24/384804324.db2.gz SKGNSJFJRJUZCC-QMMMGPOBSA-N 1 1 206.293 1.600 50 0 BDAAMO [NH3+]CC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000026472416 384876730 /nfs/dbraw/zinc/87/67/30/384876730.db2.gz ZWNMRNMIZKFLBZ-ZDUSSCGKSA-N 1 1 220.316 1.236 50 0 BDAAMO CCC1(CC)N2CC3(C)C[NH+]1CC(C)(C2)C3O ZINC000019323009 384983657 /nfs/dbraw/zinc/98/36/57/384983657.db2.gz LZYMLWWBBOWCRX-UHFFFAOYSA-N 1 1 238.375 1.521 50 0 biogenic BDAAMO Cc1cnn(CCNc2cc(C)[nH+]c(C)n2)c1 ZINC000108949059 385118395 /nfs/dbraw/zinc/11/83/95/385118395.db2.gz ILWBOCUPTRMFHC-UHFFFAOYSA-N 1 1 231.303 1.710 50 0 BDAAMO Fc1ccc2nc([C@H]3CC[NH2+]C3)[nH]c2c1 ZINC000062119380 385160008 /nfs/dbraw/zinc/16/00/08/385160008.db2.gz MJEUQEMUPPAFOT-ZETCQYMHSA-N 1 1 205.236 1.779 50 0 biogenic BDAAMO CSC[C@@H](C)C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000096423478 385163435 /nfs/dbraw/zinc/16/34/35/385163435.db2.gz JGSWJUSVWMZFJJ-MNOVXSKESA-N 1 1 244.404 1.538 50 0 BDAAMO Cc1ccoc1C[N@H+](C)C[C@@H](O)COC(C)C ZINC000292084472 385210480 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/nfs/dbraw/zinc/40/51/04/386405104.db2.gz QSZGHTFUZSUKJK-UHFFFAOYSA-N 1 1 216.288 1.715 50 0 BDAAMO C[N@@H+](Cc1ccc(Cl)o1)CC(C)(CO)CO ZINC000093502486 386421090 /nfs/dbraw/zinc/42/10/90/386421090.db2.gz XXSWKNLZMJSFHY-UHFFFAOYSA-N 1 1 247.722 1.356 50 0 BDAAMO CC(C)N1CCC([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000051990730 386778997 /nfs/dbraw/zinc/77/89/97/386778997.db2.gz BFYSADBFTABSCZ-KGLIPLIRSA-N 1 1 240.391 1.752 50 0 BDAAMO Cn1cc[nH+]c1N1CCN(Cc2ccco2)CC1 ZINC000575606066 387392109 /nfs/dbraw/zinc/39/21/09/387392109.db2.gz APPAORRKJFDGPT-UHFFFAOYSA-N 1 1 246.314 1.335 50 0 BDAAMO Cc1n[nH]cc1CN[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036997033 388084900 /nfs/dbraw/zinc/08/49/00/388084900.db2.gz DOAGEVJWXYLRKG-CHWSQXEVSA-N 1 1 234.347 1.435 50 0 BDAAMO CCC[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC000195532097 388478048 /nfs/dbraw/zinc/47/80/48/388478048.db2.gz IWCAAUJPAVJZTG-WDEREUQCSA-N 1 1 201.310 1.116 50 0 BDAAMO O=C([O-])CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000070638428 388438189 /nfs/dbraw/zinc/43/81/89/388438189.db2.gz LNMNUJXMEPTXHH-UHFFFAOYSA-N 1 1 226.320 1.021 50 0 BDAAMO c1ccc(NCCC[NH+]2CCOCC2)nc1 ZINC000037382415 388677173 /nfs/dbraw/zinc/67/71/73/388677173.db2.gz BOCDYDPRUSDTNV-UHFFFAOYSA-N 1 1 221.304 1.216 50 0 BDAAMO CCc1ccccc1C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000225462943 388708525 /nfs/dbraw/zinc/70/85/25/388708525.db2.gz YYUIHEUUAIQBNR-UONOGXRCSA-N 1 1 235.327 1.177 50 0 BDAAMO CCc1ccccc1C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000225462877 388708880 /nfs/dbraw/zinc/70/88/80/388708880.db2.gz YYUIHEUUAIQBNR-KBPBESRZSA-N 1 1 235.327 1.177 50 0 BDAAMO CSCC[N@@H+](C)CCc1nccs1 ZINC000095973448 388797579 /nfs/dbraw/zinc/79/75/79/388797579.db2.gz ISONWRALDWFFSQ-UHFFFAOYSA-N 1 1 216.375 1.980 50 0 BDAAMO CC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000095399402 388765936 /nfs/dbraw/zinc/76/59/36/388765936.db2.gz ICQQCSKWIXWVLL-UHFFFAOYSA-N 1 1 210.321 1.483 50 0 BDAAMO COC(=O)[C@H]([NH2+]C[C@H]1CCOC1)C(C)(C)C ZINC000095413970 388766814 /nfs/dbraw/zinc/76/68/14/388766814.db2.gz JNGIEYURKQZNMO-ZJUUUORDSA-N 1 1 229.320 1.200 50 0 BDAAMO CO[C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000263938191 132178324 /nfs/dbraw/zinc/17/83/24/132178324.db2.gz DFBIQUMYIFBZMV-LLVKDONJSA-N 1 1 221.304 1.709 50 0 BDAAMO C[C@@H]([NH3+])c1cc(F)ccc1N1CCN(C)CC1 ZINC000019872022 132328444 /nfs/dbraw/zinc/32/84/44/132328444.db2.gz HLPGRTXQCLEWBN-SNVBAGLBSA-N 1 1 237.322 1.597 50 0 BDAAMO C[C@H]1CC[N@@H+](Cc2ccncc2F)[C@H]1CO ZINC000336217513 134137873 /nfs/dbraw/zinc/13/78/73/134137873.db2.gz GFZILJXWWGWACE-CABZTGNLSA-N 1 1 224.279 1.423 50 0 BDAAMO Cn1cc(C[N@@H+]2CCC[C@](C)(F)C2)cn1 ZINC000335364402 136095082 /nfs/dbraw/zinc/09/50/82/136095082.db2.gz XMQFORYTSAONOK-NSHDSACASA-N 1 1 211.284 1.744 50 0 BDAAMO Cn1cc(C[N@H+]2CCC[C@](C)(F)C2)cn1 ZINC000335364402 136095083 /nfs/dbraw/zinc/09/50/83/136095083.db2.gz XMQFORYTSAONOK-NSHDSACASA-N 1 1 211.284 1.744 50 0 BDAAMO C[C@@H]([NH3+])c1nnc(-c2cccc(F)c2)o1 ZINC000011586099 397931115 /nfs/dbraw/zinc/93/11/15/397931115.db2.gz BZHZJLJFGVGERU-ZCFIWIBFSA-N 1 1 207.208 1.895 50 0 BDAAMO C[N@H+](CC(N)=O)Cc1ccc(F)c2cccnc12 ZINC000051827591 398106306 /nfs/dbraw/zinc/10/63/06/398106306.db2.gz MBZTZUJQQMPKKW-UHFFFAOYSA-N 1 1 247.273 1.291 50 0 BDAAMO C[N@@H+](CC(N)=O)Cc1ccc(F)c2cccnc12 ZINC000051827591 398106309 /nfs/dbraw/zinc/10/63/09/398106309.db2.gz MBZTZUJQQMPKKW-UHFFFAOYSA-N 1 1 247.273 1.291 50 0 BDAAMO CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000035570350 168052778 /nfs/dbraw/zinc/05/27/78/168052778.db2.gz YDQYORVMGACBMI-UHFFFAOYSA-N 1 1 204.317 2.000 50 0 BDAAMO CC1=C(c2ccco2)C[N@H+](CC(N)=O)CC1 ZINC000252488206 168088544 /nfs/dbraw/zinc/08/85/44/168088544.db2.gz INIXUYUBUZCQDR-UHFFFAOYSA-N 1 1 220.272 1.244 50 0 BDAAMO CC1=C(c2ccco2)C[N@@H+](CC(N)=O)CC1 ZINC000252488206 168088546 /nfs/dbraw/zinc/08/85/46/168088546.db2.gz INIXUYUBUZCQDR-UHFFFAOYSA-N 1 1 220.272 1.244 50 0 BDAAMO CC1CCC(CO)([NH2+]CC(F)F)CC1 ZINC000053118921 168156345 /nfs/dbraw/zinc/15/63/45/168156345.db2.gz BJJZMUPYAGUZNG-UHFFFAOYSA-N 1 1 207.264 1.782 50 0 BDAAMO CCNC(=O)C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000035138949 170065069 /nfs/dbraw/zinc/06/50/69/170065069.db2.gz MBDHDPFJMNIJOR-QMMMGPOBSA-N 1 1 242.269 1.752 50 0 BDAAMO CCOC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000014807234 170207123 /nfs/dbraw/zinc/20/71/23/170207123.db2.gz PQHKGZQMAHHJTD-AOOOYVTPSA-N 1 1 215.293 1.049 50 0 BDAAMO CCOC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000014807234 170207125 /nfs/dbraw/zinc/20/71/25/170207125.db2.gz PQHKGZQMAHHJTD-AOOOYVTPSA-N 1 1 215.293 1.049 50 0 BDAAMO CCOC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000052968847 170253548 /nfs/dbraw/zinc/25/35/48/170253548.db2.gz DABYEOZXRSTEGL-NSHDSACASA-N 1 1 232.283 1.601 50 0 BDAAMO CCOC(=O)[C@]1([NH3+])Cc2ccc(F)cc2C1 ZINC000066054889 170285855 /nfs/dbraw/zinc/28/58/55/170285855.db2.gz HQSPSIKDKVRRKE-LBPRGKRZSA-N 1 1 223.247 1.185 50 0 BDAAMO CCOC(=O)c1nc2ccccn2c1C[NH+](C)C ZINC000071405438 170308344 /nfs/dbraw/zinc/30/83/44/170308344.db2.gz SPLKBKSAFFEGSI-UHFFFAOYSA-N 1 1 247.298 1.573 50 0 BDAAMO CCOC(C[N@H+]1CCS[C@H](C)C1)OCC ZINC000097094923 170316357 /nfs/dbraw/zinc/31/63/57/170316357.db2.gz KTPPETSWWDNALP-SNVBAGLBSA-N 1 1 233.377 1.823 50 0 BDAAMO CCOCC[N@@H+](C)Cc1cnc2cnccn12 ZINC000097051121 170390075 /nfs/dbraw/zinc/39/00/75/170390075.db2.gz YNEGQZUNYWIZQW-UHFFFAOYSA-N 1 1 234.303 1.198 50 0 BDAAMO CC[C@H](C)C12CN3CC(C)(C[N@@H+](C1)CC3)[C@@H]2O ZINC000019866363 171257594 /nfs/dbraw/zinc/25/75/94/171257594.db2.gz UDVYIQVABLPQMT-FEPKRQSRSA-N 1 1 238.375 1.031 50 0 BDAAMO CCn1cnnc1C[N@H+](C)CCc1ccccc1 ZINC000097742945 172234509 /nfs/dbraw/zinc/23/45/09/172234509.db2.gz DEIZQLREGSGBEZ-UHFFFAOYSA-N 1 1 244.342 1.973 50 0 BDAAMO CCn1cnnc1C[N@@H+](C)CCc1ccccc1 ZINC000097742945 172234511 /nfs/dbraw/zinc/23/45/11/172234511.db2.gz DEIZQLREGSGBEZ-UHFFFAOYSA-N 1 1 244.342 1.973 50 0 BDAAMO CN(C)C(=O)C[NH2+]Cc1ccccc1F ZINC000020053072 172369817 /nfs/dbraw/zinc/36/98/17/172369817.db2.gz NVEHOGCVTBRUNA-UHFFFAOYSA-N 1 1 210.252 1.004 50 0 BDAAMO CN(C)c1nc(N(C)Cc2ccco2)cc[nH+]1 ZINC000077486025 172583477 /nfs/dbraw/zinc/58/34/77/172583477.db2.gz PHSFBPSHZGZCPZ-UHFFFAOYSA-N 1 1 232.287 1.772 50 0 BDAAMO CN1CCC([NH2+]CCN2CCCCC2)CC1 ZINC000022455562 172995928 /nfs/dbraw/zinc/99/59/28/172995928.db2.gz ANZSFPFKKQXSPA-UHFFFAOYSA-N 1 1 225.380 1.156 50 0 BDAAMO C[N@H+]1CCCN(Cc2cccc(O)c2)CC1 ZINC000022454594 173016794 /nfs/dbraw/zinc/01/67/94/173016794.db2.gz OUOTWZJCATXKTL-UHFFFAOYSA-N 1 1 220.316 1.530 50 0 BDAAMO CN1CCC[N@H+](Cc2cccc(O)c2)CC1 ZINC000022454594 173016796 /nfs/dbraw/zinc/01/67/96/173016796.db2.gz OUOTWZJCATXKTL-UHFFFAOYSA-N 1 1 220.316 1.530 50 0 BDAAMO CN1CCC[N@@H+](Cc2cccc(O)c2)CC1 ZINC000022454594 173016799 /nfs/dbraw/zinc/01/67/99/173016799.db2.gz OUOTWZJCATXKTL-UHFFFAOYSA-N 1 1 220.316 1.530 50 0 BDAAMO C[N@H+]1CCCN(Cc2cccc(F)c2)CC1 ZINC000019536772 173017843 /nfs/dbraw/zinc/01/78/43/173017843.db2.gz STEZMSBIRVCTTH-UHFFFAOYSA-N 1 1 222.307 1.963 50 0 BDAAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccn[nH]1 ZINC000069536171 173057870 /nfs/dbraw/zinc/05/78/70/173057870.db2.gz ICQWVDOCPJTOEV-RYUDHWBXSA-N 1 1 248.330 1.109 50 0 BDAAMO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cc[nH]n1 ZINC000069536171 173057873 /nfs/dbraw/zinc/05/78/73/173057873.db2.gz ICQWVDOCPJTOEV-RYUDHWBXSA-N 1 1 248.330 1.109 50 0 BDAAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cc[nH]n1 ZINC000069536171 173057875 /nfs/dbraw/zinc/05/78/75/173057875.db2.gz ICQWVDOCPJTOEV-RYUDHWBXSA-N 1 1 248.330 1.109 50 0 BDAAMO C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000023379464 173070060 /nfs/dbraw/zinc/07/00/60/173070060.db2.gz FCXDHLZFPWXAGS-ZIAGYGMSSA-N 1 1 244.338 1.564 50 0 BDAAMO C[NH+]1CCN(CCCc2ccccc2)CC1 ZINC000019634185 173082416 /nfs/dbraw/zinc/08/24/16/173082416.db2.gz VDMPTTZAUYEXDG-UHFFFAOYSA-N 1 1 218.344 1.867 50 0 BDAAMO C[NH+]1CCN(P2(=O)CC=CC2)CC1 ZINC000057638235 173092354 /nfs/dbraw/zinc/09/23/54/173092354.db2.gz GWSHVKDSOZLZAE-UHFFFAOYSA-N 1 1 200.222 1.082 50 0 BDAAMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)NC2CC2)C1 ZINC000230104182 173181799 /nfs/dbraw/zinc/18/17/99/173181799.db2.gz RBQPCKGABHTGPA-UONOGXRCSA-N 1 1 244.338 1.610 50 0 BDAAMO CNC(=O)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000016420675 173275528 /nfs/dbraw/zinc/27/55/28/173275528.db2.gz MNSUAUBXNRISPM-MRVPVSSYSA-N 1 1 224.329 1.413 50 0 BDAAMO CNC(=O)C[N@H+]1CCc2sccc2[C@H]1C ZINC000016420675 173275529 /nfs/dbraw/zinc/27/55/29/173275529.db2.gz MNSUAUBXNRISPM-MRVPVSSYSA-N 1 1 224.329 1.413 50 0 BDAAMO COCC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000040541013 174049364 /nfs/dbraw/zinc/04/93/64/174049364.db2.gz AHIUQUKVWJYNCT-TXEJJXNPSA-N 1 1 242.363 1.117 50 0 BDAAMO COCC[N@H+](Cc1ccc(C)o1)C[C@H](C)O ZINC000035717707 174299629 /nfs/dbraw/zinc/29/96/29/174299629.db2.gz BRKNLAUKOYPSFT-JTQLQIEISA-N 1 1 227.304 1.417 50 0 BDAAMO COc1ccc(-c2c[nH+]c(N)nc2N)cc1 ZINC000016623186 175036591 /nfs/dbraw/zinc/03/65/91/175036591.db2.gz YAYRKDXDLKNBKG-UHFFFAOYSA-N 1 1 216.244 1.317 50 0 BDAAMO COc1ccc(C[N@H+]2CCC[C@H]2CO)cc1C ZINC000023280688 175100069 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388480005 /nfs/dbraw/zinc/48/00/05/388480005.db2.gz ICYRHIUXZZPXCL-UHFFFAOYSA-N 1 1 222.332 1.607 50 0 BDAAMO CN(C)CCC[NH2+]CCOc1ccccc1 ZINC000002822321 388480007 /nfs/dbraw/zinc/48/00/07/388480007.db2.gz ICYRHIUXZZPXCL-UHFFFAOYSA-N 1 1 222.332 1.607 50 0 BDAAMO Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])n[nH]1 ZINC000070378887 388435669 /nfs/dbraw/zinc/43/56/69/388435669.db2.gz KEDKFWVWTBEAIX-MWLCHTKSSA-N 1 1 236.319 1.060 50 0 BDAAMO Cc1cc(=O)c(O)c(C[NH+]2CCCCC2)o1 ZINC000070666198 388438888 /nfs/dbraw/zinc/43/88/88/388438888.db2.gz CUBQYAUDOIVNDG-UHFFFAOYSA-N 1 1 223.272 1.640 50 0 biogenic BDAAMO c1ccc(CN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000147226295 388684835 /nfs/dbraw/zinc/68/48/35/388684835.db2.gz YKUAUELLNOWIHE-CYBMUJFWSA-N 1 1 204.317 1.918 50 0 BDAAMO CN(C)c1nc(N(C)CC2CC2)cc[nH+]1 ZINC000095960963 388796046 /nfs/dbraw/zinc/79/60/46/388796046.db2.gz IFLHNQMLZRSDNW-UHFFFAOYSA-N 1 1 206.293 1.389 50 0 BDAAMO CC[N@H+](CC(=O)O[C@H]1CCC[C@@H]1OC)C1CC1 ZINC000096013426 388803298 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/nfs/dbraw/zinc/01/68/06/170016806.db2.gz POVQSJUDYBHBQB-LLVKDONJSA-N 1 1 208.305 1.711 50 0 BDAAMO c1cc(CN[C@H]2CCC[N@H+]3CCCC[C@H]23)n[nH]1 ZINC000655855157 411537932 /nfs/dbraw/zinc/53/79/32/411537932.db2.gz DBESMMQDQGOTIH-QWHCGFSZSA-N 1 1 234.347 1.516 50 0 BDAAMO c1cc(C[NH2+][C@H]2CCCN3CCCC[C@H]23)n[nH]1 ZINC000655855157 411537935 /nfs/dbraw/zinc/53/79/35/411537935.db2.gz DBESMMQDQGOTIH-QWHCGFSZSA-N 1 1 234.347 1.516 50 0 BDAAMO CCOC(=O)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000019850402 170240035 /nfs/dbraw/zinc/24/00/35/170240035.db2.gz XTUSUBACDGCSGD-LBPRGKRZSA-N 1 1 234.299 1.789 50 0 BDAAMO CCOC(=O)[C@@H]([NH3+])Cc1ccc(Cl)cc1 ZINC000053993659 170253386 /nfs/dbraw/zinc/25/33/86/170253386.db2.gz ASDQNFHVGOPSDD-JTQLQIEISA-N 1 1 227.691 1.773 50 0 BDAAMO CCOC(=O)[C@@H]([NH3+])Cc1cccc(Cl)c1 ZINC000061892943 170254014 /nfs/dbraw/zinc/25/40/14/170254014.db2.gz QTHLSDYADYGHRH-JTQLQIEISA-N 1 1 227.691 1.773 50 0 BDAAMO CCOC(C[N@H+]1CC[C@@H](C)[C@H](O)C1)OCC ZINC000097161687 170316395 /nfs/dbraw/zinc/31/63/95/170316395.db2.gz KROHTBUACNHGNK-GHMZBOCLSA-N 1 1 231.336 1.088 50 0 BDAAMO CCOC(C[N@H+]1CC[C@@H](C)[C@@H](O)C1)OCC ZINC000221862644 170316474 /nfs/dbraw/zinc/31/64/74/170316474.db2.gz KROHTBUACNHGNK-MNOVXSKESA-N 1 1 231.336 1.088 50 0 BDAAMO CNc1cc(C=CC2CCCCC2)[nH+]c(N)n1 ZINC000426490217 411898944 /nfs/dbraw/zinc/89/89/44/411898944.db2.gz LIUYAZBMGRLRBL-BQYQJAHWSA-N 1 1 232.331 2.116 50 0 BDAAMO CC[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)CCS1 ZINC000245339311 171095615 /nfs/dbraw/zinc/09/56/15/171095615.db2.gz RXESVYREDFPZJP-ZJUUUORDSA-N 1 1 228.361 1.045 50 0 BDAAMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cccn1C ZINC000066150160 171306298 /nfs/dbraw/zinc/30/62/98/171306298.db2.gz JVYARAKGPYCUPG-NSHDSACASA-N 1 1 237.347 1.485 50 0 BDAAMO CCc1[nH+]ccn1CCCNC(=O)CSC ZINC000219402337 172026354 /nfs/dbraw/zinc/02/63/54/172026354.db2.gz HQYGKUCDSNKSCM-UHFFFAOYSA-N 1 1 241.360 1.315 50 0 BDAAMO CCc1nnc(C[NH+]2CCC(C)CC2)o1 ZINC000054115069 172047875 /nfs/dbraw/zinc/04/78/75/172047875.db2.gz HZGQXPCRIMEAOJ-UHFFFAOYSA-N 1 1 209.293 1.864 50 0 BDAAMO CCc1noc([C@@H](C)N2CC[NH+](CC)CC2)n1 ZINC000044265680 172088860 /nfs/dbraw/zinc/08/88/60/172088860.db2.gz DYMQXFGMVRWXOL-SNVBAGLBSA-N 1 1 238.335 1.331 50 0 BDAAMO CCN1c2ccccc2[N@@H+](CC(C)=O)C1=N ZINC000367828548 172130533 /nfs/dbraw/zinc/13/05/33/172130533.db2.gz IHRHPTWCZICKSW-UHFFFAOYSA-N 1 1 217.272 1.531 50 0 BDAAMO CCN1c2ccccc2[N@H+](CC(C)=O)C1=N ZINC000367828548 172130536 /nfs/dbraw/zinc/13/05/36/172130536.db2.gz IHRHPTWCZICKSW-UHFFFAOYSA-N 1 1 217.272 1.531 50 0 BDAAMO C[N@@H+](CC(=O)NC(C)(C)C)C1CCCC1 ZINC000053435385 172606025 /nfs/dbraw/zinc/60/60/25/172606025.db2.gz HFTXMLLOYOHCPE-UHFFFAOYSA-N 1 1 212.337 1.776 50 0 BDAAMO C[N@H+]1CCC[C@@H](OC(=O)c2ccccc2)C1 ZINC000039203853 173023930 /nfs/dbraw/zinc/02/39/30/173023930.db2.gz YWDRCXARSAQKAK-GFCCVEGCSA-N 1 1 219.284 1.938 50 0 BDAAMO C[NH+]1CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000004799003 173068964 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/nfs/dbraw/zinc/51/09/87/487510987.db2.gz SQHMXBNYAWEQIR-JSGCOSHPSA-N 1 1 248.374 1.634 50 0 BDAAMO CCCC[C@@H](C(=O)OC)[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000388232257 520985740 /nfs/dbraw/zinc/98/57/40/520985740.db2.gz SEMILKGADUGKNI-QWRGUYRKSA-N 1 1 243.347 1.421 50 0 BDAAMO CCC[C@H](C)C[N@@H+](CC)[C@H]1CCS(=O)(=O)C1 ZINC000244718822 521018755 /nfs/dbraw/zinc/01/87/55/521018755.db2.gz LRHRDGXGBPGTCY-RYUDHWBXSA-N 1 1 247.404 1.932 50 0 BDAAMO C[N@@H+](CCn1cc(Cl)cn1)CC(C)(C)CO ZINC000244795819 522999862 /nfs/dbraw/zinc/99/98/62/522999862.db2.gz ROGMYUUWDROMAH-UHFFFAOYSA-N 1 1 245.754 1.487 50 0 BDAAMO CC[C@@H]1C[N@@H+]([C@H]2C[C@H](C)OC2=O)CCS1 ZINC000247831611 523470091 /nfs/dbraw/zinc/47/00/91/523470091.db2.gz LRAMHLWRVWAHMF-AEJSXWLSSA-N 1 1 229.345 1.518 50 0 BDAAMO CC[C@@H]1C[N@H+]([C@H]2C[C@H](C)OC2=O)CCS1 ZINC000247831611 523470098 /nfs/dbraw/zinc/47/00/98/523470098.db2.gz LRAMHLWRVWAHMF-AEJSXWLSSA-N 1 1 229.345 1.518 50 0 BDAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]2CCCO2)C1 ZINC000248765666 524227767 /nfs/dbraw/zinc/22/77/67/524227767.db2.gz OFDHKJCTKNUNHD-VXGBXAGGSA-N 1 1 240.347 1.014 50 0 BDAAMO C[C@@H]1CC[C@H]([NH2+]C[C@@](C)(O)CN(C)C)C[C@H]1C ZINC000239475417 524702844 /nfs/dbraw/zinc/70/28/44/524702844.db2.gz AOCAKCXXIXRELJ-YIYPIFLZSA-N 1 1 242.407 1.713 50 0 BDAAMO CN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000006639098 536424659 /nfs/dbraw/zinc/42/46/59/536424659.db2.gz ODBJBJTVNVZQJV-UHFFFAOYSA-N 1 1 227.311 1.987 50 0 BDAAMO CCC[C@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC000075011226 583974592 /nfs/dbraw/zinc/97/45/92/583974592.db2.gz IWCAAUJPAVJZTG-QWRGUYRKSA-N 1 1 201.310 1.116 50 0 BDAAMO C=CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000863970897 589330058 /nfs/dbraw/zinc/33/00/58/589330058.db2.gz YUHFAAKWLMVQFL-MNOVXSKESA-N 1 1 208.305 1.306 50 0 BDAAMO C=CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000863971480 589330562 /nfs/dbraw/zinc/33/05/62/589330562.db2.gz VCGJISYCQXHBSO-OCCSQVGLSA-N 1 1 230.311 1.734 50 0 BDAAMO CC[C@H](CO)[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000864234616 589348452 /nfs/dbraw/zinc/34/84/52/589348452.db2.gz XVMRVYQBQKNYRE-LLVKDONJSA-N 1 1 234.299 1.212 50 0 BDAAMO CC[C@H](CO)[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000864234616 589348454 /nfs/dbraw/zinc/34/84/54/589348454.db2.gz XVMRVYQBQKNYRE-LLVKDONJSA-N 1 1 234.299 1.212 50 0 BDAAMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(F)CC1 ZINC000881607888 591255186 /nfs/dbraw/zinc/25/51/86/591255186.db2.gz BZYAWVSCBXVOHL-JTQLQIEISA-N 1 1 214.284 1.041 50 0 BDAAMO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2cccn2C)C1 ZINC000097095345 631270774 /nfs/dbraw/zinc/27/07/74/631270774.db2.gz YTHJJLBPWDUKND-NEPJUHHUSA-N 1 1 222.332 1.618 50 0 BDAAMO CCCc1ccc2c(n1)CC[C@@H]([N@@H+](C)CCO)C2 ZINC000299804019 635892090 /nfs/dbraw/zinc/89/20/90/635892090.db2.gz RBIDOPLTLSFMJB-CQSZACIVSA-N 1 1 248.370 1.816 50 0 BDAAMO C[C@H]1CCC[N@H+]([C@@H]2CN3CCC2CC3)C1 ZINC000022455861 642470495 /nfs/dbraw/zinc/47/04/95/642470495.db2.gz MDRYBUFXERNVDE-WCQYABFASA-N 1 1 208.349 1.813 50 0 BDAAMO OC[C@@H]1CCC[N@H+]1CC1(O)CCCCC1 ZINC000083585937 643537327 /nfs/dbraw/zinc/53/73/27/643537327.db2.gz MAMCHOHLVLEYIB-NSHDSACASA-N 1 1 213.321 1.138 50 0 BDAAMO C[C@H]1CCC[N@H+]([C@H]2CN3CCC2CC3)C1 ZINC000019359587 645764928 /nfs/dbraw/zinc/76/49/28/645764928.db2.gz MDRYBUFXERNVDE-AAEUAGOBSA-N 1 1 208.349 1.813 50 0 BDAAMO C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000379859840 712617896 /nfs/dbraw/zinc/61/78/96/712617896.db2.gz LNLKVPVDTXSGAY-SNVBAGLBSA-N 1 1 203.245 1.036 50 0 BDAAMO CC[N@H+](Cc1cnc(OC)nc1)CC1CC1 ZINC000823082065 968538175 /nfs/dbraw/zinc/53/81/75/968538175.db2.gz STIBKMNIZASUJA-UHFFFAOYSA-N 1 1 221.304 1.717 50 0 BDAAMO CCCc1nc(N(C)C[C@@H]2CCC[N@H+]2C)no1 ZINC000823023336 968539587 /nfs/dbraw/zinc/53/95/87/968539587.db2.gz OSLIJGDIIVZPKQ-JTQLQIEISA-N 1 1 238.335 1.553 50 0 BDAAMO CC[N@H+]1CCC[C@@H]1CN1CCc2nc(C)[nH]c2C1 ZINC000823110183 968539984 /nfs/dbraw/zinc/53/99/84/968539984.db2.gz IDOLDFZDUKPLDI-GFCCVEGCSA-N 1 1 248.374 1.561 50 0 BDAAMO CCc1[nH+]ccn1CCC(=O)NCc1ccoc1 ZINC000823557529 968550850 /nfs/dbraw/zinc/55/08/50/968550850.db2.gz SSNXOOOFAOQODL-UHFFFAOYSA-N 1 1 247.298 1.745 50 0 BDAAMO CNC(=O)[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000823813503 968560776 /nfs/dbraw/zinc/56/07/76/968560776.db2.gz KXEOZQJHSVQDQE-NSHDSACASA-N 1 1 206.289 1.344 50 0 BDAAMO CNC(=O)C[C@H]1CC[N@@H+](Cc2ccoc2)C1 ZINC000823821100 968561023 /nfs/dbraw/zinc/56/10/23/968561023.db2.gz TZPVMSRRACMOJW-SNVBAGLBSA-N 1 1 222.288 1.238 50 0 BDAAMO Cc1nc(C2CC[NH+]([C@@H]3CCOC3)CC2)n[nH]1 ZINC000825261530 968639445 /nfs/dbraw/zinc/63/94/45/968639445.db2.gz DGPIOPVEWPSSPN-LLVKDONJSA-N 1 1 236.319 1.081 50 0 BDAAMO Cc1nnc(C2CC[NH+]([C@@H]3CCOC3)CC2)[nH]1 ZINC000825261530 968639449 /nfs/dbraw/zinc/63/94/49/968639449.db2.gz DGPIOPVEWPSSPN-LLVKDONJSA-N 1 1 236.319 1.081 50 0 BDAAMO Cc1nc(C2CC[NH+]([C@H]3CCOC3)CC2)n[nH]1 ZINC000825261531 968640771 /nfs/dbraw/zinc/64/07/71/968640771.db2.gz DGPIOPVEWPSSPN-NSHDSACASA-N 1 1 236.319 1.081 50 0 BDAAMO Cc1nnc(C2CC[NH+]([C@H]3CCOC3)CC2)[nH]1 ZINC000825261531 968640777 /nfs/dbraw/zinc/64/07/77/968640777.db2.gz DGPIOPVEWPSSPN-NSHDSACASA-N 1 1 236.319 1.081 50 0 BDAAMO Cc1c[nH+]c(CCNC(=O)C2CC2)n1C1CCC1 ZINC000581816081 969128551 /nfs/dbraw/zinc/12/85/51/969128551.db2.gz XWUMHCGTDJXWPH-UHFFFAOYSA-N 1 1 247.342 1.985 50 0 BDAAMO Cc1cc(C[N@H+]2CC[C@@H](c3nc(C)no3)C2)on1 ZINC000329072312 178000059 /nfs/dbraw/zinc/00/00/59/178000059.db2.gz ZKEILAUWAPLYHS-SNVBAGLBSA-N 1 1 248.286 1.664 50 0 BDAAMO Cc1cc(C[NH2+][C@H](C)[C@H](C)n2cccn2)no1 ZINC000071882145 178037526 /nfs/dbraw/zinc/03/75/26/178037526.db2.gz VFEPETGPTWDOIG-MNOVXSKESA-N 1 1 234.303 1.919 50 0 BDAAMO CC[C@H](O)C[N@H+]1CCCC[C@@H](CCOC)C1 ZINC000241409005 398160419 /nfs/dbraw/zinc/16/04/19/398160419.db2.gz NDTVNWDDWNUDHF-STQMWFEESA-N 1 1 229.364 1.896 50 0 BDAAMO Cc1cnc([C@@H](C)[NH2+]CC2OCCO2)s1 ZINC000097112417 398237245 /nfs/dbraw/zinc/23/72/45/398237245.db2.gz WETODDFLRLTNET-MRVPVSSYSA-N 1 1 228.317 1.475 50 0 BDAAMO CC[C@@H](C(=O)OCc1cccnc1)[NH+](C)C ZINC000097117223 398242450 /nfs/dbraw/zinc/24/24/50/398242450.db2.gz BCOAZLVMAPWVRO-NSHDSACASA-N 1 1 222.288 1.465 50 0 BDAAMO C[NH+]1CCC(NCc2ccncc2)CC1 ZINC000000280434 342682162 /nfs/dbraw/zinc/68/21/62/342682162.db2.gz KBQJZXOYBNRYDN-UHFFFAOYSA-N 1 1 205.305 1.265 50 0 BDAAMO NNc1nc(C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000002554055 342723847 /nfs/dbraw/zinc/72/38/47/342723847.db2.gz SXLHMFGZWJPBDF-UHFFFAOYSA-N 1 1 218.182 1.658 50 0 BDAAMO C[C@H](C(N)=O)[N@H+](C)CCOc1ccccc1F ZINC000016422785 342910386 /nfs/dbraw/zinc/91/03/86/342910386.db2.gz FBOREEBVLRJPMV-SECBINFHSA-N 1 1 240.278 1.010 50 0 BDAAMO C[C@H](C(N)=O)[N@@H+](C)CCOc1ccccc1F ZINC000016422785 342910388 /nfs/dbraw/zinc/91/03/88/342910388.db2.gz FBOREEBVLRJPMV-SECBINFHSA-N 1 1 240.278 1.010 50 0 BDAAMO Cc1cnn(C[C@H](C)[NH2+]Cc2cscn2)c1 ZINC000069490226 398330225 /nfs/dbraw/zinc/33/02/25/398330225.db2.gz UJSAPYPKLFRWCL-JTQLQIEISA-N 1 1 236.344 1.826 50 0 BDAAMO COC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000020220561 342977650 /nfs/dbraw/zinc/97/76/50/342977650.db2.gz VQFYMVFFAJJYOL-UHFFFAOYSA-N 1 1 248.326 1.613 50 0 BDAAMO Cc1ccc(CN2CCN(C)[C@@H](CCO)C2)o1 ZINC000020912299 342998451 /nfs/dbraw/zinc/99/84/51/342998451.db2.gz YYMGKCIHRLHNCI-LBPRGKRZSA-N 1 1 238.331 1.086 50 0 BDAAMO O=C1N=CN=C2CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000039698265 343125937 /nfs/dbraw/zinc/12/59/37/343125937.db2.gz UUBYONJHDUREIJ-LBPRGKRZSA-N 1 1 241.294 1.518 50 0 BDAAMO O=C1N=CN=C2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000039698265 343125940 /nfs/dbraw/zinc/12/59/40/343125940.db2.gz UUBYONJHDUREIJ-LBPRGKRZSA-N 1 1 241.294 1.518 50 0 BDAAMO C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000034255583 343267719 /nfs/dbraw/zinc/26/77/19/343267719.db2.gz HHSQLKWLJFVEAT-ZDUSSCGKSA-N 1 1 204.317 1.857 50 0 BDAAMO O=c1[nH]ccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000044136871 343493033 /nfs/dbraw/zinc/49/30/33/343493033.db2.gz RGSOMLGEDNNJIO-UHFFFAOYSA-N 1 1 240.306 1.933 50 0 BDAAMO C[N@H+]1CC=C(c2ccccc2)[C@H](CO)C1 ZINC000000525626 346977473 /nfs/dbraw/zinc/97/74/73/346977473.db2.gz XEKJYZSYCTXLJX-LBPRGKRZSA-N 1 1 203.285 1.624 50 0 biogenic BDAAMO Cc1cc[nH+]c(N2CCO[C@H](CF)C2)c1 ZINC000334658584 343899391 /nfs/dbraw/zinc/89/93/91/343899391.db2.gz IWQCCXRXOUYSMS-SNVBAGLBSA-N 1 1 210.252 1.565 50 0 BDAAMO CC[N@@H+]1CCC[C@H]1CNCc1ccncc1 ZINC000095223303 344333819 /nfs/dbraw/zinc/33/38/19/344333819.db2.gz DGPJTESPWRLSFV-ZDUSSCGKSA-N 1 1 219.332 1.656 50 0 BDAAMO CC[N@H+]1CCC[C@H]1CNCc1ccncc1 ZINC000095223303 344333821 /nfs/dbraw/zinc/33/38/21/344333821.db2.gz DGPJTESPWRLSFV-ZDUSSCGKSA-N 1 1 219.332 1.656 50 0 BDAAMO Cc1ccc(F)c(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000084933946 178672960 /nfs/dbraw/zinc/67/29/60/178672960.db2.gz WEDPBVRSZJGXJV-LLVKDONJSA-N 1 1 209.264 1.701 50 0 BDAAMO OC[C@@H]1CCCN1C[C@H]1CCC[N@H+]1CC1CC1 ZINC000252510973 345537479 /nfs/dbraw/zinc/53/74/79/345537479.db2.gz CMYSWGZBOWGVBG-KGLIPLIRSA-N 1 1 238.375 1.318 50 0 BDAAMO OC[C@@H]1CCC[N@@H+]1C[C@H]1CCCN1CC1CC1 ZINC000252510973 345537481 /nfs/dbraw/zinc/53/74/81/345537481.db2.gz CMYSWGZBOWGVBG-KGLIPLIRSA-N 1 1 238.375 1.318 50 0 BDAAMO OC[C@@H]1CCC[N@H+]1C[C@H]1CCCN1CC1CC1 ZINC000252510973 345537484 /nfs/dbraw/zinc/53/74/84/345537484.db2.gz CMYSWGZBOWGVBG-KGLIPLIRSA-N 1 1 238.375 1.318 50 0 BDAAMO C[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000685939516 537928992 /nfs/dbraw/zinc/92/89/92/537928992.db2.gz NFLYKUNPBFDIJV-HTOAHKCRSA-N 1 1 248.370 1.585 50 0 BDAAMO Cn1cnc(C[NH2+]Cc2ccsc2)c1 ZINC000308567744 537965126 /nfs/dbraw/zinc/96/51/26/537965126.db2.gz IPULGGTWSZNVCL-UHFFFAOYSA-N 1 1 207.302 1.771 50 0 BDAAMO C[NH+]1CC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC000219305782 350015968 /nfs/dbraw/zinc/01/59/68/350015968.db2.gz UKJRVIMFXWMTMH-UHFFFAOYSA-N 1 1 212.293 1.169 50 0 BDAAMO Cc1[nH+]ccn1C[C@H](O)COc1ccccc1 ZINC000000072634 180269718 /nfs/dbraw/zinc/26/97/18/180269718.db2.gz RHTXCFRIEYHAHM-LBPRGKRZSA-N 1 1 232.283 1.631 50 0 BDAAMO Cc1[nH+]ccn1C[C@H]1CCCN1c1cnccn1 ZINC000170615800 180270341 /nfs/dbraw/zinc/27/03/41/180270341.db2.gz MQYWKMWPNDBHJH-GFCCVEGCSA-N 1 1 243.314 1.651 50 0 BDAAMO CC1(C)[NH2+]CCN(Cc2ccccc2)C1=O ZINC000082476351 187447581 /nfs/dbraw/zinc/44/75/81/187447581.db2.gz UENYRKBSPZZMIT-UHFFFAOYSA-N 1 1 218.300 1.397 50 0 BDAAMO C[C@@H]1C[C@@H](NC[C@@H]2CCCn3cc[nH+]c32)C(=O)O1 ZINC000089920136 362965403 /nfs/dbraw/zinc/96/54/03/362965403.db2.gz IULSKNDQQOQFKD-OUAUKWLOSA-N 1 1 249.314 1.054 50 0 BDAAMO CC(=O)Nc1cccc(NC(=O)C[NH+](C)C)c1 ZINC000003159911 188100742 /nfs/dbraw/zinc/10/07/42/188100742.db2.gz CIGNPIMAHXEZAC-UHFFFAOYSA-N 1 1 235.287 1.145 50 0 BDAAMO C[N@@H+](C1CCS(=O)(=O)CC1)[C@@H]1C=CCCC1 ZINC000079469700 538110632 /nfs/dbraw/zinc/11/06/32/538110632.db2.gz OFOJBGZVJPJGAL-LLVKDONJSA-N 1 1 243.372 1.604 50 0 BDAAMO CC(C)C[C@H](C)[N@@H+](C)C[C@H](O)CN1CCCC1 ZINC000048366630 188152877 /nfs/dbraw/zinc/15/28/77/188152877.db2.gz DETCWKVGBDEISD-KBPBESRZSA-N 1 1 242.407 1.810 50 0 BDAAMO C([C@@H]1CCOC1)[N@H+]1CCCSCC1 ZINC000095441988 188187271 /nfs/dbraw/zinc/18/72/71/188187271.db2.gz 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1.179 50 0 BDAAMO NC(=O)C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000096441564 181232669 /nfs/dbraw/zinc/23/26/69/181232669.db2.gz DXDPHXUORYFDCX-ZDUSSCGKSA-N 1 1 248.326 1.010 50 0 BDAAMO NC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000028962143 181265874 /nfs/dbraw/zinc/26/58/74/181265874.db2.gz STPCMKBXSFJGCV-GFCCVEGCSA-N 1 1 236.290 1.838 50 0 BDAAMO NC(=O)[C@@H]1CCC[N@H+]1CCc1cccs1 ZINC000071847155 181269867 /nfs/dbraw/zinc/26/98/67/181269867.db2.gz JMXPCNCHNANSMA-JTQLQIEISA-N 1 1 224.329 1.240 50 0 BDAAMO C[C@H]1CC[N@@H+](Cc2ccncc2F)[C@@H]1CO ZINC000336217514 134137820 /nfs/dbraw/zinc/13/78/20/134137820.db2.gz GFZILJXWWGWACE-JOYOIKCWSA-N 1 1 224.279 1.423 50 0 BDAAMO C[C@@H](O)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000013008435 538784873 /nfs/dbraw/zinc/78/48/73/538784873.db2.gz NVJATWLYUZOFEA-DGCLKSJQSA-N 1 1 221.300 1.441 50 0 BDAAMO CCCn1nnnc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000040465730 357510719 /nfs/dbraw/zinc/51/07/19/357510719.db2.gz PRSNWUHRTZFPSF-PHIMTYICSA-N 1 1 237.351 1.561 50 0 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/nfs/dbraw/zinc/39/55/00/641395500.db2.gz DWUWHZMQUOHVPX-WDEREUQCSA-N 1 1 249.358 1.273 50 0 BDAAMO c1c[nH]c([C@H]2CCC[N@@H+](C3CCOCC3)C2)n1 ZINC000352344977 642200680 /nfs/dbraw/zinc/20/06/80/642200680.db2.gz IFQIBCBNYCOWCF-NSHDSACASA-N 1 1 235.331 1.768 50 0 BDAAMO CN(CC[N@@H+](C)C1CCCC1)C(=O)c1cc[nH]c1 ZINC000952986140 644447939 /nfs/dbraw/zinc/44/79/39/644447939.db2.gz XCEHNYIBISCVFU-UHFFFAOYSA-N 1 1 249.358 1.961 50 0 BDAAMO CCC[N@H+]1CC[C@H](Nc2cc(C#N)ccn2)C1 ZINC000389446929 711079726 /nfs/dbraw/zinc/07/97/26/711079726.db2.gz PFWHGYIYZGZBFG-LBPRGKRZSA-N 1 1 230.315 1.849 50 0 BDAAMO CCCc1nc(N(C)C[C@H]2CCC[N@H+]2C)no1 ZINC000823023337 968540330 /nfs/dbraw/zinc/54/03/30/968540330.db2.gz OSLIJGDIIVZPKQ-SNVBAGLBSA-N 1 1 238.335 1.553 50 0 BDAAMO NC(=O)[C@@H]1CC[N@@H+](C[C@H]2CCc3ccccc32)C1 ZINC000584908465 972033746 /nfs/dbraw/zinc/03/37/46/972033746.db2.gz QEZGWMUSHYHKNK-CHWSQXEVSA-N 1 1 244.338 1.524 50 0 BDAAMO CC[N@@H+]1CCCC[C@H]1CNc1ccnc(CO)c1 ZINC000585092853 972131831 /nfs/dbraw/zinc/13/18/31/972131831.db2.gz QNCFKMNHLYQWOM-AWEZNQCLSA-N 1 1 249.358 1.860 50 0 BDAAMO CC[N@H+]1CCCC[C@H]1CNc1ccnc(CO)c1 ZINC000585092853 972131840 /nfs/dbraw/zinc/13/18/40/972131840.db2.gz QNCFKMNHLYQWOM-AWEZNQCLSA-N 1 1 249.358 1.860 50 0 BDAAMO CCSCC[N@@H+]1[C@H](C)C(=O)N[C@H](C)[C@H]1C ZINC000585116940 972147357 /nfs/dbraw/zinc/14/73/57/972147357.db2.gz MTZWSNJXBDXZGM-OPRDCNLKSA-N 1 1 230.377 1.337 50 0 BDAAMO Cc1cc(CN(C)CCc2[nH+]ccn2C)no1 ZINC001506340641 964322368 /nfs/dbraw/zinc/32/23/68/964322368.db2.gz MVEQKTPJVZUJPW-UHFFFAOYSA-N 1 1 234.303 1.391 50 0 BDAAMO CC[N@H+]1CCC[C@@H](Nc2noc(C3CC3)n2)C1 ZINC000823109894 968538309 /nfs/dbraw/zinc/53/83/09/968538309.db2.gz UGYNYONAOCKCMG-SNVBAGLBSA-N 1 1 236.319 1.843 50 0 BDAAMO Cc1cc(C[N@@H+](C)C[C@H]2CCC(=O)O2)ccn1 ZINC000823714965 968556042 /nfs/dbraw/zinc/55/60/42/968556042.db2.gz CSBFXZVCAHTYEX-GFCCVEGCSA-N 1 1 234.299 1.527 50 0 BDAAMO Cc1c[nH+]c(NCCc2c[nH]cn2)nc1N(C)C ZINC000200578398 970127187 /nfs/dbraw/zinc/12/71/87/970127187.db2.gz FZPCPJYKXRVGJI-UHFFFAOYSA-N 1 1 246.318 1.229 50 0 BDAAMO C[N@H+]1CC[C@@H](Oc2ncccc2Cl)C1 ZINC000585655005 973926225 /nfs/dbraw/zinc/92/62/25/973926225.db2.gz QJGANOLASJKIRP-MRVPVSSYSA-N 1 1 212.680 1.818 50 0 BDAAMO CC[C@@H](C(=O)NCC1CCC1)[N@@H+](C)CC ZINC000952867835 974067814 /nfs/dbraw/zinc/06/78/14/974067814.db2.gz TVBHELLRKRHBQK-NSHDSACASA-N 1 1 212.337 1.633 50 0 BDAAMO C[N@H+]1CC[C@H](Nc2cnc3ccccc3n2)C1 ZINC000048738724 983044565 /nfs/dbraw/zinc/04/45/65/983044565.db2.gz DVSXOYNBMHQPBW-JTQLQIEISA-N 1 1 228.299 1.746 50 0 BDAAMO CCc1[nH+]ccn1C[C@@H](C)N(C)Cc1ncc[nH]1 ZINC001506400633 988772336 /nfs/dbraw/zinc/77/23/36/988772336.db2.gz OJEXDYLPUJXZNX-LLVKDONJSA-N 1 1 247.346 1.689 50 0 BDAAMO Cc1cc(C)n(C[C@@H](C)[N@H+](C)Cc2cc[nH]n2)n1 ZINC001506417521 988779479 /nfs/dbraw/zinc/77/94/79/988779479.db2.gz MQQGNMKDNGDTOE-GFCCVEGCSA-N 1 1 247.346 1.744 50 0 BDAAMO Cc1cc(C)n(C[C@@H](C)[N@@H+](C)Cc2cc[nH]n2)n1 ZINC001506417521 988779491 /nfs/dbraw/zinc/77/94/91/988779491.db2.gz MQQGNMKDNGDTOE-GFCCVEGCSA-N 1 1 247.346 1.744 50 0 BDAAMO CCCC[N@@H+]1C[C@@H](Cc2cc(C)n[nH]2)[C@H](O)C1 ZINC001529119531 990332565 /nfs/dbraw/zinc/33/25/65/990332565.db2.gz XOROHJONLQSLLL-DGCLKSJQSA-N 1 1 237.347 1.353 50 0 BDAAMO CCCC[N@H+]1C[C@@H](Cc2cc(C)[nH]n2)[C@H](O)C1 ZINC001529119531 990332574 /nfs/dbraw/zinc/33/25/74/990332574.db2.gz XOROHJONLQSLLL-DGCLKSJQSA-N 1 1 237.347 1.353 50 0 BDAAMO CCCC[N@@H+]1C[C@@H](Cc2cc(C)[nH]n2)[C@H](O)C1 ZINC001529119531 990332580 /nfs/dbraw/zinc/33/25/80/990332580.db2.gz XOROHJONLQSLLL-DGCLKSJQSA-N 1 1 237.347 1.353 50 0 BDAAMO Cn1nccc1C[NH+]1CC(c2ccncc2)C1 ZINC001529189766 990339292 /nfs/dbraw/zinc/33/92/92/990339292.db2.gz YATRYYLPJVUCCG-UHFFFAOYSA-N 1 1 228.299 1.415 50 0 BDAAMO CC[C@H](O)C[N@H+]1CCCC[C@H](CCOC)C1 ZINC000241409004 398160225 /nfs/dbraw/zinc/16/02/25/398160225.db2.gz NDTVNWDDWNUDHF-OLZOCXBDSA-N 1 1 229.364 1.896 50 0 BDAAMO CC(=O)N1CC[C@H](C[N@H+](C)C[C@@H]2C[C@@H]2C)C1 ZINC000221936362 192026907 /nfs/dbraw/zinc/02/69/07/192026907.db2.gz ANHIYMXWLVCGTF-UHTWSYAYSA-N 1 1 224.348 1.443 50 0 BDAAMO CC[C@H]1C[N@@H+](CCOC(=O)N(C)C)CCS1 ZINC000097109165 398237951 /nfs/dbraw/zinc/23/79/51/398237951.db2.gz YGOGDMUBVIFPFJ-JTQLQIEISA-N 1 1 246.376 1.512 50 0 BDAAMO Cc1cc2nc(NN)[nH+]c(C)c2cc1C ZINC000004702724 178302495 /nfs/dbraw/zinc/30/24/95/178302495.db2.gz WPXCDBFZESVJIG-UHFFFAOYSA-N 1 1 202.261 1.841 50 0 BDAAMO C[NH+]1CCC(NCc2ccc3c(c2)OCO3)CC1 ZINC000000280639 342682195 /nfs/dbraw/zinc/68/21/95/342682195.db2.gz PMZJBCZZCJVNPS-UHFFFAOYSA-N 1 1 248.326 1.599 50 0 BDAAMO Cc1c(C(=O)C[NH+](C)C)c2cc(O)ccc2n1C ZINC000000406376 342686971 /nfs/dbraw/zinc/68/69/71/342686971.db2.gz ROIPYQYYWXBKAA-UHFFFAOYSA-N 1 1 246.310 1.937 50 0 biogenic BDAAMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000004202915 342743928 /nfs/dbraw/zinc/74/39/28/342743928.db2.gz GDWFCUOFVSNTTG-GFCCVEGCSA-N 1 1 219.284 1.682 50 0 BDAAMO NNc1nc(C(F)F)cc(C2CC2)[nH+]1 ZINC000002554186 342723729 /nfs/dbraw/zinc/72/37/29/342723729.db2.gz KAUDBIDUNQLYCR-UHFFFAOYSA-N 1 1 200.192 1.577 50 0 BDAAMO COC(=O)CCCn1cc[nH+]c1C(C)C ZINC000037287092 361871576 /nfs/dbraw/zinc/87/15/76/361871576.db2.gz OADZVWDNIKVNFT-UHFFFAOYSA-N 1 1 210.277 1.960 50 0 BDAAMO C[N@@H+](C[C@H]1CCOC1)C1CSCCSC1 ZINC000584885612 342775005 /nfs/dbraw/zinc/77/50/05/342775005.db2.gz ACCPCQUHFOVLCP-SNVBAGLBSA-N 1 1 247.429 1.803 50 0 BDAAMO O=S1(=O)CC[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC000006559583 342779449 /nfs/dbraw/zinc/77/94/49/342779449.db2.gz INXWCIPPADGGFT-SNVBAGLBSA-N 1 1 243.303 1.102 50 0 BDAAMO Cc1ccc2nc(N3CC[NH2+]CC3)[nH]c2c1 ZINC000008701157 342802831 /nfs/dbraw/zinc/80/28/31/342802831.db2.gz LRMBCDPHCKDMHP-UHFFFAOYSA-N 1 1 216.288 1.281 50 0 BDAAMO Nc1cccc(OCCC[NH+]2CCOCC2)c1 ZINC000019731946 342789319 /nfs/dbraw/zinc/78/93/19/342789319.db2.gz CLOMNCVMQMUQGG-UHFFFAOYSA-N 1 1 236.315 1.370 50 0 BDAAMO C[C@H]([NH3+])c1nnc(-c2cccc(F)c2)o1 ZINC000011586101 342789916 /nfs/dbraw/zinc/78/99/16/342789916.db2.gz BZHZJLJFGVGERU-LURJTMIESA-N 1 1 207.208 1.895 50 0 BDAAMO CCCC[N@@H+](C)[C@H](C(N)=O)c1ccccc1 ZINC000029118072 342790215 /nfs/dbraw/zinc/79/02/15/342790215.db2.gz PGPBEDCNQQEDML-LBPRGKRZSA-N 1 1 220.316 1.945 50 0 BDAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(N)=O ZINC000012653394 342856084 /nfs/dbraw/zinc/85/60/84/342856084.db2.gz RODFWRRWTVZHGA-WCQYABFASA-N 1 1 245.326 1.681 50 0 biogenic BDAAMO CC[NH+](CC)CCNC(=O)c1n[nH]cc1Cl ZINC000032611216 342855388 /nfs/dbraw/zinc/85/53/88/342855388.db2.gz OAKBJDYDKLJBEH-UHFFFAOYSA-N 1 1 244.726 1.135 50 0 BDAAMO C[C@]1(c2ccccc2)CCC[N@@H+](CCC(N)=O)C1 ZINC000091965265 398304281 /nfs/dbraw/zinc/30/42/81/398304281.db2.gz HIGUWDNQTQIIQS-HNNXBMFYSA-N 1 1 246.354 1.916 50 0 BDAAMO Cc1n[nH]cc1C[NH2+]Cc1cn2ccsc2n1 ZINC000097160103 398318948 /nfs/dbraw/zinc/31/89/48/398318948.db2.gz SUWHKRZOTRDHMU-UHFFFAOYSA-N 1 1 247.327 1.717 50 0 BDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000015020973 342890729 /nfs/dbraw/zinc/89/07/29/342890729.db2.gz BPRMDAOAWMQXAJ-SNVBAGLBSA-N 1 1 228.336 1.995 50 0 BDAAMO CN1CCC([NH2+]Cc2ccccn2)CC1 ZINC000016189029 342907868 /nfs/dbraw/zinc/90/78/68/342907868.db2.gz SCFPQNGHMLSYHX-UHFFFAOYSA-N 1 1 205.305 1.265 50 0 BDAAMO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)NC ZINC000016420425 342910294 /nfs/dbraw/zinc/91/02/94/342910294.db2.gz PLHVJJFHTBJGPU-JTQLQIEISA-N 1 1 238.356 1.803 50 0 BDAAMO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)NC ZINC000016420425 342910295 /nfs/dbraw/zinc/91/02/95/342910295.db2.gz PLHVJJFHTBJGPU-JTQLQIEISA-N 1 1 238.356 1.803 50 0 BDAAMO Fc1cccc(C[NH2+]Cc2cc[nH]n2)c1 ZINC000036900287 342912946 /nfs/dbraw/zinc/91/29/46/342912946.db2.gz JHUIMVOICWFURE-UHFFFAOYSA-N 1 1 205.236 1.839 50 0 BDAAMO Cc1ccc(NC(=O)[C@@H]2CSC[NH2+]2)cc1C ZINC000019473211 342949009 /nfs/dbraw/zinc/94/90/09/342949009.db2.gz GNSYAICODWDDRV-NSHDSACASA-N 1 1 236.340 1.904 50 0 BDAAMO Fc1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000019607544 342952114 /nfs/dbraw/zinc/95/21/14/342952114.db2.gz DZPJXEVGSIJYMR-UHFFFAOYSA-N 1 1 239.290 1.927 50 0 BDAAMO OC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000005770852 343054787 /nfs/dbraw/zinc/05/47/87/343054787.db2.gz UEKCCTGUWXNLDT-LBPRGKRZSA-N 1 1 249.310 1.620 50 0 BDAAMO CC[N@@H+]1CCC[C@@H]1CNCc1ccco1 ZINC000032496993 343236053 /nfs/dbraw/zinc/23/60/53/343236053.db2.gz NJRQALNDVRORSR-LLVKDONJSA-N 1 1 208.305 1.854 50 0 BDAAMO CC[N@H+]1CCC[C@@H]1CNCc1ccco1 ZINC000032496993 343236055 /nfs/dbraw/zinc/23/60/55/343236055.db2.gz NJRQALNDVRORSR-LLVKDONJSA-N 1 1 208.305 1.854 50 0 BDAAMO CCN1CCC([N@H+]2CCC[C@@H](CO)C2)CC1 ZINC000000280469 343269541 /nfs/dbraw/zinc/26/95/41/343269541.db2.gz KIDHIAQSMIHXPR-GFCCVEGCSA-N 1 1 226.364 1.175 50 0 BDAAMO Cc1cn2c3ccccc3[nH+]c2n1CCCO ZINC000002472475 343270743 /nfs/dbraw/zinc/27/07/43/343270743.db2.gz PCWDHVNLAPVIJW-UHFFFAOYSA-N 1 1 229.283 1.980 50 0 BDAAMO CC[N@H+](CCN(C)C)Cc1ccc(O)cc1 ZINC000022455571 343272529 /nfs/dbraw/zinc/27/25/29/343272529.db2.gz KZYXTRLKERTDLD-UHFFFAOYSA-N 1 1 222.332 1.776 50 0 BDAAMO CC[N@@H+](CCN(C)C)Cc1ccc(O)cc1 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/nfs/dbraw/zinc/92/02/04/384920204.db2.gz BSRABLAVRKDCRM-ZDUSSCGKSA-N 1 1 216.328 1.665 50 0 BDAAMO C[NH+](C)CCC[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000057322213 384937790 /nfs/dbraw/zinc/93/77/90/384937790.db2.gz DQISETCAQHQQLN-UHFFFAOYSA-N 1 1 236.315 1.426 50 0 BDAAMO COC[C@H](O)C[N@@H+](C)Cc1c(C)cccc1C ZINC000096424648 385165171 /nfs/dbraw/zinc/16/51/71/385165171.db2.gz KLMZJUMJCDFJGR-CYBMUJFWSA-N 1 1 237.343 1.743 50 0 BDAAMO CCS[C@H]1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC000096441705 385168297 /nfs/dbraw/zinc/16/82/97/385168297.db2.gz ZBXZXYBPSXPNKN-BDAKNGLRSA-N 1 1 216.350 1.078 50 0 BDAAMO C[C@@H](Cc1ccccn1)[N@H+](C)Cc1ncc[nH]1 ZINC000065429742 385310029 /nfs/dbraw/zinc/31/00/29/385310029.db2.gz KFNOHILNHWFVBG-NSHDSACASA-N 1 1 230.315 1.868 50 0 BDAAMO C[C@@H](Cc1ccccn1)[N@@H+](C)Cc1ncc[nH]1 ZINC000065429742 385310032 /nfs/dbraw/zinc/31/00/32/385310032.db2.gz KFNOHILNHWFVBG-NSHDSACASA-N 1 1 230.315 1.868 50 0 BDAAMO COC[C@@H]1CCC[N@H+]1Cc1cc(OC)ccn1 ZINC000154490584 385330655 /nfs/dbraw/zinc/33/06/55/385330655.db2.gz FULBXCLNQSXIQA-LBPRGKRZSA-N 1 1 236.315 1.701 50 0 BDAAMO c1cn(C[C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)cn1 ZINC000216546568 385868503 /nfs/dbraw/zinc/86/85/03/385868503.db2.gz GQOIXIXHFLESDJ-GFCCVEGCSA-N 1 1 245.330 1.518 50 0 BDAAMO c1cn(C[C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)cn1 ZINC000216546568 385868508 /nfs/dbraw/zinc/86/85/08/385868508.db2.gz GQOIXIXHFLESDJ-GFCCVEGCSA-N 1 1 245.330 1.518 50 0 BDAAMO c1cn(C[C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)cn1 ZINC000216546568 385868512 /nfs/dbraw/zinc/86/85/12/385868512.db2.gz GQOIXIXHFLESDJ-GFCCVEGCSA-N 1 1 245.330 1.518 50 0 BDAAMO CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CCCO2)CC1 ZINC000032541446 385984904 /nfs/dbraw/zinc/98/49/04/385984904.db2.gz QETWGALKWRVLME-CQSZACIVSA-N 1 1 240.391 1.970 50 0 BDAAMO CC(C)[NH+]1CCC(N(C)C[C@H]2CCCO2)CC1 ZINC000032541446 385984915 /nfs/dbraw/zinc/98/49/15/385984915.db2.gz QETWGALKWRVLME-CQSZACIVSA-N 1 1 240.391 1.970 50 0 BDAAMO CC(C)N1CCC([N@H+](C)C[C@H]2CCCO2)CC1 ZINC000032541446 385984919 /nfs/dbraw/zinc/98/49/19/385984919.db2.gz QETWGALKWRVLME-CQSZACIVSA-N 1 1 240.391 1.970 50 0 BDAAMO CC(C)N1CCC([N@@H+](C)C[C@H]2CCCO2)CC1 ZINC000032541446 385984927 /nfs/dbraw/zinc/98/49/27/385984927.db2.gz QETWGALKWRVLME-CQSZACIVSA-N 1 1 240.391 1.970 50 0 BDAAMO CCc1cc(N[C@@H]2CC[S@](=O)C2)nc(C)[nH+]1 ZINC000393736074 386016864 /nfs/dbraw/zinc/01/68/64/386016864.db2.gz BOSZRUWQWCRCKN-HWPZZCPQSA-N 1 1 239.344 1.280 50 0 BDAAMO CCc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC)C2)[nH]1 ZINC000223167284 386078406 /nfs/dbraw/zinc/07/84/06/386078406.db2.gz BJWFYFDFGDFCDS-GFCCVEGCSA-N 1 1 249.358 1.791 50 0 BDAAMO CN(C)C[C@H]1C[N@H+](CC2CCCC2)CCO1 ZINC000075133136 386984719 /nfs/dbraw/zinc/98/47/19/386984719.db2.gz MUHVJCIWALFETQ-ZDUSSCGKSA-N 1 1 226.364 1.439 50 0 BDAAMO CN(C)C[C@H]1C[N@@H+](CC2CCCC2)CCO1 ZINC000075133136 386984721 /nfs/dbraw/zinc/98/47/21/386984721.db2.gz MUHVJCIWALFETQ-ZDUSSCGKSA-N 1 1 226.364 1.439 50 0 BDAAMO CCc1cc(N[C@H](C(N)=O)C(C)C)nc(C)[nH+]1 ZINC000227866915 387057452 /nfs/dbraw/zinc/05/74/52/387057452.db2.gz UHWBSMKGKNEJFP-NSHDSACASA-N 1 1 236.319 1.269 50 0 BDAAMO Cc1cc(CN2CC[NH+](C)CC2)c(C)[nH]1 ZINC000022875023 387149103 /nfs/dbraw/zinc/14/91/03/387149103.db2.gz XXTLPBYHKDCOHH-UHFFFAOYSA-N 1 1 207.321 1.379 50 0 BDAAMO C[C@H](C(N)=O)[N@H+]1C[C@H]2CCCCCC[C@@H]21 ZINC000369450156 387196357 /nfs/dbraw/zinc/19/63/57/387196357.db2.gz BOZRNHAQKWLPIJ-MXWKQRLJSA-N 1 1 210.321 1.515 50 0 BDAAMO CC(C)(C)NC1=[NH+]CCN=C1c1ccncc1 ZINC000075566674 387292820 /nfs/dbraw/zinc/29/28/20/387292820.db2.gz AIQZJDHQPLIWAS-UHFFFAOYSA-N 1 1 230.315 1.671 50 0 BDAAMO COC(=O)c1ccoc1C[N@H+]1CC[C@H](C)C1 ZINC000075581978 387295818 /nfs/dbraw/zinc/29/58/18/387295818.db2.gz DSYGVSNVJRDYII-VIFPVBQESA-N 1 1 223.272 1.908 50 0 BDAAMO C[C@H]1CC(=O)c2n(Cc3ccccc3)nc[n+]2N1 ZINC000101015452 387298057 /nfs/dbraw/zinc/29/80/57/387298057.db2.gz JJQIWJOOFKWSOY-JTQLQIEISA-O 1 1 243.290 1.063 50 0 BDAAMO C([C@@H]1CCCO1)[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000076710123 387451008 /nfs/dbraw/zinc/45/10/08/387451008.db2.gz ANHZODBVTUMFQD-AVGNSLFASA-N 1 1 225.332 1.809 50 0 BDAAMO CN(C)C[C@@](C)(O)C[NH2+][C@H]1CCCC1(C)C ZINC000090778310 387455945 /nfs/dbraw/zinc/45/59/45/387455945.db2.gz JXTGBXPGZWPMGC-AAEUAGOBSA-N 1 1 228.380 1.467 50 0 BDAAMO Cn1nccc1C[N@@H+](C)C1CCOCC1 ZINC000347497347 387993080 /nfs/dbraw/zinc/99/30/80/387993080.db2.gz YTFVCUPBNQNPMH-UHFFFAOYSA-N 1 1 209.293 1.031 50 0 BDAAMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCOCCO ZINC000075837654 388356875 /nfs/dbraw/zinc/35/68/75/388356875.db2.gz AEKYJAVJPHURDG-UPJWGTAASA-N 1 1 227.348 1.648 50 0 BDAAMO CC[C@H]1CCCC[N@H+]1CC(=O)NC(C)C ZINC000057828823 388368118 /nfs/dbraw/zinc/36/81/18/388368118.db2.gz ZOLBMLNQTXXNHL-NSHDSACASA-N 1 1 212.337 1.776 50 0 BDAAMO CC(C)[N@H+](CCO)[C@H](C)c1nc(C2CC2)no1 ZINC000089869588 388369702 /nfs/dbraw/zinc/36/97/02/388369702.db2.gz PLJHLSMZAOQGQR-SECBINFHSA-N 1 1 239.319 1.711 50 0 BDAAMO CC(C)[N@@H+](CCO)[C@H](C)c1nc(C2CC2)no1 ZINC000089869588 388369703 /nfs/dbraw/zinc/36/97/03/388369703.db2.gz PLJHLSMZAOQGQR-SECBINFHSA-N 1 1 239.319 1.711 50 0 BDAAMO C[NH+](C)CCCNC[C@H](O)c1ccccc1 ZINC000002295536 388593376 /nfs/dbraw/zinc/59/33/76/388593376.db2.gz AHAMEVHMSNMAHB-ZDUSSCGKSA-N 1 1 222.332 1.261 50 0 BDAAMO CN(C)CCC[NH2+]C[C@H](O)c1ccccc1 ZINC000002295536 388593377 /nfs/dbraw/zinc/59/33/77/388593377.db2.gz AHAMEVHMSNMAHB-ZDUSSCGKSA-N 1 1 222.332 1.261 50 0 BDAAMO CCNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000246091505 388616720 /nfs/dbraw/zinc/61/67/20/388616720.db2.gz VEZMAIZBAWLWCC-MNOVXSKESA-N 1 1 227.352 1.378 50 0 BDAAMO CC(C)(C)OC(=O)[C@@H](N)[C@H]1CC[C@H](C[NH3+])CC1 ZINC000248163305 388674398 /nfs/dbraw/zinc/67/43/98/388674398.db2.gz MZBQCNOLQJOBNJ-DCAQKATOSA-N 1 1 242.363 1.421 50 0 BDAAMO CSCC[C@@H](C)[N@@H+](C)C[C@@H](O)CSC ZINC000230145322 388634915 /nfs/dbraw/zinc/63/49/15/388634915.db2.gz SUZYDANAZUAQSX-NXEZZACHSA-N 1 1 237.434 1.784 50 0 BDAAMO Cc1noc(C)c1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037408366 388758955 /nfs/dbraw/zinc/75/89/55/388758955.db2.gz MWBGWRCKXKXMNE-LBPRGKRZSA-N 1 1 249.358 1.865 50 0 BDAAMO CC1(C)C[N@@H+](Cc2cccs2)C[C@H]1O ZINC000279739207 388774446 /nfs/dbraw/zinc/77/44/46/388774446.db2.gz KJOZWSRKXPBVAA-SNVBAGLBSA-N 1 1 211.330 1.951 50 0 BDAAMO COC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1cc[nH]n1)C2 ZINC000097084964 388832646 /nfs/dbraw/zinc/83/26/46/388832646.db2.gz RGCFPWAAAUUQPS-ZWNOBZJWSA-N 1 1 249.314 1.185 50 0 BDAAMO Cc1cccc(N2CCN(CCC[NH3+])C[C@@H]2C)c1 ZINC000045796277 132355056 /nfs/dbraw/zinc/35/50/56/132355056.db2.gz BEJBDSYKNRUYOV-AWEZNQCLSA-N 1 1 247.386 1.854 50 0 BDAAMO C[C@H](F)CC[N@@H+]1CCOC[C@@]12CCOC2 ZINC000335794425 133909790 /nfs/dbraw/zinc/90/97/90/133909790.db2.gz RCXOWWNNPJEQQN-QWRGUYRKSA-N 1 1 217.284 1.226 50 0 BDAAMO C[C@H](F)CC[N@H+]1CCOC[C@@]12CCOC2 ZINC000335794425 133909791 /nfs/dbraw/zinc/90/97/91/133909791.db2.gz RCXOWWNNPJEQQN-QWRGUYRKSA-N 1 1 217.284 1.226 50 0 BDAAMO CC(C)OCCC[N@H+]1CCC[C@@H](CCO)C1 ZINC000095351197 167213149 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411537700 /nfs/dbraw/zinc/53/77/00/411537700.db2.gz DBESMMQDQGOTIH-OLZOCXBDSA-N 1 1 234.347 1.516 50 0 BDAAMO c1cc(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)n[nH]1 ZINC000655855156 411537701 /nfs/dbraw/zinc/53/77/01/411537701.db2.gz DBESMMQDQGOTIH-OLZOCXBDSA-N 1 1 234.347 1.516 50 0 BDAAMO c1cc(CN[C@H]2CCC[N@H+]3CCCC[C@@H]23)n[nH]1 ZINC000655855158 411537768 /nfs/dbraw/zinc/53/77/68/411537768.db2.gz DBESMMQDQGOTIH-STQMWFEESA-N 1 1 234.347 1.516 50 0 BDAAMO c1cc(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)n[nH]1 ZINC000655855158 411537769 /nfs/dbraw/zinc/53/77/69/411537769.db2.gz DBESMMQDQGOTIH-STQMWFEESA-N 1 1 234.347 1.516 50 0 BDAAMO CCOC(=O)[C@H]([NH3+])C1(OCC)CCCC1 ZINC000075110757 170274185 /nfs/dbraw/zinc/27/41/85/170274185.db2.gz ILSJPTXNHKTIDD-VIFPVBQESA-N 1 1 215.293 1.226 50 0 biogenic BDAAMO CCOC(=O)[C@H]([NH3+])Cc1ccccc1Cl ZINC000061892889 170274727 /nfs/dbraw/zinc/27/47/27/170274727.db2.gz GYVDIWKDFAXBGV-SNVBAGLBSA-N 1 1 227.691 1.773 50 0 BDAAMO CCOC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000048580809 170279523 /nfs/dbraw/zinc/27/95/23/170279523.db2.gz GWYHGMXRVCSETJ-RYUDHWBXSA-N 1 1 241.331 1.441 50 0 BDAAMO CCOC(=O)[C@]1([NH3+])C[C@@H]1c1ccccc1 ZINC000075422376 170285725 /nfs/dbraw/zinc/28/57/25/170285725.db2.gz DXQQKLKCMSJJEX-PWSUYJOCSA-N 1 1 205.257 1.435 50 0 BDAAMO CCOC(=O)c1cccc(C[N@@H+](C)CCO)c1 ZINC000036108832 170298633 /nfs/dbraw/zinc/29/86/33/170298633.db2.gz APGCIFZSWAFVPR-UHFFFAOYSA-N 1 1 237.299 1.287 50 0 BDAAMO CCOCC[N@H+]1CCCC[C@@H]1[C@@H](O)CC ZINC000071920057 170398508 /nfs/dbraw/zinc/39/85/08/170398508.db2.gz ZHHJFRXPADBSCU-NEPJUHHUSA-N 1 1 215.337 1.648 50 0 BDAAMO COc1ccc(-c2ccc(N)[nH+]c2C)c(OC)n1 ZINC000426551069 411916800 /nfs/dbraw/zinc/91/68/00/411916800.db2.gz HUYNBNQAZVMODE-UHFFFAOYSA-N 1 1 245.282 2.051 50 0 BDAAMO CC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1F)C(N)=O ZINC000079029485 170912484 /nfs/dbraw/zinc/91/24/84/170912484.db2.gz ONJBGZVEMLQRBU-RDDDGLTNSA-N 1 1 242.269 1.879 50 0 BDAAMO CC[C@@H]1C[N@@H+]([C@@H]2C[C@@H](C)OC2=O)CCS1 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1 1 212.318 1.672 50 0 BDAAMO CCCc1cc(NCc2nnc(C)[nH]2)nc(C)[nH+]1 ZINC000065533189 388085001 /nfs/dbraw/zinc/08/50/01/388085001.db2.gz GBXXMLNRQUJVCA-UHFFFAOYSA-N 1 1 246.318 1.776 50 0 BDAAMO CC[N@H+]1CCC[C@@H](NC(=O)c2ccn(C)c2C)C1 ZINC000195246053 388150731 /nfs/dbraw/zinc/15/07/31/388150731.db2.gz JELAMTOVWNNVJB-GFCCVEGCSA-N 1 1 249.358 1.548 50 0 BDAAMO CCCCNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000357763332 388394622 /nfs/dbraw/zinc/39/46/22/388394622.db2.gz RBKGPSXOQYSEMV-LLVKDONJSA-N 1 1 239.363 1.736 50 0 BDAAMO CC1(C)C[C@]2(CCC[N@H+](CCN)C2)CCO1 ZINC000038193804 388401925 /nfs/dbraw/zinc/40/19/25/388401925.db2.gz YIECCTMCXLWQKT-ZDUSSCGKSA-N 1 1 226.364 1.616 50 0 biogenic BDAAMO CC1(C)C[C@]2(CCC[N@@H+](CCN)C2)CCO1 ZINC000038193804 388401927 /nfs/dbraw/zinc/40/19/27/388401927.db2.gz YIECCTMCXLWQKT-ZDUSSCGKSA-N 1 1 226.364 1.616 50 0 biogenic BDAAMO CC(C)[N@@H+](C)CCCNC(=O)[C@H]1C[C@@H]1C ZINC000041926573 388440961 /nfs/dbraw/zinc/44/09/61/388440961.db2.gz 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1 1 248.374 1.423 50 0 BDAAMO Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)nc1 ZINC000253370500 388589338 /nfs/dbraw/zinc/58/93/38/388589338.db2.gz RPEBZGZNPBHAER-QWHCGFSZSA-N 1 1 234.343 1.983 50 0 BDAAMO CCC[C@H]1CCC[N@@H+](C[C@@H](O)COCC)C1 ZINC000107517214 388602977 /nfs/dbraw/zinc/60/29/77/388602977.db2.gz XDIKIVYATUGJNT-QWHCGFSZSA-N 1 1 229.364 1.896 50 0 BDAAMO Cc1noc(C)c1CN1CC[NH+](C)CC1 ZINC000020218952 388757833 /nfs/dbraw/zinc/75/78/33/388757833.db2.gz QLUJCWSEFYIRLK-UHFFFAOYSA-N 1 1 209.293 1.039 50 0 BDAAMO COC[C@H](O)C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000126221609 388822904 /nfs/dbraw/zinc/82/29/04/388822904.db2.gz XPQVLDFQGLIDLT-WDEREUQCSA-N 1 1 241.306 1.826 50 0 BDAAMO COC[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ncc(C)o1 ZINC000284716320 388828995 /nfs/dbraw/zinc/82/89/95/388828995.db2.gz SADKZCJTGQPXQB-QWRGUYRKSA-N 1 1 240.303 1.219 50 0 BDAAMO COC[C@@H]1C[C@H](OC)C[N@H+]1Cc1ncc(C)o1 ZINC000284716320 388829001 /nfs/dbraw/zinc/82/90/01/388829001.db2.gz SADKZCJTGQPXQB-QWRGUYRKSA-N 1 1 240.303 1.219 50 0 BDAAMO CC[NH+]1CCN(c2ccc(C=O)cc2)CC1 ZINC000002563697 132315224 /nfs/dbraw/zinc/31/52/24/132315224.db2.gz UXVDOPUAJVRFDG-UHFFFAOYSA-N 1 1 218.300 1.641 50 0 BDAAMO CC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000039341962 132223362 /nfs/dbraw/zinc/22/33/62/132223362.db2.gz PMTGTBYLXXKGLO-UHFFFAOYSA-N 1 1 233.315 1.495 50 0 BDAAMO Cc1nc[nH]c1C[N@H+](C)CCCc1cnn(C)c1 ZINC000067851416 134398223 /nfs/dbraw/zinc/39/82/23/134398223.db2.gz FKRIMBKMCKBRJP-UHFFFAOYSA-N 1 1 247.346 1.516 50 0 BDAAMO C[C@@H](F)CC[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000334394759 135387474 /nfs/dbraw/zinc/38/74/74/135387474.db2.gz BHQDSFYMSVFHDP-YMTOWFKASA-N 1 1 221.341 1.577 50 0 BDAAMO C[C@@H](F)CC[N@H+]1CC[S@@](=O)CC1(C)C ZINC000334394759 135387476 /nfs/dbraw/zinc/38/74/76/135387476.db2.gz BHQDSFYMSVFHDP-YMTOWFKASA-N 1 1 221.341 1.577 50 0 BDAAMO C[NH+]1CCN(C(=O)[C@H]2CCC[C@H](F)C2)CC1 ZINC000335560380 136105949 /nfs/dbraw/zinc/10/59/49/136105949.db2.gz CBMLTOWRQHJJRJ-QWRGUYRKSA-N 1 1 228.311 1.289 50 0 BDAAMO CCCc1noc(Cn2cc[nH+]c2C)n1 ZINC000065224645 397941840 /nfs/dbraw/zinc/94/18/40/397941840.db2.gz NNSIKZIKLZDUMD-UHFFFAOYSA-N 1 1 206.249 1.575 50 0 BDAAMO COC(=O)CC[N@H+]1CCc2sccc2C1 ZINC000020362773 397900109 /nfs/dbraw/zinc/90/01/09/397900109.db2.gz KXSDGSFOMLIQPR-UHFFFAOYSA-N 1 1 225.313 1.669 50 0 BDAAMO CC(C)Oc1cccc(C[N@H+](C)CC(N)=O)c1 ZINC000051827601 167305158 /nfs/dbraw/zinc/30/51/58/167305158.db2.gz LZDAXHPIKPVYAM-UHFFFAOYSA-N 1 1 236.315 1.391 50 0 BDAAMO CC(C)Oc1cccc(C[N@@H+](C)CC(N)=O)c1 ZINC000051827601 167305161 /nfs/dbraw/zinc/30/51/61/167305161.db2.gz LZDAXHPIKPVYAM-UHFFFAOYSA-N 1 1 236.315 1.391 50 0 BDAAMO Cc1noc(C[N@H+](C[C@@H]2CCOC2)C2CC2)n1 ZINC000044937934 411142417 /nfs/dbraw/zinc/14/24/17/411142417.db2.gz DMDFEEXQNGTYJZ-JTQLQIEISA-N 1 1 237.303 1.379 50 0 BDAAMO Cc1noc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)n1 ZINC000044937934 411142418 /nfs/dbraw/zinc/14/24/18/411142418.db2.gz DMDFEEXQNGTYJZ-JTQLQIEISA-N 1 1 237.303 1.379 50 0 BDAAMO CC(C)c1[nH+]ccn1[C@@H](C)Cn1cncn1 ZINC000071551754 167695572 /nfs/dbraw/zinc/69/55/72/167695572.db2.gz QUEBBLUBAROWRK-JTQLQIEISA-N 1 1 219.292 1.859 50 0 BDAAMO CC[C@H]1CCCC[N@H+]1CC(=O)NCCOC ZINC000048419010 411196790 /nfs/dbraw/zinc/19/67/90/411196790.db2.gz WWGPUDDDBQMVKE-NSHDSACASA-N 1 1 228.336 1.014 50 0 BDAAMO CC[N@@H+](C)CCNC(=O)Nc1ncccc1C ZINC000049337567 411231480 /nfs/dbraw/zinc/23/14/80/411231480.db2.gz XGLCFPCDZAYNGS-UHFFFAOYSA-N 1 1 236.319 1.463 50 0 BDAAMO CC(C)C[N@@H+](C)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000049442768 411238648 /nfs/dbraw/zinc/23/86/48/411238648.db2.gz XMSJOPDSPHRECI-UHFFFAOYSA-N 1 1 249.318 1.157 50 0 BDAAMO Cc1n[nH]c(C)c1CC[N@H+](C)Cc1cnccn1 ZINC000299762365 411488152 /nfs/dbraw/zinc/48/81/52/411488152.db2.gz VOUHOCMSHSGYGQ-UHFFFAOYSA-N 1 1 245.330 1.491 50 0 BDAAMO CCOC(=O)CCCC[N@H+]1CCC[C@@H](OC)C1 ZINC000095399803 170199585 /nfs/dbraw/zinc/19/95/85/170199585.db2.gz XSPGIACTGQXVSE-GFCCVEGCSA-N 1 1 243.347 1.831 50 0 BDAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000040477641 170258122 /nfs/dbraw/zinc/25/81/22/170258122.db2.gz DCZSQGGYROATBT-LLVKDONJSA-N 1 1 213.321 1.918 50 0 BDAAMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1 ZINC000083433947 170259147 /nfs/dbraw/zinc/25/91/47/170259147.db2.gz UWNOIXYBDFFGTL-ZDUSSCGKSA-N 1 1 248.326 1.024 50 0 BDAAMO CCOC(=O)[C@@](C)([NH3+])Cc1ccccc1 ZINC000034171641 170261566 /nfs/dbraw/zinc/26/15/66/170261566.db2.gz XKINIYKYOMQSRO-LBPRGKRZSA-N 1 1 207.273 1.510 50 0 biogenic BDAAMO CCOC(=O)[C@H]1CC(C)(C)[N@H+]2CCC[C@H]12 ZINC000004342605 170279264 /nfs/dbraw/zinc/27/92/64/170279264.db2.gz KKHJUVUUBQTBMI-VHSXEESVSA-N 1 1 211.305 1.812 50 0 BDAAMO CCOC(=O)c1c(N)sc2c1CC[N@@H+](C)C2 ZINC000000066623 170289053 /nfs/dbraw/zinc/28/90/53/170289053.db2.gz BLLSMPCWRPCBDL-UHFFFAOYSA-N 1 1 240.328 1.495 50 0 BDAAMO CCOC(C[N@H+]1CCC[C@@](C)(O)C1)OCC ZINC000097094911 170315421 /nfs/dbraw/zinc/31/54/21/170315421.db2.gz PHDHVMHTCYUOOE-GFCCVEGCSA-N 1 1 231.336 1.232 50 0 BDAAMO CCOCCCOC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000095962718 170383887 /nfs/dbraw/zinc/38/38/87/170383887.db2.gz XMKRZEIKDCDMGL-LBPRGKRZSA-N 1 1 243.347 1.831 50 0 BDAAMO CCOCCCOC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000095962718 170383888 /nfs/dbraw/zinc/38/38/88/170383888.db2.gz XMKRZEIKDCDMGL-LBPRGKRZSA-N 1 1 243.347 1.831 50 0 BDAAMO CCOCC[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000069586751 170398043 /nfs/dbraw/zinc/39/80/43/170398043.db2.gz VGCSLPVCHNPVJF-LLVKDONJSA-N 1 1 229.320 1.250 50 0 BDAAMO CCOCC[N@H+]1CCCN(c2ccccn2)CC1 ZINC000097138167 170398449 /nfs/dbraw/zinc/39/84/49/170398449.db2.gz LSWBWZFIQKSZQP-UHFFFAOYSA-N 1 1 249.358 1.630 50 0 BDAAMO C[N@H+]1CCCN(c2cccc3[nH]nc(N)c32)CC1 ZINC000601013358 411892673 /nfs/dbraw/zinc/89/26/73/411892673.db2.gz AGILVGLQFZPYEV-UHFFFAOYSA-N 1 1 245.330 1.287 50 0 BDAAMO CCc1[nH+]ccn1CC(=O)Nc1cc(C)nn1C ZINC000095441079 172025342 /nfs/dbraw/zinc/02/53/42/172025342.db2.gz DVBXIGNGXGHCAT-UHFFFAOYSA-N 1 1 247.302 1.126 50 0 BDAAMO CCn1ccnc1CN1CC[N@H+]2CCC[C@@H]2C1 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ZINC000019934918 173066923 /nfs/dbraw/zinc/06/69/23/173066923.db2.gz MMVBNWVMTBVDBT-UHFFFAOYSA-N 1 1 236.290 1.142 50 0 BDAAMO C[NH+]1CCN(C(=O)N2CCCCCC2)CC1 ZINC000096027210 173068902 /nfs/dbraw/zinc/06/89/02/173068902.db2.gz NWNWVEDYDGQHJB-UHFFFAOYSA-N 1 1 225.336 1.230 50 0 BDAAMO C[NH+]1CCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC000032820001 173070604 /nfs/dbraw/zinc/07/06/04/173070604.db2.gz JKHZOQOBMMQNJJ-NSHDSACASA-N 1 1 208.305 1.117 50 0 BDAAMO C[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000019535713 173073703 /nfs/dbraw/zinc/07/37/03/173073703.db2.gz JMCVROBSFMMHPI-UHFFFAOYSA-N 1 1 238.718 1.728 50 0 BDAAMO CN1CC[N@@H+](C)C[C@]12CCOC(C)(C)C2 ZINC000022593469 173076942 /nfs/dbraw/zinc/07/69/42/173076942.db2.gz UBTXCRKAMZOLQO-GFCCVEGCSA-N 1 1 212.337 1.191 50 0 BDAAMO CN1CC[N@H+](C)[C@@]2(CCOC(C)(C)C2)C1 ZINC000022593469 173076944 /nfs/dbraw/zinc/07/69/44/173076944.db2.gz UBTXCRKAMZOLQO-GFCCVEGCSA-N 1 1 212.337 1.191 50 0 BDAAMO CN1CC[N@@H+](C)[C@@]2(CCOC(C)(C)C2)C1 ZINC000022593469 173076947 /nfs/dbraw/zinc/07/69/47/173076947.db2.gz UBTXCRKAMZOLQO-GFCCVEGCSA-N 1 1 212.337 1.191 50 0 BDAAMO C[NH+]1CCN(CCC(=O)Nc2ccccc2)CC1 ZINC000019590028 173079841 /nfs/dbraw/zinc/07/98/41/173079841.db2.gz CRZCPGRJGKPAQX-UHFFFAOYSA-N 1 1 247.342 1.263 50 0 BDAAMO CN1C[C@H](CC[N@@H+]2CC=CCC2)OC1=O ZINC000071773738 173193119 /nfs/dbraw/zinc/19/31/19/173193119.db2.gz GVYIZSKRCRXNJW-JTQLQIEISA-N 1 1 210.277 1.089 50 0 BDAAMO C[N@H+]1C[C@H](C(=O)NC2CC2)[C@@H](c2ccccc2)C1 ZINC000226751653 173196501 /nfs/dbraw/zinc/19/65/01/173196501.db2.gz RBQPCKGABHTGPA-KGLIPLIRSA-N 1 1 244.338 1.610 50 0 BDAAMO CNC(=O)CC[N@H+]1CCC=C(c2ccccc2)C1 ZINC000284797257 173252613 /nfs/dbraw/zinc/25/26/13/173252613.db2.gz PCPUJVNMPHGBEH-UHFFFAOYSA-N 1 1 244.338 1.912 50 0 BDAAMO COC(=O)CCC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043426023 173537671 /nfs/dbraw/zinc/53/76/71/173537671.db2.gz QLVOZDAMDXCEMB-NWDGAFQWSA-N 1 1 241.331 1.583 50 0 BDAAMO COC1(CNc2cccc(C)[nH+]2)CCOCC1 ZINC000158135461 174006466 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BDAAMO CO[C@H]1CC[N@@H+](Cc2cn3ccc(C)cc3n2)C1 ZINC000244795274 523997026 /nfs/dbraw/zinc/99/70/26/523997026.db2.gz RCYPUUHDKMOACN-ZDUSSCGKSA-N 1 1 245.326 1.863 50 0 BDAAMO C[C@@H]1C[N@@H+]([C@H]2CCCSC2)CCN1 ZINC000251866400 525058812 /nfs/dbraw/zinc/05/88/12/525058812.db2.gz SXQGTRVVSXZJJQ-ZJUUUORDSA-N 1 1 200.351 1.176 50 0 BDAAMO C[C@@H]1C[N@H+]([C@H]2CCCSC2)CCN1 ZINC000251866400 525058820 /nfs/dbraw/zinc/05/88/20/525058820.db2.gz SXQGTRVVSXZJJQ-ZJUUUORDSA-N 1 1 200.351 1.176 50 0 BDAAMO Cc1cc(N2CCN3CCCC[C@H]3C2)nc(N)[nH+]1 ZINC000252463394 525082890 /nfs/dbraw/zinc/08/28/90/525082890.db2.gz IMFZTUKLBVNKOJ-NSHDSACASA-N 1 1 247.346 1.042 50 0 BDAAMO C[NH+]1CCN(c2cc(=O)oc3ccccc32)CC1 ZINC000004902845 536417337 /nfs/dbraw/zinc/41/73/37/536417337.db2.gz CQSIQJBRKJHVER-UHFFFAOYSA-N 1 1 244.294 1.545 50 0 BDAAMO Cc1ccc2n[nH]cc2c1[C@@H]1NC[C@@H](C)C[C@H]1[NH3+] ZINC000757215737 586440747 /nfs/dbraw/zinc/44/07/47/586440747.db2.gz XPEGUNPXVZGEBF-OLXJLDBKSA-N 1 1 244.342 1.869 50 0 BDAAMO CC[N@@H+]1[C@H](C)CN(c2ncc(F)cn2)C[C@@H]1C ZINC000874435508 590110070 /nfs/dbraw/zinc/11/00/70/590110070.db2.gz VTCLIPMGVKYBBE-AOOOYVTPSA-N 1 1 238.310 1.535 50 0 BDAAMO COCC1(C[NH2+]Cc2c[nH]cn2)CCC1 ZINC000308907732 632395995 /nfs/dbraw/zinc/39/59/95/632395995.db2.gz LSJJFBQODDACQV-UHFFFAOYSA-N 1 1 209.293 1.316 50 0 BDAAMO C[C@@H]1C[NH+](C2CCN(C)CC2)C[C@@H](C)O1 ZINC000000220430 642761544 /nfs/dbraw/zinc/76/15/44/642761544.db2.gz DBPYSMQZAZRHAF-GHMZBOCLSA-N 1 1 212.337 1.190 50 0 BDAAMO OC[C@H]1CCC[N@H+](CCNCc2ccoc2)C1 ZINC000952970428 644446793 /nfs/dbraw/zinc/44/67/93/644446793.db2.gz CFNIIEFIVVOIEM-ZDUSSCGKSA-N 1 1 238.331 1.074 50 0 BDAAMO OC[C@H]1CCC[N@@H+](CCNCc2ccoc2)C1 ZINC000952970428 644446800 /nfs/dbraw/zinc/44/68/00/644446800.db2.gz CFNIIEFIVVOIEM-ZDUSSCGKSA-N 1 1 238.331 1.074 50 0 BDAAMO CC1(C)C[C@@H](O)CC[N@H+](C2CCOCC2)C1 ZINC000395318393 711207214 /nfs/dbraw/zinc/20/72/14/711207214.db2.gz KKFHKRGUSVOFGR-LBPRGKRZSA-N 1 1 227.348 1.648 50 0 BDAAMO CC/C=C\CCC[N@@H+]1CCN(CC)C(=O)C1 ZINC000822293507 968512905 /nfs/dbraw/zinc/51/29/05/968512905.db2.gz BQVCXDOGQYQWHD-WAYWQWQTSA-N 1 1 224.348 1.897 50 0 BDAAMO CC/C=C\CCC[N@H+]1CCN(CC)C(=O)C1 ZINC000822293507 968512912 /nfs/dbraw/zinc/51/29/12/968512912.db2.gz BQVCXDOGQYQWHD-WAYWQWQTSA-N 1 1 224.348 1.897 50 0 BDAAMO C[C@H]1CC[N@@H+](Cc2nc(-c3ccncc3)no2)C1 ZINC000584906960 972028205 /nfs/dbraw/zinc/02/82/05/972028205.db2.gz MBDTUSNUFUCRKB-JTQLQIEISA-N 1 1 244.298 1.973 50 0 BDAAMO CC[N@H+](CCS(C)(=O)=O)CC1=CCCC1 ZINC000585089081 972127900 /nfs/dbraw/zinc/12/79/00/972127900.db2.gz IWJPCGWQEFRMMT-UHFFFAOYSA-N 1 1 231.361 1.463 50 0 BDAAMO CC[N@@H+](CCS(C)(=O)=O)CC1=CCCC1 ZINC000585089081 972127904 /nfs/dbraw/zinc/12/79/04/972127904.db2.gz IWJPCGWQEFRMMT-UHFFFAOYSA-N 1 1 231.361 1.463 50 0 BDAAMO CC[C@H](C)[N@@H+](C)C[C@H]1CC(=O)N(CC)C1 ZINC000822623331 968532220 /nfs/dbraw/zinc/53/22/20/968532220.db2.gz NSLXZJVCPZPVEN-WDEREUQCSA-N 1 1 212.337 1.585 50 0 BDAAMO CCNC(=O)[C@@H]1CC[N@@H+](CCCn2cccc2)C1 ZINC000823123359 968540290 /nfs/dbraw/zinc/54/02/90/968540290.db2.gz LLYCPUZEFVHYEF-CYBMUJFWSA-N 1 1 249.358 1.336 50 0 BDAAMO C[N@H+]1CCCC[C@@H]1COc1ncc(F)cn1 ZINC000585651078 973920381 /nfs/dbraw/zinc/92/03/81/973920381.db2.gz JXZTUFRXOSYEHB-SNVBAGLBSA-N 1 1 225.267 1.479 50 0 BDAAMO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2)n[nH]1 ZINC000090529428 178054412 /nfs/dbraw/zinc/05/44/12/178054412.db2.gz HCVCJFSESCPAAG-KOLCDFICSA-N 1 1 247.346 1.733 50 0 BDAAMO CCC(CC)C(=O)NCCC[NH+]1CCOCC1 ZINC000020356141 168337489 /nfs/dbraw/zinc/33/74/89/168337489.db2.gz HWWVKOYZUYWBBA-UHFFFAOYSA-N 1 1 242.363 1.261 50 0 BDAAMO Cc1cc(N2CCC[N@@H+](C3CC3)CC2)nc(N)n1 ZINC000057857722 178114182 /nfs/dbraw/zinc/11/41/82/178114182.db2.gz DMNXIJRAMQTNSO-UHFFFAOYSA-N 1 1 247.346 1.042 50 0 BDAAMO Cc1cc(N2CCC[N@H+](C3CC3)CC2)nc(N)n1 ZINC000057857722 178114186 /nfs/dbraw/zinc/11/41/86/178114186.db2.gz DMNXIJRAMQTNSO-UHFFFAOYSA-N 1 1 247.346 1.042 50 0 BDAAMO Cc1cc(OCC[NH+]2CCOCC2)ccc1N ZINC000014630791 178211432 /nfs/dbraw/zinc/21/14/32/178211432.db2.gz ICOGHJZAJAHNFY-UHFFFAOYSA-N 1 1 236.315 1.288 50 0 BDAAMO CCC(CC)[N@H+]1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000170595557 361771917 /nfs/dbraw/zinc/77/19/17/361771917.db2.gz JLLOPEBWFFQRCO-MWLCHTKSSA-N 1 1 229.320 1.437 50 0 BDAAMO COc1c2c(cc3c1C[N@@H+](C)CC3)OCO2 ZINC000000402960 342686814 /nfs/dbraw/zinc/68/68/14/342686814.db2.gz XXANNZJIZQTCBP-UHFFFAOYSA-N 1 1 221.256 1.412 50 0 endogenous,in-man BDAAMO COc1ccc(OC)c(NC(=O)C[NH+](C)C)c1 ZINC000003347112 342732705 /nfs/dbraw/zinc/73/27/05/342732705.db2.gz AJWPRNLUAAWUPU-UHFFFAOYSA-N 1 1 238.287 1.204 50 0 BDAAMO C[N@H+]1CCC[C@@H](CCNc2ccncc2F)C1 ZINC000584903785 342736717 /nfs/dbraw/zinc/73/67/17/342736717.db2.gz PGYRDOPXIPCBDY-NSHDSACASA-N 1 1 237.322 1.786 50 0 BDAAMO O=C1CCC[C@@H]2[C@H]3CCC[N@H+]4CCC[C@H](CN12)[C@@H]34 ZINC000003881785 342738933 /nfs/dbraw/zinc/73/89/33/342738933.db2.gz ZSBXGIUJOOQZMP-BHPKHCPMSA-N 1 1 248.370 1.872 50 0 biogenic,in-vitro BDAAMO CC1(C)C[N@H+](Cc2ccncc2F)C[C@H]1O ZINC000336221480 342783399 /nfs/dbraw/zinc/78/33/99/342783399.db2.gz KXBPUMKTDCDELA-LLVKDONJSA-N 1 1 224.279 1.423 50 0 BDAAMO CC1(C)C[N@@H+](Cc2ccncc2F)C[C@H]1O ZINC000336221480 342783400 /nfs/dbraw/zinc/78/34/00/342783400.db2.gz KXBPUMKTDCDELA-LLVKDONJSA-N 1 1 224.279 1.423 50 0 BDAAMO C[C@@H]1CCC[C@@H]2CCC[N@@H+](CC(N)=O)[C@H]12 ZINC000048326376 539008118 /nfs/dbraw/zinc/00/81/18/539008118.db2.gz GNVFJLRIGNOVOF-CKYFFXLPSA-N 1 1 210.321 1.372 50 0 BDAAMO C[N@H+](CC(N)=O)Cc1ccccc1N1CCCC1 ZINC000015573714 342898364 /nfs/dbraw/zinc/89/83/64/342898364.db2.gz HQXGPBUMQJQEHW-UHFFFAOYSA-N 1 1 247.342 1.204 50 0 BDAAMO C[N@@H+](CC(N)=O)Cc1ccccc1N1CCCC1 ZINC000015573714 342898367 /nfs/dbraw/zinc/89/83/67/342898367.db2.gz HQXGPBUMQJQEHW-UHFFFAOYSA-N 1 1 247.342 1.204 50 0 BDAAMO O=C1C[NH2+]CCN1Cc1ccc(Cl)cc1 ZINC000015015293 342890670 /nfs/dbraw/zinc/89/06/70/342890670.db2.gz NATDHIXNHFQBIT-UHFFFAOYSA-N 1 1 224.691 1.272 50 0 BDAAMO Cc1cc(C[NH+]2CCOCC2)c(C)cc1O ZINC000019596930 342951793 /nfs/dbraw/zinc/95/17/93/342951793.db2.gz RIQXULCAEXVXDY-UHFFFAOYSA-N 1 1 221.300 1.841 50 0 BDAAMO CSCC[C@@H]([NH3+])c1nc(C2CC2)no1 ZINC000021811649 343021725 /nfs/dbraw/zinc/02/17/25/343021725.db2.gz ZGPQOCFPXADGIM-SSDOTTSWSA-N 1 1 213.306 1.700 50 0 BDAAMO Nc1[nH]c2cc(Br)ccc2[nH+]1 ZINC000026898551 343110813 /nfs/dbraw/zinc/11/08/13/343110813.db2.gz YLKNNXAMJFCCPY-UHFFFAOYSA-N 1 1 212.050 1.908 50 0 BDAAMO Cc1cc(C)n(C2C[NH+](CCOC(C)C)C2)n1 ZINC000072268748 343116437 /nfs/dbraw/zinc/11/64/37/343116437.db2.gz VEPAWDUBRSAFAA-UHFFFAOYSA-N 1 1 237.347 1.782 50 0 BDAAMO COC(=O)CC[C@@]1(C)C[N@H+](C)[C@@H](C)CC1=O ZINC000004020251 343272767 /nfs/dbraw/zinc/27/27/67/343272767.db2.gz KIOGZDPPKUPOPV-CABZTGNLSA-N 1 1 227.304 1.239 50 0 BDAAMO COC(=O)CC[C@@]1(C)C[N@@H+](C)[C@@H](C)CC1=O ZINC000004020251 343272768 /nfs/dbraw/zinc/27/27/68/343272768.db2.gz KIOGZDPPKUPOPV-CABZTGNLSA-N 1 1 227.304 1.239 50 0 BDAAMO CC[NH+]1CCN(C2Cc3ccccc3C2)CC1 ZINC000023283437 343274665 /nfs/dbraw/zinc/27/46/65/343274665.db2.gz KFCGXSNRTIPBSM-UHFFFAOYSA-N 1 1 230.355 1.791 50 0 BDAAMO Cc1cccc(Cc2n[nH]c(CC[NH3+])n2)c1 ZINC000034928813 343281007 /nfs/dbraw/zinc/28/10/07/343281007.db2.gz WNHUVTFTMKZRAZ-UHFFFAOYSA-N 1 1 216.288 1.205 50 0 BDAAMO COC(=O)[C@@]1(N)CCC[N@@H+](Cc2ccccc2)C1 ZINC000037514731 343347752 /nfs/dbraw/zinc/34/77/52/343347752.db2.gz RVOVJXXETIQTGF-CQSZACIVSA-N 1 1 248.326 1.153 50 0 biogenic BDAAMO CC(C)[NH+]1CCN(C[C@H]2CCOC2)CC1 ZINC000047705332 343449636 /nfs/dbraw/zinc/44/96/36/343449636.db2.gz AJUIWUZYIHGESF-GFCCVEGCSA-N 1 1 212.337 1.049 50 0 BDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccco1 ZINC000044893791 343518380 /nfs/dbraw/zinc/51/83/80/343518380.db2.gz SZSMBTTUJZGJON-JTQLQIEISA-N 1 1 222.288 1.494 50 0 BDAAMO O=C(C[NH+]1CCC(O)CC1)Nc1ccccc1 ZINC000032664903 343779533 /nfs/dbraw/zinc/77/95/33/343779533.db2.gz MPQRFLLSAFKQDN-UHFFFAOYSA-N 1 1 234.299 1.082 50 0 BDAAMO CC[N@@H+](Cc1cnc2ccccn12)C(C)(C)CO ZINC000097163466 344043829 /nfs/dbraw/zinc/04/38/29/344043829.db2.gz QTGYINXUQBAPJQ-UHFFFAOYSA-N 1 1 247.342 1.927 50 0 BDAAMO c1coc(-c2noc(C[NH+]3CCCC3)n2)c1 ZINC000044069590 344385414 /nfs/dbraw/zinc/38/54/14/344385414.db2.gz UWBNVPHTOLFNNG-UHFFFAOYSA-N 1 1 219.244 1.925 50 0 BDAAMO COC(=O)C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000247857461 344566753 /nfs/dbraw/zinc/56/67/53/344566753.db2.gz UWQDGTPKIBAHGW-MNOVXSKESA-N 1 1 211.305 1.672 50 0 BDAAMO COCC[N@@H+](C)[C@@H]1CCC[C@H]1SC ZINC000252670790 345575771 /nfs/dbraw/zinc/57/57/71/345575771.db2.gz LSAVTPCOLLMQLE-NXEZZACHSA-N 1 1 203.351 1.849 50 0 BDAAMO C[N@H+]1CCCN(Cc2ccncc2)CC1 ZINC000146155183 345957320 /nfs/dbraw/zinc/95/73/20/345957320.db2.gz TXHXPOHGVQJMBI-UHFFFAOYSA-N 1 1 205.305 1.219 50 0 BDAAMO CN1CCC[N@H+](Cc2ccncc2)CC1 ZINC000146155183 345957323 /nfs/dbraw/zinc/95/73/23/345957323.db2.gz TXHXPOHGVQJMBI-UHFFFAOYSA-N 1 1 205.305 1.219 50 0 BDAAMO CN1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000146155183 345957326 /nfs/dbraw/zinc/95/73/26/345957326.db2.gz TXHXPOHGVQJMBI-UHFFFAOYSA-N 1 1 205.305 1.219 50 0 BDAAMO CN(C)c1cc(-c2ccccc2)[nH+]c(N)n1 ZINC000000040706 346403166 /nfs/dbraw/zinc/40/31/66/346403166.db2.gz JZARMCYNEGDPGB-UHFFFAOYSA-N 1 1 214.272 1.792 50 0 BDAAMO Cc1cccc(CN2CC[NH+](CCO)CC2)c1 ZINC000019606709 179076071 /nfs/dbraw/zinc/07/60/71/179076071.db2.gz JNGIXKIMMGZPOG-UHFFFAOYSA-N 1 1 234.343 1.105 50 0 BDAAMO Cc1cccc(NCc2ccc(C(N)=O)o2)[nH+]1 ZINC000157836501 179147992 /nfs/dbraw/zinc/14/79/92/179147992.db2.gz UDPFQXOLVGPDGI-UHFFFAOYSA-N 1 1 231.255 1.694 50 0 BDAAMO Cc1[nH+]ccn1CCNC(=O)c1ccccc1C ZINC000049460692 179249727 /nfs/dbraw/zinc/24/97/27/179249727.db2.gz LZHSUVDQKQBVEI-UHFFFAOYSA-N 1 1 243.310 1.930 50 0 BDAAMO Nc1[nH]nc2nc(C3CC[NH2+]CC3)ccc12 ZINC000019686402 348557979 /nfs/dbraw/zinc/55/79/79/348557979.db2.gz UYYSYTOKSMRJNE-UHFFFAOYSA-N 1 1 217.276 1.007 50 0 BDAAMO COc1cccc2c1O[C@@]1(O)CC[N@@H+](C)C[C@H]1C2 ZINC000071773421 348756735 /nfs/dbraw/zinc/75/67/35/348756735.db2.gz ATSWJHVQQMWTTL-RISCZKNCSA-N 1 1 249.310 1.270 50 0 BDAAMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2ccccc2)C1 ZINC000116510295 348976024 /nfs/dbraw/zinc/97/60/24/348976024.db2.gz ADFBVTAJGJLTTL-YPMHNXCESA-N 1 1 205.301 1.889 50 0 BDAAMO Cc1nc(N[C@H]2CCC[C@H]2C(N)=O)c(C)c(C)[nH+]1 ZINC000091452117 179908885 /nfs/dbraw/zinc/90/88/85/179908885.db2.gz SMTFJYRQCZWVBH-MNOVXSKESA-N 1 1 248.330 1.468 50 0 BDAAMO Cc1nc([C@@H]2CCCC[NH2+]2)ncc1C(=O)N(C)C ZINC000019686364 180043244 /nfs/dbraw/zinc/04/32/44/180043244.db2.gz BXIACJXVMXQSLG-NSHDSACASA-N 1 1 248.330 1.301 50 0 BDAAMO Cc1cc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)on1 ZINC000040522675 350370769 /nfs/dbraw/zinc/37/07/69/350370769.db2.gz RMEQNIBEXZZXGC-SNVBAGLBSA-N 1 1 249.314 1.197 50 0 BDAAMO C[N@@H+](CC(N)=O)[C@@H]1CCCc2ccccc21 ZINC000007583022 350835716 /nfs/dbraw/zinc/83/57/16/350835716.db2.gz LINVJKNWUDXGGT-GFCCVEGCSA-N 1 1 218.300 1.481 50 0 BDAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(C)C)C1 ZINC000054463253 363181510 /nfs/dbraw/zinc/18/15/10/363181510.db2.gz LERVSSGOJVKUHL-LBPRGKRZSA-N 1 1 242.363 1.115 50 0 BDAAMO C([C@@H]1CCOC1)[N@H+]1CCOCC12CCCC2 ZINC000170057443 188338527 /nfs/dbraw/zinc/33/85/27/188338527.db2.gz QNOTYLGOHAYNSM-LBPRGKRZSA-N 1 1 225.332 1.668 50 0 BDAAMO C1CN([NH2+]C2CCCCCCC2)CCO1 ZINC000023283384 188356193 /nfs/dbraw/zinc/35/61/93/188356193.db2.gz OEELLIFAWDYLLK-UHFFFAOYSA-N 1 1 212.337 1.936 50 0 BDAAMO C[C@@H]1C[N@H+](Cc2cnccn2)CCC1(F)F ZINC000334517045 353624235 /nfs/dbraw/zinc/62/42/35/353624235.db2.gz WPMKZQVNVYEUBD-SECBINFHSA-N 1 1 227.258 1.954 50 0 BDAAMO C[C@@H]1C[N@@H+](Cc2cnccn2)CCC1(F)F ZINC000334517045 353624236 /nfs/dbraw/zinc/62/42/36/353624236.db2.gz WPMKZQVNVYEUBD-SECBINFHSA-N 1 1 227.258 1.954 50 0 BDAAMO CNC(=O)CC[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000336008451 134049643 /nfs/dbraw/zinc/04/96/43/134049643.db2.gz KGCZRHXQAQZPTI-MRVPVSSYSA-N 1 1 220.263 1.100 50 0 BDAAMO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1cccc(O)c1 ZINC000092589042 181243643 /nfs/dbraw/zinc/24/36/43/181243643.db2.gz GECBSAXKPHLETA-LBPRGKRZSA-N 1 1 248.326 1.622 50 0 BDAAMO C[N@H+]([C@@H]1CCCC[C@@H]1O)[C@H]1CCCC[C@@H]1O ZINC000045027503 356371976 /nfs/dbraw/zinc/37/19/76/356371976.db2.gz DCOWSAJHGYDKOR-RNJOBUHISA-N 1 1 227.348 1.525 50 0 BDAAMO NC(=O)[C@@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000157169396 181270440 /nfs/dbraw/zinc/27/04/40/181270440.db2.gz KQOYTHSIUBQRKP-YYRQZUAOSA-N 1 1 248.301 1.646 50 0 BDAAMO CN1C[C@H](C[N@H+]2CCc3ccccc3C2)CC1=O ZINC000618256556 356470863 /nfs/dbraw/zinc/47/08/63/356470863.db2.gz ULRAWOOJSYWUPD-GFCCVEGCSA-N 1 1 244.338 1.523 50 0 BDAAMO NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000000278277 181280398 /nfs/dbraw/zinc/28/03/98/181280398.db2.gz XFPABKXIZOYZBL-ZDUSSCGKSA-N 1 1 232.327 1.426 50 0 BDAAMO C[N@@H+](CC(N)=O)[C@@H]1CCc2ccccc21 ZINC000012921938 356617750 /nfs/dbraw/zinc/61/77/50/356617750.db2.gz DQDSARJIMWCDMJ-LLVKDONJSA-N 1 1 204.273 1.091 50 0 BDAAMO CC(C)c1cc[n+](-c2[nH]c(=O)sc2C=O)cc1 ZINC000015974494 356660791 /nfs/dbraw/zinc/66/07/91/356660791.db2.gz BDXWHICFUGOXGI-UHFFFAOYSA-O 1 1 249.315 1.649 50 0 BDAAMO C[C@@H](O)[C@@H]1CC[N@@H+](CC2(O)CCCCC2)C1 ZINC000095993816 538613303 /nfs/dbraw/zinc/61/33/03/538613303.db2.gz YUTBNTZMHMSKGP-VXGBXAGGSA-N 1 1 227.348 1.384 50 0 BDAAMO OCc1nc2ccc(C3=CC[NH2+]CC3)cc2[nH]1 ZINC000426465065 200988371 /nfs/dbraw/zinc/98/83/71/200988371.db2.gz CGYRACYPHBGYNH-UHFFFAOYSA-N 1 1 229.283 1.432 50 0 BDAAMO Cc1cc(=O)[nH]c(C[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000012667080 370930727 /nfs/dbraw/zinc/93/07/27/370930727.db2.gz LGGCXDXBASLRDT-AOOOYVTPSA-N 1 1 235.331 1.556 50 0 BDAAMO CC(C)O[C@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1O ZINC000584888306 369035928 /nfs/dbraw/zinc/03/59/28/369035928.db2.gz VFLQJWFTSZTELK-RYUDHWBXSA-N 1 1 241.356 1.718 50 0 BDAAMO O[C@@H]1CCC[C@@H]1[N@H+]1CCc2ccccc2C1 ZINC000217798270 372012251 /nfs/dbraw/zinc/01/22/51/372012251.db2.gz OKFSUFYTHUYHCJ-UONOGXRCSA-N 1 1 217.312 1.958 50 0 BDAAMO C[N@@H+](CCCO)C[C@@H]1COc2ccccc2O1 ZINC000067127049 372701340 /nfs/dbraw/zinc/70/13/40/372701340.db2.gz RPJSQVJBPKOGGZ-LLVKDONJSA-N 1 1 237.299 1.141 50 0 BDAAMO 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Cc1ccc(C[N@@H+]2CCCC[C@]2(C)C(N)=O)o1 ZINC000097375525 342791541 /nfs/dbraw/zinc/79/15/41/342791541.db2.gz HGTHOIQPDLPPJT-CYBMUJFWSA-N 1 1 236.315 1.818 50 0 BDAAMO Cc1ccc(C[N@H+]2CCCC[C@]2(C)C(N)=O)o1 ZINC000097375525 342791542 /nfs/dbraw/zinc/79/15/42/342791542.db2.gz HGTHOIQPDLPPJT-CYBMUJFWSA-N 1 1 236.315 1.818 50 0 BDAAMO Nc1ncc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC000015525227 342897429 /nfs/dbraw/zinc/89/74/29/342897429.db2.gz ORTCKHSUDJFKQL-UHFFFAOYSA-N 1 1 240.310 1.617 50 0 BDAAMO Nc1ncc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC000015525227 342897431 /nfs/dbraw/zinc/89/74/31/342897431.db2.gz ORTCKHSUDJFKQL-UHFFFAOYSA-N 1 1 240.310 1.617 50 0 BDAAMO CC(C)CN1c2ccccc2[C@H]([NH3+])C1=O ZINC000016082904 342905782 /nfs/dbraw/zinc/90/57/82/342905782.db2.gz XUCSAPVWLJSQLU-NSHDSACASA-N 1 1 204.273 1.689 50 0 BDAAMO Cc1ccc(CN2CC[NH2+]CC2=O)cc1C ZINC000019088512 342941346 /nfs/dbraw/zinc/94/13/46/342941346.db2.gz JDQLCQPPLOATHR-UHFFFAOYSA-N 1 1 218.300 1.235 50 0 BDAAMO [NH3+]Cc1nc(COc2ccc(Cl)cc2)no1 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188357478 /nfs/dbraw/zinc/35/74/78/188357478.db2.gz HYNXAULQTVKROM-WDEREUQCSA-N 1 1 249.314 1.873 50 0 BDAAMO COc1ccc(C[N@H+](C)CCN(C)C)cc1 ZINC000022585264 188355655 /nfs/dbraw/zinc/35/56/55/188355655.db2.gz COLLSVTVGJFFCR-UHFFFAOYSA-N 1 1 222.332 1.689 50 0 BDAAMO COc1ccc(C[N@@H+](C)CCN(C)C)cc1 ZINC000022585264 188355657 /nfs/dbraw/zinc/35/56/57/188355657.db2.gz COLLSVTVGJFFCR-UHFFFAOYSA-N 1 1 222.332 1.689 50 0 BDAAMO CC(C)[N@H+]1CCCN(Cc2cccn2C)CC1 ZINC000096489406 188366080 /nfs/dbraw/zinc/36/60/80/188366080.db2.gz ZKODLTWRMIIBIO-UHFFFAOYSA-N 1 1 235.375 1.941 50 0 BDAAMO COc1ccc(C[N@@H+]2CCc3n[nH]cc3C2)cn1 ZINC000271637873 188376520 /nfs/dbraw/zinc/37/65/20/188376520.db2.gz ZLZVXHHIMSUQCE-UHFFFAOYSA-N 1 1 244.298 1.372 50 0 BDAAMO COc1ccc(C[N@H+]2CCc3n[nH]cc3C2)cn1 ZINC000271637873 188376521 /nfs/dbraw/zinc/37/65/21/188376521.db2.gz ZLZVXHHIMSUQCE-UHFFFAOYSA-N 1 1 244.298 1.372 50 0 BDAAMO CC[C@@](C)(CCO)[NH2+]Cc1cn[nH]c1C ZINC000230221957 363299923 /nfs/dbraw/zinc/29/99/23/363299923.db2.gz XPHDPKNCKXILSE-NSHDSACASA-N 1 1 211.309 1.359 50 0 BDAAMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1cccnc1 ZINC000035133377 355843917 /nfs/dbraw/zinc/84/39/17/355843917.db2.gz DFWSXYLIJKMBKW-JTQLQIEISA-N 1 1 222.288 1.323 50 0 BDAAMO NC(=O)CC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000000460035 181222664 /nfs/dbraw/zinc/22/26/64/181222664.db2.gz NRMHXNXTBHZFPV-LBPRGKRZSA-N 1 1 233.315 1.484 50 0 biogenic BDAAMO NC(=O)N1CCC[N@@H+](CC2CCCC2)CC1 ZINC000098009967 181250944 /nfs/dbraw/zinc/25/09/44/181250944.db2.gz VLKYVIUGMRILSZ-UHFFFAOYSA-N 1 1 225.336 1.263 50 0 BDAAMO C[N@@H+](CC1CC(F)(F)C1)[C@H]1CCOC1 ZINC000336185963 134121416 /nfs/dbraw/zinc/12/14/16/134121416.db2.gz HWEYKSNLXFLFMF-VIFPVBQESA-N 1 1 205.248 1.752 50 0 BDAAMO Cc1cc([C@@H]2CCC[N@@H+](C[C@@H]3CCOC3)C2)[nH]n1 ZINC000089599034 538581850 /nfs/dbraw/zinc/58/18/50/538581850.db2.gz SGJPJTTUMCQXNR-QWHCGFSZSA-N 1 1 249.358 1.934 50 0 BDAAMO Cc1cc([C@@H]2CCC[N@H+](C[C@@H]3CCOC3)C2)n[nH]1 ZINC000089599034 538581860 /nfs/dbraw/zinc/58/18/60/538581860.db2.gz SGJPJTTUMCQXNR-QWHCGFSZSA-N 1 1 249.358 1.934 50 0 BDAAMO Cc1cc([C@@H]2CCC[N@@H+](C[C@@H]3CCOC3)C2)n[nH]1 ZINC000089599034 538581867 /nfs/dbraw/zinc/58/18/67/538581867.db2.gz SGJPJTTUMCQXNR-QWHCGFSZSA-N 1 1 249.358 1.934 50 0 BDAAMO CC1(C)C[N@@H+](CC2CC2)CC[S@@]1=O ZINC000089919658 538587019 /nfs/dbraw/zinc/58/70/19/538587019.db2.gz ZOFXLKAMQCPODX-CYBMUJFWSA-N 1 1 201.335 1.239 50 0 BDAAMO CCC[C@@H]1CCC[N@@H+](CC2(CO)COC2)CC1 ZINC000075109097 356840998 /nfs/dbraw/zinc/84/09/98/356840998.db2.gz MQCJTJZCTMVGNB-CYBMUJFWSA-N 1 1 241.375 1.898 50 0 BDAAMO CCn1nc(C)c(C[NH2+][C@@H]2COC(C)(C)C2)n1 ZINC000585088809 538793887 /nfs/dbraw/zinc/79/38/87/538793887.db2.gz BZVUOBRGWRXGDJ-JTQLQIEISA-N 1 1 238.335 1.264 50 0 BDAAMO [NH3+]C[C@]12C[C@H]1CN(Cc1ccccc1)C2 ZINC000034724679 491107704 /nfs/dbraw/zinc/10/77/04/491107704.db2.gz JUOOTPCVPUXCDN-STQMWFEESA-N 1 1 202.301 1.467 50 0 BDAAMO COCC[NH2+]Cc1c(F)cncc1F ZINC000685946907 538888184 /nfs/dbraw/zinc/88/81/84/538888184.db2.gz WVQZBTDTTMQIDJ-UHFFFAOYSA-N 1 1 202.204 1.096 50 0 BDAAMO CC[N@H+](CC(N)=O)Cc1ccc(OC)c(F)c1 ZINC000007794148 364364183 /nfs/dbraw/zinc/36/41/83/364364183.db2.gz QCNVZNSGJNRVCM-UHFFFAOYSA-N 1 1 240.278 1.142 50 0 BDAAMO CC[N@@H+](CC(N)=O)Cc1ccc(OC)c(F)c1 ZINC000007794148 364364188 /nfs/dbraw/zinc/36/41/88/364364188.db2.gz QCNVZNSGJNRVCM-UHFFFAOYSA-N 1 1 240.278 1.142 50 0 BDAAMO [NH3+]CC1CCN(Cc2cc(O)cc(F)c2)CC1 ZINC000223551868 181365177 /nfs/dbraw/zinc/36/51/77/181365177.db2.gz QAKWJQLTXFRNIM-UHFFFAOYSA-N 1 1 238.306 1.702 50 0 BDAAMO Cc1cnc(CN2CCC[N@H+](C(C)C)CC2)cn1 ZINC000069080912 368745143 /nfs/dbraw/zinc/74/51/43/368745143.db2.gz WTCGMNOGXVUVMT-UHFFFAOYSA-N 1 1 248.374 1.701 50 0 BDAAMO [NH3+][C@H]1CN(Cc2cc(C3CC3)[nH]n2)C[C@@H]1C1CC1 ZINC000091974147 181656841 /nfs/dbraw/zinc/65/68/41/181656841.db2.gz CRNUOLRJCVCYON-OLZOCXBDSA-N 1 1 246.358 1.456 50 0 BDAAMO Nc1cc[nH+]c(N2CC(c3ccccn3)C2)n1 ZINC000072123999 181764100 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/nfs/dbraw/zinc/70/11/47/388701147.db2.gz AXJBIVWYICNEPA-UHFFFAOYSA-N 1 1 243.347 1.498 50 0 BDAAMO CCCC[NH2+][C@@H](C(=O)OCC)[C@H]1CCCOC1 ZINC000096007171 388802936 /nfs/dbraw/zinc/80/29/36/388802936.db2.gz XZSOCJXCTKVORG-NWDGAFQWSA-N 1 1 243.347 1.734 50 0 BDAAMO CCCC[NH2+][C@H](C(=O)OCC)[C@@H]1CCCOC1 ZINC000096007168 388803254 /nfs/dbraw/zinc/80/32/54/388803254.db2.gz XZSOCJXCTKVORG-NEPJUHHUSA-N 1 1 243.347 1.734 50 0 BDAAMO CC(C)(C[NH2+]CCc1nc[nH]n1)c1ccccc1 ZINC000095460058 388775362 /nfs/dbraw/zinc/77/53/62/388775362.db2.gz GPJGKRAHEBUGOR-UHFFFAOYSA-N 1 1 244.342 1.915 50 0 BDAAMO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1cncs1 ZINC000097059003 388831240 /nfs/dbraw/zinc/83/12/40/388831240.db2.gz VINOAIUGGGKELU-GFCCVEGCSA-N 1 1 239.388 1.915 50 0 BDAAMO CC(C)[C@H]1CN(C)CC[N@@H+]1Cc1cncs1 ZINC000097059003 388831250 /nfs/dbraw/zinc/83/12/50/388831250.db2.gz VINOAIUGGGKELU-GFCCVEGCSA-N 1 1 239.388 1.915 50 0 BDAAMO CC(C)[C@H]1CN(C)CC[N@H+]1Cc1cncs1 ZINC000097059003 388831251 /nfs/dbraw/zinc/83/12/51/388831251.db2.gz VINOAIUGGGKELU-GFCCVEGCSA-N 1 1 239.388 1.915 50 0 BDAAMO Cc1cccc(N2CC[C@H](C)[C@@H](O)C2)[nH+]1 ZINC000108502852 132294724 /nfs/dbraw/zinc/29/47/24/132294724.db2.gz ZMLYNIIAMGIMGN-ONGXEEELSA-N 1 1 206.289 1.597 50 0 BDAAMO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccccc1 ZINC000087781973 135169058 /nfs/dbraw/zinc/16/90/58/135169058.db2.gz NFCNFNOOTWGKSR-WCQYABFASA-N 1 1 221.300 1.268 50 0 BDAAMO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ccccc1 ZINC000087781973 135169060 /nfs/dbraw/zinc/16/90/60/135169060.db2.gz NFCNFNOOTWGKSR-WCQYABFASA-N 1 1 221.300 1.268 50 0 BDAAMO F[C@@H]1C[NH2+][C@@H](c2nc(-c3cccnc3)no2)C1 ZINC000261736994 135249340 /nfs/dbraw/zinc/24/93/40/135249340.db2.gz KRDQPUVCMBXOJV-DTWKUNHWSA-N 1 1 234.234 1.504 50 0 BDAAMO CC[C@H](O)C[N@H+]1CCc2ccc(O)cc2C1 ZINC000334379340 135377675 /nfs/dbraw/zinc/37/76/75/135377675.db2.gz HLKNQACHJUXMSC-LBPRGKRZSA-N 1 1 221.300 1.521 50 0 BDAAMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000227142908 397952124 /nfs/dbraw/zinc/95/21/24/397952124.db2.gz HIAJEVGYKSIRLP-MWLCHTKSSA-N 1 1 236.290 1.489 50 0 BDAAMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000227142908 397952127 /nfs/dbraw/zinc/95/21/27/397952127.db2.gz HIAJEVGYKSIRLP-MWLCHTKSSA-N 1 1 236.290 1.489 50 0 BDAAMO Cc1n[nH]cc1CN(C)c1cc(C)[nH+]c(C)n1 ZINC000585092127 487576886 /nfs/dbraw/zinc/57/68/86/487576886.db2.gz GHPPUJXAPGKXSO-UHFFFAOYSA-N 1 1 231.303 1.761 50 0 BDAAMO COC(=O)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC000065507044 409992943 /nfs/dbraw/zinc/99/29/43/409992943.db2.gz SOZBDCJOAVGCQV-UHFFFAOYSA-N 1 1 212.293 1.171 50 0 BDAAMO CC[C@H](CO)NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000097136878 410059270 /nfs/dbraw/zinc/05/92/70/410059270.db2.gz MBUSPRHNIMYAHO-WHOHXGKFSA-N 1 1 242.363 1.135 50 0 BDAAMO CCCn1nnnc1C[N@@H+]1CCCC[C@H]1CC ZINC000048342116 411189647 /nfs/dbraw/zinc/18/96/47/411189647.db2.gz KTLFKRPIUVASBJ-LLVKDONJSA-N 1 1 237.351 1.848 50 0 BDAAMO CCCn1nnnc1C[N@H+]1CCCC[C@H]1CC ZINC000048342116 411189650 /nfs/dbraw/zinc/18/96/50/411189650.db2.gz KTLFKRPIUVASBJ-LLVKDONJSA-N 1 1 237.351 1.848 50 0 BDAAMO CC12CN3CC(C)(C[NH+](C1)C31CCCC1)C2=O ZINC000019312791 168074233 /nfs/dbraw/zinc/07/42/33/168074233.db2.gz CBCOTPRGYVAPSP-UHFFFAOYSA-N 1 1 234.343 1.483 50 0 biogenic BDAAMO CC(C)CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000052635160 411401581 /nfs/dbraw/zinc/40/15/81/411401581.db2.gz VNWBMBRMGGSPLD-NEPJUHHUSA-N 1 1 226.364 1.879 50 0 BDAAMO CCNC(=O)C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000035138951 170066180 /nfs/dbraw/zinc/06/61/80/170066180.db2.gz MBDHDPFJMNIJOR-MRVPVSSYSA-N 1 1 242.269 1.752 50 0 BDAAMO CCOC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000034519783 170190201 /nfs/dbraw/zinc/19/02/01/170190201.db2.gz QDBFVFBOZSMMSV-UHFFFAOYSA-N 1 1 205.257 1.046 50 0 biogenic BDAAMO CCOC(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000000161618 170193094 /nfs/dbraw/zinc/19/30/94/170193094.db2.gz FUYCJXSMOQDUFB-UHFFFAOYSA-N 1 1 248.326 1.857 50 0 BDAAMO CCOC(=O)[C@@H]1CCCC[N@H+]1CCCOC ZINC000065587454 170256848 /nfs/dbraw/zinc/25/68/48/170256848.db2.gz IOBLDAVSWWVGBO-NSHDSACASA-N 1 1 229.320 1.441 50 0 BDAAMO CCOC(=O)[C@@]1([NH3+])C[C@@H]1c1ccccc1 ZINC000075422377 170263126 /nfs/dbraw/zinc/26/31/26/170263126.db2.gz DXQQKLKCMSJJEX-ZYHUDNBSSA-N 1 1 205.257 1.435 50 0 BDAAMO CCOC(=O)[C@@]1(N)CC[N@@H+](Cc2ccccc2)C1 ZINC000035630188 170263156 /nfs/dbraw/zinc/26/31/56/170263156.db2.gz NAKFGHQPCHDUOT-CQSZACIVSA-N 1 1 248.326 1.153 50 0 BDAAMO CCOC(=O)[C@H]([NH3+])CSCc1ccccc1 ZINC000019943567 170274966 /nfs/dbraw/zinc/27/49/66/170274966.db2.gz CNQSZDMYASSXPV-LLVKDONJSA-N 1 1 239.340 1.810 50 0 BDAAMO CCOC(C[N@@H+]1CCO[C@H](C)[C@@H]1C)OCC ZINC000097161668 170315977 /nfs/dbraw/zinc/31/59/77/170315977.db2.gz PONWXVYXUCWJPQ-WDEREUQCSA-N 1 1 231.336 1.495 50 0 BDAAMO CCOC(C[N@H+]1CCO[C@H](C)[C@@H]1C)OCC ZINC000097161668 170315978 /nfs/dbraw/zinc/31/59/78/170315978.db2.gz PONWXVYXUCWJPQ-WDEREUQCSA-N 1 1 231.336 1.495 50 0 BDAAMO CCOC(C[N@H+]1CCS[C@@H](C)C1)OCC ZINC000097094924 170316113 /nfs/dbraw/zinc/31/61/13/170316113.db2.gz KTPPETSWWDNALP-JTQLQIEISA-N 1 1 233.377 1.823 50 0 BDAAMO CCOCC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000072270771 170398610 /nfs/dbraw/zinc/39/86/10/170398610.db2.gz UVFIPWWKVRCOLG-LLVKDONJSA-N 1 1 223.320 1.626 50 0 BDAAMO CCOCC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000072270771 170398613 /nfs/dbraw/zinc/39/86/13/170398613.db2.gz UVFIPWWKVRCOLG-LLVKDONJSA-N 1 1 223.320 1.626 50 0 BDAAMO CCOCC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000072270771 170398614 /nfs/dbraw/zinc/39/86/14/170398614.db2.gz UVFIPWWKVRCOLG-LLVKDONJSA-N 1 1 223.320 1.626 50 0 BDAAMO CC[C@H](C)[N@@H+](C)CC(=O)Nc1nnc(C)s1 ZINC000069738257 171305060 /nfs/dbraw/zinc/30/50/60/171305060.db2.gz MVUDOKOCSYXFIE-ZETCQYMHSA-N 1 1 242.348 1.515 50 0 BDAAMO CCc1nnc(C[NH2+][C@@H]2CCC[C@]2(C)CO)o1 ZINC000170607228 172054385 /nfs/dbraw/zinc/05/43/85/172054385.db2.gz ABOTXXHEQJLJJA-BXKDBHETSA-N 1 1 239.319 1.273 50 0 BDAAMO CCn1ccnc1CN1CC[N@@H+](C)C[C@@H]1C ZINC000069702792 172220343 /nfs/dbraw/zinc/22/03/43/172220343.db2.gz QYPCDYOKZCTECP-NSHDSACASA-N 1 1 222.336 1.039 50 0 BDAAMO C[NH+](C)CCCNc1cc(C(=O)[O-])cc[nH+]1 ZINC000019845181 172443346 /nfs/dbraw/zinc/44/33/46/172443346.db2.gz MXWCXXNMZVLCHL-UHFFFAOYSA-N 1 1 223.276 1.143 50 0 BDAAMO C[N@H+]1CCC[C@H]1CCNC(=O)Nc1cccnc1 ZINC000299776802 173054204 /nfs/dbraw/zinc/05/42/04/173054204.db2.gz DDDJYXBGVWJDKY-LBPRGKRZSA-N 1 1 248.330 1.687 50 0 BDAAMO CN(C[C@@]1(O)CCC[N@@H+](C)C1)c1ccccc1 ZINC000041124028 173062873 /nfs/dbraw/zinc/06/28/73/173062873.db2.gz HPQPAGVJMAWUNH-CQSZACIVSA-N 1 1 234.343 1.580 50 0 BDAAMO C[N@@H+]1CCN(C(=O)C2CC2)c2ccccc2C1 ZINC000082275722 173064327 /nfs/dbraw/zinc/06/43/27/173064327.db2.gz HBTWWVWIFBGCPA-UHFFFAOYSA-N 1 1 230.311 1.875 50 0 BDAAMO C[N@H+]1CCN(C(=O)C2CC2)c2ccccc2C1 ZINC000082275722 173064330 /nfs/dbraw/zinc/06/43/30/173064330.db2.gz HBTWWVWIFBGCPA-UHFFFAOYSA-N 1 1 230.311 1.875 50 0 BDAAMO C[NH+]1CCN(C(=O)CCc2ccsc2)CC1 ZINC000032731154 173067974 /nfs/dbraw/zinc/06/79/74/173067974.db2.gz XJEJZYTZQIBXLV-UHFFFAOYSA-N 1 1 238.356 1.455 50 0 BDAAMO C[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000023379465 173072021 /nfs/dbraw/zinc/07/20/21/173072021.db2.gz FCXDHLZFPWXAGS-KGLIPLIRSA-N 1 1 244.338 1.564 50 0 BDAAMO C[NH+]1CCN(CCc2ccccc2)CC1 ZINC000022455585 173081251 /nfs/dbraw/zinc/08/12/51/173081251.db2.gz DBGWPOIRMDKCHA-UHFFFAOYSA-N 1 1 204.317 1.477 50 0 BDAAMO C[NH+]1CCN(CCc2cccc(N)c2)CC1 ZINC000020192051 173082338 /nfs/dbraw/zinc/08/23/38/173082338.db2.gz BUKDRFCAGJUZMF-UHFFFAOYSA-N 1 1 219.332 1.059 50 0 BDAAMO C[NH+]1CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000019536799 173085126 /nfs/dbraw/zinc/08/51/26/173085126.db2.gz YLWXBMKGZWALKM-UHFFFAOYSA-N 1 1 229.327 1.915 50 0 BDAAMO CN1CCN(Cc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000095643079 173088427 /nfs/dbraw/zinc/08/84/27/173088427.db2.gz JRYCDLRMCRIXHZ-UHFFFAOYSA-N 1 1 231.343 1.037 50 0 BDAAMO CN1CCN([C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000019796081 173092791 /nfs/dbraw/zinc/09/27/91/173092791.db2.gz SGZLJAMRWOGKGC-ZDUSSCGKSA-N 1 1 237.322 1.073 50 0 BDAAMO C[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@@H](CO)C1 ZINC000019615396 173128115 /nfs/dbraw/zinc/12/81/15/173128115.db2.gz CXRHUYYZISIIMT-YPMHNXCESA-N 1 1 223.291 1.853 50 0 in-vitro BDAAMO C[N@H+]1CC[C@@H](OC(=O)c2ccccc2)C1 ZINC000071773754 173128599 /nfs/dbraw/zinc/12/85/99/173128599.db2.gz CRGMQKXGMWUBIG-LLVKDONJSA-N 1 1 205.257 1.548 50 0 BDAAMO CNC(=O)C[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000071908404 173274011 /nfs/dbraw/zinc/27/40/11/173274011.db2.gz UMBSILQZRHAKFN-LLVKDONJSA-N 1 1 212.337 1.491 50 0 BDAAMO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000048963147 173299060 /nfs/dbraw/zinc/29/90/60/173299060.db2.gz JIOSNSGURRVEHH-LBPRGKRZSA-N 1 1 218.300 1.397 50 0 BDAAMO CNC(=O)[C@@H]1CCC[C@@H]1Nc1cccc(C)[nH+]1 ZINC000336457831 173299518 /nfs/dbraw/zinc/29/95/18/173299518.db2.gz SAMGUPXPDVNMQZ-MNOVXSKESA-N 1 1 233.315 1.717 50 0 BDAAMO COCCCCC(=O)N1[C@H](C)C[N@H+](C)C[C@@H]1C ZINC000095440463 174170427 /nfs/dbraw/zinc/17/04/27/174170427.db2.gz NFQLFRGXBWBSPX-TXEJJXNPSA-N 1 1 242.363 1.354 50 0 BDAAMO COCCN1CC[N@H+](C(C)C)C[C@H]1C ZINC000069920582 174307832 /nfs/dbraw/zinc/30/78/32/174307832.db2.gz OXCIVCCEQYTAGD-LLVKDONJSA-N 1 1 200.326 1.047 50 0 BDAAMO COCC[N@@H+]1CCN(C(C)C)C[C@H]1C ZINC000069920582 174307834 /nfs/dbraw/zinc/30/78/34/174307834.db2.gz OXCIVCCEQYTAGD-LLVKDONJSA-N 1 1 200.326 1.047 50 0 BDAAMO COCC[N@H+]1CCN(C(C)C)C[C@H]1C ZINC000069920582 174307836 /nfs/dbraw/zinc/30/78/36/174307836.db2.gz OXCIVCCEQYTAGD-LLVKDONJSA-N 1 1 200.326 1.047 50 0 BDAAMO COCCN1CC[N@H+](C(C)C)C[C@@H]1C ZINC000069920583 174308013 /nfs/dbraw/zinc/30/80/13/174308013.db2.gz OXCIVCCEQYTAGD-NSHDSACASA-N 1 1 200.326 1.047 50 0 BDAAMO COCC[N@@H+]1CCN(C(C)C)C[C@@H]1C ZINC000069920583 174308015 /nfs/dbraw/zinc/30/80/15/174308015.db2.gz OXCIVCCEQYTAGD-NSHDSACASA-N 1 1 200.326 1.047 50 0 BDAAMO COCC[N@H+]1CCN(C(C)C)C[C@@H]1C ZINC000069920583 174308016 /nfs/dbraw/zinc/30/80/16/174308016.db2.gz 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ZINC000630049587 361912681 /nfs/dbraw/zinc/91/26/81/361912681.db2.gz GOECLVWOXNEEJM-UHFFFAOYSA-N 1 1 203.245 1.799 50 0 BDAAMO O=C(C[NH+]1CCCC1)Nc1cccc2nonc21 ZINC000032578575 342853435 /nfs/dbraw/zinc/85/34/35/342853435.db2.gz ILTOEWRZSDSFGT-UHFFFAOYSA-N 1 1 246.270 1.257 50 0 BDAAMO C[C@@]1(c2ccccc2)CCC[N@@H+](CCC(N)=O)C1 ZINC000091965268 398303974 /nfs/dbraw/zinc/30/39/74/398303974.db2.gz HIGUWDNQTQIIQS-OAHLLOKOSA-N 1 1 246.354 1.916 50 0 BDAAMO CC(C)[N@@H+](CCC(=O)NC1CC1)C1CC1 ZINC000032804046 342876870 /nfs/dbraw/zinc/87/68/70/342876870.db2.gz QHDRUXJZLFUKGV-UHFFFAOYSA-N 1 1 210.321 1.528 50 0 BDAAMO [NH3+][C@@H]1COc2ccc(Br)cc2C1=O ZINC000096987748 398314368 /nfs/dbraw/zinc/31/43/68/398314368.db2.gz QASJDHIXOGFJAM-SSDOTTSWSA-N 1 1 242.072 1.352 50 0 BDAAMO C[C@H](C(N)=O)[N@H+](C)CCOc1ccc(F)cc1 ZINC000016421344 342910363 /nfs/dbraw/zinc/91/03/63/342910363.db2.gz CBMHQFHIUJVNGR-SECBINFHSA-N 1 1 240.278 1.010 50 0 BDAAMO C[C@H](C(N)=O)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000016421344 342910365 /nfs/dbraw/zinc/91/03/65/342910365.db2.gz CBMHQFHIUJVNGR-SECBINFHSA-N 1 1 240.278 1.010 50 0 BDAAMO Cc1ccc([C@H](C[NH3+])N2CCN(C)CC2)cc1 ZINC000019201107 342943416 /nfs/dbraw/zinc/94/34/16/342943416.db2.gz GZRKBYUICLDFCD-AWEZNQCLSA-N 1 1 233.359 1.242 50 0 BDAAMO Cc1ccc(NC(=O)[C@@H]2CSC[NH2+]2)c(C)c1 ZINC000019427057 342948702 /nfs/dbraw/zinc/94/87/02/342948702.db2.gz WJYKZASSPVLZDZ-NSHDSACASA-N 1 1 236.340 1.904 50 0 BDAAMO CC(C)(C)NC(=O)C[NH2+]Cc1ccco1 ZINC000020056634 342967383 /nfs/dbraw/zinc/96/73/83/342967383.db2.gz PLHJFMOBMRODGG-UHFFFAOYSA-N 1 1 210.277 1.284 50 0 BDAAMO CN(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000022028684 343037018 /nfs/dbraw/zinc/03/70/18/343037018.db2.gz SOTUMZCQANFRAM-ZDUSSCGKSA-N 1 1 204.317 1.823 50 0 BDAAMO CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000022028684 343037019 /nfs/dbraw/zinc/03/70/19/343037019.db2.gz SOTUMZCQANFRAM-ZDUSSCGKSA-N 1 1 204.317 1.823 50 0 BDAAMO CC[NH+]1CCN(CC(=O)c2ccc(C)cc2)CC1 ZINC000022037307 343037588 /nfs/dbraw/zinc/03/75/88/343037588.db2.gz VDYQXOWWVGGPEY-UHFFFAOYSA-N 1 1 246.354 1.815 50 0 BDAAMO CC[NH+]1CCN(C(=O)c2cccc(C)n2)CC1 ZINC000032909039 343244300 /nfs/dbraw/zinc/24/43/00/343244300.db2.gz LBKKBVVAYXZOAY-UHFFFAOYSA-N 1 1 233.315 1.168 50 0 BDAAMO COC(=O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC000034027695 343263754 /nfs/dbraw/zinc/26/37/54/343263754.db2.gz NSKNSUFLKKGHKU-VIFPVBQESA-N 1 1 215.199 1.008 50 0 BDAAMO COC(=O)CC[C@]1(C)C[N@H+](C)[C@@H](C)CC1=O ZINC000016511778 343271222 /nfs/dbraw/zinc/27/12/22/343271222.db2.gz KIOGZDPPKUPOPV-JOYOIKCWSA-N 1 1 227.304 1.239 50 0 BDAAMO COC(=O)CC[C@]1(C)C[N@@H+](C)[C@@H](C)CC1=O ZINC000016511778 343271223 /nfs/dbraw/zinc/27/12/23/343271223.db2.gz KIOGZDPPKUPOPV-JOYOIKCWSA-N 1 1 227.304 1.239 50 0 BDAAMO CCN1CCN(C[C@H]2CCCCC[NH2+]2)CC1 ZINC000034792351 343278526 /nfs/dbraw/zinc/27/85/26/343278526.db2.gz WOKYNTLBARCHPE-CYBMUJFWSA-N 1 1 225.380 1.156 50 0 BDAAMO C[C@H](OC(C)(C)C)[C@H]1C[N@H+]2CCC[C@@H]2CN1 ZINC000072233381 343355728 /nfs/dbraw/zinc/35/57/28/343355728.db2.gz MOQSXZMCEOQADU-QJPTWQEYSA-N 1 1 226.364 1.626 50 0 BDAAMO N[C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC000038536675 343376241 /nfs/dbraw/zinc/37/62/41/343376241.db2.gz YDLCAQYNXGDYTM-ZDUSSCGKSA-N 1 1 204.317 1.652 50 0 BDAAMO C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000039091282 343382002 /nfs/dbraw/zinc/38/20/02/343382002.db2.gz ZAAYKTCDODPVPD-QMMMGPOBSA-N 1 1 200.282 1.215 50 0 BDAAMO CC1(C)C[N@H+](Cc2ccccc2)CCN1 ZINC000041213198 343416759 /nfs/dbraw/zinc/41/67/59/343416759.db2.gz PODCZDOPRYMUSK-UHFFFAOYSA-N 1 1 204.317 1.870 50 0 BDAAMO CC1(C)C[N@@H+](Cc2ccccc2)CCN1 ZINC000041213198 343416761 /nfs/dbraw/zinc/41/67/61/343416761.db2.gz PODCZDOPRYMUSK-UHFFFAOYSA-N 1 1 204.317 1.870 50 0 BDAAMO CN(CC[NH+]1CCOCC1)c1ccccc1 ZINC000041234301 343417252 /nfs/dbraw/zinc/41/72/52/343417252.db2.gz GIZGJZGJZNROSK-UHFFFAOYSA-N 1 1 220.316 1.455 50 0 BDAAMO Nc1ccccc1NCC[NH+]1CCOCC1 ZINC000020383945 537834390 /nfs/dbraw/zinc/83/43/90/537834390.db2.gz VUNFYZZNGWQFHN-UHFFFAOYSA-N 1 1 221.304 1.013 50 0 BDAAMO CCc1c[nH+]c(N)nc1N[C@H]1CCCC[C@@H]1O ZINC000091439841 344281285 /nfs/dbraw/zinc/28/12/85/344281285.db2.gz HZFIWIGTERGTRT-UWVGGRQHSA-N 1 1 236.319 1.337 50 0 BDAAMO CCc1cnc(N(C)C[C@H]2CCCC[N@H+]2C)nc1 ZINC000095371152 344335277 /nfs/dbraw/zinc/33/52/77/344335277.db2.gz NMTKZSVNHXYJAV-CYBMUJFWSA-N 1 1 248.374 1.960 50 0 BDAAMO CCOc1ccc(Cc2c[nH+]c(N)nc2N)cc1 ZINC000000289771 344676759 /nfs/dbraw/zinc/67/67/59/344676759.db2.gz BEACRNXDXGMHKJ-UHFFFAOYSA-N 1 1 244.298 1.631 50 0 biogenic BDAAMO CCN1CCC([NH2+]C[C@@H]2CCCO2)CC1 ZINC000000220867 344647083 /nfs/dbraw/zinc/64/70/83/344647083.db2.gz OODWBMKCUZHHRT-LBPRGKRZSA-N 1 1 212.337 1.239 50 0 BDAAMO C[C@H]1CCC[N@@H+](CCOC(C)(C)C)[C@H]1CO ZINC000110699808 345690781 /nfs/dbraw/zinc/69/07/81/345690781.db2.gz KZYPVBJSAGRHSP-RYUDHWBXSA-N 1 1 229.364 1.894 50 0 BDAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)N[C@@H](C)COC ZINC000061745534 345904654 /nfs/dbraw/zinc/90/46/54/345904654.db2.gz 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/nfs/dbraw/zinc/73/20/30/346732030.db2.gz MRZDGMJFEZTNMD-UHFFFAOYSA-N 1 1 205.305 1.614 50 0 BDAAMO CSC(C)(C)CC[NH2+][C@H](C)c1ncn(C)n1 ZINC000391842621 347120066 /nfs/dbraw/zinc/12/00/66/347120066.db2.gz WUTZQSANWLLPQM-SECBINFHSA-N 1 1 242.392 1.997 50 0 BDAAMO Cc1ccccc1CN1CCC([NH3+])CC1 ZINC000011729461 179272086 /nfs/dbraw/zinc/27/20/86/179272086.db2.gz WFONBGLNOUINIL-UHFFFAOYSA-N 1 1 204.317 1.918 50 0 BDAAMO Cc1ccccc1OCC(=O)N1CC[NH+](C)CC1 ZINC000020169576 179309486 /nfs/dbraw/zinc/30/94/86/179309486.db2.gz UAYSHRCWYUAAJQ-UHFFFAOYSA-N 1 1 248.326 1.148 50 0 BDAAMO CC(C)[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000065588275 191001846 /nfs/dbraw/zinc/00/18/46/191001846.db2.gz ZARXNPGJPAKMOY-LBPRGKRZSA-N 1 1 224.348 1.633 50 0 BDAAMO Cc1nccn1CCC[N@H+](C)C[C@@H]1CCOC1 ZINC000336711418 180235695 /nfs/dbraw/zinc/23/56/95/180235695.db2.gz RFCAKSBLBVMVIO-ZDUSSCGKSA-N 1 1 237.347 1.550 50 0 BDAAMO Cc1[nH+]ccc2c1[C@@](O)(C(F)(F)F)N=CN2 ZINC000036559052 180209203 /nfs/dbraw/zinc/20/92/03/180209203.db2.gz KBLATZAIDDVEMT-MRVPVSSYSA-N 1 1 231.177 1.360 50 0 BDAAMO Cc1n[nH]cc1CNCC[NH+]1CCC(C)CC1 ZINC000040447613 350364610 /nfs/dbraw/zinc/36/46/10/350364610.db2.gz AKXYFSUQXBGAHA-UHFFFAOYSA-N 1 1 236.363 1.540 50 0 BDAAMO CN(C)C[C@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC000601014762 350330103 /nfs/dbraw/zinc/33/01/03/350330103.db2.gz BUUNJRAKOZFHMS-CHWSQXEVSA-N 1 1 204.317 1.551 50 0 BDAAMO Cc1ccc(C[N@@H+]2CCc3nncn3CC2)cc1 ZINC000014988600 350606751 /nfs/dbraw/zinc/60/67/51/350606751.db2.gz WXGSNJJUBBVUQW-UHFFFAOYSA-N 1 1 242.326 1.645 50 0 BDAAMO CCOc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000003349100 352147894 /nfs/dbraw/zinc/14/78/94/352147894.db2.gz YXZHQGIVWYVWJA-UHFFFAOYSA-N 1 1 222.288 1.585 50 0 BDAAMO CCN1CCC[N@@H+](CCC[C@H](C)O)CC1 ZINC000225353728 363135721 /nfs/dbraw/zinc/13/57/21/363135721.db2.gz FCFWWGPHKKCXDP-LBPRGKRZSA-N 1 1 214.353 1.175 50 0 BDAAMO CC[N@@H+]1CCCN(CCC[C@H](C)O)CC1 ZINC000225353728 363135724 /nfs/dbraw/zinc/13/57/24/363135724.db2.gz FCFWWGPHKKCXDP-LBPRGKRZSA-N 1 1 214.353 1.175 50 0 BDAAMO CC[N@H+]1CCCN(CCC[C@H](C)O)CC1 ZINC000225353728 363135729 /nfs/dbraw/zinc/13/57/29/363135729.db2.gz FCFWWGPHKKCXDP-LBPRGKRZSA-N 1 1 214.353 1.175 50 0 BDAAMO COCc1noc(C[NH2+][C@H]2CCCSC2)n1 ZINC000534586719 352589462 /nfs/dbraw/zinc/58/94/62/352589462.db2.gz OGRUUGUQGLWWGU-QMMMGPOBSA-N 1 1 243.332 1.201 50 0 BDAAMO CC(=O)N1CC[NH+](Cc2sccc2C)CC1 ZINC000023281858 188283388 /nfs/dbraw/zinc/28/33/88/188283388.db2.gz UOGVRXUCMNNWRV-UHFFFAOYSA-N 1 1 238.356 1.721 50 0 BDAAMO CC(C)=CC[N@H+]1CCC[C@@H]1Cn1cncn1 ZINC000069840815 188285450 /nfs/dbraw/zinc/28/54/50/188285450.db2.gz XVYUKXUYTAKXNB-GFCCVEGCSA-N 1 1 220.320 1.709 50 0 BDAAMO c1cnn(CC2(CN[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000067433135 188304526 /nfs/dbraw/zinc/30/45/26/188304526.db2.gz SNHHBDOAPHTFAZ-GFCCVEGCSA-N 1 1 234.347 1.005 50 0 BDAAMO C([C@H]1CCOC1)[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000336708565 188358928 /nfs/dbraw/zinc/35/89/28/188358928.db2.gz VCDLHXWNWGLPBI-JHJVBQTASA-N 1 1 225.332 1.666 50 0 BDAAMO C[C@H](C1CC1)[N@H+](Cc1nnnn1C1CC1)C1CC1 ZINC000047909234 356353427 /nfs/dbraw/zinc/35/34/27/356353427.db2.gz GNIBRLMWHALYBB-SECBINFHSA-N 1 1 247.346 1.771 50 0 BDAAMO C[C@H](C1CC1)[N@@H+](Cc1nnnn1C1CC1)C1CC1 ZINC000047909234 356353430 /nfs/dbraw/zinc/35/34/30/356353430.db2.gz GNIBRLMWHALYBB-SECBINFHSA-N 1 1 247.346 1.771 50 0 BDAAMO NC(=O)[C@@H]1CCCC[N@H+]1[C@H]1C=CCCC1 ZINC000066472829 181267989 /nfs/dbraw/zinc/26/79/89/181267989.db2.gz GPOBOYYAZZOPIX-QWRGUYRKSA-N 1 1 208.305 1.435 50 0 BDAAMO NC(=O)[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000000217812 181269765 /nfs/dbraw/zinc/26/97/65/181269765.db2.gz GFLFGLIJRVRQSR-GFCCVEGCSA-N 1 1 224.348 1.764 50 0 BDAAMO CN(CCc1ccncc1)c1ccc(N)c[nH+]1 ZINC000011568726 363468670 /nfs/dbraw/zinc/46/86/70/363468670.db2.gz YSSQPGCRNASJOL-UHFFFAOYSA-N 1 1 228.299 1.738 50 0 BDAAMO CC1(C)[C@H](O)CC[N@H+]1Cc1ccncc1F ZINC000336207126 134132942 /nfs/dbraw/zinc/13/29/42/134132942.db2.gz XYCOFLDZHCWHIX-LLVKDONJSA-N 1 1 224.279 1.566 50 0 BDAAMO C[N@@H+](CC1CCC1)[C@H]1CCC[C@H]1S(C)(=O)=O ZINC000252511399 363489765 /nfs/dbraw/zinc/48/97/65/363489765.db2.gz GJULPFBKSSPPMM-NWDGAFQWSA-N 1 1 245.388 1.684 50 0 BDAAMO C[N@@H+]1CCO[C@@H](C(=O)N2CCCCCCC2)C1 ZINC000089385599 538578890 /nfs/dbraw/zinc/57/88/90/538578890.db2.gz YFMJJLHVPBKCRH-GFCCVEGCSA-N 1 1 240.347 1.110 50 0 BDAAMO C[N@H+]1CCO[C@@H](C(=O)N2CCCCCCC2)C1 ZINC000089385599 538578902 /nfs/dbraw/zinc/57/89/02/538578902.db2.gz YFMJJLHVPBKCRH-GFCCVEGCSA-N 1 1 240.347 1.110 50 0 BDAAMO C[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccco1 ZINC000089938177 538586857 /nfs/dbraw/zinc/58/68/57/538586857.db2.gz SLGYMCNODLULEA-JTQLQIEISA-N 1 1 237.303 1.125 50 0 BDAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccco1 ZINC000089938177 538586861 /nfs/dbraw/zinc/58/68/61/538586861.db2.gz SLGYMCNODLULEA-JTQLQIEISA-N 1 1 237.303 1.125 50 0 BDAAMO CC(C)[N@@H+](CCNC(=O)NC1CC1)C1CC1 ZINC000075127171 356858745 /nfs/dbraw/zinc/85/87/45/356858745.db2.gz MCQVAVYXHCBEIO-UHFFFAOYSA-N 1 1 225.336 1.321 50 0 BDAAMO COC(=O)[C@H]([NH3+])Cc1cccc(C(F)(F)F)c1 ZINC000069553519 491120869 /nfs/dbraw/zinc/12/08/69/491120869.db2.gz XDGIKINZWUTOBE-SECBINFHSA-N 1 1 247.216 1.748 50 0 BDAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)Nc1nccs1 ZINC000089938245 360050054 /nfs/dbraw/zinc/05/00/54/360050054.db2.gz UQLUKHCXVURCGH-MRVPVSSYSA-N 1 1 240.332 1.311 50 0 BDAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1nccs1 ZINC000089938245 360050055 /nfs/dbraw/zinc/05/00/55/360050055.db2.gz UQLUKHCXVURCGH-MRVPVSSYSA-N 1 1 240.332 1.311 50 0 BDAAMO COC[C@H](O)C[N@@H+](C)C[C@@H]1C(C)=CCC[C@H]1C ZINC000249083046 361187735 /nfs/dbraw/zinc/18/77/35/361187735.db2.gz LXIXPPOSKIWXKE-MGPQQGTHSA-N 1 1 241.375 1.918 50 0 BDAAMO Cc1nnc(C[NH2+][C@@H](C)[C@@H](C)n2cccn2)o1 ZINC000070008606 361334183 /nfs/dbraw/zinc/33/41/83/361334183.db2.gz JQBUTONZWXNORF-DTWKUNHWSA-N 1 1 235.291 1.314 50 0 BDAAMO Cc1cnc(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)cn1 ZINC000448552971 201255925 /nfs/dbraw/zinc/25/59/25/201255925.db2.gz MNRQWWXVIVIIPB-CYBMUJFWSA-N 1 1 249.358 1.768 50 0 BDAAMO [NH3+]C1CC[NH+](Cc2ccc(C(=O)[O-])s2)CC1 ZINC000036644453 181345298 /nfs/dbraw/zinc/34/52/98/181345298.db2.gz LVXSEIBCLKHCNS-UHFFFAOYSA-N 1 1 240.328 1.369 50 0 BDAAMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]1C[C@H]1C ZINC000058958035 368380157 /nfs/dbraw/zinc/38/01/57/368380157.db2.gz GENJFCBKOQSMCV-CKYFFXLPSA-N 1 1 235.331 1.600 50 0 BDAAMO C[N@H+](C[C@@H]1CCCO1)[C@H]1CCCC[C@@H]1[NH3+] ZINC000250448907 369527021 /nfs/dbraw/zinc/52/70/21/369527021.db2.gz VEMLLQAIJFCAAS-SRVKXCTJSA-N 1 1 212.337 1.367 50 0 BDAAMO C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCCC[C@@H]1[NH3+] ZINC000250448907 369527025 /nfs/dbraw/zinc/52/70/25/369527025.db2.gz VEMLLQAIJFCAAS-SRVKXCTJSA-N 1 1 212.337 1.367 50 0 BDAAMO O=S1(=O)C=C[C@H]([NH+]2CCCCCC2)C1 ZINC000019789688 371189919 /nfs/dbraw/zinc/18/99/19/371189919.db2.gz MTKJCHWTANGGGP-JTQLQIEISA-N 1 1 215.318 1.173 50 0 BDAAMO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000058209395 182098389 /nfs/dbraw/zinc/09/83/89/182098389.db2.gz CMFIUVYRZPAITL-CQSZACIVSA-N 1 1 244.338 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OC[C@@H]1CCC[N@H+]1C[C@@H](O)c1cccc(F)c1 ZINC000229306598 183119894 /nfs/dbraw/zinc/11/98/94/183119894.db2.gz OSEAZCIPVIVMLF-QWHCGFSZSA-N 1 1 239.290 1.316 50 0 BDAAMO OC[C@H]1CCCN1C[C@@H]1CCC[N@H+]1CC1CC1 ZINC000095418524 183150417 /nfs/dbraw/zinc/15/04/17/183150417.db2.gz CMYSWGZBOWGVBG-UONOGXRCSA-N 1 1 238.375 1.318 50 0 BDAAMO OC[C@H]1CCC[N@@H+]1C[C@@H]1CCCN1CC1CC1 ZINC000095418524 183150419 /nfs/dbraw/zinc/15/04/19/183150419.db2.gz CMYSWGZBOWGVBG-UONOGXRCSA-N 1 1 238.375 1.318 50 0 BDAAMO OC[C@H]1CCC[N@H+]1C[C@@H]1CCCN1CC1CC1 ZINC000095418524 183150420 /nfs/dbraw/zinc/15/04/20/183150420.db2.gz CMYSWGZBOWGVBG-UONOGXRCSA-N 1 1 238.375 1.318 50 0 BDAAMO OC[C@H]1CCC[N@H+]1CCc1cccs1 ZINC000069811714 183150797 /nfs/dbraw/zinc/15/07/97/183150797.db2.gz SIKNWAPLPNBUDM-SNVBAGLBSA-N 1 1 211.330 1.747 50 0 BDAAMO O[C@@H](COC1CCCCC1)C[NH+]1CCOCC1 ZINC000012343524 183181742 /nfs/dbraw/zinc/18/17/42/183181742.db2.gz SVAQYHRSSSDQGD-GFCCVEGCSA-N 1 1 243.347 1.029 50 0 BDAAMO 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O=C1NCC[C@]12CCC[N@H+]2C1CCCCC1 ZINC000585117345 972148917 /nfs/dbraw/zinc/14/89/17/972148917.db2.gz ZCAHHXQOPCFUMZ-CYBMUJFWSA-N 1 1 222.332 1.674 50 0 BDAAMO Cc1cc(C[N@@H+](C)C[C@@H]2CCC(=O)O2)ccn1 ZINC000823714988 968556850 /nfs/dbraw/zinc/55/68/50/968556850.db2.gz CSBFXZVCAHTYEX-LBPRGKRZSA-N 1 1 234.299 1.527 50 0 BDAAMO C[N@@H+](CCC1(O)CCCC1)C[C@@H]1CCC(=O)O1 ZINC000823688759 968557327 /nfs/dbraw/zinc/55/73/27/968557327.db2.gz AFUGCINXHVRCRJ-NSHDSACASA-N 1 1 241.331 1.319 50 0 BDAAMO C[N@H+]1CC[C@@H](Nc2cnc3ccccc3n2)C1 ZINC000048738726 983047436 /nfs/dbraw/zinc/04/74/36/983047436.db2.gz DVSXOYNBMHQPBW-SNVBAGLBSA-N 1 1 228.299 1.746 50 0 BDAAMO Cc1cc(C[N@H+](C)CCn2cnnc2C)on1 ZINC001506410864 988778910 /nfs/dbraw/zinc/77/89/10/988778910.db2.gz GGTTZTMPNOLMLG-UHFFFAOYSA-N 1 1 235.291 1.015 50 0 BDAAMO Cc1cc(C[N@@H+](C)CCn2cnnc2C)on1 ZINC001506410864 988778916 /nfs/dbraw/zinc/77/89/16/988778916.db2.gz GGTTZTMPNOLMLG-UHFFFAOYSA-N 1 1 235.291 1.015 50 0 BDAAMO Cc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000074996929 178004608 /nfs/dbraw/zinc/00/46/08/178004608.db2.gz MNPPUVIAYSPDMQ-OLZOCXBDSA-N 1 1 235.331 1.652 50 0 BDAAMO Cc1cc(CN2C[C@H]([NH3+])[C@@H](C(C)C)C2)n[nH]1 ZINC000092020808 178007833 /nfs/dbraw/zinc/00/78/33/178007833.db2.gz OWCLOJZGEPHAMW-NEPJUHHUSA-N 1 1 222.336 1.133 50 0 BDAAMO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCCO2)no1 ZINC000183404873 178028732 /nfs/dbraw/zinc/02/87/32/178028732.db2.gz OFHJWVJOHFORHJ-ONGXEEELSA-N 1 1 210.277 1.640 50 0 BDAAMO Cc1cc(N)[nH+]c(C)c1I ZINC000012359371 178109511 /nfs/dbraw/zinc/10/95/11/178109511.db2.gz KJDKMUXRVKLPJF-UHFFFAOYSA-N 1 1 248.067 1.885 50 0 BDAAMO Cc1cc(NC(=O)C[NH+](C)C)c(C)c(C)c1O ZINC000188884365 178130063 /nfs/dbraw/zinc/13/00/63/178130063.db2.gz ZCBYRQAXBBHIJN-UHFFFAOYSA-N 1 1 236.315 1.818 50 0 BDAAMO Cc1cc(NC(=O)Cn2cc[nH+]c2C(C)C)no1 ZINC000123554735 178136066 /nfs/dbraw/zinc/13/60/66/178136066.db2.gz VDUBGPIDBDBUMP-UHFFFAOYSA-N 1 1 248.286 1.942 50 0 BDAAMO CC[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000000041063 342670914 /nfs/dbraw/zinc/67/09/14/342670914.db2.gz KPMMLEFKDPBPIN-UHFFFAOYSA-N 1 1 236.290 1.603 50 0 BDAAMO COC(=O)C1=C(O)C[N@H+](Cc2ccccc2)CC1 ZINC000001680221 342708578 /nfs/dbraw/zinc/70/85/78/342708578.db2.gz ZBQNYNWPYXTUTB-GFCCVEGCSA-N 1 1 247.294 1.251 50 0 BDAAMO COC(=O)C1=C(O)C[N@@H+](Cc2ccccc2)CC1 ZINC000001680221 342708580 /nfs/dbraw/zinc/70/85/80/342708580.db2.gz ZBQNYNWPYXTUTB-GFCCVEGCSA-N 1 1 247.294 1.251 50 0 BDAAMO O=C1C=CC[C@@H]2[C@H]3CCC[N@H+]4CCC[C@@H](CN12)[C@@H]34 ZINC000003881784 342738848 /nfs/dbraw/zinc/73/88/48/342738848.db2.gz AAGFPTSOPGCENQ-JLNYLFASSA-N 1 1 246.354 1.648 50 0 biogenic,in-vitro BDAAMO Cc1cnn(C[C@@H](C)[NH2+]Cc2cscn2)c1 ZINC000069490225 398330216 /nfs/dbraw/zinc/33/02/16/398330216.db2.gz UJSAPYPKLFRWCL-SNVBAGLBSA-N 1 1 236.344 1.826 50 0 BDAAMO C[C@H]([NH3+])c1nc(COc2ccccc2)no1 ZINC000019786430 342957480 /nfs/dbraw/zinc/95/74/80/342957480.db2.gz LBBDBBPFQLJCLK-QMMMGPOBSA-N 1 1 219.244 1.668 50 0 BDAAMO CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020174572 342973788 /nfs/dbraw/zinc/97/37/88/342973788.db2.gz FNLXJRLWMCLBRC-UHFFFAOYSA-N 1 1 218.300 1.351 50 0 BDAAMO C[C@H]1C[C@@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000246948546 342989929 /nfs/dbraw/zinc/98/99/29/342989929.db2.gz RZZMOAWLZHJQET-ZZIFITQXSA-N 1 1 236.359 1.774 50 0 BDAAMO CC[NH+]1CCN(C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000032779787 343087250 /nfs/dbraw/zinc/08/72/50/343087250.db2.gz VEUDKDSNRNPNCS-UHFFFAOYSA-N 1 1 248.330 1.065 50 0 BDAAMO C[C@H](C[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000013771974 343104114 /nfs/dbraw/zinc/10/41/14/343104114.db2.gz COBNTSYACIFRCW-TZMCWYRMSA-N 1 1 246.354 1.987 50 0 BDAAMO [NH3+]Cc1noc(-c2c(F)cccc2F)n1 ZINC000029866040 343147922 /nfs/dbraw/zinc/14/79/22/343147922.db2.gz DTUIHQZCUJWJDJ-UHFFFAOYSA-N 1 1 211.171 1.474 50 0 BDAAMO CCN1CCC([N@H+]2CCC[C@H](CO)C2)CC1 ZINC000000280473 343269440 /nfs/dbraw/zinc/26/94/40/343269440.db2.gz KIDHIAQSMIHXPR-LBPRGKRZSA-N 1 1 226.364 1.175 50 0 BDAAMO C[C@@H]1C[N@@H+](C)CC[C@@]1(O)C(=O)c1ccccc1 ZINC000004480557 343273331 /nfs/dbraw/zinc/27/33/31/343273331.db2.gz FVSPEICUIGLILX-RISCZKNCSA-N 1 1 233.311 1.572 50 0 BDAAMO c1ccc2c(c1)CC([NH+]1CCNCC1)C2 ZINC000038086763 343369667 /nfs/dbraw/zinc/36/96/67/343369667.db2.gz KZTQJRQEVNIIDS-UHFFFAOYSA-N 1 1 202.301 1.059 50 0 BDAAMO COc1c(C)c[nH+]c(Cn2ccc(N)n2)c1C ZINC000037418765 343345084 /nfs/dbraw/zinc/34/50/84/343345084.db2.gz GYZIXLPGIYGTBA-UHFFFAOYSA-N 1 1 232.287 1.534 50 0 BDAAMO Cn1cc([C@H](CN)[NH+](C)C)c2ccccc21 ZINC000041230474 343417357 /nfs/dbraw/zinc/41/73/57/343417357.db2.gz ZJZKBTKAHBXKSR-ZDUSSCGKSA-N 1 1 217.316 1.740 50 0 BDAAMO CN(C[C@H]1CCCOC1)CC(C)(C)[NH3+] ZINC000082545728 343447848 /nfs/dbraw/zinc/44/78/48/343447848.db2.gz HYGNAMHNQNZXBE-SNVBAGLBSA-N 1 1 200.326 1.082 50 0 BDAAMO C[N@H+](C[C@H]1CCCOC1)CC(C)(C)N ZINC000082545728 343447849 /nfs/dbraw/zinc/44/78/49/343447849.db2.gz HYGNAMHNQNZXBE-SNVBAGLBSA-N 1 1 200.326 1.082 50 0 BDAAMO C[N@@H+](C[C@H]1CCCOC1)CC(C)(C)N ZINC000082545728 343447852 /nfs/dbraw/zinc/44/78/52/343447852.db2.gz HYGNAMHNQNZXBE-SNVBAGLBSA-N 1 1 200.326 1.082 50 0 BDAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(N)=O ZINC000000517532 346959024 /nfs/dbraw/zinc/95/90/24/346959024.db2.gz RODFWRRWTVZHGA-DGCLKSJQSA-N 1 1 245.326 1.681 50 0 biogenic BDAAMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC=C(F)C1 ZINC000334606396 343894255 /nfs/dbraw/zinc/89/42/55/343894255.db2.gz RMWVOHVGPGUFPD-SNVBAGLBSA-N 1 1 212.268 1.166 50 0 BDAAMO C[C@@H]1C[C@H](O)C[N@H+](Cc2ccncc2F)C1 ZINC000334733247 343903334 /nfs/dbraw/zinc/90/33/34/343903334.db2.gz KSNMEZMKIJWGOD-KOLCDFICSA-N 1 1 224.279 1.423 50 0 BDAAMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2ccncc2F)C1 ZINC000334733247 343903335 /nfs/dbraw/zinc/90/33/35/343903335.db2.gz KSNMEZMKIJWGOD-KOLCDFICSA-N 1 1 224.279 1.423 50 0 BDAAMO C[C@@H]1C[C@@H](CN(C)Cc2nnc[nH]2)CCO1 ZINC000408145065 344159909 /nfs/dbraw/zinc/15/99/09/344159909.db2.gz PKSMCXUEDYQTHS-ZJUUUORDSA-N 1 1 224.308 1.052 50 0 BDAAMO CC[N@H+]1CCC[C@H](CNCc2c[nH]nc2C)C1 ZINC000097160166 344162640 /nfs/dbraw/zinc/16/26/40/344162640.db2.gz GNLAAPMTRFBZII-GFCCVEGCSA-N 1 1 236.363 1.540 50 0 BDAAMO NC(=O)[C@H]1CCN(c2cc[nH+]c3ccsc32)C1 ZINC000095402814 344337801 /nfs/dbraw/zinc/33/78/01/344337801.db2.gz VGASWTWXKCGYAI-QMMMGPOBSA-N 1 1 247.323 1.608 50 0 BDAAMO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000000355249 344725135 /nfs/dbraw/zinc/72/51/35/344725135.db2.gz FPYLXVNEFKKEOU-LLVKDONJSA-N 1 1 236.315 1.836 50 0 BDAAMO Cc1[nH+]ccn1C1CN(C(=O)C2CCCC2)C1 ZINC000409421320 344968982 /nfs/dbraw/zinc/96/89/82/344968982.db2.gz RMBIDGNZFWMTFO-UHFFFAOYSA-N 1 1 233.315 1.765 50 0 BDAAMO c1cnn(C[C@@H]2CCC[N@H+]2C[C@H]2CCCCO2)c1 ZINC000248130800 345345721 /nfs/dbraw/zinc/34/57/21/345345721.db2.gz YMUZQQRZFXONHJ-UONOGXRCSA-N 1 1 249.358 1.917 50 0 BDAAMO C[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000685939517 537929283 /nfs/dbraw/zinc/92/92/83/537929283.db2.gz NFLYKUNPBFDIJV-IKOXMDCHSA-N 1 1 248.370 1.585 50 0 BDAAMO Cc1cccc(N(C)CCNC(=O)C(C)C)[nH+]1 ZINC000158315727 179115561 /nfs/dbraw/zinc/11/55/61/179115561.db2.gz QPRMNVYMXVEQJS-UHFFFAOYSA-N 1 1 235.331 1.598 50 0 BDAAMO Cc1cccc(NC(=O)[C@@H]2CSC[NH2+]2)c1 ZINC000019423318 179139530 /nfs/dbraw/zinc/13/95/30/179139530.db2.gz XLMXCVHKDZIMAH-JTQLQIEISA-N 1 1 222.313 1.596 50 0 BDAAMO C[C@H](O)[C@H]1CCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000110695201 347341841 /nfs/dbraw/zinc/34/18/41/347341841.db2.gz JEVHLBXGBCKQKP-TUAOUCFPSA-N 1 1 213.321 1.116 50 0 BDAAMO Cc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000039490685 179298489 /nfs/dbraw/zinc/29/84/89/179298489.db2.gz PEYPGBUPHYMZID-GFCCVEGCSA-N 1 1 248.326 1.390 50 0 BDAAMO Cc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](O)C1 ZINC000039490685 179298490 /nfs/dbraw/zinc/29/84/90/179298490.db2.gz PEYPGBUPHYMZID-GFCCVEGCSA-N 1 1 248.326 1.390 50 0 BDAAMO Cc1ccccc1[C@H]1CC[N@H+](CCN)C1 ZINC000023093520 179346618 /nfs/dbraw/zinc/34/66/18/179346618.db2.gz NJVXTICIQNKNSS-LBPRGKRZSA-N 1 1 204.317 1.743 50 0 BDAAMO Cc1ccccc1[C@H]1CC[N@@H+](CCN)C1 ZINC000023093520 179346620 /nfs/dbraw/zinc/34/66/20/179346620.db2.gz NJVXTICIQNKNSS-LBPRGKRZSA-N 1 1 204.317 1.743 50 0 BDAAMO CC(C)CNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000047992511 490168665 /nfs/dbraw/zinc/16/86/65/490168665.db2.gz IJKKEZUIHZKNPK-SNVBAGLBSA-N 1 1 230.377 1.196 50 0 BDAAMO Cc1cccc(NCCOC[C@H]2CCCO2)[nH+]1 ZINC000097163310 191058856 /nfs/dbraw/zinc/05/88/56/191058856.db2.gz QAPTZNQLNUOQTE-GFCCVEGCSA-N 1 1 236.315 1.998 50 0 BDAAMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000098013106 191061711 /nfs/dbraw/zinc/06/17/11/191061711.db2.gz IYEUCLZXFMVMTO-GFCCVEGCSA-N 1 1 219.332 1.860 50 0 BDAAMO Cc1[nH+]ccn1CCNC(=O)/C=C/c1ccco1 ZINC000049460700 180253473 /nfs/dbraw/zinc/25/34/73/180253473.db2.gz KHKOBVDIBMJQEB-SNAWJCMRSA-N 1 1 245.282 1.614 50 0 BDAAMO Cc1nn(C)cc1CNc1nc(N(C)C)cc[nH+]1 ZINC000097145611 180374969 /nfs/dbraw/zinc/37/49/69/180374969.db2.gz OMCNMZPPTQZARN-UHFFFAOYSA-N 1 1 246.318 1.197 50 0 BDAAMO CC[N@H+]1CCC[C@H]1Cn1c2ccccc2[nH]c1=O ZINC000258246899 351064938 /nfs/dbraw/zinc/06/49/38/351064938.db2.gz XOEWPPGEHWSBMW-NSHDSACASA-N 1 1 245.326 1.814 50 0 BDAAMO C([C@H]1CCOC1)[N@H+]1CCOCC12CCCC2 ZINC000170057447 187646154 /nfs/dbraw/zinc/64/61/54/187646154.db2.gz QNOTYLGOHAYNSM-GFCCVEGCSA-N 1 1 225.332 1.668 50 0 BDAAMO C[C@@H](F)CC[N@@H+]1CCOC[C@]12CCOC2 ZINC000335794423 352558065 /nfs/dbraw/zinc/55/80/65/352558065.db2.gz RCXOWWNNPJEQQN-GHMZBOCLSA-N 1 1 217.284 1.226 50 0 BDAAMO C[C@@H](F)CC[N@H+]1CCOC[C@]12CCOC2 ZINC000335794423 352558067 /nfs/dbraw/zinc/55/80/67/352558067.db2.gz RCXOWWNNPJEQQN-GHMZBOCLSA-N 1 1 217.284 1.226 50 0 BDAAMO C[C@H](F)CC[N@@H+]1CCOC[C@]12CCOC2 ZINC000335794426 352558082 /nfs/dbraw/zinc/55/80/82/352558082.db2.gz RCXOWWNNPJEQQN-WDEREUQCSA-N 1 1 217.284 1.226 50 0 BDAAMO C[C@H](F)CC[N@H+]1CCOC[C@]12CCOC2 ZINC000335794426 352558087 /nfs/dbraw/zinc/55/80/87/352558087.db2.gz RCXOWWNNPJEQQN-WDEREUQCSA-N 1 1 217.284 1.226 50 0 BDAAMO CCN1CC[C@H]([NH2+][C@@H]2CCSC2)C[C@H]1C ZINC000309040255 538110172 /nfs/dbraw/zinc/11/01/72/538110172.db2.gz KSPRLIGDOJXHNA-GRYCIOLGSA-N 1 1 228.405 1.954 50 0 BDAAMO COc1ccc2nc(CCC[NH3+])[nH]c2c1 ZINC000019737148 188281854 /nfs/dbraw/zinc/28/18/54/188281854.db2.gz UFXLAXGCSCHCGO-UHFFFAOYSA-N 1 1 205.261 1.463 50 0 BDAAMO COc1ncccc1C[NH2+]Cc1c(C)n[nH]c1C ZINC000037650267 188286807 /nfs/dbraw/zinc/28/68/07/188286807.db2.gz JHBHVBYUZIXIJS-UHFFFAOYSA-N 1 1 246.314 1.720 50 0 BDAAMO CC(C)[N@H+](CC(N)=O)Cc1ccsc1 ZINC000161711249 188334422 /nfs/dbraw/zinc/33/44/22/188334422.db2.gz PYPBEHBCUBIKLW-UHFFFAOYSA-N 1 1 212.318 1.444 50 0 BDAAMO CC(C)[N@@H+](CC(N)=O)Cc1ccsc1 ZINC000161711249 188334424 /nfs/dbraw/zinc/33/44/24/188334424.db2.gz PYPBEHBCUBIKLW-UHFFFAOYSA-N 1 1 212.318 1.444 50 0 BDAAMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1cc[nH]n1 ZINC000188036310 188349033 /nfs/dbraw/zinc/34/90/33/188349033.db2.gz VFLKSEIXNVVQNI-CYBMUJFWSA-N 1 1 237.347 1.783 50 0 BDAAMO O=C1CCC[C@H]2[C@H]3C[C@@H](CN12)[C@H]1CCCC[N@H+]1C3 ZINC000001408501 353417195 /nfs/dbraw/zinc/41/71/95/353417195.db2.gz JYIJIIVLEOETIQ-FQUUOJAGSA-N 1 1 248.370 1.872 50 0 BDAAMO CC(C)N1CCC([NH2+][C@H]2CCCC[C@H]2O)CC1 ZINC000051990737 188399857 /nfs/dbraw/zinc/39/98/57/188399857.db2.gz BFYSADBFTABSCZ-UONOGXRCSA-N 1 1 240.391 1.752 50 0 BDAAMO NC(=O)CC[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000032854356 181222794 /nfs/dbraw/zinc/22/27/94/181222794.db2.gz YWSZQLMDHKHBLB-UHFFFAOYSA-N 1 1 246.310 1.357 50 0 BDAAMO Cn1ccnc1[C@H]([NH3+])c1ccc(F)c(F)c1 ZINC000013999898 356367967 /nfs/dbraw/zinc/36/79/67/356367967.db2.gz KNMUEJFWJANZDS-SNVBAGLBSA-N 1 1 223.226 1.746 50 0 BDAAMO C[C@H]1C[N@@H+](C)CCN1Cc1nc2ccccc2o1 ZINC000089939312 360049338 /nfs/dbraw/zinc/04/93/38/360049338.db2.gz AUFHJNFYMBSRGG-NSHDSACASA-N 1 1 245.326 1.964 50 0 BDAAMO Cc1cnc(C[N@H+]2CC[C@H](O)CC(C)(C)C2)cn1 ZINC000448552972 201255918 /nfs/dbraw/zinc/25/59/18/201255918.db2.gz MNRQWWXVIVIIPB-ZDUSSCGKSA-N 1 1 249.358 1.768 50 0 BDAAMO CC(C)[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000015447710 541492532 /nfs/dbraw/zinc/49/25/32/541492532.db2.gz MFNUXZLVLBFMAL-UHFFFAOYSA-N 1 1 231.299 1.763 50 0 BDAAMO CC(C)[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000015447710 541492536 /nfs/dbraw/zinc/49/25/36/541492536.db2.gz MFNUXZLVLBFMAL-UHFFFAOYSA-N 1 1 231.299 1.763 50 0 BDAAMO CN1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000039348981 368376497 /nfs/dbraw/zinc/37/64/97/368376497.db2.gz TWPUPYDZIUZHII-KBPBESRZSA-N 1 1 216.328 1.680 50 0 BDAAMO C[NH+]1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC000039348981 368376504 /nfs/dbraw/zinc/37/65/04/368376504.db2.gz TWPUPYDZIUZHII-KBPBESRZSA-N 1 1 216.328 1.680 50 0 BDAAMO OC[C@@H]1C[C@@H](O)CC[N@H+]1Cc1ccccc1 ZINC000117385357 368386806 /nfs/dbraw/zinc/38/68/06/368386806.db2.gz RWRUUJIGSSPHBC-STQMWFEESA-N 1 1 221.300 1.004 50 0 BDAAMO C[N@@H+](CCCO)C[C@H]1COc2ccccc2O1 ZINC000067127051 368678369 /nfs/dbraw/zinc/67/83/69/368678369.db2.gz RPJSQVJBPKOGGZ-NSHDSACASA-N 1 1 237.299 1.141 50 0 BDAAMO CCC[N@H+]1CC[C@H](CNc2ccncc2F)C1 ZINC000584890900 369038577 /nfs/dbraw/zinc/03/85/77/369038577.db2.gz MARAEQKDHRGPLA-LLVKDONJSA-N 1 1 237.322 1.786 50 0 BDAAMO CCO[C@H]1COC[C@@H]1Nc1[nH+]cnc2[nH]ccc21 ZINC000584894757 369041806 /nfs/dbraw/zinc/04/18/06/369041806.db2.gz LNKBGUJUQWVXED-UWVGGRQHSA-N 1 1 248.286 1.174 50 0 BDAAMO CC[NH+]1CCN(C[C@@H](O)Cc2ccccc2)CC1 ZINC000095348850 371271738 /nfs/dbraw/zinc/27/17/38/371271738.db2.gz XISIKIZNGAVART-HNNXBMFYSA-N 1 1 248.370 1.228 50 0 BDAAMO CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCO[C@H](CO)C1 ZINC000215607824 371596276 /nfs/dbraw/zinc/59/62/76/371596276.db2.gz NHPUVPLQMKVLTF-MELADBBJSA-N 1 1 239.359 1.672 50 0 BDAAMO CC1(C)COCC[N@@H+]1Cc1cccnc1 ZINC000069438525 373276484 /nfs/dbraw/zinc/27/64/84/373276484.db2.gz VXGSFBLYZXDCLL-UHFFFAOYSA-N 1 1 206.289 1.692 50 0 BDAAMO CC1(C)COCC[N@H+]1Cc1cccnc1 ZINC000069438525 373276495 /nfs/dbraw/zinc/27/64/95/373276495.db2.gz VXGSFBLYZXDCLL-UHFFFAOYSA-N 1 1 206.289 1.692 50 0 BDAAMO CC(C)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000009481431 374140513 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/nfs/dbraw/zinc/18/68/18/169186818.db2.gz ASWQIEUYVSQWRV-ZDUSSCGKSA-N 1 1 240.391 1.565 50 0 BDAAMO CCC[NH+]1CCN(C(=O)c2ccc(C)nc2)CC1 ZINC000032895458 169202122 /nfs/dbraw/zinc/20/21/22/169202122.db2.gz AMAPEAXZODKAIW-UHFFFAOYSA-N 1 1 247.342 1.558 50 0 BDAAMO c1ccc(-c2n[nH]c([C@@H]3CCC[NH2+]3)n2)cc1 ZINC000042013529 183382090 /nfs/dbraw/zinc/38/20/90/183382090.db2.gz QCEJBMDFLLICFF-JTQLQIEISA-N 1 1 214.272 1.896 50 0 BDAAMO CCCOCC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000089960247 169303298 /nfs/dbraw/zinc/30/32/98/169303298.db2.gz JZABZBOYPBPQQZ-LBPRGKRZSA-N 1 1 242.363 1.212 50 0 BDAAMO CCC[C@H](C)[N@H+]1CCCN(CCOC)C(=O)C1 ZINC000192843710 169490545 /nfs/dbraw/zinc/49/05/45/169490545.db2.gz VJKRDPNZJKYCSF-LBPRGKRZSA-N 1 1 242.363 1.356 50 0 BDAAMO C[C@H]1c2cccn2CC[N@H+]1CCn1cccn1 ZINC000066411527 383860253 /nfs/dbraw/zinc/86/02/53/383860253.db2.gz KYJJSMBRTZRUCF-LBPRGKRZSA-N 1 1 230.315 1.761 50 0 BDAAMO C[C@H]1c2cccn2CC[N@@H+]1CCn1cccn1 ZINC000066411527 383860261 /nfs/dbraw/zinc/86/02/61/383860261.db2.gz KYJJSMBRTZRUCF-LBPRGKRZSA-N 1 1 230.315 1.761 50 0 BDAAMO CC(=O)NCc1cc(F)ccc1-n1cc[nH+]c1C ZINC000071886026 383896889 /nfs/dbraw/zinc/89/68/89/383896889.db2.gz RGYZPXYSWRZCSF-UHFFFAOYSA-N 1 1 247.273 1.956 50 0 BDAAMO CC(C)[C@]1(O)C[N@@H+](Cc2ncc[nH]2)C[C@H]1C ZINC000091548383 384132309 /nfs/dbraw/zinc/13/23/09/384132309.db2.gz ZJVGGFFCIATZFE-ZYHUDNBSSA-N 1 1 223.320 1.249 50 0 BDAAMO CC[C@@H](C(=O)c1ccc2c(c1)OCO2)[NH+](C)C ZINC000071746327 384176883 /nfs/dbraw/zinc/17/68/83/384176883.db2.gz USEBIPUIVPERGC-JTQLQIEISA-N 1 1 235.283 1.938 50 0 in-vitro BDAAMO C[N@@H+](C[C@@H](O)c1ccccc1)C(C)(C)CO ZINC000071914565 384184011 /nfs/dbraw/zinc/18/40/11/384184011.db2.gz YHWCAIQIEHUPEA-GFCCVEGCSA-N 1 1 223.316 1.423 50 0 BDAAMO CCO[C@@H]1CCC[N@H+](CC(=O)NCC(C)C)C1 ZINC000071915715 384191979 /nfs/dbraw/zinc/19/19/79/384191979.db2.gz HBIIPBOKDAKETD-GFCCVEGCSA-N 1 1 242.363 1.260 50 0 BDAAMO CCO[C@@H]1CCC[N@@H+](CC(=O)NCC(C)C)C1 ZINC000071915715 384191985 /nfs/dbraw/zinc/19/19/85/384191985.db2.gz HBIIPBOKDAKETD-GFCCVEGCSA-N 1 1 242.363 1.260 50 0 BDAAMO O=C1CC[N@@H+](Cc2cccc(F)c2)CCN1 ZINC000054867666 384214727 /nfs/dbraw/zinc/21/47/27/384214727.db2.gz JWETZXHKSXXXKK-UHFFFAOYSA-N 1 1 222.263 1.148 50 0 BDAAMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CC(N)=O)C1 ZINC000075843346 384342295 /nfs/dbraw/zinc/34/22/95/384342295.db2.gz HXBIWYGEQCCBAI-BXKDBHETSA-N 1 1 236.290 1.694 50 0 BDAAMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(N)=O)C1 ZINC000075843346 384342302 /nfs/dbraw/zinc/34/23/02/384342302.db2.gz HXBIWYGEQCCBAI-BXKDBHETSA-N 1 1 236.290 1.694 50 0 BDAAMO Cc1noc(C[N@H+](C)CCC2CCOCC2)n1 ZINC000120483122 384355911 /nfs/dbraw/zinc/35/59/11/384355911.db2.gz HENVRRPBRQSUGG-UHFFFAOYSA-N 1 1 239.319 1.627 50 0 BDAAMO Cc1noc(C[N@@H+](C)CCC2CCOCC2)n1 ZINC000120483122 384355919 /nfs/dbraw/zinc/35/59/19/384355919.db2.gz HENVRRPBRQSUGG-UHFFFAOYSA-N 1 1 239.319 1.627 50 0 BDAAMO c1ccc2c(c1)CCN(C1CC[NH2+]CC1)C2 ZINC000014808485 384405885 /nfs/dbraw/zinc/40/58/85/384405885.db2.gz IKPZUTBWXLFVAL-UHFFFAOYSA-N 1 1 216.328 1.797 50 0 BDAAMO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H]([NH3+])C1 ZINC000098095587 384594185 /nfs/dbraw/zinc/59/41/85/384594185.db2.gz QQCPPJQFZYGBHZ-SSDOTTSWSA-N 1 1 236.262 1.590 50 0 BDAAMO COC(=O)[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000050974634 384654035 /nfs/dbraw/zinc/65/40/35/384654035.db2.gz UBXOGDCEHWDILC-AWEZNQCLSA-N 1 1 249.310 1.187 50 0 BDAAMO CC(C)[C@@H]1C(=O)NCC[N@@H+]1CC1CCC1 ZINC000084456522 384716535 /nfs/dbraw/zinc/71/65/35/384716535.db2.gz LLGSZBAWGGTUJZ-LLVKDONJSA-N 1 1 210.321 1.243 50 0 BDAAMO CCc1ccc(C[N@@H+](CC)C[C@@H](O)CO)cc1 ZINC000055227972 384877696 /nfs/dbraw/zinc/87/76/96/384877696.db2.gz YYAHQCOFBZONLV-CQSZACIVSA-N 1 1 237.343 1.424 50 0 BDAAMO [NH3+]Cc1nnc(-c2ccncc2F)s1 ZINC000084099593 384840428 /nfs/dbraw/zinc/84/04/28/384840428.db2.gz AWLJLTIPZFCKDN-UHFFFAOYSA-N 1 1 210.237 1.198 50 0 BDAAMO CO[C@H]1C[N@@H+](Cc2cncs2)CC[C@@H]1C ZINC000188310623 384898350 /nfs/dbraw/zinc/89/83/50/384898350.db2.gz UXYBJSJEXNRBGO-ONGXEEELSA-N 1 1 226.345 2.000 50 0 BDAAMO Cn1ccnc1C[N@@H+]1CCCSCC1 ZINC000095441995 384907790 /nfs/dbraw/zinc/90/77/90/384907790.db2.gz BVSGIZIOBFUBGL-UHFFFAOYSA-N 1 1 211.334 1.359 50 0 BDAAMO Cn1ccnc1C[N@H+]1CCCSCC1 ZINC000095441995 384907797 /nfs/dbraw/zinc/90/77/97/384907797.db2.gz BVSGIZIOBFUBGL-UHFFFAOYSA-N 1 1 211.334 1.359 50 0 BDAAMO COC[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000062161088 385076089 /nfs/dbraw/zinc/07/60/89/385076089.db2.gz WUGXJICEYRNAIA-LBPRGKRZSA-N 1 1 220.316 1.940 50 0 BDAAMO C[C@H](O)CC[N@H+](C)CCN1CCCCC1 ZINC000096441474 385167574 /nfs/dbraw/zinc/16/75/74/385167574.db2.gz VMVIBSZJIYNJKZ-LBPRGKRZSA-N 1 1 214.353 1.175 50 0 BDAAMO C[C@H](O)CC[N@@H+](C)CCN1CCCCC1 ZINC000096441474 385167576 /nfs/dbraw/zinc/16/75/76/385167576.db2.gz VMVIBSZJIYNJKZ-LBPRGKRZSA-N 1 1 214.353 1.175 50 0 BDAAMO CCSC[C@@H](C)[N@@H+](C)CC(=O)N1CCCC1 ZINC000096483382 385220730 /nfs/dbraw/zinc/22/07/30/385220730.db2.gz HWAVZVUSWVFIER-LLVKDONJSA-N 1 1 244.404 1.682 50 0 BDAAMO [NH3+]C[C@H]1CCCN(Cc2cccc(O)c2)C1 ZINC000044527934 385309513 /nfs/dbraw/zinc/30/95/13/385309513.db2.gz ZSXRVWIWZUXCGB-GFCCVEGCSA-N 1 1 220.316 1.563 50 0 BDAAMO c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)[nH]n1 ZINC000168990648 385398321 /nfs/dbraw/zinc/39/83/21/385398321.db2.gz BBYZZQVNIDVMHI-XQQFMLRXSA-N 1 1 247.342 1.847 50 0 BDAAMO CCc1cc(N[C@H]2CC[S@](=O)C2)nc(C)[nH+]1 ZINC000393736080 386017220 /nfs/dbraw/zinc/01/72/20/386017220.db2.gz BOSZRUWQWCRCKN-QFYYESIMSA-N 1 1 239.344 1.280 50 0 BDAAMO C[C@H](O)C[N@@H+](C)C1CCC(F)(F)CC1 ZINC000334450657 386090330 /nfs/dbraw/zinc/09/03/30/386090330.db2.gz SEHZNQFIGJJSNH-QMMMGPOBSA-N 1 1 207.264 1.877 50 0 BDAAMO CCCc1[nH+]ccn1Cc1cnc(C)cn1 ZINC000225491249 386198116 /nfs/dbraw/zinc/19/81/16/386198116.db2.gz SHVQDCNRRSWPCS-UHFFFAOYSA-N 1 1 216.288 1.982 50 0 BDAAMO FC(F)(F)Cc1nnc([C@@H]2CCCC[NH2+]2)o1 ZINC000225494036 386198351 /nfs/dbraw/zinc/19/83/51/386198351.db2.gz AQHSMKLLCCFRAM-LURJTMIESA-N 1 1 235.209 1.989 50 0 BDAAMO CC(C)[N@@H+](C)CCNC(=O)c1ccccc1O ZINC000054134689 386554718 /nfs/dbraw/zinc/55/47/18/386554718.db2.gz ZQWJDSQSTWTCIW-UHFFFAOYSA-N 1 1 236.315 1.462 50 0 BDAAMO C[C@]1(F)CCC[N@H+](Cc2ccnc(N)c2)C1 ZINC000295380015 387128805 /nfs/dbraw/zinc/12/88/05/387128805.db2.gz KJQBPTDNHAMZBW-LBPRGKRZSA-N 1 1 223.295 1.988 50 0 BDAAMO C[C@]1(F)CCC[N@@H+](Cc2ccnc(N)c2)C1 ZINC000295380015 387128810 /nfs/dbraw/zinc/12/88/10/387128810.db2.gz KJQBPTDNHAMZBW-LBPRGKRZSA-N 1 1 223.295 1.988 50 0 BDAAMO Cc1ccc(O)c(CN2CC[N@H+](C)CC2(C)C)n1 ZINC000093457238 387191299 /nfs/dbraw/zinc/19/12/99/387191299.db2.gz TZWRLIOLONVHBK-UHFFFAOYSA-N 1 1 249.358 1.622 50 0 BDAAMO Cc1ccc(O)c(C[N@H+]2CCN(C)CC2(C)C)n1 ZINC000093457238 387191305 /nfs/dbraw/zinc/19/13/05/387191305.db2.gz TZWRLIOLONVHBK-UHFFFAOYSA-N 1 1 249.358 1.622 50 0 BDAAMO Cc1ccc(O)c(C[N@@H+]2CCN(C)CC2(C)C)n1 ZINC000093457238 387191312 /nfs/dbraw/zinc/19/13/12/387191312.db2.gz 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/nfs/dbraw/zinc/20/56/60/386205660.db2.gz HYNXAULQTVKROM-GHMZBOCLSA-N 1 1 249.314 1.873 50 0 BDAAMO C1CC(c2nc([C@H]3C[N@H+]4CCC[C@@H]4CO3)no2)C1 ZINC000225599780 386205662 /nfs/dbraw/zinc/20/56/62/386205662.db2.gz HYNXAULQTVKROM-GHMZBOCLSA-N 1 1 249.314 1.873 50 0 BDAAMO C([C@H]1CCOC1)[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000336708566 386417923 /nfs/dbraw/zinc/41/79/23/386417923.db2.gz VCDLHXWNWGLPBI-UPJWGTAASA-N 1 1 225.332 1.666 50 0 BDAAMO Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2C)c(=O)[nH]1 ZINC000585130739 386679698 /nfs/dbraw/zinc/67/96/98/386679698.db2.gz AXWFDQDAHWCPKM-NSHDSACASA-N 1 1 249.314 1.518 50 0 BDAAMO Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2C)c(=O)[nH]1 ZINC000585130739 386679699 /nfs/dbraw/zinc/67/96/99/386679699.db2.gz AXWFDQDAHWCPKM-NSHDSACASA-N 1 1 249.314 1.518 50 0 BDAAMO CCc1cc(N(C)Cc2noc(C)n2)nc(C)[nH+]1 ZINC000302184225 386704582 /nfs/dbraw/zinc/70/45/82/386704582.db2.gz OWLWIVQZDGHLKE-UHFFFAOYSA-N 1 1 247.302 1.675 50 0 BDAAMO CC(C)N1CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000051990734 386779419 /nfs/dbraw/zinc/77/94/19/386779419.db2.gz BFYSADBFTABSCZ-ZIAGYGMSSA-N 1 1 240.391 1.752 50 0 BDAAMO C[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)CC(=O)N1 ZINC000334785807 386847714 /nfs/dbraw/zinc/84/77/14/386847714.db2.gz BJZISHPECNBBPG-SECBINFHSA-N 1 1 246.301 1.632 50 0 BDAAMO C[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)CC(=O)N1 ZINC000334785807 386847721 /nfs/dbraw/zinc/84/77/21/386847721.db2.gz BJZISHPECNBBPG-SECBINFHSA-N 1 1 246.301 1.632 50 0 BDAAMO CCCC[N@H+]1CCN(CCOC)[C@@H](CC)C1 ZINC000229387752 387167225 /nfs/dbraw/zinc/16/72/25/387167225.db2.gz GHZBKLXVRWQIAN-ZDUSSCGKSA-N 1 1 228.380 1.829 50 0 BDAAMO CCCCN1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000229387752 387167231 /nfs/dbraw/zinc/16/72/31/387167231.db2.gz GHZBKLXVRWQIAN-ZDUSSCGKSA-N 1 1 228.380 1.829 50 0 BDAAMO CCCCN1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC000229387752 387167233 /nfs/dbraw/zinc/16/72/33/387167233.db2.gz GHZBKLXVRWQIAN-ZDUSSCGKSA-N 1 1 228.380 1.829 50 0 BDAAMO c1ccc2c(c1)CC(N1C[C@@H]3CC[NH2+][C@@H]3C1)C2 ZINC000426388124 387562204 /nfs/dbraw/zinc/56/22/04/387562204.db2.gz GTAPQAQNMQJPAN-DZGCQCFKSA-N 1 1 228.339 1.448 50 0 BDAAMO Cc1n[nH]cc1CNC[C@@H](CC(C)C)[NH+](C)C ZINC000036901688 388005879 /nfs/dbraw/zinc/00/58/79/388005879.db2.gz INFZHULEPCGNGL-CYBMUJFWSA-N 1 1 238.379 1.784 50 0 BDAAMO COCC(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000082276469 388021277 /nfs/dbraw/zinc/02/12/77/388021277.db2.gz HDNXXXVVOYKTIG-UHFFFAOYSA-N 1 1 234.299 1.111 50 0 BDAAMO COCC(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000082276469 388021278 /nfs/dbraw/zinc/02/12/78/388021278.db2.gz HDNXXXVVOYKTIG-UHFFFAOYSA-N 1 1 234.299 1.111 50 0 BDAAMO Cc1n[nH]c(C)c1C[NH2+]C1CCN(C2CC2)CC1 ZINC000037141056 388169313 /nfs/dbraw/zinc/16/93/13/388169313.db2.gz ADQRDUNPVFYSBZ-UHFFFAOYSA-N 1 1 248.374 1.743 50 0 BDAAMO CC(C)[N@@H+](C[C@H](O)CO)C1CCCCC1 ZINC000007157502 388258502 /nfs/dbraw/zinc/25/85/02/388258502.db2.gz FAHMNDTXNHJQNT-LBPRGKRZSA-N 1 1 215.337 1.383 50 0 BDAAMO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000089637923 388355694 /nfs/dbraw/zinc/35/56/94/388355694.db2.gz QUEMIDGVIGJMOF-UWVGGRQHSA-N 1 1 245.344 1.753 50 0 BDAAMO Cc1cnc(C[N@@H+](CCO)C2CCCCC2)cn1 ZINC000089702244 388362333 /nfs/dbraw/zinc/36/23/33/388362333.db2.gz VCVMZCNSAYUTJK-UHFFFAOYSA-N 1 1 249.358 1.912 50 0 BDAAMO CCS[C@@H]1CC[C@H]([N@@H+](C)CCCO)C1 ZINC000076070214 388373200 /nfs/dbraw/zinc/37/32/00/388373200.db2.gz CUMSKDXZHWXNBC-WDEREUQCSA-N 1 1 217.378 1.975 50 0 BDAAMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CCCO)C1 ZINC000076070220 388373288 /nfs/dbraw/zinc/37/32/88/388373288.db2.gz CUMSKDXZHWXNBC-GHMZBOCLSA-N 1 1 217.378 1.975 50 0 BDAAMO CCCC[N@H+]1CCN(CCOC)[C@H](CC)C1 ZINC000069847194 388427356 /nfs/dbraw/zinc/42/73/56/388427356.db2.gz GHZBKLXVRWQIAN-CYBMUJFWSA-N 1 1 228.380 1.829 50 0 BDAAMO CCCCN1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000069847194 388427358 /nfs/dbraw/zinc/42/73/58/388427358.db2.gz GHZBKLXVRWQIAN-CYBMUJFWSA-N 1 1 228.380 1.829 50 0 BDAAMO CCCCN1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC000069847194 388427360 /nfs/dbraw/zinc/42/73/60/388427360.db2.gz GHZBKLXVRWQIAN-CYBMUJFWSA-N 1 1 228.380 1.829 50 0 BDAAMO O=C1OCC[C@H]1[N@@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000069812582 388427457 /nfs/dbraw/zinc/42/74/57/388427457.db2.gz SGNFAQBESGAYRB-VXGBXAGGSA-N 1 1 249.314 1.053 50 0 BDAAMO O=C1OCC[C@H]1[N@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000069812582 388427460 /nfs/dbraw/zinc/42/74/60/388427460.db2.gz SGNFAQBESGAYRB-VXGBXAGGSA-N 1 1 249.314 1.053 50 0 BDAAMO Cc1cc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])n[nH]1 ZINC000070378890 388436178 /nfs/dbraw/zinc/43/61/78/388436178.db2.gz KEDKFWVWTBEAIX-ONGXEEELSA-N 1 1 236.319 1.060 50 0 BDAAMO Cc1cccc(N2CCO[C@@H]([C@H]3CCCO3)C2)[nH+]1 ZINC000253369402 388589369 /nfs/dbraw/zinc/58/93/69/388589369.db2.gz CCTMEHBSDNGDFJ-CHWSQXEVSA-N 1 1 248.326 1.774 50 0 BDAAMO Cc1ccc2n[nH]c(C(=O)N3CC[C@H]([NH3+])C3)c2c1 ZINC000237863848 388595972 /nfs/dbraw/zinc/59/59/72/388595972.db2.gz KZFFTCMKAYPCAI-VIFPVBQESA-N 1 1 244.298 1.045 50 0 BDAAMO CC(C)C(C[N@@H+](C)CCS(C)(=O)=O)C(C)C ZINC000330031660 388753088 /nfs/dbraw/zinc/75/30/88/388753088.db2.gz CDTQRAXXWPJWNQ-UHFFFAOYSA-N 1 1 249.420 1.891 50 0 BDAAMO CC[NH+](CC)Cc1occc1C(=O)OC ZINC000055255969 388693587 /nfs/dbraw/zinc/69/35/87/388693587.db2.gz HMVIXJOJTIHSMX-UHFFFAOYSA-N 1 1 211.261 1.908 50 0 BDAAMO CO[C@H]1CCC[N@@H+](Cc2cnoc2C)C1 ZINC000128492268 388764366 /nfs/dbraw/zinc/76/43/66/388764366.db2.gz NVWFZINGUZKRNE-NSHDSACASA-N 1 1 210.277 1.594 50 0 BDAAMO O=C1CCCN1C[C@@H]1CCCC[N@H+]1CC1CC1 ZINC000095418515 388767616 /nfs/dbraw/zinc/76/76/16/388767616.db2.gz NCEKXAFKTSITPG-ZDUSSCGKSA-N 1 1 236.359 1.873 50 0 BDAAMO CC(C)[C@H]1CN(C)CC[N@H+]1Cc1ccn(C)c1 ZINC000097236863 388835471 /nfs/dbraw/zinc/83/54/71/388835471.db2.gz KFKXRQQBNCEDNB-CQSZACIVSA-N 1 1 235.375 1.797 50 0 BDAAMO CC(C)[C@H]1C[N@H+](C)CCN1Cc1ccn(C)c1 ZINC000097236863 388835474 /nfs/dbraw/zinc/83/54/74/388835474.db2.gz KFKXRQQBNCEDNB-CQSZACIVSA-N 1 1 235.375 1.797 50 0 BDAAMO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1ccn(C)c1 ZINC000097236863 388835478 /nfs/dbraw/zinc/83/54/78/388835478.db2.gz KFKXRQQBNCEDNB-CQSZACIVSA-N 1 1 235.375 1.797 50 0 BDAAMO Cc1cccc(N2CC[C@H](C)[C@H](O)C2)[nH+]1 ZINC000097163410 132312016 /nfs/dbraw/zinc/31/20/16/132312016.db2.gz ZMLYNIIAMGIMGN-GXSJLCMTSA-N 1 1 206.289 1.597 50 0 BDAAMO c1ccc(N2CC[N@@H+]3CCCC[C@H]3C2)nc1 ZINC000264832891 132304560 /nfs/dbraw/zinc/30/45/60/132304560.db2.gz IFHUKUKTYQUIAK-LBPRGKRZSA-N 1 1 217.316 1.756 50 0 BDAAMO C[NH+]1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000034761748 132336894 /nfs/dbraw/zinc/33/68/94/132336894.db2.gz HOYSODSNWMPVMO-UHFFFAOYSA-N 1 1 245.248 1.852 50 0 BDAAMO Cc1cc(N2CCN3CCCC[C@@H]3C2)nc(N)[nH+]1 ZINC000051917407 132361996 /nfs/dbraw/zinc/36/19/96/132361996.db2.gz IMFZTUKLBVNKOJ-LLVKDONJSA-N 1 1 247.346 1.042 50 0 BDAAMO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccccc1 ZINC000087781966 135168662 /nfs/dbraw/zinc/16/86/62/135168662.db2.gz NFCNFNOOTWGKSR-YPMHNXCESA-N 1 1 221.300 1.268 50 0 BDAAMO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccccc1 ZINC000087781966 135168664 /nfs/dbraw/zinc/16/86/64/135168664.db2.gz NFCNFNOOTWGKSR-YPMHNXCESA-N 1 1 221.300 1.268 50 0 BDAAMO Cc1ccsc1C[N@H+](CC(N)=O)C(C)C ZINC000071824966 398018761 /nfs/dbraw/zinc/01/87/61/398018761.db2.gz RLKBCUQBUUTDBL-UHFFFAOYSA-N 1 1 226.345 1.752 50 0 BDAAMO CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000040089038 398076329 /nfs/dbraw/zinc/07/63/29/398076329.db2.gz MGTPZEGFFWIFPK-CQSZACIVSA-N 1 1 232.327 1.787 50 0 BDAAMO CN(C)CCC[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000002109129 398095551 /nfs/dbraw/zinc/09/55/51/398095551.db2.gz SLEPVAIBAAAITG-GFCCVEGCSA-N 1 1 228.380 1.733 50 0 biogenic BDAAMO COC(=O)[C@H]([NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000069553401 398114204 /nfs/dbraw/zinc/11/42/04/398114204.db2.gz FLZVNAUDBQHCMF-SECBINFHSA-N 1 1 247.216 1.748 50 0 BDAAMO CC(C)NCC[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000253393544 167107419 /nfs/dbraw/zinc/10/74/19/167107419.db2.gz HESKUXBLJCRNJM-RYUDHWBXSA-N 1 1 214.353 1.125 50 0 BDAAMO COC[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ncc(C)o1 ZINC000344372670 487557483 /nfs/dbraw/zinc/55/74/83/487557483.db2.gz SADKZCJTGQPXQB-WDEREUQCSA-N 1 1 240.303 1.219 50 0 BDAAMO COC[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ncc(C)o1 ZINC000344372670 487557486 /nfs/dbraw/zinc/55/74/86/487557486.db2.gz SADKZCJTGQPXQB-WDEREUQCSA-N 1 1 240.303 1.219 50 0 BDAAMO CC(C)[N@H+]1Cc2cccc(NCCO)c2C1 ZINC000096009486 167034541 /nfs/dbraw/zinc/03/45/41/167034541.db2.gz MLFPBXCJXSTFIP-UHFFFAOYSA-N 1 1 220.316 1.815 50 0 BDAAMO CC(C)NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000071856581 167071074 /nfs/dbraw/zinc/07/10/74/167071074.db2.gz CYTYIOWUALLTMD-UHFFFAOYSA-N 1 1 227.352 1.568 50 0 BDAAMO CCOC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000066323363 170259258 /nfs/dbraw/zinc/25/92/58/170259258.db2.gz JASVXEYIDKFYPJ-QWHCGFSZSA-N 1 1 233.311 1.895 50 0 BDAAMO CCOC(=O)c1ccc(-n2cc[nH+]c2C)nc1 ZINC000078325477 170294523 /nfs/dbraw/zinc/29/45/23/170294523.db2.gz PRPNJIXRSGANGH-UHFFFAOYSA-N 1 1 231.255 1.752 50 0 BDAAMO CCOCC[N@@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000069529047 170397461 /nfs/dbraw/zinc/39/74/61/170397461.db2.gz SYZIZCPHXXZKHZ-CQSZACIVSA-N 1 1 240.391 1.973 50 0 BDAAMO CCOCC[N@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000069529047 170397462 /nfs/dbraw/zinc/39/74/62/170397462.db2.gz SYZIZCPHXXZKHZ-CQSZACIVSA-N 1 1 240.391 1.973 50 0 BDAAMO CCOCC[N@H+]1CCCC[C@H]1[C@H](O)CC ZINC000071920056 170397894 /nfs/dbraw/zinc/39/78/94/170397894.db2.gz ZHHJFRXPADBSCU-NWDGAFQWSA-N 1 1 215.337 1.648 50 0 BDAAMO CC[N@H+]1CCCC[C@@H]1CNc1nccnc1F ZINC000521398364 411629363 /nfs/dbraw/zinc/62/93/63/411629363.db2.gz AVHIXDVDLXNOIZ-SNVBAGLBSA-N 1 1 238.310 1.902 50 0 BDAAMO CC[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)CCO1 ZINC000027116793 171088658 /nfs/dbraw/zinc/08/86/58/171088658.db2.gz SUYIAHPAENJZIB-CYBMUJFWSA-N 1 1 248.326 1.396 50 0 BDAAMO CC[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)CCO1 ZINC000027116793 171088662 /nfs/dbraw/zinc/08/86/62/171088662.db2.gz SUYIAHPAENJZIB-CYBMUJFWSA-N 1 1 248.326 1.396 50 0 BDAAMO CN(C)C(=O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000069697653 172366291 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CCOC(C[N@H+]1CCO[C@H](C)[C@H]1C)OCC ZINC000248626195 356255632 /nfs/dbraw/zinc/25/56/32/356255632.db2.gz PONWXVYXUCWJPQ-GHMZBOCLSA-N 1 1 231.336 1.495 50 0 BDAAMO NC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000229476957 181268925 /nfs/dbraw/zinc/26/89/25/181268925.db2.gz CJILWIFEBKFTJW-VXGBXAGGSA-N 1 1 222.332 1.540 50 0 BDAAMO NC(=O)[C@@H]1CCC[N@H+]1CCCC1CCCC1 ZINC000081671188 181269217 /nfs/dbraw/zinc/26/92/17/181269217.db2.gz AJFDDEVIYRWVJV-LBPRGKRZSA-N 1 1 224.348 1.907 50 0 BDAAMO NC(=O)[C@H]1CCCC[N@H+]1[C@@H]1C=CCCC1 ZINC000229604791 181279218 /nfs/dbraw/zinc/27/92/18/181279218.db2.gz GPOBOYYAZZOPIX-GHMZBOCLSA-N 1 1 208.305 1.435 50 0 BDAAMO Cc1ccc(C(=O)N2CCC[N@H+](C)CC2)nc1 ZINC000095435244 538603177 /nfs/dbraw/zinc/60/31/77/538603177.db2.gz IBYNZQCCFPZTIP-UHFFFAOYSA-N 1 1 233.315 1.168 50 0 BDAAMO Cc1nnc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)o1 ZINC000132635789 325231846 /nfs/dbraw/zinc/23/18/46/325231846.db2.gz SYZXLFQIDUVGDM-SECBINFHSA-N 1 1 239.319 1.814 50 0 BDAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccccn1 ZINC000089938201 360049918 /nfs/dbraw/zinc/04/99/18/360049918.db2.gz CAHWIJQFHSYQGG-SNVBAGLBSA-N 1 1 234.303 1.249 50 0 BDAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccccn1 ZINC000089938201 360049921 /nfs/dbraw/zinc/04/99/21/360049921.db2.gz CAHWIJQFHSYQGG-SNVBAGLBSA-N 1 1 234.303 1.249 50 0 BDAAMO Cc1cnc(C2CCOCC2)n1CC[NH3+] ZINC000169793059 361130618 /nfs/dbraw/zinc/13/06/18/361130618.db2.gz IGEVZBYHMIWDCJ-UHFFFAOYSA-N 1 1 209.293 1.044 50 0 BDAAMO Cc1[nH+]ccn1[C@H](C)C(=O)NCCC(F)(F)F ZINC000426379592 200981834 /nfs/dbraw/zinc/98/18/34/200981834.db2.gz CBWHPOMELXSZHV-SSDOTTSWSA-N 1 1 249.236 1.821 50 0 BDAAMO CSC[C@@H](O)C[N@H+]1C[C@@H](C)OCC1(C)C ZINC000170085607 361390360 /nfs/dbraw/zinc/39/03/60/361390360.db2.gz KCUQMDACPUMLBY-ZJUUUORDSA-N 1 1 233.377 1.210 50 0 BDAAMO CC1(C)C[N@@H+](C[C@@H]2CCCCO2)CCO1 ZINC000065554668 361593390 /nfs/dbraw/zinc/59/33/90/361593390.db2.gz QUADMDSKTPRXAD-NSHDSACASA-N 1 1 213.321 1.666 50 0 BDAAMO 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ZINC000069971725 374104484 /nfs/dbraw/zinc/10/44/84/374104484.db2.gz VRTMIUZJJIBLHM-UHFFFAOYSA-N 1 1 241.379 1.914 50 0 BDAAMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccco1 ZINC000222620739 182335741 /nfs/dbraw/zinc/33/57/41/182335741.db2.gz FOXWULJUWSIXDG-QWRGUYRKSA-N 1 1 234.299 1.636 50 0 BDAAMO O=C(Nc1ccccc1)[C@H]1CSC[NH2+]1 ZINC000019424106 182377228 /nfs/dbraw/zinc/37/72/28/182377228.db2.gz UJVBLJAXADMSLP-SECBINFHSA-N 1 1 208.286 1.288 50 0 BDAAMO CCOC(=O)[C@@H]([NH3+])C1(OCC)CCCC1 ZINC000075110759 170253118 /nfs/dbraw/zinc/25/31/18/170253118.db2.gz ILSJPTXNHKTIDD-SECBINFHSA-N 1 1 215.293 1.226 50 0 biogenic BDAAMO OC1(C[N@H+]2CCc3ccccc3C2)CCOCC1 ZINC000152738233 183018761 /nfs/dbraw/zinc/01/87/61/183018761.db2.gz WEBKYRYJVNBLHM-UHFFFAOYSA-N 1 1 247.338 1.586 50 0 BDAAMO OCC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000095437985 183071137 /nfs/dbraw/zinc/07/11/37/183071137.db2.gz AZNYMFMSSAKSEK-AWEZNQCLSA-N 1 1 235.327 1.252 50 0 BDAAMO CCCCn1c2ccccc2n(CCO)c1=[NH2+] ZINC000019720434 169032511 /nfs/dbraw/zinc/03/25/11/169032511.db2.gz VPFNMWMZZWRKIL-UHFFFAOYSA-N 1 1 233.315 1.715 50 0 BDAAMO OC[C@H]1CCC[N@H+]1Cc1ccccc1F ZINC000002489814 183149635 /nfs/dbraw/zinc/14/96/35/183149635.db2.gz UHAQAHSKJYEAMW-LLVKDONJSA-N 1 1 209.264 1.782 50 0 BDAAMO O[C@H]1CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000048581143 183236244 /nfs/dbraw/zinc/23/62/44/183236244.db2.gz ILIUOECPHURSIS-JTQLQIEISA-N 1 1 232.283 1.785 50 0 BDAAMO O[C@H]1CCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000048581143 183236246 /nfs/dbraw/zinc/23/62/46/183236246.db2.gz ILIUOECPHURSIS-JTQLQIEISA-N 1 1 232.283 1.785 50 0 BDAAMO CCC[N@H+]1CCN(CC=C(C)C)[C@@H](CCO)C1 ZINC000023153374 169203353 /nfs/dbraw/zinc/20/33/53/169203353.db2.gz NJZUEKCWMPOTRE-AWEZNQCLSA-N 1 1 240.391 1.731 50 0 BDAAMO CCCN1CC[N@H+](CC=C(C)C)[C@@H](CCO)C1 ZINC000023153374 169203355 /nfs/dbraw/zinc/20/33/55/169203355.db2.gz NJZUEKCWMPOTRE-AWEZNQCLSA-N 1 1 240.391 1.731 50 0 BDAAMO CCCN1CC[N@@H+](CC=C(C)C)[C@@H](CCO)C1 ZINC000023153374 169203358 /nfs/dbraw/zinc/20/33/58/169203358.db2.gz NJZUEKCWMPOTRE-AWEZNQCLSA-N 1 1 240.391 1.731 50 0 BDAAMO c1cc(CN2CC[N@H+]3CCCC[C@H]3C2)ccn1 ZINC000225327528 183345202 /nfs/dbraw/zinc/34/52/02/183345202.db2.gz CUUIJPYNGBJYTQ-AWEZNQCLSA-N 1 1 231.343 1.752 50 0 BDAAMO CCCNC(=O)[C@@H](C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000052635502 169242722 /nfs/dbraw/zinc/24/27/22/169242722.db2.gz FEFAUEDXNZKKOQ-GRYCIOLGSA-N 1 1 226.364 1.879 50 0 BDAAMO c1ccc(CC[N@H+]2CCc3cncnc3C2)nc1 ZINC000069571117 183392616 /nfs/dbraw/zinc/39/26/16/183392616.db2.gz MZFPNTCONSPIRH-UHFFFAOYSA-N 1 1 240.310 1.472 50 0 BDAAMO c1ccc(C[N@@H+]2CCNC3(CC3)C2)cc1 ZINC000096028799 183398431 /nfs/dbraw/zinc/39/84/31/183398431.db2.gz XINDIUOJBNUZMM-UHFFFAOYSA-N 1 1 202.301 1.624 50 0 BDAAMO c1ccc(C[N@H+]2CCNC3(CC3)C2)cc1 ZINC000096028799 183398433 /nfs/dbraw/zinc/39/84/33/183398433.db2.gz XINDIUOJBNUZMM-UHFFFAOYSA-N 1 1 202.301 1.624 50 0 BDAAMO CCCO[C@H]1CCC[N@@H+](C[C@H](O)CC)C1 ZINC000042424377 169312837 /nfs/dbraw/zinc/31/28/37/169312837.db2.gz GFICAUSNQURDMG-NEPJUHHUSA-N 1 1 215.337 1.648 50 0 BDAAMO CCCS(=O)(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000019851123 169331038 /nfs/dbraw/zinc/33/10/38/169331038.db2.gz VXXCRGVHRAAIGO-NSHDSACASA-N 1 1 248.392 1.142 50 0 BDAAMO C[N@H+](Cc1ccccc1)[C@H](CN)C1CC1 ZINC000036883920 383918541 /nfs/dbraw/zinc/91/85/41/383918541.db2.gz WUZZCDOBFVDZCJ-CYBMUJFWSA-N 1 1 204.317 1.856 50 0 BDAAMO C[N@@H+](Cc1ccccc1)[C@H](CN)C1CC1 ZINC000036883920 383918545 /nfs/dbraw/zinc/91/85/45/383918545.db2.gz WUZZCDOBFVDZCJ-CYBMUJFWSA-N 1 1 204.317 1.856 50 0 BDAAMO CC(C)CCCC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000067603848 383929512 /nfs/dbraw/zinc/92/95/12/383929512.db2.gz AYMKAVYTEGIADH-LBPRGKRZSA-N 1 1 226.364 1.881 50 0 BDAAMO Cc1cccc(N2CCS(=O)(=O)[C@@H](C)C2)[nH+]1 ZINC000158579165 384020168 /nfs/dbraw/zinc/02/01/68/384020168.db2.gz HMSGJTVWQJRKRA-JTQLQIEISA-N 1 1 240.328 1.013 50 0 BDAAMO CC(=O)N1CC[C@H](Cc2[nH+]cc(C)n2C2CC2)C1 ZINC000257182268 384023169 /nfs/dbraw/zinc/02/31/69/384023169.db2.gz OVISJHDAJGAIFY-GFCCVEGCSA-N 1 1 247.342 1.937 50 0 BDAAMO [NH3+]CCc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000004235062 384050961 /nfs/dbraw/zinc/05/09/61/384050961.db2.gz PLMQLLKCHZBBGZ-UHFFFAOYSA-N 1 1 203.245 1.284 50 0 BDAAMO [NH3+]Cc1nc(-c2ccccc2Cl)no1 ZINC000004502269 384064582 /nfs/dbraw/zinc/06/45/82/384064582.db2.gz AMZQOYAZUMRSPX-UHFFFAOYSA-N 1 1 209.636 1.849 50 0 BDAAMO CNC(=O)c1ccc(Cn2c[nH+]c(C)c2C)cc1 ZINC000071904315 384145124 /nfs/dbraw/zinc/14/51/24/384145124.db2.gz OUTGMPCPMVYRIG-UHFFFAOYSA-N 1 1 243.310 1.908 50 0 BDAAMO C[N@@H+](CCN1CCOCC1)[C@@H]1C=CCCC1 ZINC000071904893 384145600 /nfs/dbraw/zinc/14/56/00/384145600.db2.gz VOHRUOHQSRRFLT-CYBMUJFWSA-N 1 1 224.348 1.359 50 0 BDAAMO C[N@@H+](CC1CC(F)(F)C1)[C@@H]1CCC[C@H]1O ZINC000336232706 384173127 /nfs/dbraw/zinc/17/31/27/384173127.db2.gz KBADEHCJLCWITF-NXEZZACHSA-N 1 1 219.275 1.877 50 0 BDAAMO COc1cc(F)cc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000336228358 384173232 /nfs/dbraw/zinc/17/32/32/384173232.db2.gz FWHWCRNCRYPGKB-LLVKDONJSA-N 1 1 225.263 1.401 50 0 BDAAMO CC[C@H]([NH2+]CC(=O)N(C)C)c1c(C)noc1C ZINC000097374100 384177870 /nfs/dbraw/zinc/17/78/70/384177870.db2.gz YSEMKCHGUQDNDD-JTQLQIEISA-N 1 1 239.319 1.420 50 0 BDAAMO Cc1nnc([C@@H]([NH3+])c2ccccc2)n1C ZINC000042013802 384202877 /nfs/dbraw/zinc/20/28/77/384202877.db2.gz XKJFQIOMQDSJNG-JTQLQIEISA-N 1 1 202.261 1.172 50 0 BDAAMO CCOC(=O)[C@@H](C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000041362847 384187714 /nfs/dbraw/zinc/18/77/14/384187714.db2.gz PFPWKIBAQQJFLR-OUAUKWLOSA-N 1 1 213.321 1.916 50 0 BDAAMO CC(=O)[C@](C)(O)C[N@H+]1CCC[C@](C)(F)C1 ZINC000336266722 384195943 /nfs/dbraw/zinc/19/59/43/384195943.db2.gz IIJAEIVUBRINEK-WDEREUQCSA-N 1 1 217.284 1.150 50 0 BDAAMO CC(C)[C@](C)([NH2+]Cc1nccs1)C(N)=O ZINC000289262823 384234220 /nfs/dbraw/zinc/23/42/20/384234220.db2.gz DGVDXOKEBTZOFK-JTQLQIEISA-N 1 1 227.333 1.133 50 0 BDAAMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1nccn1C ZINC000408514337 384265082 /nfs/dbraw/zinc/26/50/82/384265082.db2.gz IZKHNNHQXSJGIC-GRYCIOLGSA-N 1 1 237.347 1.401 50 0 BDAAMO CC(C)[N@@H+](CC(N)=O)CC1=CCCCC1 ZINC000408519561 384276443 /nfs/dbraw/zinc/27/64/43/384276443.db2.gz WGBMXVVZWGNOPH-UHFFFAOYSA-N 1 1 210.321 1.683 50 0 BDAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)C2CC2)cn1 ZINC000048824583 384283817 /nfs/dbraw/zinc/28/38/17/384283817.db2.gz QFWVGOYPAZJDIK-UHFFFAOYSA-N 1 1 242.282 1.924 50 0 BDAAMO CC(=O)N[C@@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000095971346 384419794 /nfs/dbraw/zinc/41/97/94/384419794.db2.gz BVKVURABRHVYOJ-GFCCVEGCSA-N 1 1 233.315 1.495 50 0 BDAAMO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CC(N)=O ZINC000308829254 384376390 /nfs/dbraw/zinc/37/63/90/384376390.db2.gz SMVLKJUESOMQFL-LURJTMIESA-N 1 1 224.226 1.135 50 0 BDAAMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CC(N)=O ZINC000308829254 384376391 /nfs/dbraw/zinc/37/63/91/384376391.db2.gz SMVLKJUESOMQFL-LURJTMIESA-N 1 1 224.226 1.135 50 0 BDAAMO CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1ccnn1C ZINC000097139291 384379467 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/nfs/dbraw/zinc/97/54/57/180975457.db2.gz NLZDRDPEIWAXFJ-LLVKDONJSA-N 1 1 235.237 1.923 50 0 BDAAMO C[N@H+]1CCCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC000032747816 354543687 /nfs/dbraw/zinc/54/36/87/354543687.db2.gz UJDMUDHYUSHBCY-LBPRGKRZSA-N 1 1 222.332 1.507 50 0 BDAAMO N=C(NC(N)=[NH2+])Nc1ccc(F)c(Cl)c1 ZINC000000088731 181187950 /nfs/dbraw/zinc/18/79/50/181187950.db2.gz WEVBBIBQCXPDKL-UHFFFAOYSA-N 1 1 229.646 1.309 50 0 BDAAMO CC[C@@H]1CCCC[N@H+]1CCOCCO ZINC000040229380 355797073 /nfs/dbraw/zinc/79/70/73/355797073.db2.gz YRZWJELHSBDHFS-LLVKDONJSA-N 1 1 201.310 1.260 50 0 BDAAMO COC(=O)C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000035174359 355864380 /nfs/dbraw/zinc/86/43/80/355864380.db2.gz UWQDGTPKIBAHGW-GHMZBOCLSA-N 1 1 211.305 1.672 50 0 BDAAMO NC(=O)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000046089180 181231019 /nfs/dbraw/zinc/23/10/19/181231019.db2.gz RXEBAKYWWDNJST-SECBINFHSA-N 1 1 210.302 1.370 50 0 BDAAMO NC(=O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000046089180 181231021 /nfs/dbraw/zinc/23/10/21/181231021.db2.gz RXEBAKYWWDNJST-SECBINFHSA-N 1 1 210.302 1.370 50 0 BDAAMO NC(=O)C[N@@H+]1CCCC[C@@H]1c1cccc(F)c1 ZINC000072168287 181231660 /nfs/dbraw/zinc/23/16/60/181231660.db2.gz XAJYBPWNHSQECY-GFCCVEGCSA-N 1 1 236.290 1.838 50 0 BDAAMO NC(=O)C[N@H+]1CCCC[C@@H]1c1cccc(F)c1 ZINC000072168287 181231661 /nfs/dbraw/zinc/23/16/61/181231661.db2.gz XAJYBPWNHSQECY-GFCCVEGCSA-N 1 1 236.290 1.838 50 0 BDAAMO NC(=O)C[N@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000076107704 181233472 /nfs/dbraw/zinc/23/34/72/181233472.db2.gz WJNMEYBFTFSXPO-STQMWFEESA-N 1 1 248.326 1.060 50 0 BDAAMO NC(=O)C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000096441563 181233652 /nfs/dbraw/zinc/23/36/52/181233652.db2.gz DXDPHXUORYFDCX-CYBMUJFWSA-N 1 1 248.326 1.010 50 0 BDAAMO NC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000039947513 181259242 /nfs/dbraw/zinc/25/92/42/181259242.db2.gz YSRDPYAWPHYLON-CYBMUJFWSA-N 1 1 247.342 1.709 50 0 BDAAMO NC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000004021753 181268971 /nfs/dbraw/zinc/26/89/71/181268971.db2.gz CJILWIFEBKFTJW-NWDGAFQWSA-N 1 1 222.332 1.540 50 0 BDAAMO OC[C@H]1c2ccccc2CC[N@H+]1[C@@H]1CCOC1 ZINC000095442095 538607091 /nfs/dbraw/zinc/60/70/91/538607091.db2.gz JXIGOEAJPYWIOG-OCCSQVGLSA-N 1 1 233.311 1.367 50 0 BDAAMO NC(=O)c1cc([C@@H]2CCC[N@@H+](CC3CC3)C2)n[nH]1 ZINC000072361341 181292044 /nfs/dbraw/zinc/29/20/44/181292044.db2.gz NSAVAZHTCLDBNC-SNVBAGLBSA-N 1 1 248.330 1.098 50 0 BDAAMO CC(C)c1n[nH]c([C@@H]2C[NH2+]C[C@H]2C2CC2)n1 ZINC000685944003 538886864 /nfs/dbraw/zinc/88/68/64/538886864.db2.gz USTKNOJGZHAIRM-VHSXEESVSA-N 1 1 220.320 1.641 50 0 BDAAMO C[C@@H](C(N)=O)[N@H+](C)Cc1cccc(Cl)c1 ZINC000006975758 361165498 /nfs/dbraw/zinc/16/54/98/361165498.db2.gz TZLVRVGHLBWTIF-QMMMGPOBSA-N 1 1 226.707 1.646 50 0 BDAAMO C[C@@H](C(N)=O)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000006975758 361165500 /nfs/dbraw/zinc/16/55/00/361165500.db2.gz TZLVRVGHLBWTIF-QMMMGPOBSA-N 1 1 226.707 1.646 50 0 BDAAMO CC[C@H](C)[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000334696053 365243655 /nfs/dbraw/zinc/24/36/55/365243655.db2.gz OYAXZSJBHQQUTB-IUCAKERBSA-N 1 1 207.264 1.734 50 0 BDAAMO CCc1[nH+]ccn1C[C@H](C)NCc1nonc1C ZINC000584891489 369038256 /nfs/dbraw/zinc/03/82/56/369038256.db2.gz CAAMMHJACAHGBT-VIFPVBQESA-N 1 1 249.318 1.315 50 0 BDAAMO Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000019359518 371134613 /nfs/dbraw/zinc/13/46/13/371134613.db2.gz GSDPDUAEOGGTQE-UHFFFAOYSA-N 1 1 204.317 1.742 50 0 BDAAMO N[C@@H](C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000019821258 371192718 /nfs/dbraw/zinc/19/27/18/371192718.db2.gz YQZODDBPSPWKIQ-LBPRGKRZSA-N 1 1 208.280 1.921 50 0 BDAAMO C[N@H+]1CCCC[C@@H]1Cn1ccnc1-c1c[nH]cn1 ZINC000071404190 374267920 /nfs/dbraw/zinc/26/79/20/374267920.db2.gz PGVMQLQEPWVDPO-LLVKDONJSA-N 1 1 245.330 1.758 50 0 BDAAMO O=C(Nc1cccc(F)c1)[C@@H]1CSC[NH2+]1 ZINC000019438057 182369413 /nfs/dbraw/zinc/36/94/13/182369413.db2.gz IJNGBUOMIZJNBY-VIFPVBQESA-N 1 1 226.276 1.427 50 0 BDAAMO O=C1OCC[C@@H]1[NH+]1CCc2ccccc2CC1 ZINC000071909405 182829608 /nfs/dbraw/zinc/82/96/08/182829608.db2.gz ZHDFBNXYRFUALS-ZDUSSCGKSA-N 1 1 231.295 1.403 50 0 BDAAMO O=c1cc(C[NH+]2CCCCC2)nc2sccn21 ZINC000002659151 182992816 /nfs/dbraw/zinc/99/28/16/182992816.db2.gz LIOIAZUHAQPQRB-UHFFFAOYSA-N 1 1 249.339 1.742 50 0 BDAAMO OC[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000040434837 183118280 /nfs/dbraw/zinc/11/82/80/183118280.db2.gz IISDRBUMWAGCNB-LLVKDONJSA-N 1 1 206.289 1.286 50 0 BDAAMO OC[C@@H]1CCC[N@H+]1CCOc1ccccc1 ZINC000041237711 183121361 /nfs/dbraw/zinc/12/13/61/183121361.db2.gz PGNJPRLGKRKCII-LBPRGKRZSA-N 1 1 221.300 1.522 50 0 BDAAMO OCc1cccc(C[NH2+]Cc2cc[nH]n2)c1 ZINC000163907618 183167257 /nfs/dbraw/zinc/16/72/57/183167257.db2.gz PWRDVERICYMAGO-UHFFFAOYSA-N 1 1 217.272 1.192 50 0 BDAAMO O[C@@H]1COCC[N@H+](Cc2ccccc2F)C1 ZINC000294871833 183207582 /nfs/dbraw/zinc/20/75/82/183207582.db2.gz UTTYSGYIXCUYOS-NSHDSACASA-N 1 1 225.263 1.019 50 0 BDAAMO O[C@@H]1COCC[N@@H+](Cc2ccccc2F)C1 ZINC000294871833 183207584 /nfs/dbraw/zinc/20/75/84/183207584.db2.gz UTTYSGYIXCUYOS-NSHDSACASA-N 1 1 225.263 1.019 50 0 BDAAMO O[C@]1(C(F)(F)F)CC[N@H+](Cc2cccnc2)C1 ZINC000081068166 183250055 /nfs/dbraw/zinc/25/00/55/183250055.db2.gz YVZNOLRUVOTZKQ-SNVBAGLBSA-N 1 1 246.232 1.581 50 0 BDAAMO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccnc2)C1 ZINC000081068166 183250059 /nfs/dbraw/zinc/25/00/59/183250059.db2.gz YVZNOLRUVOTZKQ-SNVBAGLBSA-N 1 1 246.232 1.581 50 0 BDAAMO O[C@]1(C(F)(F)F)CC[N@@H+](CC2CCC2)C1 ZINC000097012414 183251004 /nfs/dbraw/zinc/25/10/04/183251004.db2.gz FQCKHNRPKQYVQC-SECBINFHSA-N 1 1 223.238 1.786 50 0 BDAAMO O[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000038539573 183235716 /nfs/dbraw/zinc/23/57/16/183235716.db2.gz CPETWDSDEAALNC-JTQLQIEISA-N 1 1 227.254 1.922 50 0 BDAAMO O[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000038539573 183235718 /nfs/dbraw/zinc/23/57/18/183235718.db2.gz CPETWDSDEAALNC-JTQLQIEISA-N 1 1 227.254 1.922 50 0 BDAAMO CCCN1CCC([NH2+][C@H](C)COC)CC1 ZINC000003683481 169189139 /nfs/dbraw/zinc/18/91/39/169189139.db2.gz NSXIIDDYXDGIDB-LLVKDONJSA-N 1 1 214.353 1.485 50 0 BDAAMO CCC[N@H+]1CCCN(c2cnccn2)CC1 ZINC000084755322 169193016 /nfs/dbraw/zinc/19/30/16/169193016.db2.gz FYEOEBIOKGNPEP-UHFFFAOYSA-N 1 1 220.320 1.399 50 0 BDAAMO CCC[N@H+]1CCC[C@@H]2Cc3n[nH]cc3C[C@H]21 ZINC000004629192 169198586 /nfs/dbraw/zinc/19/85/86/169198586.db2.gz FTSUPYGMFAPCFZ-ZWNOBZJWSA-N 1 1 219.332 1.999 50 0 in-man BDAAMO CCCS(=O)(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246870534 169333451 /nfs/dbraw/zinc/33/34/51/169333451.db2.gz GDRFILGWWAACCH-GHMZBOCLSA-N 1 1 248.392 1.045 50 0 BDAAMO C[C@H](O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000158505202 383996088 /nfs/dbraw/zinc/99/60/88/383996088.db2.gz NMJVNJAIEIAYDF-JGVFFNPUSA-N 1 1 211.227 1.642 50 0 BDAAMO COC[C@@H](O)C[N@H+]1CCCC[C@@H]1C(C)C ZINC000071910304 383997880 /nfs/dbraw/zinc/99/78/80/383997880.db2.gz LTOHRHQKQDQRDC-NWDGAFQWSA-N 1 1 215.337 1.504 50 0 BDAAMO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000091689069 383937447 /nfs/dbraw/zinc/93/74/47/383937447.db2.gz FPRLPQVVPDEPBQ-VXGBXAGGSA-N 1 1 220.316 1.674 50 0 BDAAMO CC[N@@H+](CCO)Cc1cc(F)ccc1N ZINC000037900031 384038654 /nfs/dbraw/zinc/03/86/54/384038654.db2.gz DWGCZKGCOVEZHD-UHFFFAOYSA-N 1 1 212.268 1.222 50 0 BDAAMO COc1ccccc1NC(=O)C[NH+](C)C ZINC000005063419 384098390 /nfs/dbraw/zinc/09/83/90/384098390.db2.gz AWRKUJLMGALINK-UHFFFAOYSA-N 1 1 208.261 1.195 50 0 BDAAMO COC(=O)[C@H]([NH3+])Cc1cccc2[nH]ccc21 ZINC000070735449 384134864 /nfs/dbraw/zinc/13/48/64/384134864.db2.gz GISQHGVDNXKGLZ-SNVBAGLBSA-N 1 1 218.256 1.211 50 0 BDAAMO CO[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1O ZINC000335364049 384279462 /nfs/dbraw/zinc/27/94/62/384279462.db2.gz RWFRKLGDHRAQFZ-VXGBXAGGSA-N 1 1 225.263 1.017 50 0 BDAAMO COC(=O)c1ccc(N2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000077011492 384392378 /nfs/dbraw/zinc/39/23/78/384392378.db2.gz OYEUPRPCCUJZEP-LLVKDONJSA-N 1 1 248.326 1.614 50 0 BDAAMO Cn1cc(-c2nc([C@@H]3CCCCC[NH2+]3)no2)cn1 ZINC000095828999 384399681 /nfs/dbraw/zinc/39/96/81/384399681.db2.gz XEFDDALCIXDIAZ-JTQLQIEISA-N 1 1 247.302 1.675 50 0 BDAAMO C[C@]1(CN)CCC[N@@H+]1Cc1ccccc1 ZINC000095868152 384402136 /nfs/dbraw/zinc/40/21/36/384402136.db2.gz CXOCJFUGPZTFSC-CYBMUJFWSA-N 1 1 204.317 2.000 50 0 BDAAMO C[C@]1(CN)CCC[N@H+]1Cc1ccccc1 ZINC000095868152 384402143 /nfs/dbraw/zinc/40/21/43/384402143.db2.gz CXOCJFUGPZTFSC-CYBMUJFWSA-N 1 1 204.317 2.000 50 0 BDAAMO CC(C)=CC[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000084671223 384406390 /nfs/dbraw/zinc/40/63/90/384406390.db2.gz KGWXENQDNVSZEN-ZDUSSCGKSA-N 1 1 234.347 1.956 50 0 BDAAMO c1[nH]nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000095628820 384384848 /nfs/dbraw/zinc/38/48/48/384384848.db2.gz FDDKOUHZLNIBTN-UHFFFAOYSA-N 1 1 213.284 1.968 50 0 BDAAMO c1[nH]nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000095628820 384384850 /nfs/dbraw/zinc/38/48/50/384384850.db2.gz FDDKOUHZLNIBTN-UHFFFAOYSA-N 1 1 213.284 1.968 50 0 BDAAMO c1ccc(NCC[NH+]2CCOCC2)cc1 ZINC000019850255 384543889 /nfs/dbraw/zinc/54/38/89/384543889.db2.gz SAZUWZDBGLLRTE-UHFFFAOYSA-N 1 1 206.289 1.431 50 0 BDAAMO COC(=O)[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000050974637 384655497 /nfs/dbraw/zinc/65/54/97/384655497.db2.gz UBXOGDCEHWDILC-CQSZACIVSA-N 1 1 249.310 1.187 50 0 BDAAMO COC(=O)[C@]1(N)CCC[N@@H+](Cc2ccccc2)C1 ZINC000022029289 384722641 /nfs/dbraw/zinc/72/26/41/384722641.db2.gz RVOVJXXETIQTGF-AWEZNQCLSA-N 1 1 248.326 1.153 50 0 biogenic BDAAMO Cc1ccc(F)c(C[N@H+]2CC[C@H](O)C2)c1 ZINC000084933945 384768035 /nfs/dbraw/zinc/76/80/35/384768035.db2.gz WEDPBVRSZJGXJV-NSHDSACASA-N 1 1 209.264 1.701 50 0 BDAAMO c1ccc2c(c1)CC([N@@H+]1CCCNCC1)C2 ZINC000023093605 384788263 /nfs/dbraw/zinc/78/82/63/384788263.db2.gz ZUEHLSSZZFEZLM-UHFFFAOYSA-N 1 1 216.328 1.449 50 0 BDAAMO c1ccc2c(c1)CC([N@H+]1CCCNCC1)C2 ZINC000023093605 384788270 /nfs/dbraw/zinc/78/82/70/384788270.db2.gz ZUEHLSSZZFEZLM-UHFFFAOYSA-N 1 1 216.328 1.449 50 0 BDAAMO CC(C)[NH+]1CCN(C(=O)c2ccncc2)CC1 ZINC000054991778 384867325 /nfs/dbraw/zinc/86/73/25/384867325.db2.gz JYRIYNUKAMHEMH-UHFFFAOYSA-N 1 1 233.315 1.248 50 0 BDAAMO CC/C=C(/C)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000058014290 384980604 /nfs/dbraw/zinc/98/06/04/384980604.db2.gz WMHCMNNQLHDWAK-CSXHZRMWSA-N 1 1 236.359 1.943 50 0 BDAAMO CC[C@](C)(CC(=O)OC)[NH2+]Cc1nc(C)no1 ZINC000096461841 385182047 /nfs/dbraw/zinc/18/20/47/385182047.db2.gz NALONNSRZGEHOD-LLVKDONJSA-N 1 1 241.291 1.199 50 0 BDAAMO Cn1cncc1C[N@@H+]1CCc2ccccc2C1 ZINC000177225575 385200784 /nfs/dbraw/zinc/20/07/84/385200784.db2.gz LRLVDZDYIIMOAL-UHFFFAOYSA-N 1 1 227.311 1.978 50 0 BDAAMO Cn1cncc1C[N@H+]1CCc2ccccc2C1 ZINC000177225575 385200790 /nfs/dbraw/zinc/20/07/90/385200790.db2.gz LRLVDZDYIIMOAL-UHFFFAOYSA-N 1 1 227.311 1.978 50 0 BDAAMO CC(C)=CC[N@H+]1CCN(C(C)=O)CC1(C)C ZINC000096492517 385232409 /nfs/dbraw/zinc/23/24/09/385232409.db2.gz AJFQIJIMGLHRHS-UHFFFAOYSA-N 1 1 224.348 1.895 50 0 BDAAMO CC(=O)Nc1ccccc1C[N@H+](C)C[C@@H](C)O ZINC000130807073 385284555 /nfs/dbraw/zinc/28/45/55/385284555.db2.gz WPBWOAQPUBRWDO-SNVBAGLBSA-N 1 1 236.315 1.458 50 0 BDAAMO 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BDAAMO COC(=O)CC[N@@H+](C)[C@H](C)CC(C)C ZINC000045943799 490157337 /nfs/dbraw/zinc/15/73/37/490157337.db2.gz SLFYDUXHPIDSAH-SNVBAGLBSA-N 1 1 201.310 1.916 50 0 BDAAMO CCOCC[N@H+]1CCN(CC=C(C)C)C[C@H]1C ZINC000247374883 519919898 /nfs/dbraw/zinc/91/98/98/519919898.db2.gz VEYFJTFHPKDFRR-CQSZACIVSA-N 1 1 240.391 1.995 50 0 BDAAMO CCOCCN1CC[N@H+](CC=C(C)C)C[C@H]1C ZINC000247374883 519919903 /nfs/dbraw/zinc/91/99/03/519919903.db2.gz VEYFJTFHPKDFRR-CQSZACIVSA-N 1 1 240.391 1.995 50 0 BDAAMO CCOCCN1CC[N@@H+](CC=C(C)C)C[C@H]1C ZINC000247374883 519919904 /nfs/dbraw/zinc/91/99/04/519919904.db2.gz VEYFJTFHPKDFRR-CQSZACIVSA-N 1 1 240.391 1.995 50 0 BDAAMO CCNc1ccnc(N2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000248271090 520348191 /nfs/dbraw/zinc/34/81/91/520348191.db2.gz VSUUWGXKIDEHSI-NSHDSACASA-N 1 1 247.346 1.193 50 0 BDAAMO Cc1ccn(CC[N@H+](C)CCc2ccccn2)n1 ZINC000244691934 525601435 /nfs/dbraw/zinc/60/14/35/525601435.db2.gz JLODBKPUBPDMTI-UHFFFAOYSA-N 1 1 244.342 1.761 50 0 BDAAMO Cc1ccc2n[nH]cc2c1[C@@H]1NCC[C@H](C)[C@H]1[NH3+] ZINC000757215162 582561099 /nfs/dbraw/zinc/56/10/99/582561099.db2.gz VCEHOPBFEHPPBR-FZZIBODNSA-N 1 1 244.342 1.869 50 0 BDAAMO Cc1ccc2n[nH]cc2c1[C@H]1NCCC[C@H]1[NH3+] ZINC000757213065 586439280 /nfs/dbraw/zinc/43/92/80/586439280.db2.gz NPBPLGPEEMOYOP-MFKMUULPSA-N 1 1 230.315 1.623 50 0 BDAAMO Cc1ccc2n[nH]cc2c1[C@@H]1C[NH2+]C[C@H](N)C1 ZINC000757213664 586439818 /nfs/dbraw/zinc/43/98/18/586439818.db2.gz QMJLECHKIBNFFM-VHSXEESVSA-N 1 1 230.315 1.276 50 0 BDAAMO CCN(CC)CC[N@H+]1CCC[C@]1(C)CO ZINC000097135281 631298145 /nfs/dbraw/zinc/29/81/45/631298145.db2.gz UDZARAPHNOQNIZ-GFCCVEGCSA-N 1 1 214.353 1.175 50 0 BDAAMO CC[NH+](CC)CCN1CCC[C@]1(C)CO ZINC000097135281 631298150 /nfs/dbraw/zinc/29/81/50/631298150.db2.gz UDZARAPHNOQNIZ-GFCCVEGCSA-N 1 1 214.353 1.175 50 0 BDAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)/C=C/c1ccccn1 ZINC000089937767 642543285 /nfs/dbraw/zinc/54/32/85/642543285.db2.gz YLFDWYRFWVYNIG-SYTKJHMZSA-N 1 1 245.326 1.257 50 0 BDAAMO 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