smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCC[C@@H](O)C[NH2+]Cc1c(C)cccc1C ZINC000717960297 712735340 /nfs/dbraw/zinc/73/53/40/712735340.db2.gz ZVXQCSJPZVEOFA-CQSZACIVSA-N 1 0 231.339 2.167 50 30 BEEARO C#Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)cc1 ZINC000585079556 972111919 /nfs/dbraw/zinc/11/19/19/972111919.db2.gz YCGABWSJSUBJRD-SWLSCSKDSA-N 1 0 229.323 2.183 50 30 BEEARO C=CC[C@H]1CC=C[C@H](CCCC)[N@H+]1CC(N)=O ZINC001529120152 990334220 /nfs/dbraw/zinc/33/42/20/990334220.db2.gz VGTJFRJPUGCFLJ-STQMWFEESA-N 1 0 236.359 2.237 50 30 BEEARO CCC#CC[N@H+](CCO)Cc1ccc(F)cc1 ZINC001529168095 990336284 /nfs/dbraw/zinc/33/62/84/990336284.db2.gz XCOZOMCMSOBABD-UHFFFAOYSA-N 1 0 235.302 2.033 50 30 BEEARO C=CCNc1nc(N2CCCC2)[nH+]c(C)c1C ZINC001529190637 990338227 /nfs/dbraw/zinc/33/82/27/990338227.db2.gz JVZZWWWJOPYCJQ-UHFFFAOYSA-N 1 0 232.331 2.292 50 30 BEEARO Cc1cc(C#N)c(NC[C@H]2CCC[N@H+]2C)nc1C ZINC000826767265 994513492 /nfs/dbraw/zinc/51/34/92/994513492.db2.gz BFEVFLIEYVFXTM-CYBMUJFWSA-N 1 0 244.342 2.076 50 30 BEEARO C[C@@H](C(=O)c1ccccc1)[n+]1ccccc1 ZINC000001758937 342712204 /nfs/dbraw/zinc/71/22/04/342712204.db2.gz WDUPASOLSULDTJ-LBPRGKRZSA-N 1 0 212.272 2.418 50 30 BEEARO C=CCc1cc(C)ccc1OCCC[NH2+]CCN ZINC000020118060 187206115 /nfs/dbraw/zinc/20/61/15/187206115.db2.gz XDOFGRMBGUGGHF-UHFFFAOYSA-N 1 0 248.370 2.041 50 30 BEEARO C[NH+](C)CCO/N=C1\CCCc2sccc21 ZINC000004007031 343272949 /nfs/dbraw/zinc/27/29/49/343272949.db2.gz IBKXMDBAMNKZAS-ACCUITESSA-N 1 0 238.356 2.367 50 30 BEEARO C[NH+](C)[C@]1(C)C[C@@H]2[C@H](C/C1=N\O)C2(C)C ZINC000004754447 343273457 /nfs/dbraw/zinc/27/34/57/343273457.db2.gz HKAOKTVQPVELEF-YCXVGSBOSA-N 1 0 210.321 2.203 50 30 BEEARO CC[NH+](CC)CC#CCOc1ccccc1 ZINC000004819189 343273509 /nfs/dbraw/zinc/27/35/09/343273509.db2.gz QGCBSSRDOSERRU-UHFFFAOYSA-N 1 0 217.312 2.411 50 30 BEEARO N#CCCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000054318130 187272611 /nfs/dbraw/zinc/27/26/11/187272611.db2.gz KTCXJYVNMHXWBB-UHFFFAOYSA-N 1 0 249.402 2.488 50 30 BEEARO C[C@H](O)C#CC[N@@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000000526008 346977285 /nfs/dbraw/zinc/97/72/85/346977285.db2.gz SNUQBXRXMIXVHA-GZBFAFLISA-N 1 0 235.371 2.271 50 30 biogenic BEEARO C#CC[N@H+](C)CCCc1nc2ccccc2o1 ZINC000192230495 187361437 /nfs/dbraw/zinc/36/14/37/187361437.db2.gz VTORJKAZTAMONR-UHFFFAOYSA-N 1 0 228.295 2.325 50 30 BEEARO C=C(C)[C@@](C)(C#CC[NH+](CC)CC)OC(C)=O ZINC000004535443 187363660 /nfs/dbraw/zinc/36/36/60/187363660.db2.gz ZVUXJZWAZWQKCN-CQSZACIVSA-N 1 0 237.343 2.230 50 30 BEEARO Cc1ccc[n+](CC(=O)c2ccccc2)c1C ZINC000003130510 178990716 /nfs/dbraw/zinc/99/07/16/178990716.db2.gz GTBQYFPKWZXAQV-UHFFFAOYSA-N 1 0 226.299 2.474 50 30 BEEARO Cc1cccc[n+]1CC(=O)c1ccccc1 ZINC000001763559 179233810 /nfs/dbraw/zinc/23/38/10/179233810.db2.gz ZPHBROYGBIQXLA-UHFFFAOYSA-N 1 0 212.272 2.165 50 30 BEEARO CCNC(NCc1ccnc(C2CC2)c1)=[NH+]CC ZINC000195557943 347645714 /nfs/dbraw/zinc/64/57/14/347645714.db2.gz RWEBOPGJIPTCKP-UHFFFAOYSA-N 1 0 246.358 2.034 50 30 BEEARO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCCC#N ZINC000072253560 180348528 /nfs/dbraw/zinc/34/85/28/180348528.db2.gz JHHHYCXKMYNEDE-CYBMUJFWSA-N 1 0 246.358 2.478 50 30 BEEARO C[NH+](C)CC#Cc1ccc(-c2cc[nH]n2)s1 ZINC000020443446 187545185 /nfs/dbraw/zinc/54/51/85/187545185.db2.gz RKDJGESMVHUOPL-UHFFFAOYSA-N 1 0 231.324 2.051 50 30 BEEARO CNC(=[NH2+])N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000073775150 187616016 /nfs/dbraw/zinc/61/60/16/187616016.db2.gz FOHBFVPGGNBYMX-UHFFFAOYSA-N 1 0 245.248 2.082 50 30 BEEARO Cc1ccc(C(=O)C[n+]2cccc(C)c2)cc1 ZINC000001815012 363145200 /nfs/dbraw/zinc/14/52/00/363145200.db2.gz NZZTWMGIZSNAAZ-UHFFFAOYSA-N 1 0 226.299 2.474 50 30 BEEARO C=C(C)C[N@@H+](CC)Cc1ccc(C(N)=O)cc1 ZINC000053778629 187706944 /nfs/dbraw/zinc/70/69/44/187706944.db2.gz FXYICMKTZWRYQR-UHFFFAOYSA-N 1 0 232.327 2.184 50 30 BEEARO C=CC[N@H+]1CCC[C@H]1Cn1nc(C)cc1C ZINC000069919351 166356917 /nfs/dbraw/zinc/35/69/17/166356917.db2.gz QSWPROJCRGMVOJ-ZDUSSCGKSA-N 1 0 219.332 2.150 50 30 BEEARO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000089761626 187973447 /nfs/dbraw/zinc/97/34/47/187973447.db2.gz FZRRTWUADJAAEY-CQSZACIVSA-N 1 0 244.338 2.294 50 30 BEEARO C=C(C)C[N@@H+](C)[C@@H](CO)c1ccc(OC)cc1 ZINC000071904385 188047355 /nfs/dbraw/zinc/04/73/55/188047355.db2.gz SDARROYBZGPWSU-AWEZNQCLSA-N 1 0 235.327 2.237 50 30 BEEARO C#CC[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000066900063 188051272 /nfs/dbraw/zinc/05/12/72/188051272.db2.gz UFTFEFIMPTVQIH-ZDUSSCGKSA-N 1 0 243.306 2.228 50 30 BEEARO C#CC[N@@H+](C[C@@H](O)CC(C)C)C(C)(C)C ZINC000078496075 188258587 /nfs/dbraw/zinc/25/85/87/188258587.db2.gz CLNWJNHNHJMWMV-LBPRGKRZSA-N 1 0 211.349 2.127 50 30 BEEARO COc1ccc(C(=O)C[n+]2ccc(C)cc2)cc1 ZINC000001593416 188273822 /nfs/dbraw/zinc/27/38/22/188273822.db2.gz QHQKXHKZONRKIW-UHFFFAOYSA-N 1 0 242.298 2.174 50 30 BEEARO C=CCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000225544619 188358190 /nfs/dbraw/zinc/35/81/90/188358190.db2.gz VUZPQYIYGIQUTN-UHFFFAOYSA-N 1 0 203.289 2.216 50 30 BEEARO CC(C)(C)[C@@](C)(O)C#CC[NH+]1CCCCC1 ZINC000000296018 188407251 /nfs/dbraw/zinc/40/72/51/188407251.db2.gz NDHPXRNUMRFRRQ-AWEZNQCLSA-N 1 0 223.360 2.273 50 30 BEEARO Fc1ccccc1C[C@H]1[NH+]2CCC(CC2)[C@]12CO2 ZINC000001406659 181014384 /nfs/dbraw/zinc/01/43/84/181014384.db2.gz AYSSNEXAHXRWHG-HUUCEWRRSA-N 1 0 247.313 2.231 50 30 BEEARO N#CC1CC[NH+](Cc2ccccc2)CC1 ZINC000004769807 181032928 /nfs/dbraw/zinc/03/29/28/181032928.db2.gz CKJUFUGVCGDYHH-UHFFFAOYSA-N 1 0 200.285 2.422 50 30 BEEARO N#CCCC[N@@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000069952080 181036113 /nfs/dbraw/zinc/03/61/13/181036113.db2.gz YUYBKQCXKFQKMD-CYBMUJFWSA-N 1 0 232.331 2.041 50 30 BEEARO NC(=[NH2+])N=NC1CCC(c2ccccc2)CC1 ZINC000007026811 181191412 /nfs/dbraw/zinc/19/14/12/181191412.db2.gz ZTLVSWUQYPDLCJ-UHFFFAOYSA-N 1 0 230.315 2.183 50 30 BEEARO CCC[C@H](C#CC[NH+]1CCCCC1)OC(C)=O ZINC000000051743 191942731 /nfs/dbraw/zinc/94/27/31/191942731.db2.gz NUFWBIMQOSXYKM-CQSZACIVSA-N 1 0 237.343 2.208 50 30 BEEARO C[NH+]=C(NC1CCCC1)NC1CCCC1 ZINC000083869880 538525750 /nfs/dbraw/zinc/52/57/50/538525750.db2.gz LBRKZMQPGXMDCD-UHFFFAOYSA-N 1 0 209.337 2.037 50 30 BEEARO C=C(Cl)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000098018528 538717187 /nfs/dbraw/zinc/71/71/87/538717187.db2.gz OFHVCSRHKIZOJZ-WDEREUQCSA-N 1 0 216.756 2.153 50 30 BEEARO CN(C)c1ccc(C(=N[N+]#N)NO)cc1 ZINC000685939446 538886395 /nfs/dbraw/zinc/88/63/95/538886395.db2.gz RXOWHFYFKVIIQG-XFXZXTDPSA-N 1 0 205.221 2.199 50 30 BEEARO N#CCCN1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000069655559 219828422 /nfs/dbraw/zinc/82/84/22/219828422.db2.gz QYAXONHXFDJQNB-AWEZNQCLSA-N 1 0 235.375 2.240 50 30 BEEARO CC(C)(C)[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000037395897 363969827 /nfs/dbraw/zinc/96/98/27/363969827.db2.gz VFNLJNMIDPZKRN-UHFFFAOYSA-N 1 0 245.326 2.275 50 30 BEEARO O=C(C[n+]1cccc2c1CCC2)c1ccccc1 ZINC000003136428 182032957 /nfs/dbraw/zinc/03/29/57/182032957.db2.gz NRMJSWXHZQDOMC-UHFFFAOYSA-N 1 0 238.310 2.346 50 30 BEEARO CCC[N@@H+]1CC[C@H](CNc2ncccc2C#N)C1 ZINC000097159666 169209176 /nfs/dbraw/zinc/20/91/76/169209176.db2.gz DRQPVNDWRAVHEH-GFCCVEGCSA-N 1 0 244.342 2.097 50 30 BEEARO O=C[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000038478290 384082815 /nfs/dbraw/zinc/08/28/15/384082815.db2.gz ZXLSORCCVKGQBQ-CQSZACIVSA-N 1 0 217.312 2.488 50 30 BEEARO C=C(Cl)C[N@@H+](CCC(=O)OC)C(C)C ZINC000071904926 384144619 /nfs/dbraw/zinc/14/46/19/384144619.db2.gz LSDNZMXTFOBRFE-UHFFFAOYSA-N 1 0 219.712 2.012 50 30 BEEARO C#CC[N@H+]1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000032928720 384478455 /nfs/dbraw/zinc/47/84/55/384478455.db2.gz YAUJNIPGWIZCCS-ZDUSSCGKSA-N 1 0 245.322 2.474 50 30 BEEARO CCNC(=[NH2+])N1CCSC2(CCCCC2)C1 ZINC000097021791 384501664 /nfs/dbraw/zinc/50/16/64/384501664.db2.gz ILDFJAZMKRGDCN-UHFFFAOYSA-N 1 0 241.404 2.073 50 30 BEEARO C=C(C)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000097200443 384703630 /nfs/dbraw/zinc/70/36/30/384703630.db2.gz WHFFADPYPQZHTJ-UHFFFAOYSA-N 1 0 205.305 2.165 50 30 BEEARO CC[NH+](CC)CC#C[C@](C)(O)C(C)(C)C ZINC000002485721 385282887 /nfs/dbraw/zinc/28/28/87/385282887.db2.gz RKWMQSLXMOLXSP-ZDUSSCGKSA-N 1 0 211.349 2.129 50 30 BEEARO C[N@H+](CCc1ccncc1)Cc1ccc(C#N)o1 ZINC000183759920 385892517 /nfs/dbraw/zinc/89/25/17/385892517.db2.gz ZMDOEFPTLMGTRH-UHFFFAOYSA-N 1 0 241.294 2.221 50 30 BEEARO N#CCCC[NH2+][C@@H](c1nccs1)C1CC1 ZINC000185426734 386434061 /nfs/dbraw/zinc/43/40/61/386434061.db2.gz HVDLRDFRZZAHQF-SNVBAGLBSA-N 1 0 221.329 2.488 50 30 BEEARO CC#CC[C@@H](CO)[NH2+]Cc1ccc(Cl)s1 ZINC000585116595 386672818 /nfs/dbraw/zinc/67/28/18/386672818.db2.gz BYFMWDMOLDYOPI-VIFPVBQESA-N 1 0 243.759 2.265 50 30 BEEARO C[C@@H](CC#N)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075502631 387495546 /nfs/dbraw/zinc/49/55/46/387495546.db2.gz OZDBRHIAFNOZLX-UONOGXRCSA-N 1 0 235.375 2.096 50 30 BEEARO C[C@](CO)([NH2+]CCCC#N)C1CCCCC1 ZINC000076020073 388369066 /nfs/dbraw/zinc/36/90/66/388369066.db2.gz IIOHTVNSIAAYMV-CYBMUJFWSA-N 1 0 224.348 2.211 50 30 BEEARO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc(C#N)nc2)C1 ZINC000195535384 388478152 /nfs/dbraw/zinc/47/81/52/388478152.db2.gz RBVWLEWSMHSXGA-BXUZGUMPSA-N 1 0 244.342 2.238 50 30 BEEARO C[N@H+](CCCC#N)C[C@@H]1COc2ccccc2O1 ZINC000096905398 388827375 /nfs/dbraw/zinc/82/73/75/388827375.db2.gz IWNDWFDASAWHPX-GFCCVEGCSA-N 1 0 246.310 2.062 50 30 BEEARO C#CC[N@@H+](C)[C@H](C)c1ccccc1OC ZINC000051879582 166160670 /nfs/dbraw/zinc/16/06/70/166160670.db2.gz FLMGALROPFEEKB-LLVKDONJSA-N 1 0 203.285 2.321 50 30 BEEARO C#CC[N@H+](CC(=O)C(C)(C)C)C(C)(C)C ZINC000054954725 166163395 /nfs/dbraw/zinc/16/33/95/166163395.db2.gz UKVFLLQJQNHSQW-UHFFFAOYSA-N 1 0 209.333 2.335 50 30 BEEARO C=CC[NH2+]C/C=C/COc1ccccc1OC ZINC000016622547 166397644 /nfs/dbraw/zinc/39/76/44/166397644.db2.gz SDNZTLKSWKHMSY-VOTSOKGWSA-N 1 0 233.311 2.406 50 30 BEEARO C=CCOc1ccccc1OCC[NH2+]CC ZINC000006702401 166425575 /nfs/dbraw/zinc/42/55/75/166425575.db2.gz BTFBPGALYLIUKL-UHFFFAOYSA-N 1 0 221.300 2.240 50 30 BEEARO CC1CCC([NH+]2CCN(CCCC#N)CC2)CC1 ZINC000096406633 168160212 /nfs/dbraw/zinc/16/02/12/168160212.db2.gz SSCTUBSHZOCBOP-UHFFFAOYSA-N 1 0 249.402 2.486 50 30 BEEARO CCOCCCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000104153419 170363927 /nfs/dbraw/zinc/36/39/27/170363927.db2.gz JZJJLLYSNQXHSI-UHFFFAOYSA-N 1 0 249.358 2.457 50 30 BEEARO CCc1sc(NC(N)=[NH2+])nc1-c1ccccc1 ZINC000048433680 172129298 /nfs/dbraw/zinc/12/92/98/172129298.db2.gz PRKXWZRKTMLFMB-UHFFFAOYSA-N 1 0 246.339 2.277 50 30 BEEARO C[NH+](C)/C=C\c1c(C#N)c(=O)oc2ccccc12 ZINC000033295380 172352712 /nfs/dbraw/zinc/35/27/12/172352712.db2.gz SBSNFPPMACYWTG-FPLPWBNLSA-N 1 0 240.262 2.197 50 30 BEEARO C[NH+](C)[C@@H](CNc1ccc(F)cc1C#N)C1CC1 ZINC000091482011 172520924 /nfs/dbraw/zinc/52/09/24/172520924.db2.gz LYNIXUWMFVHHTK-AWEZNQCLSA-N 1 0 247.317 2.449 50 30 BEEARO CN(C[C@H]1CC[N@H+](C)C1)c1cccc(F)c1C#N ZINC000069699390 173143510 /nfs/dbraw/zinc/14/35/10/173143510.db2.gz SQNAOIQELMGJQR-NSHDSACASA-N 1 0 247.317 2.085 50 30 BEEARO CSc1cc(-c2cccc[n+]2C)cnc1C#N ZINC000000501048 175571538 /nfs/dbraw/zinc/57/15/38/175571538.db2.gz HTPLOCJBKDVHOM-UHFFFAOYSA-N 1 0 242.327 2.167 50 30 BEEARO C[C@@H]([NH2+]CCCCC#N)[C@@H](C)n1cccn1 ZINC000069972423 175873714 /nfs/dbraw/zinc/87/37/14/175873714.db2.gz DLYGMRPNBXQQPH-VXGBXAGGSA-N 1 0 220.320 2.116 50 30 BEEARO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CCCC#N)C1 ZINC000080901822 177063849 /nfs/dbraw/zinc/06/38/49/177063849.db2.gz LNHINPKYCKLPQK-GXTWGEPZSA-N 1 0 238.375 2.457 50 30 BEEARO CO[C@@H](C)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000164073909 487508382 /nfs/dbraw/zinc/50/83/82/487508382.db2.gz FTWXTJGGQNSKAI-QWRGUYRKSA-N 1 0 218.300 2.244 50 30 BEEARO CCC#CC[N@H+](C)CCCc1c(C)n[nH]c1C ZINC000670462982 487516135 /nfs/dbraw/zinc/51/61/35/487516135.db2.gz FHSCEYWPVOBPCZ-UHFFFAOYSA-N 1 0 233.359 2.304 50 30 BEEARO C=C(Cl)CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000096447066 518649540 /nfs/dbraw/zinc/64/95/40/518649540.db2.gz UHADGZYLTXVIGG-CYBMUJFWSA-N 1 0 242.794 2.403 50 30 BEEARO Cc1ccc(C[NH+]=C(N(C)C)N(C)C)s1 ZINC000252497041 524485674 /nfs/dbraw/zinc/48/56/74/524485674.db2.gz PXVMBWPJZZCHCD-UHFFFAOYSA-N 1 0 225.361 2.036 50 30 BEEARO COc1cnccc1[C@@H](C)[NH2+]CCCC#N ZINC000187107351 524933865 /nfs/dbraw/zinc/93/38/65/524933865.db2.gz UCGQZFZBFSOXNT-SNVBAGLBSA-N 1 0 219.288 2.045 50 30 BEEARO CN(C)/C=C(F)/C=C/C(=O)/C=C/C=C/[NH+](C)C ZINC000055484569 640474649 /nfs/dbraw/zinc/47/46/49/640474649.db2.gz PDQHSVMURQVZPM-QAHSUFIWSA-N 1 0 238.306 2.116 50 30 BEEARO CC[NH+](CC)CC#C[C@@](C)(OC(C)=O)C(C)C ZINC000002497878 642409243 /nfs/dbraw/zinc/40/92/43/642409243.db2.gz ZTGMHGJKNMMXKN-CQSZACIVSA-N 1 0 239.359 2.309 50 30 BEEARO CN(C)C=[NH+]c1ccc(C(=O)/C=C\N(C)C)cc1 ZINC000254752953 642739499 /nfs/dbraw/zinc/73/94/99/642739499.db2.gz SARUUKFAZZNXLN-YJHZVRIXSA-N 1 0 245.326 2.166 50 30 BEEARO CCNC(=[NH2+])N(C)Cc1ccc(CC)cc1 ZINC000073745323 644084279 /nfs/dbraw/zinc/08/42/79/644084279.db2.gz HISKBCLJAUYPPX-UHFFFAOYSA-N 1 0 219.332 2.015 50 30 BEEARO C=CCC(C)(C)C[N@H+](C)Cc1ncc[nH]1 ZINC000067759052 711797146 /nfs/dbraw/zinc/79/71/46/711797146.db2.gz LXKQBECHBZFQAF-UHFFFAOYSA-N 1 0 207.321 2.444 50 30 BEEARO C#Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCOC2)c1 ZINC000585086729 972123630 /nfs/dbraw/zinc/12/36/30/972123630.db2.gz YXTMJAXTMGNNMU-IUODEOHRSA-N 1 0 229.323 2.183 50 30 BEEARO CC(C)[N@@H+]1CCC[C@H]1CNc1cc(C#N)ccn1 ZINC000826796096 968676473 /nfs/dbraw/zinc/67/64/73/968676473.db2.gz IGOYBRUJDVXEEW-ZDUSSCGKSA-N 1 0 244.342 2.238 50 30 BEEARO C=CC[C@H]1Nc2ccccc2[C@@H]1CC[NH3+] ZINC000005725866 983856940 /nfs/dbraw/zinc/85/69/40/983856940.db2.gz ZYEPAWDPHHIWDP-NWDGAFQWSA-N 1 0 202.301 2.489 50 30 BEEARO CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)COC ZINC000042252119 361977971 /nfs/dbraw/zinc/97/79/71/361977971.db2.gz HFNPPJLQDUNYKP-GFCCVEGCSA-N 1 0 232.327 2.415 50 30 BEEARO CCN(CC)/C(=[NH+]/C)c1ccc([N+](=O)[O-])cc1 ZINC000003161203 346869389 /nfs/dbraw/zinc/86/93/89/346869389.db2.gz JAXOEXDMTBEAAV-OUKQBFOZSA-N 1 0 235.287 2.313 50 30 BEEARO C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000061991201 398345248 /nfs/dbraw/zinc/34/52/48/398345248.db2.gz KYMRYIRSWDUKBO-CYBMUJFWSA-N 1 0 200.285 2.242 50 30 biogenic BEEARO C=CCNC(=[NH2+])Nc1ccc(OC)c(Cl)c1 ZINC000072272393 343127274 /nfs/dbraw/zinc/12/72/74/343127274.db2.gz PBHJZJUTSZKLJD-UHFFFAOYSA-N 1 0 239.706 2.261 50 30 BEEARO C=CC[C@H](C(=O)OC)[N+]1(CC=C)CCCCC1 ZINC000002290391 187245490 /nfs/dbraw/zinc/24/54/90/187245490.db2.gz IWIMWDGPPHNUHZ-CYBMUJFWSA-N 1 0 238.351 2.291 50 30 BEEARO CC(C)C(O)(C#CC[NH+]1CCCC1)C(C)C ZINC000004807757 344268315 /nfs/dbraw/zinc/26/83/15/344268315.db2.gz GVMWHINZEJCFQM-UHFFFAOYSA-N 1 0 223.360 2.129 50 30 BEEARO C=CCCCCC[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000235589946 344948562 /nfs/dbraw/zinc/94/85/62/344948562.db2.gz CQTIZVYLLGRCLH-QWHCGFSZSA-N 1 0 211.349 2.436 50 30 BEEARO C=CCc1ccccc1OCC[NH2+]CC ZINC000006702390 187303365 /nfs/dbraw/zinc/30/33/65/187303365.db2.gz LOZXTEMVNUYBCN-UHFFFAOYSA-N 1 0 205.301 2.403 50 30 BEEARO C=C(C)CNC(=[NH2+])Nc1ccccc1COC ZINC000162453723 345717534 /nfs/dbraw/zinc/71/75/34/345717534.db2.gz VSKKJACKHLSBFA-UHFFFAOYSA-N 1 0 233.315 2.136 50 30 BEEARO C=C(C)[C@](C)(C#CC[NH+](CC)CC)OC(C)=O ZINC000004535442 187363936 /nfs/dbraw/zinc/36/39/36/187363936.db2.gz ZVUXJZWAZWQKCN-AWEZNQCLSA-N 1 0 237.343 2.230 50 30 BEEARO C=CC[N+](C)(C)CC#Cc1ccccc1 ZINC000001306308 187364875 /nfs/dbraw/zinc/36/48/75/187364875.db2.gz ZESAOAIKQFAOEO-UHFFFAOYSA-N 1 0 200.305 2.301 50 30 BEEARO C=CCCC[N@@H+](C)C1CCC(CO)CC1 ZINC000089923571 166233233 /nfs/dbraw/zinc/23/32/33/166233233.db2.gz IHHHSMNQGQKSKR-UHFFFAOYSA-N 1 0 211.349 2.436 50 30 BEEARO CC(C)NC(=[NH2+])NCC1(C)Cc2ccccc2C1 ZINC000093887458 191042552 /nfs/dbraw/zinc/04/25/52/191042552.db2.gz VAZMYDUSONDOMA-UHFFFAOYSA-N 1 0 245.370 2.104 50 30 BEEARO CC(=O)C[n+]1cccc2cc(Cl)ccc21 ZINC000036382720 187595901 /nfs/dbraw/zinc/59/59/01/187595901.db2.gz IULMPEUPDGGDEP-UHFFFAOYSA-N 1 0 220.679 2.370 50 30 BEEARO C=CCN1CC[NH+](Cc2cccs2)CC1 ZINC000060942550 166355907 /nfs/dbraw/zinc/35/59/07/166355907.db2.gz SUDAFDXBILWUDX-UHFFFAOYSA-N 1 0 222.357 2.052 50 30 BEEARO C=CCc1ccccc1OC[C@H]1CC[NH2+]C1 ZINC000042772619 188397227 /nfs/dbraw/zinc/39/72/27/188397227.db2.gz PTQHZQYGYJINTR-LBPRGKRZSA-N 1 0 217.312 2.403 50 30 BEEARO N#CCCC[N@@H+]1CCCC[C@H]1Cn1cccn1 ZINC000069952079 181035713 /nfs/dbraw/zinc/03/57/13/181035713.db2.gz YUYBKQCXKFQKMD-ZDUSSCGKSA-N 1 0 232.331 2.041 50 30 BEEARO N#CCCC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000097101736 181036542 /nfs/dbraw/zinc/03/65/42/181036542.db2.gz OQKHHWSDFZVYOK-CHWSQXEVSA-N 1 0 232.331 2.260 50 30 BEEARO N#CC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000039214377 181046311 /nfs/dbraw/zinc/04/63/11/181046311.db2.gz HYBXAXKMVJEWHM-ZDUSSCGKSA-N 1 0 200.285 2.422 50 30 BEEARO CN(C)C(=[NH2+])NCC(C)(C)C1=CCCCC1 ZINC000252484599 363371032 /nfs/dbraw/zinc/37/10/32/363371032.db2.gz GACSFTGZGGOXQF-UHFFFAOYSA-N 1 0 223.364 2.389 50 30 BEEARO C=CC[NH2+]CCOc1ccc(OCC)cc1 ZINC000003461833 166399043 /nfs/dbraw/zinc/39/90/43/166399043.db2.gz MTFPABADWWPYSR-UHFFFAOYSA-N 1 0 221.300 2.240 50 30 BEEARO [NH2+]=C(NC[C@H]1CCCc2ccccc21)NC1CC1 ZINC000058185373 181179484 /nfs/dbraw/zinc/17/94/84/181179484.db2.gz VUTLQSLIUXUJIO-GFCCVEGCSA-N 1 0 243.354 2.173 50 30 BEEARO C#CCSc1ccccc1C1=[NH+]CCCN1 ZINC000004322824 355354013 /nfs/dbraw/zinc/35/40/13/355354013.db2.gz INAIBZSAAISUFO-UHFFFAOYSA-N 1 0 230.336 2.152 50 30 BEEARO CNC(=[NH2+])N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000095959594 538611648 /nfs/dbraw/zinc/61/16/48/538611648.db2.gz VNGJQDAEJQVRFM-UHFFFAOYSA-N 1 0 246.141 2.370 50 30 BEEARO C#C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccccc1 ZINC000383303528 367612417 /nfs/dbraw/zinc/61/24/17/367612417.db2.gz MIWVTMBDOGMGSV-CFVMTHIKSA-N 1 0 229.323 2.376 50 30 BEEARO CC[NH+](CC)CC/N=C/c1ccccc1 ZINC000114362022 370555275 /nfs/dbraw/zinc/55/52/75/370555275.db2.gz KNXHVZBUZZDYDF-WYMLVPIESA-N 1 0 204.317 2.447 50 30 BEEARO O=C(C[n+]1ccccc1)c1c(F)cccc1F ZINC000004322715 182033384 /nfs/dbraw/zinc/03/33/84/182033384.db2.gz NDPQBJOMEGCAEV-UHFFFAOYSA-N 1 0 234.225 2.135 50 30 BEEARO C[NH+](C)C1(CNc2cccc(C#N)n2)CCCC1 ZINC000096731321 383908575 /nfs/dbraw/zinc/90/85/75/383908575.db2.gz DDBJDLQMTOJTCV-UHFFFAOYSA-N 1 0 244.342 2.240 50 30 BEEARO C#CCn1cc(C[N@H+](C)C[C@H]2CC=CCC2)cn1 ZINC000092039191 384145945 /nfs/dbraw/zinc/14/59/45/384145945.db2.gz NVUZTHFDIWFRQU-AWEZNQCLSA-N 1 0 243.354 2.304 50 30 BEEARO C=C(C)C[NH2+]C1(C(=O)NCCC)CCCCC1 ZINC000084756418 384765659 /nfs/dbraw/zinc/76/56/59/384765659.db2.gz OANYLFOBBYLSOD-UHFFFAOYSA-N 1 0 238.375 2.381 50 30 BEEARO CNC(=[NH2+])NCc1ccc(-c2ccccc2F)o1 ZINC000058326641 384995306 /nfs/dbraw/zinc/99/53/06/384995306.db2.gz TWJSJYFGJVXFPC-UHFFFAOYSA-N 1 0 247.273 2.120 50 30 BEEARO C=C(C)C[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000096492476 385231046 /nfs/dbraw/zinc/23/10/46/385231046.db2.gz NYPJXZSTHXZQPV-GFCCVEGCSA-N 1 0 242.326 2.494 50 30 BEEARO [NH2+]=C(NCc1ccco1)NC1CCCCC1 ZINC000052046639 385619859 /nfs/dbraw/zinc/61/98/59/385619859.db2.gz KTMYKFJPJFDHLR-UHFFFAOYSA-N 1 0 221.304 2.017 50 30 BEEARO CCN(CC)C(=[NH2+])NCCOc1cccc(C)c1 ZINC000075127869 386960882 /nfs/dbraw/zinc/96/08/82/386960882.db2.gz GOFPRGLCQVATLU-UHFFFAOYSA-N 1 0 249.358 2.030 50 30 BEEARO C=C(C)C[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000089914046 387188276 /nfs/dbraw/zinc/18/82/76/387188276.db2.gz DNHZSLPMBOKVIP-AWEZNQCLSA-N 1 0 244.338 2.126 50 30 BEEARO C=CCOC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000009970803 387839862 /nfs/dbraw/zinc/83/98/62/387839862.db2.gz BXKRJQGZBYTQRP-LBPRGKRZSA-N 1 0 243.391 2.354 50 30 BEEARO C=CCNC(=[NH2+])N[C@@H]1C[C@H]1C1CCCCC1 ZINC000170642333 388092729 /nfs/dbraw/zinc/09/27/29/388092729.db2.gz USRNBHCBLDEAOU-NWDGAFQWSA-N 1 0 221.348 2.046 50 30 BEEARO CCN(CC[NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC000071854219 388120959 /nfs/dbraw/zinc/12/09/59/388120959.db2.gz JJEHSPAHGHFCCD-UHFFFAOYSA-N 1 0 243.354 2.132 50 30 BEEARO C[C@H](O)C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000065288563 388255509 /nfs/dbraw/zinc/25/55/09/388255509.db2.gz JODVMTOGBDEGON-LBPRGKRZSA-N 1 0 244.338 2.151 50 30 BEEARO CCCCN(C)C(NC1CCC1)=[NH+]CC ZINC000195537092 388478433 /nfs/dbraw/zinc/47/84/33/388478433.db2.gz KPVSJXGPZHOCEQ-UHFFFAOYSA-N 1 0 211.353 2.236 50 30 BEEARO COC[C@@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000381734810 388436302 /nfs/dbraw/zinc/43/63/02/388436302.db2.gz OCWMIRHEJKDWJR-SECBINFHSA-N 1 0 238.718 2.336 50 30 BEEARO C=C(C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000039987660 132223603 /nfs/dbraw/zinc/22/36/03/132223603.db2.gz ISSRVLXLDPLNGC-UHFFFAOYSA-N 1 0 216.328 2.385 50 30 BEEARO CC[C@@H](C)NC(NCCCCSC)=[NH+]C ZINC000088987694 397960351 /nfs/dbraw/zinc/96/03/51/397960351.db2.gz OQBFCCYJOZSOPI-SNVBAGLBSA-N 1 0 231.409 2.093 50 30 BEEARO C#CCOc1ccccc1C[N@H+](C)CCCC#N ZINC000069976967 166200526 /nfs/dbraw/zinc/20/05/26/166200526.db2.gz YYWIEIUXSLCUQU-UHFFFAOYSA-N 1 0 242.322 2.434 50 30 BEEARO C=CCC[NH2+][C@H](CO)c1cc(F)c(F)c(F)c1 ZINC000096500910 166267529 /nfs/dbraw/zinc/26/75/29/166267529.db2.gz QCGDIMBQOZIWCS-LLVKDONJSA-N 1 0 245.244 2.303 50 30 BEEARO C=CCC[C@@H](C[NH+]1CCCC1)Oc1ncccn1 ZINC000067868021 166295907 /nfs/dbraw/zinc/29/59/07/166295907.db2.gz PHUDGXKHXJWDMS-ZDUSSCGKSA-N 1 0 247.342 2.286 50 30 BEEARO C=CCC[C@H](C[NH+]1CCCC1)Oc1ncccn1 ZINC000067868023 166301711 /nfs/dbraw/zinc/30/17/11/166301711.db2.gz PHUDGXKHXJWDMS-CYBMUJFWSA-N 1 0 247.342 2.286 50 30 BEEARO C=CCC[C@H](C)[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000097375035 166302328 /nfs/dbraw/zinc/30/23/28/166302328.db2.gz BRRIMTBJBRJNGL-AVGNSLFASA-N 1 0 211.349 2.482 50 30 BEEARO C=CCC[C@](C)(C#CC[NH+]1CCCC1)OC(C)=O ZINC000005383309 166306062 /nfs/dbraw/zinc/30/60/62/166306062.db2.gz VYBBLKOOGMOBMF-OAHLLOKOSA-N 1 0 249.354 2.374 50 30 BEEARO C=CCN(CC=C)c1ccccc1C[NH3+] ZINC000042783818 166339151 /nfs/dbraw/zinc/33/91/51/166339151.db2.gz KJKXOWKNEPOJLN-UHFFFAOYSA-N 1 0 202.301 2.324 50 30 BEEARO C=CCN1CCN(c2nc(C)cs2)[C@@H](C)C1 ZINC000069847955 166354879 /nfs/dbraw/zinc/35/48/79/166354879.db2.gz BLVQZIMYOGHBBK-NSHDSACASA-N 1 0 237.372 2.148 50 30 BEEARO C=CC[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000075132386 166355802 /nfs/dbraw/zinc/35/58/02/166355802.db2.gz LAFKBBVBFYUMDX-GFCCVEGCSA-N 1 0 219.332 2.360 50 30 BEEARO C=CC[NH2+]CCOc1ccc(C)cc1[N+](=O)[O-] ZINC000003003686 166398299 /nfs/dbraw/zinc/39/82/99/166398299.db2.gz CLWAOHDBVRQUDO-UHFFFAOYSA-N 1 0 236.271 2.058 50 30 BEEARO C=CC[NH2+]CC[C@H]1CCC(=O)N1CCC(C)C ZINC000299780855 166399302 /nfs/dbraw/zinc/39/93/02/166399302.db2.gz DOFQVGQESJDXCO-CYBMUJFWSA-N 1 0 238.375 2.189 50 30 BEEARO C=CC[NH2+]CC#CCOc1c(C)cccc1C ZINC000016623772 166399727 /nfs/dbraw/zinc/39/97/27/166399727.db2.gz RLFLQXXDEZTRFJ-UHFFFAOYSA-N 1 0 229.323 2.461 50 30 BEEARO C=CC[NH2+]CCOc1cc(C)cc(C)c1 ZINC000004568356 166399753 /nfs/dbraw/zinc/39/97/53/166399753.db2.gz AFYMEFLWQKNNPG-UHFFFAOYSA-N 1 0 205.301 2.458 50 30 BEEARO CCNC(N[C@@H]1C[C@H]1c1ccccc1)=[NH+]CC ZINC000058184960 167862253 /nfs/dbraw/zinc/86/22/53/167862253.db2.gz LSJSLHYNLJYIMM-QWHCGFSZSA-N 1 0 231.343 2.118 50 30 BEEARO CCNC(NCc1ccc(C)c(F)c1)=[NH+]CC ZINC000195529853 170042109 /nfs/dbraw/zinc/04/21/09/170042109.db2.gz NKENHCTWRMOKSQ-UHFFFAOYSA-N 1 0 237.322 2.209 50 30 BEEARO CC[C@@H](C)NC(=[NH2+])NCc1ccc(OC)c(C)c1 ZINC000069770166 170675703 /nfs/dbraw/zinc/67/57/03/170675703.db2.gz WSCMZSPUNUWFSK-LLVKDONJSA-N 1 0 249.358 2.206 50 30 BEEARO CN(/C=[NH+]/c1c(C#N)cnn1C)C1CCCCC1 ZINC000004739886 172292316 /nfs/dbraw/zinc/29/23/16/172292316.db2.gz IVJUIRPOXBQZNU-XNTDXEJSSA-N 1 0 245.330 2.216 50 30 BEEARO C[NH2+]CC#CCOc1ccc(C(C)C)cc1 ZINC000012383036 173323995 /nfs/dbraw/zinc/32/39/95/173323995.db2.gz WVQUAPCEMQIYKE-UHFFFAOYSA-N 1 0 217.312 2.412 50 30 BEEARO COc1ccc(C[N+](C)=O)c2ccccc12 ZINC000025757182 175050170 /nfs/dbraw/zinc/05/01/70/175050170.db2.gz BJZQBNBZOUACST-NTEUORMPSA-N 1 0 215.252 2.407 50 30 BEEARO COc1ccccc1OCC#CC[NH+]1CCCC1 ZINC000002862852 175340946 /nfs/dbraw/zinc/34/09/46/175340946.db2.gz VGEJYLKQZLDVSY-UHFFFAOYSA-N 1 0 245.322 2.173 50 30 BEEARO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CCCC#N)C1 ZINC000080901802 176051923 /nfs/dbraw/zinc/05/19/23/176051923.db2.gz LNHINPKYCKLPQK-OCCSQVGLSA-N 1 0 238.375 2.457 50 30 BEEARO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CCCC#N)C1 ZINC000080901812 176052586 /nfs/dbraw/zinc/05/25/86/176052586.db2.gz LNHINPKYCKLPQK-TZMCWYRMSA-N 1 0 238.375 2.457 50 30 BEEARO C[C@H](O)C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000065288559 176948404 /nfs/dbraw/zinc/94/84/04/176948404.db2.gz BHRSGQFSQOYBID-LBPRGKRZSA-N 1 0 244.338 2.151 50 30 BEEARO C[C@@H]1CCC[C@H](C)[N@H+]1CC#CC(C)(C)O ZINC000000197981 177116420 /nfs/dbraw/zinc/11/64/20/177116420.db2.gz RCTTWLVFPRFKCS-TXEJJXNPSA-N 1 0 209.333 2.024 50 30 BEEARO C[C@]1([N+](=O)Cc2ccco2)CCCCC1=O ZINC000002285912 177452290 /nfs/dbraw/zinc/45/22/90/177452290.db2.gz FXFARYDDROZDQG-VWLVURMCSA-N 1 0 221.256 2.111 50 30 BEEARO C#C[C@@H](C)NC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000187048702 518345063 /nfs/dbraw/zinc/34/50/63/518345063.db2.gz RFSMQDDWXQFOCS-LLVKDONJSA-N 1 0 215.300 2.052 50 30 BEEARO CNC(=[NH2+])NCC(C)(C)c1ccccc1Cl ZINC000253420593 523672486 /nfs/dbraw/zinc/67/24/86/523672486.db2.gz KXLHXGVIWVKKNY-UHFFFAOYSA-N 1 0 239.750 2.152 50 30 BEEARO Cc1cc(C=NO)c(C)n1-c1cc[nH+]cc1 ZINC000252428463 524610325 /nfs/dbraw/zinc/61/03/25/524610325.db2.gz GKDAFYOBVMSVCO-UHFFFAOYSA-N 1 0 215.256 2.297 50 30 BEEARO C#Cc1cccc(C[NH2+][C@H](C)[C@H]2CCOC2)c1 ZINC000585086728 972123363 /nfs/dbraw/zinc/12/33/63/972123363.db2.gz YXTMJAXTMGNNMU-DOMZBBRYSA-N 1 0 229.323 2.183 50 30 BEEARO C=CCC(C)(C)C[N@H+]1CC[C@H](CC(=O)NC)C1 ZINC000820449164 968476278 /nfs/dbraw/zinc/47/62/78/968476278.db2.gz AYIZFNNFCNGJEY-GFCCVEGCSA-N 1 0 238.375 2.047 50 30 BEEARO C=CC[C@H]1Nc2ccccc2[C@H]1CC[NH3+] ZINC000005725865 983856668 /nfs/dbraw/zinc/85/66/68/983856668.db2.gz ZYEPAWDPHHIWDP-VXGBXAGGSA-N 1 0 202.301 2.489 50 30 BEEARO CCCCCCCCCc1nc(N)nc(N)n1 ZINC000001557209 342702789 /nfs/dbraw/zinc/70/27/89/342702789.db2.gz BDPPZSFVSOBOIX-UHFFFAOYSA-N 1 0 237.351 2.329 50 30 BEEARO O=[N+](Cc1ccccc1)[C@@H]1CCCCC1=NO ZINC000016102151 342906213 /nfs/dbraw/zinc/90/62/13/342906213.db2.gz RWKLIXDNULITAC-VMTONAPISA-N 1 0 232.283 2.389 50 30 BEEARO c1csc(CCNC(NC2CC2)=[NH+]C2CC2)c1 ZINC000072271926 343122378 /nfs/dbraw/zinc/12/23/78/343122378.db2.gz LFNOKXVLQGUERO-UHFFFAOYSA-N 1 0 249.383 2.151 50 30 BEEARO C[C@H]1CC(=O)C=C([NH2+]Nc2ccccc2)C1 ZINC000005211399 187247802 /nfs/dbraw/zinc/24/78/02/187247802.db2.gz GEVSPVACZBEYCI-SNVBAGLBSA-N 1 0 216.284 2.486 50 30 BEEARO C[NH+]=C(NCC1CC1)N[C@@H](C)c1ccccc1 ZINC000071804080 343381494 /nfs/dbraw/zinc/38/14/94/343381494.db2.gz RPDXMRHUPKCVGG-NSHDSACASA-N 1 0 231.343 2.323 50 30 BEEARO C=C(Cl)C[N@H+]1CCCC[C@@H]1[C@@H](O)CC ZINC000076325387 187261964 /nfs/dbraw/zinc/26/19/64/187261964.db2.gz SEAKPTHNCAOOEA-MNOVXSKESA-N 1 0 217.740 2.364 50 30 BEEARO CNC(NCc1ccc(Cl)cc1Cl)=[NH+]C ZINC000057887245 187272950 /nfs/dbraw/zinc/27/29/50/187272950.db2.gz DAXYFCRPZQMLRV-UHFFFAOYSA-N 1 0 246.141 2.288 50 30 BEEARO C=CCc1ccc(O[C@H]2CC[NH2+]C2)c(OC)c1 ZINC000042775571 187355172 /nfs/dbraw/zinc/35/51/72/187355172.db2.gz UDJOBRMFPIDEHE-LBPRGKRZSA-N 1 0 233.311 2.164 50 30 BEEARO C=CCc1ccccc1O[C@H]1CC[NH2+]C1 ZINC000014632158 187363543 /nfs/dbraw/zinc/36/35/43/187363543.db2.gz GFHIHIZIVDXLJD-LBPRGKRZSA-N 1 0 203.285 2.156 50 30 BEEARO C=C(C)CSc1nnc([C@@H]2CCC[NH2+]2)o1 ZINC000005573947 346257974 /nfs/dbraw/zinc/25/79/74/346257974.db2.gz VYCMFSDMFLGWRN-QMMMGPOBSA-N 1 0 225.317 2.162 50 30 BEEARO CCCCCCCC[n+]1ccc(C(N)=O)cc1 ZINC000002156588 190973368 /nfs/dbraw/zinc/97/33/68/190973368.db2.gz ALJBHSZQODJPJG-UHFFFAOYSA-O 1 0 235.351 2.434 50 30 BEEARO C/C(=[NH+]\c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000004553888 191119235 /nfs/dbraw/zinc/11/92/35/191119235.db2.gz SZXZMKAOUGQCFZ-DHZHZOJOSA-N 1 0 207.233 2.206 50 30 BEEARO NC(=[NH2+])Nc1ccc(Br)cc1Cl ZINC000052091892 350917071 /nfs/dbraw/zinc/91/70/71/350917071.db2.gz STFQHQHJJXSZOT-UHFFFAOYSA-N 1 0 248.511 2.007 50 30 BEEARO C=CCOc1ccc(C[N@H+]2CCC[C@H]2CO)cc1 ZINC000092455569 188049331 /nfs/dbraw/zinc/04/93/31/188049331.db2.gz OFXDFFTZMCKBDZ-AWEZNQCLSA-N 1 0 247.338 2.208 50 30 BEEARO C=C(C)C[NH2+][C@@H](C)[C@@H](C)n1cc(C)cn1 ZINC000069652961 188284587 /nfs/dbraw/zinc/28/45/87/188284587.db2.gz UUSSJNNPWBNLJS-NWDGAFQWSA-N 1 0 207.321 2.307 50 30 BEEARO CC(C)(O)C#Cc1ccc([C@H]2[NH2+]CCS2)cc1 ZINC000055214710 188403658 /nfs/dbraw/zinc/40/36/58/188403658.db2.gz DKJSEEQIBWJOKI-ZDUSSCGKSA-N 1 0 247.363 2.144 50 30 BEEARO N#Cc1cccc(C[NH2+]Cc2ccccn2)c1 ZINC000019957146 181138294 /nfs/dbraw/zinc/13/82/94/181138294.db2.gz NEFFVBKWRKJFLA-UHFFFAOYSA-N 1 0 223.279 2.243 50 30 BEEARO CC(C)=CCCNC(=[NH2+])N1CCCCC1 ZINC000252490360 363397483 /nfs/dbraw/zinc/39/74/83/363397483.db2.gz KQZRNJURENWAHM-UHFFFAOYSA-N 1 0 209.337 2.143 50 30 BEEARO C=CCc1ccc(OC[C@@H](O)C[NH2+]C(C)C)cc1 ZINC000003650832 355350502 /nfs/dbraw/zinc/35/05/02/355350502.db2.gz PDUAYNIDLQOSGX-AWEZNQCLSA-N 1 0 249.354 2.153 50 30 BEEARO C=CCc1ccccc1OC[C@H](O)C[NH2+]C(C)C ZINC000000000023 355890399 /nfs/dbraw/zinc/89/03/99/355890399.db2.gz PAZJSJFMUHDSTF-CQSZACIVSA-N 1 0 249.354 2.153 50 30 world BEEARO C=CCC(O)(CC=C)[C@@H]([NH3+])Cc1ccccc1 ZINC000000173965 355891600 /nfs/dbraw/zinc/89/16/00/355891600.db2.gz XPQQEJWDGKNROZ-AWEZNQCLSA-N 1 0 231.339 2.440 50 30 BEEARO C=CCOc1ccccc1CN1CCOCC1 ZINC000019634772 356484257 /nfs/dbraw/zinc/48/42/57/356484257.db2.gz UEOBBFXQFKQASD-UHFFFAOYSA-N 1 0 233.311 2.084 50 30 BEEARO C=CC[NH2+]Cc1cc2cccc(C)c2[nH]c1=O ZINC000075274182 356932140 /nfs/dbraw/zinc/93/21/40/356932140.db2.gz DOCAHJRPKRBNRF-UHFFFAOYSA-N 1 0 228.295 2.112 50 30 BEEARO [NH3+]CC#Cc1cc(Cl)cc(Cl)c1 ZINC000091690354 181346640 /nfs/dbraw/zinc/34/66/40/181346640.db2.gz QRLFSCCZQLMHJH-UHFFFAOYSA-N 1 0 200.068 2.304 50 30 BEEARO N#Cc1cccc(C[NH+]2CCSCC2)c1 ZINC000020257267 371251579 /nfs/dbraw/zinc/25/15/79/371251579.db2.gz IUCBUYOYNZPICA-UHFFFAOYSA-N 1 0 218.325 2.107 50 30 BEEARO O=C(C[n+]1ccncc1)c1cccc2ccccc21 ZINC000006342419 182032733 /nfs/dbraw/zinc/03/27/33/182032733.db2.gz WFDCJDMHKOQSFC-UHFFFAOYSA-N 1 0 249.293 2.405 50 30 BEEARO CCC[NH2+]CC#CCOc1ccc(OC)cc1 ZINC000008750330 169255872 /nfs/dbraw/zinc/25/58/72/169255872.db2.gz OEYLCNKGQMJKMI-UHFFFAOYSA-N 1 0 233.311 2.077 50 30 BEEARO Cc1nc(CNC(=[NH2+])Nc2ccccc2)cs1 ZINC000050285682 383991544 /nfs/dbraw/zinc/99/15/44/383991544.db2.gz WWUNMLURDJPRAV-UHFFFAOYSA-N 1 0 246.339 2.378 50 30 BEEARO O=C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038866806 384097780 /nfs/dbraw/zinc/09/77/80/384097780.db2.gz VXLGEGLTEVHHOC-CYBMUJFWSA-N 1 0 203.285 2.098 50 30 BEEARO CC(=O)c1cc[n+](CC(=O)c2cccs2)cc1 ZINC000005613446 384125211 /nfs/dbraw/zinc/12/52/11/384125211.db2.gz CSRNLZUPRQAIRU-UHFFFAOYSA-N 1 0 246.311 2.121 50 30 BEEARO C=C(C)C[N@@H+](C)[C@H](CO)c1ccc(OC)cc1 ZINC000071904386 384145937 /nfs/dbraw/zinc/14/59/37/384145937.db2.gz SDARROYBZGPWSU-CQSZACIVSA-N 1 0 235.327 2.237 50 30 BEEARO C=C(C)C[N@H+](CCO)Cc1ccccc1 ZINC000049752619 386657049 /nfs/dbraw/zinc/65/70/49/386657049.db2.gz DAWCHHRBJSAGCY-UHFFFAOYSA-N 1 0 205.301 2.057 50 30 BEEARO CCNC(NCc1cccc(C)c1)=[NH+]CC ZINC000066243273 387427193 /nfs/dbraw/zinc/42/71/93/387427193.db2.gz OCJHIHBYIJCIBF-UHFFFAOYSA-N 1 0 219.332 2.070 50 30 BEEARO C[C@@H](Cc1ccco1)[NH+]1CCC(C#N)CC1 ZINC000575606322 387392772 /nfs/dbraw/zinc/39/27/72/387392772.db2.gz IDGIXTMFCQSSOV-NSHDSACASA-N 1 0 218.300 2.446 50 30 BEEARO C=C(Cl)C[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000076325377 388397450 /nfs/dbraw/zinc/39/74/50/388397450.db2.gz SEAKPTHNCAOOEA-QWRGUYRKSA-N 1 0 217.740 2.364 50 30 BEEARO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000069809618 388427081 /nfs/dbraw/zinc/42/70/81/388427081.db2.gz GFSWFQKYQRKRQJ-DOMZBBRYSA-N 1 0 244.338 2.294 50 30 BEEARO C=C1[NH+]2CCC(CC2)[C@]1(O)c1ccc(C)cc1 ZINC000000192643 388805481 /nfs/dbraw/zinc/80/54/81/388805481.db2.gz LAKWJOKCQGLUKQ-OAHLLOKOSA-N 1 0 229.323 2.422 50 30 BEEARO C=CC[N@@H+](C)Cc1cccc(OC)c1OC ZINC000058129704 166323552 /nfs/dbraw/zinc/32/35/52/166323552.db2.gz GGYZMMIRXOMXMS-UHFFFAOYSA-N 1 0 221.300 2.322 50 30 BEEARO C=CC[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000130651164 166397318 /nfs/dbraw/zinc/39/73/18/166397318.db2.gz JRUDPWWDIDINBU-UHFFFAOYSA-N 1 0 237.372 2.196 50 30 BEEARO CC1=C[C@H](C)[C@H](/C=[NH+]/n2cnnc2)[C@@H](C)C1 ZINC000004166758 168132210 /nfs/dbraw/zinc/13/22/10/168132210.db2.gz UAUNHPQNZAJKTA-ORGZKNABSA-N 1 0 218.304 2.350 50 30 BEEARO CCNC(NCc1ccc(C)s1)=[NH+]CC ZINC000225528849 170042630 /nfs/dbraw/zinc/04/26/30/170042630.db2.gz XUIUGBDTZDSNOT-UHFFFAOYSA-N 1 0 225.361 2.132 50 30 BEEARO CCNC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000000393834 170108392 /nfs/dbraw/zinc/10/83/92/170108392.db2.gz NPYMJCBIPUSGQF-UHFFFAOYSA-N 1 0 243.354 2.154 50 30 BEEARO CC[C@H](C)NC(NCCCCSC)=[NH+]C ZINC000088987698 171316492 /nfs/dbraw/zinc/31/64/92/171316492.db2.gz OQBFCCYJOZSOPI-JTQLQIEISA-N 1 0 231.409 2.093 50 30 BEEARO COc1cccc(C2(C#N)CC[NH+](C)CC2)c1 ZINC000004512181 175248366 /nfs/dbraw/zinc/24/83/66/175248366.db2.gz COYLNHITVXBZPK-UHFFFAOYSA-N 1 0 230.311 2.182 50 30 in-vitro BEEARO C[C@H]([NH2+]CC#Cc1ccccc1)C1CCOCC1 ZINC000170090537 176831853 /nfs/dbraw/zinc/83/18/53/176831853.db2.gz DDEJXSBQLBPLPY-AWEZNQCLSA-N 1 0 243.350 2.443 50 30 BEEARO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)[C@H]1C ZINC000292940292 177263058 /nfs/dbraw/zinc/26/30/58/177263058.db2.gz HSBIDQSXWNRDAQ-QWRGUYRKSA-N 1 0 200.285 2.398 50 30 BEEARO C#CC[N@@+](C)(CC#CC=C)Cc1ccccc1 ZINC000245295350 518339915 /nfs/dbraw/zinc/33/99/15/518339915.db2.gz DCWQKCLEHGONRL-KRWDZBQOSA-N 1 0 224.327 2.456 50 30 BEEARO CC(C)[C@H](CNC(=[NH2+])N(C)C)Cc1ccccc1 ZINC000189083076 519813529 /nfs/dbraw/zinc/81/35/29/519813529.db2.gz DOASKIBNIJBHDL-AWEZNQCLSA-N 1 0 247.386 2.378 50 30 BEEARO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000252480076 522019680 /nfs/dbraw/zinc/01/96/80/522019680.db2.gz BUERJAFMGPFVPK-IGQOVBAYSA-N 1 0 238.375 2.455 50 30 BEEARO CN(C)C(=[NH2+])NCc1ccc(C(F)F)cc1 ZINC000184879593 523967618 /nfs/dbraw/zinc/96/76/18/523967618.db2.gz SUCHEPYVGPMZKA-UHFFFAOYSA-N 1 0 227.258 2.001 50 30 BEEARO C[N@@+]12CCCC[C@@H]1[C@H](COCCC#N)CCC2 ZINC000252441324 525360249 /nfs/dbraw/zinc/36/02/49/525360249.db2.gz QARMSOSZILCYGF-LZWOXQAQSA-N 1 0 237.367 2.326 50 30 BEEARO CC(C)(C#CC[NH+]1CCCCC1)OCCC#N ZINC000002931982 631984159 /nfs/dbraw/zinc/98/41/59/631984159.db2.gz FEDWZXJVOKDFNG-UHFFFAOYSA-N 1 0 234.343 2.185 50 30 BEEARO CC[NH+]=C(NCc1ncccc1C)N[C@@H](C)CC ZINC000078971256 643174879 /nfs/dbraw/zinc/17/48/79/643174879.db2.gz XECDQBCBSMHGBG-LBPRGKRZSA-N 1 0 248.374 2.244 50 30 BEEARO C=CCNC(N[C@H](C)c1ccc(C)o1)=[NH+]CC ZINC000089914187 644570861 /nfs/dbraw/zinc/57/08/61/644570861.db2.gz FJHHVSHCNBKTOV-LLVKDONJSA-N 1 0 235.331 2.390 50 30 BEEARO [NH2+]=C(NC[C@H]1CC=CCC1)N1CCCCC1 ZINC000097001321 644860641 /nfs/dbraw/zinc/86/06/41/644860641.db2.gz ZPXUFDABLHILHA-LBPRGKRZSA-N 1 0 221.348 2.143 50 30 BEEARO C#CCC[C@@H](O)C[NH2+][C@H](C)Cc1ccccc1F ZINC000717863035 712639138 /nfs/dbraw/zinc/63/91/38/712639138.db2.gz ZWSSZVHVIWXVFL-TZMCWYRMSA-N 1 0 249.329 2.121 50 30 BEEARO C#Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCOC2)cc1 ZINC000585079555 972112144 /nfs/dbraw/zinc/11/21/44/972112144.db2.gz YCGABWSJSUBJRD-IUODEOHRSA-N 1 0 229.323 2.183 50 30 BEEARO C#Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCOC2)c1 ZINC000585086731 972123367 /nfs/dbraw/zinc/12/33/67/972123367.db2.gz YXTMJAXTMGNNMU-WFASDCNBSA-N 1 0 229.323 2.183 50 30 BEEARO Cc1cnc(N)c(C#C[Si](C)(C)C)c1 ZINC000169794069 963878144 /nfs/dbraw/zinc/87/81/44/963878144.db2.gz NMFPYZARSQCPID-UHFFFAOYSA-N 1 0 204.349 2.201 50 30 BEEARO C=CCn1cc(C[N@H+]2C[C@@H]3CC[C@@H](C3)C2)cn1 ZINC000820505331 968476321 /nfs/dbraw/zinc/47/63/21/968476321.db2.gz PSKIPYNPYBCVRO-BETUJISGSA-N 1 0 231.343 2.301 50 30 BEEARO C[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)N1CCCC1 ZINC000952877777 974057096 /nfs/dbraw/zinc/05/70/96/974057096.db2.gz VLRGCKHEPJDIDZ-HZSPNIEDSA-N 1 0 235.375 2.143 50 30 BEEARO N#C[C@@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000071372539 398147825 /nfs/dbraw/zinc/14/78/25/398147825.db2.gz YDGDHTYZTPBCLZ-STQMWFEESA-N 1 0 200.285 2.436 50 30 in-vitro BEEARO C=CCCCN(C)C(NC1CC1)=[NH+]CC ZINC000170590893 361755436 /nfs/dbraw/zinc/75/54/36/361755436.db2.gz KEJAZOBVHABFOV-UHFFFAOYSA-N 1 0 209.337 2.012 50 30 BEEARO C[C@]1([N+](=O)Cc2ccccc2O)CCCCC1=O ZINC000002267988 398270920 /nfs/dbraw/zinc/27/09/20/398270920.db2.gz VHJNNOBJFUIXFD-QTNMRXCUSA-N 1 0 247.294 2.223 50 30 BEEARO Cc1c[n+](CC(=O)c2ccccc2)cs1 ZINC000004671195 342750235 /nfs/dbraw/zinc/75/02/35/342750235.db2.gz YHTOMDDYQLLBIJ-UHFFFAOYSA-N 1 0 218.301 2.227 50 30 BEEARO Cc1cc(Br)cnc1/[NH+]=C/N(C)C ZINC000004367152 342747124 /nfs/dbraw/zinc/74/71/24/342747124.db2.gz HSXOSVRUJIQAHE-WUXMJOGZSA-N 1 0 242.120 2.374 50 30 BEEARO C=CCOc1ccc(C[NH2+]C(C)(C)CO)cc1 ZINC000004670800 398294705 /nfs/dbraw/zinc/29/47/05/398294705.db2.gz IRAAOEWMBSIMPG-UHFFFAOYSA-N 1 0 235.327 2.112 50 30 BEEARO Cc1ccccc1NC(=[NH2+])NCC[C@@H]1CCCO1 ZINC000072272424 343126838 /nfs/dbraw/zinc/12/68/38/343126838.db2.gz SCSMRXZPGCILOR-LBPRGKRZSA-N 1 0 247.342 2.291 50 30 BEEARO C=CCC1(NCc2ccco2)CC[NH+](C)CC1 ZINC000000211875 187244507 /nfs/dbraw/zinc/24/45/07/187244507.db2.gz QJYMSTNDVJLCEE-UHFFFAOYSA-N 1 0 234.343 2.410 50 30 BEEARO CC[NH+](CC)CC#C[C@@](C)(O)C(C)(C)C ZINC000002485722 343270653 /nfs/dbraw/zinc/27/06/53/343270653.db2.gz RKWMQSLXMOLXSP-CYBMUJFWSA-N 1 0 211.349 2.129 50 30 BEEARO CCNC(NCCC1=CCCC1)=[NH+]CC ZINC000133347755 344318330 /nfs/dbraw/zinc/31/83/30/344318330.db2.gz UBWRCPMLKTVQIZ-UHFFFAOYSA-N 1 0 209.337 2.062 50 30 BEEARO N#C[C@H]1C[NH2+]C[C@H]1c1ccccc1Cl ZINC000259673128 344682395 /nfs/dbraw/zinc/68/23/95/344682395.db2.gz JXGRSWBBZMWJMA-WCBMZHEXSA-N 1 0 206.676 2.167 50 30 BEEARO C=C(C)C[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000000168992 187298399 /nfs/dbraw/zinc/29/83/99/187298399.db2.gz GTSIPQNNVZDQNP-AWEZNQCLSA-N 1 0 217.312 2.466 50 30 biogenic BEEARO CC[C@](C)(C#CC[NH+]1CCCCC1)OC(C)=O ZINC000000194682 345419101 /nfs/dbraw/zinc/41/91/01/345419101.db2.gz GWVKVVKUKYVACS-CQSZACIVSA-N 1 0 237.343 2.208 50 30 BEEARO C=C(C)C[N@H+](CC)C[C@H](O)COc1ccccc1 ZINC000002639084 187318536 /nfs/dbraw/zinc/31/85/36/187318536.db2.gz FSXVYJQGLCOBIR-AWEZNQCLSA-N 1 0 249.354 2.324 50 30 BEEARO CCCC1=[N+](CC(C)=O)CCn2c(C)ccc21 ZINC000001753397 351305248 /nfs/dbraw/zinc/30/52/48/351305248.db2.gz KMAADYHUXQJRTR-UHFFFAOYSA-N 1 0 233.335 2.001 50 30 BEEARO COc1ccc(C(=O)C[n+]2cccc(C)c2)cc1 ZINC000001667170 187925797 /nfs/dbraw/zinc/92/57/97/187925797.db2.gz FKPUWQWINBUKIG-UHFFFAOYSA-N 1 0 242.298 2.174 50 30 BEEARO C=C(Cl)C[N@H+]1CC[C@H](CSC)C1 ZINC000096417921 188016944 /nfs/dbraw/zinc/01/69/44/188016944.db2.gz XXESZRMPOVDMFZ-VIFPVBQESA-N 1 0 205.754 2.424 50 30 BEEARO C=C(C)C(=O)OCC[N+](C)(C)Cc1ccccc1 ZINC000005158223 188051992 /nfs/dbraw/zinc/05/19/92/188051992.db2.gz ILWNQJSSTDJSJX-UHFFFAOYSA-N 1 0 248.346 2.382 50 30 BEEARO C[NH2+]Cc1ccc(Oc2ncccc2C#N)cc1 ZINC000074934408 188307623 /nfs/dbraw/zinc/30/76/23/188307623.db2.gz NLMFUFQWKVDYPP-UHFFFAOYSA-N 1 0 239.278 2.465 50 30 BEEARO C[N+](=O)Cc1ccc(C(F)(F)F)cc1 ZINC000031830140 188358301 /nfs/dbraw/zinc/35/83/01/188358301.db2.gz YDQVHLJRYUAVRA-AWNIVKPZSA-N 1 0 203.163 2.264 50 30 BEEARO C#CC[N+]1(CC#Cc2ccccc2)CCCC1 ZINC000002273569 188408439 /nfs/dbraw/zinc/40/84/39/188408439.db2.gz BAPVFWDHAXAWCD-UHFFFAOYSA-N 1 0 224.327 2.282 50 30 BEEARO C=C1[NH+]2CCC(CC2)[C@@]1(O)c1ccc(C)cc1 ZINC000000192645 363288850 /nfs/dbraw/zinc/28/88/50/363288850.db2.gz LAKWJOKCQGLUKQ-HNNXBMFYSA-N 1 0 229.323 2.422 50 30 BEEARO C=CCNC(=[NH2+])N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000170642329 363323631 /nfs/dbraw/zinc/32/36/31/363323631.db2.gz USRNBHCBLDEAOU-VXGBXAGGSA-N 1 0 221.348 2.046 50 30 BEEARO CCCCCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000002160135 363337145 /nfs/dbraw/zinc/33/71/45/363337145.db2.gz BGQZAHIRBZUDOL-LBPRGKRZSA-N 1 0 226.364 2.154 50 30 BEEARO N#Cc1ccc(F)c(C[NH+]2CCCC2)c1 ZINC000019484486 181112394 /nfs/dbraw/zinc/11/23/94/181112394.db2.gz OHAOVYBMCROTPW-UHFFFAOYSA-N 1 0 204.248 2.293 50 30 BEEARO N#Cc1cccc(OCC[NH+]2CCCC2)c1 ZINC000011886166 181142920 /nfs/dbraw/zinc/14/29/20/181142920.db2.gz KXJZANZVXSKUAF-UHFFFAOYSA-N 1 0 216.284 2.033 50 30 BEEARO CC[NH+](CC)CC#C[C@H](O)c1ccccc1 ZINC000002493675 355922317 /nfs/dbraw/zinc/92/23/17/355922317.db2.gz IUBSFDOHSKQPQS-AWEZNQCLSA-N 1 0 217.312 2.065 50 30 BEEARO C=CCOc1ccccc1C[NH+]1CCC(O)CC1 ZINC000002489763 355922654 /nfs/dbraw/zinc/92/26/54/355922654.db2.gz OBHPBIMQXLUFRE-UHFFFAOYSA-N 1 0 247.338 2.208 50 30 BEEARO CC[NH+](CC)CC/N=C/c1ccc(OC)cc1 ZINC000002167577 356365510 /nfs/dbraw/zinc/36/55/10/356365510.db2.gz JFHZNIWFTKKGNA-NTCAYCPXSA-N 1 0 234.343 2.456 50 30 BEEARO C[NH+]=C(NCCc1cccc(F)c1)N1CCCC1 ZINC000095947704 538609317 /nfs/dbraw/zinc/60/93/17/538609317.db2.gz MYOLOVVBZSXRTM-UHFFFAOYSA-N 1 0 249.333 2.039 50 30 BEEARO CNC(=[NH2+])NCC1(c2cccs2)CCCC1 ZINC000095958197 538610258 /nfs/dbraw/zinc/61/02/58/538610258.db2.gz GLZWMQBCSJXGFG-UHFFFAOYSA-N 1 0 237.372 2.094 50 30 BEEARO C=C[C@@H](C)OC(=O)c1ccn2c[nH+]cc2c1 ZINC000225446892 370665546 /nfs/dbraw/zinc/66/55/46/370665546.db2.gz WHVOUZUGTMFXOY-SECBINFHSA-N 1 0 216.240 2.066 50 30 BEEARO C=CCc1ccc(OC[C@H]2CC[NH2+]C2)c(OC)c1 ZINC000042771256 219889534 /nfs/dbraw/zinc/88/95/34/219889534.db2.gz YHTHCUXIDANZLY-ZDUSSCGKSA-N 1 0 247.338 2.412 50 30 BEEARO C=CCC[C@H](C)[NH2+][C@H]1CCC[C@]1(C)CO ZINC000253369368 368939738 /nfs/dbraw/zinc/93/97/38/368939738.db2.gz BRRIMTBJBRJNGL-RWMBFGLXSA-N 1 0 211.349 2.482 50 30 BEEARO C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000019921384 371202491 /nfs/dbraw/zinc/20/24/91/371202491.db2.gz JTZFLOPOWXCFRM-UHFFFAOYSA-N 1 0 215.300 2.064 50 30 BEEARO C=C[C@H]1CCCC[N@H+]1CCc1cnn(CC)c1 ZINC000390834767 371240135 /nfs/dbraw/zinc/24/01/35/371240135.db2.gz XZLKRIFNBSZCAB-AWEZNQCLSA-N 1 0 233.359 2.486 50 30 BEEARO CN(C)/C=[NH+]/CCCOc1ccccc1 ZINC000096027248 371382341 /nfs/dbraw/zinc/38/23/41/371382341.db2.gz FQMVNWOPXCJAPU-ACCUITESSA-N 1 0 206.289 2.045 50 30 BEEARO CCCC[NH2+]CC#CCOc1ccccc1OC ZINC000002862691 168865410 /nfs/dbraw/zinc/86/54/10/168865410.db2.gz VNXRLRSDKMAZIN-UHFFFAOYSA-N 1 0 247.338 2.467 50 30 BEEARO CCCNC(=[NH2+])NCc1ccccc1OC(C)C ZINC000069514227 169183263 /nfs/dbraw/zinc/18/32/63/169183263.db2.gz CFSHPXGWYQYXOU-UHFFFAOYSA-N 1 0 249.358 2.288 50 30 BEEARO CCNC(N[C@H](C)c1ccccc1OC)=[NH+]CC ZINC000096402686 384934707 /nfs/dbraw/zinc/93/47/07/384934707.db2.gz NIIZPKJAEASLRN-LLVKDONJSA-N 1 0 249.358 2.331 50 30 BEEARO CNC(N[C@@H](C)c1cccc(OC(C)C)c1)=[NH+]C ZINC000058245856 384991492 /nfs/dbraw/zinc/99/14/92/384991492.db2.gz JFYJHPBJGCGWCB-NSHDSACASA-N 1 0 249.358 2.330 50 30 BEEARO CCNC(NCc1ccccc1Cl)=[NH+]CC ZINC000066242416 387426916 /nfs/dbraw/zinc/42/69/16/387426916.db2.gz BVGGFDGFBLBUDB-UHFFFAOYSA-N 1 0 239.750 2.415 50 30 BEEARO C=C(C)CN(CC)C(=O)C[NH+]1CCCCCC1 ZINC000052856772 387808965 /nfs/dbraw/zinc/80/89/65/387808965.db2.gz BRBIMAXHORARGK-UHFFFAOYSA-N 1 0 238.375 2.287 50 30 BEEARO C#CC[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000065621864 388170629 /nfs/dbraw/zinc/17/06/29/388170629.db2.gz JDQWXZAZPITUFQ-GFCCVEGCSA-N 1 0 235.352 2.362 50 30 BEEARO C[C@@H](O)C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000065288560 388255811 /nfs/dbraw/zinc/25/58/11/388255811.db2.gz BHRSGQFSQOYBID-GFCCVEGCSA-N 1 0 244.338 2.151 50 30 BEEARO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc(C#N)nc2)C1 ZINC000195535386 388478607 /nfs/dbraw/zinc/47/86/07/388478607.db2.gz RBVWLEWSMHSXGA-RISCZKNCSA-N 1 0 244.342 2.238 50 30 BEEARO C=CCCC(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000244914782 388413316 /nfs/dbraw/zinc/41/33/16/388413316.db2.gz BDSYYCXLIDXSDQ-CYBMUJFWSA-N 1 0 246.310 2.028 50 30 BEEARO C#Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2O)cc1 ZINC000253430317 388592787 /nfs/dbraw/zinc/59/27/87/388592787.db2.gz QHVFNCQWGGNMKM-CABCVRRESA-N 1 0 229.323 2.061 50 30 BEEARO C=C(C)CN1CC[NH+](CCC(C)C)CC1 ZINC000095350436 388763580 /nfs/dbraw/zinc/76/35/80/388763580.db2.gz VHUDWZNXTWAYPY-UHFFFAOYSA-N 1 0 210.365 2.226 50 30 BEEARO C=CC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000040456777 132223456 /nfs/dbraw/zinc/22/34/56/132223456.db2.gz YAXOELKVSQXZDE-UHFFFAOYSA-N 1 0 232.327 2.003 50 30 BEEARO C=CC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000040162232 132223469 /nfs/dbraw/zinc/22/34/69/132223469.db2.gz NMCREZVJTPONHJ-UHFFFAOYSA-N 1 0 220.291 2.134 50 30 BEEARO C=C(C)C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000072284568 132303565 /nfs/dbraw/zinc/30/35/65/132303565.db2.gz GEYCIVYHDVDZOE-UHFFFAOYSA-N 1 0 232.327 2.090 50 30 BEEARO N#CCCC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000097101739 410055506 /nfs/dbraw/zinc/05/55/06/410055506.db2.gz OQKHHWSDFZVYOK-OLZOCXBDSA-N 1 0 232.331 2.260 50 30 BEEARO C#CC[N@@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000096455327 166169428 /nfs/dbraw/zinc/16/94/28/166169428.db2.gz NDXQDJPAFBWKDZ-NSHDSACASA-N 1 0 203.285 2.408 50 30 BEEARO C=CCCC[N@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000035287504 166234201 /nfs/dbraw/zinc/23/42/01/166234201.db2.gz VQQQGEOEVKXBTD-GFCCVEGCSA-N 1 0 225.332 2.228 50 30 BEEARO C=CCN1CCC([NH2+]C2CCSCC2)CC1 ZINC000089893978 166351899 /nfs/dbraw/zinc/35/18/99/166351899.db2.gz JXYNOKRSHNSNBD-UHFFFAOYSA-N 1 0 240.416 2.122 50 30 BEEARO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000658334591 411343120 /nfs/dbraw/zinc/34/31/20/411343120.db2.gz NQRWGSDKWSXCGA-WCBMZHEXSA-N 1 0 242.269 2.217 50 30 BEEARO CC1=C[C@H](C)[C@@H](/C=[NH+]/n2cnnc2)[C@@H](C)C1 ZINC000169313473 168130876 /nfs/dbraw/zinc/13/08/76/168130876.db2.gz UAUNHPQNZAJKTA-AAYGLKKUSA-N 1 0 218.304 2.350 50 30 BEEARO CCOCCC[NH2+]CC#Cc1ccccc1 ZINC000002178136 170380410 /nfs/dbraw/zinc/38/04/10/170380410.db2.gz SYBNJKSWWGUOHO-UHFFFAOYSA-N 1 0 217.312 2.054 50 30 BEEARO CCc1ccc(C(C)(C)CNC(=[NH2+])N(C)C)cc1 ZINC000079918130 171788367 /nfs/dbraw/zinc/78/83/67/171788367.db2.gz FUDWNMRSWQMFET-UHFFFAOYSA-N 1 0 247.386 2.403 50 30 BEEARO CNC(NCCc1cccc2ccccc21)=[NH+]C ZINC000170610584 173211358 /nfs/dbraw/zinc/21/13/58/173211358.db2.gz OSVZGNCVWPRAKZ-UHFFFAOYSA-N 1 0 241.338 2.177 50 30 BEEARO C[NH2+]CC#CCOc1cc(C)cc(C)c1C ZINC000016624314 173323620 /nfs/dbraw/zinc/32/36/20/173323620.db2.gz GZWFPTPZYFDZGN-UHFFFAOYSA-N 1 0 217.312 2.213 50 30 BEEARO C[NH2+]CC#CCOc1ccc(Cl)c(C)c1 ZINC000016622252 173324227 /nfs/dbraw/zinc/32/42/27/173324227.db2.gz HGGIIUBKVCIRFG-UHFFFAOYSA-N 1 0 223.703 2.250 50 30 BEEARO C[C@@H]1C[NH+]=C(NCc2ccccc2)S1 ZINC000004785782 176322735 /nfs/dbraw/zinc/32/27/35/176322735.db2.gz TUSOLQRZIXORLP-SECBINFHSA-N 1 0 206.314 2.268 50 30 BEEARO C=C(C)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105920134 518604376 /nfs/dbraw/zinc/60/43/76/518604376.db2.gz NOFPIXLBTBETEV-UHFFFAOYSA-N 1 0 219.332 2.171 50 30 BEEARO Cc1ccc(C[NH+]=C(N(C)C)N(C)C)cc1F ZINC000104158561 524486375 /nfs/dbraw/zinc/48/63/75/524486375.db2.gz RBHLFNCEXSHVJT-UHFFFAOYSA-N 1 0 237.322 2.113 50 30 BEEARO C[N@+]12CCCC[C@H]1[C@@H](COCCC#N)CCC2 ZINC000245232174 525358062 /nfs/dbraw/zinc/35/80/62/525358062.db2.gz QARMSOSZILCYGF-IJEWVQPXSA-N 1 0 237.367 2.326 50 30 biogenic BEEARO Cc1oc2ccccc2c1CNC(=[NH2+])NC1CC1 ZINC000184815687 526786807 /nfs/dbraw/zinc/78/68/07/526786807.db2.gz DJRKZWWSUHAYDH-UHFFFAOYSA-N 1 0 243.310 2.308 50 30 BEEARO CCNC(=[NH2+])N(C)Cc1ccc(SC)cc1 ZINC000095959592 636940302 /nfs/dbraw/zinc/94/03/02/636940302.db2.gz USZWAAKLYRIRJQ-UHFFFAOYSA-N 1 0 237.372 2.175 50 30 BEEARO C#CCC[C@H](O)C[NH2+][C@@H](C)Cc1ccccc1F ZINC000717863032 712639102 /nfs/dbraw/zinc/63/91/02/712639102.db2.gz ZWSSZVHVIWXVFL-JSGCOSHPSA-N 1 0 249.329 2.121 50 30 BEEARO CC(C)(O)C#Cc1ccc(C[NH+]2CC=CC2)cc1 ZINC000820608252 1168439038 /nfs/dbraw/zinc/43/90/38/1168439038.db2.gz HCZDFEGJWVHSKN-UHFFFAOYSA-N 1 0 241.334 2.181 50 30 BEEARO C[NH+]1CCC(=NOC(=O)Nc2ccccc2)CC1 ZINC000000171161 342679194 /nfs/dbraw/zinc/67/91/94/342679194.db2.gz WCNNDRFVXRKIES-UHFFFAOYSA-N 1 0 247.298 2.317 50 30 BEEARO C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC000001428347 342700665 /nfs/dbraw/zinc/70/06/65/342700665.db2.gz ZLFQTZYFXYOGLS-UHFFFAOYSA-N 1 0 200.285 2.174 50 30 BEEARO CCc1cc2ccccc2c[n+]1CC(C)=O ZINC000002810096 342727286 /nfs/dbraw/zinc/72/72/86/342727286.db2.gz YAEINFZZLKYXOQ-UHFFFAOYSA-N 1 0 214.288 2.279 50 30 BEEARO C#CC[N+](C)(C)CC#Cc1ccc(Cl)cc1 ZINC000000494878 346877665 /nfs/dbraw/zinc/87/76/65/346877665.db2.gz WFQDVXAOVAUQLT-UHFFFAOYSA-N 1 0 232.734 2.401 50 30 BEEARO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccoc1 ZINC000089967894 187243559 /nfs/dbraw/zinc/24/35/59/187243559.db2.gz NOFCCKLMPXIQKX-GFCCVEGCSA-N 1 0 249.310 2.170 50 30 BEEARO CCN(CC)C(N(CC)CC)=[N+](CC)CC ZINC000033962721 343263329 /nfs/dbraw/zinc/26/33/29/343263329.db2.gz ZSZGLSAHRNYXPR-UHFFFAOYSA-N 1 0 228.404 2.078 50 30 BEEARO C[NH+]=C(NCC1CC1)N[C@H](C)c1ccccc1 ZINC000071804081 343381411 /nfs/dbraw/zinc/38/14/11/343381411.db2.gz RPDXMRHUPKCVGG-LLVKDONJSA-N 1 0 231.343 2.323 50 30 BEEARO CC(C)NC(=[NH2+])NCCc1ccc(Cl)cc1 ZINC000052044244 187271284 /nfs/dbraw/zinc/27/12/84/187271284.db2.gz AUZXUYPJBWEXNF-UHFFFAOYSA-N 1 0 239.750 2.195 50 30 BEEARO C#CC1(O)CC[NH+](CCCc2ccccc2)CC1 ZINC000220483389 344471765 /nfs/dbraw/zinc/47/17/65/344471765.db2.gz PIUVOXZQYZZVCD-UHFFFAOYSA-N 1 0 243.350 2.079 50 30 BEEARO C=CCC[C@H](C)[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000252586379 345546098 /nfs/dbraw/zinc/54/60/98/345546098.db2.gz PNOZXUVFNKPWKC-RWMBFGLXSA-N 1 0 211.349 2.482 50 30 BEEARO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000092470686 187360730 /nfs/dbraw/zinc/36/07/30/187360730.db2.gz OFXDFFTZMCKBDZ-CQSZACIVSA-N 1 0 247.338 2.208 50 30 BEEARO C=CCC[C@@H](O)C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190557949 345981433 /nfs/dbraw/zinc/98/14/33/345981433.db2.gz DOXIZNPEIRTFOS-GFCCVEGCSA-N 1 0 241.375 2.203 50 30 BEEARO C=CCOc1ccccc1C[NH2+]C(C)(C)CO ZINC000004670797 187363733 /nfs/dbraw/zinc/36/37/33/187363733.db2.gz DFBLZZAXZNEMCP-UHFFFAOYSA-N 1 0 235.327 2.112 50 30 BEEARO Cc1csc[n+]1CC(=O)c1ccccc1 ZINC000001668320 179800843 /nfs/dbraw/zinc/80/08/43/179800843.db2.gz NVQLYSLTKUYJJW-UHFFFAOYSA-N 1 0 218.301 2.227 50 30 BEEARO C=CCc1cc(C)ccc1OCC[NH2+]C[C@@H](C)O ZINC000002880276 350221131 /nfs/dbraw/zinc/22/11/31/350221131.db2.gz NZFZXSSPIYVVQY-CYBMUJFWSA-N 1 0 249.354 2.073 50 30 BEEARO CC#CC[NH2+][C@@](C)(COC)c1ccccc1 ZINC000096492202 188017366 /nfs/dbraw/zinc/01/73/66/188017366.db2.gz PECYVDADMYZSGG-AWEZNQCLSA-N 1 0 217.312 2.161 50 30 BEEARO Cc1n[nH]cc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000038011561 188289790 /nfs/dbraw/zinc/28/97/90/188289790.db2.gz QACNKAWJEPQQEY-JTQLQIEISA-N 1 0 240.310 2.441 50 30 BEEARO C=C1[NH+]2CCC(CC2)[C@@]1(O)c1ccccc1 ZINC000000260938 188334059 /nfs/dbraw/zinc/33/40/59/188334059.db2.gz ZZNFAHFZYUQEAO-AWEZNQCLSA-N 1 0 215.296 2.114 50 30 BEEARO C#CC[N+](C)(C)CC#Cc1cccc(Cl)c1 ZINC000000494596 188334876 /nfs/dbraw/zinc/33/48/76/188334876.db2.gz UDVQAKRQQXFNDT-UHFFFAOYSA-N 1 0 232.734 2.401 50 30 BEEARO C=CCc1ccc(OCC[NH2+]CC)c(OC)c1 ZINC000006703465 188407078 /nfs/dbraw/zinc/40/70/78/188407078.db2.gz HVRJECULRJMJDU-UHFFFAOYSA-N 1 0 235.327 2.412 50 30 BEEARO N#CCCC[NH2+][C@H](c1nccs1)C1CC1 ZINC000185426752 181036528 /nfs/dbraw/zinc/03/65/28/181036528.db2.gz HVDLRDFRZZAHQF-JTQLQIEISA-N 1 0 221.329 2.488 50 30 BEEARO N#Cc1c(Cl)cccc1CSCC[NH3+] ZINC000095704904 181073983 /nfs/dbraw/zinc/07/39/83/181073983.db2.gz AMFQAUHBYPURPY-UHFFFAOYSA-N 1 0 226.732 2.404 50 30 BEEARO N#Cc1ccc(C[NH3+])c(C(F)(F)F)c1 ZINC000118478469 181102655 /nfs/dbraw/zinc/10/26/55/181102655.db2.gz QUZPTSQKVWERRT-UHFFFAOYSA-N 1 0 200.163 2.036 50 30 BEEARO C=CC1CCN(C(=O)C(CC)(CC)C[NH3+])CC1 ZINC000161223586 363498995 /nfs/dbraw/zinc/49/89/95/363498995.db2.gz VQYBWHKHIDSNKH-UHFFFAOYSA-N 1 0 238.375 2.176 50 30 BEEARO CC[NH+](CC)CCOc1cccc(/C=N/O)c1 ZINC000011883777 370774973 /nfs/dbraw/zinc/77/49/73/370774973.db2.gz WQLONRITZGHQBX-SDNWHVSQSA-N 1 0 236.315 2.215 50 30 BEEARO CC1(C)C[N@H+](Cc2ccccc2C#N)C[C@]1(C)O ZINC000091595666 369466819 /nfs/dbraw/zinc/46/68/19/369466819.db2.gz RXWSCZRBFXXCKQ-HNNXBMFYSA-N 1 0 244.338 2.151 50 30 BEEARO O=C1CCCC(=O)C1[C@H]1[NH2+]CCc2ccccc21 ZINC000020389226 371277877 /nfs/dbraw/zinc/27/78/77/371277877.db2.gz ICRXRMSBNBVACL-HNNXBMFYSA-N 1 0 243.306 2.439 50 30 BEEARO C#C[C@H]([NH2+][C@H](C)[C@@H]1CCOC1)c1ccccc1 ZINC000383304070 374283520 /nfs/dbraw/zinc/28/35/20/374283520.db2.gz MIWVTMBDOGMGSV-YUELXQCFSA-N 1 0 229.323 2.376 50 30 BEEARO C#C[C@H]([NH2+][C@H](C)[C@H]1CCOC1)c1ccccc1 ZINC000383304069 374284042 /nfs/dbraw/zinc/28/40/42/374284042.db2.gz MIWVTMBDOGMGSV-SNPRPXQTSA-N 1 0 229.323 2.376 50 30 BEEARO CCC[N@@H+]1CC[C@@H](CNc2ccc(C#N)cn2)C1 ZINC000097159670 169206293 /nfs/dbraw/zinc/20/62/93/169206293.db2.gz XEDPOPVLNGWMBN-ZDUSSCGKSA-N 1 0 244.342 2.097 50 30 BEEARO N#Cc1ccc2ncc(C[NH2+]C3CCCC3)n2c1 ZINC000095990049 384776847 /nfs/dbraw/zinc/77/68/47/384776847.db2.gz XWUKEDCPNXSZKN-UHFFFAOYSA-N 1 0 240.310 2.238 50 30 BEEARO CNC(N[C@H](C)c1cccc(OC(C)C)c1)=[NH+]C ZINC000058245855 384993257 /nfs/dbraw/zinc/99/32/57/384993257.db2.gz JFYJHPBJGCGWCB-LLVKDONJSA-N 1 0 249.358 2.330 50 30 BEEARO CC(C)(C)C#CC[NH2+]C[C@H](O)c1ccccc1 ZINC000020654092 385913953 /nfs/dbraw/zinc/91/39/53/385913953.db2.gz BVZPXAPTCMDWJQ-AWEZNQCLSA-N 1 0 231.339 2.359 50 30 BEEARO CCNC(NCc1ccc(Cl)cc1)=[NH+]CC ZINC000066242414 387427413 /nfs/dbraw/zinc/42/74/13/387427413.db2.gz HELSBNXNRPZNHV-UHFFFAOYSA-N 1 0 239.750 2.415 50 30 BEEARO C=C(Cl)C[N@H+](CC(C)(C)O)C(C)C ZINC000096473873 387465125 /nfs/dbraw/zinc/46/51/25/387465125.db2.gz CEBSXZFJDBESQV-UHFFFAOYSA-N 1 0 205.729 2.220 50 30 BEEARO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccoc1 ZINC000089967896 388377959 /nfs/dbraw/zinc/37/79/59/388377959.db2.gz NOFCCKLMPXIQKX-LBPRGKRZSA-N 1 0 249.310 2.170 50 30 BEEARO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc(C#N)nc2)C1 ZINC000195535389 388478074 /nfs/dbraw/zinc/47/80/74/388478074.db2.gz RBVWLEWSMHSXGA-FZMZJTMJSA-N 1 0 244.342 2.238 50 30 BEEARO C=C(Cl)CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000069520478 388418772 /nfs/dbraw/zinc/41/87/72/388418772.db2.gz XNOLKDYRGVZHRN-LBPRGKRZSA-N 1 0 228.767 2.299 50 30 BEEARO Cn1cc([C@@H]2CCC[N@@H+]2CCCCC#N)cn1 ZINC000069808069 388427113 /nfs/dbraw/zinc/42/71/13/388427113.db2.gz NHSVHRAOJKMOGX-ZDUSSCGKSA-N 1 0 232.331 2.251 50 30 BEEARO CCc1nc2ccccc2n1[NH+]=C[C@H]1CCOC1 ZINC000254582727 388837139 /nfs/dbraw/zinc/83/71/39/388837139.db2.gz FFYAKJXESKGKMS-LLVKDONJSA-N 1 0 243.310 2.469 50 30 BEEARO C=CC[N@H+](Cc1cccnc1)C1CCOCC1 ZINC000065382882 166346101 /nfs/dbraw/zinc/34/61/01/166346101.db2.gz DOVJAJCHKNZRGD-UHFFFAOYSA-N 1 0 232.327 2.249 50 30 BEEARO C=CC[N@H+]1CCC[C@@H]1Cn1nc(C)cc1C ZINC000069919355 166356105 /nfs/dbraw/zinc/35/61/05/166356105.db2.gz QSWPROJCRGMVOJ-CYBMUJFWSA-N 1 0 219.332 2.150 50 30 BEEARO CC[NH2+]CC#CCOc1ccc(CC)cc1 ZINC000016622667 170109782 /nfs/dbraw/zinc/10/97/82/170109782.db2.gz DJFWFTBCJJSPML-UHFFFAOYSA-N 1 0 217.312 2.241 50 30 BEEARO C[NH+](C)[C@H](CNc1ccc(F)cc1C#N)C1CC1 ZINC000091482012 172535052 /nfs/dbraw/zinc/53/50/52/172535052.db2.gz LYNIXUWMFVHHTK-CQSZACIVSA-N 1 0 247.317 2.449 50 30 BEEARO COc1ccc(NC2=[NH+]CCCC2)cc1 ZINC000002597839 175049663 /nfs/dbraw/zinc/04/96/63/175049663.db2.gz DJEQMZGICCKMNO-UHFFFAOYSA-N 1 0 204.273 2.499 50 30 BEEARO COc1cccc(C(=O)C[n+]2cccc(C)c2)c1 ZINC000005710705 175242650 /nfs/dbraw/zinc/24/26/50/175242650.db2.gz JYENBHRDQXNPCA-UHFFFAOYSA-N 1 0 242.298 2.174 50 30 BEEARO C=C(C)C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000097048965 491124197 /nfs/dbraw/zinc/12/41/97/491124197.db2.gz MCGJSTVFRAZEFX-ZDUSSCGKSA-N 1 0 211.349 2.483 50 30 BEEARO C=CC[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000097103765 491125105 /nfs/dbraw/zinc/12/51/05/491125105.db2.gz GWMMMICKOVQRIK-UHFFFAOYSA-N 1 0 238.375 2.189 50 30 BEEARO C=CC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000097103763 491125126 /nfs/dbraw/zinc/12/51/26/491125126.db2.gz DALGVJGGVHEDMY-HIFRSBDPSA-N 1 0 245.370 2.068 50 30 BEEARO C#CCn1cc(C[N@H+](C)C[C@@H]2CC=CCC2)cn1 ZINC000092039192 518344683 /nfs/dbraw/zinc/34/46/83/518344683.db2.gz NVUZTHFDIWFRQU-CQSZACIVSA-N 1 0 243.354 2.304 50 30 BEEARO C=CC[NH2+][C@H](c1cccnc1)C1CCOCC1 ZINC000239667223 518960835 /nfs/dbraw/zinc/96/08/35/518960835.db2.gz BPNOFDLXROQJSN-AWEZNQCLSA-N 1 0 232.327 2.325 50 30 BEEARO CCNC(NCc1cc(C)cc(OC)c1)=[NH+]CC ZINC000195544950 521731660 /nfs/dbraw/zinc/73/16/60/521731660.db2.gz GOWSAEKEAWDYTH-UHFFFAOYSA-N 1 0 249.358 2.079 50 30 BEEARO CCNC(NCc1ccc(CC)s1)=[NH+]CC ZINC000252494044 521731681 /nfs/dbraw/zinc/73/16/81/521731681.db2.gz NJLDNQGBYZEEKP-UHFFFAOYSA-N 1 0 239.388 2.386 50 30 BEEARO CC[C@@H](C)NC(=[NH2+])NCc1cccc(C)c1 ZINC000058308734 521899726 /nfs/dbraw/zinc/89/97/26/521899726.db2.gz SIQMOKCPMSHNHK-LLVKDONJSA-N 1 0 219.332 2.198 50 30 BEEARO CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000252480078 522018913 /nfs/dbraw/zinc/01/89/13/522018913.db2.gz BUERJAFMGPFVPK-RFQIPJPRSA-N 1 0 238.375 2.455 50 30 BEEARO CN(C)C=[NH+]c1ccc(Br)cn1 ZINC000254794762 524041937 /nfs/dbraw/zinc/04/19/37/524041937.db2.gz KLPIAUFTPZZJFX-UHFFFAOYSA-N 1 0 228.093 2.066 50 30 BEEARO CN(C)/C=C1\CCC/C(=C\C=C\[NH+](C)C)C1=O ZINC000032650129 641532826 /nfs/dbraw/zinc/53/28/26/641532826.db2.gz FECYBPXTUOJJSM-HTXFNWOKSA-N 1 0 234.343 2.187 50 30 BEEARO C[N@H+](CC#C[C@](C)(O)C1CC1)C1CCCCC1 ZINC000005696826 983850741 /nfs/dbraw/zinc/85/07/41/983850741.db2.gz VEMZWIVQFPJYBU-HNNXBMFYSA-N 1 0 235.371 2.415 50 30 BEEARO CC(=O)O[C@@](C)(C#CC[NH+]1CCCC1)C(C)C ZINC000005384634 970815247 /nfs/dbraw/zinc/81/52/47/970815247.db2.gz CRDATSKIRMKMGS-AWEZNQCLSA-N 1 0 237.343 2.063 50 30 BEEARO C#CC[C@H](CO)[NH2+]Cc1cc(C)c(C)cc1C ZINC000585086416 972123417 /nfs/dbraw/zinc/12/34/17/972123417.db2.gz WITFDTOCBCOSAC-OAHLLOKOSA-N 1 0 231.339 2.086 50 30 BEEARO C#Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1 ZINC000585086730 972123624 /nfs/dbraw/zinc/12/36/24/972123624.db2.gz YXTMJAXTMGNNMU-SWLSCSKDSA-N 1 0 229.323 2.183 50 30 BEEARO [NH3+]CC#CCOc1cccc(C(F)(F)F)c1 ZINC000675007734 960432502 /nfs/dbraw/zinc/43/25/02/960432502.db2.gz LLZSFDXFHBCTMY-UHFFFAOYSA-N 1 0 229.201 2.046 50 30 BEEARO C=CCC(C)(C)C[N@H+]1CC[C@@H](CC(=O)NC)C1 ZINC000820449167 968477000 /nfs/dbraw/zinc/47/70/00/968477000.db2.gz AYIZFNNFCNGJEY-LBPRGKRZSA-N 1 0 238.375 2.047 50 30 BEEARO CC(C)(C)NC(=O)C[n+]1ccc2ccccc2c1 ZINC000004667902 342750249 /nfs/dbraw/zinc/75/02/49/342750249.db2.gz VNTSHPBSQFHOMX-UHFFFAOYSA-O 1 0 243.330 2.042 50 30 BEEARO CC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)COC ZINC000042252115 361977855 /nfs/dbraw/zinc/97/78/55/361977855.db2.gz HFNPPJLQDUNYKP-LBPRGKRZSA-N 1 0 232.327 2.415 50 30 BEEARO c1ccc(CNC(NC2CC2)=[NH+]C2CC2)cc1 ZINC000072271872 343122239 /nfs/dbraw/zinc/12/22/39/343122239.db2.gz QTLBSPBDFPNFKR-UHFFFAOYSA-N 1 0 229.327 2.047 50 30 BEEARO C#CC[C@@H](C)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000078932785 187233504 /nfs/dbraw/zinc/23/35/04/187233504.db2.gz LKCSLHNKWBBVIR-CYBMUJFWSA-N 1 0 239.322 2.374 50 30 BEEARO CSc1ccc(CNC(=[NH2+])NC(C)C)cc1 ZINC000072272521 343127656 /nfs/dbraw/zinc/12/76/56/343127656.db2.gz YJANKHYCDULMJI-UHFFFAOYSA-N 1 0 237.372 2.221 50 30 BEEARO C[NH+]=C(NCC1(c2ccccc2)CC1)NC(C)C ZINC000072283259 343139011 /nfs/dbraw/zinc/13/90/11/343139011.db2.gz HBAIPQWJWFCOKJ-UHFFFAOYSA-N 1 0 245.370 2.292 50 30 BEEARO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccco1 ZINC000089967886 187243525 /nfs/dbraw/zinc/24/35/25/187243525.db2.gz IOBMXATXORJXHO-LBPRGKRZSA-N 1 0 249.310 2.170 50 30 BEEARO Cc1ccc(/C(CC[NH+](C)C)=N/O)cc1 ZINC000016667593 343271168 /nfs/dbraw/zinc/27/11/68/343271168.db2.gz AFDZTRVBNDNEQF-OUKQBFOZSA-N 1 0 206.289 2.125 50 30 BEEARO C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000013613389 343589067 /nfs/dbraw/zinc/58/90/67/343589067.db2.gz WJSCWKSMRWKRDF-UHFFFAOYSA-N 1 0 216.284 2.031 50 30 BEEARO CC(/C=[NH+]/n1cnnc1)=C/c1ccccc1 ZINC000000229093 344650641 /nfs/dbraw/zinc/65/06/41/344650641.db2.gz TUAGATMTKGEPHX-PDAQCIJPSA-N 1 0 212.256 2.216 50 30 BEEARO N#C[C@@H]1C[NH2+]C[C@H]1c1ccccc1Cl ZINC000259673123 344682226 /nfs/dbraw/zinc/68/22/26/344682226.db2.gz JXGRSWBBZMWJMA-PSASIEDQSA-N 1 0 206.676 2.167 50 30 BEEARO C=C(C)C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000130786906 187360452 /nfs/dbraw/zinc/36/04/52/187360452.db2.gz PVLYUZMNYFCIIP-NSHDSACASA-N 1 0 205.305 2.037 50 30 BEEARO C[NH+]=C(NCc1ccc(Cl)cc1)NC1CC1 ZINC000075582777 537929509 /nfs/dbraw/zinc/92/95/09/537929509.db2.gz FGIUTVQEXCAFOZ-UHFFFAOYSA-N 1 0 237.734 2.167 50 30 BEEARO C=C(C)C(=O)OCC[NH+](C(C)C)C(C)C ZINC000002018323 187364366 /nfs/dbraw/zinc/36/43/66/187364366.db2.gz SVYHMICYJHWXIN-UHFFFAOYSA-N 1 0 213.321 2.225 50 30 BEEARO C[C@H]1CCC[N@@H+]1C1CCN(C(C)(C)C#N)CC1 ZINC000195572086 347647903 /nfs/dbraw/zinc/64/79/03/347647903.db2.gz DFCNGWALNZYILR-LBPRGKRZSA-N 1 0 235.375 2.237 50 30 BEEARO C=CCOc1cccc(C[NH2+]C(C)(C)CO)c1 ZINC000002648330 191131257 /nfs/dbraw/zinc/13/12/57/191131257.db2.gz DFLYTWLECLIDBO-UHFFFAOYSA-N 1 0 235.327 2.112 50 30 BEEARO CNC(NCc1ccc(SC)c(C)c1)=[NH+]C ZINC000097227768 187674884 /nfs/dbraw/zinc/67/48/84/187674884.db2.gz PBOJWPRLBGFATR-UHFFFAOYSA-N 1 0 237.372 2.012 50 30 BEEARO C=CCc1ccccc1O[C@@H]1CC[NH2+]C1 ZINC000014632157 187711680 /nfs/dbraw/zinc/71/16/80/187711680.db2.gz GFHIHIZIVDXLJD-GFCCVEGCSA-N 1 0 203.285 2.156 50 30 BEEARO C=C(C)C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000070007023 188047756 /nfs/dbraw/zinc/04/77/56/188047756.db2.gz OPRABFBTTVJBOT-LBPRGKRZSA-N 1 0 205.305 2.133 50 30 BEEARO CC#CC[NH2+][C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000072308128 188288580 /nfs/dbraw/zinc/28/85/80/188288580.db2.gz YBJLULBQTKFDRF-OCCSQVGLSA-N 1 0 223.360 2.177 50 30 BEEARO C#CC[N@H+]1CCC[C@@]2(CCOC(C)(C)C2)C1 ZINC000064227702 188363023 /nfs/dbraw/zinc/36/30/23/188363023.db2.gz ORIYYODJNDTELE-AWEZNQCLSA-N 1 0 221.344 2.291 50 30 BEEARO Fc1ccccc1C[C@@H]1[NH+]2CCC(CC2)[C@@]12CO2 ZINC000001406658 181012982 /nfs/dbraw/zinc/01/29/82/181012982.db2.gz AYSSNEXAHXRWHG-GJZGRUSLSA-N 1 0 247.313 2.231 50 30 BEEARO N#Cc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000033962077 181127557 /nfs/dbraw/zinc/12/75/57/181127557.db2.gz FOITYXBAHNEJDF-UHFFFAOYSA-N 1 0 230.311 2.423 50 30 BEEARO N#Cc1ccc(O[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000012359858 181128662 /nfs/dbraw/zinc/12/86/62/181128662.db2.gz GPGZXKBRTANYCD-LLVKDONJSA-N 1 0 236.702 2.342 50 30 BEEARO N#Cc1ccccc1OC1CCC([NH3+])CC1 ZINC000055143626 181149422 /nfs/dbraw/zinc/14/94/22/181149422.db2.gz LTEMWCFRFHNACF-UHFFFAOYSA-N 1 0 216.284 2.207 50 30 BEEARO [NH2+]=C(Nc1ccccc1)N1CCCCC1 ZINC000052045279 181179710 /nfs/dbraw/zinc/17/97/10/181179710.db2.gz TZEFIKHIRATNEI-UHFFFAOYSA-N 1 0 203.289 2.119 50 30 BEEARO CC[NH+](CC)CC#C[C@@H](O)c1ccccc1 ZINC000002493676 355922548 /nfs/dbraw/zinc/92/25/48/355922548.db2.gz IUBSFDOHSKQPQS-CQSZACIVSA-N 1 0 217.312 2.065 50 30 BEEARO CC(CC12CC3CC(CC(C3)C1)C2)N=NC(N)=[NH2+] ZINC000252517489 363536871 /nfs/dbraw/zinc/53/68/71/363536871.db2.gz JXOQITZEESQKSC-UHFFFAOYSA-N 1 0 248.374 2.452 50 30 BEEARO C=C(Cl)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000098018529 538715634 /nfs/dbraw/zinc/71/56/34/538715634.db2.gz OFHVCSRHKIZOJZ-MNOVXSKESA-N 1 0 216.756 2.153 50 30 BEEARO CN(C)C(=[NH+]Cc1cc2ccccc2o1)N(C)C ZINC000104175267 358208785 /nfs/dbraw/zinc/20/87/85/358208785.db2.gz YVPXDYKPBSKCPI-UHFFFAOYSA-N 1 0 245.326 2.412 50 30 BEEARO C/C=C/C[N+](C)(C)CC(=O)OCc1ccccc1 ZINC000001834506 358958724 /nfs/dbraw/zinc/95/87/24/358958724.db2.gz ZIQATPGVAMLUDH-SNAWJCMRSA-N 1 0 248.346 2.382 50 30 BEEARO C=C1[C@](O)(c2ccccc2)C2CC[N+]1(C)CC2 ZINC000000260944 359620364 /nfs/dbraw/zinc/62/03/64/359620364.db2.gz CWWRJYICXIWNOZ-PCKAHOCUSA-N 1 0 230.331 2.258 50 30 biogenic BEEARO Cc1ccccc1C1(CNC(=[NH2+])NC2CC2)CC1 ZINC000066246760 368335026 /nfs/dbraw/zinc/33/50/26/368335026.db2.gz ZPBODTCKXDJANO-UHFFFAOYSA-N 1 0 243.354 2.093 50 30 BEEARO C=CCCCCNC(=[NH2+])N1CCCCC1 ZINC000225385811 370471052 /nfs/dbraw/zinc/47/10/52/370471052.db2.gz IHXWDFQDBGNXKZ-UHFFFAOYSA-N 1 0 209.337 2.143 50 30 BEEARO CCCCCCCC(=O)OCC[NH+](C)C ZINC000095740127 371339140 /nfs/dbraw/zinc/33/91/40/371339140.db2.gz RBLJYVBVMVTWKL-UHFFFAOYSA-N 1 0 215.337 2.452 50 30 BEEARO CC[N@@H+]1CCCC[C@@H]1CNc1cc(C#N)ccn1 ZINC000283758173 371511405 /nfs/dbraw/zinc/51/14/05/371511405.db2.gz MKXUPPFQWXYBLT-CYBMUJFWSA-N 1 0 244.342 2.240 50 30 BEEARO C=CCNC(=[NH2+])Nc1ccc(OC(C)C)cc1 ZINC000069514459 373342196 /nfs/dbraw/zinc/34/21/96/373342196.db2.gz VYKHLWQKIFZWFD-UHFFFAOYSA-N 1 0 233.315 2.386 50 30 BEEARO CCC[N@@H+]1CC[C@@H](CNc2ccc(C#N)nc2)C1 ZINC000091457867 169206161 /nfs/dbraw/zinc/20/61/61/169206161.db2.gz AXLIDQIYGJLBSE-LBPRGKRZSA-N 1 0 244.342 2.097 50 30 BEEARO CCC[N@@H+]1CC[C@H](CNc2ccc(C#N)nc2)C1 ZINC000091457865 169208320 /nfs/dbraw/zinc/20/83/20/169208320.db2.gz AXLIDQIYGJLBSE-GFCCVEGCSA-N 1 0 244.342 2.097 50 30 BEEARO CCC[N@@H+]1CC[C@H](CNc2ccc(C#N)cn2)C1 ZINC000097159669 169209205 /nfs/dbraw/zinc/20/92/05/169209205.db2.gz XEDPOPVLNGWMBN-CYBMUJFWSA-N 1 0 244.342 2.097 50 30 BEEARO C=C(C)C[N@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000268191100 384054879 /nfs/dbraw/zinc/05/48/79/384054879.db2.gz POWRJAUUGHWUME-GFCCVEGCSA-N 1 0 232.327 2.111 50 30 BEEARO Cc1sc(/[NH+]=C/N(C)C)c(C#N)c1C ZINC000100574297 384648303 /nfs/dbraw/zinc/64/83/03/384648303.db2.gz YVVFRWHFZXGSBV-WUXMJOGZSA-N 1 0 207.302 2.458 50 30 BEEARO C=CC[NH2+][C@@H](C)CC(=O)N(C)c1ccccc1 ZINC000130669901 386176366 /nfs/dbraw/zinc/17/63/66/386176366.db2.gz CFGBSHBZPKQQIJ-LBPRGKRZSA-N 1 0 232.327 2.204 50 30 BEEARO C=C(C)C[N@@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000053442701 387029113 /nfs/dbraw/zinc/02/91/13/387029113.db2.gz RPGYTAICPBVMFX-UHFFFAOYSA-N 1 0 237.299 2.383 50 30 BEEARO C=C1CCC[N@@H+](Cc2c(C)noc2C)C1 ZINC000575607142 387394375 /nfs/dbraw/zinc/39/43/75/387394375.db2.gz VQMPTVDMGLFGNW-UHFFFAOYSA-N 1 0 206.289 2.443 50 30 BEEARO C=CC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000006650868 387594205 /nfs/dbraw/zinc/59/42/05/387594205.db2.gz KJTGKHZCYZIZLS-UHFFFAOYSA-N 1 0 229.327 2.312 50 30 BEEARO N#CCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000065605763 388138947 /nfs/dbraw/zinc/13/89/47/388138947.db2.gz ZDQRMIXOMTUPAN-CQSZACIVSA-N 1 0 235.375 2.098 50 30 BEEARO C[C@]1([N+](=O)Cc2ccc(O)cc2)CCCCC1=O ZINC000002294784 388593431 /nfs/dbraw/zinc/59/34/31/388593431.db2.gz FQEUWWZEBLGSTO-QTNMRXCUSA-N 1 0 247.294 2.223 50 30 BEEARO Cc1csc[n+]1CC(=O)c1ccc(C#N)cc1 ZINC000253470596 388598626 /nfs/dbraw/zinc/59/86/26/388598626.db2.gz MMKQIVVCSYNSQR-UHFFFAOYSA-N 1 0 243.311 2.099 50 30 BEEARO CC(=O)C[n+]1cc2ccccc2cc1C ZINC000002276022 388583167 /nfs/dbraw/zinc/58/31/67/388583167.db2.gz HAEPDCLRCNDBIJ-UHFFFAOYSA-N 1 0 200.261 2.025 50 30 BEEARO C=C(C)COC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000408525624 388643801 /nfs/dbraw/zinc/64/38/01/388643801.db2.gz KLQKZOCVUATWJA-NSHDSACASA-N 1 0 213.321 2.117 50 30 BEEARO CCNC(NCc1ccc(C)cc1C)=[NH+]CC ZINC000066243589 388654844 /nfs/dbraw/zinc/65/48/44/388654844.db2.gz OINPEBKKRBXBEH-UHFFFAOYSA-N 1 0 233.359 2.378 50 30 BEEARO Cn1c(-c2ccc(C#N)cc2)c[n+]2ccccc12 ZINC000012341494 388717360 /nfs/dbraw/zinc/71/73/60/388717360.db2.gz OEKSSEBOVDUVMM-UHFFFAOYSA-N 1 0 234.282 2.302 50 30 BEEARO N#CC[C@@H](C1CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000095996066 388801238 /nfs/dbraw/zinc/80/12/38/388801238.db2.gz WJQXSBRRNZYITM-HIFRSBDPSA-N 1 0 247.386 2.096 50 30 BEEARO C=C(C)C[NH2+][C@H](c1nnc2n1CCC2)C(C)C ZINC000095941296 388791539 /nfs/dbraw/zinc/79/15/39/388791539.db2.gz WCGCXDOCIJMKPA-LBPRGKRZSA-N 1 0 234.347 2.087 50 30 BEEARO C#CC[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000096424401 166190405 /nfs/dbraw/zinc/19/04/05/166190405.db2.gz LDJRBLHXUNLBCW-GFCCVEGCSA-N 1 0 202.301 2.310 50 30 BEEARO C#CC[C@H](C)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000078932777 166204720 /nfs/dbraw/zinc/20/47/20/166204720.db2.gz LKCSLHNKWBBVIR-ZDUSSCGKSA-N 1 0 239.322 2.374 50 30 BEEARO C(#Cc1ccccc1)C[NH2+]Cc1cccnc1 ZINC000019871714 166225021 /nfs/dbraw/zinc/22/50/21/166225021.db2.gz CUJIVBZZHOILGO-UHFFFAOYSA-N 1 0 222.291 2.223 50 30 BEEARO C=CCC[C@@](C)(O)C#CC[NH+](CC)CC ZINC000002469383 166299304 /nfs/dbraw/zinc/29/93/04/166299304.db2.gz SZAIQQIEAYFDEU-CYBMUJFWSA-N 1 0 209.333 2.049 50 30 BEEARO C=CCC[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C ZINC000195567051 166303570 /nfs/dbraw/zinc/30/35/70/166303570.db2.gz UCHFAPPOLLSUKR-AVGNSLFASA-N 1 0 211.349 2.482 50 30 BEEARO C=CC[N@@H+](C)Cc1ccc(OC)c(F)c1 ZINC000048343582 166324652 /nfs/dbraw/zinc/32/46/52/166324652.db2.gz FASVFXYGQDEWGT-UHFFFAOYSA-N 1 0 209.264 2.452 50 30 BEEARO C=CCN1CCC[N@H+](Cc2cccs2)CC1 ZINC000048060091 166355286 /nfs/dbraw/zinc/35/52/86/166355286.db2.gz HQQSLQRSIYFUCJ-UHFFFAOYSA-N 1 0 236.384 2.442 50 30 BEEARO C=CC[NH2+]CCOc1ccc(C(C)=O)cc1 ZINC000004841573 166399073 /nfs/dbraw/zinc/39/90/73/166399073.db2.gz NRRPZPYTIADCTL-UHFFFAOYSA-N 1 0 219.284 2.044 50 30 BEEARO C=CC[NH2+]CC#CCOc1ccc(C)cc1 ZINC000016624060 166399360 /nfs/dbraw/zinc/39/93/60/166399360.db2.gz YYWXXVZPFQZDBO-UHFFFAOYSA-N 1 0 215.296 2.153 50 30 BEEARO CC[NH+](CC)CCOc1ccc(C#N)cc1 ZINC000001588621 169783008 /nfs/dbraw/zinc/78/30/08/169783008.db2.gz JRRGTFWXJNELCC-UHFFFAOYSA-N 1 0 218.300 2.279 50 30 BEEARO C=C(Cl)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000046092754 411180020 /nfs/dbraw/zinc/18/00/20/411180020.db2.gz KPIMPCYPEUDOMT-JTQLQIEISA-N 1 0 215.724 2.240 50 30 BEEARO CCNC(N[C@@H]1C[C@@H]1c1ccccc1)=[NH+]CC ZINC000058184957 167862332 /nfs/dbraw/zinc/86/23/32/167862332.db2.gz LSJSLHYNLJYIMM-CHWSQXEVSA-N 1 0 231.343 2.118 50 30 BEEARO CCNC(=[NH2+])N(C)CC1CCC(C)CC1 ZINC000097021786 167862350 /nfs/dbraw/zinc/86/23/50/167862350.db2.gz LFEPJMQMWDIUAE-UHFFFAOYSA-N 1 0 211.353 2.079 50 30 BEEARO CC[NH2+]CC#CCOc1ccc(Cl)cc1 ZINC000016624091 170109466 /nfs/dbraw/zinc/10/94/66/170109466.db2.gz DXOVRWIZBHMLSH-UHFFFAOYSA-N 1 0 223.703 2.332 50 30 BEEARO C[N@@H+]1CCc2c(C#N)c(Cl)nc(Cl)c2C1 ZINC000020840628 173166993 /nfs/dbraw/zinc/16/69/93/173166993.db2.gz LFIDGHPVULHBNN-UHFFFAOYSA-N 1 0 242.109 2.248 50 30 BEEARO CCOc1ccccc1C[NH+]=C(N(C)C)N(C)C ZINC000252487369 521485990 /nfs/dbraw/zinc/48/59/90/521485990.db2.gz HVHHSROZNAFJHC-UHFFFAOYSA-N 1 0 249.358 2.065 50 30 BEEARO C#C[C@H](C)[N@@H+](C)Cc1cc(OC)cc(OC)c1 ZINC000241630902 518351714 /nfs/dbraw/zinc/35/17/14/518351714.db2.gz PMHHAPKSWZXUIV-NSHDSACASA-N 1 0 233.311 2.157 50 30 BEEARO C=CCc1cc(C)ccc1OCC[NH2+]C[C@H](C)O ZINC000002880277 534413542 /nfs/dbraw/zinc/41/35/42/534413542.db2.gz NZFZXSSPIYVVQY-ZDUSSCGKSA-N 1 0 249.354 2.073 50 30 BEEARO CC(C)[C@@H](CNC(=[NH2+])N(C)C)Cc1ccccc1 ZINC000189083091 519792688 /nfs/dbraw/zinc/79/26/88/519792688.db2.gz DOASKIBNIJBHDL-CQSZACIVSA-N 1 0 247.386 2.378 50 30 BEEARO CCN(CC[NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC000071854220 521079126 /nfs/dbraw/zinc/07/91/26/521079126.db2.gz WUPBSUMDYBRFQH-UHFFFAOYSA-N 1 0 243.354 2.132 50 30 BEEARO CO[C@H](C)CNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000189389866 523849739 /nfs/dbraw/zinc/84/97/39/523849739.db2.gz VJMBGCZPXARWIR-LLVKDONJSA-N 1 0 235.331 2.065 50 30 BEEARO CC[NH+]=C(NCc1ncccc1C)N[C@H](C)CC ZINC000078971253 643174483 /nfs/dbraw/zinc/17/44/83/643174483.db2.gz XECDQBCBSMHGBG-GFCCVEGCSA-N 1 0 248.374 2.244 50 30 BEEARO CC[C@@H]1C=CC[N@@H+]1Cc1cc(C#CCO)cs1 ZINC000952969759 644447102 /nfs/dbraw/zinc/44/71/02/644447102.db2.gz BOLXFFUCDIDSQK-CYBMUJFWSA-N 1 0 247.363 2.242 50 30 BEEARO C=CCNC(NCc1ncccc1C)=[NH+]CCC ZINC000089948064 644573092 /nfs/dbraw/zinc/57/30/92/644573092.db2.gz BDPSICZGNDVINT-UHFFFAOYSA-N 1 0 246.358 2.021 50 30 BEEARO CCNC(N[C@H](C)c1cc(C)ccc1OC)=[NH+]C ZINC000095397691 644748790 /nfs/dbraw/zinc/74/87/90/644748790.db2.gz LDBOSTLIHSBLDO-LLVKDONJSA-N 1 0 249.358 2.250 50 30 BEEARO C#CCC[C@H](O)C[NH2+][C@H](C)Cc1ccccc1F ZINC000717863033 712639176 /nfs/dbraw/zinc/63/91/76/712639176.db2.gz ZWSSZVHVIWXVFL-OCCSQVGLSA-N 1 0 249.329 2.121 50 30 BEEARO CC(C)(C)[N@@H+]1CC[C@@H](Nc2cc(C#N)ccn2)C1 ZINC000693852380 959434998 /nfs/dbraw/zinc/43/49/98/959434998.db2.gz LFIRTCAJNXFVBM-GFCCVEGCSA-N 1 0 244.342 2.238 50 30 BEEARO CC(C)[N@@H+]1CCC[C@@H]1CNc1cc(C#N)ccn1 ZINC000826796095 968677692 /nfs/dbraw/zinc/67/76/92/968677692.db2.gz IGOYBRUJDVXEEW-CYBMUJFWSA-N 1 0 244.342 2.238 50 30 BEEARO C[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)N1CCCC1 ZINC000952877778 974055370 /nfs/dbraw/zinc/05/53/70/974055370.db2.gz VLRGCKHEPJDIDZ-MCIONIFRSA-N 1 0 235.375 2.143 50 30 BEEARO C[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)N1CCCC1 ZINC000952877780 974057630 /nfs/dbraw/zinc/05/76/30/974057630.db2.gz VLRGCKHEPJDIDZ-RDBSUJKOSA-N 1 0 235.375 2.143 50 30 BEEARO C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000128950303 136227052 /nfs/dbraw/zinc/22/70/52/136227052.db2.gz XXZDASLPAMGTDW-UONOGXRCSA-N 1 0 249.358 2.264 50 30 BEEARO C=Cn1cc[n+](CC(=O)c2ccc(C)cc2)c1 ZINC000002939443 342728702 /nfs/dbraw/zinc/72/87/02/342728702.db2.gz NDDFSCVPXOKXNN-UHFFFAOYSA-N 1 0 227.287 2.067 50 30 BEEARO C[NH+]1CCC(N=Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000006792191 342783371 /nfs/dbraw/zinc/78/33/71/342783371.db2.gz PPNNVFREPFGSAC-UHFFFAOYSA-N 1 0 248.286 2.088 50 30 BEEARO c1ccc(CNC(=[NH+]C2CC2)N2CCCC2)cc1 ZINC000072271879 343122289 /nfs/dbraw/zinc/12/22/89/343122289.db2.gz DMBIRCXRDXDAJI-UHFFFAOYSA-N 1 0 243.354 2.390 50 30 BEEARO C[C@H]1C[C@H]1NC(=[NH2+])Nc1ccc(F)cc1F ZINC000075583772 537928234 /nfs/dbraw/zinc/92/82/34/537928234.db2.gz PMQKRTQDHLDOHL-QUBYGPBYSA-N 1 0 225.242 2.100 50 30 BEEARO C=CCC[C@H](O)C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190557964 345981401 /nfs/dbraw/zinc/98/14/01/345981401.db2.gz DOXIZNPEIRTFOS-LBPRGKRZSA-N 1 0 241.375 2.203 50 30 BEEARO CCC[C@H](C#CC[NH+](CC)CC)OC(C)=O ZINC000005597679 187363762 /nfs/dbraw/zinc/36/37/62/187363762.db2.gz NLGUSTWXEYDYFT-CYBMUJFWSA-N 1 0 225.332 2.063 50 30 BEEARO Cc1cccc(C)c1NC(=O)C[n+]1ccccc1 ZINC000002634425 179041010 /nfs/dbraw/zinc/04/10/10/179041010.db2.gz UHWXEHREDNUDIT-UHFFFAOYSA-O 1 0 241.314 2.230 50 30 BEEARO Cc1ccccc1C(=O)C[n+]1ccccc1 ZINC000002029237 179245745 /nfs/dbraw/zinc/24/57/45/179245745.db2.gz KJYCOVVLYDNWSR-UHFFFAOYSA-N 1 0 212.272 2.165 50 30 BEEARO Cc1nn(C)c(C)c1[C@@H]1CCCN1CCC#N ZINC000071877050 180347031 /nfs/dbraw/zinc/34/70/31/180347031.db2.gz NZHIBVMTNMDZOZ-LBPRGKRZSA-N 1 0 232.331 2.088 50 30 BEEARO CC[NH+](CC)CC#CC1(O)CCCCC1 ZINC000004898696 191120334 /nfs/dbraw/zinc/12/03/34/191120334.db2.gz KMMFTPDVDFWYMU-UHFFFAOYSA-N 1 0 209.333 2.027 50 30 BEEARO C=CC[N@@H+](CCO)Cc1cc(F)ccc1C ZINC000163296690 166340639 /nfs/dbraw/zinc/34/06/39/166340639.db2.gz DMPAVIQTOGMAPX-UHFFFAOYSA-N 1 0 223.291 2.114 50 30 BEEARO CCCCCCC[NH2+]CCC(=O)OC ZINC000100016227 187629837 /nfs/dbraw/zinc/62/98/37/187629837.db2.gz HCHXNCFKTWGXNH-UHFFFAOYSA-N 1 0 201.310 2.110 50 30 BEEARO COc1ccc(OCC#CC[NH2+]C(C)(C)C)cc1 ZINC000002838844 188009210 /nfs/dbraw/zinc/00/92/10/188009210.db2.gz LWZCTGITCKYSHH-UHFFFAOYSA-N 1 0 247.338 2.466 50 30 BEEARO C=CCOc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000006667477 188052206 /nfs/dbraw/zinc/05/22/06/188052206.db2.gz WVTSGTRVBKRDJR-CQSZACIVSA-N 1 0 247.338 2.208 50 30 BEEARO N#CCCCC[N@@H+]1CCCC[C@H]1Cn1cccn1 ZINC000071875305 188286979 /nfs/dbraw/zinc/28/69/79/188286979.db2.gz FULADQYOPFTRDU-AWEZNQCLSA-N 1 0 246.358 2.431 50 30 BEEARO C=C(Cl)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000098018527 538114815 /nfs/dbraw/zinc/11/48/15/538114815.db2.gz OFHVCSRHKIZOJZ-GHMZBOCLSA-N 1 0 216.756 2.153 50 30 BEEARO CC(C)NC(=[NH2+])NCc1cccc2cccnc21 ZINC000095948354 188321722 /nfs/dbraw/zinc/32/17/22/188321722.db2.gz HXGUFKFQZMDJFX-UHFFFAOYSA-N 1 0 242.326 2.048 50 30 BEEARO C=CCc1cc(C)ccc1OCC[NH2+]CCOC ZINC000003001135 188357183 /nfs/dbraw/zinc/35/71/83/188357183.db2.gz WVXZQMOJEWAUIM-UHFFFAOYSA-N 1 0 249.354 2.338 50 30 BEEARO CC(=NNC(N)=[NH2+])c1ccc(Cl)cc1Cl ZINC000252447246 363254605 /nfs/dbraw/zinc/25/46/05/363254605.db2.gz HTTXEKCZUKHDEX-UHFFFAOYSA-N 1 0 245.113 2.200 50 30 BEEARO N#CC1(c2ccnc3ccccc32)CC[NH2+]CC1 ZINC000035287541 181031667 /nfs/dbraw/zinc/03/16/67/181031667.db2.gz RPSYMGLTJKBUON-UHFFFAOYSA-N 1 0 237.306 2.380 50 30 BEEARO N#CCCC[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000195557837 181036578 /nfs/dbraw/zinc/03/65/78/181036578.db2.gz SWCFMKDBEQJEOQ-GFCCVEGCSA-N 1 0 238.718 2.267 50 30 BEEARO N#Cc1ccc(C[N@@H+]2CCCSCC2)o1 ZINC000097113631 181103960 /nfs/dbraw/zinc/10/39/60/181103960.db2.gz DNBYNGYFRDVWIL-UHFFFAOYSA-N 1 0 222.313 2.090 50 30 BEEARO N#Cc1ccc2c(c1)[nH]cc2C1=CC[NH2+]CC1 ZINC000169677491 181131329 /nfs/dbraw/zinc/13/13/29/181131329.db2.gz MFPFBDQUJAEQPV-UHFFFAOYSA-N 1 0 223.279 2.416 50 30 BEEARO N#Cc1ccccc1OCC[NH+]1CCCCC1 ZINC000004870201 181149082 /nfs/dbraw/zinc/14/90/82/181149082.db2.gz WJQAKDHKXKDLHL-UHFFFAOYSA-N 1 0 230.311 2.423 50 30 BEEARO [NH2+]=C(NC1CCCC1)SCc1ccno1 ZINC000096997560 181180467 /nfs/dbraw/zinc/18/04/67/181180467.db2.gz LXCRKTUAUDLFHD-UHFFFAOYSA-N 1 0 225.317 2.165 50 30 BEEARO C[NH+]1CCC(N=Nc2ccccc2)CC1 ZINC000008091677 355435561 /nfs/dbraw/zinc/43/55/61/355435561.db2.gz FYIOUNOYLRMDBE-UHFFFAOYSA-N 1 0 203.289 2.180 50 30 BEEARO C#CC[n+]1c2ccccc2n2nc(C)c(C)cc21 ZINC000075251515 358098727 /nfs/dbraw/zinc/09/87/27/358098727.db2.gz MOBQPPDDDRWCNR-UHFFFAOYSA-N 1 0 236.298 2.025 50 30 BEEARO C=C(C)C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000181515511 541363655 /nfs/dbraw/zinc/36/36/55/541363655.db2.gz BJXIOTGJQMMGGK-LBPRGKRZSA-N 1 0 242.326 2.494 50 30 BEEARO CN(C)C=[NH+]c1sc2c(c1C#N)CCC2 ZINC000253370060 368939889 /nfs/dbraw/zinc/93/98/89/368939889.db2.gz LMUYFGDTLHZRRW-UHFFFAOYSA-N 1 0 219.313 2.330 50 30 BEEARO CN(C)C(=[NH2+])NCc1cccc(C(F)F)c1 ZINC000225435922 370629578 /nfs/dbraw/zinc/62/95/78/370629578.db2.gz WWRWUOCCDSGAFC-UHFFFAOYSA-N 1 0 227.258 2.001 50 30 BEEARO C=C[C@@H]1CCCC[N@H+]1CCc1cnn(CC)c1 ZINC000390834768 371240739 /nfs/dbraw/zinc/24/07/39/371240739.db2.gz XZLKRIFNBSZCAB-CQSZACIVSA-N 1 0 233.359 2.486 50 30 BEEARO CC[N@@H+]1CCCC[C@H]1CNc1cc(C#N)ccn1 ZINC000283758174 371511511 /nfs/dbraw/zinc/51/15/11/371511511.db2.gz MKXUPPFQWXYBLT-ZDUSSCGKSA-N 1 0 244.342 2.240 50 30 BEEARO CCC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000047719419 169193056 /nfs/dbraw/zinc/19/30/56/169193056.db2.gz VVBWGGXCOGAUKX-UHFFFAOYSA-N 1 0 243.354 2.480 50 30 BEEARO c1ccc(C[NH+]2CCC3(CO3)CC2)cc1 ZINC000001563312 183396312 /nfs/dbraw/zinc/39/63/12/183396312.db2.gz KJKHFQBTYMJFNP-UHFFFAOYSA-N 1 0 203.285 2.051 50 30 BEEARO O=C1c2ccccc2CC[C@@H]1[n+]1ccccc1 ZINC000001666380 383918023 /nfs/dbraw/zinc/91/80/23/383918023.db2.gz YLFXKEWAYUQTEZ-AWEZNQCLSA-N 1 0 224.283 2.344 50 30 BEEARO C[NH+](C)[C@H]1CCC[C@H](Nc2cc(C#N)ccn2)C1 ZINC000283915012 383931785 /nfs/dbraw/zinc/93/17/85/383931785.db2.gz WSFGWWCASQFROQ-STQMWFEESA-N 1 0 244.342 2.238 50 30 BEEARO Cc1cc(C)c[n+](CC(=O)c2ccccc2)c1 ZINC000002842466 383989690 /nfs/dbraw/zinc/98/96/90/383989690.db2.gz AVKBLWDAIRGOHC-UHFFFAOYSA-N 1 0 226.299 2.474 50 30 BEEARO O=C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038866805 384097237 /nfs/dbraw/zinc/09/72/37/384097237.db2.gz VXLGEGLTEVHHOC-ZDUSSCGKSA-N 1 0 203.285 2.098 50 30 BEEARO O/N=C(\c1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC000100034435 384610329 /nfs/dbraw/zinc/61/03/29/384610329.db2.gz DAQWROFRHWHKFE-VBKFSLOCSA-N 1 0 240.253 2.143 50 30 BEEARO C=C(C)C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000130793537 385059877 /nfs/dbraw/zinc/05/98/77/385059877.db2.gz PERBRHAZTXHHKH-NSHDSACASA-N 1 0 205.301 2.406 50 30 BEEARO CC#CC[NH2+][C@](C)(COC)c1ccccc1 ZINC000096492203 385230834 /nfs/dbraw/zinc/23/08/34/385230834.db2.gz PECYVDADMYZSGG-CQSZACIVSA-N 1 0 217.312 2.161 50 30 BEEARO C=CC[C@@]1(CO)CCC[N@H+](Cc2ccco2)C1 ZINC000091986871 386317811 /nfs/dbraw/zinc/31/78/11/386317811.db2.gz CDHQCWAIWMLQBE-CQSZACIVSA-N 1 0 235.327 2.430 50 30 BEEARO C=CCOc1ccc(C[N@@H+](C)CCOC)cc1 ZINC000053419750 386986392 /nfs/dbraw/zinc/98/63/92/386986392.db2.gz PDXHTFOURCLWBV-UHFFFAOYSA-N 1 0 235.327 2.330 50 30 BEEARO COC[C@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000381734820 388436098 /nfs/dbraw/zinc/43/60/98/388436098.db2.gz OCWMIRHEJKDWJR-VIFPVBQESA-N 1 0 238.718 2.336 50 30 BEEARO C=C(C)C[NH2+][C@@H](c1nnc2n1CCC2)C(C)C ZINC000095941297 388792239 /nfs/dbraw/zinc/79/22/39/388792239.db2.gz WCGCXDOCIJMKPA-GFCCVEGCSA-N 1 0 234.347 2.087 50 30 BEEARO C=CCC[C@@H](CC)[NH2+]Cc1ccnn1C ZINC000095420183 166295925 /nfs/dbraw/zinc/29/59/25/166295925.db2.gz KXLYCYKGWIRJAM-LLVKDONJSA-N 1 0 207.321 2.255 50 30 BEEARO C=CCC[C@@](C)(C#CC[NH+]1CCCC1)OC(C)=O ZINC000005383279 166300459 /nfs/dbraw/zinc/30/04/59/166300459.db2.gz VYBBLKOOGMOBMF-HNNXBMFYSA-N 1 0 249.354 2.374 50 30 BEEARO C=CCN(CC=C)CC[C@H]1CCCC[NH2+]1 ZINC000042783334 166333773 /nfs/dbraw/zinc/33/37/73/166333773.db2.gz FKKMSVQMLAMCFV-CYBMUJFWSA-N 1 0 208.349 2.193 50 30 BEEARO C=CC[NH+](CC=C)C[C@H](O)COc1ccccc1 ZINC000002638977 166335341 /nfs/dbraw/zinc/33/53/41/166335341.db2.gz JRGMLYQFVCUDCG-AWEZNQCLSA-N 1 0 247.338 2.100 50 30 BEEARO C=CCN1CCC([NH+]2CCCCC2)CC1 ZINC000052003415 166352551 /nfs/dbraw/zinc/35/25/51/166352551.db2.gz KXYMUBRXZXKHJX-UHFFFAOYSA-N 1 0 208.349 2.123 50 30 BEEARO C=CCN1c2cc(C)c(C)cc2N2CC[NH+]=C12 ZINC000030822786 166353974 /nfs/dbraw/zinc/35/39/74/166353974.db2.gz TVHRBLRIONCUOY-UHFFFAOYSA-N 1 0 227.311 2.485 50 30 BEEARO C=CC[NH2+]CC#CCOc1ccc(CC)cc1 ZINC000016622610 166399177 /nfs/dbraw/zinc/39/91/77/166399177.db2.gz ZKZZXSZWBMLTOQ-UHFFFAOYSA-N 1 0 229.323 2.407 50 30 BEEARO CC[NH+](CC)CCOc1ccccc1C#N ZINC000004868419 169782694 /nfs/dbraw/zinc/78/26/94/169782694.db2.gz ZCAWHGPPVVVHPC-UHFFFAOYSA-N 1 0 218.300 2.279 50 30 BEEARO C[C@H](CC#N)[NH+]1CCC(C2CCOCC2)CC1 ZINC000104314235 410932473 /nfs/dbraw/zinc/93/24/73/410932473.db2.gz RUPYSIYOSHHHSK-GFCCVEGCSA-N 1 0 236.359 2.427 50 30 BEEARO C=C(Cl)CN1CC[NH+](CCC(C)C)CC1 ZINC000047869907 411167389 /nfs/dbraw/zinc/16/73/89/411167389.db2.gz BQZPCAAFTZMGSY-UHFFFAOYSA-N 1 0 230.783 2.403 50 30 BEEARO CC[C@@](C)(C#CC[NH+]1CCCCC1)OC(C)=O ZINC000000194678 171162523 /nfs/dbraw/zinc/16/25/23/171162523.db2.gz GWVKVVKUKYVACS-AWEZNQCLSA-N 1 0 237.343 2.208 50 30 BEEARO CN(C)/C=C\C(=O)c1ccc(-n2ccnc2)cc1 ZINC000100255686 172351420 /nfs/dbraw/zinc/35/14/20/172351420.db2.gz FXWWXRGTJRQUCF-CLFYSBASSA-N 1 0 241.294 2.130 50 30 BEEARO C[N@@H+]1CCc2c(C#N)c(-n3cccc3)sc2C1 ZINC000020863612 173170690 /nfs/dbraw/zinc/17/06/90/173170690.db2.gz QMVNLYHFRUNWMJ-UHFFFAOYSA-N 1 0 243.335 2.398 50 30 BEEARO C[NH2+]CC#CCOc1c(C)cc(C)cc1C ZINC000058159029 173324245 /nfs/dbraw/zinc/32/42/45/173324245.db2.gz KWVUCQOOFRDDNY-UHFFFAOYSA-N 1 0 217.312 2.213 50 30 BEEARO C[C@@H]1CCCCN1C(=[NH2+])NC(=O)c1ccccc1 ZINC000006930275 176066635 /nfs/dbraw/zinc/06/66/35/176066635.db2.gz FWYFCNULTVYKGY-LLVKDONJSA-N 1 0 245.326 2.016 50 30 BEEARO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000069809619 177014707 /nfs/dbraw/zinc/01/47/07/177014707.db2.gz GFSWFQKYQRKRQJ-SWLSCSKDSA-N 1 0 244.338 2.294 50 30 BEEARO C[C@H]1CCCCN1C(=[NH2+])NC(=O)c1ccccc1 ZINC000006932508 177071958 /nfs/dbraw/zinc/07/19/58/177071958.db2.gz FWYFCNULTVYKGY-NSHDSACASA-N 1 0 245.326 2.016 50 30 BEEARO C[C@H]1C[NH+]=C(NCc2ccccc2)S1 ZINC000004785783 177278814 /nfs/dbraw/zinc/27/88/14/177278814.db2.gz TUSOLQRZIXORLP-VIFPVBQESA-N 1 0 206.314 2.268 50 30 BEEARO Cc1nc(N2CCc3c[nH+]ccc32)ccc1C#N ZINC000488127391 225350080 /nfs/dbraw/zinc/35/00/80/225350080.db2.gz PRMGCYGSVDGMAF-UHFFFAOYSA-N 1 0 236.278 2.351 50 30 BEEARO C[C@@H](O)[C@@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000097162230 490326001 /nfs/dbraw/zinc/32/60/01/490326001.db2.gz FTCRBVXASDEVFN-CHWSQXEVSA-N 1 0 238.375 2.409 50 30 BEEARO C#C[C@H](C)NC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000187048683 518352860 /nfs/dbraw/zinc/35/28/60/518352860.db2.gz RFSMQDDWXQFOCS-NSHDSACASA-N 1 0 215.300 2.052 50 30 BEEARO C#Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2O)cc1 ZINC000253430338 518359848 /nfs/dbraw/zinc/35/98/48/518359848.db2.gz QHVFNCQWGGNMKM-LSDHHAIUSA-N 1 0 229.323 2.061 50 30 BEEARO CNC(NCCC1=CCCCCC1)=[NH+]C ZINC000184812406 518570938 /nfs/dbraw/zinc/57/09/38/518570938.db2.gz SJSHDZWJUBNSMZ-UHFFFAOYSA-N 1 0 209.337 2.062 50 30 BEEARO [NH2+]=C(NCC1(c2ccccc2)CCC1)NC1CC1 ZINC000058426800 526800509 /nfs/dbraw/zinc/80/05/09/526800509.db2.gz ZQXQZCWWLIDVRF-UHFFFAOYSA-N 1 0 243.354 2.175 50 30 BEEARO [NH2+]=C(NC[C@@H]1CC=CCC1)N1CCCCC1 ZINC000097001323 644861585 /nfs/dbraw/zinc/86/15/85/644861585.db2.gz ZPXUFDABLHILHA-GFCCVEGCSA-N 1 0 221.348 2.143 50 30 BEEARO CC(C)(C)[N@@H+]1CC[C@H](Nc2cc(C#N)ccn2)C1 ZINC000693852384 959433447 /nfs/dbraw/zinc/43/34/47/959433447.db2.gz LFIRTCAJNXFVBM-LBPRGKRZSA-N 1 0 244.342 2.238 50 30 BEEARO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)N1CCCC1 ZINC000952877779 974059184 /nfs/dbraw/zinc/05/91/84/974059184.db2.gz VLRGCKHEPJDIDZ-MGPQQGTHSA-N 1 0 235.375 2.143 50 30 BEEARO CCC[C@@H](C#CC[NH+](CC)CC)OC(C)=O ZINC000005597672 983831826 /nfs/dbraw/zinc/83/18/26/983831826.db2.gz NLGUSTWXEYDYFT-ZDUSSCGKSA-N 1 0 225.332 2.063 50 30 BEEARO Cc1ccc(-c2c[n+](CC#N)c3n2CCC3)cc1 ZINC000012341732 178318042 /nfs/dbraw/zinc/31/80/42/178318042.db2.gz LLYFLNQDSTVPLG-UHFFFAOYSA-N 1 0 238.314 2.221 50 30 BEEARO Cc1ccc(C(=[NH2+])NOC(=O)c2ccco2)cc1 ZINC000004170163 178351625 /nfs/dbraw/zinc/35/16/25/178351625.db2.gz ZDEZEPUNRRREQN-UHFFFAOYSA-N 1 0 244.250 2.065 50 30 BEEARO ON=C1CC[NH+](Cc2ccccc2)CC1 ZINC000000184878 342679508 /nfs/dbraw/zinc/67/95/08/342679508.db2.gz VIMRHNNRKUWOIZ-UHFFFAOYSA-N 1 0 204.273 2.113 50 30 BEEARO N#CCC[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000003268175 342731793 /nfs/dbraw/zinc/73/17/93/342731793.db2.gz DRROTNRHCXFLBA-UHFFFAOYSA-N 1 0 204.317 2.458 50 30 BEEARO C[C@@H]1CC(=O)C=C([NH2+]Nc2ccccc2)C1 ZINC000005211711 342760328 /nfs/dbraw/zinc/76/03/28/342760328.db2.gz GEVSPVACZBEYCI-JTQLQIEISA-N 1 0 216.284 2.486 50 30 BEEARO CC(=[NH+]c1ccc2c[nH]nc2c1)N(C)C ZINC000012336434 342849305 /nfs/dbraw/zinc/84/93/05/342849305.db2.gz TYSYDVONXHQGKX-MDWZMJQESA-N 1 0 202.261 2.174 50 30 BEEARO CO[C@H](C)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000164074264 398327381 /nfs/dbraw/zinc/32/73/81/398327381.db2.gz FTWXTJGGQNSKAI-GHMZBOCLSA-N 1 0 218.300 2.244 50 30 BEEARO CO[C@H](C)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000164074024 398327390 /nfs/dbraw/zinc/32/73/90/398327390.db2.gz FTWXTJGGQNSKAI-MNOVXSKESA-N 1 0 218.300 2.244 50 30 BEEARO C=C(C)C[N@@H+]1CCOc2ccccc2C1 ZINC000069485707 398329930 /nfs/dbraw/zinc/32/99/30/398329930.db2.gz VYLULDPPJRQVJD-UHFFFAOYSA-N 1 0 203.285 2.457 50 30 BEEARO CNC(=[NH2+])N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000073753376 187260810 /nfs/dbraw/zinc/26/08/10/187260810.db2.gz XFRHVTWWCHLVTK-UHFFFAOYSA-N 1 0 233.359 2.360 50 30 BEEARO CC[N@@H+]1CCCN(c2ccc(F)cc2C#N)CC1 ZINC000084789209 343546776 /nfs/dbraw/zinc/54/67/76/343546776.db2.gz FNPATCUICQYWGD-UHFFFAOYSA-N 1 0 247.317 2.229 50 30 BEEARO C[N@H+](CCOc1ccc(C#N)cc1)CC1CC1 ZINC000037903022 343749854 /nfs/dbraw/zinc/74/98/54/343749854.db2.gz HDIPSJHDAHCRNC-UHFFFAOYSA-N 1 0 230.311 2.279 50 30 BEEARO C=CCc1ccc(O[C@@H]2CC[NH2+]C2)c(OC)c1 ZINC000042775565 187354906 /nfs/dbraw/zinc/35/49/06/187354906.db2.gz UDJOBRMFPIDEHE-GFCCVEGCSA-N 1 0 233.311 2.164 50 30 BEEARO CSc1sc(C#N)c(N)c1-[n+]1ccccc1 ZINC000005037757 344908567 /nfs/dbraw/zinc/90/85/67/344908567.db2.gz FVCCOHLBVYHFTC-UHFFFAOYSA-N 1 0 248.356 2.201 50 30 BEEARO C=CC[NH2+][C@H](C)CC(=O)Nc1cccc(F)c1 ZINC000130751116 187360000 /nfs/dbraw/zinc/36/00/00/187360000.db2.gz SNSVYHLNFIUTCE-SNVBAGLBSA-N 1 0 236.290 2.318 50 30 BEEARO C=C(C)C[N@@H+](CC)[C@@H]1CCCN(C(C)C)C1=O ZINC000095975882 187361652 /nfs/dbraw/zinc/36/16/52/187361652.db2.gz XTTWAULNELCPKK-CYBMUJFWSA-N 1 0 238.375 2.284 50 30 BEEARO N#[N+]N=C(NO)c1cccc([N+](=O)[O-])c1 ZINC000669374510 537951014 /nfs/dbraw/zinc/95/10/14/537951014.db2.gz IMMIZKGOLRXWSG-JXMROGBWSA-N 1 0 207.149 2.041 50 30 BEEARO C[NH+]=C(NCc1ccccc1)NC1CCCC1 ZINC000072271934 537967067 /nfs/dbraw/zinc/96/70/67/537967067.db2.gz QUTXEPNDDJYDQZ-UHFFFAOYSA-N 1 0 231.343 2.294 50 30 BEEARO C=CCCC[N@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000035287505 166235111 /nfs/dbraw/zinc/23/51/11/166235111.db2.gz VQQQGEOEVKXBTD-LBPRGKRZSA-N 1 0 225.332 2.228 50 30 BEEARO Cc1cccc(N2CCC(/[NH+]=C/N(C)C)=N2)c1 ZINC000012410231 179122004 /nfs/dbraw/zinc/12/20/04/179122004.db2.gz WNLWQXPSPUDQGA-GXDHUFHOSA-N 1 0 230.315 2.109 50 30 BEEARO C=C(C)C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000070007020 188047873 /nfs/dbraw/zinc/04/78/73/188047873.db2.gz OPRABFBTTVJBOT-GFCCVEGCSA-N 1 0 205.305 2.133 50 30 BEEARO C=CCc1cccc(C)c1OCC[NH2+]C ZINC000002844462 188275776 /nfs/dbraw/zinc/27/57/76/188275776.db2.gz PTBDCUVEPHTEPA-UHFFFAOYSA-N 1 0 205.301 2.322 50 30 BEEARO C=CCc1ccccc1OCCC[NH2+]CCOC ZINC000003002157 188357181 /nfs/dbraw/zinc/35/71/81/188357181.db2.gz ADJKAJJOAFUKAX-UHFFFAOYSA-N 1 0 249.354 2.420 50 30 BEEARO C#CC[N@@H+](C)Cc1ccc(O)c2ncccc12 ZINC000038192602 188354964 /nfs/dbraw/zinc/35/49/64/188354964.db2.gz FQFLPZZATVCNLA-UHFFFAOYSA-N 1 0 226.279 2.005 50 30 BEEARO N#CC[C@H](C1CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000221748169 181046472 /nfs/dbraw/zinc/04/64/72/181046472.db2.gz WJQXSBRRNZYITM-DZGCQCFKSA-N 1 0 247.386 2.096 50 30 BEEARO CCCCCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000002160130 363337112 /nfs/dbraw/zinc/33/71/12/363337112.db2.gz BGQZAHIRBZUDOL-GFCCVEGCSA-N 1 0 226.364 2.154 50 30 BEEARO N#Cc1cccc(CNCCC[NH+]2CCCC2)c1 ZINC000020128977 181137686 /nfs/dbraw/zinc/13/76/86/181137686.db2.gz ROCWXYWPEXWPAM-UHFFFAOYSA-N 1 0 243.354 2.134 50 30 BEEARO C=C(Cl)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000098018530 538715955 /nfs/dbraw/zinc/71/59/55/538715955.db2.gz OFHVCSRHKIZOJZ-QWRGUYRKSA-N 1 0 216.756 2.153 50 30 BEEARO CC[NH+]1CCC(NCc2cccc(C#N)c2)CC1 ZINC000037979041 360878626 /nfs/dbraw/zinc/87/86/26/360878626.db2.gz JWEVRCHDJUNXQU-UHFFFAOYSA-N 1 0 243.354 2.132 50 30 BEEARO C=CCC[C@@H](C)[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000252586380 363901635 /nfs/dbraw/zinc/90/16/35/363901635.db2.gz PNOZXUVFNKPWKC-UPJWGTAASA-N 1 0 211.349 2.482 50 30 BEEARO C=CCC[C@H](C)[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000253369369 368939747 /nfs/dbraw/zinc/93/97/47/368939747.db2.gz BRRIMTBJBRJNGL-YNEHKIRRSA-N 1 0 211.349 2.482 50 30 BEEARO C=CCC[C@H](CC)[NH2+]C[C@H]1CCC[C@H]1O ZINC000245339430 373262236 /nfs/dbraw/zinc/26/22/36/373262236.db2.gz SSINQUWNROJDAW-FRRDWIJNSA-N 1 0 211.349 2.482 50 30 BEEARO O=C1c2ccccc2CC[C@H]1[n+]1ccccc1 ZINC000004671204 182846329 /nfs/dbraw/zinc/84/63/29/182846329.db2.gz YLFXKEWAYUQTEZ-CQSZACIVSA-N 1 0 224.283 2.344 50 30 BEEARO OC1(C#CC[NH+]2CCCCC2)CCCCC1 ZINC000000097835 183015197 /nfs/dbraw/zinc/01/51/97/183015197.db2.gz JZLSCGJOGCMUIK-UHFFFAOYSA-N 1 0 221.344 2.171 50 30 BEEARO C/C(Cc1ccccc1)=N\NCCC[NH+](C)C ZINC000071773107 384178064 /nfs/dbraw/zinc/17/80/64/384178064.db2.gz DGXKROUXTQTWIE-DTQAZKPQSA-N 1 0 233.359 2.146 50 30 BEEARO C#CC[N@H+]1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000032928722 384480059 /nfs/dbraw/zinc/48/00/59/384480059.db2.gz YAUJNIPGWIZCCS-CYBMUJFWSA-N 1 0 245.322 2.474 50 30 BEEARO O=[N+]1C2=C(NC13CCCCC3)C(=NO)CCC2 ZINC000100670950 384652172 /nfs/dbraw/zinc/65/21/72/384652172.db2.gz ODLVALUJKNVRRX-NTEUORMPSA-N 1 0 235.287 2.067 50 30 BEEARO C=CC[NH2+][C@@H](C)CC(=O)Nc1cccc(F)c1 ZINC000130750943 386176446 /nfs/dbraw/zinc/17/64/46/386176446.db2.gz SNSVYHLNFIUTCE-JTQLQIEISA-N 1 0 236.290 2.318 50 30 BEEARO C=CC[C@]1(CO)CCC[N@H+](Cc2ccco2)C1 ZINC000091986870 386319927 /nfs/dbraw/zinc/31/99/27/386319927.db2.gz CDHQCWAIWMLQBE-AWEZNQCLSA-N 1 0 235.327 2.430 50 30 BEEARO CCC(O)(C#CC[NH+]1CCCCC1)CC ZINC000000251719 386605669 /nfs/dbraw/zinc/60/56/69/386605669.db2.gz CWLHFLKRKJLNOA-UHFFFAOYSA-N 1 0 209.333 2.027 50 30 BEEARO CC(C)[N@H+](CC#C[C@H](C)O)Cc1ccccc1 ZINC000002472969 386675173 /nfs/dbraw/zinc/67/51/73/386675173.db2.gz JESMPIWGMKDYSZ-AWEZNQCLSA-N 1 0 231.339 2.281 50 30 BEEARO C[C@H](Cc1ccco1)[NH+]1CCC(C#N)CC1 ZINC000575606321 387391559 /nfs/dbraw/zinc/39/15/59/387391559.db2.gz IDGIXTMFCQSSOV-LLVKDONJSA-N 1 0 218.300 2.446 50 30 BEEARO C=CC[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000119546708 387474840 /nfs/dbraw/zinc/47/48/40/387474840.db2.gz CZCAHMLIGIDSNR-UHFFFAOYSA-N 1 0 231.324 2.481 50 30 BEEARO Cc1cc(/C=C/[NH+](C)C)c(C#N)c(Cl)n1 ZINC000052518748 387483594 /nfs/dbraw/zinc/48/35/94/387483594.db2.gz MUVGAQLKXKKRCB-SNAWJCMRSA-N 1 0 221.691 2.447 50 30 BEEARO C[C@@H](O)C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000065288564 388255743 /nfs/dbraw/zinc/25/57/43/388255743.db2.gz JODVMTOGBDEGON-GFCCVEGCSA-N 1 0 244.338 2.151 50 30 BEEARO C#Cc1ccc(C[NH2+]CCc2ccccn2)cc1 ZINC000253426768 388591865 /nfs/dbraw/zinc/59/18/65/388591865.db2.gz AXYGADAGYYVMQF-UHFFFAOYSA-N 1 0 236.318 2.395 50 30 BEEARO C#CC[N@@H+](CC)Cc1ccc(OC)c(OC)c1 ZINC000096001425 388801801 /nfs/dbraw/zinc/80/18/01/388801801.db2.gz ZSQCBOVGOSSRSV-UHFFFAOYSA-N 1 0 233.311 2.159 50 30 BEEARO Cc1cnc([C@@H](C)[NH2+]CCCC#N)s1 ZINC000097085140 388833132 /nfs/dbraw/zinc/83/31/32/388833132.db2.gz KCJJSOWFFWAGDS-SECBINFHSA-N 1 0 209.318 2.406 50 30 BEEARO COc1ccccc1CNC(=[NH2+])NCC=C(C)C ZINC000191150124 134950591 /nfs/dbraw/zinc/95/05/91/134950591.db2.gz CDWZOOXNZNYZHX-UHFFFAOYSA-N 1 0 247.342 2.066 50 30 BEEARO C#CC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000061991202 166171863 /nfs/dbraw/zinc/17/18/63/166171863.db2.gz KYMRYIRSWDUKBO-ZDUSSCGKSA-N 1 0 200.285 2.242 50 30 biogenic BEEARO C=CCN(CC=C)CC[C@@H]1CCCC[NH2+]1 ZINC000042783333 166335389 /nfs/dbraw/zinc/33/53/89/166335389.db2.gz FKKMSVQMLAMCFV-ZDUSSCGKSA-N 1 0 208.349 2.193 50 30 BEEARO C=CC[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000075132377 166354702 /nfs/dbraw/zinc/35/47/02/166354702.db2.gz LAFKBBVBFYUMDX-LBPRGKRZSA-N 1 0 219.332 2.360 50 30 BEEARO C=CCN1CC[N@H+](CC=C)[C@@H](CCC)C1 ZINC000089950027 166356880 /nfs/dbraw/zinc/35/68/80/166356880.db2.gz WOIOWEAZWCPXIP-ZDUSSCGKSA-N 1 0 208.349 2.145 50 30 BEEARO N#Cc1cccc(C[N@H+]2CCCCC[C@H]2CO)c1 ZINC000133522335 411186022 /nfs/dbraw/zinc/18/60/22/411186022.db2.gz KOCLQJDRXICCKW-HNNXBMFYSA-N 1 0 244.338 2.295 50 30 BEEARO CN(C)C(=[NH+]CC1(c2ccccc2)CC1)N(C)C ZINC000225545744 172353407 /nfs/dbraw/zinc/35/34/07/172353407.db2.gz JMDBADXTDMUERE-UHFFFAOYSA-N 1 0 245.370 2.197 50 30 BEEARO COc1cccc(C(=O)C[n+]2ccccc2C)c1 ZINC000005711496 175242385 /nfs/dbraw/zinc/24/23/85/175242385.db2.gz SHKXNHQMDIVBBC-UHFFFAOYSA-N 1 0 242.298 2.174 50 30 BEEARO COc1cccc(C(=O)C[n+]2ccc(C)cc2)c1 ZINC000002529516 175242777 /nfs/dbraw/zinc/24/27/77/175242777.db2.gz JSJPGWLZZBUXBX-UHFFFAOYSA-N 1 0 242.298 2.174 50 30 BEEARO C[C@H]([NH2+]CCCCC#N)[C@H](C)n1cccn1 ZINC000069972427 176842307 /nfs/dbraw/zinc/84/23/07/176842307.db2.gz DLYGMRPNBXQQPH-RYUDHWBXSA-N 1 0 220.320 2.116 50 30 BEEARO CC(C)(CNc1ncccc1C#N)[NH+]1CCCC1 ZINC000670457668 487510697 /nfs/dbraw/zinc/51/06/97/487510697.db2.gz BLCNQDMAVBMZLT-UHFFFAOYSA-N 1 0 244.342 2.240 50 30 BEEARO Cc1noc(C)c1CSC(=[NH2+])NC(C)C ZINC000032514396 488147517 /nfs/dbraw/zinc/14/75/17/488147517.db2.gz ISNXLXNQDKMIEZ-UHFFFAOYSA-N 1 0 227.333 2.248 50 30 BEEARO C[C@@H](O)[C@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000097162232 490326161 /nfs/dbraw/zinc/32/61/61/490326161.db2.gz FTCRBVXASDEVFN-OLZOCXBDSA-N 1 0 238.375 2.409 50 30 BEEARO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000252480077 522020215 /nfs/dbraw/zinc/02/02/15/522020215.db2.gz BUERJAFMGPFVPK-REWJHTLYSA-N 1 0 238.375 2.455 50 30 BEEARO C=CC[C@@H]1C=CC[C@@H](CC=C)[N@H+]1CCO ZINC000004157099 635790384 /nfs/dbraw/zinc/79/03/84/635790384.db2.gz SVGVOQWEUWSJNS-CHWSQXEVSA-N 1 0 207.317 2.130 50 30 BEEARO C=CC[C@@H]1CC=C[C@H](CC=C)[N@@H+]1CCO ZINC000000264988 643073623 /nfs/dbraw/zinc/07/36/23/643073623.db2.gz SVGVOQWEUWSJNS-QWHCGFSZSA-N 1 0 207.317 2.130 50 30 BEEARO C#CCC[C@H](O)C[NH2+]Cc1c(C)cccc1C ZINC000717960294 712735253 /nfs/dbraw/zinc/73/52/53/712735253.db2.gz ZVXQCSJPZVEOFA-AWEZNQCLSA-N 1 0 231.339 2.167 50 30 BEEARO CC[N@H+](Cc1ccccc1C#N)[C@@H](C)COC ZINC000042252178 361978023 /nfs/dbraw/zinc/97/80/23/361978023.db2.gz HPGWQKCJXRUMSI-LBPRGKRZSA-N 1 0 232.327 2.415 50 30 BEEARO N#CC1(c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000071522769 259332009 /nfs/dbraw/zinc/33/20/09/259332009.db2.gz PZZPISYIGMLPJB-UHFFFAOYSA-N 1 0 220.703 2.485 50 30 BEEARO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000247665074 344309850 /nfs/dbraw/zinc/30/98/50/344309850.db2.gz XXZDASLPAMGTDW-KGLIPLIRSA-N 1 0 249.358 2.264 50 30 BEEARO N#C[C@@H]1C[NH2+]C[C@@H]1c1ccccc1Cl ZINC000259673125 344682153 /nfs/dbraw/zinc/68/21/53/344682153.db2.gz JXGRSWBBZMWJMA-SCZZXKLOSA-N 1 0 206.676 2.167 50 30 BEEARO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000335227910 345153533 /nfs/dbraw/zinc/15/35/33/345153533.db2.gz BPODWYZHHXRXOB-MWLCHTKSSA-N 1 0 219.263 2.003 50 30 BEEARO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000335227911 345153547 /nfs/dbraw/zinc/15/35/47/345153547.db2.gz BPODWYZHHXRXOB-ONGXEEELSA-N 1 0 219.263 2.003 50 30 BEEARO CNC(NCc1oc2ccc(F)cc2c1C)=[NH+]C ZINC000095958203 345687011 /nfs/dbraw/zinc/68/70/11/345687011.db2.gz ZAOUVKSDAABRED-UHFFFAOYSA-N 1 0 249.289 2.175 50 30 BEEARO C=CC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000195572768 347647787 /nfs/dbraw/zinc/64/77/87/347647787.db2.gz DALGVJGGVHEDMY-DZGCQCFKSA-N 1 0 245.370 2.068 50 30 BEEARO C[N+](=O)Cc1cccc(Br)c1 ZINC000100384396 187471682 /nfs/dbraw/zinc/47/16/82/187471682.db2.gz IDVIRZLUYGWNOI-UXBLZVDNSA-N 1 0 214.062 2.008 50 30 BEEARO C=C(C)COCC[NH2+]C1Cc2ccccc2C1 ZINC000090450854 188129083 /nfs/dbraw/zinc/12/90/83/188129083.db2.gz JVSVCRCJRADYMT-UHFFFAOYSA-N 1 0 231.339 2.336 50 30 BEEARO C=C(Cl)CN1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000096452801 188188321 /nfs/dbraw/zinc/18/83/21/188188321.db2.gz UZZROWZDMFPBLE-GFCCVEGCSA-N 1 0 230.783 2.403 50 30 BEEARO CCCCCOc1ccc(C=NNC(N)=[NH2+])cc1 ZINC000252446871 363254160 /nfs/dbraw/zinc/25/41/60/363254160.db2.gz CFNOSYVFYPBETC-UHFFFAOYSA-N 1 0 248.330 2.073 50 30 BEEARO N#CCCCN1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000069874840 181036106 /nfs/dbraw/zinc/03/61/06/181036106.db2.gz RQKQBZXTXKMKPM-AWEZNQCLSA-N 1 0 235.375 2.240 50 30 BEEARO N#CC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000039214378 181044941 /nfs/dbraw/zinc/04/49/41/181044941.db2.gz HYBXAXKMVJEWHM-CYBMUJFWSA-N 1 0 200.285 2.422 50 30 BEEARO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CO)c(F)c1 ZINC000042338688 181103031 /nfs/dbraw/zinc/10/30/31/181103031.db2.gz NPTDRKHYHIVVTC-ZDUSSCGKSA-N 1 0 248.301 2.044 50 30 BEEARO N#Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000011959657 181127957 /nfs/dbraw/zinc/12/79/57/181127957.db2.gz CDIZHIFLNQNLOO-UHFFFAOYSA-N 1 0 216.284 2.033 50 30 BEEARO N#Cc1ccc(O[C@H]2CCC[NH2+]C2)cc1Cl ZINC000012359859 181128604 /nfs/dbraw/zinc/12/86/04/181128604.db2.gz GPGZXKBRTANYCD-NSHDSACASA-N 1 0 236.702 2.342 50 30 BEEARO C[NH+](C)CC#C[C@@]1(C)CCCC(C)(C)O1 ZINC000006668111 360559949 /nfs/dbraw/zinc/55/99/49/360559949.db2.gz RSUHJILXOKLURG-CYBMUJFWSA-N 1 0 209.333 2.289 50 30 BEEARO CC[N@@H+]1CCC[C@@H]1Cn1c(C)c(C)c(C#N)c1N ZINC000006668659 360560643 /nfs/dbraw/zinc/56/06/43/360560643.db2.gz CWJUITMVGMPALY-GFCCVEGCSA-N 1 0 246.358 2.043 50 30 BEEARO [NH3+]CC#Cc1ccc(Cl)cc1Cl ZINC000040940964 181345798 /nfs/dbraw/zinc/34/57/98/181345798.db2.gz DTMYNCXDTDBBTG-UHFFFAOYSA-N 1 0 200.068 2.304 50 30 BEEARO C=C(C)CN(C)C(NCCc1ccco1)=[NH+]CC ZINC000154711479 371151005 /nfs/dbraw/zinc/15/10/05/371151005.db2.gz HWLMOWOVVRRANO-UHFFFAOYSA-N 1 0 249.358 2.296 50 30 BEEARO CC[NH+](CC)CC#C[C@](C)(O)c1ccccc1 ZINC000002485691 371558509 /nfs/dbraw/zinc/55/85/09/371558509.db2.gz DODFZHPJPSNPPW-HNNXBMFYSA-N 1 0 231.339 2.239 50 30 BEEARO CC[NH+](CC)CC#C[C@@](C)(O)c1ccccc1 ZINC000002485692 371558767 /nfs/dbraw/zinc/55/87/67/371558767.db2.gz DODFZHPJPSNPPW-OAHLLOKOSA-N 1 0 231.339 2.239 50 30 BEEARO CCCCC[NH2+]CC(=O)Nc1ccccc1C#N ZINC000003338944 371961118 /nfs/dbraw/zinc/96/11/18/371961118.db2.gz JKYNNQMPVBUOKJ-UHFFFAOYSA-N 1 0 245.326 2.277 50 30 BEEARO O=C(C[n+]1cccc2ccccc21)C1CC1 ZINC000002289159 182033115 /nfs/dbraw/zinc/03/31/15/182033115.db2.gz JACAATVSTFHUSJ-UHFFFAOYSA-N 1 0 212.272 2.106 50 30 BEEARO CCCCCCC[NH2+]CCC(=O)OCC ZINC000100016228 205483199 /nfs/dbraw/zinc/48/31/99/205483199.db2.gz REFIFNNSZWZNAX-UHFFFAOYSA-N 1 0 215.337 2.500 50 30 BEEARO N#CCCCC[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000071875744 374319727 /nfs/dbraw/zinc/31/97/27/374319727.db2.gz IPKGSJBMXQWZFR-ZDUSSCGKSA-N 1 0 232.331 2.041 50 30 BEEARO C=C1[NH+]2CCC(CC2)[C@@]1(O)c1ccccc1C ZINC000000550871 383874607 /nfs/dbraw/zinc/87/46/07/383874607.db2.gz PFKAJVHTQNHMGR-OAHLLOKOSA-N 1 0 229.323 2.422 50 30 BEEARO CSCCCCNC(=[NH2+])N1CCCCCC1 ZINC000097015438 384285544 /nfs/dbraw/zinc/28/55/44/384285544.db2.gz NKYIHKOBGLUDFV-UHFFFAOYSA-N 1 0 243.420 2.320 50 30 BEEARO CC#CC[N+](C)(CC#CC)CC(=O)C(C)(C)C ZINC000004349154 384325511 /nfs/dbraw/zinc/32/55/11/384325511.db2.gz ZUNVKDIMBKDNEV-UHFFFAOYSA-N 1 0 234.363 2.095 50 30 BEEARO CC1(C)CC(NC2=CC(=O)CC2)CC(C)(C)[NH2+]1 ZINC000018244311 384502844 /nfs/dbraw/zinc/50/28/44/384502844.db2.gz GBYAFEUCNRQGFG-UHFFFAOYSA-N 1 0 236.359 2.132 50 30 BEEARO C=C(Cl)C[N@H+](CC)C[C@H]1CCOC1 ZINC000052072308 385640237 /nfs/dbraw/zinc/64/02/37/385640237.db2.gz ZYLIYHABYVZALL-SNVBAGLBSA-N 1 0 203.713 2.097 50 30 BEEARO C=CC[NH2+]Cc1cccc(OC)c1OCC ZINC000006703227 386829453 /nfs/dbraw/zinc/82/94/53/386829453.db2.gz NFQBOSRJVNJTFD-UHFFFAOYSA-N 1 0 221.300 2.370 50 30 BEEARO C=C(C)C[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000089914045 387189762 /nfs/dbraw/zinc/18/97/62/387189762.db2.gz DNHZSLPMBOKVIP-CQSZACIVSA-N 1 0 244.338 2.126 50 30 BEEARO CC(C)n1cnnc1C[NH2+]CC(C)(C)CCC#N ZINC000089156542 387138712 /nfs/dbraw/zinc/13/87/12/387138712.db2.gz IKQLTNKMJKSHKO-UHFFFAOYSA-N 1 0 249.362 2.279 50 30 BEEARO C=C(C)C[N@@H+](C)[C@@H]1CCc2ccccc2NC1=O ZINC000192167533 387356043 /nfs/dbraw/zinc/35/60/43/387356043.db2.gz NXJJXRGQKJXRFU-CQSZACIVSA-N 1 0 244.338 2.448 50 30 BEEARO C=CC[N+](C)(C)CC(=O)c1ccccc1 ZINC000001831783 387963801 /nfs/dbraw/zinc/96/38/01/387963801.db2.gz CCCZWZHEYFEJKN-UHFFFAOYSA-N 1 0 204.293 2.132 50 30 BEEARO C[NH+]=C(NCc1ccco1)NCc1cccs1 ZINC000065520120 388081896 /nfs/dbraw/zinc/08/18/96/388081896.db2.gz XWIHGGRBKYWSML-UHFFFAOYSA-N 1 0 249.339 2.206 50 30 BEEARO C=C(C)C[NH2+][C@@H](C)[C@H](C)n1cc(C)cn1 ZINC000069652960 388422680 /nfs/dbraw/zinc/42/26/80/388422680.db2.gz UUSSJNNPWBNLJS-RYUDHWBXSA-N 1 0 207.321 2.307 50 30 BEEARO C=C(C)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000055105903 388660110 /nfs/dbraw/zinc/66/01/10/388660110.db2.gz VCHAXKGOIZAFJL-UHFFFAOYSA-N 1 0 244.382 2.423 50 30 BEEARO C=CC1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000225484910 388718790 /nfs/dbraw/zinc/71/87/90/388718790.db2.gz GWBCUOFWZWWPSG-CQSZACIVSA-N 1 0 244.338 2.111 50 30 BEEARO C=C(C)C[NH+]1CCN(c2ccccc2OC)CC1 ZINC000048342053 132228043 /nfs/dbraw/zinc/22/80/43/132228043.db2.gz SIOWVSOFDCUEON-UHFFFAOYSA-N 1 0 246.354 2.393 50 30 BEEARO C=C(C)CN(CC)Cc1nc(C2CC2)no1 ZINC000044995960 135227294 /nfs/dbraw/zinc/22/72/94/135227294.db2.gz KTQMCWYQYXSPME-UHFFFAOYSA-N 1 0 221.304 2.345 50 30 BEEARO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000096478693 166302040 /nfs/dbraw/zinc/30/20/40/166302040.db2.gz SSINQUWNROJDAW-AVGNSLFASA-N 1 0 211.349 2.482 50 30 BEEARO C=CCN1CC[NH+](CCc2ccccc2)CC1 ZINC000055378880 166355463 /nfs/dbraw/zinc/35/54/63/166355463.db2.gz MAYNPMCHHRDYIQ-UHFFFAOYSA-N 1 0 230.355 2.033 50 30 BEEARO C=CC[NH2+]CCOc1ccc(Cl)cc1 ZINC000004568348 166398795 /nfs/dbraw/zinc/39/87/95/166398795.db2.gz QCXCFKFEQLGNHB-UHFFFAOYSA-N 1 0 211.692 2.494 50 30 BEEARO CC[NH2+]CC#CCOc1cc(C)cc(C)c1 ZINC000016622173 170109703 /nfs/dbraw/zinc/10/97/03/170109703.db2.gz GOHZLKFOSUQWIF-UHFFFAOYSA-N 1 0 217.312 2.295 50 30 BEEARO CN(C)/C=[NH+]/c1c(C=O)[nH]c2ccccc21 ZINC000004113388 172351842 /nfs/dbraw/zinc/35/18/42/172351842.db2.gz KVFADAWUBWXUNR-MDWZMJQESA-N 1 0 215.256 2.202 50 30 BEEARO C[NH2+]CC#CCOc1c(C)ccc(C)c1C ZINC000016623842 173324543 /nfs/dbraw/zinc/32/45/43/173324543.db2.gz LUYFWBAJEFRHSR-UHFFFAOYSA-N 1 0 217.312 2.213 50 30 BEEARO C[C@H]1CCC[C@H](C)[NH+]1CC#CC(C)(C)O ZINC000000197977 177131142 /nfs/dbraw/zinc/13/11/42/177131142.db2.gz RCTTWLVFPRFKCS-RYUDHWBXSA-N 1 0 209.333 2.024 50 30 BEEARO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CC#N ZINC000077371677 177265451 /nfs/dbraw/zinc/26/54/51/177265451.db2.gz IWTJNJZYNZMQQE-AWEZNQCLSA-N 1 0 243.354 2.106 50 30 BEEARO CC[C@@H]1CCC[C@H](C[NH+]2CCN(CC#N)CC2)C1 ZINC000097372963 322987691 /nfs/dbraw/zinc/98/76/91/322987691.db2.gz NSRJMPYFDGRBMZ-CABCVRRESA-N 1 0 249.402 2.344 50 30 BEEARO CC(C)(CNc1cc(C#N)ccn1)[NH+]1CCCC1 ZINC000670458305 487510524 /nfs/dbraw/zinc/51/05/24/487510524.db2.gz PERBIDQZKQIXGX-UHFFFAOYSA-N 1 0 244.342 2.240 50 30 BEEARO C=C(Cl)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000096447065 518648997 /nfs/dbraw/zinc/64/89/97/518648997.db2.gz UHADGZYLTXVIGG-ZDUSSCGKSA-N 1 0 242.794 2.403 50 30 BEEARO Cc1cccc(N2CCC([NH+]=CN(C)C)=N2)c1 ZINC000252634420 524536569 /nfs/dbraw/zinc/53/65/69/524536569.db2.gz WNLWQXPSPUDQGA-UHFFFAOYSA-N 1 0 230.315 2.109 50 30 BEEARO C[NH+]=C(NCc1ccco1)NCc1ccccc1 ZINC000849040401 588447741 /nfs/dbraw/zinc/44/77/41/588447741.db2.gz JDRCXHPYBYEVFE-UHFFFAOYSA-N 1 0 243.310 2.145 50 30 BEEARO C#CC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000585089098 972127642 /nfs/dbraw/zinc/12/76/42/972127642.db2.gz CMFAPIKONTWOMF-UHFFFAOYSA-N 1 0 224.307 2.403 50 30 BEEARO Fc1ccc(N=NC2C[NH+]3CCC2CC3)cc1 ZINC000952874730 974055737 /nfs/dbraw/zinc/05/57/37/974055737.db2.gz PDZANKTWMMMKIC-UHFFFAOYSA-N 1 0 233.290 2.319 50 30 BEEARO C=CC[C@@H]1Nc2ccccc2[C@H]1CC[NH3+] ZINC000005725873 983856543 /nfs/dbraw/zinc/85/65/43/983856543.db2.gz ZYEPAWDPHHIWDP-NEPJUHHUSA-N 1 0 202.301 2.489 50 30 BEEARO C[C@H](C(=O)c1ccccc1)[n+]1ccccc1 ZINC000001668343 342707713 /nfs/dbraw/zinc/70/77/13/342707713.db2.gz WDUPASOLSULDTJ-GFCCVEGCSA-N 1 0 212.272 2.418 50 30 BEEARO CCCCOc1cccc(CNC(=[NH2+])N(C)C)c1 ZINC000072272449 343127270 /nfs/dbraw/zinc/12/72/70/343127270.db2.gz ACMJMCOPMNYPNS-UHFFFAOYSA-N 1 0 249.358 2.242 50 30 BEEARO CC(C)[NH+]=C(NCc1ccccc1)NC1CC1 ZINC000072283269 343138948 /nfs/dbraw/zinc/13/89/48/343138948.db2.gz FXKSCKJKVLSJOO-UHFFFAOYSA-N 1 0 231.343 2.293 50 30 BEEARO C[NH+](C)[C@]1(C)C[C@H]2[C@@H](C/C1=N\O)C2(C)C ZINC000004754442 343273594 /nfs/dbraw/zinc/27/35/94/343273594.db2.gz HKAOKTVQPVELEF-AKHJPCGYSA-N 1 0 210.321 2.203 50 30 BEEARO C=CC[N+]1(CC#Cc2ccccc2)CCOCC1 ZINC000000196849 344622162 /nfs/dbraw/zinc/62/21/62/344622162.db2.gz HRBTUPLVPCHJSB-UHFFFAOYSA-N 1 0 242.342 2.071 50 30 BEEARO Cc1ccc(Cl)cc1CNC(=[NH2+])N(C)C ZINC000252496578 345531720 /nfs/dbraw/zinc/53/17/20/345531720.db2.gz PLZASYWDOQPQRG-UHFFFAOYSA-N 1 0 225.723 2.025 50 30 BEEARO CN(C)C(=[NH+]CCCc1cccs1)N(C)C ZINC000170591432 345870277 /nfs/dbraw/zinc/87/02/77/345870277.db2.gz SHFRQPFLIXYECD-UHFFFAOYSA-N 1 0 239.388 2.160 50 30 BEEARO C[C@H]1C[C@@H]1NC(=[NH2+])Nc1ccc(F)cc1F ZINC000075583765 537928171 /nfs/dbraw/zinc/92/81/71/537928171.db2.gz PMQKRTQDHLDOHL-WKEGUHRASA-N 1 0 225.242 2.100 50 30 BEEARO C[NH+]=C(NCc1ccccc1F)NC(C)(C)C ZINC000075583201 537928272 /nfs/dbraw/zinc/92/82/72/537928272.db2.gz SKYKGVXDYJKJKL-UHFFFAOYSA-N 1 0 237.322 2.289 50 30 BEEARO Cc1ccccc1C1(C#N)CC[NH+](C)CC1 ZINC000004137039 179255458 /nfs/dbraw/zinc/25/54/58/179255458.db2.gz CJYBISCLFCOPBU-UHFFFAOYSA-N 1 0 214.312 2.482 50 30 BEEARO Cc1nnc(C)n1/[NH+]=C/C=C/c1ccccc1 ZINC000003161044 180399716 /nfs/dbraw/zinc/39/97/16/180399716.db2.gz ZYMVGGLXPWXMSZ-UYQSWCAZSA-N 1 0 226.283 2.442 50 30 BEEARO CCNC(NC[C@@H](C)c1cccs1)=[NH+]CC ZINC000170635097 363053765 /nfs/dbraw/zinc/05/37/65/363053765.db2.gz QGNYBXLTHKYFML-SNVBAGLBSA-N 1 0 239.388 2.427 50 30 BEEARO C=CCOc1ccc2[nH]cc(CC[NH3+])c2c1 ZINC000002099716 363115426 /nfs/dbraw/zinc/11/54/26/363115426.db2.gz WWJHYQBRDZFAIK-UHFFFAOYSA-N 1 0 216.284 2.234 50 30 biogenic BEEARO CC(C)[N@H+](CC#C[C@@H](C)O)Cc1ccccc1 ZINC000002472278 188101077 /nfs/dbraw/zinc/10/10/77/188101077.db2.gz JESMPIWGMKDYSZ-CQSZACIVSA-N 1 0 231.339 2.281 50 30 BEEARO N#C[C@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000071372536 188130450 /nfs/dbraw/zinc/13/04/50/188130450.db2.gz YDGDHTYZTPBCLZ-OLZOCXBDSA-N 1 0 200.285 2.436 50 30 in-vitro BEEARO N#C[C@@H](c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000071372542 188130814 /nfs/dbraw/zinc/13/08/14/188130814.db2.gz YDGDHTYZTPBCLZ-QWHCGFSZSA-N 1 0 200.285 2.436 50 30 in-vitro BEEARO CC[NH+](CC)CC#C[C@](C)(CC)OC(C)=O ZINC000002495981 188159758 /nfs/dbraw/zinc/15/97/58/188159758.db2.gz UZMDIVRLXBKLIN-ZDUSSCGKSA-N 1 0 225.332 2.063 50 30 BEEARO C=C(C)[C@@](C)(C#CC[NH+]1CCCCC1)OC(C)=O ZINC000000034303 188224816 /nfs/dbraw/zinc/22/48/16/188224816.db2.gz MVJFRLUIXNRCEF-OAHLLOKOSA-N 1 0 249.354 2.374 50 30 BEEARO N#Cc1ccc2[nH]cc(C3=CC[NH2+]CC3)c2c1 ZINC000028763980 181131057 /nfs/dbraw/zinc/13/10/57/181131057.db2.gz VADZOZAUGGYKFE-UHFFFAOYSA-N 1 0 223.279 2.416 50 30 BEEARO [NH2+]=C(NC[C@@H]1CCCc2ccccc21)NC1CC1 ZINC000058185377 181179104 /nfs/dbraw/zinc/17/91/04/181179104.db2.gz VUTLQSLIUXUJIO-LBPRGKRZSA-N 1 0 243.354 2.173 50 30 BEEARO CCOc1ccccc1NC1=[NH+]CCC1 ZINC000002638112 358960792 /nfs/dbraw/zinc/96/07/92/358960792.db2.gz WPGSMSNHAMZINK-UHFFFAOYSA-N 1 0 204.273 2.499 50 30 BEEARO C[C@@]1([N+](=O)Cc2ccc(O)cc2)CCCCC1=O ZINC000002294782 369048604 /nfs/dbraw/zinc/04/86/04/369048604.db2.gz FQEUWWZEBLGSTO-MKRLJBPISA-N 1 0 247.294 2.223 50 30 BEEARO O=C(C[n+]1ccccn1)c1cccc2ccccc21 ZINC000006342418 182032748 /nfs/dbraw/zinc/03/27/48/182032748.db2.gz HEHIDACGXTUOSE-UHFFFAOYSA-N 1 0 249.293 2.405 50 30 BEEARO CC1(C)CN(CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000069780345 373761490 /nfs/dbraw/zinc/76/14/90/373761490.db2.gz KPBURQNMQKXGCB-UHFFFAOYSA-N 1 0 243.354 2.106 50 30 BEEARO O/N=C/c1ccc[n+](C/C=C/c2ccccc2)c1 ZINC000000254727 383848164 /nfs/dbraw/zinc/84/81/64/383848164.db2.gz IFQYJFXMYGYGIU-ZWEOZJOFSA-O 1 0 239.298 2.496 50 30 BEEARO Cc1ccc(C(=O)ON=C2CC[NH+](C)CC2)cc1 ZINC000000262176 383848551 /nfs/dbraw/zinc/84/85/51/383848551.db2.gz FREHWXIAZVLBMM-UHFFFAOYSA-N 1 0 246.310 2.233 50 30 BEEARO CO/N=C1\CC(C)(C)Cc2nc(N)sc21 ZINC000005915114 384138364 /nfs/dbraw/zinc/13/83/64/384138364.db2.gz VIZUPJLQECPLFP-NTUHNPAUSA-N 1 0 225.317 2.048 50 30 BEEARO CCCCCCC[NH2+]CCC(=O)NCC ZINC000100016232 384608304 /nfs/dbraw/zinc/60/83/04/384608304.db2.gz QFIGVBPBCKAYSQ-UHFFFAOYSA-N 1 0 214.353 2.073 50 30 BEEARO CC(C)=CCC(C)(C)/C=[NH+]\n1cnnc1 ZINC000030713693 385026655 /nfs/dbraw/zinc/02/66/55/385026655.db2.gz AZOCAQBVSYWOEC-AUWJEWJLSA-N 1 0 206.293 2.495 50 30 BEEARO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cccc(C#N)c1 ZINC000183585083 385687555 /nfs/dbraw/zinc/68/75/55/385687555.db2.gz YJVUJZQDUJGGLN-OSAQELSMSA-N 1 0 242.322 2.146 50 30 BEEARO C=CC[NH2+][C@H](C)CC(=O)N(C)c1ccccc1 ZINC000130670083 386176017 /nfs/dbraw/zinc/17/60/17/386176017.db2.gz CFGBSHBZPKQQIJ-GFCCVEGCSA-N 1 0 232.327 2.204 50 30 BEEARO C=CC(C)(C)OC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000011027291 386939935 /nfs/dbraw/zinc/93/99/35/386939935.db2.gz RNOIAPKSWWKPDM-ZDUSSCGKSA-N 1 0 241.375 2.060 50 30 BEEARO CCNC(NCc1ccccc1C)=[NH+]CC ZINC000066242249 387426658 /nfs/dbraw/zinc/42/66/58/387426658.db2.gz MZMYIDKAQBGAQU-UHFFFAOYSA-N 1 0 219.332 2.070 50 30 BEEARO C[C@H](CC#N)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075502634 387496179 /nfs/dbraw/zinc/49/61/79/387496179.db2.gz OZDBRHIAFNOZLX-ZIAGYGMSSA-N 1 0 235.375 2.096 50 30 BEEARO CCCCNC(NC1CC=CC1)=[NH+]CC ZINC000160256745 387479801 /nfs/dbraw/zinc/47/98/01/387479801.db2.gz BVYCPPZLGPIEAH-UHFFFAOYSA-N 1 0 209.337 2.060 50 30 BEEARO CN(C)C=[NH+]c1ccc(C(=O)/C=C/N(C)C)cc1 ZINC000254752951 388358712 /nfs/dbraw/zinc/35/87/12/388358712.db2.gz SARUUKFAZZNXLN-VSKGTYBNSA-N 1 0 245.326 2.166 50 30 BEEARO C=C(Cl)C[N@H+]1CCCC[C@H]1[C@H](O)CC ZINC000076325381 388397228 /nfs/dbraw/zinc/39/72/28/388397228.db2.gz SEAKPTHNCAOOEA-WDEREUQCSA-N 1 0 217.740 2.364 50 30 BEEARO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc(C#N)nc2)C1 ZINC000195535387 388478657 /nfs/dbraw/zinc/47/86/57/388478657.db2.gz RBVWLEWSMHSXGA-SMDDNHRTSA-N 1 0 244.342 2.238 50 30 BEEARO N#CCCC[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC000195557835 388482602 /nfs/dbraw/zinc/48/26/02/388482602.db2.gz SWCFMKDBEQJEOQ-LBPRGKRZSA-N 1 0 238.718 2.267 50 30 BEEARO C=CCS[C@@H]1NC(C)(C)C[C@]2(C)OCCN12 ZINC000019328319 388738222 /nfs/dbraw/zinc/73/82/22/388738222.db2.gz PBRZRVHQGPVTME-PWSUYJOCSA-N 1 0 242.388 2.010 50 30 BEEARO C=CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000040017920 132223431 /nfs/dbraw/zinc/22/34/31/132223431.db2.gz QGNTZEJIQMEICD-UHFFFAOYSA-N 1 0 216.328 2.303 50 30 BEEARO CC(C)CC1(CNC(=[NH2+])N(C)C)CCCC1 ZINC000087001788 487597960 /nfs/dbraw/zinc/59/79/60/487597960.db2.gz CIHRJEWUTMUYFF-UHFFFAOYSA-N 1 0 225.380 2.469 50 30 BEEARO C=CCC[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000079014093 166263563 /nfs/dbraw/zinc/26/35/63/166263563.db2.gz MSISGWIITXBEFG-UHFFFAOYSA-N 1 0 246.354 2.086 50 30 BEEARO C=CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010334367 166391368 /nfs/dbraw/zinc/39/13/68/166391368.db2.gz SHXOXFBCQUDPTF-UHFFFAOYSA-N 1 0 244.338 2.198 50 30 BEEARO C=CC[NH2+]C/C=C/COc1ccccc1 ZINC000012343795 166396683 /nfs/dbraw/zinc/39/66/83/166396683.db2.gz JRIWOILFUKJKDY-VOTSOKGWSA-N 1 0 203.285 2.397 50 30 BEEARO N#Cc1cccc(C[N@H+]2CCCCC[C@@H]2CO)c1 ZINC000133522113 411185904 /nfs/dbraw/zinc/18/59/04/411185904.db2.gz KOCLQJDRXICCKW-OAHLLOKOSA-N 1 0 244.338 2.295 50 30 BEEARO CC1=C[C@H](C)[C@@H](/C=[NH+]/n2cnnc2)[C@H](C)C1 ZINC000000493997 168130283 /nfs/dbraw/zinc/13/02/83/168130283.db2.gz UAUNHPQNZAJKTA-FVPDNGAESA-N 1 0 218.304 2.350 50 30 BEEARO CCOCC[N@H+](C)Cc1cc(C#N)cs1 ZINC000096499942 170389760 /nfs/dbraw/zinc/38/97/60/170389760.db2.gz DIRDSLWCVQBKMQ-UHFFFAOYSA-N 1 0 224.329 2.088 50 30 BEEARO CC[C@@](C)(C#CC[NH+]1CCCC1)OCCC#N ZINC000002296069 171162618 /nfs/dbraw/zinc/16/26/18/171162618.db2.gz WELKEPIWDTYCGL-AWEZNQCLSA-N 1 0 234.343 2.185 50 30 BEEARO C[NH+](C)CC=CC(=O)C#Cc1ccccc1 ZINC000102295947 172351137 /nfs/dbraw/zinc/35/11/37/172351137.db2.gz BEWJFTPCXCBHNS-WUXMJOGZSA-N 1 0 213.280 2.073 50 30 BEEARO C[NH+](C)/C=C/c1c(C#N)c(=O)oc2ccccc12 ZINC000052533787 172351414 /nfs/dbraw/zinc/35/14/14/172351414.db2.gz SBSNFPPMACYWTG-BQYQJAHWSA-N 1 0 240.262 2.197 50 30 BEEARO C[NH+](C)CCCNc1cccc(F)c1C#N ZINC000002577680 172443122 /nfs/dbraw/zinc/44/31/22/172443122.db2.gz QOAPAPQPNXREAZ-UHFFFAOYSA-N 1 0 221.279 2.061 50 30 BEEARO C[N@@H+]1CCCN(c2ccc(C#N)cc2Cl)CC1 ZINC000062793617 173015712 /nfs/dbraw/zinc/01/57/12/173015712.db2.gz PEIQRDFWKKDICG-UHFFFAOYSA-N 1 0 249.745 2.354 50 30 BEEARO CN1CCS/C1=[NH+]\Cc1ccccc1 ZINC000003378456 173109747 /nfs/dbraw/zinc/10/97/47/173109747.db2.gz RIARHCXRZZZOOE-QXMHVHEDSA-N 1 0 206.314 2.221 50 30 BEEARO COC(=O)c1oc2ccccc2c1/[NH+]=C/N(C)C ZINC000006830308 173920160 /nfs/dbraw/zinc/92/01/60/173920160.db2.gz AKXCKWLQTUKMEJ-RIYZIHGNSA-N 1 0 246.266 2.441 50 30 BEEARO COc1ccc(C(=O)/C=C/[n+]2ccccc2)cc1 ZINC000004276979 175053158 /nfs/dbraw/zinc/05/31/58/175053158.db2.gz KYTWNPGECSILFI-FMIVXFBMSA-N 1 0 240.282 2.336 50 30 BEEARO COc1cccc(/C=N/N=N/[N+](C)(C)C)c1 ZINC000022018732 175240305 /nfs/dbraw/zinc/24/03/05/175240305.db2.gz RZGOXNVGJZNYDD-KAQIVPQOSA-N 1 0 221.284 2.103 50 30 BEEARO C[C@H]1CCN(CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000076089728 177157427 /nfs/dbraw/zinc/15/74/27/177157427.db2.gz XYLHTFXAUIULGD-AWEZNQCLSA-N 1 0 243.354 2.106 50 30 BEEARO CC[C@@H]1CCC[C@@H](C[NH+]2CCN(CC#N)CC2)C1 ZINC000097372965 322987539 /nfs/dbraw/zinc/98/75/39/322987539.db2.gz NSRJMPYFDGRBMZ-HUUCEWRRSA-N 1 0 249.402 2.344 50 30 BEEARO CC[C@H]1CCC[C@@H](C[NH+]2CCN(CC#N)CC2)C1 ZINC000097372966 322987563 /nfs/dbraw/zinc/98/75/63/322987563.db2.gz NSRJMPYFDGRBMZ-LSDHHAIUSA-N 1 0 249.402 2.344 50 30 BEEARO C[N@H+](Cc1cccc(C#N)c1)CC1(CO)CCC1 ZINC000670444599 487492139 /nfs/dbraw/zinc/49/21/39/487492139.db2.gz PGVXIBYQNABXGB-UHFFFAOYSA-N 1 0 244.338 2.153 50 30 BEEARO CCN(CC)C(=[NH2+])NCc1ccc(C)cc1 ZINC000252535775 520437102 /nfs/dbraw/zinc/43/71/02/520437102.db2.gz GVWHDLLSLUBGSF-UHFFFAOYSA-N 1 0 219.332 2.152 50 30 BEEARO C#Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2O)cc1 ZINC000253430320 518359483 /nfs/dbraw/zinc/35/94/83/518359483.db2.gz QHVFNCQWGGNMKM-GJZGRUSLSA-N 1 0 229.323 2.061 50 30 BEEARO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCC[C@H]1O ZINC000245339431 518721171 /nfs/dbraw/zinc/72/11/71/518721171.db2.gz SSINQUWNROJDAW-RWMBFGLXSA-N 1 0 211.349 2.482 50 30 BEEARO CCCOc1ccc(CNC(=[NH2+])NC2CC2)cc1 ZINC000252484303 520340578 /nfs/dbraw/zinc/34/05/78/520340578.db2.gz FUAIWEJEDBLATN-UHFFFAOYSA-N 1 0 247.342 2.042 50 30 BEEARO CO[C@@H](C)CNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000189389890 523360931 /nfs/dbraw/zinc/36/09/31/523360931.db2.gz VJMBGCZPXARWIR-NSHDSACASA-N 1 0 235.331 2.065 50 30 BEEARO C[N@@+]12CCCC[C@H]1[C@@H](COCCC#N)CCC2 ZINC000252462129 525360178 /nfs/dbraw/zinc/36/01/78/525360178.db2.gz QARMSOSZILCYGF-YCPHGPKFSA-N 1 0 237.367 2.326 50 30 biogenic BEEARO C=Cn1cc[n+](CC(=O)c2ccc(Cl)cc2)c1 ZINC000002290660 526286923 /nfs/dbraw/zinc/28/69/23/526286923.db2.gz SQDVUVLPAYYXEL-UHFFFAOYSA-N 1 0 247.705 2.412 50 30 BEEARO C[C@@H](C#N)C[NH2+]C1CCC2(CSC2)CC1 ZINC000952995655 644452320 /nfs/dbraw/zinc/45/23/20/644452320.db2.gz TZELVMKBKPAUKN-JTQLQIEISA-N 1 0 224.373 2.411 50 30 BEEARO C=CCOc1ccc(OCC[NH2+]CC)cc1 ZINC000006703234 644533485 /nfs/dbraw/zinc/53/34/85/644533485.db2.gz LOMQKBPWADHQJQ-UHFFFAOYSA-N 1 0 221.300 2.240 50 30 BEEARO C#Cc1ccc(C[NH2+][C@H](C)[C@H]2CCOC2)cc1 ZINC000585079554 972112456 /nfs/dbraw/zinc/11/24/56/972112456.db2.gz YCGABWSJSUBJRD-DOMZBBRYSA-N 1 0 229.323 2.183 50 30 BEEARO Cc1cc[n+](CC(=O)c2ccc(F)cc2)cc1 ZINC000001595144 178308540 /nfs/dbraw/zinc/30/85/40/178308540.db2.gz KMCGMQZGLYJTBQ-UHFFFAOYSA-N 1 0 230.262 2.305 50 30 BEEARO O=[N+](Cc1ccccc1)[C@H]1CCCCC1=NO ZINC000016102149 342906245 /nfs/dbraw/zinc/90/62/45/342906245.db2.gz RWKLIXDNULITAC-SJBDGRJTSA-N 1 0 232.283 2.389 50 30 BEEARO C[N+](=O)Cc1ccc(Br)cc1 ZINC000031830137 398327758 /nfs/dbraw/zinc/32/77/58/398327758.db2.gz ADWKSSPOYGEMKW-UXBLZVDNSA-N 1 0 214.062 2.008 50 30 BEEARO CC1(C)CN(Cc2ccc(C#N)cc2F)CCO1 ZINC000030196541 343161025 /nfs/dbraw/zinc/16/10/25/343161025.db2.gz OVTDCMMOUYFNEB-UHFFFAOYSA-N 1 0 248.301 2.308 50 30 BEEARO C=C(C)C[N@H+](Cc1ccccc1)[C@H](C)CO ZINC000096441567 343738708 /nfs/dbraw/zinc/73/87/08/343738708.db2.gz MYHYQOWBBYZIDE-CYBMUJFWSA-N 1 0 219.328 2.446 50 30 BEEARO C[NH+]1CCC(N=Nc2nc3ccccc3[nH]2)CC1 ZINC000004864249 344747161 /nfs/dbraw/zinc/74/71/61/344747161.db2.gz QCCXEYHQHRKZFA-UHFFFAOYSA-N 1 0 243.314 2.056 50 30 BEEARO C=C1[NH+]2CCC(CC2)[C@]1(O)c1ccccc1 ZINC000000260935 346406083 /nfs/dbraw/zinc/40/60/83/346406083.db2.gz ZZNFAHFZYUQEAO-CQSZACIVSA-N 1 0 215.296 2.114 50 30 BEEARO C=CCC[C@H](C)[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000097375033 166300584 /nfs/dbraw/zinc/30/05/84/166300584.db2.gz BRRIMTBJBRJNGL-XQQFMLRXSA-N 1 0 211.349 2.482 50 30 BEEARO C=CCc1ccccc1O[C@@H](C)C1=[NH+]CCN1 ZINC000040957102 352600065 /nfs/dbraw/zinc/60/00/65/352600065.db2.gz MNMDMCKHXVHLAW-NSHDSACASA-N 1 0 230.311 2.184 50 30 BEEARO CC(C)(C)C#CC[NH2+]C[C@@H](O)c1ccccc1 ZINC000020654089 188104081 /nfs/dbraw/zinc/10/40/81/188104081.db2.gz BVZPXAPTCMDWJQ-CQSZACIVSA-N 1 0 231.339 2.359 50 30 BEEARO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CO)c(F)c1 ZINC000042338685 188119300 /nfs/dbraw/zinc/11/93/00/188119300.db2.gz NPTDRKHYHIVVTC-CYBMUJFWSA-N 1 0 248.301 2.044 50 30 BEEARO N#Cc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000004841126 181127401 /nfs/dbraw/zinc/12/74/01/181127401.db2.gz IHUHHDZOKYZNOQ-UHFFFAOYSA-N 1 0 230.311 2.423 50 30 BEEARO COc1ccc(OCC#CC[NH+]2CCCC2)cc1 ZINC000004985838 355354792 /nfs/dbraw/zinc/35/47/92/355354792.db2.gz MRHRINWJFUIVPK-UHFFFAOYSA-N 1 0 245.322 2.173 50 30 BEEARO C=C1OC(=O)OC12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000000053017 355890455 /nfs/dbraw/zinc/89/04/55/355890455.db2.gz PLGIHJGZMPBQPC-UHFFFAOYSA-N 1 0 225.288 2.346 50 30 BEEARO CCCCCCCCCc1c(=[NH2+])o[n-][n+]1C ZINC000136666224 368418926 /nfs/dbraw/zinc/41/89/26/368418926.db2.gz UCDNYHOKCYPHCZ-UHFFFAOYSA-N 1 0 226.344 2.205 50 30 BEEARO O=C1CCCC(=O)C1[C@@H]1[NH2+]CCc2ccccc21 ZINC000020389218 371277956 /nfs/dbraw/zinc/27/79/56/371277956.db2.gz ICRXRMSBNBVACL-OAHLLOKOSA-N 1 0 243.306 2.439 50 30 BEEARO CN(C)C(=[NH2+])NCCCSc1ccccc1 ZINC000225545188 371554322 /nfs/dbraw/zinc/55/43/22/371554322.db2.gz NHQFUXCWWSAWRW-UHFFFAOYSA-N 1 0 237.372 2.045 50 30 BEEARO CCC[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000047726343 169168306 /nfs/dbraw/zinc/16/83/06/169168306.db2.gz VYIUSMOQVQNVLB-UHFFFAOYSA-N 1 0 232.327 2.417 50 30 BEEARO C[C@@H](CC#CC[NH+]1CCCCC1)OCCC#N ZINC000002933079 383992106 /nfs/dbraw/zinc/99/21/06/383992106.db2.gz DTQNIDYRHUKRAZ-AWEZNQCLSA-N 1 0 234.343 2.185 50 30 BEEARO C#CC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000071897143 384038587 /nfs/dbraw/zinc/03/85/87/384038587.db2.gz CSLOBAHCUFUMMA-UHFFFAOYSA-N 1 0 239.322 2.376 50 30 BEEARO O=C[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000038478289 384083137 /nfs/dbraw/zinc/08/31/37/384083137.db2.gz ZXLSORCCVKGQBQ-AWEZNQCLSA-N 1 0 217.312 2.488 50 30 BEEARO C=CCCOC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000408525655 384290166 /nfs/dbraw/zinc/29/01/66/384290166.db2.gz OSEBWFFWGVZLFI-NSHDSACASA-N 1 0 213.321 2.117 50 30 BEEARO C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(C#N)cc1 ZINC000183586094 385686798 /nfs/dbraw/zinc/68/67/98/385686798.db2.gz AUKSZFPGGAWDSS-CORIIIEPSA-N 1 0 242.322 2.146 50 30 BEEARO C[C@@H](CC#N)[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000585116392 386671666 /nfs/dbraw/zinc/67/16/66/386671666.db2.gz TXRBZUCEBLIPBP-JTQLQIEISA-N 1 0 249.289 2.046 50 30 BEEARO Cc1n[nH]cc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000038011562 388239886 /nfs/dbraw/zinc/23/98/86/388239886.db2.gz QACNKAWJEPQQEY-SNVBAGLBSA-N 1 0 240.310 2.441 50 30 BEEARO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccco1 ZINC000089967885 388378058 /nfs/dbraw/zinc/37/80/58/388378058.db2.gz IOBMXATXORJXHO-GFCCVEGCSA-N 1 0 249.310 2.170 50 30 BEEARO CCCCCCNC(=[NH2+])NCc1nccs1 ZINC000071847244 388446706 /nfs/dbraw/zinc/44/67/06/388446706.db2.gz XANYBLNIZRUNHJ-UHFFFAOYSA-N 1 0 240.376 2.128 50 30 BEEARO Cc1ccc(C(=O)C[n+]2ccccc2)cc1 ZINC000001667431 388611875 /nfs/dbraw/zinc/61/18/75/388611875.db2.gz QHYBBPZKHBFQKC-UHFFFAOYSA-N 1 0 212.272 2.165 50 30 BEEARO CC1(C)Cc2c(C#N)c(N)sc2C(C)(C)[NH2+]1 ZINC000000290534 388614114 /nfs/dbraw/zinc/61/41/14/388614114.db2.gz BIQIPEZBYIQBPM-UHFFFAOYSA-N 1 0 235.356 2.361 50 30 BEEARO C=CCC[C@H](CC)[NH2+]C[C@H]1CCC[C@@H]1O ZINC000096478699 166301727 /nfs/dbraw/zinc/30/17/27/166301727.db2.gz SSINQUWNROJDAW-AGIUHOORSA-N 1 0 211.349 2.482 50 30 BEEARO C=CC[N@@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000048343691 166323503 /nfs/dbraw/zinc/32/35/03/166323503.db2.gz IYOFMUVHZOJOAB-UHFFFAOYSA-N 1 0 221.300 2.322 50 30 BEEARO C=CC[NH+](CC=C)C[C@@H](O)COc1ccccc1 ZINC000002638978 166333942 /nfs/dbraw/zinc/33/39/42/166333942.db2.gz JRGMLYQFVCUDCG-CQSZACIVSA-N 1 0 247.338 2.100 50 30 BEEARO C=CCN1c2ccccc2N2CCC[NH+]=C12 ZINC000004663171 166354114 /nfs/dbraw/zinc/35/41/14/166354114.db2.gz FCUHMNHYEWBNGD-UHFFFAOYSA-N 1 0 213.284 2.259 50 30 BEEARO C=CCN1CC[N@H+](CC=C)[C@H](CCC)C1 ZINC000089950026 166355808 /nfs/dbraw/zinc/35/58/08/166355808.db2.gz WOIOWEAZWCPXIP-CYBMUJFWSA-N 1 0 208.349 2.145 50 30 BEEARO C[C@@H](CC#N)[NH+]1CCC(C2CCOCC2)CC1 ZINC000104314232 410931614 /nfs/dbraw/zinc/93/16/14/410931614.db2.gz RUPYSIYOSHHHSK-LBPRGKRZSA-N 1 0 236.359 2.427 50 30 BEEARO N#CC[C@H](C1CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000108331673 411144393 /nfs/dbraw/zinc/14/43/93/411144393.db2.gz WJQXSBRRNZYITM-UKRRQHHQSA-N 1 0 247.386 2.096 50 30 BEEARO CC[C@H](C)NC(=[NH2+])NCc1ccc(OC)c(C)c1 ZINC000069770167 171246638 /nfs/dbraw/zinc/24/66/38/171246638.db2.gz WSCMZSPUNUWFSK-NSHDSACASA-N 1 0 249.358 2.206 50 30 BEEARO CCc1ccccc1CNC(=[NH2+])NC(C)(C)C ZINC000084204881 171875656 /nfs/dbraw/zinc/87/56/56/171875656.db2.gz FKWVOGLFWXEQAP-UHFFFAOYSA-N 1 0 233.359 2.452 50 30 BEEARO CN(C)/C=[NH+]/c1c(C=O)n(C)c2ccc(F)cc12 ZINC000100978973 172352064 /nfs/dbraw/zinc/35/20/64/172352064.db2.gz CICHPLOOSMTPSX-OVCLIPMQSA-N 1 0 247.273 2.351 50 30 BEEARO CN1CCS/C1=[NH+]/Cc1ccccc1 ZINC000105788146 173110710 /nfs/dbraw/zinc/11/07/10/173110710.db2.gz RIARHCXRZZZOOE-VAWYXSNFSA-N 1 0 206.314 2.221 50 30 BEEARO C[NH2+]CC#CCOc1ccc(C)cc1Cl ZINC000016624311 173324481 /nfs/dbraw/zinc/32/44/81/173324481.db2.gz PWARHBRPBWXXAW-UHFFFAOYSA-N 1 0 223.703 2.250 50 30 BEEARO COc1ccc(/C=N/O)cc1C[NH+]1CCCCC1 ZINC000020096662 175048815 /nfs/dbraw/zinc/04/88/15/175048815.db2.gz DAQQEJKHJZGGRS-XNTDXEJSSA-N 1 0 248.326 2.489 50 30 BEEARO C[C@@](CO)([NH2+]CCCC#N)C1CCCCC1 ZINC000076020075 176510248 /nfs/dbraw/zinc/51/02/48/176510248.db2.gz IIOHTVNSIAAYMV-ZDUSSCGKSA-N 1 0 224.348 2.211 50 30 BEEARO C[C@H](O)[C@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000097162231 177015095 /nfs/dbraw/zinc/01/50/95/177015095.db2.gz FTCRBVXASDEVFN-STQMWFEESA-N 1 0 238.375 2.409 50 30 BEEARO CC[C@H]1CCC[C@H](C[NH+]2CCN(CC#N)CC2)C1 ZINC000097372964 322987541 /nfs/dbraw/zinc/98/75/41/322987541.db2.gz NSRJMPYFDGRBMZ-GJZGRUSLSA-N 1 0 249.402 2.344 50 30 BEEARO CO[C@@H](C)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000164074132 487508118 /nfs/dbraw/zinc/50/81/18/487508118.db2.gz FTWXTJGGQNSKAI-WDEREUQCSA-N 1 0 218.300 2.244 50 30 BEEARO C=CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C ZINC000249363874 518728385 /nfs/dbraw/zinc/72/83/85/518728385.db2.gz UCHFAPPOLLSUKR-FRRDWIJNSA-N 1 0 211.349 2.482 50 30 BEEARO CNC(=[NH2+])NCC(C)(C)c1ccc(Cl)cc1 ZINC000253416639 523671951 /nfs/dbraw/zinc/67/19/51/523671951.db2.gz WDEMACLWODRJOH-UHFFFAOYSA-N 1 0 239.750 2.152 50 30 BEEARO C[NH+]1CCC(N=Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000328578074 523747120 /nfs/dbraw/zinc/74/71/20/523747120.db2.gz WGEJFXFMJCMLQB-UHFFFAOYSA-N 1 0 248.286 2.088 50 30 BEEARO CCNC(NCc1ccc(C)cc1)=[NH+]CC ZINC000058166029 635291892 /nfs/dbraw/zinc/29/18/92/635291892.db2.gz QQHWQHITZVTREN-UHFFFAOYSA-N 1 0 219.332 2.070 50 30 BEEARO COc1cccc(N=NC2C[NH+]3CCC2CC3)c1 ZINC000915049206 641794755 /nfs/dbraw/zinc/79/47/55/641794755.db2.gz OQJQXJQUTPGKLU-UHFFFAOYSA-N 1 0 245.326 2.189 50 30 BEEARO C=CCNC(NCc1cccs1)=[NH+]CC=C ZINC000078752012 641950680 /nfs/dbraw/zinc/95/06/80/641950680.db2.gz IJQOXXIXNSVYQB-UHFFFAOYSA-N 1 0 235.356 2.155 50 30 BEEARO CC[NH+](CC)CC#CC(CC)(CC)OC(C)=O ZINC000002491041 642387882 /nfs/dbraw/zinc/38/78/82/642387882.db2.gz NSSCXPXVNZIJIQ-UHFFFAOYSA-N 1 0 239.359 2.454 50 30 BEEARO C#CCC[NH2+][C@@H](C)Cc1ccccc1F ZINC000162538641 538923304 /nfs/dbraw/zinc/92/33/04/538923304.db2.gz BSTBEHWQVJAFJA-NSHDSACASA-N 1 0 205.276 2.370 50 30 BEEARO Cc1cc(SCC[NH+](C)C)c(C#N)c(C)n1 ZINC000095418994 178218102 /nfs/dbraw/zinc/21/81/02/178218102.db2.gz OKJNGLQCMCJBAU-UHFFFAOYSA-N 1 0 235.356 2.224 50 30 BEEARO Cc1cc[n+](CC(=O)Nc2ccccc2F)cc1 ZINC000005793408 178309334 /nfs/dbraw/zinc/30/93/34/178309334.db2.gz SJMJBWWZXASOJC-UHFFFAOYSA-O 1 0 245.277 2.060 50 30 BEEARO Cn1c[n+](N=Cc2ccccc2)c2ccccc21 ZINC000000348778 342684687 /nfs/dbraw/zinc/68/46/87/342684687.db2.gz LZKFGLCPACZYBG-LFIBNONCSA-N 1 0 236.298 2.348 50 30 BEEARO C[C@H](CC#CC[NH+]1CCCCC1)OCCC#N ZINC000002933081 342728338 /nfs/dbraw/zinc/72/83/38/342728338.db2.gz DTQNIDYRHUKRAZ-CQSZACIVSA-N 1 0 234.343 2.185 50 30 BEEARO COc1cc(C#CC[NH+]2CCCCC2)ccc1O ZINC000003683719 342736784 /nfs/dbraw/zinc/73/67/84/342736784.db2.gz IMUHSKPHUKXOPM-UHFFFAOYSA-N 1 0 245.322 2.238 50 30 BEEARO CCOCc1ccc(CNC(=[NH2+])NC(C)C)cc1 ZINC000072272459 343127090 /nfs/dbraw/zinc/12/70/90/343127090.db2.gz CIXXAYDRZYGOPD-UHFFFAOYSA-N 1 0 249.358 2.036 50 30 BEEARO CSc1nc(-c2ccc[n+](C)c2)ccc1C#N ZINC000000507640 346936022 /nfs/dbraw/zinc/93/60/22/346936022.db2.gz PCKYHDDEMFDQAO-UHFFFAOYSA-N 1 0 242.327 2.167 50 30 BEEARO C[C@@H](O)C#CC[N@@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000000526010 346977607 /nfs/dbraw/zinc/97/76/07/346977607.db2.gz SNUQBXRXMIXVHA-UMVBOHGHSA-N 1 0 235.371 2.271 50 30 biogenic BEEARO CCN(CC)/C(=[NH+]/c1ccccc1)n1cncn1 ZINC000004769690 344197370 /nfs/dbraw/zinc/19/73/70/344197370.db2.gz KMWFEGMDWYINBT-SSZFMOIBSA-N 1 0 243.314 2.156 50 30 BEEARO CCNC(NCCC1=CCCCC1)=[NH+]C ZINC000073448791 345093885 /nfs/dbraw/zinc/09/38/85/345093885.db2.gz WLNJLQKMWYIVMT-UHFFFAOYSA-N 1 0 209.337 2.062 50 30 BEEARO N#[N+]N=C(NO)c1ccc([N+](=O)[O-])cc1 ZINC000212119722 538068787 /nfs/dbraw/zinc/06/87/87/538068787.db2.gz PDXMNVSJZOTCEZ-JXMROGBWSA-N 1 0 207.149 2.041 50 30 BEEARO C=C(Cl)CN1CCC([NH+]2CCCC2)CC1 ZINC000051952359 187531332 /nfs/dbraw/zinc/53/13/32/187531332.db2.gz MFSCSUHSFSJUSU-UHFFFAOYSA-N 1 0 228.767 2.299 50 30 BEEARO N#CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000065605759 188129687 /nfs/dbraw/zinc/12/96/87/188129687.db2.gz ZDQRMIXOMTUPAN-AWEZNQCLSA-N 1 0 235.375 2.098 50 30 BEEARO CSC(=Nc1ccccc1F)[NH+]=CN(C)C ZINC000095691581 188146578 /nfs/dbraw/zinc/14/65/78/188146578.db2.gz KBIOJRINECCUEA-UHFFFAOYSA-O 1 0 240.327 2.257 50 30 BEEARO C=C(C)COCC[NH2+][C@H]1CCCSC1 ZINC000097370851 188189204 /nfs/dbraw/zinc/18/92/04/188189204.db2.gz DYVYDGVSMPFSQI-NSHDSACASA-N 1 0 215.362 2.064 50 30 BEEARO C[N@H+](CCCC#N)Cc1cccc(C#N)c1 ZINC000045915395 353281050 /nfs/dbraw/zinc/28/10/50/353281050.db2.gz AXYVBDKGICOMGI-UHFFFAOYSA-N 1 0 213.284 2.294 50 30 BEEARO C=CCOc1ccc(CN(C)[C@H](C)C[NH3+])cc1 ZINC000097162645 188224453 /nfs/dbraw/zinc/22/44/53/188224453.db2.gz VQVYZGKSYHFDEC-GFCCVEGCSA-N 1 0 234.343 2.030 50 30 BEEARO Fc1ccccc1C[C@H]1[NH+]2CCC(CC2)[C@@]12CO2 ZINC000004085378 181014150 /nfs/dbraw/zinc/01/41/50/181014150.db2.gz AYSSNEXAHXRWHG-CABCVRRESA-N 1 0 247.313 2.231 50 30 BEEARO N#CC[n+]1cc(-c2ccc(F)cc2)n2c1CCC2 ZINC000017246609 181047493 /nfs/dbraw/zinc/04/74/93/181047493.db2.gz LKYSLBGUNOXDNA-UHFFFAOYSA-N 1 0 242.277 2.051 50 30 BEEARO N#Cc1ccc(CC2CC[NH2+]CC2)cc1 ZINC000035571864 181102245 /nfs/dbraw/zinc/10/22/45/181102245.db2.gz VSCRAHWABGGGID-UHFFFAOYSA-N 1 0 200.285 2.100 50 30 BEEARO N#Cc1ccc(C[NH+]2CCSCC2)cc1 ZINC000020257268 181105695 /nfs/dbraw/zinc/10/56/95/181105695.db2.gz NCPXDIHXYICENJ-UHFFFAOYSA-N 1 0 218.325 2.107 50 30 BEEARO N#Cc1ccc(CSC2=[NH+]CCCN2)cc1 ZINC000000136829 181110957 /nfs/dbraw/zinc/11/09/57/181110957.db2.gz ANXOLRLMADEHTF-UHFFFAOYSA-N 1 0 231.324 2.141 50 30 BEEARO N#Cc1ccc(OC2CC[NH2+]CC2)cc1Cl ZINC000012359705 181127412 /nfs/dbraw/zinc/12/74/12/181127412.db2.gz AZTMLAAAPWXHMV-UHFFFAOYSA-N 1 0 236.702 2.342 50 30 BEEARO N#Cc1cccc(C[N@@H+]2CCC[C@H]3OCC[C@H]32)c1 ZINC000241124215 181137236 /nfs/dbraw/zinc/13/72/36/181137236.db2.gz JGLFHXYTQKOVTJ-HUUCEWRRSA-N 1 0 242.322 2.312 50 30 BEEARO C=CCc1ccccc1OC[C@@H](O)C[NH2+]C(C)C ZINC000000086599 355890296 /nfs/dbraw/zinc/89/02/96/355890296.db2.gz PAZJSJFMUHDSTF-AWEZNQCLSA-N 1 0 249.354 2.153 50 30 world BEEARO C=CCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000095948284 538610114 /nfs/dbraw/zinc/61/01/14/538610114.db2.gz VALQMVYLLDFKOF-UHFFFAOYSA-N 1 0 215.300 2.088 50 30 BEEARO COC(=O)C[N+]1(CC=C(C)C)CCCCC1 ZINC000001830305 358955895 /nfs/dbraw/zinc/95/58/95/358955895.db2.gz WWHWAODBURXLAT-UHFFFAOYSA-N 1 0 226.340 2.126 50 30 BEEARO C#CCOCC[NH2+]C1CCCCCCC1 ZINC000170076359 361387702 /nfs/dbraw/zinc/38/77/02/361387702.db2.gz LLRCXAKFSAIYSS-UHFFFAOYSA-N 1 0 209.333 2.339 50 30 BEEARO Cc1c([C@H](C)[NH3+])cnn1-c1ccc(C#N)cc1 ZINC000037065014 361623041 /nfs/dbraw/zinc/62/30/41/361623041.db2.gz VBPOLTCBZHSYAU-VIFPVBQESA-N 1 0 226.283 2.072 50 30 BEEARO CC[NH+](CC)CCOc1ccccc1/C=N/O ZINC000011799554 370757071 /nfs/dbraw/zinc/75/70/71/370757071.db2.gz AUHQVCIVWACEMS-SDNWHVSQSA-N 1 0 236.315 2.215 50 30 BEEARO CC[NH+](CC)CCOc1ccc(C#N)cc1OC ZINC000011993709 370805528 /nfs/dbraw/zinc/80/55/28/370805528.db2.gz CEFFQAJWMQKPCM-UHFFFAOYSA-N 1 0 248.326 2.287 50 30 BEEARO O=C(C[n+]1ccncc1)c1ccc2ccccc2c1 ZINC000001667267 182032719 /nfs/dbraw/zinc/03/27/19/182032719.db2.gz GVGBPLRCICSARU-UHFFFAOYSA-N 1 0 249.293 2.405 50 30 BEEARO N#CCCCC[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000071875745 374320007 /nfs/dbraw/zinc/32/00/07/374320007.db2.gz IPKGSJBMXQWZFR-CYBMUJFWSA-N 1 0 232.331 2.041 50 30 BEEARO C=C(C)C[NH2+]C[C@H]1OCCc2ccccc21 ZINC000000168994 383855686 /nfs/dbraw/zinc/85/56/86/383855686.db2.gz GTSIPQNNVZDQNP-CQSZACIVSA-N 1 0 217.312 2.466 50 30 biogenic BEEARO C[NH+](C)[C@H]1CCC[C@@H](Nc2cc(C#N)ccn2)C1 ZINC000283914966 383932238 /nfs/dbraw/zinc/93/22/38/383932238.db2.gz WSFGWWCASQFROQ-OLZOCXBDSA-N 1 0 244.342 2.238 50 30 BEEARO C[NH+](C)[C@@H]1CCC[C@H](Nc2cc(C#N)ccn2)C1 ZINC000283914988 383933185 /nfs/dbraw/zinc/93/31/85/383933185.db2.gz WSFGWWCASQFROQ-QWHCGFSZSA-N 1 0 244.342 2.238 50 30 BEEARO Cc1ccc(C(=O)C[n+]2ccccc2)c(C)c1 ZINC000004671207 384075370 /nfs/dbraw/zinc/07/53/70/384075370.db2.gz BQNSDTNTMCAHAC-UHFFFAOYSA-N 1 0 226.299 2.474 50 30 BEEARO C#CC[N@H+]1CCC[C@]2(CCOC(C)(C)C2)C1 ZINC000061999348 385023846 /nfs/dbraw/zinc/02/38/46/385023846.db2.gz ORIYYODJNDTELE-CQSZACIVSA-N 1 0 221.344 2.291 50 30 biogenic BEEARO C=C(Cl)C[N@H+]1CC[C@@H](CSC)C1 ZINC000096417920 385140539 /nfs/dbraw/zinc/14/05/39/385140539.db2.gz XXESZRMPOVDMFZ-SECBINFHSA-N 1 0 205.754 2.424 50 30 BEEARO C[n+]1ccc(C(=O)Nc2ccccc2)cc1 ZINC000054106066 387137966 /nfs/dbraw/zinc/13/79/66/387137966.db2.gz MUJRKENZZPSDKS-UHFFFAOYSA-O 1 0 213.260 2.147 50 30 BEEARO C=C(C)C[N@@H+](CCO)Cc1ccccc1OC ZINC000069492651 388417969 /nfs/dbraw/zinc/41/79/69/388417969.db2.gz OHWPGDCHATWDQP-UHFFFAOYSA-N 1 0 235.327 2.066 50 30 BEEARO C=C(Cl)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000069520481 388418785 /nfs/dbraw/zinc/41/87/85/388418785.db2.gz XNOLKDYRGVZHRN-GFCCVEGCSA-N 1 0 228.767 2.299 50 30 BEEARO C=CCCCCC[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000194360196 388488137 /nfs/dbraw/zinc/48/81/37/388488137.db2.gz CQTIZVYLLGRCLH-OLZOCXBDSA-N 1 0 211.349 2.436 50 30 BEEARO C[N@H+](CCCC#N)C[C@H]1COc2ccccc2O1 ZINC000096905399 388827460 /nfs/dbraw/zinc/82/74/60/388827460.db2.gz IWNDWFDASAWHPX-LBPRGKRZSA-N 1 0 246.310 2.062 50 30 BEEARO CCCC1(C[NH+]=C(N(C)C)N(C)C)CC1 ZINC000097014708 388830193 /nfs/dbraw/zinc/83/01/93/388830193.db2.gz VLMCZHSPKTYDIG-UHFFFAOYSA-N 1 0 211.353 2.046 50 30 BEEARO C=C(C)C[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000058039037 132238053 /nfs/dbraw/zinc/23/80/53/132238053.db2.gz AIACNYCLTIISJY-UHFFFAOYSA-N 1 0 246.354 2.393 50 30 BEEARO C=CC[NH+]1CCC(Nc2ccc(F)cn2)CC1 ZINC000252497444 166352932 /nfs/dbraw/zinc/35/29/32/166352932.db2.gz QHXOXFOINBGNKQ-UHFFFAOYSA-N 1 0 235.306 2.283 50 30 BEEARO C=CC[NH2+]CC[C@@H]1CCC(=O)N1CCC(C)C ZINC000299780857 166399008 /nfs/dbraw/zinc/39/90/08/166399008.db2.gz DOFQVGQESJDXCO-ZDUSSCGKSA-N 1 0 238.375 2.189 50 30 BEEARO C=CCOC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000009970804 166421357 /nfs/dbraw/zinc/42/13/57/166421357.db2.gz BXKRJQGZBYTQRP-GFCCVEGCSA-N 1 0 243.391 2.354 50 30 BEEARO CC(=O)c1cc[n+](CC(=O)c2ccccc2)cc1 ZINC000005613445 166449799 /nfs/dbraw/zinc/44/97/99/166449799.db2.gz XAZYKVRWRBSGRC-UHFFFAOYSA-N 1 0 240.282 2.060 50 30 BEEARO CC[NH+](CC)CCOc1ccc(CC#N)cc1 ZINC000019502974 169783052 /nfs/dbraw/zinc/78/30/52/169783052.db2.gz YHEDWNVQINYMSD-UHFFFAOYSA-N 1 0 232.327 2.473 50 30 BEEARO C=C(Cl)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000046092755 411153669 /nfs/dbraw/zinc/15/36/69/411153669.db2.gz KPIMPCYPEUDOMT-SNVBAGLBSA-N 1 0 215.724 2.240 50 30 BEEARO CCOC(=O)C[N+](CC)(CC)CC=C(C)C ZINC000001837039 170234666 /nfs/dbraw/zinc/23/46/66/170234666.db2.gz FCXBZXZNDUROKG-UHFFFAOYSA-N 1 0 228.356 2.372 50 30 BEEARO CN(C)C(=[NH+]CCC1CCCC1)N(C)C ZINC000195529966 172353766 /nfs/dbraw/zinc/35/37/66/172353766.db2.gz RGJYGUCRWJHESD-UHFFFAOYSA-N 1 0 211.353 2.046 50 30 BEEARO CN(C[C@@H]1CC[N@H+](C)C1)c1cccc(F)c1C#N ZINC000069699392 173112972 /nfs/dbraw/zinc/11/29/72/173112972.db2.gz SQNAOIQELMGJQR-LLVKDONJSA-N 1 0 247.317 2.085 50 30 BEEARO COCCC[N@H+](C)Cc1cccc(C#N)c1 ZINC000051400921 174218868 /nfs/dbraw/zinc/21/88/68/174218868.db2.gz DPJRYMMANBNEII-UHFFFAOYSA-N 1 0 218.300 2.027 50 30 BEEARO COc1ccc(/C(C)=N/O)cc1C[NH+]1CCCC1 ZINC000012339736 175045378 /nfs/dbraw/zinc/04/53/78/175045378.db2.gz XWVMLDAUWHCXOV-RVDMUPIBSA-N 1 0 248.326 2.489 50 30 BEEARO C[C@@H]([NH2+]CCCCC#N)[C@H](C)n1cccn1 ZINC000069972429 176010906 /nfs/dbraw/zinc/01/09/06/176010906.db2.gz DLYGMRPNBXQQPH-NEPJUHHUSA-N 1 0 220.320 2.116 50 30 BEEARO C[C@@H]1CCC[C@@H](C)[NH+]1CC#CC(C)(C)O ZINC000000197975 176115543 /nfs/dbraw/zinc/11/55/43/176115543.db2.gz RCTTWLVFPRFKCS-VXGBXAGGSA-N 1 0 209.333 2.024 50 30 BEEARO Cc1cc(CNC(=[NH2+])N(C)C)ccc1Cl ZINC000195562121 487794629 /nfs/dbraw/zinc/79/46/29/487794629.db2.gz HAFRMMDKPYADLL-UHFFFAOYSA-N 1 0 225.723 2.025 50 30 BEEARO C=C(C)C[N@@H+]1CCC[C@H]1Cn1cc(C)cn1 ZINC000070039389 487799650 /nfs/dbraw/zinc/79/96/50/487799650.db2.gz KLGXMRROWHFCGT-ZDUSSCGKSA-N 1 0 219.332 2.232 50 30 BEEARO C#CC[N@@H+](Cc1cccnc1C)CC1CC1 ZINC000092099590 488081445 /nfs/dbraw/zinc/08/14/45/488081445.db2.gz VJKCNEOSIZQKDN-UHFFFAOYSA-N 1 0 214.312 2.235 50 30 BEEARO C=C(C)C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000181515529 490684222 /nfs/dbraw/zinc/68/42/22/490684222.db2.gz BJXIOTGJQMMGGK-GFCCVEGCSA-N 1 0 242.326 2.494 50 30 BEEARO C=CC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000097103764 491125120 /nfs/dbraw/zinc/12/51/20/491125120.db2.gz DALGVJGGVHEDMY-ZFWWWQNUSA-N 1 0 245.370 2.068 50 30 BEEARO C#CC[N@+](C)(CC#CC=C)Cc1ccccc1 ZINC000239296709 518339789 /nfs/dbraw/zinc/33/97/89/518339789.db2.gz DCWQKCLEHGONRL-QGZVFWFLSA-N 1 0 224.327 2.456 50 30 BEEARO C=CC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000328598353 518654372 /nfs/dbraw/zinc/65/43/72/518654372.db2.gz LSHKMQOKPXXMFF-JTQLQIEISA-N 1 0 224.329 2.493 50 30 BEEARO C=CCC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C ZINC000249363872 518727918 /nfs/dbraw/zinc/72/79/18/518727918.db2.gz UCHFAPPOLLSUKR-AGIUHOORSA-N 1 0 211.349 2.482 50 30 BEEARO CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000252480079 522020931 /nfs/dbraw/zinc/02/09/31/522020931.db2.gz BUERJAFMGPFVPK-XDQVBPFNSA-N 1 0 238.375 2.455 50 30 BEEARO COc1cnccc1[C@H](C)[NH2+]CCCC#N ZINC000187107334 524938258 /nfs/dbraw/zinc/93/82/58/524938258.db2.gz UCGQZFZBFSOXNT-JTQLQIEISA-N 1 0 219.288 2.045 50 30 BEEARO C[N@+]12CCCC[C@@H]1[C@H](COCCC#N)CCC2 ZINC000245232176 525358219 /nfs/dbraw/zinc/35/82/19/525358219.db2.gz QARMSOSZILCYGF-SQWLQELKSA-N 1 0 237.367 2.326 50 30 BEEARO O=C1C=C([NH2+]Nc2ccccc2)CCC1 ZINC000100491164 526960838 /nfs/dbraw/zinc/96/08/38/526960838.db2.gz YIUYAAMYUHSKDN-UHFFFAOYSA-N 1 0 202.257 2.240 50 30 BEEARO CC[NH+](CC)CC#C[C@](C)(OC(C)=O)C(C)C ZINC000002497877 642408165 /nfs/dbraw/zinc/40/81/65/642408165.db2.gz ZTGMHGJKNMMXKN-AWEZNQCLSA-N 1 0 239.359 2.309 50 30 BEEARO Cc1occc1CNC(NC1CC1)=[NH+]C(C)C ZINC000084044198 644415562 /nfs/dbraw/zinc/41/55/62/644415562.db2.gz WPUCMJBGCSUQTD-UHFFFAOYSA-N 1 0 235.331 2.194 50 30 BEEARO CC[C@H]1C=CC[N@@H+]1Cc1cc(C#CCO)cs1 ZINC000952969801 644446112 /nfs/dbraw/zinc/44/61/12/644446112.db2.gz BOLXFFUCDIDSQK-ZDUSSCGKSA-N 1 0 247.363 2.242 50 30 BEEARO C#CCC[C@@H](O)C[NH2+][C@@H](C)Cc1ccccc1F ZINC000717863030 712639095 /nfs/dbraw/zinc/63/90/95/712639095.db2.gz ZWSSZVHVIWXVFL-GXTWGEPZSA-N 1 0 249.329 2.121 50 30 BEEARO N#C[C@H](c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000071372541 398148064 /nfs/dbraw/zinc/14/80/64/398148064.db2.gz YDGDHTYZTPBCLZ-CHWSQXEVSA-N 1 0 200.285 2.436 50 30 in-vitro BEEARO CCN(CC)C(=O)C[n+]1csc2ccccc21 ZINC000002870858 342727573 /nfs/dbraw/zinc/72/75/73/342727573.db2.gz XMMCFJFIQWWHSX-UHFFFAOYSA-N 1 0 249.359 2.057 50 30 BEEARO CC[N@@H+]1CCCC[C@@H]1CNc1ccc(C#N)cn1 ZINC000071902743 342772036 /nfs/dbraw/zinc/77/20/36/342772036.db2.gz HSDFMFSQUGAZSC-CYBMUJFWSA-N 1 0 244.342 2.240 50 30 BEEARO CC[N@@H+]1CCCC[C@H]1CNc1ccc(C#N)cn1 ZINC000071902744 342772116 /nfs/dbraw/zinc/77/21/16/342772116.db2.gz HSDFMFSQUGAZSC-ZDUSSCGKSA-N 1 0 244.342 2.240 50 30 BEEARO CC1(C)C[N@H+](Cc2cccc(C#N)c2)C[C@]1(C)O ZINC000091819639 343657441 /nfs/dbraw/zinc/65/74/41/343657441.db2.gz BKGJRPQIPVWRNQ-HNNXBMFYSA-N 1 0 244.338 2.151 50 30 BEEARO CC(C)(C)C(=O)ONC(=[NH2+])Cc1ccccc1 ZINC000004723517 343975395 /nfs/dbraw/zinc/97/53/95/343975395.db2.gz HZUZNJUMPQBQMX-UHFFFAOYSA-N 1 0 234.299 2.091 50 30 BEEARO CC(C)[NH+]=C(NCc1ccsc1)N(C)C ZINC000072272451 537902666 /nfs/dbraw/zinc/90/26/66/537902666.db2.gz WOSYSHCBQWSKQZ-UHFFFAOYSA-N 1 0 225.361 2.164 50 30 BEEARO O=C(C[n+]1ccc2cccn2c1)c1ccccc1 ZINC000034466339 346290430 /nfs/dbraw/zinc/29/04/30/346290430.db2.gz POCYDDKQHFUEGQ-UHFFFAOYSA-N 1 0 237.282 2.110 50 30 BEEARO C[C@@]1([N+](=O)Cc2ccco2)CCCCC1=O ZINC000002285910 346506247 /nfs/dbraw/zinc/50/62/47/346506247.db2.gz FXFARYDDROZDQG-FNWMBBJUSA-N 1 0 221.256 2.111 50 30 BEEARO C=CCC[NH2+][C@@H](CO)c1cc(F)c(F)c(F)c1 ZINC000096500909 166266548 /nfs/dbraw/zinc/26/65/48/166266548.db2.gz QCGDIMBQOZIWCS-NSHDSACASA-N 1 0 245.244 2.303 50 30 BEEARO C=CCN1CCN(c2nc(C)cs2)[C@H](C)C1 ZINC000239653941 166356928 /nfs/dbraw/zinc/35/69/28/166356928.db2.gz BLVQZIMYOGHBBK-LLVKDONJSA-N 1 0 237.372 2.148 50 30 BEEARO C=C(Cl)C[N@H+]1CCCC[C@@H]1[C@H](O)CC ZINC000076325393 188116508 /nfs/dbraw/zinc/11/65/08/188116508.db2.gz SEAKPTHNCAOOEA-GHMZBOCLSA-N 1 0 217.740 2.364 50 30 BEEARO C=CCc1cc(OC)ccc1OCC[NH+](C)C ZINC000004907213 188156898 /nfs/dbraw/zinc/15/68/98/188156898.db2.gz BTUOJPZDMMKHIB-UHFFFAOYSA-N 1 0 235.327 2.364 50 30 BEEARO C=CCc1cc(OC)ccc1OCC[NH2+]CC ZINC000006703520 188157782 /nfs/dbraw/zinc/15/77/82/188157782.db2.gz MDBVJGLPRQQREZ-UHFFFAOYSA-N 1 0 235.327 2.412 50 30 BEEARO C=CCc1ccc(OC[C@@H]2CC[NH2+]C2)c(OC)c1 ZINC000042771252 188216998 /nfs/dbraw/zinc/21/69/98/188216998.db2.gz YHTHCUXIDANZLY-CYBMUJFWSA-N 1 0 247.338 2.412 50 30 BEEARO N#CCCC[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000097101733 181036504 /nfs/dbraw/zinc/03/65/04/181036504.db2.gz OQKHHWSDFZVYOK-QWHCGFSZSA-N 1 0 232.331 2.260 50 30 BEEARO C=CCNC(=[NH2+])N[C@H]1C[C@H]1C1CCCCC1 ZINC000170642335 363324129 /nfs/dbraw/zinc/32/41/29/363324129.db2.gz USRNBHCBLDEAOU-RYUDHWBXSA-N 1 0 221.348 2.046 50 30 BEEARO N#Cc1ccc(C[NH+]2CCCC2)c(F)c1 ZINC000019433717 355204314 /nfs/dbraw/zinc/20/43/14/355204314.db2.gz SBSPKINROBXQOS-UHFFFAOYSA-N 1 0 204.248 2.293 50 30 BEEARO N[NH+]=C1NC2(CCCCC2)Cc2ccccc21 ZINC000005731591 181184853 /nfs/dbraw/zinc/18/48/53/181184853.db2.gz WEDZEZCVYZZPRL-UHFFFAOYSA-N 1 0 229.327 2.156 50 30 BEEARO NC(=[NH2+])N=NC=C1CCc2ccccc2C1Cl ZINC000040829053 181187716 /nfs/dbraw/zinc/18/77/16/181187716.db2.gz OOCGRYVVXPBNID-FRKPEAEDSA-N 1 0 248.717 2.052 50 30 BEEARO C=CCC(O)(CC=C)[C@H]([NH3+])Cc1ccccc1 ZINC000000173962 355892851 /nfs/dbraw/zinc/89/28/51/355892851.db2.gz XPQQEJWDGKNROZ-CQSZACIVSA-N 1 0 231.339 2.440 50 30 BEEARO Cn1c[n+](Cc2ccc(C#N)cc2)c2ccccc21 ZINC000015952950 356636817 /nfs/dbraw/zinc/63/68/17/356636817.db2.gz RCKQSURTWAVRDQ-UHFFFAOYSA-N 1 0 248.309 2.386 50 30 BEEARO N#CCCN1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000069655558 219827719 /nfs/dbraw/zinc/82/77/19/219827719.db2.gz QYAXONHXFDJQNB-CQSZACIVSA-N 1 0 235.375 2.240 50 30 BEEARO CC(=NNC(N)=[NH2+])c1ccc(Cl)c(Cl)c1 ZINC000252448444 364669457 /nfs/dbraw/zinc/66/94/57/364669457.db2.gz WSAFOSLUYCQLSH-UHFFFAOYSA-N 1 0 245.113 2.200 50 30 BEEARO CC[C@](C)(C#CC[NH+]1CCCC1)OCCC#N ZINC000002296070 369048102 /nfs/dbraw/zinc/04/81/02/369048102.db2.gz WELKEPIWDTYCGL-CQSZACIVSA-N 1 0 234.343 2.185 50 30 BEEARO C=Cn1cc(CN(CCC#N)[C@@H](C)C2CC2)cn1 ZINC000225579984 371556535 /nfs/dbraw/zinc/55/65/35/371556535.db2.gz NTLRWTXDUZGIRH-LBPRGKRZSA-N 1 0 244.342 2.498 50 30 BEEARO C=C(C)C[NH+]1CCN(Cc2ccsc2)CC1 ZINC000040004960 373085209 /nfs/dbraw/zinc/08/52/09/373085209.db2.gz KPUNSQUCBRAPFR-UHFFFAOYSA-N 1 0 236.384 2.442 50 30 BEEARO CCC[N@H+](CC)Cc1cc(C#N)n(C)c1C ZINC000095430352 169128801 /nfs/dbraw/zinc/12/88/01/169128801.db2.gz ZZQLDPVAPQEAOY-UHFFFAOYSA-N 1 0 219.332 2.437 50 30 BEEARO C[NH+](C)CCn1c(C#N)cc2ccccc21 ZINC000000129803 383830586 /nfs/dbraw/zinc/83/05/86/383830586.db2.gz KBHQHJOIEBMZOA-UHFFFAOYSA-N 1 0 213.284 2.075 50 30 BEEARO COc1ccc(C(=O)C[n+]2ccccc2C)cc1 ZINC000001634283 383915076 /nfs/dbraw/zinc/91/50/76/383915076.db2.gz VKHIZKPYFRXICV-UHFFFAOYSA-N 1 0 242.298 2.174 50 30 BEEARO C[NH+](C)[C@@H]1CCC[C@@H](Nc2cc(C#N)ccn2)C1 ZINC000283914939 383930969 /nfs/dbraw/zinc/93/09/69/383930969.db2.gz WSFGWWCASQFROQ-CHWSQXEVSA-N 1 0 244.342 2.238 50 30 BEEARO C[NH+](C)CCC(=O)/C=C/c1ccccc1 ZINC000001724535 383932041 /nfs/dbraw/zinc/93/20/41/383932041.db2.gz JLWRSVWWZYOKTL-CMDGGOBGSA-N 1 0 203.285 2.221 50 30 BEEARO O/N=C(/c1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC000022008718 384723628 /nfs/dbraw/zinc/72/36/28/384723628.db2.gz DAQWROFRHWHKFE-FOWTUZBSSA-N 1 0 240.253 2.143 50 30 BEEARO C=C(C)CN1CCC([NH2+][C@H](CC)COC)CC1 ZINC000096477255 385195746 /nfs/dbraw/zinc/19/57/46/385195746.db2.gz NOQKUVGPPQFGEP-CYBMUJFWSA-N 1 0 240.391 2.042 50 30 BEEARO C[C@H](O)C[N@H+](CCCC#N)Cc1ccccc1 ZINC000096421170 385146959 /nfs/dbraw/zinc/14/69/59/385146959.db2.gz MORMNGMFYFMGFF-ZDUSSCGKSA-N 1 0 232.327 2.173 50 30 BEEARO C#CC[N@@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000096455328 385175366 /nfs/dbraw/zinc/17/53/66/385175366.db2.gz NDXQDJPAFBWKDZ-LLVKDONJSA-N 1 0 203.285 2.408 50 30 BEEARO C[N@@H+](Cc1cccc(C#N)c1)CC1CC1 ZINC000037903013 385210909 /nfs/dbraw/zinc/21/09/09/385210909.db2.gz OPVPLEPGSOQUJD-UHFFFAOYSA-N 1 0 200.285 2.400 50 30 BEEARO C=C(C)C[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000096492474 385231231 /nfs/dbraw/zinc/23/12/31/385231231.db2.gz NYPJXZSTHXZQPV-LBPRGKRZSA-N 1 0 242.326 2.494 50 30 BEEARO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(C#N)cc1 ZINC000183586113 385686712 /nfs/dbraw/zinc/68/67/12/385686712.db2.gz AUKSZFPGGAWDSS-OSAQELSMSA-N 1 0 242.322 2.146 50 30 BEEARO C=CCc1ccccc1OCC[NH2+]CCCOC ZINC000003000705 386155459 /nfs/dbraw/zinc/15/54/59/386155459.db2.gz VQUHNMZIUBLWJW-UHFFFAOYSA-N 1 0 249.354 2.420 50 30 BEEARO CC#CC[C@H](CO)[NH2+]Cc1ccc(Cl)s1 ZINC000585116594 386673473 /nfs/dbraw/zinc/67/34/73/386673473.db2.gz BYFMWDMOLDYOPI-SECBINFHSA-N 1 0 243.759 2.265 50 30 BEEARO C[C@H](CC#N)[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000585116393 386673883 /nfs/dbraw/zinc/67/38/83/386673883.db2.gz TXRBZUCEBLIPBP-SNVBAGLBSA-N 1 0 249.289 2.046 50 30 BEEARO CC(CC(C)(C)c1ccccc1)N=NC(N)=[NH2+] ZINC000009660143 388440090 /nfs/dbraw/zinc/44/00/90/388440090.db2.gz IUCBODLGSLKFNN-MHWRWJLKSA-N 1 0 232.331 2.004 50 30 BEEARO C[C@@H](CC#N)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000195531449 388477895 /nfs/dbraw/zinc/47/78/95/388477895.db2.gz OZDBRHIAFNOZLX-KBPBESRZSA-N 1 0 235.375 2.096 50 30 BEEARO C=C(C)C[NH+]1CCC(c2nnc(C3CC3)[nH]2)CC1 ZINC000069777603 388426412 /nfs/dbraw/zinc/42/64/12/388426412.db2.gz BEGIXAXMRPICBJ-UHFFFAOYSA-N 1 0 246.358 2.438 50 30 BEEARO Cn1cc([C@H]2CCC[N@@H+]2CCCCC#N)cn1 ZINC000069808070 388427104 /nfs/dbraw/zinc/42/71/04/388427104.db2.gz NHSVHRAOJKMOGX-CYBMUJFWSA-N 1 0 232.331 2.251 50 30 BEEARO N#CC[C@@H](C1CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000095996065 388802148 /nfs/dbraw/zinc/80/21/48/388802148.db2.gz WJQXSBRRNZYITM-ZFWWWQNUSA-N 1 0 247.386 2.096 50 30 BEEARO C=C(C)C[NH2+][C@@H](CCO)c1ccccc1 ZINC000096490938 388819304 /nfs/dbraw/zinc/81/93/04/388819304.db2.gz BIMKBCVCQKIKRK-ZDUSSCGKSA-N 1 0 205.301 2.276 50 30 BEEARO C=C(C)COCC[NH2+][C@@H]1CCCSC1 ZINC000097370850 397928921 /nfs/dbraw/zinc/92/89/21/397928921.db2.gz DYVYDGVSMPFSQI-LLVKDONJSA-N 1 0 215.362 2.064 50 30 BEEARO C=CCNC(=O)C[NH2+]C(C)(C)c1cccc(C)c1 ZINC000096491927 166370384 /nfs/dbraw/zinc/37/03/84/166370384.db2.gz YOLGJDSDKDZMCW-UHFFFAOYSA-N 1 0 246.354 2.122 50 30 BEEARO C=C(C)C[NH+](C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000047775007 411164706 /nfs/dbraw/zinc/16/47/06/411164706.db2.gz VRGUYBHFEHRGRU-ZIAGYGMSSA-N 1 0 239.359 2.223 50 30 BEEARO CCNC(=[NH2+])N(C)Cc1c(F)cccc1Cl ZINC000073772726 167861777 /nfs/dbraw/zinc/86/17/77/167861777.db2.gz DQMKYKNXBVJJJT-UHFFFAOYSA-N 1 0 243.713 2.246 50 30 BEEARO CCC(C#CC[NH+]1CCCC1)(CC)OC(C)=O ZINC000004996823 168260982 /nfs/dbraw/zinc/26/09/82/168260982.db2.gz VFWROASODQPSMF-UHFFFAOYSA-N 1 0 237.343 2.208 50 30 BEEARO CNC(NCCCc1cccc(Cl)c1)=[NH+]C ZINC000171042346 173210618 /nfs/dbraw/zinc/21/06/18/173210618.db2.gz JACKDYHDWFNWKS-UHFFFAOYSA-N 1 0 239.750 2.067 50 30 BEEARO CNC(NCc1ccc(C(C)(C)C)cc1)=[NH+]C ZINC000097201771 173211095 /nfs/dbraw/zinc/21/10/95/173211095.db2.gz UMZFRBQCLMSIEZ-UHFFFAOYSA-N 1 0 233.359 2.279 50 30 BEEARO COc1cccc(NC(=O)c2ccc[n+](C)c2)c1 ZINC000003163340 175241433 /nfs/dbraw/zinc/24/14/33/175241433.db2.gz NPRSRVUZIOZFBF-UHFFFAOYSA-O 1 0 243.286 2.156 50 30 BEEARO CC(C)C(C)(C)CNC(=[NH2+])N(C)C1CC1 ZINC000187848751 519540333 /nfs/dbraw/zinc/54/03/33/519540333.db2.gz RPZBCYQQCBFZNO-UHFFFAOYSA-N 1 0 211.353 2.078 50 30 BEEARO CCCCCCCC[NH2+]CCC(=O)OC ZINC000101584662 520035632 /nfs/dbraw/zinc/03/56/32/520035632.db2.gz FORLTEPZSIVUJB-UHFFFAOYSA-N 1 0 215.337 2.500 50 30 BEEARO C[NH+]=C(NCCC1CCC1)NCc1ccco1 ZINC000097227552 523668220 /nfs/dbraw/zinc/66/82/20/523668220.db2.gz OVRPUFRVHIPVNA-UHFFFAOYSA-N 1 0 235.331 2.135 50 30 BEEARO C=CC[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000056316235 636039584 /nfs/dbraw/zinc/03/95/84/636039584.db2.gz BCRYHCPQNGYSMU-NSHDSACASA-N 1 0 240.347 2.162 50 30 BEEARO C=CC[C@@H]1C=CC[C@H](CC=C)[N@H+]1CCO ZINC000002475172 636213893 /nfs/dbraw/zinc/21/38/93/636213893.db2.gz SVGVOQWEUWSJNS-OLZOCXBDSA-N 1 0 207.317 2.130 50 30 BEEARO CCC1(CNC(NCc2ccco2)=[NH+]C)CC1 ZINC000097012313 637020678 /nfs/dbraw/zinc/02/06/78/637020678.db2.gz KJYFKBOGBJOBCX-UHFFFAOYSA-N 1 0 235.331 2.135 50 30 BEEARO C[C@H](C#N)C[NH2+]C1CCC2(CSC2)CC1 ZINC000952995656 644451954 /nfs/dbraw/zinc/45/19/54/644451954.db2.gz TZELVMKBKPAUKN-SNVBAGLBSA-N 1 0 224.373 2.411 50 30 BEEARO CC(=O)O[C@](C)(C#CC[NH+]1CCCC1)C(C)C ZINC000005384580 970813804 /nfs/dbraw/zinc/81/38/04/970813804.db2.gz CRDATSKIRMKMGS-CQSZACIVSA-N 1 0 237.343 2.063 50 30 BEEARO C#Cc1ccc(C[NH2+]Cc2c(C)n[nH]c2C)cc1 ZINC000585084419 972117626 /nfs/dbraw/zinc/11/76/26/972117626.db2.gz UYKWEBAPRSQVNY-UHFFFAOYSA-N 1 0 239.322 2.298 50 30 BEEARO C#CC[C@@H](CO)[NH2+]Cc1cc(C)c(C)cc1C ZINC000585086415 972123525 /nfs/dbraw/zinc/12/35/25/972123525.db2.gz WITFDTOCBCOSAC-HNNXBMFYSA-N 1 0 231.339 2.086 50 30 BEEARO C=CC[C@@H]1Nc2ccccc2[C@@H]1CC[NH3+] ZINC000005725874 983856372 /nfs/dbraw/zinc/85/63/72/983856372.db2.gz ZYEPAWDPHHIWDP-RYUDHWBXSA-N 1 0 202.301 2.489 50 30 BEEARO O=[N+](Cc1ccccc1)Cc1ccncc1 ZINC000012959662 136216526 /nfs/dbraw/zinc/21/65/26/136216526.db2.gz UKGWHZWAAZBIJH-PTNGSMBKSA-N 1 0 212.252 2.211 50 30 BEEARO Cc1cc[n+](CC(=O)c2ccccc2)cc1 ZINC000001634281 178309011 /nfs/dbraw/zinc/30/90/11/178309011.db2.gz GRZOCNNXJNBAOT-UHFFFAOYSA-N 1 0 212.272 2.165 50 30 BEEARO Cc1cc[n+](CC(=O)Nc2cccc(F)c2)cc1 ZINC000007712764 178309065 /nfs/dbraw/zinc/30/90/65/178309065.db2.gz RRANOVRDDWDDRZ-UHFFFAOYSA-O 1 0 245.277 2.060 50 30 BEEARO Clc1ccc(Cl)c(NC2=[NH+]CCN2)c1 ZINC000026167257 343101518 /nfs/dbraw/zinc/10/15/18/343101518.db2.gz BYALCVXDQPAMHM-UHFFFAOYSA-N 1 0 230.098 2.174 50 30 BEEARO C=CC[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000119557262 344433121 /nfs/dbraw/zinc/43/31/21/344433121.db2.gz ZOGWWGXZZYGHLN-UHFFFAOYSA-N 1 0 240.347 2.019 50 30 BEEARO N#C[C@H]1C[NH2+]C[C@@H]1c1ccccc1Cl ZINC000259673130 344682308 /nfs/dbraw/zinc/68/23/08/344682308.db2.gz JXGRSWBBZMWJMA-WPRPVWTQSA-N 1 0 206.676 2.167 50 30 BEEARO C=CC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000249173714 345467227 /nfs/dbraw/zinc/46/72/27/345467227.db2.gz DALGVJGGVHEDMY-UKRRQHHQSA-N 1 0 245.370 2.068 50 30 BEEARO CNC(NCc1ccc2ccccc2c1)=[NH+]C ZINC000075581916 537929239 /nfs/dbraw/zinc/92/92/39/537929239.db2.gz GMNWGWQNQOAHPP-UHFFFAOYSA-N 1 0 227.311 2.135 50 30 BEEARO Cc1ccc(Cl)cc1CNC(=[NH2+])NC1CC1 ZINC000191726662 346060003 /nfs/dbraw/zinc/06/00/03/346060003.db2.gz MCFYVXUMJCPYOL-UHFFFAOYSA-N 1 0 237.734 2.215 50 30 BEEARO Cc1cccc[n+]1CC(=O)c1ccc(F)cc1 ZINC000001666166 179234392 /nfs/dbraw/zinc/23/43/92/179234392.db2.gz IIZOIJJCBDUKFX-UHFFFAOYSA-N 1 0 230.262 2.305 50 30 BEEARO Cc1ccccc1CNC(=[NH2+])NCC(C)C ZINC000052042240 179254743 /nfs/dbraw/zinc/25/47/43/179254743.db2.gz YPTMLVUKQIAPPW-UHFFFAOYSA-N 1 0 219.332 2.055 50 30 BEEARO C[C@@H]1CCC[N@@H+]1C1CCN(C(C)(C)C#N)CC1 ZINC000195572085 347648013 /nfs/dbraw/zinc/64/80/13/347648013.db2.gz DFCNGWALNZYILR-GFCCVEGCSA-N 1 0 235.375 2.237 50 30 BEEARO C=C1[C@@](O)(c2ccccc2)C2CC[N+]1(C)CC2 ZINC000000260940 187753552 /nfs/dbraw/zinc/75/35/52/187753552.db2.gz CWWRJYICXIWNOZ-HWOWSKLDSA-N 1 0 230.331 2.258 50 30 biogenic BEEARO C=C(C)C[N@@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000069771462 188111567 /nfs/dbraw/zinc/11/15/67/188111567.db2.gz TZRMIDRYQYADHW-CYBMUJFWSA-N 1 0 219.332 2.314 50 30 BEEARO C[NH+]=C(NCCC1=CCCCC1)N(C)C ZINC000225388084 188181376 /nfs/dbraw/zinc/18/13/76/188181376.db2.gz MWNDOYOXKRJLKH-UHFFFAOYSA-N 1 0 209.337 2.014 50 30 BEEARO C=C(C)C[N@@H+](C)[C@H]1CCc2ccccc2NC1=O ZINC000192167540 188223191 /nfs/dbraw/zinc/22/31/91/188223191.db2.gz NXJJXRGQKJXRFU-AWEZNQCLSA-N 1 0 244.338 2.448 50 30 BEEARO C#CC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000065621861 188224672 /nfs/dbraw/zinc/22/46/72/188224672.db2.gz JDQWXZAZPITUFQ-LBPRGKRZSA-N 1 0 235.352 2.362 50 30 BEEARO N#CCCCN1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000069874838 181035708 /nfs/dbraw/zinc/03/57/08/181035708.db2.gz RQKQBZXTXKMKPM-CQSZACIVSA-N 1 0 235.375 2.240 50 30 BEEARO C=CCNC(=[NH2+])N[C@H]1C[C@@H]1C1CCCCC1 ZINC000170642331 363324237 /nfs/dbraw/zinc/32/42/37/363324237.db2.gz USRNBHCBLDEAOU-NEPJUHHUSA-N 1 0 221.348 2.046 50 30 BEEARO CCC[N+]1(CC#CC(C)(C)O)CCCCC1 ZINC000000439621 355895842 /nfs/dbraw/zinc/89/58/42/355895842.db2.gz BXPYPCZYOMDCDJ-UHFFFAOYSA-N 1 0 224.368 2.171 50 30 BEEARO CCCCCCC[n+]1ccc(C(N)=O)cc1 ZINC000002156584 356365199 /nfs/dbraw/zinc/36/51/99/356365199.db2.gz KYQQZJCVUKLABV-UHFFFAOYSA-O 1 0 221.324 2.043 50 30 BEEARO C=C[C@H](C)OC(=O)c1ccn2c[nH+]cc2c1 ZINC000225446858 370663913 /nfs/dbraw/zinc/66/39/13/370663913.db2.gz WHVOUZUGTMFXOY-VIFPVBQESA-N 1 0 216.240 2.066 50 30 BEEARO CC[N@@H+]1CCC[C@H]1Cn1c(C)c(C)c(C#N)c1N ZINC000006668660 360560752 /nfs/dbraw/zinc/56/07/52/360560752.db2.gz CWJUITMVGMPALY-LBPRGKRZSA-N 1 0 246.358 2.043 50 30 BEEARO Cn1c[n+](N=Cc2ccccc2)c2ccccc21 ZINC000252620210 364158891 /nfs/dbraw/zinc/15/88/91/364158891.db2.gz LZKFGLCPACZYBG-UHFFFAOYSA-N 1 0 236.298 2.348 50 30 BEEARO C[C@@]1([N+](=O)Cc2ccccc2O)CCCCC1=O ZINC000002267986 368143090 /nfs/dbraw/zinc/14/30/90/368143090.db2.gz VHJNNOBJFUIXFD-MKRLJBPISA-N 1 0 247.294 2.223 50 30 BEEARO C=C(C)C[N@H+](CC)C[C@@H](O)COc1ccccc1 ZINC000002639086 371617209 /nfs/dbraw/zinc/61/72/09/371617209.db2.gz FSXVYJQGLCOBIR-CQSZACIVSA-N 1 0 249.354 2.324 50 30 BEEARO C=C1C[NH+]=C(NCCc2ccccc2)S1 ZINC000004207823 372170365 /nfs/dbraw/zinc/17/03/65/372170365.db2.gz NVXRAFJSHYZEFK-UHFFFAOYSA-N 1 0 218.325 2.435 50 30 BEEARO O[C@H](C#CC[NH+]1CCCCC1)c1ccccc1 ZINC000000275403 183217742 /nfs/dbraw/zinc/21/77/42/183217742.db2.gz ZVAYTFMPEMZEEJ-OAHLLOKOSA-N 1 0 229.323 2.209 50 30 BEEARO O=CC1CC[NH+](Cc2ccccc2)CC1 ZINC000002579305 383979175 /nfs/dbraw/zinc/97/91/75/383979175.db2.gz SGIBOXBBPQRZDM-UHFFFAOYSA-N 1 0 203.285 2.098 50 30 in-vitro BEEARO C[N+](C)(C)CCCCCCCCC(=O)/C=N/[O-] ZINC000004672211 384062894 /nfs/dbraw/zinc/06/28/94/384062894.db2.gz OCYHGCKYDYHEHK-UHFFFAOYSA-O 1 0 243.371 2.452 50 30 BEEARO C=C(C)C[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178416625 384183906 /nfs/dbraw/zinc/18/39/06/384183906.db2.gz LOQQMLKJTJYPRS-INIZCTEOSA-N 1 0 237.368 2.432 50 30 BEEARO CC(C)COCCCNC(=[NH2+])Nc1ccccc1 ZINC000058380149 384998718 /nfs/dbraw/zinc/99/87/18/384998718.db2.gz UQFMGEFCPXRGOC-UHFFFAOYSA-N 1 0 249.358 2.476 50 30 BEEARO C#CC[N@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000299410077 385049785 /nfs/dbraw/zinc/04/97/85/385049785.db2.gz ZLDMDGTWPYTZKC-UHFFFAOYSA-N 1 0 210.280 2.156 50 30 BEEARO C=C(C)CN1CCC([NH2+][C@@H](CC)COC)CC1 ZINC000096477254 385196260 /nfs/dbraw/zinc/19/62/60/385196260.db2.gz NOQKUVGPPQFGEP-ZDUSSCGKSA-N 1 0 240.391 2.042 50 30 BEEARO C[C@@H](O)C[N@H+](CCCC#N)Cc1ccccc1 ZINC000096421171 385149121 /nfs/dbraw/zinc/14/91/21/385149121.db2.gz MORMNGMFYFMGFF-CYBMUJFWSA-N 1 0 232.327 2.173 50 30 BEEARO CC#CC[NH2+][C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000072308129 385234490 /nfs/dbraw/zinc/23/44/90/385234490.db2.gz YBJLULBQTKFDRF-GXTWGEPZSA-N 1 0 223.360 2.177 50 30 BEEARO CC[NH+](CC)CC#C[C@@](C)(CC)OC(C)=O ZINC000002495983 385282381 /nfs/dbraw/zinc/28/23/81/385282381.db2.gz UZMDIVRLXBKLIN-CYBMUJFWSA-N 1 0 225.332 2.063 50 30 BEEARO C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cccc(C#N)c1 ZINC000183585063 385686969 /nfs/dbraw/zinc/68/69/69/385686969.db2.gz YJVUJZQDUJGGLN-CORIIIEPSA-N 1 0 242.322 2.146 50 30 BEEARO C[NH+](C)CC#C[C@]1(C)CCCC(C)(C)O1 ZINC000006668110 387596944 /nfs/dbraw/zinc/59/69/44/387596944.db2.gz RSUHJILXOKLURG-ZDUSSCGKSA-N 1 0 209.333 2.289 50 30 BEEARO C#CC[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000075831409 388355876 /nfs/dbraw/zinc/35/58/76/388355876.db2.gz NPDSALOHAANMKK-CYBMUJFWSA-N 1 0 207.317 2.043 50 30 BEEARO C#CC[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000066900062 388403865 /nfs/dbraw/zinc/40/38/65/388403865.db2.gz UFTFEFIMPTVQIH-CYBMUJFWSA-N 1 0 243.306 2.228 50 30 BEEARO C=C(C)C[N@@H+]1CCCC[C@H]1Cn1nc(C)nc1C ZINC000069600928 388421495 /nfs/dbraw/zinc/42/14/95/388421495.db2.gz QYALVAYSCIHVRM-AWEZNQCLSA-N 1 0 248.374 2.326 50 30 BEEARO CC(C)(C)C[N@H+](CCO)Cc1ccc(C#N)cc1 ZINC000069809561 388427110 /nfs/dbraw/zinc/42/71/10/388427110.db2.gz IEDDVXQOHZWXGC-UHFFFAOYSA-N 1 0 246.354 2.399 50 30 BEEARO C[NH+](C)CCNc1c(Cl)cccc1C#N ZINC000090998080 388590204 /nfs/dbraw/zinc/59/02/04/388590204.db2.gz FXHDLKRAKDFACB-UHFFFAOYSA-N 1 0 223.707 2.185 50 30 BEEARO Cc1cc(C)c(C#N)c(SCCC[NH3+])n1 ZINC000020396599 388765662 /nfs/dbraw/zinc/76/56/62/388765662.db2.gz NYGMHLFHWKVPFK-UHFFFAOYSA-N 1 0 221.329 2.011 50 30 BEEARO C=C(C)C[NH2+][C@H](CCO)c1ccccc1 ZINC000096490940 388820136 /nfs/dbraw/zinc/82/01/36/388820136.db2.gz BIMKBCVCQKIKRK-CYBMUJFWSA-N 1 0 205.301 2.276 50 30 BEEARO C=CCSc1ccccc1N1CC[NH2+]CC1 ZINC000044124511 132224956 /nfs/dbraw/zinc/22/49/56/132224956.db2.gz JSQJCMMGDKWLNW-UHFFFAOYSA-N 1 0 234.368 2.374 50 30 BEEARO C=CC[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000044868007 132225227 /nfs/dbraw/zinc/22/52/27/132225227.db2.gz BUDLVKFZTJMYLN-UHFFFAOYSA-N 1 0 232.327 2.003 50 30 BEEARO C#CCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000095412298 166127130 /nfs/dbraw/zinc/12/71/30/166127130.db2.gz OHKTUKJJDRSLIU-UHFFFAOYSA-N 1 0 232.283 2.488 50 30 BEEARO C=C(C)C[NH2+][C@H](CCO)C1CCCCC1 ZINC000097048966 410043822 /nfs/dbraw/zinc/04/38/22/410043822.db2.gz MCGJSTVFRAZEFX-CYBMUJFWSA-N 1 0 211.349 2.483 50 30 BEEARO C[NH+]=C(NCc1sccc1C)N1CCCC1 ZINC000075582791 410051479 /nfs/dbraw/zinc/05/14/79/410051479.db2.gz JEVVGNWAHDHJJN-UHFFFAOYSA-N 1 0 237.372 2.228 50 30 BEEARO C#CC[NH2+][C@H](c1ncccc1C)C(C)C ZINC000096424402 166192582 /nfs/dbraw/zinc/19/25/82/166192582.db2.gz LDJRBLHXUNLBCW-LBPRGKRZSA-N 1 0 202.301 2.310 50 30 BEEARO C=CCC[C@@H](C)[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000130563615 166295741 /nfs/dbraw/zinc/29/57/41/166295741.db2.gz QIGYEEXKYQOJOJ-OLZOCXBDSA-N 1 0 238.375 2.332 50 30 BEEARO C=CCC[C@H](C)[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000130563405 166299748 /nfs/dbraw/zinc/29/97/48/166299748.db2.gz QIGYEEXKYQOJOJ-STQMWFEESA-N 1 0 238.375 2.332 50 30 BEEARO C=CCN1CCC([NH2+][C@H](C)c2cccnc2)CC1 ZINC000092746976 166352766 /nfs/dbraw/zinc/35/27/66/166352766.db2.gz GFBUJNLXZPKGQI-CYBMUJFWSA-N 1 0 245.370 2.383 50 30 BEEARO C=CCN1CCC([NH2+][C@@H](C)c2cccnc2)CC1 ZINC000092746971 166353386 /nfs/dbraw/zinc/35/33/86/166353386.db2.gz GFBUJNLXZPKGQI-ZDUSSCGKSA-N 1 0 245.370 2.383 50 30 BEEARO CC[NH2+]CC#CCOc1cc(C)ccc1C ZINC000016622067 170109143 /nfs/dbraw/zinc/10/91/43/170109143.db2.gz KTPKKGLJSIEXAV-UHFFFAOYSA-N 1 0 217.312 2.295 50 30 BEEARO CN(C)/C=[NH+]/c1sc2c(c1C#N)CCC2 ZINC000100627133 172352032 /nfs/dbraw/zinc/35/20/32/172352032.db2.gz LMUYFGDTLHZRRW-NTUHNPAUSA-N 1 0 219.313 2.330 50 30 BEEARO C[C@@H]1CCN(CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000076089727 176166490 /nfs/dbraw/zinc/16/64/90/176166490.db2.gz XYLHTFXAUIULGD-CQSZACIVSA-N 1 0 243.354 2.106 50 30 BEEARO C[N+](=O)Cc1ccc(C(F)(F)F)cc1 ZINC000000084687 487839179 /nfs/dbraw/zinc/83/91/79/487839179.db2.gz YDQVHLJRYUAVRA-MLPAPPSSSA-N 1 0 203.163 2.264 50 30 BEEARO C#CC[N@@H+](C)[C@@H](C)c1ccccc1OC ZINC000051879581 488092623 /nfs/dbraw/zinc/09/26/23/488092623.db2.gz FLMGALROPFEEKB-NSHDSACASA-N 1 0 203.285 2.321 50 30 BEEARO C[N@H+](Cc1ccccc1C#N)CC1(CO)CCC1 ZINC000670469735 487524778 /nfs/dbraw/zinc/52/47/78/487524778.db2.gz ZUFQTROPTFXTSW-UHFFFAOYSA-N 1 0 244.338 2.153 50 30 BEEARO C=CCOc1ccc(CN(C)[C@@H](C)C[NH3+])cc1 ZINC000097162644 490326054 /nfs/dbraw/zinc/32/60/54/490326054.db2.gz VQVYZGKSYHFDEC-LBPRGKRZSA-N 1 0 234.343 2.030 50 30 BEEARO CC(C)(CNC(=[NH2+])NC1CC1)c1ccccc1F ZINC000058289327 519232523 /nfs/dbraw/zinc/23/25/23/519232523.db2.gz FGDOMCFGOHBBQS-UHFFFAOYSA-N 1 0 249.333 2.170 50 30 BEEARO CN(C)C(=[NH2+])NCc1ccc2ccccc2c1 ZINC000170911921 523967678 /nfs/dbraw/zinc/96/76/78/523967678.db2.gz GENWHHHMQSGQCE-UHFFFAOYSA-N 1 0 227.311 2.216 50 30 BEEARO Cc1ccc(CNC(=[NH2+])NCc2ccco2)cc1 ZINC000058159563 524427024 /nfs/dbraw/zinc/42/70/24/524427024.db2.gz FVHNLGNWMJZRRT-UHFFFAOYSA-N 1 0 243.310 2.193 50 30 BEEARO C[N@H+](CCC#N)C1CCC(F)(F)CC1 ZINC000335957961 536299014 /nfs/dbraw/zinc/29/90/14/536299014.db2.gz UADFXDJQNMGMJJ-UHFFFAOYSA-N 1 0 202.248 2.410 50 30 BEEARO C#CC(C)(C)[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000888100910 583181944 /nfs/dbraw/zinc/18/19/44/583181944.db2.gz ZLMQHRMLGKSEAS-UHFFFAOYSA-N 1 0 248.301 2.156 50 30 BEEARO CCNC(N[C@@H](C)c1cc(C)ccc1OC)=[NH+]C ZINC000095397690 644748516 /nfs/dbraw/zinc/74/85/16/644748516.db2.gz LDBOSTLIHSBLDO-NSHDSACASA-N 1 0 249.358 2.250 50 30 BEEARO C[N@H+](CC#C[C@@](C)(O)C1CC1)C1CCCCC1 ZINC000004477627 711718799 /nfs/dbraw/zinc/71/87/99/711718799.db2.gz VEMZWIVQFPJYBU-OAHLLOKOSA-N 1 0 235.371 2.415 50 30 BEEARO N#Cc1cc(F)ccc1OCC[NH+]1CCCC1 ZINC000111037230 1166616631 /nfs/dbraw/zinc/61/66/31/1166616631.db2.gz XQCOSTCTSLFTSV-UHFFFAOYSA-N 1 0 234.274 2.172 50 30 BEEARO C#Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCOC2)cc1 ZINC000585079557 972112195 /nfs/dbraw/zinc/11/21/95/972112195.db2.gz YCGABWSJSUBJRD-WFASDCNBSA-N 1 0 229.323 2.183 50 30 BEEARO C#Cc1cccc(C[NH2+]Cc2c(C)n[nH]c2C)c1 ZINC000585086725 972123402 /nfs/dbraw/zinc/12/34/02/972123402.db2.gz FOIMXEXBSGDPNG-UHFFFAOYSA-N 1 0 239.322 2.298 50 30 BEEARO Cc1cc(C#N)c(NC[C@@H]2CCC[N@H+]2C)nc1C ZINC000826767266 994514372 /nfs/dbraw/zinc/51/43/72/994514372.db2.gz BFEVFLIEYVFXTM-ZDUSSCGKSA-N 1 0 244.342 2.076 50 30 BEEARO CCC(CC)(CNC(N)=[NH2+])c1ccccc1 ZINC000097009528 168324253 /nfs/dbraw/zinc/32/42/53/168324253.db2.gz FRDHJOHGMWIXRY-UHFFFAOYSA-N 1 0 219.332 2.018 50 30 BEEARO C#CCC[NH2+][C@H](C)Cc1ccccc1F ZINC000162538767 538923134 /nfs/dbraw/zinc/92/31/34/538923134.db2.gz BSTBEHWQVJAFJA-LLVKDONJSA-N 1 0 205.276 2.370 50 30 BEEARO C[NH+]1CCC(=NOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000000262182 342681647 /nfs/dbraw/zinc/68/16/47/342681647.db2.gz VXZVTCWJAAIQDA-UHFFFAOYSA-N 1 0 249.270 2.055 50 30 BEEARO CC(=O)c1ccc(C[C@@H](C)[NH2+]CCC#N)cc1 ZINC000096027958 342701494 /nfs/dbraw/zinc/70/14/94/342701494.db2.gz LTNKCTBKFYPDNX-LLVKDONJSA-N 1 0 230.311 2.323 50 30 BEEARO CCOc1ccc(NC2=[NH+]CCC2)cc1 ZINC000005465266 342764555 /nfs/dbraw/zinc/76/45/55/342764555.db2.gz ZPXDWKUUZGZYGV-UHFFFAOYSA-N 1 0 204.273 2.499 50 30 BEEARO CC[N@H+](Cc1ccccc1C#N)[C@H](C)COC ZINC000042252183 342766667 /nfs/dbraw/zinc/76/66/67/342766667.db2.gz HPGWQKCJXRUMSI-GFCCVEGCSA-N 1 0 232.327 2.415 50 30 BEEARO CC[NH+](CC)Cc1c(N)c(C#N)c2ccccn21 ZINC000032603908 342854865 /nfs/dbraw/zinc/85/48/65/342854865.db2.gz IVAOULUTXXENTP-UHFFFAOYSA-N 1 0 242.326 2.235 50 30 BEEARO CC(=O)OC1(C#CC[NH+]2CCCC2)CCCCC1 ZINC000005383202 343039959 /nfs/dbraw/zinc/03/99/59/343039959.db2.gz IXVKVZGYQXBMQS-UHFFFAOYSA-N 1 0 249.354 2.352 50 30 BEEARO C#Cc1ccc(C[NH2+]Cc2cnn(CC)c2)cc1 ZINC000290487842 346982780 /nfs/dbraw/zinc/98/27/80/346982780.db2.gz VTDNQUSZXLYGLH-UHFFFAOYSA-N 1 0 239.322 2.174 50 30 BEEARO CCCC1(CNC(=[NH2+])N(C)C2CC2)CCC1 ZINC000225574534 344738386 /nfs/dbraw/zinc/73/83/86/344738386.db2.gz MTXPEIKPRBKRAC-UHFFFAOYSA-N 1 0 223.364 2.366 50 30 BEEARO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000335227909 345153517 /nfs/dbraw/zinc/15/35/17/345153517.db2.gz BPODWYZHHXRXOB-KOLCDFICSA-N 1 0 219.263 2.003 50 30 BEEARO C[NH+]=C(NCc1cc2ccccc2o1)NC1CC1 ZINC000072270961 537902433 /nfs/dbraw/zinc/90/24/33/537902433.db2.gz GFZDYHZLWSSIRQ-UHFFFAOYSA-N 1 0 243.310 2.260 50 30 BEEARO Cc1cccc[n+]1CC(=O)c1ccc(F)c(F)c1 ZINC000007613350 179234510 /nfs/dbraw/zinc/23/45/10/179234510.db2.gz WJFYHUWKAUGAJS-UHFFFAOYSA-N 1 0 248.252 2.444 50 30 BEEARO C#CC[N@@H+](C[C@H](O)CC(C)C)C(C)(C)C ZINC000078496081 192371056 /nfs/dbraw/zinc/37/10/56/192371056.db2.gz CLNWJNHNHJMWMV-GFCCVEGCSA-N 1 0 211.349 2.127 50 30 BEEARO C=C(C)C[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000178416638 187390932 /nfs/dbraw/zinc/39/09/32/187390932.db2.gz LOQQMLKJTJYPRS-MRXNPFEDSA-N 1 0 237.368 2.432 50 30 BEEARO C=CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000195567050 166304490 /nfs/dbraw/zinc/30/44/90/166304490.db2.gz UCHFAPPOLLSUKR-RWMBFGLXSA-N 1 0 211.349 2.482 50 30 BEEARO C=CCc1ccc(OCC[NH2+]C)c(OC)c1 ZINC000005013458 187412178 /nfs/dbraw/zinc/41/21/78/187412178.db2.gz WUXSMFCPDUPFAQ-UHFFFAOYSA-N 1 0 221.300 2.022 50 30 BEEARO COc1ccc2[nH]c(C=O)c(/[NH+]=C/N(C)C)c2c1 ZINC000100978969 191063945 /nfs/dbraw/zinc/06/39/45/191063945.db2.gz TXQJWUTXQSCYGV-RIYZIHGNSA-N 1 0 245.282 2.210 50 30 BEEARO Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@@H](C)CC#N ZINC000072253579 180347847 /nfs/dbraw/zinc/34/78/47/180347847.db2.gz ZZXRSXYBAWOIAP-GWCFXTLKSA-N 1 0 246.358 2.476 50 30 BEEARO CCNC(NC[C@H](C)c1cccs1)=[NH+]CC ZINC000170635099 363053815 /nfs/dbraw/zinc/05/38/15/363053815.db2.gz QGNYBXLTHKYFML-JTQLQIEISA-N 1 0 239.388 2.427 50 30 BEEARO C=CCc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1 ZINC000003650834 352334622 /nfs/dbraw/zinc/33/46/22/352334622.db2.gz PDUAYNIDLQOSGX-CQSZACIVSA-N 1 0 249.354 2.153 50 30 BEEARO SCC[NH2+]CCc1c[nH]c2ccccc12 ZINC000003876612 187740877 /nfs/dbraw/zinc/74/08/77/187740877.db2.gz LRGGVDOTAUCDLR-UHFFFAOYSA-N 1 0 220.341 2.230 50 30 BEEARO C=CCN1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000046059258 166354572 /nfs/dbraw/zinc/35/45/72/166354572.db2.gz SDWTWYJIEISTJW-CYBMUJFWSA-N 1 0 221.275 2.385 50 30 BEEARO C=CCc1ccccc1OC[C@@H]1CC[NH2+]C1 ZINC000042772616 352628910 /nfs/dbraw/zinc/62/89/10/352628910.db2.gz PTQHZQYGYJINTR-GFCCVEGCSA-N 1 0 217.312 2.403 50 30 BEEARO C=C(C)C[N@@H+]1CCC[C@@H]1Cn1cc(C)cn1 ZINC000070039390 188111580 /nfs/dbraw/zinc/11/15/80/188111580.db2.gz KLGXMRROWHFCGT-CYBMUJFWSA-N 1 0 219.332 2.232 50 30 BEEARO N#CCCCC[N@@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000071875307 188113898 /nfs/dbraw/zinc/11/38/98/188113898.db2.gz FULADQYOPFTRDU-CQSZACIVSA-N 1 0 246.358 2.431 50 30 BEEARO CC(C)(C)[C@](C)(O)C#CC[NH+]1CCCCC1 ZINC000000296016 188225270 /nfs/dbraw/zinc/22/52/70/188225270.db2.gz NDHPXRNUMRFRRQ-CQSZACIVSA-N 1 0 223.360 2.273 50 30 BEEARO Fc1ccccc1C[C@@H]1[NH+]2CCC(CC2)[C@]12CO2 ZINC000004085377 181012838 /nfs/dbraw/zinc/01/28/38/181012838.db2.gz AYSSNEXAHXRWHG-LSDHHAIUSA-N 1 0 247.313 2.231 50 30 BEEARO C=C(C)C(=O)OC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000038612151 188536034 /nfs/dbraw/zinc/53/60/34/188536034.db2.gz UFLXKQBCEYNCDU-UHFFFAOYSA-N 1 0 225.332 2.415 50 30 in-vitro BEEARO N#Cc1cc(C(F)(F)F)cc2c1CC[NH2+]C2 ZINC000044136852 181085130 /nfs/dbraw/zinc/08/51/30/181085130.db2.gz CLFUZJHVOPEILW-UHFFFAOYSA-N 1 0 226.201 2.223 50 30 BEEARO N#Cc1ccc(OCC[NH2+]C2CCCC2)cc1 ZINC000002845269 181127593 /nfs/dbraw/zinc/12/75/93/181127593.db2.gz QBGWQHSMYCDLLC-UHFFFAOYSA-N 1 0 230.311 2.469 50 30 BEEARO C=CCc1c(C)nc(-c2ccccc2)[nH+]c1NN ZINC000000244240 355893558 /nfs/dbraw/zinc/89/35/58/355893558.db2.gz CMAOOHBCBYOSHV-UHFFFAOYSA-N 1 0 240.310 2.466 50 30 BEEARO Cc1ccc[n+](CC(=O)c2ccccc2)c1 ZINC000001668342 356019548 /nfs/dbraw/zinc/01/95/48/356019548.db2.gz VQUCOWCZHOXJNJ-UHFFFAOYSA-N 1 0 212.272 2.165 50 30 BEEARO Cc1c([C@@H](C)[NH3+])cnn1-c1ccc(C#N)cc1 ZINC000037065013 361623679 /nfs/dbraw/zinc/62/36/79/361623679.db2.gz VBPOLTCBZHSYAU-SECBINFHSA-N 1 0 226.283 2.072 50 30 BEEARO CCC[N@@H+]1CC[C@@H](CNc2ncccc2C#N)C1 ZINC000097159667 169207339 /nfs/dbraw/zinc/20/73/39/169207339.db2.gz DRQPVNDWRAVHEH-LBPRGKRZSA-N 1 0 244.342 2.097 50 30 BEEARO CCCOC(=O)C[n+]1csc2ccccc21 ZINC000002875022 169298501 /nfs/dbraw/zinc/29/85/01/169298501.db2.gz QVUMEZMNEBJLOW-UHFFFAOYSA-N 1 0 236.316 2.142 50 30 BEEARO Cc1ccc(C(=O)C[n+]2ccccc2C)cc1 ZINC000001598307 383910452 /nfs/dbraw/zinc/91/04/52/383910452.db2.gz DJDLHULRSHAZHU-UHFFFAOYSA-N 1 0 226.299 2.474 50 30 BEEARO CC(=O)c1ccc[n+](CC(=O)c2ccccc2)c1 ZINC000002923796 383993384 /nfs/dbraw/zinc/99/33/84/383993384.db2.gz BGUAPJQBDFVVHK-UHFFFAOYSA-N 1 0 240.282 2.060 50 30 BEEARO CC(/C=[NH+]/n1cnnc1)=C\c1ccccc1 ZINC000004676876 384067640 /nfs/dbraw/zinc/06/76/40/384067640.db2.gz TUAGATMTKGEPHX-YQQAFNMCSA-N 1 0 212.256 2.216 50 30 BEEARO C#CCN1CCN([C@@H](C)c2ccsc2)CC1 ZINC000097378923 384187337 /nfs/dbraw/zinc/18/73/37/384187337.db2.gz ZEWZOCVJWJKTPT-LBPRGKRZSA-N 1 0 234.368 2.060 50 30 BEEARO C=C(C[N+](C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000001579938 384408383 /nfs/dbraw/zinc/40/83/83/384408383.db2.gz LIKKYRBSGDYGDD-UHFFFAOYSA-N 1 0 221.280 2.314 50 30 BEEARO CC(=O)C[n+]1ccc2ccccc2c1C ZINC000015635761 384437128 /nfs/dbraw/zinc/43/71/28/384437128.db2.gz NCVFIVXZNACUCF-UHFFFAOYSA-N 1 0 200.261 2.025 50 30 BEEARO C[NH+]=C(NCc1ccccc1Cl)NC1CC1 ZINC000078748059 384460510 /nfs/dbraw/zinc/46/05/10/384460510.db2.gz DPGATTSYVIJPMN-UHFFFAOYSA-N 1 0 237.734 2.167 50 30 BEEARO C=C(C)C[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000097200455 384703870 /nfs/dbraw/zinc/70/38/70/384703870.db2.gz FPUJXUVLUUWPNX-UHFFFAOYSA-N 1 0 219.332 2.176 50 30 BEEARO C=CC[NH2+][C@@H](c1cccnc1)C1CCOCC1 ZINC000239667224 384831017 /nfs/dbraw/zinc/83/10/17/384831017.db2.gz BPNOFDLXROQJSN-CQSZACIVSA-N 1 0 232.327 2.325 50 30 BEEARO C[NH+]=C(NCC1(c2ccccc2)CC1)NC1CC1 ZINC000072270951 384901709 /nfs/dbraw/zinc/90/17/09/384901709.db2.gz BXCYXZBFMQCZIO-UHFFFAOYSA-N 1 0 243.354 2.046 50 30 BEEARO C=C(C)C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000130793723 385059740 /nfs/dbraw/zinc/05/97/40/385059740.db2.gz PERBRHAZTXHHKH-LLVKDONJSA-N 1 0 205.301 2.406 50 30 BEEARO C=C(Cl)CN1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000096452800 385175402 /nfs/dbraw/zinc/17/54/02/385175402.db2.gz UZZROWZDMFPBLE-LBPRGKRZSA-N 1 0 230.783 2.403 50 30 BEEARO C=CCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000004913175 387475305 /nfs/dbraw/zinc/47/53/05/387475305.db2.gz LSSPAGDTFDIFNO-UHFFFAOYSA-N 1 0 235.327 2.364 50 30 BEEARO Cc1ccc(C(=O)C[n+]2ccc(C)cc2)cc1 ZINC000001775914 387711592 /nfs/dbraw/zinc/71/15/92/387711592.db2.gz NMQZEEWKWNPUMB-UHFFFAOYSA-N 1 0 226.299 2.474 50 30 BEEARO C#CC[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000075831406 388355834 /nfs/dbraw/zinc/35/58/34/388355834.db2.gz NPDSALOHAANMKK-ZDUSSCGKSA-N 1 0 207.317 2.043 50 30 BEEARO CC[NH+]=C(NCC1(CC)CCC1)N(C)C ZINC000195545929 388480401 /nfs/dbraw/zinc/48/04/01/388480401.db2.gz LLFUQPBCKJHUTA-UHFFFAOYSA-N 1 0 211.353 2.094 50 30 BEEARO CC#CCC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000125549074 388788754 /nfs/dbraw/zinc/78/87/54/388788754.db2.gz LZBDWZDWSMPFBB-LLVKDONJSA-N 1 0 209.333 2.336 50 30 BEEARO CC#CCC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000125549287 388789513 /nfs/dbraw/zinc/78/95/13/388789513.db2.gz LZBDWZDWSMPFBB-NSHDSACASA-N 1 0 209.333 2.336 50 30 BEEARO Cc1cnc([C@H](C)[NH2+]CCCC#N)s1 ZINC000097085141 388833321 /nfs/dbraw/zinc/83/33/21/388833321.db2.gz KCJJSOWFFWAGDS-VIFPVBQESA-N 1 0 209.318 2.406 50 30 BEEARO CCc1nc2ccccc2n1[NH+]=C[C@@H]1CCOC1 ZINC000254582728 388837264 /nfs/dbraw/zinc/83/72/64/388837264.db2.gz FFYAKJXESKGKMS-NSHDSACASA-N 1 0 243.310 2.469 50 30 BEEARO CN(C)c1ccc(N=NC2C=CC=C[N+]2=O)cc1 ZINC000334160651 134160075 /nfs/dbraw/zinc/16/00/75/134160075.db2.gz JLNJAGUDEUATGY-UHFFFAOYSA-N 1 0 242.282 2.164 50 30 BEEARO C#CC(C)(C)[NH2+]CCC(=O)C1=CCCC1 ZINC000019626607 166113132 /nfs/dbraw/zinc/11/31/32/166113132.db2.gz SFPSMDSDLDLIEF-UHFFFAOYSA-N 1 0 205.301 2.057 50 30 BEEARO C#CC(C)(C)[NH2+]CCC(=O)C1=CCCCC1 ZINC000019536749 166113736 /nfs/dbraw/zinc/11/37/36/166113736.db2.gz PGXHRJFHUXTTCR-UHFFFAOYSA-N 1 0 219.328 2.447 50 30 BEEARO C#CCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110018 166158886 /nfs/dbraw/zinc/15/88/86/166158886.db2.gz KXMLRWJWZJWWOR-INIZCTEOSA-N 1 0 242.366 2.074 50 30 BEEARO C=CCC[C@H](CC)[NH2+]Cc1ccnn1C ZINC000095420182 166301708 /nfs/dbraw/zinc/30/17/08/166301708.db2.gz KXLYCYKGWIRJAM-NSHDSACASA-N 1 0 207.321 2.255 50 30 BEEARO C=CCC[C@](C)(O)C#CC[NH+](CC)CC ZINC000002469384 166305016 /nfs/dbraw/zinc/30/50/16/166305016.db2.gz SZAIQQIEAYFDEU-ZDUSSCGKSA-N 1 0 209.333 2.049 50 30 BEEARO C=CC[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000061782844 166324509 /nfs/dbraw/zinc/32/45/09/166324509.db2.gz KXRBILCBRZDOCH-UHFFFAOYSA-N 1 0 219.284 2.076 50 30 BEEARO C=CC[N@H+](Cc1ccccn1)C1CCOCC1 ZINC000065409370 166347441 /nfs/dbraw/zinc/34/74/41/166347441.db2.gz IWAJGNWNKRCIFJ-UHFFFAOYSA-N 1 0 232.327 2.249 50 30 BEEARO C=C[C@H](CO)[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000658334590 411343418 /nfs/dbraw/zinc/34/34/18/411343418.db2.gz NQRWGSDKWSXCGA-PSASIEDQSA-N 1 0 242.269 2.217 50 30 BEEARO CC1=C[C@H](C)[C@H](/C=[NH+]/n2cnnc2)[C@H](C)C1 ZINC000004166755 168131691 /nfs/dbraw/zinc/13/16/91/168131691.db2.gz UAUNHPQNZAJKTA-XCVAIWLTSA-N 1 0 218.304 2.350 50 30 BEEARO CC[NH2+]CC#CCOc1ccc(C)cc1C ZINC000016623933 170110000 /nfs/dbraw/zinc/11/00/00/170110000.db2.gz PDZJUWQATQCUGY-UHFFFAOYSA-N 1 0 217.312 2.295 50 30 BEEARO C[C@@H]([NH2+]CC#Cc1ccccc1)C1CCOCC1 ZINC000170090540 175863310 /nfs/dbraw/zinc/86/33/10/175863310.db2.gz DDEJXSBQLBPLPY-CQSZACIVSA-N 1 0 243.350 2.443 50 30 BEEARO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC000292940288 176304894 /nfs/dbraw/zinc/30/48/94/176304894.db2.gz HSBIDQSXWNRDAQ-GHMZBOCLSA-N 1 0 200.285 2.398 50 30 BEEARO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000069809617 177008493 /nfs/dbraw/zinc/00/84/93/177008493.db2.gz GFSWFQKYQRKRQJ-WFASDCNBSA-N 1 0 244.338 2.294 50 30 BEEARO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cccc(C#N)c1 ZINC000292940293 177262872 /nfs/dbraw/zinc/26/28/72/177262872.db2.gz HSBIDQSXWNRDAQ-WDEREUQCSA-N 1 0 200.285 2.398 50 30 BEEARO C#C[C@@H](C)[N@@H+](C)Cc1cc(OC)cc(OC)c1 ZINC000241630901 518345683 /nfs/dbraw/zinc/34/56/83/518345683.db2.gz PMHHAPKSWZXUIV-LLVKDONJSA-N 1 0 233.311 2.157 50 30 BEEARO CNC(NCc1c(C)oc2ccccc21)=[NH+]C ZINC000184815528 518571582 /nfs/dbraw/zinc/57/15/82/518571582.db2.gz HKIWHUFKXLYJRK-UHFFFAOYSA-N 1 0 231.299 2.036 50 30 BEEARO C=CCCCCC[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000248739255 518700898 /nfs/dbraw/zinc/70/08/98/518700898.db2.gz CQTIZVYLLGRCLH-CHWSQXEVSA-N 1 0 211.349 2.436 50 30 BEEARO CC[C@H](C)NC(=[NH2+])NCc1cccc(C)c1 ZINC000058308738 523820575 /nfs/dbraw/zinc/82/05/75/523820575.db2.gz SIQMOKCPMSHNHK-NSHDSACASA-N 1 0 219.332 2.198 50 30 BEEARO COC1=C/C(=C/C=C2/C=CC=CN2C)C=CC1=O ZINC000409415913 585037030 /nfs/dbraw/zinc/03/70/30/585037030.db2.gz GOQJDPSNBTVGNH-IOAOBRTFSA-N 1 0 241.290 2.481 50 30 BEEARO C#Cc1ccc(C[N@H+]2C[C@H](O)CC[C@H]2C)cc1 ZINC000817415572 586802445 /nfs/dbraw/zinc/80/24/45/586802445.db2.gz ZCGZXACHTKHQPG-IUODEOHRSA-N 1 0 229.323 2.013 50 30 BEEARO C=CCNC(NCc1cccs1)=[NH+]C1CC1 ZINC000084638128 636099925 /nfs/dbraw/zinc/09/99/25/636099925.db2.gz ZQCDCMZOKQHWNL-UHFFFAOYSA-N 1 0 235.356 2.132 50 30 BEEARO C=CCNC(N[C@@H](C)c1ccc(C)o1)=[NH+]CC ZINC000089914186 644571601 /nfs/dbraw/zinc/57/16/01/644571601.db2.gz FJHHVSHCNBKTOV-NSHDSACASA-N 1 0 235.331 2.390 50 30 BEEARO CCC[NH+]=C(NCc1ccco1)N1CCCC1 ZINC000089948065 644572756 /nfs/dbraw/zinc/57/27/56/644572756.db2.gz SYWRPUDXCSBINC-UHFFFAOYSA-N 1 0 235.331 2.231 50 30 BEEARO C#CC[N@@H+](C)Cc1cc(C)c(O)c(C)c1 ZINC000952877395 974059303 /nfs/dbraw/zinc/05/93/03/974059303.db2.gz PORUDRWSVLCGPV-UHFFFAOYSA-N 1 0 203.285 2.074 50 30 BEEARO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000128950537 136226781 /nfs/dbraw/zinc/22/67/81/136226781.db2.gz XXZDASLPAMGTDW-ZIAGYGMSSA-N 1 0 249.358 2.264 50 30 BEEARO Cc1cc[n+](CC(=O)c2cccs2)cc1 ZINC000001669517 178309202 /nfs/dbraw/zinc/30/92/02/178309202.db2.gz LWZSTTITTMHEHP-UHFFFAOYSA-N 1 0 218.301 2.227 50 30 BEEARO CC(=O)c1ccc(C[C@H](C)[NH2+]CCC#N)cc1 ZINC000096027957 342701600 /nfs/dbraw/zinc/70/16/00/342701600.db2.gz LTNKCTBKFYPDNX-NSHDSACASA-N 1 0 230.311 2.323 50 30 BEEARO C=CCc1cccc(OC)c1OCCC[NH2+]C ZINC000002844490 342727387 /nfs/dbraw/zinc/72/73/87/342727387.db2.gz NNSQCUWIZMRVFM-UHFFFAOYSA-N 1 0 235.327 2.412 50 30 BEEARO C=CC[C@@H](C(=O)OC)[N+]1(CC=C)CCCCC1 ZINC000002290392 398280943 /nfs/dbraw/zinc/28/09/43/398280943.db2.gz IWIMWDGPPHNUHZ-ZDUSSCGKSA-N 1 0 238.351 2.291 50 30 BEEARO C=CC[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000046085924 538993857 /nfs/dbraw/zinc/99/38/57/538993857.db2.gz YHRBYJYZMLFFAQ-UHFFFAOYSA-N 1 0 241.338 2.256 50 30 BEEARO C[C@H](CO)[N@H+](CCCC#N)Cc1ccccc1 ZINC000076089542 344021888 /nfs/dbraw/zinc/02/18/88/344021888.db2.gz XJHVJMDBBUCBKB-CYBMUJFWSA-N 1 0 232.327 2.173 50 30 BEEARO Cc1ccccc1NC(=[NH2+])NCC[C@H]1CCCO1 ZINC000072272425 343127147 /nfs/dbraw/zinc/12/71/47/343127147.db2.gz SCSMRXZPGCILOR-GFCCVEGCSA-N 1 0 247.342 2.291 50 30 BEEARO C=CCC[C@H](O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000247665070 344309608 /nfs/dbraw/zinc/30/96/08/344309608.db2.gz XXZDASLPAMGTDW-KBPBESRZSA-N 1 0 249.358 2.264 50 30 BEEARO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000335227908 345153433 /nfs/dbraw/zinc/15/34/33/345153433.db2.gz BPODWYZHHXRXOB-GXSJLCMTSA-N 1 0 219.263 2.003 50 30 BEEARO C#CC[NH2+]C(C)(C)COCc1ccccc1 ZINC000253393568 345644932 /nfs/dbraw/zinc/64/49/32/345644932.db2.gz LGLVDADATZHCRO-UHFFFAOYSA-N 1 0 217.312 2.205 50 30 BEEARO C=C(C)CNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000162452038 345717740 /nfs/dbraw/zinc/71/77/40/345717740.db2.gz SGSGEECFDNAOPR-UHFFFAOYSA-N 1 0 249.314 2.007 50 30 BEEARO CCC1(CNC(=[NH2+])N(C)C)CCCCC1 ZINC000195563413 347646499 /nfs/dbraw/zinc/64/64/99/347646499.db2.gz KGSNAXALVMMHDE-UHFFFAOYSA-N 1 0 211.353 2.223 50 30 BEEARO C=CCc1ccccc1OCC[NH2+]CCOC ZINC000003003255 350351533 /nfs/dbraw/zinc/35/15/33/350351533.db2.gz DKFQHYUQROCTKP-UHFFFAOYSA-N 1 0 235.327 2.030 50 30 BEEARO C=CC[N@@H+](CCO)Cc1ccc(C)s1 ZINC000093511893 166342100 /nfs/dbraw/zinc/34/21/00/166342100.db2.gz RXFYOTKDVILRKQ-UHFFFAOYSA-N 1 0 211.330 2.037 50 30 BEEARO C[N+](=O)Cc1ccc(Br)cc1 ZINC000000084684 187755327 /nfs/dbraw/zinc/75/53/27/187755327.db2.gz ADWKSSPOYGEMKW-POHAHGRESA-N 1 0 214.062 2.008 50 30 BEEARO CCCCCCCCC/C=C/[C@@H](O)[C@@H]([NH3+])CO ZINC000072399366 188086196 /nfs/dbraw/zinc/08/61/96/188086196.db2.gz VDRZDTXJMRRVMF-NXFSIWHZSA-N 1 0 243.391 2.364 50 30 in-vitro BEEARO C=C(C)C[NH+]1CCC(c2ccnn2C)CC1 ZINC000065474781 188086382 /nfs/dbraw/zinc/08/63/82/188086382.db2.gz WGCMKIOYHNDRAC-UHFFFAOYSA-N 1 0 219.332 2.176 50 30 BEEARO C=C(C)C[N@@H+]1CCCC[C@@H]1Cn1nc(C)nc1C ZINC000069600929 188111222 /nfs/dbraw/zinc/11/12/22/188111222.db2.gz QYALVAYSCIHVRM-CQSZACIVSA-N 1 0 248.374 2.326 50 30 BEEARO C=C(C)C[NH2+][C@H](C)[C@@H](C)n1cc(C)cn1 ZINC000069652958 188111236 /nfs/dbraw/zinc/11/12/36/188111236.db2.gz UUSSJNNPWBNLJS-VXGBXAGGSA-N 1 0 207.321 2.307 50 30 BEEARO C=C(C)C[NH2+][C@H](C)[C@H](C)n1cc(C)cn1 ZINC000069652957 188111370 /nfs/dbraw/zinc/11/13/70/188111370.db2.gz UUSSJNNPWBNLJS-NEPJUHHUSA-N 1 0 207.321 2.307 50 30 BEEARO C=CC1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000225484944 188155297 /nfs/dbraw/zinc/15/52/97/188155297.db2.gz GWBCUOFWZWWPSG-AWEZNQCLSA-N 1 0 244.338 2.111 50 30 BEEARO C=CC(C)(C)OC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000011027290 188162116 /nfs/dbraw/zinc/16/21/16/188162116.db2.gz RNOIAPKSWWKPDM-CYBMUJFWSA-N 1 0 241.375 2.060 50 30 BEEARO C=CCNC(=[NH2+])SCc1ccccc1 ZINC000017003427 188170419 /nfs/dbraw/zinc/17/04/19/188170419.db2.gz SWWIHCQDLCFAQW-UHFFFAOYSA-N 1 0 206.314 2.421 50 30 BEEARO C=C(C)C[N@H+](C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000047775006 188219258 /nfs/dbraw/zinc/21/92/58/188219258.db2.gz VRGUYBHFEHRGRU-OKILXGFUSA-N 1 0 239.359 2.223 50 30 BEEARO O[C@@H](C#CC[NH+]1CCCCC1)c1ccccc1 ZINC000000275404 188224768 /nfs/dbraw/zinc/22/47/68/188224768.db2.gz ZVAYTFMPEMZEEJ-HNNXBMFYSA-N 1 0 229.323 2.209 50 30 BEEARO C=C1[NH+]2CCC(CC2)[C@]1(O)c1ccccc1C ZINC000000403700 188225592 /nfs/dbraw/zinc/22/55/92/188225592.db2.gz PFKAJVHTQNHMGR-HNNXBMFYSA-N 1 0 229.323 2.422 50 30 BEEARO N#CCCC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000097101735 181036471 /nfs/dbraw/zinc/03/64/71/181036471.db2.gz OQKHHWSDFZVYOK-STQMWFEESA-N 1 0 232.331 2.260 50 30 BEEARO C=C(C)C[NH+](C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000047775005 188577282 /nfs/dbraw/zinc/57/72/82/188577282.db2.gz VRGUYBHFEHRGRU-KBPBESRZSA-N 1 0 239.359 2.223 50 30 BEEARO CC1(C)CC(=O)C=C(c2ccccc2)C[NH2+]1 ZINC000075253293 356915800 /nfs/dbraw/zinc/91/58/00/356915800.db2.gz UJUDXSDBOAUNJU-UHFFFAOYSA-N 1 0 215.296 2.411 50 30 BEEARO CC(=[NH+]C1=NN(c2ccccc2)CC1)N(C)C ZINC000252624060 364269421 /nfs/dbraw/zinc/26/94/21/364269421.db2.gz PFIBXIKDGFOOGQ-UHFFFAOYSA-N 1 0 230.315 2.190 50 30 BEEARO C=CCOCC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000282120981 371440779 /nfs/dbraw/zinc/44/07/79/371440779.db2.gz ATEHJBGGUXXTNM-NSHDSACASA-N 1 0 221.300 2.245 50 30 BEEARO C=CCOCC[NH2+][C@H](C)c1cccc(O)c1 ZINC000282120980 371441118 /nfs/dbraw/zinc/44/11/18/371441118.db2.gz ATEHJBGGUXXTNM-LLVKDONJSA-N 1 0 221.300 2.245 50 30 BEEARO O=[N+]([O-])c1cccc(NC2=[NH+]CCC2)c1 ZINC000002638307 371618009 /nfs/dbraw/zinc/61/80/09/371618009.db2.gz OLXHYDOCLOFYEL-UHFFFAOYSA-N 1 0 205.217 2.008 50 30 BEEARO O=C(C[n+]1ccccc1)c1ccc2c(c1)CCC2 ZINC000096191734 182032738 /nfs/dbraw/zinc/03/27/38/182032738.db2.gz TZBFQBHTECWRHA-UHFFFAOYSA-N 1 0 238.310 2.346 50 30 BEEARO CC(C)(C)C(=[NH2+])NOC(=O)c1cccs1 ZINC000039932000 373062463 /nfs/dbraw/zinc/06/24/63/373062463.db2.gz YIFZQQGJUBRHSM-UHFFFAOYSA-N 1 0 226.301 2.223 50 30 BEEARO C#C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccccc1 ZINC000383304067 374283700 /nfs/dbraw/zinc/28/37/00/374283700.db2.gz MIWVTMBDOGMGSV-QEJZJMRPSA-N 1 0 229.323 2.376 50 30 BEEARO O=CC1CC[NH+](Cc2cccs2)CC1 ZINC000012370794 384316974 /nfs/dbraw/zinc/31/69/74/384316974.db2.gz OFWNPGKHQWPCKS-UHFFFAOYSA-N 1 0 209.314 2.159 50 30 BEEARO C#CC[N+](C)(C)CC(=O)c1ccc(Cl)cc1 ZINC000004349179 384327153 /nfs/dbraw/zinc/32/71/53/384327153.db2.gz QBYVKXZWZOXOSV-UHFFFAOYSA-N 1 0 236.722 2.232 50 30 BEEARO C=C(Cl)C[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000096447069 384938205 /nfs/dbraw/zinc/93/82/05/384938205.db2.gz AFVUPVUAGYJLBA-NSHDSACASA-N 1 0 239.750 2.037 50 30 BEEARO C[NH+](C)CCc1[nH]c2ccccc2c1CC#N ZINC000032297364 385142881 /nfs/dbraw/zinc/14/28/81/385142881.db2.gz AJIYCCVLGHIPHC-UHFFFAOYSA-N 1 0 227.311 2.338 50 30 BEEARO CC#CC[NH2+][C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000072308127 385234138 /nfs/dbraw/zinc/23/41/38/385234138.db2.gz YBJLULBQTKFDRF-TZMCWYRMSA-N 1 0 223.360 2.177 50 30 BEEARO CC#CC[NH2+][C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000072308130 385234330 /nfs/dbraw/zinc/23/43/30/385234330.db2.gz YBJLULBQTKFDRF-JSGCOSHPSA-N 1 0 223.360 2.177 50 30 BEEARO C=C(Cl)C[N@H+](CC)C[C@@H]1CCOC1 ZINC000052072307 385638918 /nfs/dbraw/zinc/63/89/18/385638918.db2.gz ZYLIYHABYVZALL-JTQLQIEISA-N 1 0 203.713 2.097 50 30 BEEARO CCNC(NCc1cccc(Cl)c1)=[NH+]CC ZINC000066242417 387426040 /nfs/dbraw/zinc/42/60/40/387426040.db2.gz NYOONAAFNTZQGC-UHFFFAOYSA-N 1 0 239.750 2.415 50 30 BEEARO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000089761625 388366968 /nfs/dbraw/zinc/36/69/68/388366968.db2.gz FZRRTWUADJAAEY-AWEZNQCLSA-N 1 0 244.338 2.294 50 30 BEEARO C#CC[NH+]1CCC(OCc2ccccc2)CC1 ZINC000069454217 388416519 /nfs/dbraw/zinc/41/65/19/388416519.db2.gz WZRCQYPLSUKMIU-UHFFFAOYSA-N 1 0 229.323 2.301 50 30 BEEARO C[C@H]([C@H](C)[NH2+]CCCCC#N)n1cccn1 ZINC000069972422 388430763 /nfs/dbraw/zinc/43/07/63/388430763.db2.gz DLYGMRPNBXQQPH-NWDGAFQWSA-N 1 0 220.320 2.116 50 30 BEEARO C=CCCCCC[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000194360206 388487966 /nfs/dbraw/zinc/48/79/66/388487966.db2.gz CQTIZVYLLGRCLH-STQMWFEESA-N 1 0 211.349 2.436 50 30 BEEARO Cc1sc([NH+]=CN(C)C)c(C#N)c1C ZINC000254839083 388670541 /nfs/dbraw/zinc/67/05/41/388670541.db2.gz YVVFRWHFZXGSBV-UHFFFAOYSA-N 1 0 207.302 2.458 50 30 BEEARO C[NH+](C)CCSCc1ccc(F)cc1C#N ZINC000095441040 388770760 /nfs/dbraw/zinc/77/07/60/388770760.db2.gz OTCOWQOLTZMISU-UHFFFAOYSA-N 1 0 238.331 2.492 50 30 BEEARO C=CC[N@@H+](CC)Cc1ccc2c(c1)OCO2 ZINC000053132502 166325495 /nfs/dbraw/zinc/32/54/95/166325495.db2.gz FJPCZOUVMYHTBB-UHFFFAOYSA-N 1 0 219.284 2.423 50 30 BEEARO C=CCOCC[N+]1(C)Cc2ccccc2C1 ZINC000026806053 166421263 /nfs/dbraw/zinc/42/12/63/166421263.db2.gz DEOBIGSWLGNBCK-UHFFFAOYSA-N 1 0 218.320 2.349 50 30 BEEARO CC(=O)c1ccc[n+](CC(=O)c2cccs2)c1 ZINC000005613577 166469592 /nfs/dbraw/zinc/46/95/92/166469592.db2.gz JWLAONPSQPSZRN-UHFFFAOYSA-N 1 0 246.311 2.121 50 30 BEEARO C=C(C)C[N@@H+](CC)Cc1cccc(C(N)=O)c1 ZINC000047466492 411121744 /nfs/dbraw/zinc/12/17/44/411121744.db2.gz KGXBRNDQXKKVKL-UHFFFAOYSA-N 1 0 232.327 2.184 50 30 BEEARO CCNC(N[C@@H](C)c1ccccc1OC)=[NH+]CC ZINC000096402685 167862512 /nfs/dbraw/zinc/86/25/12/167862512.db2.gz NIIZPKJAEASLRN-NSHDSACASA-N 1 0 249.358 2.331 50 30 BEEARO CCNC(NCc1ccccc1OCC)=[NH+]CC ZINC000066244635 170042451 /nfs/dbraw/zinc/04/24/51/170042451.db2.gz DSJAZJOEOLWUKZ-UHFFFAOYSA-N 1 0 249.358 2.160 50 30 BEEARO CC[NH2+]CC#CCOc1ccc(C)c(C)c1 ZINC000016622948 170109580 /nfs/dbraw/zinc/10/95/80/170109580.db2.gz MHLLKAFXBGUUPP-UHFFFAOYSA-N 1 0 217.312 2.295 50 30 BEEARO CN(C)/C=[NH+]/c1ccc(Br)cn1 ZINC000005586250 172351856 /nfs/dbraw/zinc/35/18/56/172351856.db2.gz KLPIAUFTPZZJFX-IZZDOVSWSA-N 1 0 228.093 2.066 50 30 BEEARO COc1ccc(C2(C#N)CC[NH+](C)CC2)cc1 ZINC000004595165 175083330 /nfs/dbraw/zinc/08/33/30/175083330.db2.gz USVAOKPYGQRLBI-UHFFFAOYSA-N 1 0 230.311 2.182 50 30 BEEARO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CC#N ZINC000077371674 176306161 /nfs/dbraw/zinc/30/61/61/176306161.db2.gz IWTJNJZYNZMQQE-CQSZACIVSA-N 1 0 243.354 2.106 50 30 BEEARO C[C@H](CC#N)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000195531450 176597014 /nfs/dbraw/zinc/59/70/14/176597014.db2.gz OZDBRHIAFNOZLX-KGLIPLIRSA-N 1 0 235.375 2.096 50 30 BEEARO C[C@H](O)[C@@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000097162229 177008050 /nfs/dbraw/zinc/00/80/50/177008050.db2.gz FTCRBVXASDEVFN-QWHCGFSZSA-N 1 0 238.375 2.409 50 30 BEEARO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CCCC#N)C1 ZINC000080901807 177063829 /nfs/dbraw/zinc/06/38/29/177063829.db2.gz LNHINPKYCKLPQK-JSGCOSHPSA-N 1 0 238.375 2.457 50 30 BEEARO C=CCc1ccccc1O[C@H](C)C1=[NH+]CCN1 ZINC000040957105 323158291 /nfs/dbraw/zinc/15/82/91/323158291.db2.gz MNMDMCKHXVHLAW-LLVKDONJSA-N 1 0 230.311 2.184 50 30 BEEARO CC#CCCCOC(=O)c1ccn2c[nH+]cc2c1 ZINC000097034345 490304807 /nfs/dbraw/zinc/30/48/07/490304807.db2.gz RJQBMLFWGGEMPV-UHFFFAOYSA-N 1 0 242.278 2.295 50 30 BEEARO C#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)cc1 ZINC000253430329 518358375 /nfs/dbraw/zinc/35/83/75/518358375.db2.gz QHVFNCQWGGNMKM-HUUCEWRRSA-N 1 0 229.323 2.061 50 30 BEEARO C=CC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000328598354 518654768 /nfs/dbraw/zinc/65/47/68/518654768.db2.gz LSHKMQOKPXXMFF-SNVBAGLBSA-N 1 0 224.329 2.493 50 30 BEEARO C=CC[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000056316233 518860156 /nfs/dbraw/zinc/86/01/56/518860156.db2.gz BCRYHCPQNGYSMU-LLVKDONJSA-N 1 0 240.347 2.162 50 30 BEEARO CC(C)=CCCNC(=[NH2+])NCC1CCC1 ZINC000252508472 519402415 /nfs/dbraw/zinc/40/24/15/519402415.db2.gz XNTUDFNNHVGLJZ-UHFFFAOYSA-N 1 0 209.337 2.047 50 30 BEEARO [NH2+]=C(NCc1ccc(C(F)F)cc1)NC1CC1 ZINC000184847151 526805275 /nfs/dbraw/zinc/80/52/75/526805275.db2.gz AXNPQQMYTMGDEO-UHFFFAOYSA-N 1 0 239.269 2.191 50 30 BEEARO COc1ccc(NC(=[NH2+])NCc2ccco2)cc1 ZINC000104151930 592602253 /nfs/dbraw/zinc/60/22/53/592602253.db2.gz OSIGOQQRJTXIRT-UHFFFAOYSA-N 1 0 245.282 2.215 50 30 BEEARO C=CCc1cccc(OC)c1OCC[NH+](C)C ZINC000016247689 636259004 /nfs/dbraw/zinc/25/90/04/636259004.db2.gz ZGGOUBOUQBBUAG-UHFFFAOYSA-N 1 0 235.327 2.364 50 30 BEEARO