smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CCC[C@@H](c2cnc(N3CCC(C(N)=O)CC3)cn2)C1 ZINC000072364955 191134312 /nfs/dbraw/zinc/13/43/12/191134312.db2.gz ITEYYABVGKTWOS-CYBMUJFWSA-N 1 0 303.410 0.988 40 0 DCABRO CS(=O)(=O)N1CC[C@](O)(C[N@@H+]2CCc3ccccc3C2)C1 ZINC000072369226 191139379 /nfs/dbraw/zinc/13/93/79/191139379.db2.gz AQFGTKUWFUWCPB-HNNXBMFYSA-N 1 0 310.419 0.441 40 0 DCABRO C[NH+](C)Cc1ccc(C(=O)N2CCO[C@](C)(C(N)=O)C2)cc1 ZINC000072378242 191140230 /nfs/dbraw/zinc/14/02/30/191140230.db2.gz KTPBRYXBQKYXGI-INIZCTEOSA-N 1 0 305.378 0.465 40 0 DCABRO Cc1nc(NCC(=O)N2CCCCC2)cc([C@H]2C[NH2+]CCO2)n1 ZINC000072387082 191145428 /nfs/dbraw/zinc/14/54/28/191145428.db2.gz WDRONXYQAITMPW-CQSZACIVSA-N 1 0 319.409 0.870 40 0 DCABRO Cc1ccc(NC(=[NH2+])NC(=N)NC(=O)c2nccnc2N)cc1 ZINC000003850486 181049911 /nfs/dbraw/zinc/04/99/11/181049911.db2.gz LXNQQDQMLPWPAM-UHFFFAOYSA-N 1 0 312.337 0.668 40 0 DCABRO NC(=O)[C@H]([NH3+])CCC[C@@H]1NC(=S)N(c2ccccc2)C1=O ZINC000006575382 181356475 /nfs/dbraw/zinc/35/64/75/181356475.db2.gz XZPWKRZDRFWUGL-MNOVXSKESA-N 1 0 306.391 0.259 40 0 DCABRO CS(=O)(=O)N[C@@H]1C[N@H+](Cc2cccc3ccccc32)C[C@H]1O ZINC000257300264 203025958 /nfs/dbraw/zinc/02/59/58/203025958.db2.gz RTRBELNVRJJRJU-HZPDHXFCSA-N 1 0 320.414 0.934 40 0 DCABRO Cc1nc([C@H]2COCCN2C(=O)C2CC[NH2+]CC2)cc(=O)[nH]1 ZINC000257290417 203015452 /nfs/dbraw/zinc/01/54/52/203015452.db2.gz QCWHHPBIKGDABW-CYBMUJFWSA-N 1 0 306.366 0.390 40 0 DCABRO C[C@@]12C[C@H](C[NH3+])N(C(=O)c3cnccn3)[C@@H]1CCCC[C@H]2O ZINC000257292994 203017004 /nfs/dbraw/zinc/01/70/04/203017004.db2.gz QNSXDFWZGYEDAS-XKVFNRALSA-N 1 0 304.394 0.960 40 0 DCABRO C[NH2+][C@@H]1CO[C@@H]2CCN(C(=O)c3ccncn3)C[C@@H]2C[C@@]1(C)O ZINC000257292330 203017776 /nfs/dbraw/zinc/01/77/76/203017776.db2.gz QKZZUKKWBIKQEJ-ADSMDIBLSA-N 1 0 320.393 0.067 40 0 DCABRO [NH3+]C1(C(=O)N2CCOC[C@H](Cc3ccncn3)C2)CCCC1 ZINC000257337107 203058035 /nfs/dbraw/zinc/05/80/35/203058035.db2.gz YRKORMIVGWOCQU-CYBMUJFWSA-N 1 0 304.394 0.766 40 0 DCABRO C[NH+](C)C[C@]1(O)CCN(C(=O)CCc2cc(Cl)no2)C1 ZINC000257342929 203065422 /nfs/dbraw/zinc/06/54/22/203065422.db2.gz ZQRDTIQFGOMWTC-CYBMUJFWSA-N 1 0 301.774 0.786 40 0 DCABRO CCOc1ccc(NC(=O)C[C@H]2OCCN(CC[NH3+])C2=O)cc1 ZINC000017055738 182073279 /nfs/dbraw/zinc/07/32/79/182073279.db2.gz MUDCXTWHTLCQBJ-CQSZACIVSA-N 1 0 321.377 0.600 40 0 DCABRO CC(C)C(=O)N1CC[C@H](c2nn(CC[NH3+])c3nccnc23)C1 ZINC000019085130 182104697 /nfs/dbraw/zinc/10/46/97/182104697.db2.gz GASQKCDFSSXBCK-NSHDSACASA-N 1 0 302.382 0.757 40 0 DCABRO CCn1nccc1C(=O)N1CCC[C@@H](NC(=O)C[NH+](C)C)CC1 ZINC000019749096 182143627 /nfs/dbraw/zinc/14/36/27/182143627.db2.gz DHACBBHXCMJEMP-CYBMUJFWSA-N 1 0 321.425 0.576 40 0 DCABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(F)cc2)[C@H]1S(C)(=O)=O ZINC000252514338 257106574 /nfs/dbraw/zinc/10/65/74/257106574.db2.gz CLEKZLFEZSGJQW-OUCADQQQSA-N 1 0 315.366 0.844 40 0 DCABRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000012362097 395687387 /nfs/dbraw/zinc/68/73/87/395687387.db2.gz JIZOYWILBJVMIL-SNVBAGLBSA-N 1 0 324.406 0.619 40 0 DCABRO CN(C)c1cc(NC[C@@H]2CC[C@@]3(C[NH2+]CCOC3)O2)ncn1 ZINC000096160694 395746663 /nfs/dbraw/zinc/74/66/63/395746663.db2.gz OBCPOJDJEPOULR-WFASDCNBSA-N 1 0 307.398 0.492 40 0 DCABRO Cn1ccnc1C(=O)NC[C@@H]1OC[C@H]2C[N@H+](CC3CC3)CC[C@@H]12 ZINC000096185333 395747584 /nfs/dbraw/zinc/74/75/84/395747584.db2.gz FINBABQQKUEXBD-KFWWJZLASA-N 1 0 318.421 0.897 40 0 DCABRO Cn1cc(C(=O)N[C@H]2C[N@H+]([C@@H]3CCOC3)[C@@H]3CCCO[C@@H]32)cn1 ZINC000096186880 395747902 /nfs/dbraw/zinc/74/79/02/395747902.db2.gz ALZYCEAWSAZNGV-LXTVHRRPSA-N 1 0 320.393 0.171 40 0 DCABRO O=C([C@@H]1C[N@H+](CC2CC2)CC12CCOCC2)N1CCOCC1 ZINC000096052234 395741447 /nfs/dbraw/zinc/74/14/47/395741447.db2.gz IZSIIXYLZWVIGH-HNNXBMFYSA-N 1 0 308.422 0.984 40 0 DCABRO CNC(=O)CO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccnc1)C2 ZINC000096073542 395743021 /nfs/dbraw/zinc/74/30/21/395743021.db2.gz UHJXNMAQHYXALH-WBVHZDCISA-N 1 0 319.405 0.968 40 0 DCABRO COC(=O)CCC(=O)N1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC000096080929 395743103 /nfs/dbraw/zinc/74/31/03/395743103.db2.gz LAYMJYJCQJXHHA-ZIAGYGMSSA-N 1 0 317.389 0.925 40 0 DCABRO C[NH+](C)CC(=O)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000096100060 395744482 /nfs/dbraw/zinc/74/44/82/395744482.db2.gz XSZXODWVKGURBH-YCPHGPKFSA-N 1 0 305.378 0.780 40 0 DCABRO COc1ncccc1C[NH+]1CCC2(CC1)OCC(=O)N[C@@H]2C ZINC000096201484 395748923 /nfs/dbraw/zinc/74/89/23/395748923.db2.gz IJPPCGPDIKPKIP-GFCCVEGCSA-N 1 0 305.378 0.960 40 0 DCABRO CC(C)C[N@@H+]1CCNC(=O)C12CCN(Cc1nccn1C)CC2 ZINC000096230169 395750870 /nfs/dbraw/zinc/75/08/70/395750870.db2.gz FHOFXUXRBAHYOK-UHFFFAOYSA-N 1 0 319.453 0.843 40 0 DCABRO C[NH+](C)CCN1CCO[C@H]2CCN(C(=O)c3ccc[nH]3)CC[C@H]21 ZINC000247964910 395980204 /nfs/dbraw/zinc/98/02/04/395980204.db2.gz GHWSSYHBBSJLMA-CVEARBPZSA-N 1 0 320.437 0.882 40 0 DCABRO Cn1cnc(C(=O)NC[C@H]2C[C@]3(C)[C@@H](CCCC[C@@H]3O)[NH2+]2)c1 ZINC000257213649 396037658 /nfs/dbraw/zinc/03/76/58/396037658.db2.gz CINKGEAUYOGKQO-OEYIWLLWSA-N 1 0 306.410 0.822 40 0 DCABRO Cn1nccc1CNC(=O)[C@@H]1CN(c2ccc(F)cc2)CC[NH2+]1 ZINC000257209040 396038398 /nfs/dbraw/zinc/03/83/98/396038398.db2.gz BOTAVHQFBZCWBD-HNNXBMFYSA-N 1 0 317.368 0.654 40 0 DCABRO Cc1ccnc([C@H]2CC[N@@H+](C3CCN(S(C)(=O)=O)CC3)C2)n1 ZINC000257214670 396039357 /nfs/dbraw/zinc/03/93/57/396039357.db2.gz CMYPYGPMKRYWNB-ZDUSSCGKSA-N 1 0 324.450 0.998 40 0 DCABRO Cc1ncc(C(=O)N(C)[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)cn1 ZINC000257247319 396042473 /nfs/dbraw/zinc/04/24/73/396042473.db2.gz IYKVBBFDKCDKHO-RBSFLKMASA-N 1 0 304.394 0.845 40 0 DCABRO CN(C[C@]1(O)CCN(c2cccc3nccn32)C1)C(=O)CC[NH3+] ZINC000257249780 396043478 /nfs/dbraw/zinc/04/34/78/396043478.db2.gz JJSNUJFXHBQFNJ-MRXNPFEDSA-N 1 0 317.393 0.083 40 0 DCABRO Cc1cnc(C(=O)N(C)[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)cn1 ZINC000257256001 396044771 /nfs/dbraw/zinc/04/47/71/396044771.db2.gz KJRVWXDAMUSYNS-RBSFLKMASA-N 1 0 304.394 0.845 40 0 DCABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CC[C@@H](CN(C(=O)c1ncccn1)C2)[C@H]3O ZINC000257266425 396045053 /nfs/dbraw/zinc/04/50/53/396045053.db2.gz MCYYUSLHBZUVGK-CGEFAEBTSA-N 1 0 316.405 0.782 40 0 DCABRO C[NH+]1CCC(C)(C(=O)N2CCC[C@](O)(CCC(N)=O)C2)CC1 ZINC000585279689 396645406 /nfs/dbraw/zinc/64/54/06/396645406.db2.gz XGNQDFSSHUNKQX-INIZCTEOSA-N 1 0 311.426 0.337 40 0 DCABRO CCC[NH2+]C[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O ZINC000585289364 396647568 /nfs/dbraw/zinc/64/75/68/396647568.db2.gz FIFRXSSIXVFDOI-WMZOPIPTSA-N 1 0 320.433 0.943 40 0 DCABRO CCC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(c2cnccn2)CC1 ZINC000585106094 396639261 /nfs/dbraw/zinc/63/92/61/396639261.db2.gz LGFSELSSZSTJOL-KGLIPLIRSA-N 1 0 315.421 0.903 40 0 DCABRO C[NH+](C)CCC(=O)N1Cc2ccnn2C[C@@H](OCC2CC2)C1 ZINC000585099177 396639445 /nfs/dbraw/zinc/63/94/45/396639445.db2.gz RLJAVSZWDCJHLB-HNNXBMFYSA-N 1 0 306.410 0.972 40 0 DCABRO [NH3+][C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2cccnc2)n1 ZINC000604382038 397638939 /nfs/dbraw/zinc/63/89/39/397638939.db2.gz AEWNROMXVSCIBM-KBUPBQIOSA-N 1 0 300.362 0.398 40 0 biogenic,in-vitro DCABRO O=C(CN1CC[NH2+]CC1)Nc1ccc(Cn2cnnc2)cc1 ZINC000023292109 415158040 /nfs/dbraw/zinc/15/80/40/415158040.db2.gz VXDVUDSNTUMTOV-UHFFFAOYSA-N 1 0 300.366 0.170 40 0 DCABRO Cc1ccc(S(=O)(=O)N(C)CC(=O)NCC[NH+](C)C)cc1 ZINC000045164875 415243897 /nfs/dbraw/zinc/24/38/97/415243897.db2.gz PQCKYVXCQPMKNS-UHFFFAOYSA-N 1 0 313.423 0.293 40 0 DCABRO CC(C)[N@@H+]1CCO[C@]2(C1)COCCN(Cc1cnn(C)c1)C2 ZINC000096228944 415574651 /nfs/dbraw/zinc/57/46/51/415574651.db2.gz PLQCURFAOXVDLK-MRXNPFEDSA-N 1 0 308.426 0.732 40 0 DCABRO C[NH+](C)CC(=O)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC000096072519 276776776 /nfs/dbraw/zinc/77/67/76/276776776.db2.gz ATAAXPFOLVMUFV-GDBMZVCRSA-N 1 0 305.378 0.782 40 0 DCABRO CC(C)(C(=O)N1CC[C@](O)(C[NH+]2CCCC2)C1)n1cncn1 ZINC000257203634 277123298 /nfs/dbraw/zinc/12/32/98/277123298.db2.gz AQXYLSHIEYCNOO-HNNXBMFYSA-N 1 0 307.398 0.072 40 0 DCABRO CN1c2ncccc2S(=O)(=O)N(C)[C@@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC000306141197 290322313 /nfs/dbraw/zinc/32/23/13/290322313.db2.gz VOCSPVVGTKZYMS-CHWSQXEVSA-N 1 0 322.434 0.615 40 0 DCABRO CC(=O)N1CCN(Cc2ccoc2)C[C@@]2(CC(=O)N(C)C2)C1 ZINC000097952732 332203501 /nfs/dbraw/zinc/20/35/01/332203501.db2.gz JJABJFSUBHBLMX-INIZCTEOSA-N 1 0 305.378 0.792 40 0 DCABRO O[C@@H]1[C@@H]([NH2+]Cc2ccccc2)CCC[C@]12COC[C@H](O)[C@H](O)C2 ZINC001547139882 1016185442 /nfs/dbraw/zinc/18/54/42/1016185442.db2.gz HBTCITSUTIIKCF-RZFLPCETSA-N 1 0 321.417 0.818 40 0 DCABRO CN1[C@@H]2C[N@@H+](C3CCC(F)(F)CC3)C[C@@H]2OCCS1(=O)=O ZINC001534640221 1011600707 /nfs/dbraw/zinc/60/07/07/1011600707.db2.gz VRKKUGRFRBOZMB-NEPJUHHUSA-N 1 0 324.393 0.909 40 0 DCABRO C[NH+]1CCN(C[C@H]2CC3(CCN(C(=O)C4CC4)CC3)O2)CC1 ZINC000306142438 529773073 /nfs/dbraw/zinc/77/30/73/529773073.db2.gz WZIOHRNARIGWGL-OAHLLOKOSA-N 1 0 307.438 0.794 40 0 DCABRO Cc1nc(CCC(=O)N(C)CCO)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000072366472 191135810 /nfs/dbraw/zinc/13/58/10/191135810.db2.gz QZSKLAQUQFEUEC-CYBMUJFWSA-N 1 0 306.410 0.635 40 0 DCABRO COCCNc1ccc(C[C@H]2CCCN(C(=O)C[NH3+])C2)nn1 ZINC000072387254 191145340 /nfs/dbraw/zinc/14/53/40/191145340.db2.gz MJNMFFJEMHMEHD-GFCCVEGCSA-N 1 0 307.398 0.275 40 0 DCABRO C[NH2+][C@H]1CC2(CCN(C(=O)c3ccncn3)CC2)OC[C@]1(C)O ZINC000257305567 203030221 /nfs/dbraw/zinc/03/02/21/203030221.db2.gz SQOJHHFIWNLDSP-ZFWWWQNUSA-N 1 0 320.393 0.211 40 0 DCABRO CNC(=O)[C@H]1CN(C(=O)CCc2c(C)noc2C)CC[N@H+](C)C1 ZINC000257278943 203008466 /nfs/dbraw/zinc/00/84/66/203008466.db2.gz OEIKFSOBWWUJHF-CYBMUJFWSA-N 1 0 322.409 0.360 40 0 DCABRO CNC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2ccn(C)n2)c1 ZINC000257330320 203052944 /nfs/dbraw/zinc/05/29/44/203052944.db2.gz XNWIMUYYXPEHBL-INIZCTEOSA-N 1 0 313.405 0.926 40 0 DCABRO CCCC(=O)N1CC[C@H](c2nn(CC[NH3+])c3nccnc23)C1 ZINC000019501079 182126116 /nfs/dbraw/zinc/12/61/16/182126116.db2.gz BLACZOPTSVYAEB-NSHDSACASA-N 1 0 302.382 0.901 40 0 DCABRO COCCN[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]CC2CCCCC2)[C@@H]1O ZINC000020463791 182220846 /nfs/dbraw/zinc/22/08/46/182220846.db2.gz DSVFOYYJEUJJAS-DGXTUMSLSA-N 1 0 314.426 0.246 40 0 biogenic,in-vitro DCABRO O=C([C@H]1CCOC1)N1Cc2nccn2C[C@@H](C[NH+]2CCCC2)C1 ZINC000096188398 395747659 /nfs/dbraw/zinc/74/76/59/395747659.db2.gz OIPRKVSRLJUVCX-CABCVRRESA-N 1 0 318.421 0.974 40 0 DCABRO C[N@@H+]1[C@@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]3CCCO3)CC[C@@H]21 ZINC000096185682 395747866 /nfs/dbraw/zinc/74/78/66/395747866.db2.gz PFTYMSKWFCUJHT-WCVJEAGWSA-N 1 0 318.421 0.983 40 0 DCABRO CN(C)C(=O)COC[C@H]1C[N@@H+](C2CCC2)Cc2nnn(C)c21 ZINC000096198577 395748867 /nfs/dbraw/zinc/74/88/67/395748867.db2.gz WTTBAKAOTXHHMF-LLVKDONJSA-N 1 0 307.398 0.372 40 0 DCABRO O=C1CO[C@]2(CN1c1ccccn1)COCC[N@H+](CC1CC1)C2 ZINC000096051376 395741475 /nfs/dbraw/zinc/74/14/75/395741475.db2.gz FFXRGTMMVVLHPM-QGZVFWFLSA-N 1 0 317.389 0.926 40 0 DCABRO C[NH+](C)CC(=O)N1C[C@@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000096065928 395742632 /nfs/dbraw/zinc/74/26/32/395742632.db2.gz XSZXODWVKGURBH-FMKPAKJESA-N 1 0 305.378 0.780 40 0 DCABRO O=C1CCCN1C[C@@H]1Cn2ccnc2C[N@H+](C[C@H]2CCOC2)C1 ZINC000107209592 395784818 /nfs/dbraw/zinc/78/48/18/395784818.db2.gz AMOUVZRXLRPKGM-CABCVRRESA-N 1 0 318.421 0.974 40 0 DCABRO CS(=O)(=O)N[C@@H]1COC[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000247499557 395974864 /nfs/dbraw/zinc/97/48/64/395974864.db2.gz FDVRACNPDJVJHV-MELADBBJSA-N 1 0 311.407 0.078 40 0 DCABRO O=S1(=O)CCN(c2cncc(C[C@@H]3CCC[NH2+]CC3)n2)CC1 ZINC000257210073 396038182 /nfs/dbraw/zinc/03/81/82/396038182.db2.gz BTAQKFASGOPQPR-CYBMUJFWSA-N 1 0 324.450 0.644 40 0 DCABRO Cn1nccc1C[N@@H+]1CCOC[C@@H](Cc2cc(=O)[nH]cn2)C1 ZINC000257243039 396042582 /nfs/dbraw/zinc/04/25/82/396042582.db2.gz IFGROXCPBDEDFO-LBPRGKRZSA-N 1 0 303.366 0.607 40 0 DCABRO C[NH+]1CCC(N2CC[C@@](C)(O)[C@H](n3ccc(=O)[nH]c3=O)C2)CC1 ZINC000257258273 396044417 /nfs/dbraw/zinc/04/44/17/396044417.db2.gz KTCMDQGNGKETIZ-CZUORRHYSA-N 1 0 322.409 0.041 40 0 DCABRO Cc1ccc(OC[C@]2(O)COCC[N@H+](CCC(N)=O)C2)cc1 ZINC000585268986 396643301 /nfs/dbraw/zinc/64/33/01/396643301.db2.gz GNTCWDUJTHCVDL-MRXNPFEDSA-N 1 0 308.378 0.313 40 0 DCABRO CN(C(=O)/C=C/c1cnn(C)c1)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000585288924 396647518 /nfs/dbraw/zinc/64/75/18/396647518.db2.gz AUQCTBQTRFSBAS-XDIASTCQSA-N 1 0 318.421 0.879 40 0 DCABRO COCC(=O)N1C[C@@H]2COCCN2C2(C[NH+](C3CCCC3)C2)C1 ZINC000604380998 397638917 /nfs/dbraw/zinc/63/89/17/397638917.db2.gz ANNDHOGCFAUSHP-OAHLLOKOSA-N 1 0 323.437 0.173 40 0 biogenic,in-vitro DCABRO c1cnc(N2CC3(C2)CC[C@H](C[NH+]2CCOCC2)CO3)nc1 ZINC000247953452 296633287 /nfs/dbraw/zinc/63/32/87/296633287.db2.gz KYKJQMMKHIXXBC-CQSZACIVSA-N 1 0 304.394 0.794 40 0 DCABRO Cc1cnc(N2CCOC[C@@]3(CCN(CC[NH+](C)C)C3)C2)nc1 ZINC000096070354 415577933 /nfs/dbraw/zinc/57/79/33/415577933.db2.gz OOVFKKXGFYNSAN-QGZVFWFLSA-N 1 0 319.453 0.875 40 0 DCABRO CNC(=O)[C@@H]1C[C@H]2CN(C(=O)C3CCOCC3)C[C@H]2[N@@H+]1C(C)C ZINC000096054247 415578607 /nfs/dbraw/zinc/57/86/07/415578607.db2.gz GJDKEPMLMHHNQP-SOUVJXGZSA-N 1 0 323.437 0.469 40 0 DCABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccccc1OC ZINC000298094422 415992096 /nfs/dbraw/zinc/99/20/96/415992096.db2.gz IUNJUSANADQCKX-AWEZNQCLSA-N 1 0 319.405 0.912 40 0 DCABRO CN(C)C(=O)CO[C@@H]1Cn2cccc2C[N@@H+](C2CCOCC2)C1 ZINC000247988989 416333058 /nfs/dbraw/zinc/33/30/58/416333058.db2.gz LBSSVDWBBBRUTF-MRXNPFEDSA-N 1 0 321.421 0.956 40 0 DCABRO CN(C)C(=O)[C@@H]1CN(C)CCN1C(=O)CCOc1ccccc1 ZINC000257227032 416334935 /nfs/dbraw/zinc/33/49/35/416334935.db2.gz FNIRMOXNLLGXGD-HNNXBMFYSA-N 1 0 319.405 0.686 40 0 DCABRO CCNc1nc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cs1 ZINC000452391834 417485264 /nfs/dbraw/zinc/48/52/64/417485264.db2.gz QMOOTJFZQKWQCS-LLVKDONJSA-N 1 0 312.439 1.152 40 0 DCABRO Cn1cccc1C(=O)N1CCc2ncc(C[NH+](C)C)n2CC1 ZINC000096196793 273803133 /nfs/dbraw/zinc/80/31/33/273803133.db2.gz CEKXUESXUVAINC-UHFFFAOYSA-N 1 0 301.394 0.982 40 0 DCABRO C[C@@]1(O)CC2(CC[NH2+]CC2)OC[C@H]1n1cnc2c1ncnc2N ZINC000257293268 289204081 /nfs/dbraw/zinc/20/40/81/289204081.db2.gz QOUDICLYPBEZMA-QMTHXVAHSA-N 1 0 318.381 0.243 40 0 DCABRO O[C@@H]1[C@@H](n2cccn2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000952844819 768908693 /nfs/dbraw/zinc/90/86/93/768908693.db2.gz LQJIXCGDTZJYEN-DGXTUMSLSA-N 1 0 319.336 0.838 40 0 biogenic,in-vitro DCABRO COc1ccc(CN2[C@@H]3C[NH2+]C[C@@H]3OCCS2(=O)=O)cc1 ZINC001534639732 1011601075 /nfs/dbraw/zinc/60/10/75/1011601075.db2.gz AXZJKEBEIDFWIR-KGLIPLIRSA-N 1 0 312.391 0.198 40 0 DCABRO O[C@@H]1[C@@H](n2cncn2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]CC1CCCCC1 ZINC001534639836 1011601507 /nfs/dbraw/zinc/60/15/07/1011601507.db2.gz JZHANBCWQRDBLA-ARILJUKYSA-N 1 0 308.382 0.474 40 0 DCABRO C[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H]3CCCO3)CC[C@@H]21 ZINC000306135987 529831695 /nfs/dbraw/zinc/83/16/95/529831695.db2.gz PFTYMSKWFCUJHT-FXUDXRNXSA-N 1 0 318.421 0.983 40 0 DCABRO CC[NH+](CC)CCOC(=O)c1ccccc1S(N)(=O)=O ZINC000001704691 180889673 /nfs/dbraw/zinc/88/96/73/180889673.db2.gz HDSIUZDYXGUVHW-UHFFFAOYSA-N 1 0 300.380 0.833 40 0 DCABRO CC[NH+](CC)CCSc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000001713387 180890951 /nfs/dbraw/zinc/89/09/51/180890951.db2.gz PSUOPXCTFFHKLD-UHFFFAOYSA-N 1 0 311.411 0.394 40 0 DCABRO CC(=O)N[C@]12CN(C(=O)Cc3ccccc3C)C[C@H]1C[NH2+]CC2 ZINC000257215828 202951930 /nfs/dbraw/zinc/95/19/30/202951930.db2.gz CRVBXUQRIYJSMR-SJLPKXTDSA-N 1 0 315.417 0.864 40 0 DCABRO C[NH+](C)CC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(N)=O)C1 ZINC000257302140 203028447 /nfs/dbraw/zinc/02/84/47/203028447.db2.gz SBRKNQARBZORPN-ZFWWWQNUSA-N 1 0 319.405 0.720 40 0 DCABRO C[C@]1(COc2cccnc2)C[C@@H]2CN(C(=O)C[NH3+])CC[C@@H]2O1 ZINC000257331599 203055058 /nfs/dbraw/zinc/05/50/58/203055058.db2.gz XTOAVGZTKGQJLZ-IVMMDQJWSA-N 1 0 305.378 0.815 40 0 DCABRO CNC(=O)[C@@]1(CCCc2cnccn2)CCC[N@H+](CC(N)=O)C1 ZINC000257331237 203055372 /nfs/dbraw/zinc/05/53/72/203055372.db2.gz XRYABQPWPYABQZ-INIZCTEOSA-N 1 0 319.409 0.113 40 0 DCABRO COc1cccc(C=O)c1OCCCN1CC[NH+](CCO)CC1 ZINC000019798074 182150879 /nfs/dbraw/zinc/15/08/79/182150879.db2.gz VUWLMXGDABABDG-UHFFFAOYSA-N 1 0 322.405 0.887 40 0 DCABRO CS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@]1(N)C[NH3+] ZINC000218193057 257130819 /nfs/dbraw/zinc/13/08/19/257130819.db2.gz VXDGQQJHJDKERH-AXFHLTTASA-N 1 0 319.224 0.616 40 0 DCABRO COC(=O)[C@H](CCCC[NH3+])NS(=O)(=O)c1ccccc1 ZINC000001683753 395681117 /nfs/dbraw/zinc/68/11/17/395681117.db2.gz SUUIFOWVBIVHPB-LBPRGKRZSA-N 1 0 300.380 0.636 40 0 DCABRO CC1(C)[C@H](OC[C@H](O)C[NH+](CCO)CCO)[C@]2(C)CC[C@H]1C2 ZINC000002679797 395681852 /nfs/dbraw/zinc/68/18/52/395681852.db2.gz DDMGCGGKEMYWRP-QSJFSLAZSA-N 1 0 315.454 0.865 40 0 DCABRO OCCN1CC[NH+](C[C@@H](O)COC[C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000035052946 395718612 /nfs/dbraw/zinc/71/86/12/395718612.db2.gz SHXPZYFBFXCBKJ-YYIAUSFCSA-N 1 0 312.454 0.410 40 0 DCABRO Cn1cc(C[N@@H+]2CC[C@H]3O[C@@H](C(=O)NC4CC4)CC[C@H]32)cn1 ZINC000096187265 395747918 /nfs/dbraw/zinc/74/79/18/395747918.db2.gz XKSBUZMFSBUBAV-RBSFLKMASA-N 1 0 304.394 0.821 40 0 DCABRO CN(C)S(=O)(=O)N1CC[C@@H]2C[N@H+](Cc3ccoc3)C[C@@H]2C1 ZINC000096054135 395741361 /nfs/dbraw/zinc/74/13/61/395741361.db2.gz AFWCPOXOEHNOEQ-ZIAGYGMSSA-N 1 0 313.423 0.840 40 0 DCABRO Cn1cc(C[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCCO3)C2)cn1 ZINC000096065601 395742765 /nfs/dbraw/zinc/74/27/65/395742765.db2.gz APHRITYXRGCUCA-SOUVJXGZSA-N 1 0 320.393 0.421 40 0 DCABRO Cn1cc(C[N@@H+]2C[C@@H]3COC[C@]3(C(=O)N3CCCO3)C2)cn1 ZINC000096110136 395744931 /nfs/dbraw/zinc/74/49/31/395744931.db2.gz LUFJRZDDIFMESH-UKRRQHHQSA-N 1 0 306.366 0.032 40 0 DCABRO CN(C)C(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1ccncc1)C2 ZINC000096108298 395745312 /nfs/dbraw/zinc/74/53/12/395745312.db2.gz ZHWZCQJURIRNLN-ZBFHGGJFSA-N 1 0 304.394 0.801 40 0 DCABRO COCC[N@@H+]1CC[C@]2(C1)COCCN(C(=O)c1ccccn1)C2 ZINC000096202003 395749592 /nfs/dbraw/zinc/74/95/92/395749592.db2.gz ASRLQSWDKDPGLH-QGZVFWFLSA-N 1 0 319.405 0.893 40 0 DCABRO CC(=O)N1CC(=O)N(c2ccsc2)C[C@]12CC[N@H+](CCO)C2 ZINC000096238233 395751007 /nfs/dbraw/zinc/75/10/07/395751007.db2.gz GCGJYZJSANOBEH-OAHLLOKOSA-N 1 0 323.418 0.380 40 0 DCABRO Cc1nc(CN2CCO[C@@H]3C[N@H+](CCO)CC[C@@H]3C2)cs1 ZINC000096249697 395751957 /nfs/dbraw/zinc/75/19/57/395751957.db2.gz UPVCKCWWZNLVIK-UKRRQHHQSA-N 1 0 311.451 0.967 40 0 DCABRO CS(=O)(=O)NC[C@@H]1CO[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]12 ZINC000247518108 395975299 /nfs/dbraw/zinc/97/52/99/395975299.db2.gz KKJDJHTXNJPBAZ-JHJVBQTASA-N 1 0 316.448 0.744 40 0 DCABRO CN1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(c4ccccc4NC3=O)[C@H]2C1=O ZINC000248008968 395981664 /nfs/dbraw/zinc/98/16/64/395981664.db2.gz DCRBRVDUGWUHLR-SFDCBXKLSA-N 1 0 311.341 0.543 40 0 DCABRO CN(C(=O)c1ccnnc1)[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257201438 396036125 /nfs/dbraw/zinc/03/61/25/396036125.db2.gz AHSFENANSZMVQR-RBSFLKMASA-N 1 0 304.394 0.926 40 0 DCABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CC[C@@H](CN(C(=O)c1cnccn1)C2)[C@H]3O ZINC000257208081 396037232 /nfs/dbraw/zinc/03/72/32/396037232.db2.gz BKQHSVWOBHVOMR-RPVAFNKOSA-N 1 0 316.405 0.782 40 0 DCABRO COc1ccc(CC(=O)N2C[C@@H](O)[C@H]([NH+]3CCCC3)C2)cc1 ZINC000257240092 396041858 /nfs/dbraw/zinc/04/18/58/396041858.db2.gz HSABMKBGSNPFCP-HZPDHXFCSA-N 1 0 304.390 0.905 40 0 DCABRO C[NH2+][C@H]1CC2(CCN(C(=O)c3ocnc3C)CC2)OC[C@]1(C)O ZINC000257251006 396043806 /nfs/dbraw/zinc/04/38/06/396043806.db2.gz JOZOTOMUCXTNRA-WFASDCNBSA-N 1 0 323.393 0.717 40 0 DCABRO Cc1noc(C)c1CCC(=O)N1CC[N@@H+](C)C[C@H](C(N)=O)C1 ZINC000257255642 396044378 /nfs/dbraw/zinc/04/43/78/396044378.db2.gz KIHWWXSRTFTGBX-LBPRGKRZSA-N 1 0 308.382 0.100 40 0 DCABRO CC(=O)N1CCC(O)(C[N@@H+]2CC[C@@H](c3nccc(C)n3)C2)CC1 ZINC000257265762 396045107 /nfs/dbraw/zinc/04/51/07/396045107.db2.gz MADVDALDAMQXJB-OAHLLOKOSA-N 1 0 318.421 0.948 40 0 DCABRO CC(C)C[NH2+]C[C@@]1(O)CCN(C(=O)Cc2ccccc2)C[C@@H]1O ZINC000585285723 396646283 /nfs/dbraw/zinc/64/62/83/396646283.db2.gz SHZFNPCMQYFYBH-WMZOPIPTSA-N 1 0 320.433 0.799 40 0 DCABRO O=C1N(CC2CCCCC2)C[C@@]12CCC[N@@H+](C[C@H](O)CO)C2 ZINC000585099498 396639190 /nfs/dbraw/zinc/63/91/90/396639190.db2.gz OQSRXMOFBBNPDD-RDJZCZTQSA-N 1 0 310.438 0.844 40 0 DCABRO CC(C)C[N@@H+]1CCC[C@]2(CN(CCS(C)(=O)=O)C2=O)C1 ZINC000585099659 396639361 /nfs/dbraw/zinc/63/93/61/396639361.db2.gz VBDNHOATOFKLEW-CQSZACIVSA-N 1 0 302.440 0.611 40 0 DCABRO C[NH+](C)C[C@@H]1CCn2nccc2CN1C(=O)c1cnccn1 ZINC000585097897 396639419 /nfs/dbraw/zinc/63/94/19/396639419.db2.gz SPJAXXWLEYZTGB-LBPRGKRZSA-N 1 0 300.366 0.649 40 0 DCABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc(N2CCOCC2)nc1 ZINC000019575200 415154581 /nfs/dbraw/zinc/15/45/81/415154581.db2.gz MRCWZGHVMOHAFZ-GDBMZVCRSA-N 1 0 317.437 0.982 40 0 DCABRO Cn1cc(C[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCCC3)C2)cn1 ZINC000096041142 415570822 /nfs/dbraw/zinc/57/08/22/415570822.db2.gz ZUHJMEDGILAKIA-HRCADAONSA-N 1 0 318.421 0.879 40 0 DCABRO COCC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]2CCCO[C@H]12 ZINC000096040642 415572910 /nfs/dbraw/zinc/57/29/10/415572910.db2.gz LXIVTLUTRDMPCJ-LXZKKBNFSA-N 1 0 319.405 0.824 40 0 DCABRO CCOCC(=O)N1Cc2nccn2C[C@@H](C[NH+]2CCCC2)C1 ZINC000096188395 415574186 /nfs/dbraw/zinc/57/41/86/415574186.db2.gz RYTOFRIDLPQZJN-CQSZACIVSA-N 1 0 306.410 0.974 40 0 DCABRO O=S1(=O)C[C@H](NCC[NH2+]Cc2ccccc2Cl)[C@H](O)C1 ZINC000575421783 417534281 /nfs/dbraw/zinc/53/42/81/417534281.db2.gz RMBVIRZBMXFHFS-QWHCGFSZSA-N 1 0 318.826 0.177 40 0 DCABRO COCC[N@@H+]1CC[C@@]2(C1)COCc1c(C)nc(N(C)C)nc12 ZINC000096244450 274032932 /nfs/dbraw/zinc/03/29/32/274032932.db2.gz BVPNJJZQRMTIBI-MRXNPFEDSA-N 1 0 306.410 0.971 40 0 DCABRO CN1C[C@@]2(CO[C@H](C(=O)NCC[NH+](C)C)C2)c2ccccc21 ZINC000107275429 276790759 /nfs/dbraw/zinc/79/07/59/276790759.db2.gz GKQWKTVFGSJBKW-RDJZCZTQSA-N 1 0 303.406 0.841 40 0 DCABRO CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1NC(=O)c1cc2c(s1)CCC2 ZINC000257224780 277245526 /nfs/dbraw/zinc/24/55/26/277245526.db2.gz FDIBHXGLSDBRFQ-MNOVXSKESA-N 1 0 307.419 0.643 40 0 DCABRO CC(=O)NCC(=O)N1Cc2nccn2C[C@H](C[N@@H+](C)C(C)C)C1 ZINC000096188335 278094165 /nfs/dbraw/zinc/09/41/65/278094165.db2.gz OTIILFBCXGZWIA-AWEZNQCLSA-N 1 0 321.425 0.318 40 0 DCABRO Cn1cc([C@@H]2CC(=O)NC23CC[NH+](C[C@@H]2CCOC2)CC3)cn1 ZINC000096199823 279346690 /nfs/dbraw/zinc/34/66/90/279346690.db2.gz GAXZSCVLVICQGS-ZFWWWQNUSA-N 1 0 318.421 0.895 40 0 DCABRO CC[NH+]1CCN(CC(=O)N2[C@@H]3CC[C@H]2Cc2nnsc23)CC1 ZINC000019528146 279353006 /nfs/dbraw/zinc/35/30/06/279353006.db2.gz MXOJKGNCGCXTHV-WCQYABFASA-N 1 0 321.450 0.764 40 0 DCABRO C[C@H]1CCCN(c2ncc3c(n2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC000096251989 290455172 /nfs/dbraw/zinc/45/51/72/290455172.db2.gz AJUHZRLXWSEELD-WCFLWFBJSA-N 1 0 322.434 0.697 40 0 DCABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1cccc(OC)c1 ZINC000298124723 529076936 /nfs/dbraw/zinc/07/69/36/529076936.db2.gz VYMMXWCPCTWWFG-CQSZACIVSA-N 1 0 319.405 0.912 40 0 DCABRO CC[C@@H]1CN(C(=O)C2CC2)[C@H](CO)[C@@H]1C[NH+]1CCN(C)CC1 ZINC001772594846 1157774630 /nfs/dbraw/zinc/77/46/30/1157774630.db2.gz ANHQYWOTSSUDBU-FVQBIDKESA-N 1 0 309.454 0.489 40 0 DCABRO C[NH+](C)CCO[C@H]1CN(c2ncc(F)cn2)[C@@H]2CCCO[C@@H]21 ZINC000096040928 282109644 /nfs/dbraw/zinc/10/96/44/282109644.db2.gz XAKZHBWMTRSBSF-RDBSUJKOSA-N 1 0 310.373 0.930 40 0 DCABRO NC(=O)C1CCN(c2cnc(C[C@H]3CCC[NH2+]C3)cn2)CC1 ZINC000072364948 191134708 /nfs/dbraw/zinc/13/47/08/191134708.db2.gz UPPLKHZKRGUWKX-GFCCVEGCSA-N 1 0 303.410 0.720 40 0 DCABRO Cc1cc(C)n(CC(=O)N2CC[C@](O)(C[NH+]3CCCC3)C2)n1 ZINC000257277152 203007085 /nfs/dbraw/zinc/00/70/85/203007085.db2.gz NWQLBVFOGGZNKV-INIZCTEOSA-N 1 0 306.410 0.559 40 0 DCABRO O=C1CO[C@H]2CC[N@H+](Cc3ccc4c(c3)OCCO4)CC[C@@H]2N1 ZINC000257293971 203019956 /nfs/dbraw/zinc/01/99/56/203019956.db2.gz QRXBPIBWURBIDT-KBPBESRZSA-N 1 0 318.373 0.937 40 0 DCABRO CC(C)[N@@H+]1CCN(C(=O)Cc2ccc(F)cc2)[C@@H](C(N)=O)C1 ZINC000257313548 203038764 /nfs/dbraw/zinc/03/87/64/203038764.db2.gz UTCDFHAXNHRNME-CQSZACIVSA-N 1 0 307.369 0.775 40 0 DCABRO Cc1nc[nH]c1C[N@@H+]1CCOC[C@H](Cc2cc(=O)[nH]cn2)C1 ZINC000257320610 203045689 /nfs/dbraw/zinc/04/56/89/203045689.db2.gz VXOKNYGNAWGSGT-GFCCVEGCSA-N 1 0 303.366 0.905 40 0 DCABRO CC(C)[NH2+]C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N(C)CCc1ccccc1 ZINC000020465836 182220802 /nfs/dbraw/zinc/22/08/02/182220802.db2.gz HHDLRGBVXOLRQM-VSZNYVQBSA-N 1 0 322.449 0.648 40 0 biogenic,in-vitro DCABRO COCC[N@@H+]1C[C@H](COC)C2(C1)CCN(S(C)(=O)=O)CC2 ZINC000247825503 285062958 /nfs/dbraw/zinc/06/29/58/285062958.db2.gz FRUYBBNFNJZQJV-CYBMUJFWSA-N 1 0 320.455 0.253 40 0 DCABRO O[C@H]1[C@H](CN2CCC(F)(F)C2)OC[C@@H]1[NH2+]Cc1ccccn1 ZINC000514289168 257216520 /nfs/dbraw/zinc/21/65/20/257216520.db2.gz XVUFVEJVMOQIRH-MELADBBJSA-N 1 0 313.348 0.641 40 0 biogenic,in-vitro DCABRO O=C(C1CC1)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224321321 257233013 /nfs/dbraw/zinc/23/30/13/257233013.db2.gz VSEAPNCHKCERTB-UHFFFAOYSA-N 1 0 317.393 0.372 40 0 DCABRO COCCOC[C@]1(C[NH2+]Cc2nccs2)C[C@@H](O)[C@@H](O)C1 ZINC000107430835 257215616 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DCABRO C[NH+](C)CCN1CCOC[C@@]2(CN(Cc3ccoc3)CCO2)C1 ZINC000096049774 395741675 /nfs/dbraw/zinc/74/16/75/395741675.db2.gz JIUNUQRVJMOAQR-KRWDZBQOSA-N 1 0 323.437 0.744 40 0 DCABRO O=C(N1CCCC1)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+]1CCCC1 ZINC000096054397 395741704 /nfs/dbraw/zinc/74/17/04/395741704.db2.gz IQLAMPSFEJJXOY-CVEARBPZSA-N 1 0 322.453 0.683 40 0 DCABRO CN(C)C(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC000096056540 395742031 /nfs/dbraw/zinc/74/20/31/395742031.db2.gz BKEODKVEKQRNPZ-HUUCEWRRSA-N 1 0 316.405 0.735 40 0 DCABRO CN(C)C(=O)COC[C@]12COC[C@H]1C[N@H+](Cc1ccoc1)C2 ZINC000096108690 395744779 /nfs/dbraw/zinc/74/47/79/395744779.db2.gz GRQMQEROYKZPPG-ZBFHGGJFSA-N 1 0 308.378 0.833 40 0 DCABRO CS(=O)(=O)NC[C@]12COC[C@H]1C[N@H+](CC1CCCC1)C2 ZINC000096108346 395745151 /nfs/dbraw/zinc/74/51/51/395745151.db2.gz IJWDSSPDOWEVBZ-KGLIPLIRSA-N 1 0 302.440 0.674 40 0 DCABRO C[NH+](C)CCN1CCO[C@H]2CCN(C(=O)c3ccno3)CC[C@@H]21 ZINC000096249265 395752011 /nfs/dbraw/zinc/75/20/11/395752011.db2.gz IVOXIOCCSWNOSU-KBPBESRZSA-N 1 0 322.409 0.542 40 0 DCABRO Cn1cc(C[N@@H+]2CCC3(CC(NS(=O)(=O)C4CC4)C3)C2)cn1 ZINC000108534800 395790782 /nfs/dbraw/zinc/79/07/82/395790782.db2.gz GOUUTTKHOFCXCM-UHFFFAOYSA-N 1 0 324.450 0.856 40 0 DCABRO C[NH2+]CCOc1cccc(C(=O)N(C)[C@@H]2CC[C@@H](O)[C@@H]2O)c1 ZINC000257203917 396036773 /nfs/dbraw/zinc/03/67/73/396036773.db2.gz ASEPVWWRMLILQH-RBSFLKMASA-N 1 0 308.378 0.241 40 0 DCABRO CN(C)S(=O)(=O)N1CCC[C@H]1c1nccc(C[NH+](C)C)n1 ZINC000257202952 396037086 /nfs/dbraw/zinc/03/70/86/396037086.db2.gz ANZASHJFABGFMF-LBPRGKRZSA-N 1 0 313.427 0.482 40 0 DCABRO CC(C)[N@@H+]1CCN(C(=O)CCOc2ccccc2)[C@H](C(N)=O)C1 ZINC000257209411 396038282 /nfs/dbraw/zinc/03/82/82/396038282.db2.gz BQGJYQNBALNYNE-HNNXBMFYSA-N 1 0 319.405 0.862 40 0 DCABRO O=C(Cc1ccc2c(c1)OCO2)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257215027 396039346 /nfs/dbraw/zinc/03/93/46/396039346.db2.gz COJCWUKQWFWAIG-ZIAGYGMSSA-N 1 0 318.373 0.625 40 0 DCABRO CC(=O)N1CC[C@H]2[C@@H](C[C@](C)(CO)[N@@H+]2Cc2cnn(C)c2C)C1 ZINC000257262803 396044982 /nfs/dbraw/zinc/04/49/82/396044982.db2.gz LMZRCQMDUQIJRK-BHYGNILZSA-N 1 0 320.437 0.922 40 0 DCABRO CC(C)NC(=O)NC[C@H]1OC[C@@H]([NH2+]Cc2cccs2)[C@@H]1O ZINC000077264941 396216239 /nfs/dbraw/zinc/21/62/39/396216239.db2.gz HXEUIDPLOPBEGC-UPJWGTAASA-N 1 0 313.423 0.674 40 0 biogenic,in-vitro DCABRO Cc1noc(CC(=O)N2Cc3ccnn3CC[C@H]2C[NH+](C)C)n1 ZINC000585098122 396639140 /nfs/dbraw/zinc/63/91/40/396639140.db2.gz UIPWAJYCPDMEQF-LBPRGKRZSA-N 1 0 318.381 0.480 40 0 DCABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(OC)cc1 ZINC000298084730 415992678 /nfs/dbraw/zinc/99/26/78/415992678.db2.gz DZWHIYSEOLBJIR-AWEZNQCLSA-N 1 0 319.405 0.912 40 0 DCABRO Cn1cccc1C(=O)N1CC[C@H](O)[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000257271585 416335100 /nfs/dbraw/zinc/33/51/00/416335100.db2.gz MYYAQZZHKUSLIE-HOCLYGCPSA-N 1 0 320.437 0.238 40 0 DCABRO COCCC(=O)N1CC[N@H+](CCc2ccccc2)C[C@H]1C(N)=O ZINC000257337923 416335306 /nfs/dbraw/zinc/33/53/06/416335306.db2.gz YVAXODFTTABQSK-HNNXBMFYSA-N 1 0 319.405 0.264 40 0 DCABRO COCC[N@@H+]1CC[C@]2(C1)COCc1c(C)nc(N(C)C)nc12 ZINC000096244451 274033531 /nfs/dbraw/zinc/03/35/31/274033531.db2.gz BVPNJJZQRMTIBI-INIZCTEOSA-N 1 0 306.410 0.971 40 0 DCABRO Cn1c2cc(NC=O)c(N3CC[NH+](C)CC3)cc2n(C)c1=O ZINC000408527801 274888373 /nfs/dbraw/zinc/88/83/73/274888373.db2.gz GKOOWSOKYIHOKZ-UHFFFAOYSA-N 1 0 303.366 0.197 40 0 DCABRO CCOCC[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC000096043400 276324188 /nfs/dbraw/zinc/32/41/88/276324188.db2.gz KGAOWZOLJGHHQP-QLFBSQMISA-N 1 0 312.410 0.914 40 0 DCABRO CC(=O)N[C@H]1CCCN(C(=O)CN2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000170740348 278177567 /nfs/dbraw/zinc/17/75/67/278177567.db2.gz VSXCBFZUXDQQGI-HOTGVXAUSA-N 1 0 322.453 0.284 40 0 DCABRO CC(=O)N1CCOC[C@]2(CC[C@@H](C[NH2+]Cc3ccncc3)O2)C1 ZINC000306131278 526639094 /nfs/dbraw/zinc/63/90/94/526639094.db2.gz JZXDOBCPBIRXKS-IRXDYDNUSA-N 1 0 319.405 0.968 40 0 DCABRO CN(C)C(=O)[C@@H]1C[C@@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1 ZINC001772498531 1190702175 /nfs/dbraw/zinc/70/21/75/1190702175.db2.gz HJBWDTJHVOCOFE-WMLDXEAASA-N 1 0 301.390 0.855 40 0 DCABRO Cc1cnn([C@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH2+]Cc3ccccn3)[C@@H]2O)c1 ZINC000952844720 768908947 /nfs/dbraw/zinc/90/89/47/768908947.db2.gz GZBKNWRNMKTQLE-DGXTUMSLSA-N 1 0 316.361 0.402 40 0 biogenic,in-vitro DCABRO CO[C@@H](C)[C@](O)(C(=O)OCC1=CC[N@@H+]2CC[C@@H](O)[C@H]12)C(C)C ZINC000003876050 181051760 /nfs/dbraw/zinc/05/17/60/181051760.db2.gz LMFKRLGHEKVMNT-AEIGPULVSA-N 1 0 313.394 0.327 40 0 DCABRO C[NH+](C)[C@@H]1CN(C(=O)c2cc(-c3cccnc3)n[nH]2)C[C@H]1O ZINC000257309180 203034177 /nfs/dbraw/zinc/03/41/77/203034177.db2.gz TZWDPNQQVKVMOX-ZIAGYGMSSA-N 1 0 301.350 0.219 40 0 DCABRO COc1cccc(O[C@@H]2C[C@@H](NC(N)=O)[C@H]([NH+](C)C)[C@H]2O)c1 ZINC000257316784 203041751 /nfs/dbraw/zinc/04/17/51/203041751.db2.gz VGZHINQGCHXNKO-MQYQWHSLSA-N 1 0 309.366 0.174 40 0 DCABRO CN(C)C(=O)N1CCOC[C@]2(C[C@H](C[NH+]3CCCC3)CO2)C1 ZINC000096052045 193504632 /nfs/dbraw/zinc/50/46/32/193504632.db2.gz XMZKDOBLTGFUOH-ZBFHGGJFSA-N 1 0 311.426 0.871 40 0 DCABRO COc1cc(C=O)ccc1OCCN1CC[NH+](CCO)CC1 ZINC000020131554 182190978 /nfs/dbraw/zinc/19/09/78/182190978.db2.gz JTIDLJRNCUFFLY-UHFFFAOYSA-N 1 0 308.378 0.496 40 0 DCABRO O=C1[C@H]2CN(c3ncccn3)C[C@H]2CN1CC[NH+]1CCCC1 ZINC000096245055 285008840 /nfs/dbraw/zinc/00/88/40/285008840.db2.gz TZVLSDIQTXHHLD-KGLIPLIRSA-N 1 0 301.394 0.467 40 0 DCABRO CC[NH+](CC)C[C@@H]1OC[C@H](NC(=O)NCc2ccccc2)[C@H]1O ZINC000514288622 257216116 /nfs/dbraw/zinc/21/61/16/257216116.db2.gz JGJWBJRAMPXESD-HRCADAONSA-N 1 0 321.421 0.956 40 0 biogenic,in-vitro DCABRO O=C(N[C@H]1CO[C@@H](C[NH+]2CCC(F)(F)CC2)[C@@H]1O)C1CC1 ZINC000514288788 257216324 /nfs/dbraw/zinc/21/63/24/257216324.db2.gz CYTVUEJLPAQZKN-SDDRHHMPSA-N 1 0 304.337 0.372 40 0 biogenic,in-vitro DCABRO CS(=O)(=O)NC[C@H]1CO[C@@H]2C[N@H+](CCc3ccccc3)C[C@H]12 ZINC000306129481 533408827 /nfs/dbraw/zinc/40/88/27/533408827.db2.gz IELQIPRHPRWBHG-ARFHVFGLSA-N 1 0 324.446 0.725 40 0 DCABRO COCCO[C@@H]1C[C@H]2CN(C(=O)c3cccnc3)CC[N@@H+]2C1 ZINC000096183194 395747290 /nfs/dbraw/zinc/74/72/90/395747290.db2.gz KKVYILNMQBWGHQ-LSDHHAIUSA-N 1 0 305.378 0.643 40 0 DCABRO CS(=O)(=O)NC[C@H]1OC[C@@H]2CC[N@H+](Cc3ccoc3)C[C@@H]21 ZINC000096185444 395747519 /nfs/dbraw/zinc/74/75/19/395747519.db2.gz FFBMBQQBZZHBDS-MELADBBJSA-N 1 0 314.407 0.666 40 0 DCABRO Cn1cc(C(=O)N[C@H]2C[N@H+]([C@H]3CCOC3)[C@@H]3CCCO[C@@H]32)cn1 ZINC000096186881 395747968 /nfs/dbraw/zinc/74/79/68/395747968.db2.gz ALZYCEAWSAZNGV-BYNSBNAKSA-N 1 0 320.393 0.171 40 0 DCABRO O=C(N1CCOCC1)N1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC000096197251 395748250 /nfs/dbraw/zinc/74/82/50/395748250.db2.gz HEADHWWKUZXYHQ-UHFFFAOYSA-N 1 0 319.409 0.747 40 0 DCABRO COc1ncccc1C[N@@H+]1C[C@@H]2COC[C@]2(C(=O)N(C)C)C1 ZINC000096206377 395749371 /nfs/dbraw/zinc/74/93/71/395749371.db2.gz BRBPCJYZMIUIMY-CZUORRHYSA-N 1 0 305.378 0.627 40 0 DCABRO CS(=O)(=O)N1CCOC[C@@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096202158 395749531 /nfs/dbraw/zinc/74/95/31/395749531.db2.gz XRXQEJBKEXDMOC-CQSZACIVSA-N 1 0 314.407 0.764 40 0 DCABRO Cc1nnc(C[C@H]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)C[C@H]3O2)o1 ZINC000096219160 395749901 /nfs/dbraw/zinc/74/99/01/395749901.db2.gz ZLSQTTUKSIDIMP-BFHYXJOUSA-N 1 0 303.366 0.944 40 0 DCABRO CC(C)NC(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC000096254355 395752134 /nfs/dbraw/zinc/75/21/34/395752134.db2.gz BDRABXHUBYYGPR-UHFFFAOYSA-N 1 0 323.397 0.442 40 0 DCABRO CN(C[C@]1(O)CCN(c2ccccn2)C1)C(=O)Cn1ccnc1 ZINC000257200544 396035933 /nfs/dbraw/zinc/03/59/33/396035933.db2.gz ADSWVTWUXHFMNC-MRXNPFEDSA-N 1 0 315.377 0.378 40 0 DCABRO [NH3+]CCC(=O)NC[C@]1(O)CCN(c2ccnc3cccnc32)C1 ZINC000257200928 396036249 /nfs/dbraw/zinc/03/62/49/396036249.db2.gz AFJHZJPCGSGFQX-MRXNPFEDSA-N 1 0 315.377 0.036 40 0 DCABRO CC(=O)N1CC2(C[C@]1(C)CO)CC[NH+](CC(=O)N(C)C)CC2 ZINC000257203592 396036891 /nfs/dbraw/zinc/03/68/91/396036891.db2.gz AQUFIASYLZDJAW-OAHLLOKOSA-N 1 0 311.426 0.160 40 0 DCABRO Cn1nccc1CCC(=O)N[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257209464 396037940 /nfs/dbraw/zinc/03/79/40/396037940.db2.gz BQMSHQTVOKUPNP-IIAWOOMASA-N 1 0 306.410 0.457 40 0 DCABRO Cn1ccnc1CN1C(=O)CO[C@H]2C[N@H+](C3CCOCC3)C[C@H]21 ZINC000067897341 396038281 /nfs/dbraw/zinc/03/82/81/396038281.db2.gz JYNKHXJUDKFQRE-KGLIPLIRSA-N 1 0 320.393 0.011 40 0 biogenic,in-vitro DCABRO CC(C)c1nnc(CCC(=O)N2CC[N@H+](C)C[C@@H](C(N)=O)C2)o1 ZINC000257227889 396041330 /nfs/dbraw/zinc/04/13/30/396041330.db2.gz FRKDTXMANPXYGP-LLVKDONJSA-N 1 0 323.397 0.001 40 0 DCABRO Cc1nc2cc(C(=O)N3CC[N@@H+](C)C[C@@H](C(N)=O)C3)ccc2[nH]1 ZINC000257241210 396042596 /nfs/dbraw/zinc/04/25/96/396042596.db2.gz HXDOZIDDWCIPAL-GFCCVEGCSA-N 1 0 315.377 0.360 40 0 DCABRO CCC[N@@H+]1C[C@@H]2C(=O)NC3(CCN(c4cnccn4)CC3)[C@@H]2C1 ZINC000585106095 396638912 /nfs/dbraw/zinc/63/89/12/396638912.db2.gz LGFSELSSZSTJOL-UONOGXRCSA-N 1 0 315.421 0.903 40 0 DCABRO CC1(C)CC(NC(=O)C(=O)NC[C@@H]2CCCO2)CC(C)(C)[NH2+]1 ZINC000170341673 158374415 /nfs/dbraw/zinc/37/44/15/158374415.db2.gz YJEKNXKNQUIJOB-LBPRGKRZSA-N 1 0 311.426 0.707 40 0 DCABRO O=C(N1CCOCC1)[C@@]12CCO[C@@H]1CC[N@@H+](C1CCOCC1)C2 ZINC000096038724 415572429 /nfs/dbraw/zinc/57/24/29/415572429.db2.gz DNWKFTPIXSLFKN-NVXWUHKLSA-N 1 0 324.421 0.505 40 0 DCABRO Cn1cccc1C(=O)N[C@@H]1C[N@H+]([C@@H]2CCOC2)[C@@H]2COC[C@H]12 ZINC000096038586 415573256 /nfs/dbraw/zinc/57/32/56/415573256.db2.gz FYTJHYVPTQSQSG-RGCMKSIDSA-N 1 0 305.378 0.243 40 0 DCABRO CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1cccnc1OC)C2 ZINC000096038762 415573551 /nfs/dbraw/zinc/57/35/51/415573551.db2.gz UQRVEAXXWUDSBK-CZUORRHYSA-N 1 0 305.378 0.817 40 0 DCABRO CCc1cnc(N2CCO[C@@H]3C[N@H+](CCO)CC[C@@H]3C2)nc1 ZINC000096249771 415574423 /nfs/dbraw/zinc/57/44/23/415574423.db2.gz CWWHOFJTPLPAEV-HUUCEWRRSA-N 1 0 306.410 0.558 40 0 DCABRO c1c(NCCN2CCOCC2)nc(NC2CC2)[nH+]c1C1CC1 ZINC000328974899 416143318 /nfs/dbraw/zinc/14/33/18/416143318.db2.gz FHLLIEKGATWPQZ-UHFFFAOYSA-N 1 0 303.410 0.516 40 0 DCABRO O=CNc1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000363301615 262110526 /nfs/dbraw/zinc/11/05/26/262110526.db2.gz APBUWCWQCSZYJV-CVEARBPZSA-N 1 0 317.389 0.926 40 0 DCABRO CC[NH+](CC)C[C@H]1CO[C@@H]2CN(c3ccc4nncn4n3)C[C@H]12 ZINC000306125805 276109800 /nfs/dbraw/zinc/10/98/00/276109800.db2.gz DCVSLPRQJLHQAX-BFHYXJOUSA-N 1 0 316.409 0.917 40 0 DCABRO CC(=O)N1CC[N@H+](CCC(F)(F)F)C[C@H](C(=O)N(C)C)C1 ZINC000257304696 278040527 /nfs/dbraw/zinc/04/05/27/278040527.db2.gz SMTHNTQZWVYMOL-NSHDSACASA-N 1 0 309.332 0.807 40 0 DCABRO C=C1NC(NN)=[NH+][C@H](c2ccc3c(c2)OCO3)C1C(=O)OCC ZINC000408731292 528616906 /nfs/dbraw/zinc/61/69/06/528616906.db2.gz LOGYUJCZRIGKJC-CYBMUJFWSA-N 1 0 318.333 0.716 40 0 DCABRO NC(=O)C1CCN(c2cnc(C[C@@H]3CCC[NH2+]C3)cn2)CC1 ZINC000072364947 191134420 /nfs/dbraw/zinc/13/44/20/191134420.db2.gz UPPLKHZKRGUWKX-LBPRGKRZSA-N 1 0 303.410 0.720 40 0 DCABRO O=C(N[C@@H]1CCCC[C@@H]([NH+]2CCCC2)[C@@H]1O)c1cnccn1 ZINC000257244147 202976491 /nfs/dbraw/zinc/97/64/91/202976491.db2.gz IKCORJOVHOBFOK-BPLDGKMQSA-N 1 0 304.394 0.974 40 0 DCABRO CN1CC[NH+](C[C@@]2(O)CCN(C(=O)c3ccc(F)cc3)C2)CC1 ZINC000257305159 203028952 /nfs/dbraw/zinc/02/89/52/203028952.db2.gz SORSAFACJBRQSY-KRWDZBQOSA-N 1 0 321.396 0.650 40 0 DCABRO CN(C(=O)OC(C)(C)C)[C@@H]1C[C@@H](O)[C@](O)(C[NH+](C)C)[C@@H](O)C1 ZINC000257288056 203013971 /nfs/dbraw/zinc/01/39/71/203013971.db2.gz PSPURZUGBKZUEC-DEJZVVOUSA-N 1 0 318.414 0.030 40 0 DCABRO CNC(=O)[C@@H]1CN(C(=O)CCc2ccc(F)cc2)CC[N@H+](C)C1 ZINC000257294262 203019184 /nfs/dbraw/zinc/01/91/84/203019184.db2.gz QTHLHCGDHPFGQF-AWEZNQCLSA-N 1 0 321.396 0.895 40 0 DCABRO CN(C)C(=O)[C@@]1(CCCc2cccnc2)CCCN1C(=O)C[NH3+] ZINC000257318937 203043552 /nfs/dbraw/zinc/04/35/52/203043552.db2.gz VPZZYANKDDUCQZ-QGZVFWFLSA-N 1 0 318.421 0.812 40 0 DCABRO OCCN1CC[NH+](C2CCN(Cc3ccncc3)CC2)CC1 ZINC000020534605 182227832 /nfs/dbraw/zinc/22/78/32/182227832.db2.gz QQXUUXNSRGIZDM-UHFFFAOYSA-N 1 0 304.438 0.656 40 0 DCABRO O=C([C@@H]1COc2ccccc2O1)N1CCC2(CC1)C[NH2+]CCO2 ZINC000096091760 284514092 /nfs/dbraw/zinc/51/40/92/284514092.db2.gz KWAXDSHEECWUGU-HNNXBMFYSA-N 1 0 318.373 0.807 40 0 DCABRO COCC[N@@H+]1CC2(C[C@@H]1COC)CCN(C(=O)COC)CC2 ZINC000096207475 285008961 /nfs/dbraw/zinc/00/89/61/285008961.db2.gz WCWMJOFNFVXKGS-CQSZACIVSA-N 1 0 314.426 0.609 40 0 DCABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](S(C)(=O)=O)[C@H]1c1cccc(F)c1 ZINC000242648941 257120198 /nfs/dbraw/zinc/12/01/98/257120198.db2.gz RLJKFTSIVROBMQ-YRGRVCCFSA-N 1 0 315.366 0.844 40 0 DCABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2cccc(F)c2)[C@H]1S(C)(=O)=O ZINC000242648940 257120267 /nfs/dbraw/zinc/12/02/67/257120267.db2.gz RLJKFTSIVROBMQ-OUCADQQQSA-N 1 0 315.366 0.844 40 0 DCABRO CCN(C)S(=O)(=O)c1cncc(Cl)c1N1CC[NH2+]CC1 ZINC000072210725 257127908 /nfs/dbraw/zinc/12/79/08/257127908.db2.gz CAZUUMFYFUHYJU-UHFFFAOYSA-N 1 0 318.830 0.785 40 0 DCABRO CC[N@@H+]1C[C@H]2C[C@@H](O)CN2C2(CN(C(=O)c3cccnc3)C2)C1 ZINC000514289763 257215427 /nfs/dbraw/zinc/21/54/27/257215427.db2.gz OKNTVMBNAYFQMX-HUUCEWRRSA-N 1 0 316.405 0.047 40 0 biogenic,in-vitro DCABRO O=C(N[C@H]1C[N@H+]([C@@H]2CCOC2)[C@@H]2CCCO[C@@H]21)c1cnccn1 ZINC000096186918 395747607 /nfs/dbraw/zinc/74/76/07/395747607.db2.gz YAOSXJKLYJVNTR-FAAHXZRKSA-N 1 0 318.377 0.227 40 0 DCABRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H](NS(C)(=O)=O)[C@@H]3C2)o1 ZINC000096186832 395747955 /nfs/dbraw/zinc/74/79/55/395747955.db2.gz QMVFPGVEOVVQDD-MRVWCRGKSA-N 1 0 314.407 0.584 40 0 DCABRO COCCn1c(=O)ccc2c1CC[C@H]([NH2+]C[C@H]1CCOC1)C2 ZINC000096189682 395748471 /nfs/dbraw/zinc/74/84/71/395748471.db2.gz OQALBXYGWDSOBY-HIFRSBDPSA-N 1 0 306.406 0.978 40 0 DCABRO Cn1ccnc1CN1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC000096073940 395743206 /nfs/dbraw/zinc/74/32/06/395743206.db2.gz HJLJIRWRBYJUKH-KRWDZBQOSA-N 1 0 319.453 0.796 40 0 DCABRO CCOCC(=O)N1C[C@@H]2C[N@H+](Cc3ccco3)CCO[C@@H]2C1 ZINC000096108163 395744808 /nfs/dbraw/zinc/74/48/08/395744808.db2.gz FRRVQTNZHNGACD-DZGCQCFKSA-N 1 0 308.378 0.975 40 0 DCABRO COCCNC(=O)C[C@H]1C[C@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]2O1 ZINC000096219162 395749786 /nfs/dbraw/zinc/74/97/86/395749786.db2.gz CKTCBJPJTDVGQX-RRFJBIMHSA-N 1 0 322.409 0.162 40 0 DCABRO CNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(C)nc3)C[C@H]2C1 ZINC000096246115 395751512 /nfs/dbraw/zinc/75/15/12/395751512.db2.gz MNAWGVLTSCYJBG-LSDHHAIUSA-N 1 0 316.405 0.530 40 0 DCABRO O=C([C@H]1C[N@H+](Cc2ccncc2)[C@@H]2CCO[C@@H]21)N1CCOCC1 ZINC000108534379 395790906 /nfs/dbraw/zinc/79/09/06/395790906.db2.gz XPMSHJNSGSLVSK-ARFHVFGLSA-N 1 0 317.389 0.530 40 0 DCABRO Cn1cccc1C(=O)N1CCOC[C@]2(CC[C@H](C[NH+](C)C)O2)C1 ZINC000248129751 395983972 /nfs/dbraw/zinc/98/39/72/395983972.db2.gz PXYUDLQUTHLORH-PBHICJAKSA-N 1 0 321.421 0.977 40 0 DCABRO O=C(NC[C@H]1OC[C@@H]([NH2+]C2CCOCC2)[C@@H]1O)c1ccccc1 ZINC000077264280 396216454 /nfs/dbraw/zinc/21/64/54/396216454.db2.gz SQIJMTJHSAJAKI-OAGGEKHMSA-N 1 0 320.389 0.313 40 0 biogenic,in-vitro DCABRO NC(=O)C[C@]1(O)COCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000585281066 396645636 /nfs/dbraw/zinc/64/56/36/396645636.db2.gz SFBXNSZBQBXEHU-QGZVFWFLSA-N 1 0 315.373 0.674 40 0 DCABRO C[NH+]1CCC(c2cnc(N3CCS(=O)(=O)CC3)cn2)CC1 ZINC000072365510 415413031 /nfs/dbraw/zinc/41/30/31/415413031.db2.gz ZTQJEDRSPCBQNR-UHFFFAOYSA-N 1 0 310.423 0.521 40 0 DCABRO Cc1noc([C@@H]2CNC(=O)[C@@H]3CC[N@@H+]([C@H]4CCOC4)CC[C@@H]32)n1 ZINC000096066432 415575390 /nfs/dbraw/zinc/57/53/90/415575390.db2.gz INKRETREVADVKA-IGQOVBAYSA-N 1 0 320.393 0.709 40 0 DCABRO Cn1[nH]cnc1=NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333097328 415557403 /nfs/dbraw/zinc/55/74/03/415557403.db2.gz DHLCRRPNGGZXEB-UHFFFAOYSA-N 1 0 304.398 0.512 40 0 DCABRO CNC(=O)CC[C@]1(OC)CCC[N@H+](Cc2cnc(NC)nc2)C1 ZINC000585276702 416519858 /nfs/dbraw/zinc/51/98/58/416519858.db2.gz HKVDEEXGMSSUMQ-MRXNPFEDSA-N 1 0 321.425 1.026 40 0 DCABRO O=c1[nH]c(N2CCOCC2)nc2c1C[N@@H+](C1CCCC1)CC2 ZINC000012113727 275042268 /nfs/dbraw/zinc/04/22/68/275042268.db2.gz UTAGRMYGZRJRKP-UHFFFAOYSA-N 1 0 304.394 0.907 40 0 DCABRO Cc1cn([C@H]2COC3(CC[NH2+]CC3)C[C@]2(C)O)c(=O)[nH]c1=O ZINC000257344618 281526470 /nfs/dbraw/zinc/52/64/70/281526470.db2.gz ZXZQVAHBYIGETJ-FZMZJTMJSA-N 1 0 309.366 0.092 40 0 DCABRO COC[C@H]1CN(C(C)=O)CC12CC[NH+](CC(=O)N(C)C)CC2 ZINC000247963677 293231807 /nfs/dbraw/zinc/23/18/07/293231807.db2.gz FXVLQIUMMFMHPM-CQSZACIVSA-N 1 0 311.426 0.282 40 0 DCABRO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@@]21CC[NH2+]C1 ZINC000306140155 231089537 /nfs/dbraw/zinc/08/95/37/231089537.db2.gz ULZPKJPYZMDRTN-CQSZACIVSA-N 1 0 304.375 0.150 40 0 DCABRO C[NH2+]CC(=O)N1CCC[C@@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072383016 191142683 /nfs/dbraw/zinc/14/26/83/191142683.db2.gz IOHXDMRAARMGSO-GFCCVEGCSA-N 1 0 313.365 0.893 40 0 DCABRO CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257218247 202953796 /nfs/dbraw/zinc/95/37/96/202953796.db2.gz DCJWFJKXYLDZOB-GDBMZVCRSA-N 1 0 309.410 0.057 40 0 DCABRO [NH3+]CC(=O)N1CCC[C@@H](c2cncc(Nc3cnccn3)n2)C1 ZINC000257279142 203009169 /nfs/dbraw/zinc/00/91/69/203009169.db2.gz OFECIFZSTWOVBT-LLVKDONJSA-N 1 0 313.365 0.675 40 0 DCABRO Cc1n[nH]c(C)c1CCC(=O)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257286986 203013550 /nfs/dbraw/zinc/01/35/50/203013550.db2.gz PNYGWQBEMQDZEH-HUUCEWRRSA-N 1 0 306.410 0.627 40 0 DCABRO CN(C)C(=O)[C@@]1(CCCc2ccncc2)CCCN1C(=O)C[NH3+] ZINC000257289032 203015560 /nfs/dbraw/zinc/01/55/60/203015560.db2.gz PWRRKVFCVZRAIK-QGZVFWFLSA-N 1 0 318.421 0.812 40 0 DCABRO CC(=O)N1CC[N@H+](Cc2cccc(C)n2)C[C@H](C(=O)N(C)C)C1 ZINC000257292925 203017842 /nfs/dbraw/zinc/01/78/42/203017842.db2.gz QNMHKVSXHGTACJ-HNNXBMFYSA-N 1 0 318.421 0.759 40 0 DCABRO CNC(=O)[C@H]1CN(C(=O)CCc2ccc(F)cc2)CC[N@H+](C)C1 ZINC000257294263 203018907 /nfs/dbraw/zinc/01/89/07/203018907.db2.gz QTHLHCGDHPFGQF-CQSZACIVSA-N 1 0 321.396 0.895 40 0 DCABRO Cc1n[nH]cc1C[N@@H+]1CC[C@H](O)[C@@H](n2ccc(=O)[nH]c2=O)CC1 ZINC000257312100 203036503 /nfs/dbraw/zinc/03/65/03/203036503.db2.gz UMNPTFXJZJKGRL-STQMWFEESA-N 1 0 319.365 0.178 40 0 DCABRO CCCC(=O)N1CC[C@@H](c2nn(CC[NH3+])c3nccnc23)C1 ZINC000019501078 182126275 /nfs/dbraw/zinc/12/62/75/182126275.db2.gz BLACZOPTSVYAEB-LLVKDONJSA-N 1 0 302.382 0.901 40 0 DCABRO CC(C)NC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019450180 182124044 /nfs/dbraw/zinc/12/40/44/182124044.db2.gz CALOQDMJRZTWNK-STQMWFEESA-N 1 0 303.410 0.904 40 0 DCABRO COC(=O)[C@H]1C[C@H](C2CCN(S(C)(=O)=O)CC2)[N@H+](C)C1 ZINC000019587781 182132355 /nfs/dbraw/zinc/13/23/55/182132355.db2.gz BKFSDAWHFIXDMJ-NWDGAFQWSA-N 1 0 304.412 0.151 40 0 DCABRO CCN(CC)CC[NH2+]Cc1ccc(OCC(N)=O)c(OC)c1 ZINC000022075343 182307953 /nfs/dbraw/zinc/30/79/53/182307953.db2.gz KTLBSTHGEKBUAO-UHFFFAOYSA-N 1 0 309.410 0.991 40 0 DCABRO COCC[N@@H+]1CCOC[C@]2(CN(C(=O)CC3CC3)CCO2)C1 ZINC000096229398 285053225 /nfs/dbraw/zinc/05/32/25/285053225.db2.gz SWOJOMQXZHZSMA-MRXNPFEDSA-N 1 0 312.410 0.363 40 0 DCABRO Cn1cc(C[N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)NCC3CC3)C2)cn1 ZINC000096038680 256552442 /nfs/dbraw/zinc/55/24/42/256552442.db2.gz KFPJEIOLSTZEGJ-NVXWUHKLSA-N 1 0 318.421 0.927 40 0 DCABRO O=S(=O)(c1cnccc1N1CC[NH2+]CC1)N1CCCCC1 ZINC000072210650 257128395 /nfs/dbraw/zinc/12/83/95/257128395.db2.gz DQZYHPBHBCBPIQ-UHFFFAOYSA-N 1 0 310.423 0.666 40 0 DCABRO CC(C)NC(=O)N[C@H]1CO[C@@H](C[NH+]2CCC(F)(F)CC2)[C@@H]1O ZINC000514289109 257216173 /nfs/dbraw/zinc/21/61/73/257216173.db2.gz TTWAZGTYBFQAMK-SDDRHHMPSA-N 1 0 321.368 0.553 40 0 biogenic,in-vitro DCABRO CCC(=O)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224327589 257232977 /nfs/dbraw/zinc/23/29/77/257232977.db2.gz FHGAJANFJFXSKP-UHFFFAOYSA-N 1 0 305.382 0.372 40 0 DCABRO CC(C)C(=O)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224316698 257233048 /nfs/dbraw/zinc/23/30/48/257233048.db2.gz ZLDMTKJNJBOMEZ-UHFFFAOYSA-N 1 0 319.409 0.618 40 0 DCABRO COc1ncc(C2(O)CC[NH+](C[C@@H]3CCOC3)CC2)c(OC)n1 ZINC000012186347 395687202 /nfs/dbraw/zinc/68/72/02/395687202.db2.gz VIMVMXRICTVGQF-LBPRGKRZSA-N 1 0 323.393 0.814 40 0 DCABRO Cn1c2ncc3c(c2c(=O)n(CC[NH3+])c1=O)CC(C)(C)CC3=O ZINC000022610612 395691853 /nfs/dbraw/zinc/69/18/53/395691853.db2.gz OOBCUHIATALBGB-UHFFFAOYSA-N 1 0 316.361 0.209 40 0 DCABRO COCCO[C@@H]1C[C@H]2CN(c3cc(OC)ncn3)CC[N@@H+]2C1 ZINC000096183188 395747179 /nfs/dbraw/zinc/74/71/79/395747179.db2.gz GTTUPOBJRGVXIM-QWHCGFSZSA-N 1 0 308.382 0.411 40 0 DCABRO CN1CCN(CCO)C(=O)C12CC[NH+](Cc1ccco1)CC2 ZINC000096050077 395741709 /nfs/dbraw/zinc/74/17/09/395741709.db2.gz COJCMOKQYWJSCG-UHFFFAOYSA-N 1 0 307.394 0.381 40 0 DCABRO COCC[N@@H+]1CC[C@]2(C1)COCCN(S(=O)(=O)C1CC1)C2 ZINC000096062318 395741853 /nfs/dbraw/zinc/74/18/53/395741853.db2.gz WERXIRSSMGCPHI-CQSZACIVSA-N 1 0 318.439 0.149 40 0 DCABRO C[NH+](C)CC(=O)N1CCO[C@@H]2[C@@H](COc3ncccn3)CC[C@@H]21 ZINC000096082514 395743952 /nfs/dbraw/zinc/74/39/52/395743952.db2.gz BDCHLFJQJYSWPD-VNHYZAJKSA-N 1 0 320.393 0.423 40 0 DCABRO CS(=O)(=O)NC[C@]12COC[C@H]1C[N@H+](CCc1ccccc1)C2 ZINC000096108340 395744941 /nfs/dbraw/zinc/74/49/41/395744941.db2.gz ZYEFULFLQVPQMT-CVEARBPZSA-N 1 0 324.446 0.727 40 0 DCABRO Cn1cc([C@@H]2CC(=O)NC23CC[NH+]([C@@H]2CCOC2)CC3)cn1 ZINC000096199827 395749026 /nfs/dbraw/zinc/74/90/26/395749026.db2.gz FPLNFVWQQSMKNE-KGLIPLIRSA-N 1 0 304.394 0.647 40 0 DCABRO O=S(=O)(C1CC1)N1CCO[C@@H]2C[N@H+](CC3CC3)C[C@@H]2C1 ZINC000096205893 395749558 /nfs/dbraw/zinc/74/95/58/395749558.db2.gz TZOVGVYBLZEWKO-TZMCWYRMSA-N 1 0 300.424 0.521 40 0 DCABRO O=C([C@H]1CO[C@@H]2C[N@H+](Cc3ccncc3)C[C@H]12)N1CCCO1 ZINC000096216823 395749792 /nfs/dbraw/zinc/74/97/92/395749792.db2.gz HSFDHTUBWCXTAN-QLFBSQMISA-N 1 0 303.362 0.692 40 0 DCABRO Cn1nccc1C[NH+]1CCC2(CC(NS(C)(=O)=O)C2)CC1 ZINC000108525780 395790198 /nfs/dbraw/zinc/79/01/98/395790198.db2.gz OWALLSVHUAWRPN-UHFFFAOYSA-N 1 0 312.439 0.714 40 0 DCABRO CS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@]1(N)C[NH3+] ZINC000218193125 395842354 /nfs/dbraw/zinc/84/23/54/395842354.db2.gz VXDGQQJHJDKERH-DCAQKATOSA-N 1 0 319.224 0.616 40 0 DCABRO COc1ccccc1C[N@@H+]1CCN(C(C)=O)C[C@H](C(N)=O)C1 ZINC000257217209 396038684 /nfs/dbraw/zinc/03/86/84/396038684.db2.gz CYACTIPNAJSHCO-CQSZACIVSA-N 1 0 305.378 0.461 40 0 DCABRO Cc1nc([C@@H]2COCCN2C(=O)C2CC[NH+](C)CC2)cc(=O)[nH]1 ZINC000257223211 396040357 /nfs/dbraw/zinc/04/03/57/396040357.db2.gz DWKDRXYVUPNILE-AWEZNQCLSA-N 1 0 320.393 0.732 40 0 DCABRO COc1ccc(C(=O)N2CC[N@H+](C)C[C@@H](C(N)=O)C2)cc1F ZINC000257251045 396043852 /nfs/dbraw/zinc/04/38/52/396043852.db2.gz JPEIUNANRPLLED-LLVKDONJSA-N 1 0 309.341 0.323 40 0 DCABRO CC1CC[NH+](CC(=O)N2CCO[C@H](c3nccnc3N)C2)CC1 ZINC000257261799 396044255 /nfs/dbraw/zinc/04/42/55/396044255.db2.gz LIWKWHNPDMZRKA-ZDUSSCGKSA-N 1 0 319.409 0.691 40 0 DCABRO CN1CC[NH+](C[C@]2(O)CCCN(C(=O)c3c[nH]cn3)CC2)CC1 ZINC000257257908 396044488 /nfs/dbraw/zinc/04/44/88/396044488.db2.gz KROZJXWNLYDBRT-INIZCTEOSA-N 1 0 321.425 0.014 40 0 DCABRO CN(C)C(=O)C[N@@H+]1CCC[C@@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099660 396639164 /nfs/dbraw/zinc/63/91/64/396639164.db2.gz VDBWXSJNZNAZQQ-HNNXBMFYSA-N 1 0 322.434 0.656 40 0 DCABRO O=C1CO[C@H]2CN(Cc3ncc[nH]3)C[C@H]2N1Cc1ccncc1 ZINC000067897140 415390482 /nfs/dbraw/zinc/39/04/82/415390482.db2.gz NFTMSKGKFBHRRJ-KGLIPLIRSA-N 1 0 313.361 0.417 40 0 biogenic,in-vitro DCABRO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](C3CCOCC3)C[C@@H]2C1=O ZINC000096249053 415575708 /nfs/dbraw/zinc/57/57/08/415575708.db2.gz UKRHWVYTOFLVRL-JSGCOSHPSA-N 1 0 309.410 0.034 40 0 DCABRO COCC[N@H+]1C[C@@H](NC(=O)c2cnccn2)[C@H]2OCCC[C@H]2C1 ZINC000097953492 415589320 /nfs/dbraw/zinc/58/93/20/415589320.db2.gz MSMHOGICMIYEKH-CFVMTHIKSA-N 1 0 320.393 0.332 40 0 DCABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[NH2+]C[C@@H]2C3)cc1 ZINC000306134716 416104676 /nfs/dbraw/zinc/10/46/76/416104676.db2.gz NVVDWAXGKYUTEX-WDEREUQCSA-N 1 0 313.361 0.931 40 0 DCABRO CNc1nc(NCCN2CC[NH+](C)CC2)cc(C(F)(F)F)n1 ZINC000329066137 416148144 /nfs/dbraw/zinc/14/81/44/416148144.db2.gz XXJRIUBWQSEZLW-UHFFFAOYSA-N 1 0 318.347 0.040 40 0 DCABRO CC1CC[NH+](CC(=O)N2CCO[C@@H](c3nccnc3N)C2)CC1 ZINC000257261798 416334990 /nfs/dbraw/zinc/33/49/90/416334990.db2.gz LIWKWHNPDMZRKA-CYBMUJFWSA-N 1 0 319.409 0.691 40 0 DCABRO COCCN(C)[C@@H]1CCC[C@H]([NH+]2CCC(C(=O)[O-])CC2)[C@H]1O ZINC000257237008 416335055 /nfs/dbraw/zinc/33/50/55/416335055.db2.gz HEUWCKCIVXZCQZ-ILXRZTDVSA-N 1 0 314.426 0.643 40 0 DCABRO C[NH2+][C@H]1CC2(CCN(S(=O)(=O)C(C)C)CC2)OC[C@]1(C)O ZINC000257307570 416335270 /nfs/dbraw/zinc/33/52/70/416335270.db2.gz SZGTZRIUANHFSR-STQMWFEESA-N 1 0 320.455 0.319 40 0 DCABRO [NH3+]CCc1ccc(C(=O)N2CC[C@H](O)[C@]3(CCCO3)C2)cc1 ZINC000257288078 416335286 /nfs/dbraw/zinc/33/52/86/416335286.db2.gz PSSKWDCLDYWUFD-RDJZCZTQSA-N 1 0 304.390 0.944 40 0 DCABRO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@]21CC[NH2+]C1 ZINC000306140154 275042784 /nfs/dbraw/zinc/04/27/84/275042784.db2.gz ULZPKJPYZMDRTN-AWEZNQCLSA-N 1 0 304.375 0.150 40 0 DCABRO CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@]21c2ccccc2NC1=O ZINC000033821664 277020259 /nfs/dbraw/zinc/02/02/59/277020259.db2.gz DCRBRVDUGWUHLR-PFHKOEEOSA-N 1 0 311.341 0.543 40 0 DCABRO C[C@H](C(=O)NCC[NH+](C)C)N(c1ccccc1)S(C)(=O)=O ZINC000010111573 298153636 /nfs/dbraw/zinc/15/36/36/298153636.db2.gz HHBHYXWSIOZPCT-GFCCVEGCSA-N 1 0 313.423 0.519 40 0 DCABRO O=S(=O)(NC[C@H]1C[NH2+]Cc2nccn2C1)c1ccccc1 ZINC000306139268 534868728 /nfs/dbraw/zinc/86/87/28/534868728.db2.gz STQXZTJKDPXIHT-GFCCVEGCSA-N 1 0 306.391 0.581 40 0 DCABRO Cc1nccn1CCNC(=O)c1cncc([C@H]2CCC[NH2+]2)n1 ZINC000072365692 191133879 /nfs/dbraw/zinc/13/38/79/191133879.db2.gz QOTLCLNPUUMFRB-GFCCVEGCSA-N 1 0 300.366 0.836 40 0 DCABRO Cc1nc(C(=O)NCc2ncc[nH]2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000072365705 191136094 /nfs/dbraw/zinc/13/60/94/191136094.db2.gz QNYLFYRZXWCIGZ-NSHDSACASA-N 1 0 300.366 0.905 40 0 DCABRO CN(C)C(=O)c1cccc(C[C@H]2COCC[N@H+](CCO)C2)n1 ZINC000072381115 191142290 /nfs/dbraw/zinc/14/22/90/191142290.db2.gz MIPOWLALCFUJHY-CYBMUJFWSA-N 1 0 307.394 0.267 40 0 DCABRO Cn1nc(C(=O)N2C[C@@H](O)[C@H]([NH+](C)C)C2)cc1C(F)(F)F ZINC000257276273 203003511 /nfs/dbraw/zinc/00/35/11/203003511.db2.gz NTBJLUBAHNWWML-RKDXNWHRSA-N 1 0 306.288 0.186 40 0 DCABRO O=C1CO[C@H]2CC[N@H+](Cc3cccc(OCCO)c3)CC[C@@H]2N1 ZINC000257308850 203035129 /nfs/dbraw/zinc/03/51/29/203035129.db2.gz TYKATVDCYGOWOR-HOTGVXAUSA-N 1 0 320.389 0.537 40 0 DCABRO C[C@@]12C[C@H](C[NH3+])N(C(=O)Cn3ccnc3)[C@@H]1CCCC[C@H]2O ZINC000257279017 203008664 /nfs/dbraw/zinc/00/86/64/203008664.db2.gz OEQFDSKYMWLSME-IXYNUQLISA-N 1 0 306.410 0.753 40 0 DCABRO C[N@@H+]1CCN(C(=O)CCc2ccccc2F)C[C@@H](C(N)=O)C1 ZINC000257334787 203056010 /nfs/dbraw/zinc/05/60/10/203056010.db2.gz YHJYNLVVSOGJCX-ZDUSSCGKSA-N 1 0 307.369 0.634 40 0 DCABRO CN1CC[NH+]([C@H]2CCN(C(=O)c3cscn3)CC[C@@H]2O)CC1 ZINC000257338236 203060642 /nfs/dbraw/zinc/06/06/42/203060642.db2.gz YWNUAMYYOCMANJ-KBPBESRZSA-N 1 0 324.450 0.356 40 0 DCABRO C[N@@H+]1CCN(C(=O)c2n[nH]c3ccccc32)C[C@H](C(N)=O)C1 ZINC000257341571 203063120 /nfs/dbraw/zinc/06/31/20/203063120.db2.gz ZKXPXQREKRIMNL-SNVBAGLBSA-N 1 0 301.350 0.052 40 0 DCABRO COc1cccc(OC)c1C(=O)NCCN1CC[NH+](C)CC1 ZINC000022830024 182335730 /nfs/dbraw/zinc/33/57/30/182335730.db2.gz WXSWFNWIMFUBSA-UHFFFAOYSA-N 1 0 307.394 0.681 40 0 DCABRO O=C(c1ccc[nH]1)N1CC[C@@H]2[C@@H]1CC(=O)N2CC[NH+]1CCCC1 ZINC000096183938 296246722 /nfs/dbraw/zinc/24/67/22/296246722.db2.gz UQKFSIQDNMFPPC-CABCVRRESA-N 1 0 316.405 0.926 40 0 DCABRO CC1(C)[C@H]2CC[C@]1(C)[C@H](N(CCO)CCO)[C@@H]2[NH2+]CCO ZINC000039738149 183021714 /nfs/dbraw/zinc/02/17/14/183021714.db2.gz ZYCSCYZDDHQTMB-DSJMHWKBSA-N 1 0 300.443 0.048 40 0 DCABRO CC(=O)N1C[C@@H]2C[N@@H+](C3CCCCC3)CCN2[C@](C)(CO)C1 ZINC000514288335 257216537 /nfs/dbraw/zinc/21/65/37/257216537.db2.gz LZAWRUNLKWDHJG-IRXDYDNUSA-N 1 0 309.454 0.918 40 0 biogenic,in-vitro DCABRO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000012909955 395688200 /nfs/dbraw/zinc/68/82/00/395688200.db2.gz IDOMCNAYGAWNAG-DCAQKATOSA-N 1 0 322.409 0.215 40 0 DCABRO C[C@@H]1CN(c2nccc(CN3CC[NH+](C)CC3)n2)C[C@@H](C)O1 ZINC000019497690 395690995 /nfs/dbraw/zinc/69/09/95/395690995.db2.gz CZLJDLSZJZURJD-ZIAGYGMSSA-N 1 0 305.426 0.838 40 0 DCABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc(N2CCOCC2)nc1 ZINC000019575824 395691072 /nfs/dbraw/zinc/69/10/72/395691072.db2.gz MRCWZGHVMOHAFZ-GOEBONIOSA-N 1 0 317.437 0.982 40 0 DCABRO CC[NH+](CC)CCOC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000001748019 395681086 /nfs/dbraw/zinc/68/10/86/395681086.db2.gz LDAMQAZOZRFNKL-UHFFFAOYSA-N 1 0 300.380 0.833 40 0 DCABRO Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@@H]3CNC(=O)C3CC3)C2)cn1 ZINC000096187321 395747993 /nfs/dbraw/zinc/74/79/93/395747993.db2.gz DNVXGQRWMCVFRB-BZUAXINKSA-N 1 0 318.421 0.783 40 0 DCABRO COCCNC(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cnn(C)c2)O1 ZINC000096057334 395742034 /nfs/dbraw/zinc/74/20/34/395742034.db2.gz DVYQAVSNOMTAGM-KFWWJZLASA-N 1 0 322.409 0.305 40 0 DCABRO CN(C)C(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccncc1 ZINC000096056541 395742075 /nfs/dbraw/zinc/74/20/75/395742075.db2.gz BXWFLSVZLNBJGM-HUUCEWRRSA-N 1 0 316.405 0.735 40 0 DCABRO C[NH+](C)CC(=O)N1C[C@@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000096065960 395742359 /nfs/dbraw/zinc/74/23/59/395742359.db2.gz PXHXVJFAEFVMBD-INMHGKMJSA-N 1 0 319.405 0.918 40 0 DCABRO CCS(=O)(=O)N1CCOC[C@]2(CC[N@H+](CCOC)C2)C1 ZINC000096087606 395743991 /nfs/dbraw/zinc/74/39/91/395743991.db2.gz GWFCCZIXJTWFFF-ZDUSSCGKSA-N 1 0 306.428 0.007 40 0 DCABRO O=C(N1CCCO1)[C@]12COC[C@H]1C[N@H+](Cc1nccs1)C2 ZINC000096110137 395744728 /nfs/dbraw/zinc/74/47/28/395744728.db2.gz SNZDBMUVUANYOE-BXUZGUMPSA-N 1 0 309.391 0.755 40 0 DCABRO CNC(=O)C1([N@@H+]2CCC[C@H]2C(=O)N2CCOCC2)CCCCC1 ZINC000096113090 395745240 /nfs/dbraw/zinc/74/52/40/395745240.db2.gz FJONJZRWMGZNCI-AWEZNQCLSA-N 1 0 323.437 0.759 40 0 biogenic,in-vitro DCABRO OCC[N@@H+]1CCOC[C@]2(C[C@@H](CNc3ccccn3)CO2)C1 ZINC000096240673 395751108 /nfs/dbraw/zinc/75/11/08/395751108.db2.gz WCVQPAPZPRKBSH-HOCLYGCPSA-N 1 0 307.394 0.593 40 0 DCABRO CC(=O)N1CC2(C[C@@]1(C)CO)CC[NH+](CC(=O)N(C)C)CC2 ZINC000257203591 396036946 /nfs/dbraw/zinc/03/69/46/396036946.db2.gz AQUFIASYLZDJAW-HNNXBMFYSA-N 1 0 311.426 0.160 40 0 DCABRO C[NH+](C)C[C@@]1(O)CCN(S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000257227793 396040806 /nfs/dbraw/zinc/04/08/06/396040806.db2.gz FQXKBYWBJZQNSY-ZDUSSCGKSA-N 1 0 320.361 0.652 40 0 DCABRO CCS(=O)(=O)N1CC[C@@](O)(C[N@@H+]2CCc3ccccc3C2)C1 ZINC000257241743 396042621 /nfs/dbraw/zinc/04/26/21/396042621.db2.gz HZLKXASNHGAJTR-MRXNPFEDSA-N 1 0 324.446 0.831 40 0 DCABRO O=C(NCc1ncc[nH]1)[C@@H]1CN(c2ccc(F)cc2)CC[NH2+]1 ZINC000257266623 396045643 /nfs/dbraw/zinc/04/56/43/396045643.db2.gz MDTGOIMSFGCYSB-ZDUSSCGKSA-N 1 0 303.341 0.643 40 0 DCABRO COC(=O)c1ccc(CS(=O)(=O)NCC[NH+](C)C)cc1 ZINC000192891460 396439485 /nfs/dbraw/zinc/43/94/85/396439485.db2.gz IIVZNUOPHIRRBE-UHFFFAOYSA-N 1 0 300.380 0.454 40 0 DCABRO Cc1ccc(OC[C@]2(O)COCCN(C(=O)C[NH+](C)C)C2)cc1 ZINC000585269037 396643087 /nfs/dbraw/zinc/64/30/87/396643087.db2.gz ILVGAGSAMHEWSR-QGZVFWFLSA-N 1 0 322.405 0.525 40 0 DCABRO Cc1nccc(C[C@H]2[C@H]([NH2+]C3CCOCC3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382066 397638803 /nfs/dbraw/zinc/63/88/03/397638803.db2.gz BWEIPIYTKZSENB-QBPKDAKJSA-N 1 0 321.421 0.454 40 0 biogenic,in-vitro DCABRO O=C(C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CCCC3)[C@@H](O)[C@H]2O1)NC1CC1 ZINC000604381814 397638977 /nfs/dbraw/zinc/63/89/77/397638977.db2.gz PRANUJROIQXYLC-SZVRAQGESA-N 1 0 324.421 0.473 40 0 biogenic,in-vitro DCABRO CCOC[C@@H]1CCC2(CCN(S(=O)(=O)N(C)C)CC2)[N@@H+]1C ZINC000096207067 415578507 /nfs/dbraw/zinc/57/85/07/415578507.db2.gz AVTOHHVHEGDGNU-ZDUSSCGKSA-N 1 0 319.471 0.758 40 0 DCABRO Cc1cc(N)cc([C@@H]2CN(S(=O)(=O)N(C)C)CCO2)[nH+]1 ZINC000257272041 416335007 /nfs/dbraw/zinc/33/50/07/416335007.db2.gz NAVYWURETKGKFM-LBPRGKRZSA-N 1 0 300.384 0.152 40 0 DCABRO CNC(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](CC3CC3)CC2)O1 ZINC000096036757 277246902 /nfs/dbraw/zinc/24/69/02/277246902.db2.gz GTLUSSHWGLJRDL-ZDUSSCGKSA-N 1 0 304.394 0.729 40 0 DCABRO C[NH+](C)CCN1CC[C@]2(CCCN(C(=O)[C@@H]3CCOC3)C2)C1=O ZINC000096073946 289156688 /nfs/dbraw/zinc/15/66/88/289156688.db2.gz TUKHRMPRMOQCCX-PBHICJAKSA-N 1 0 323.437 0.426 40 0 DCABRO CN(C)c1cn[nH+]c(N2CCN(C(=O)c3ccccn3)CC2)c1 ZINC000224310632 333408316 /nfs/dbraw/zinc/40/83/16/333408316.db2.gz WSRAQFBPIFCHRP-UHFFFAOYSA-N 1 0 312.377 0.900 40 0 DCABRO CC(C)([NH3+])C(=O)N1CCC[C@]2(Cc3c(nc(N)nc3N)O2)CC1 ZINC000257299176 203023258 /nfs/dbraw/zinc/02/32/58/203023258.db2.gz RPAHIXLXPYLHOR-OAHLLOKOSA-N 1 0 320.397 0.065 40 0 DCABRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)CN2CCCC2=O)cc1 ZINC000257304109 203028544 /nfs/dbraw/zinc/02/85/44/203028544.db2.gz SKCWPCDMENPYPO-HNNXBMFYSA-N 1 0 317.389 0.791 40 0 DCABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCN(C(=O)CC3CC3)C2)CC1 ZINC000257303623 203028658 /nfs/dbraw/zinc/02/86/58/203028658.db2.gz SHYWBKKWHVSCDS-KRWDZBQOSA-N 1 0 323.437 0.350 40 0 DCABRO CNC(=O)[C@H]1CN(C(=O)c2n[nH]c3ccccc32)CC[N@H+](C)C1 ZINC000257330935 203053881 /nfs/dbraw/zinc/05/38/81/203053881.db2.gz XQRHYPVDSQDLJB-LLVKDONJSA-N 1 0 315.377 0.313 40 0 DCABRO C[N@@H+]1CCN(C(=O)CCc2ccccc2F)C[C@H](C(N)=O)C1 ZINC000257334786 203056718 /nfs/dbraw/zinc/05/67/18/203056718.db2.gz YHJYNLVVSOGJCX-CYBMUJFWSA-N 1 0 307.369 0.634 40 0 DCABRO CNC(=O)[C@@H]1CN(C(=O)Cc2sc(C)nc2C)CC[N@H+](C)C1 ZINC000257318049 203044055 /nfs/dbraw/zinc/04/40/55/203044055.db2.gz VMFZTOKYQDSWDH-LBPRGKRZSA-N 1 0 324.450 0.439 40 0 DCABRO CCOCC(=O)N1C[C@@H](O)[C@H]([N@H+](C)Cc2ccc(OC)cc2)C1 ZINC000257336478 203058161 /nfs/dbraw/zinc/05/81/61/203058161.db2.gz YOQQAVKKWLCRBK-HZPDHXFCSA-N 1 0 322.405 0.735 40 0 DCABRO C[C@H](COC[C@H](O)C[NH+]1CCN(CCO)CC1)c1ccccc1 ZINC000022465262 182323027 /nfs/dbraw/zinc/32/30/27/182323027.db2.gz YYSXXIALKGJBLH-SJLPKXTDSA-N 1 0 322.449 0.778 40 0 DCABRO CC(=O)NC1(C(=[NH2+])NO)CCN(C(=O)OC(C)(C)C)CC1 ZINC000070453702 257128095 /nfs/dbraw/zinc/12/80/95/257128095.db2.gz QUTOSPGTSKGXSY-UHFFFAOYSA-N 1 0 300.359 0.848 40 0 DCABRO O=S1(=O)CC[C@H]([NH2+]CCNC(=S)Nc2ccccc2)C1 ZINC000012139546 395687036 /nfs/dbraw/zinc/68/70/36/395687036.db2.gz 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CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)c1cnccn1)CC2 ZINC000096075253 395743071 /nfs/dbraw/zinc/74/30/71/395743071.db2.gz WPMHAJRSHNSAGU-UHFFFAOYSA-N 1 0 317.393 0.293 40 0 DCABRO Cn1cncc1C[N@H+]1CCc2nnc(Cn3cccc3)n2CC1 ZINC000096084977 395744020 /nfs/dbraw/zinc/74/40/20/395744020.db2.gz VEFGXDYHEAPIEI-UHFFFAOYSA-N 1 0 311.393 0.920 40 0 DCABRO Cc1ccc(C[NH2+][C@@H]2CO[C@H](CNC(=O)NC(C)C)[C@H]2O)cc1 ZINC000096111600 395744921 /nfs/dbraw/zinc/74/49/21/395744921.db2.gz IAZCPULTWSXSJM-OAGGEKHMSA-N 1 0 321.421 0.921 40 0 biogenic,in-vitro DCABRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H]2Cn3ccnc3CO2)cc1 ZINC000096296265 395752335 /nfs/dbraw/zinc/75/23/35/395752335.db2.gz HGTYTRMZWHTELV-ZDUSSCGKSA-N 1 0 321.402 0.975 40 0 biogenic,in-vitro DCABRO [NH3+]C1CCN(c2nccn3c(=O)n(Cc4ccccc4)nc23)CC1 ZINC000096530672 395754262 /nfs/dbraw/zinc/75/42/62/395754262.db2.gz ZEMYYYXBUKIERD-UHFFFAOYSA-N 1 0 324.388 0.867 40 0 DCABRO CS(=O)(=O)N1CCOC[C@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096202157 395749319 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O=C(c1ccc2[nH]cnc2c1)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257204993 396036921 /nfs/dbraw/zinc/03/69/21/396036921.db2.gz AXDXEGJMCUFBJW-HUUCEWRRSA-N 1 0 300.362 0.844 40 0 DCABRO CN(C(=O)Cn1ccnc1)[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257220840 396038632 /nfs/dbraw/zinc/03/86/32/396038632.db2.gz DMJWAKPVJHGGCR-IIAWOOMASA-N 1 0 306.410 0.719 40 0 DCABRO CCCn1ccc(C(=O)N2CC[N@H+](C)C[C@@H](C(=O)NC)C2)n1 ZINC000257252031 396043355 /nfs/dbraw/zinc/04/33/55/396043355.db2.gz JTHJRQYVAMEKDL-GFCCVEGCSA-N 1 0 307.398 0.043 40 0 DCABRO Cc1cc(C)n2ncc(CN3CC[N@@H+](C)C[C@@H](C(N)=O)C3)c2n1 ZINC000257250926 396043627 /nfs/dbraw/zinc/04/36/27/396043627.db2.gz JOPCMZXTSKQWCZ-CQSZACIVSA-N 1 0 316.409 0.195 40 0 DCABRO O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H]1O)C1CC1 ZINC000077263959 396216174 /nfs/dbraw/zinc/21/61/74/396216174.db2.gz YRYSWJVCOCKLQY-KFWWJZLASA-N 1 0 308.353 0.570 40 0 biogenic,in-vitro DCABRO COc1ncc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H](O)[C@H]2CO)cn1 ZINC000585293522 396648525 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CS(=O)(=O)N[C@@H]1COC[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]21 ZINC000107203750 415661103 /nfs/dbraw/zinc/66/11/03/415661103.db2.gz YFJDZYAQZZVRRB-WCFLWFBJSA-N 1 0 316.448 0.744 40 0 DCABRO CC(C)C[N@@H+]1CCN2[C@H](CN(S(C)(=O)=O)CC2(C)C)C1 ZINC000253409253 416334821 /nfs/dbraw/zinc/33/48/21/416334821.db2.gz ZVGUTUMRGXUEOV-ZDUSSCGKSA-N 1 0 303.472 0.682 40 0 biogenic,in-vitro DCABRO Nc1cc(CC[C@H]2CN(C(=O)c3ccncn3)CCO2)cc[nH+]1 ZINC000257285930 416334912 /nfs/dbraw/zinc/33/49/12/416334912.db2.gz PJLQLBSFRYYQFY-ZDUSSCGKSA-N 1 0 313.361 0.928 40 0 DCABRO C[NH+](C)CCC(=O)N1C[C@H]2OC[C@@H](CN3CCCC3=O)[C@H]2C1 ZINC000585094083 416518896 /nfs/dbraw/zinc/51/88/96/416518896.db2.gz NQZUUDRDKFKREP-MGPQQGTHSA-N 1 0 309.410 0.034 40 0 DCABRO C[C@@H]1C[N@@H+](CCN2C[C@H](C)N(C=O)C[C@@H]2C)[C@H](C)CN1C=O ZINC000022580339 288175822 /nfs/dbraw/zinc/17/58/22/288175822.db2.gz GCZCLZLARXQADG-GEEKYZPCSA-N 1 0 310.442 0.088 40 0 DCABRO CCC[N@H+]1C[C@@H]2Cc3nnc(C(=O)NCCOC)n3C[C@@H]2C1 ZINC000306137209 528294175 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40 0 DCABRO COCC(=O)N1CC[N@H+](C)C[C@@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072378178 191140632 /nfs/dbraw/zinc/14/06/32/191140632.db2.gz TUAUJTVGQXDLNA-CYBMUJFWSA-N 1 0 321.425 0.122 40 0 DCABRO Cc1cc(Nc2ncccn2)nc([C@H]2CCN(C(=O)C[NH3+])C2)n1 ZINC000072382990 191142981 /nfs/dbraw/zinc/14/29/81/191142981.db2.gz LOVOBHYYERYHBL-NSHDSACASA-N 1 0 313.365 0.593 40 0 DCABRO Nc1nccnc1C[C@@H]1CCCN(C(=O)C2CC[NH2+]CC2)C1 ZINC000257257100 202990690 /nfs/dbraw/zinc/99/06/90/202990690.db2.gz KOCOXDIYEZDEQX-LBPRGKRZSA-N 1 0 303.410 0.840 40 0 DCABRO CNC(=O)[C@@H]1CN(C(=O)CCc2cccnc2)CC[N@H+](C)C1 ZINC000257275903 203004927 /nfs/dbraw/zinc/00/49/27/203004927.db2.gz NRLPKZZLMUPHBP-AWEZNQCLSA-N 1 0 304.394 0.150 40 0 DCABRO C[NH+](C)C[C@]1(O)CCN(C(=O)Cn2ccc(C(F)(F)F)n2)C1 ZINC000257295532 203021580 /nfs/dbraw/zinc/02/15/80/203021580.db2.gz QYSNWERIAGLEDN-GFCCVEGCSA-N 1 0 320.315 0.427 40 0 DCABRO CCc1nccn1CCC(=O)N[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257280367 203007378 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Cc1cc(CC[C@@H]2C[N@H+](CC3(O)CCOCC3)CCO2)ncn1 ZINC000257342873 203064881 /nfs/dbraw/zinc/06/48/81/203064881.db2.gz ZQLHBDBNVXNIEH-MRXNPFEDSA-N 1 0 321.421 0.960 40 0 DCABRO CC[NH+](CC)C[C@@H]1OC[C@@H](NC(=O)Nc2cccnc2)[C@H]1O ZINC000514289306 257216702 /nfs/dbraw/zinc/21/67/02/257216702.db2.gz PSESWXOMBDQSJC-HZSPNIEDSA-N 1 0 308.382 0.673 40 0 biogenic,in-vitro DCABRO CN(C)S(=O)(=O)c1ccc(N2CC[C@@H]([NH3+])C2)c2nonc21 ZINC000002556799 395681631 /nfs/dbraw/zinc/68/16/31/395681631.db2.gz SZJGHUNJZRXXCA-MRVPVSSYSA-N 1 0 311.367 0.011 40 0 DCABRO CNC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2N1C(C)=O ZINC000096182729 395747435 /nfs/dbraw/zinc/74/74/35/395747435.db2.gz XSXLRNAZFCNZSO-OAGGEKHMSA-N 1 0 301.390 0.854 40 0 DCABRO C[NH+](C)CCN1CCOC[C@@]2(CN(Cc3ccco3)CCO2)C1 ZINC000096049770 395741731 /nfs/dbraw/zinc/74/17/31/395741731.db2.gz IFYZKKREKIFVBZ-KRWDZBQOSA-N 1 0 323.437 0.744 40 0 DCABRO CN(C)C(=O)Cn1cc2c(n1)[C@@H](C[NH2+]Cc1ccco1)OCC2 ZINC000096059725 395742082 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O=C1CCCN1C[C@H]1Cn2ccnc2C[N@H+](C[C@@H]2CCOC2)C1 ZINC000096188465 296320115 /nfs/dbraw/zinc/32/01/15/296320115.db2.gz AMOUVZRXLRPKGM-LSDHHAIUSA-N 1 0 318.421 0.974 40 0 DCABRO CS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@]1([NH3+])CO ZINC000252516106 257106467 /nfs/dbraw/zinc/10/64/67/257106467.db2.gz QCSIBHHRBPDCHR-HBNTYKKESA-N 1 0 320.208 0.649 40 0 DCABRO COC[C@]1(C[NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(C)(=O)=O ZINC000218133814 257130689 /nfs/dbraw/zinc/13/06/89/257130689.db2.gz FZKSKURBGOAIMN-MELADBBJSA-N 1 0 313.375 0.517 40 0 DCABRO CN1C(=O)c2cccnc2O[C@H]2CN(C3CC[NH+](C)CC3)C[C@H]21 ZINC000514288904 257216192 /nfs/dbraw/zinc/21/61/92/257216192.db2.gz DAEQBOMPWRSEST-CABCVRRESA-N 1 0 316.405 0.693 40 0 biogenic,in-vitro DCABRO CC(C)C[NH+]1CC2(C1)CN(C(=O)C(C)C)C[C@H]1C[C@@H](O)CN12 ZINC000514289180 257216280 /nfs/dbraw/zinc/21/62/80/257216280.db2.gz JAJUIJSWGBBBDE-HUUCEWRRSA-N 1 0 309.454 0.630 40 0 biogenic,in-vitro DCABRO C[NH+](C)C[C@H]1CC[C@]2(COCCN(C(=O)c3ccnnc3)C2)O1 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0.993 40 0 DCABRO Cn1ccc(C(=O)N2CC[C@@H]3OCCN(CC4CC4)[C@H]3C2)n1 ZINC000108527554 395790147 /nfs/dbraw/zinc/79/01/47/395790147.db2.gz HEZDQOIYBLHLQQ-GJZGRUSLSA-N 1 0 304.394 0.745 40 0 DCABRO CSCC[C@H]([NH3+])C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000135634429 395941919 /nfs/dbraw/zinc/94/19/19/395941919.db2.gz ZMSKGTWYKHTIRQ-XQQFMLRXSA-N 1 0 321.446 0.874 40 0 DCABRO [NH3+]CCC(=O)NC[C@@]1(O)CCN(c2ccnc3cccnc32)C1 ZINC000257200927 396036235 /nfs/dbraw/zinc/03/62/35/396036235.db2.gz AFJHZJPCGSGFQX-INIZCTEOSA-N 1 0 315.377 0.036 40 0 DCABRO Cc1cc(CCC(=O)N(C)C)nc([C@H]2CCC[N@H+](CCO)C2)n1 ZINC000257204612 396037213 /nfs/dbraw/zinc/03/72/13/396037213.db2.gz AVNDMHAIXVOINC-AWEZNQCLSA-N 1 0 320.437 0.978 40 0 DCABRO CN(C)c1cc(C[C@H]2C[NH2+]CCN(C3CCOCC3)C2)ncn1 ZINC000257237685 396041692 /nfs/dbraw/zinc/04/16/92/396041692.db2.gz HHPYKIRQVYDMIV-AWEZNQCLSA-N 1 0 319.453 0.786 40 0 DCABRO Nc1nccnc1[C@H]1CN(C(=O)C[NH+]2CCCCC2)CCO1 ZINC000257264629 396045318 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O=C(NC1CC1)c1nnc2n1C[C@H]1C[N@H+](C3CCC3)C[C@@H]1C2 ZINC000306143242 396755112 /nfs/dbraw/zinc/75/51/12/396755112.db2.gz XWYCYEUNLVRCCM-WDEREUQCSA-N 1 0 301.394 0.827 40 0 DCABRO COCCc1nccc(C[C@H]2[C@H]([NH2+]C(C)C)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382403 397638823 /nfs/dbraw/zinc/63/88/23/397638823.db2.gz QVTMTSKFDVKCGJ-KLHDSHLOSA-N 1 0 323.437 0.564 40 0 biogenic,in-vitro DCABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC[C@H](O)C[NH+](CCO)CCO)C2 ZINC000009970716 415144432 /nfs/dbraw/zinc/14/44/32/415144432.db2.gz YFIFEYBQMMKHOO-ANQUJSFKSA-N 1 0 315.454 0.865 40 0 DCABRO CC(=O)N1CCC(O)(C[NH+]2CCC(c3noc(C)n3)CC2)CC1 ZINC000072367445 415412994 /nfs/dbraw/zinc/41/29/94/415412994.db2.gz YVASGPIEGTVOET-UHFFFAOYSA-N 1 0 322.409 0.931 40 0 DCABRO NC(=O)CN1C(=O)CO[C@H]2CN(Cc3ccc(Cl)cc3)C[C@H]21 ZINC000067897673 415389290 /nfs/dbraw/zinc/38/92/90/415389290.db2.gz MUTONYWCWDTKRZ-OLZOCXBDSA-N 1 0 323.780 0.237 40 0 biogenic,in-vitro DCABRO CNC(=O)[C@@H]1CN(c2ccncn2)CC[N@@H+](C2CCOCC2)C1 ZINC000257317756 416335226 /nfs/dbraw/zinc/33/52/26/416335226.db2.gz VKZPGIZLKYJNTD-ZDUSSCGKSA-N 1 0 319.409 0.140 40 0 DCABRO CNC(=O)[C@@H]1CN(C(=O)c2n[nH]c3ccccc32)CC[N@H+](C)C1 ZINC000257330936 416335278 /nfs/dbraw/zinc/33/52/78/416335278.db2.gz XQRHYPVDSQDLJB-NSHDSACASA-N 1 0 315.377 0.313 40 0 DCABRO O=S1(=O)C[C@H](O)[C@H](NCC[NH2+]Cc2ccccc2Cl)C1 ZINC000575421782 417536088 /nfs/dbraw/zinc/53/60/88/417536088.db2.gz RMBVIRZBMXFHFS-OLZOCXBDSA-N 1 0 318.826 0.177 40 0 DCABRO COCC[NH+]1CCC2(CC1)CN(Cc1cccnc1)C(=O)CO2 ZINC000096201419 277219916 /nfs/dbraw/zinc/21/99/16/277219916.db2.gz YKKFTDIQTZWPAK-UHFFFAOYSA-N 1 0 319.405 0.921 40 0 DCABRO O[C@@H]1[C@@H](n2ccnc2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccccc1F ZINC000952844999 768910121 /nfs/dbraw/zinc/91/01/21/768910121.db2.gz YAJSJIMRDNGAHU-DGXTUMSLSA-N 1 0 319.336 0.838 40 0 biogenic,in-vitro DCABRO C[NH+](C)CCOCc1ncn2c1CN(S(C)(=O)=O)CCC2 ZINC000096085055 282109263 /nfs/dbraw/zinc/10/92/63/282109263.db2.gz LTSGRISSRATLPN-UHFFFAOYSA-N 1 0 316.427 0.127 40 0 DCABRO CN(C)C(=O)NC[C@@H]1CO[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]12 ZINC000306142255 231091465 /nfs/dbraw/zinc/09/14/65/231091465.db2.gz WUROSLRVFPGCPT-BPLDGKMQSA-N 1 0 304.394 0.800 40 0 DCABRO Cn1cc(CN2CCOC[C@]3(C[C@@H](C[NH+](C)C)CO3)C2)cn1 ZINC000107738564 185490879 /nfs/dbraw/zinc/49/08/79/185490879.db2.gz LJURODQWSGUGTF-HOCLYGCPSA-N 1 0 308.426 0.589 40 0 DCABRO Cc1nc(Nc2cnccn2)cc([C@@H]2CCCN2C(=O)C[NH3+])n1 ZINC000072360893 191132068 /nfs/dbraw/zinc/13/20/68/191132068.db2.gz LJWQVKYHJYEYGR-LBPRGKRZSA-N 1 0 313.365 0.941 40 0 DCABRO CC(=O)N1CCCN(c2cc([C@H]3C[NH2+]CCO3)nc(C)n2)CC1 ZINC000072387186 191145439 /nfs/dbraw/zinc/14/54/39/191145439.db2.gz BQBCFQXLFDCRMO-OAHLLOKOSA-N 1 0 319.409 0.505 40 0 DCABRO C[NH2+][C@H]1CC2(CCN(C(=O)c3cnccn3)CC2)OC[C@]1(C)O ZINC000257216029 202952335 /nfs/dbraw/zinc/95/23/35/202952335.db2.gz CSUNOUSCZFOPEP-ZFWWWQNUSA-N 1 0 320.393 0.211 40 0 DCABRO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2ccc(-n3cccn3)nc2)C1 ZINC000257305533 203029004 /nfs/dbraw/zinc/02/90/04/203029004.db2.gz SQLWANRBGFHXKP-INIZCTEOSA-N 1 0 315.377 0.406 40 0 DCABRO CN1CC[NH+]([C@H]2CCN(C(=O)c3ccccc3)CC[C@@H]2O)CC1 ZINC000257304944 203029007 /nfs/dbraw/zinc/02/90/07/203029007.db2.gz SNVFNPWKUYKCJO-IRXDYDNUSA-N 1 0 317.433 0.900 40 0 DCABRO CNC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2ccn(C)n2)c1 ZINC000257330321 203053820 /nfs/dbraw/zinc/05/38/20/203053820.db2.gz XNWIMUYYXPEHBL-MRXNPFEDSA-N 1 0 313.405 0.926 40 0 DCABRO O=C(N[C@@H]1C[N@H+](C2CCCCCC2)C[C@H]1O)c1cnccn1 ZINC000257332986 203054917 /nfs/dbraw/zinc/05/49/17/203054917.db2.gz XZOCAZURJHJIIH-HUUCEWRRSA-N 1 0 304.394 0.974 40 0 DCABRO CC(=O)N1[C@H]2CC[N@H+](Cc3[nH]cnc3C)C[C@@H]2C[C@]1(C)CO ZINC000257338343 203059964 /nfs/dbraw/zinc/05/99/64/203059964.db2.gz YWYOYFGLKDCWJB-CWRNSKLLSA-N 1 0 306.410 0.912 40 0 DCABRO COCCN1CCCc2sc(C(=O)NCC[NH+](C)C)nc21 ZINC000096146822 193552009 /nfs/dbraw/zinc/55/20/09/193552009.db2.gz CNPVZPVSQPPBMO-UHFFFAOYSA-N 1 0 312.439 0.834 40 0 DCABRO CC(C)C(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2nccnc21 ZINC000019086195 182104524 /nfs/dbraw/zinc/10/45/24/182104524.db2.gz UVUZIBATMYBCRO-LLVKDONJSA-N 1 0 302.382 0.675 40 0 DCABRO CC(C)c1ccc(S(=O)(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000019680850 182135806 /nfs/dbraw/zinc/13/58/06/182135806.db2.gz WFTIOADHTJHKQB-UHFFFAOYSA-N 1 0 311.451 0.994 40 0 DCABRO CN1C[C@@]2(CC1=O)C[NH2+]CCN(C(=O)Nc1ccccc1)C2 ZINC000105040407 194066637 /nfs/dbraw/zinc/06/66/37/194066637.db2.gz DIZQCQZXMSVNIH-MRXNPFEDSA-N 1 0 302.378 0.972 40 0 DCABRO COCC(=O)NCc1cnc2cc(C)nn2c1[C@H]1CCC[NH2+]1 ZINC000257244467 284784161 /nfs/dbraw/zinc/78/41/61/284784161.db2.gz ILLMYGDZGHJRHC-GFCCVEGCSA-N 1 0 303.366 0.725 40 0 DCABRO COCCC(=O)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257284239 256621016 /nfs/dbraw/zinc/62/10/16/256621016.db2.gz PBVQBAIYKGUAFF-CYBMUJFWSA-N 1 0 306.353 0.717 40 0 DCABRO CS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(N)C[NH3+] ZINC000218192919 257130338 /nfs/dbraw/zinc/13/03/38/257130338.db2.gz VXDGQQJHJDKERH-MXWKQRLJSA-N 1 0 319.224 0.616 40 0 DCABRO O=C(NCCC[NH2+][C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000217345099 257132652 /nfs/dbraw/zinc/13/26/52/257132652.db2.gz ADOOGJKDKSFSRL-ZDUSSCGKSA-N 1 0 302.440 0.850 40 0 DCABRO C[NH+](C)CCCNC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000013688958 395688821 /nfs/dbraw/zinc/68/88/21/395688821.db2.gz CDVPBESQDCHOKZ-BETUJISGSA-N 1 0 307.394 0.396 40 0 DCABRO C[NH+]1CCC2(CC1)C(=O)N(NC(N)=O)C(=O)[C@H]2c1ccccc1 ZINC000005954618 395682876 /nfs/dbraw/zinc/68/28/76/395682876.db2.gz GOUUWWGKEDNESJ-GFCCVEGCSA-N 1 0 316.361 0.434 40 0 DCABRO Cn1cc(C(=O)N[C@H]2C[N@H+](CC3CC3)[C@@H]3CCCO[C@@H]32)cn1 ZINC000096186878 395747817 /nfs/dbraw/zinc/74/78/17/395747817.db2.gz JIBPPXJPPUBXQQ-RRFJBIMHSA-N 1 0 304.394 0.792 40 0 DCABRO Cn1cc(-c2nnn3c2CO[C@@H](C[NH2+]Cc2ccco2)C3)cn1 ZINC000096061004 395741928 /nfs/dbraw/zinc/74/19/28/395741928.db2.gz VGXCPMCCOGLPOX-ZDUSSCGKSA-N 1 0 314.349 0.960 40 0 DCABRO Cn1cc(C[N@@H+]2C[C@@H]3COC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)cn1 ZINC000096064493 395742704 /nfs/dbraw/zinc/74/27/04/395742704.db2.gz JKKJDTFQLSTFDW-RBSFLKMASA-N 1 0 320.393 0.278 40 0 DCABRO COCC(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1cccnc1)C2 ZINC000096108399 395745080 /nfs/dbraw/zinc/74/50/80/395745080.db2.gz HJMPLSVDLVEILJ-ZBFHGGJFSA-N 1 0 305.378 0.293 40 0 DCABRO CN(C)C(=O)C[N@@H+]1CC[C@@H](OCC2CC2)[C@@H]1Cc1cnn(C)c1 ZINC000096200270 395748927 /nfs/dbraw/zinc/74/89/27/395748927.db2.gz JSSMAJRVGVTMKZ-JKSUJKDBSA-N 1 0 320.437 0.920 40 0 DCABRO O=C([C@H]1CO[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]12)N1CCCO1 ZINC000096219444 395749885 /nfs/dbraw/zinc/74/98/85/395749885.db2.gz SESTXWQARJOOQB-QLFBSQMISA-N 1 0 303.362 0.692 40 0 DCABRO COCCNC(=O)C[C@@H]1C[C@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]2O1 ZINC000096219619 395750113 /nfs/dbraw/zinc/75/01/13/395750113.db2.gz CKTCBJPJTDVGQX-SOUVJXGZSA-N 1 0 322.409 0.162 40 0 DCABRO C[NH+](C)CC(=O)N1CCn2c(COc3ccccn3)nnc2C1 ZINC000096259042 395751828 /nfs/dbraw/zinc/75/18/28/395751828.db2.gz UZENSYCUOVICTP-UHFFFAOYSA-N 1 0 316.365 0.156 40 0 DCABRO OC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)[C@H](O)[C@@H]1O ZINC000225502936 395861764 /nfs/dbraw/zinc/86/17/64/395861764.db2.gz UXDKQLZPANZOQB-JHEVNIALSA-N 1 0 321.295 0.777 40 0 biogenic,in-vitro DCABRO C[NH2+][C@H]1CC2(CCN(C(=O)c3cccnn3)CC2)OC[C@]1(C)O ZINC000257221682 396040150 /nfs/dbraw/zinc/04/01/50/396040150.db2.gz DQCBZESIUGVQHF-ZFWWWQNUSA-N 1 0 320.393 0.211 40 0 DCABRO C[NH+](C)[C@@H]1CN(C(=O)CCn2cnc3ccccc32)C[C@H]1O ZINC000257223609 396040175 /nfs/dbraw/zinc/04/01/75/396040175.db2.gz DYCOBNRHHTZVOI-HUUCEWRRSA-N 1 0 302.378 0.560 40 0 DCABRO CC(C)n1nccc1CN1CC[N@H+](C)C[C@@H](C(=O)N(C)C)C1 ZINC000257225279 396040255 /nfs/dbraw/zinc/04/02/55/396040255.db2.gz FFOMPIXBONROSB-CQSZACIVSA-N 1 0 307.442 0.916 40 0 DCABRO [NH3+]CCC(=O)NC[C@]1(O)CCN(c2ccnc3ccncc32)C1 ZINC000257227808 396040889 /nfs/dbraw/zinc/04/08/89/396040889.db2.gz FQZLGTAWDCXDDQ-MRXNPFEDSA-N 1 0 315.377 0.036 40 0 DCABRO OC1(C[N@@H+]2CCOC[C@H]2CCc2cnccn2)CCOCC1 ZINC000257266244 396045568 /nfs/dbraw/zinc/04/55/68/396045568.db2.gz MCCQRQSQBQGGGW-OAHLLOKOSA-N 1 0 307.394 0.652 40 0 DCABRO O=C(NC[C@H]1OC[C@@H]([NH2+]CC2CC2)[C@@H]1O)c1ccc(F)cc1 ZINC000077264398 396216165 /nfs/dbraw/zinc/21/61/65/396216165.db2.gz UKTFRZRYBBRFKG-KFWWJZLASA-N 1 0 308.353 0.683 40 0 biogenic,in-vitro DCABRO O=C(NC1CC1)c1nnc2n1C[C@H]1C[N@@H+](CC3CC3)C[C@@H]1C2 ZINC000306135186 396754243 /nfs/dbraw/zinc/75/42/43/396754243.db2.gz OKIYDJSPPXJWJL-NWDGAFQWSA-N 1 0 301.394 0.684 40 0 DCABRO CN(C)C(=O)COC[C@@H]1C[N@@H+](C2CCC2)Cc2ncn(C)c21 ZINC000096044888 415570553 /nfs/dbraw/zinc/57/05/53/415570553.db2.gz XIHNKYONCAVIIT-LBPRGKRZSA-N 1 0 306.410 0.977 40 0 DCABRO CCN1C[C@]2(CC1=O)CN(C(=O)N(C)C)CC[N@H+](CC1CC1)C2 ZINC000096036236 415573148 /nfs/dbraw/zinc/57/31/48/415573148.db2.gz BOGAZACDONXBEE-QGZVFWFLSA-N 1 0 322.453 0.934 40 0 DCABRO O=C([C@H]1COC[C@H]2C[N@H+](Cc3ccco3)C[C@H]21)N1CCOCC1 ZINC000096040715 415573292 /nfs/dbraw/zinc/57/32/92/415573292.db2.gz KWRUUGWVWPPJQM-BMFZPTHFSA-N 1 0 320.389 0.833 40 0 DCABRO CC(=O)NCC(=O)N1Cc2nccn2C[C@@H](C[NH+]2CCCC2)C1 ZINC000096188393 415577953 /nfs/dbraw/zinc/57/79/53/415577953.db2.gz KVYHIPJODYOHDS-CQSZACIVSA-N 1 0 319.409 0.073 40 0 DCABRO O=C(NC1CC1)c1nnc2n1C[C@@H]1C[N@@H+](CC3CC3)C[C@@H]1C2 ZINC000306135187 416104282 /nfs/dbraw/zinc/10/42/82/416104282.db2.gz OKIYDJSPPXJWJL-RYUDHWBXSA-N 1 0 301.394 0.684 40 0 DCABRO C[NH+](C)[C@@H]1CN(C(=O)CCN2CCc3ccccc32)C[C@H]1O ZINC000257271281 416334872 /nfs/dbraw/zinc/33/48/72/416334872.db2.gz MXRDAKIVIGDJKL-HZPDHXFCSA-N 1 0 303.406 0.573 40 0 DCABRO COc1cc(CCC(=O)N[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)on1 ZINC000257271985 416335179 /nfs/dbraw/zinc/33/51/79/416335179.db2.gz NAPSMYIDSXPYPD-XJKCOSOUSA-N 1 0 323.393 0.720 40 0 DCABRO Cc1ccc(OCC(=O)N2CC3(C2)C[C@@H](CO)C[N@H+]3C)cc1 ZINC000585093983 416518099 /nfs/dbraw/zinc/51/80/99/416518099.db2.gz WDVZPZOWLDFTIM-CQSZACIVSA-N 1 0 304.390 0.899 40 0 DCABRO COCCC(=O)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257284240 277201995 /nfs/dbraw/zinc/20/19/95/277201995.db2.gz PBVQBAIYKGUAFF-ZDUSSCGKSA-N 1 0 306.353 0.717 40 0 DCABRO CN(C)C(=O)[C@@H]1C[N@H+](C)C[C@]12CCc1ccccc1C(=O)N2 ZINC000019587065 289007584 /nfs/dbraw/zinc/00/75/84/289007584.db2.gz PVYVZMLBQPEDLW-WMLDXEAASA-N 1 0 301.390 0.751 40 0 DCABRO NC(=O)C[C@H]1CC[C@@H](C[NH3+])N1C(=O)c1n[nH]c2c1CCCCC2 ZINC000257320502 295258555 /nfs/dbraw/zinc/25/85/55/295258555.db2.gz VXCVNNNWVXZSGI-MNOVXSKESA-N 1 0 319.409 0.486 40 0 DCABRO COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H]([C@@H]2O)[N@@H+](C)CC[C@]314 ZINC000001691669 295278558 /nfs/dbraw/zinc/27/85/58/295278558.db2.gz ZDGQZOCAKDGPRA-DORTWPHOSA-N 1 0 315.369 0.992 40 0 DCABRO O=C1NC(=O)[C@@H]2[C@@H]1[C@H]1CCCC[N@@H+]1[C@]21C(=O)Nc2ccccc21 ZINC000103020874 1176021557 /nfs/dbraw/zinc/02/15/57/1176021557.db2.gz RIMRKBFTWVRAFJ-XREXNNHRSA-N 1 0 311.341 0.591 40 0 DCABRO CC(C)C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cc(Cl)cn2)[C@H]1O ZINC000952844644 768908526 /nfs/dbraw/zinc/90/85/26/768908526.db2.gz DTYDRJMQLRNWJP-NJMOYASZSA-N 1 0 301.774 0.808 40 0 biogenic,in-vitro DCABRO C[NH+](C)[C@@H]1[C@@H](O)CO[C@@H]1Cn1cc(-c2cccc(F)c2)nn1 ZINC001549160465 1014157609 /nfs/dbraw/zinc/15/76/09/1014157609.db2.gz DHXHIQQTRXWYLN-RRFJBIMHSA-N 1 0 306.341 0.774 40 0 DCABRO Cn1cc(C[N@@H+]2C[C@H]3OC[C@H](CNc4ncccn4)[C@H]3C2)cn1 ZINC000306132089 231088389 /nfs/dbraw/zinc/08/83/89/231088389.db2.gz KYCSKEBDUIIIEE-RRFJBIMHSA-N 1 0 314.393 0.769 40 0 DCABRO CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CCC3)[C@@H](O)[C@H]2O1 ZINC000225511963 201722268 /nfs/dbraw/zinc/72/22/68/201722268.db2.gz PBVCLGWERKETMR-HGYYMRRCSA-N 1 0 312.410 0.329 40 0 biogenic,in-vitro DCABRO CN(CCO)C(=O)CCc1cnc(C2CC[NH+](C)CC2)cn1 ZINC000072366470 191136130 /nfs/dbraw/zinc/13/61/30/191136130.db2.gz RTLQFXIKAAFHBB-UHFFFAOYSA-N 1 0 306.410 0.669 40 0 DCABRO C[N@H+](CCC(=O)N1CCO[C@@](C)(C(N)=O)C1)Cc1ccccn1 ZINC000072379795 191141935 /nfs/dbraw/zinc/14/19/35/191141935.db2.gz UWMOMCRKQKBILP-MRXNPFEDSA-N 1 0 320.393 0.006 40 0 DCABRO CO[C@@H](C)[C@@](O)(C(=O)OCC1=CC[N@@H+]2CC[C@@H](O)[C@@H]12)C(C)C ZINC000004311419 181095748 /nfs/dbraw/zinc/09/57/48/181095748.db2.gz LMFKRLGHEKVMNT-ADSMDIBLSA-N 1 0 313.394 0.327 40 0 DCABRO O[C@@H]1[C@H]([NH2+]Cc2cc[nH]n2)CC[C@@H](Oc2cccc(F)c2)[C@H]1O ZINC000257331165 203054471 /nfs/dbraw/zinc/05/44/71/203054471.db2.gz XRRJBVSSVSMCAZ-KLHDSHLOSA-N 1 0 321.352 0.970 40 0 DCABRO CN(C(=O)CCCn1cncn1)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257312976 203036210 /nfs/dbraw/zinc/03/62/10/203036210.db2.gz UQMCTCYNVMEIRP-IIAWOOMASA-N 1 0 321.425 0.504 40 0 DCABRO CC(C)(C)c1cc(C(=O)N2C[C@@H](O)[C@H]([NH+]3CCCC3)C2)[nH]n1 ZINC000257343471 203065375 /nfs/dbraw/zinc/06/53/75/203065375.db2.gz ZTDTVOQIQUZMDV-CHWSQXEVSA-N 1 0 306.410 0.988 40 0 DCABRO CNC(=O)CO[C@@H]1CO[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC000096072287 193522425 /nfs/dbraw/zinc/52/24/25/193522425.db2.gz DWAMMAXUTMHNIJ-HOCLYGCPSA-N 1 0 305.378 0.578 40 0 DCABRO CCCC(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21 ZINC000019501750 182125907 /nfs/dbraw/zinc/12/59/07/182125907.db2.gz XOUHEIGROUNDFW-NSHDSACASA-N 1 0 302.382 0.820 40 0 DCABRO CCn1nccc1C(=O)N1CCC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC000019749097 182143171 /nfs/dbraw/zinc/14/31/71/182143171.db2.gz DHACBBHXCMJEMP-ZDUSSCGKSA-N 1 0 321.425 0.576 40 0 DCABRO Cc1n[nH]c(C)c1CC(=O)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257333645 256623224 /nfs/dbraw/zinc/62/32/24/256623224.db2.gz YCLKGZNIOWVHPK-INIZCTEOSA-N 1 0 306.410 0.628 40 0 DCABRO CC(=O)N1CC2(C1)C[N@H+](Cc1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514289201 257216728 /nfs/dbraw/zinc/21/67/28/257216728.db2.gz JHUMKAHEJYVINU-IAGOWNOFSA-N 1 0 315.417 0.538 40 0 biogenic,in-vitro DCABRO COc1ccc(CCNC(=O)C(=O)NCCC[NH+](C)C)cc1 ZINC000170341225 257216934 /nfs/dbraw/zinc/21/69/34/257216934.db2.gz VTZPDVCGRFFOGW-UHFFFAOYSA-N 1 0 307.394 0.422 40 0 DCABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc(N2CCOCC2)nc1 ZINC000019575202 395691013 /nfs/dbraw/zinc/69/10/13/395691013.db2.gz MRCWZGHVMOHAFZ-ZBFHGGJFSA-N 1 0 317.437 0.982 40 0 DCABRO O=C(CN1CCN(C(=O)NC2CCCCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000035191194 395719867 /nfs/dbraw/zinc/71/98/67/395719867.db2.gz NICMVNKSTZDHFA-HNNXBMFYSA-N 1 0 322.453 0.967 40 0 DCABRO Cn1cc(C[N@H+]2C[C@H]3CN(C(=O)c4cnccn4)C[C@H]3C2)cn1 ZINC000096182293 395747194 /nfs/dbraw/zinc/74/71/94/395747194.db2.gz SHXWIHZEXYXNLI-OKILXGFUSA-N 1 0 312.377 0.414 40 0 DCABRO O=C(N[C@@H]1C[N@H+](C[C@H]2CCOC2)[C@@H]2CCCO[C@H]12)c1ccno1 ZINC000096185948 395748055 /nfs/dbraw/zinc/74/80/55/395748055.db2.gz UPZYMIGPFFCLMH-RGCMKSIDSA-N 1 0 321.377 0.673 40 0 DCABRO c1ncn(Cc2cnc3n2CC[N@@H+](Cc2ccncc2)CC3)n1 ZINC000096196990 395748485 /nfs/dbraw/zinc/74/84/85/395748485.db2.gz DOFHTFPXLXRNJZ-UHFFFAOYSA-N 1 0 309.377 0.976 40 0 DCABRO COCC[N@@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1cnn(C)c1)CC[C@@H]2OC ZINC000096111069 395744745 /nfs/dbraw/zinc/74/47/45/395744745.db2.gz GARURFQYOYLGHD-ZNMIVQPWSA-N 1 0 322.409 0.228 40 0 DCABRO Cc1ccc(NC[C@H]2CO[C@@]3(C2)COCC[N@H+](CCO)C3)nn1 ZINC000096240691 395750980 /nfs/dbraw/zinc/75/09/80/395750980.db2.gz SDAJCNAJIIEZFT-GOEBONIOSA-N 1 0 322.409 0.297 40 0 DCABRO CNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)c3cccnc3)C[C@H]2C1 ZINC000096246112 395751488 /nfs/dbraw/zinc/75/14/88/395751488.db2.gz FBLRXDBECHYOTN-UONOGXRCSA-N 1 0 302.378 0.222 40 0 DCABRO CC(=O)N[C@H]1CCCN(C(=O)CN2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000245399127 395928122 /nfs/dbraw/zinc/92/81/22/395928122.db2.gz VSXCBFZUXDQQGI-JKSUJKDBSA-N 1 0 322.453 0.284 40 0 DCABRO O=S(=O)(c1cccs1)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257214376 396038258 /nfs/dbraw/zinc/03/82/58/396038258.db2.gz CLTGUVVSGIKJTI-ZDUSSCGKSA-N 1 0 316.448 0.969 40 0 DCABRO C[NH2+][C@H]1CC2(CCN(C(=O)c3cccnc3)CC2)OC[C@]1(C)O ZINC000257248691 396043502 /nfs/dbraw/zinc/04/35/02/396043502.db2.gz JEUBEBOJXCMPBF-HOCLYGCPSA-N 1 0 319.405 0.816 40 0 DCABRO Cc1noc(C)c1CCC(=O)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257261471 396044442 /nfs/dbraw/zinc/04/44/42/396044442.db2.gz LHLMRPDBJFBXNP-HUUCEWRRSA-N 1 0 307.394 0.892 40 0 DCABRO CNC(=O)[C@H]1CN(C(=O)c2ccc(OC)c(F)c2)CC[N@H+](C)C1 ZINC000257259231 396044524 /nfs/dbraw/zinc/04/45/24/396044524.db2.gz KXKSMYPSRYFETN-GFCCVEGCSA-N 1 0 323.368 0.584 40 0 DCABRO Cn1cc(/C=C/C(=O)N[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)cn1 ZINC000585290967 396648559 /nfs/dbraw/zinc/64/85/59/396648559.db2.gz YMGZGGUINAHFRA-CUBFUVFKSA-N 1 0 304.394 0.537 40 0 DCABRO CN(C)C(=O)C[N@@H+]1CCC[C@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099661 396639275 /nfs/dbraw/zinc/63/92/75/396639275.db2.gz VDBWXSJNZNAZQQ-OAHLLOKOSA-N 1 0 322.434 0.656 40 0 DCABRO COC[C@H]1CC2(C[N@@H+]1C)CCN(C(=O)c1ncn(C)n1)CC2 ZINC000585103291 396639369 /nfs/dbraw/zinc/63/93/69/396639369.db2.gz BHOMJLQTWVJJAC-GFCCVEGCSA-N 1 0 307.398 0.388 40 0 DCABRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@@H](Oc1cnccn1)CCO2 ZINC000575403557 397312232 /nfs/dbraw/zinc/31/22/32/397312232.db2.gz GSZZPFBXRFQHQH-ZDUSSCGKSA-N 1 0 320.393 0.567 40 0 DCABRO COCCNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccncc1)C2 ZINC000096038701 415570590 /nfs/dbraw/zinc/57/05/90/415570590.db2.gz SDYQTTVDKUGQNL-NVXWUHKLSA-N 1 0 319.405 0.825 40 0 DCABRO C(C1CCOCC1)[N@@H+]1C[C@H](N2CCOCC2)[C@@H]2OCCC[C@@H]21 ZINC000096056329 415576916 /nfs/dbraw/zinc/57/69/16/415576916.db2.gz DSADSNNRQUUACL-YESZJQIVSA-N 1 0 310.438 0.977 40 0 DCABRO Cc1cnc(N2CCOC[C@]3(CCN(CC[NH+](C)C)C3)C2)nc1 ZINC000096070353 415577206 /nfs/dbraw/zinc/57/72/06/415577206.db2.gz OOVFKKXGFYNSAN-KRWDZBQOSA-N 1 0 319.453 0.875 40 0 DCABRO C[NH+](C)[C@@H]1CN(C(=O)CCn2ncc3ccccc32)C[C@H]1O ZINC000257284315 416335024 /nfs/dbraw/zinc/33/50/24/416335024.db2.gz PCFCDJDRICVURJ-HUUCEWRRSA-N 1 0 302.378 0.560 40 0 DCABRO CN(C)C(=O)[C@H]1CN(C)CCN1C(=O)CCc1ccccc1 ZINC000257241874 416335092 /nfs/dbraw/zinc/33/50/92/416335092.db2.gz HZZQPLOWKITOCT-OAHLLOKOSA-N 1 0 303.406 0.850 40 0 DCABRO CNC(=O)[C@@H]1CN(C(=O)c2noc3c2CCCC3)CC[N@H+](C)C1 ZINC000257344352 416335221 /nfs/dbraw/zinc/33/52/21/416335221.db2.gz ZWVMZHNMURNDPT-NSHDSACASA-N 1 0 320.393 0.303 40 0 DCABRO O=CNc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000363301616 262110689 /nfs/dbraw/zinc/11/06/89/262110689.db2.gz APBUWCWQCSZYJV-HOTGVXAUSA-N 1 0 317.389 0.926 40 0 DCABRO COCC[N@@H+]1CC[C@@]2(C1)COCCN(Cc1cnn(C)c1)C2 ZINC000096062296 277226285 /nfs/dbraw/zinc/22/62/85/277226285.db2.gz LROAZFVIKLMTLN-INIZCTEOSA-N 1 0 308.426 0.591 40 0 DCABRO Cn1cccc1C(=O)N1CCOC[C@@]2(CC[C@H](C[NH+](C)C)O2)C1 ZINC000248129756 289213479 /nfs/dbraw/zinc/21/34/79/289213479.db2.gz PXYUDLQUTHLORH-RHSMWYFYSA-N 1 0 321.421 0.977 40 0 DCABRO C[NH+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@H]1CCCO1)CCC2 ZINC000096044215 289223264 /nfs/dbraw/zinc/22/32/64/289223264.db2.gz OGDSCBMPSHWUIH-CYBMUJFWSA-N 1 0 320.393 0.216 40 0 DCABRO Cc1cc(C)n([C@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH2+]C3CCOCC3)[C@@H]2O)n1 ZINC000952844601 768908717 /nfs/dbraw/zinc/90/87/17/768908717.db2.gz ANDZHHXMVXHKQX-DGXTUMSLSA-N 1 0 323.393 0.294 40 0 biogenic,in-vitro DCABRO O[C@@H]1[C@@H](n2ccnc2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccncc1F ZINC000952844922 768910242 /nfs/dbraw/zinc/91/02/42/768910242.db2.gz TYHDEJUBDNANLI-ARILJUKYSA-N 1 0 320.324 0.233 40 0 biogenic,in-vitro DCABRO C[N@@H+]1[C@@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H]3CCCO3)CC[C@@H]21 ZINC000306135988 529831354 /nfs/dbraw/zinc/83/13/54/529831354.db2.gz PFTYMSKWFCUJHT-LVQVYYBASA-N 1 0 318.421 0.983 40 0 DCABRO C[N@H+](CCC(=O)N1CCO[C@](C)(C(N)=O)C1)Cc1cccnc1 ZINC000072379794 191142739 /nfs/dbraw/zinc/14/27/39/191142739.db2.gz BCQFLNOHKQDTKB-INIZCTEOSA-N 1 0 320.393 0.006 40 0 DCABRO Cc1nc(C(=O)N2CCN(C)CC2)cc(C2CC[NH+](C)CC2)n1 ZINC000072382859 191142806 /nfs/dbraw/zinc/14/28/06/191142806.db2.gz XTZFHSIFHJVGGA-UHFFFAOYSA-N 1 0 317.437 0.982 40 0 DCABRO NC(=O)[C@@H]([NH3+])CCC[C@H]1NC(=S)N(c2ccccc2)C1=O ZINC000006575387 181356009 /nfs/dbraw/zinc/35/60/09/181356009.db2.gz XZPWKRZDRFWUGL-WDEREUQCSA-N 1 0 306.391 0.259 40 0 DCABRO CN1CCN(C(=O)c2cncc([C@H]3CCC[N@H+](C)C3)n2)CC1 ZINC000257275277 203003649 /nfs/dbraw/zinc/00/36/49/203003649.db2.gz NOQVLLCMVZPAJR-ZDUSSCGKSA-N 1 0 303.410 0.673 40 0 DCABRO Cc1n[nH]c(C)c1CCC(=O)N1[C@@H](CC(N)=O)CC[C@H]1C[NH3+] ZINC000257300052 203026348 /nfs/dbraw/zinc/02/63/48/203026348.db2.gz RSRYYZZVYLNTRG-NEPJUHHUSA-N 1 0 307.398 0.153 40 0 DCABRO Cc1nccnc1CC[C@H]1COCCN1C(=O)C1CC[NH2+]CC1 ZINC000257305114 203029553 /nfs/dbraw/zinc/02/95/53/203029553.db2.gz SOMNGJKVOSOVRZ-HNNXBMFYSA-N 1 0 318.421 0.945 40 0 DCABRO O=C(NCCO)c1sc2ncccc2c1[C@@H]1C[NH2+]CCO1 ZINC000257307080 203032075 /nfs/dbraw/zinc/03/20/75/203032075.db2.gz SXDANQORTBPZQZ-JTQLQIEISA-N 1 0 307.375 0.679 40 0 DCABRO Cn1nc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)cc1C(F)(F)F ZINC000257310145 203034226 /nfs/dbraw/zinc/03/42/26/203034226.db2.gz UDVQKERCHAJJPI-LBPRGKRZSA-N 1 0 320.315 0.578 40 0 DCABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CC[C@@H](CN(C(=O)c1ncc[nH]1)C2)[C@H]3O ZINC000257317952 203043210 /nfs/dbraw/zinc/04/32/10/203043210.db2.gz VLWPOSSSYNIFIR-BLXSCJOCSA-N 1 0 304.394 0.715 40 0 DCABRO O=S(=O)(C1CCCCC1)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257322443 203047170 /nfs/dbraw/zinc/04/71/70/203047170.db2.gz WGABBELUINNLGG-ZIAGYGMSSA-N 1 0 302.440 0.790 40 0 DCABRO CCS(=O)(=O)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257328543 203050805 /nfs/dbraw/zinc/05/08/05/203050805.db2.gz XGDOTELOHGXQNF-LLVKDONJSA-N 1 0 312.382 0.504 40 0 DCABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)Cn1cccnc1=O)C2 ZINC000257340535 203063530 /nfs/dbraw/zinc/06/35/30/203063530.db2.gz ZGPPPVDRUYMXHR-ZJOBFFGXSA-N 1 0 316.405 0.717 40 0 DCABRO CNC(=O)[C@H]1CN(C(=O)c2ccc3c(c2)CCC3)CC[N@H+](C)C1 ZINC000257344841 203066296 /nfs/dbraw/zinc/06/62/96/203066296.db2.gz ZYVFADQNLDNSJS-MRXNPFEDSA-N 1 0 315.417 0.925 40 0 DCABRO COCCOc1ccc(C(=O)N[C@@H]2C[NH2+]CCC[C@H]2O)cc1 ZINC000015672201 182011938 /nfs/dbraw/zinc/01/19/38/182011938.db2.gz BXECYFNJUFEHAP-HUUCEWRRSA-N 1 0 308.378 0.555 40 0 biogenic,in-vitro DCABRO CN1CC[NH+](C[C@H](O)COCCOc2ccc(F)cc2)CC1 ZINC000041690239 183217701 /nfs/dbraw/zinc/21/77/01/183217701.db2.gz IKOKFYGNTCNMTL-HNNXBMFYSA-N 1 0 312.385 0.829 40 0 DCABRO COCC[N@@H+]1CC2(C[C@H]1COC)CCN(C(=O)COC)CC2 ZINC000096207476 285008927 /nfs/dbraw/zinc/00/89/27/285008927.db2.gz WCWMJOFNFVXKGS-AWEZNQCLSA-N 1 0 314.426 0.609 40 0 DCABRO CC[N@@H+]1C[C@@H]2C[C@@H](O)CN2C2(CN(C(=O)c3ccccc3)C2)C1 ZINC000514290303 257215023 /nfs/dbraw/zinc/21/50/23/257215023.db2.gz WQKYSDLFBHNGFK-JKSUJKDBSA-N 1 0 315.417 0.652 40 0 biogenic,in-vitro DCABRO O=C(C[NH2+]CCN1CCOCC1)Nc1ccc2c(c1)OCO2 ZINC000035311461 395720322 /nfs/dbraw/zinc/72/03/22/395720322.db2.gz MFZYJVKEPLWWQQ-UHFFFAOYSA-N 1 0 307.350 0.276 40 0 DCABRO O=C(c1cnc2sccn2c1=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000028232883 395695956 /nfs/dbraw/zinc/69/59/56/395695956.db2.gz ITDDXYYHEOOJKR-JTQLQIEISA-N 1 0 304.375 0.676 40 0 DCABRO c1cnc(N2CCOC3(CC[NH+]([C@H]4CCOC4)CC3)C2)nc1 ZINC000096159051 395746832 /nfs/dbraw/zinc/74/68/32/395746832.db2.gz VVAWVFMZSWJLHN-AWEZNQCLSA-N 1 0 304.394 0.937 40 0 DCABRO O=C(c1ccnnc1)N1CC[N@@H+]2C[C@H](OCC3CC3)C[C@H]2C1 ZINC000096183316 395747104 /nfs/dbraw/zinc/74/71/04/395747104.db2.gz OZGIEAXOAZVJBL-LSDHHAIUSA-N 1 0 302.378 0.802 40 0 DCABRO C[NH+](C)CC(=O)N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000096187176 395747727 /nfs/dbraw/zinc/74/77/27/395747727.db2.gz PXHXVJFAEFVMBD-VYDXJSESSA-N 1 0 319.405 0.918 40 0 DCABRO C[N@@H+]1[C@@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]3CCOC3)CC[C@@H]21 ZINC000096185680 395748081 /nfs/dbraw/zinc/74/80/81/395748081.db2.gz GMXXYJNEEXQEOB-FPCVCCKLSA-N 1 0 318.421 0.841 40 0 DCABRO Cn1cc(N2C[C@]3(COCC[N@H+](CC4CC4)C3)OCC2=O)cn1 ZINC000096051442 395741334 /nfs/dbraw/zinc/74/13/34/395741334.db2.gz DWOYFQLXTFFMGT-MRXNPFEDSA-N 1 0 320.393 0.264 40 0 DCABRO Cn1cc(CN2CCOC[C@]3(C[C@H](C[NH+](C)C)CO3)C2)cn1 ZINC000096051927 395741435 /nfs/dbraw/zinc/74/14/35/395741435.db2.gz LJURODQWSGUGTF-ZBFHGGJFSA-N 1 0 308.426 0.589 40 0 DCABRO CNC(=O)CO[C@@H]1COC2(C1)CC[NH+](Cc1[nH]cnc1C)CC2 ZINC000096073120 395743246 /nfs/dbraw/zinc/74/32/46/395743246.db2.gz QREXWGFQDQDOAE-ZDUSSCGKSA-N 1 0 322.409 0.604 40 0 DCABRO CC[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3cn(C)cn3)C2)C1 ZINC000096076505 395743545 /nfs/dbraw/zinc/74/35/45/395743545.db2.gz PZRUSQLLRPCKLQ-MRXNPFEDSA-N 1 0 306.410 0.995 40 0 DCABRO Cc1nn(C)cc1C(=O)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257200163 396036002 /nfs/dbraw/zinc/03/60/02/396036002.db2.gz ACFSLSBZXVZXDG-RBSFLKMASA-N 1 0 306.410 0.836 40 0 DCABRO Cc1cc(N(C)C)nc([C@H]2COCCN2C(=O)C[NH+](C)C)n1 ZINC000257230371 396040879 /nfs/dbraw/zinc/04/08/79/396040879.db2.gz GCAJVRJPLFPESW-GFCCVEGCSA-N 1 0 307.398 0.313 40 0 DCABRO Cc1c(CCC(=O)N2CC[C@@](O)(C[NH+]3CCCC3)C2)cnn1C ZINC000257230829 396040898 /nfs/dbraw/zinc/04/08/98/396040898.db2.gz GECGYEVTNQXCSU-QGZVFWFLSA-N 1 0 320.437 0.720 40 0 DCABRO O=C(c1cnc(C2CC2)nc1)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257250387 396043736 /nfs/dbraw/zinc/04/37/36/396043736.db2.gz JMIMGNBEKKVKQS-ZIAGYGMSSA-N 1 0 302.378 0.635 40 0 DCABRO O=C1NCCN1CC[NH2+][C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585289425 396647305 /nfs/dbraw/zinc/64/73/05/396647305.db2.gz JKULOIARCQGDGP-ARFHVFGLSA-N 1 0 319.405 0.962 40 0 DCABRO COc1cc2c(cc1C[N@H+]1[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1C)CCCC2 ZINC000585295340 396648405 /nfs/dbraw/zinc/64/84/05/396648405.db2.gz VUJVLLVBEQKXLE-PHTTXTFCSA-N 1 0 321.417 0.861 40 0 DCABRO O=C1CO[C@H]2C[N@@H+](C3CCOCC3)C[C@H]2N1Cc1ccccn1 ZINC000067897161 415389108 /nfs/dbraw/zinc/38/91/08/415389108.db2.gz ATZNOAVVBJACSG-CVEARBPZSA-N 1 0 317.389 0.672 40 0 biogenic,in-vitro DCABRO O=C([C@@H]1COC[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21)N1CCCO1 ZINC000096038649 415571231 /nfs/dbraw/zinc/57/12/31/415571231.db2.gz PEHUHOJMVQTNBU-BZUAXINKSA-N 1 0 317.389 0.940 40 0 DCABRO COC[C@H]1CNC(=O)[C@@H]2CC[N@H+](Cc3cnn(C)c3)CC[C@H]12 ZINC000096041102 415572766 /nfs/dbraw/zinc/57/27/66/415572766.db2.gz XCZHNUGMDLIFMR-RBSFLKMASA-N 1 0 306.410 0.641 40 0 DCABRO C([C@@H]1CCCO1)N1CCO[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21 ZINC000096054352 415576681 /nfs/dbraw/zinc/57/66/81/415576681.db2.gz MFQOTAOBRCQAAJ-BBWFWOEESA-N 1 0 310.438 0.977 40 0 DCABRO Cn1nnc2c1[C@@H](COCC[NH+](C)C)CN(C(=O)CC1CC1)C2 ZINC000096045460 415576931 /nfs/dbraw/zinc/57/69/31/415576931.db2.gz CFWGROHUAIYUJX-CYBMUJFWSA-N 1 0 321.425 0.619 40 0 DCABRO C[NH+](C)Cc1cnn(-c2ccccc2C(=O)NCC(N)=O)c1 ZINC000257227389 416334903 /nfs/dbraw/zinc/33/49/03/416334903.db2.gz FPBCVZWINBPZGM-UHFFFAOYSA-N 1 0 301.350 0.149 40 0 DCABRO CN(C[C@]1(O)CCCN(c2ccccn2)C1)C(=O)c1cc[nH]n1 ZINC000257218927 416335180 /nfs/dbraw/zinc/33/51/80/416335180.db2.gz DEVXBRTZEQLMIH-MRXNPFEDSA-N 1 0 315.377 0.908 40 0 DCABRO O=S1(=O)C[C@H](O)[C@H](NCC[NH2+]Cc2cccc(Cl)c2)C1 ZINC000575421406 417534811 /nfs/dbraw/zinc/53/48/11/417534811.db2.gz QKOUQXKPYZDAAX-OLZOCXBDSA-N 1 0 318.826 0.177 40 0 DCABRO C[N@@H+]1CCN(C(=O)c2ccc3c(c2)CCC3)C[C@@H](C(N)=O)C1 ZINC000257206163 277098301 /nfs/dbraw/zinc/09/83/01/277098301.db2.gz BCDFBHXTTHFHCG-HNNXBMFYSA-N 1 0 301.390 0.664 40 0 DCABRO COCCC(=O)N1CCN(CC[NH+](C)C)c2ncccc2C1 ZINC000096198840 277201797 /nfs/dbraw/zinc/20/17/97/277201797.db2.gz BKKNJSDLDZHOHH-UHFFFAOYSA-N 1 0 306.410 0.828 40 0 DCABRO CN(C)S(=O)(=O)N1CC[C@@]2(C1)CCC[C@H](C[NH+](C)C)O2 ZINC000096208511 289211970 /nfs/dbraw/zinc/21/19/70/289211970.db2.gz LBLSBDVRVOKOHS-CHWSQXEVSA-N 1 0 305.444 0.368 40 0 DCABRO CN1C(=O)[C@@H]2[C@H](C1=O)C1(O)c3ccccc3C2([NH3+])c2ccccc21 ZINC000031818621 289857037 /nfs/dbraw/zinc/85/70/37/289857037.db2.gz ZXBWBJZXTCWRKI-WINGESFGSA-N 1 0 320.348 0.683 40 0 DCABRO CN(C)c1cn[nH+]c(N2CCN(C(=O)c3cnccn3)CC2)c1 ZINC000224310459 333408310 /nfs/dbraw/zinc/40/83/10/333408310.db2.gz DXTFABSNICGALT-UHFFFAOYSA-N 1 0 313.365 0.295 40 0 DCABRO CCOc1ccc(CNC(=O)C(=O)NCCC[NH+](C)C)cc1 ZINC000408706719 528437937 /nfs/dbraw/zinc/43/79/37/528437937.db2.gz DECYNUKLDLZAOL-UHFFFAOYSA-N 1 0 307.394 0.769 40 0 DCABRO O[C@@H]1[C@@H](n2ccnc2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1cccnc1 ZINC000952844907 768909942 /nfs/dbraw/zinc/90/99/42/768909942.db2.gz SCBNAPCEARDTEE-ARILJUKYSA-N 1 0 302.334 0.094 40 0 biogenic,in-vitro DCABRO C[N@@H+]1CC[C@]2(CCn3c2nn(Cc2cccs2)c(=O)c3=O)C1 ZINC000306135859 529811949 /nfs/dbraw/zinc/81/19/49/529811949.db2.gz PDGYDSHBNLAFEY-HNNXBMFYSA-N 1 0 318.402 0.492 40 0 DCABRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN1CC[NH2+]CC1 ZINC000036138902 190663254 /nfs/dbraw/zinc/66/32/54/190663254.db2.gz NDFNMZNUZCXDAG-CYBMUJFWSA-N 1 0 312.439 0.265 40 0 DCABRO C[NH2+]CC(=O)N1CCC[C@H]1c1cncc(CCC(=O)N(C)C)n1 ZINC000072367003 191137846 /nfs/dbraw/zinc/13/78/46/191137846.db2.gz BVHYDGFGWIYKJU-AWEZNQCLSA-N 1 0 319.409 0.380 40 0 DCABRO CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1NC(=O)c1cc(CC(C)C)nn1C ZINC000257296058 203022000 /nfs/dbraw/zinc/02/20/00/203022000.db2.gz RBAZRYKNULHRDB-OLZOCXBDSA-N 1 0 321.425 0.025 40 0 DCABRO CNC(=O)c1c[nH]nc1[C@H]1CC[N@H+](Cc2c(C)cnn2C)C1 ZINC000257279739 203008017 /nfs/dbraw/zinc/00/80/17/203008017.db2.gz OHYOESNAIMBSMN-NSHDSACASA-N 1 0 302.382 0.801 40 0 DCABRO C[N@@H+]1CCN(C(=O)c2n[nH]c3ccccc32)C[C@@H](C(N)=O)C1 ZINC000257341570 203063133 /nfs/dbraw/zinc/06/31/33/203063133.db2.gz ZKXPXQREKRIMNL-JTQLQIEISA-N 1 0 301.350 0.052 40 0 DCABRO C[N@@H+]1CCN(C(=O)CCc2cc(Cl)no2)C[C@H](C(N)=O)C1 ZINC000257342398 203065430 /nfs/dbraw/zinc/06/54/30/203065430.db2.gz ZOJZSDWVFOQRNJ-SECBINFHSA-N 1 0 314.773 0.136 40 0 DCABRO C[NH+]1CCN(CCCNC(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000022829649 182335786 /nfs/dbraw/zinc/33/57/86/182335786.db2.gz BPGSCYMYKUKASJ-MRXNPFEDSA-N 1 0 319.405 0.580 40 0 DCABRO CS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@]1([NH3+])CO ZINC000252516105 257106179 /nfs/dbraw/zinc/10/61/79/257106179.db2.gz QCSIBHHRBPDCHR-GMTAPVOTSA-N 1 0 320.208 0.649 40 0 DCABRO CC[NH+](CC)C[C@@H]1OC[C@H](NC(=O)c2ccc(OC)cc2)[C@H]1O ZINC000514289569 257216114 /nfs/dbraw/zinc/21/61/14/257216114.db2.gz VILZPNUGEJOVRQ-HRCADAONSA-N 1 0 322.405 0.895 40 0 biogenic,in-vitro DCABRO CC[N@@H+]1C[C@H]2C[C@@H](O)CN2C2(CN(C(=O)c3ccccc3)C2)C1 ZINC000514290302 257215207 /nfs/dbraw/zinc/21/52/07/257215207.db2.gz WQKYSDLFBHNGFK-HZPDHXFCSA-N 1 0 315.417 0.652 40 0 biogenic,in-vitro DCABRO CC[N@@H+]1C[C@@H]2C[C@@H](O)CN2C2(CN(C(=O)c3cccnc3)C2)C1 ZINC000514289766 257215683 /nfs/dbraw/zinc/21/56/83/257215683.db2.gz OKNTVMBNAYFQMX-LSDHHAIUSA-N 1 0 316.405 0.047 40 0 biogenic,in-vitro DCABRO CC(C)(C)NC(=O)[C@@H]1C[NH2+]C[C@]12Cc1ccccc1C(=O)N2 ZINC000012219855 395687258 /nfs/dbraw/zinc/68/72/58/395687258.db2.gz AMTQGPWQSPWFLN-SUMWQHHRSA-N 1 0 301.390 0.845 40 0 DCABRO COc1ccccc1C[C@H](NC(C)=O)C(=O)N1CC[NH2+]CC1 ZINC000013997801 395688979 /nfs/dbraw/zinc/68/89/79/395688979.db2.gz XMXKPIOAWGLBMC-AWEZNQCLSA-N 1 0 305.378 0.174 40 0 DCABRO CC[NH+](CC)CCNC(=O)c1nn(C)c(=S)[nH]c1=S ZINC000033488164 395717257 /nfs/dbraw/zinc/71/72/57/395717257.db2.gz IQVGHMVTRNDWHN-UHFFFAOYSA-N 1 0 301.441 0.905 40 0 DCABRO Cn1cnc(S(=O)(=O)N2CCC3(CC([NH+](C)C)C3)CC2)c1 ZINC000096159212 395746675 /nfs/dbraw/zinc/74/66/75/395746675.db2.gz KZZJABILLBPSSX-UHFFFAOYSA-N 1 0 312.439 0.915 40 0 DCABRO C[NH+]1CCN(Cc2cn3c(n2)CN(C2CCOCC2)CC3)CC1 ZINC000096197320 395748230 /nfs/dbraw/zinc/74/82/30/395748230.db2.gz BLHGSTIBSFHUGA-UHFFFAOYSA-N 1 0 319.453 0.625 40 0 DCABRO C[NH+](C)CCOCc1nnc2n1CCN(Cc1ccco1)C2 ZINC000096084415 395743750 /nfs/dbraw/zinc/74/37/50/395743750.db2.gz YTTLTUQEKCXKFE-UHFFFAOYSA-N 1 0 305.382 0.965 40 0 DCABRO CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CC[NH2+]CC3)C1=O ZINC000096144127 395745952 /nfs/dbraw/zinc/74/59/52/395745952.db2.gz AKRCDNAKWBHOEV-INIZCTEOSA-N 1 0 308.426 0.592 40 0 DCABRO Cc1n[nH]c(C[C@@H]2OC[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@H]32)n1 ZINC000096215401 395749926 /nfs/dbraw/zinc/74/99/26/395749926.db2.gz ILZNWWACULCEKT-KFWWJZLASA-N 1 0 316.409 0.926 40 0 DCABRO CN(C)C(=O)[C@@H]1COC2(C1)CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096224872 395750480 /nfs/dbraw/zinc/75/04/80/395750480.db2.gz XWGXAXIAANBBBN-AWEZNQCLSA-N 1 0 306.410 0.879 40 0 DCABRO O=C1[C@H]2C[N@H+](CC3CCOCC3)C[C@H]2CN1c1cncnc1 ZINC000096245193 395751472 /nfs/dbraw/zinc/75/14/72/395751472.db2.gz GVKOIBCMQVTOLM-ZFWWWQNUSA-N 1 0 302.378 0.798 40 0 DCABRO C[NH+](C)CCN1C[C@@H]2CN(C(=O)c3ccsc3)C[C@@H]2C1=O ZINC000096244967 395751585 /nfs/dbraw/zinc/75/15/85/395751585.db2.gz URDVRDCUPHQOEJ-OLZOCXBDSA-N 1 0 307.419 0.840 40 0 DCABRO O=S(=O)(c1cccs1)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257214375 396037819 /nfs/dbraw/zinc/03/78/19/396037819.db2.gz CLTGUVVSGIKJTI-CYBMUJFWSA-N 1 0 316.448 0.969 40 0 DCABRO O=C(N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1O)c1cnccn1 ZINC000257215493 396038959 /nfs/dbraw/zinc/03/89/59/396038959.db2.gz CQJGXQBKSFCOCA-HUUCEWRRSA-N 1 0 304.394 0.832 40 0 DCABRO CC(=O)N1CCO[C@@](C)(C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000257246646 396042658 /nfs/dbraw/zinc/04/26/58/396042658.db2.gz IVBWXLMJEDNMRR-QGZVFWFLSA-N 1 0 323.437 0.711 40 0 DCABRO CN(C(=O)CCc1ccnn1C)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257264373 396044930 /nfs/dbraw/zinc/04/49/30/396044930.db2.gz LUCCHSGQVANVAH-BFYDXBDKSA-N 1 0 320.437 0.799 40 0 DCABRO C[NH+](C)CC(=O)N1CCO[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000585268848 396643052 /nfs/dbraw/zinc/64/30/52/396643052.db2.gz ARPOKMSCQOOGIC-INIZCTEOSA-N 1 0 310.369 0.520 40 0 DCABRO Cc1cnccc1C[N@H+]1CCOC[C@](O)(CC(=O)N(C)C)C1 ZINC000585279765 396645190 /nfs/dbraw/zinc/64/51/90/396645190.db2.gz OMSSCYOXDODPCV-INIZCTEOSA-N 1 0 307.394 0.432 40 0 DCABRO CC(=O)N(C)[C@@H]1CC[C@@H](C(=O)N2CC[NH+](C(C)C)CC2)[C@@H]1O ZINC000585281068 396645488 /nfs/dbraw/zinc/64/54/88/396645488.db2.gz SHWFGONBANDCFI-KFWWJZLASA-N 1 0 311.426 0.157 40 0 DCABRO CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCC[N@@H+]2CC(=O)N(C)C ZINC000585290836 396647322 /nfs/dbraw/zinc/64/73/22/396647322.db2.gz HLOGJZVUKASLHH-BLLLJJGKSA-N 1 0 311.426 0.613 40 0 DCABRO CC[NH+](CC)C[C@@]1(O)CCN(C(=O)Cc2ccccc2)C[C@@H]1O ZINC000585288955 396647827 /nfs/dbraw/zinc/64/78/27/396647827.db2.gz BKUDBOJBAHWGRI-WMZOPIPTSA-N 1 0 320.433 0.895 40 0 DCABRO CC(C)[NH2+]C[C@]1(O)CN(C(=O)CCc2ccccc2)C[C@H]1O ZINC000585291317 396648019 /nfs/dbraw/zinc/64/80/19/396648019.db2.gz NIPNUWACFZNFJR-WBVHZDCISA-N 1 0 306.406 0.551 40 0 DCABRO O=C(Nc1ccccc1)N1C[C@@H]2COCCN2C2(C[NH2+]C2)C1 ZINC000604381256 397639069 /nfs/dbraw/zinc/63/90/69/397639069.db2.gz GLBIRIFWQURTQM-CQSZACIVSA-N 1 0 302.378 0.577 40 0 biogenic,in-vitro DCABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1OC ZINC000298094424 415993201 /nfs/dbraw/zinc/99/32/01/415993201.db2.gz IUNJUSANADQCKX-CQSZACIVSA-N 1 0 319.405 0.912 40 0 DCABRO CC[NH+]1CCN(CC(=O)N2[C@@H]3CC[C@H]2c2snnc2C3)CC1 ZINC000019528147 276193853 /nfs/dbraw/zinc/19/38/53/276193853.db2.gz MXOJKGNCGCXTHV-YPMHNXCESA-N 1 0 321.450 0.764 40 0 DCABRO COCC[N@@H+]1CC[C@@]2(C1)COCCN(S(=O)(=O)C1CC1)C2 ZINC000096062319 277226199 /nfs/dbraw/zinc/22/61/99/277226199.db2.gz WERXIRSSMGCPHI-AWEZNQCLSA-N 1 0 318.439 0.149 40 0 DCABRO CNC(=O)[C@@H]1CN(c2ncccn2)CC[N@@H+](C2CCOCC2)C1 ZINC000257271388 517964017 /nfs/dbraw/zinc/96/40/17/517964017.db2.gz MYBLYBZDJNVION-ZDUSSCGKSA-N 1 0 319.409 0.140 40 0 DCABRO COc1cc2ncn([C@H]3[C@@H]4OC[C@@H](O4)[C@@H]([NH3+])[C@@H]3O)c2cc1OC ZINC000952844983 768909858 /nfs/dbraw/zinc/90/98/58/768909858.db2.gz XHVKJXVFLZTBJW-ARILJUKYSA-N 1 0 321.333 0.038 40 0 biogenic,in-vitro DCABRO CO[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccncc1Br ZINC001548448108 1012673164 /nfs/dbraw/zinc/67/31/64/1012673164.db2.gz LMJHZJJYXXFVSY-VHSXEESVSA-N 1 0 300.156 0.561 40 0 DCABRO COc1ccc(CN2C[C@H]3C[C@@H](O)C[N@@H+]3C[C@H]2C)cc1CO ZINC000072324811 191123084 /nfs/dbraw/zinc/12/30/84/191123084.db2.gz KINNXLJQNIFESD-DAXOMENPSA-N 1 0 306.406 0.827 40 0 DCABRO C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1cn[nH]c1 ZINC000275747013 296065244 /nfs/dbraw/zinc/06/52/44/296065244.db2.gz CRPZJXVSJJUKSN-NWDGAFQWSA-N 1 0 309.414 0.957 40 0 DCABRO Cc1nn(C)cc1S(=O)(=O)N1CC[C@H]2[NH2+]CCCC[C@H]2C1 ZINC000257204823 202942076 /nfs/dbraw/zinc/94/20/76/202942076.db2.gz AWKXMDVMVLYSIS-QWHCGFSZSA-N 1 0 312.439 0.881 40 0 DCABRO C[C@@]12C[C@H](C[NH3+])N(C(=O)c3cccnn3)[C@@H]1CCCC[C@H]2O ZINC000257227986 202961359 /nfs/dbraw/zinc/96/13/59/202961359.db2.gz FRWHFPRNPYKADN-XKVFNRALSA-N 1 0 304.394 0.960 40 0 DCABRO Cc1nn(C)cc1S(=O)(=O)N1CCCC[C@H]2C[NH2+]CC[C@H]21 ZINC000257258396 202990851 /nfs/dbraw/zinc/99/08/51/202990851.db2.gz KTRKLRRWBJGDOM-QWHCGFSZSA-N 1 0 312.439 0.881 40 0 DCABRO OCCNc1ncc(F)c(CC2CC3(C2)C[NH2+]CCOC3)n1 ZINC000257278674 203006119 /nfs/dbraw/zinc/00/61/19/203006119.db2.gz ODEIPBNKOOXFLC-UHFFFAOYSA-N 1 0 310.373 0.579 40 0 DCABRO Cc1cc(C)n(CC(=O)N2CC[C@@](O)(C[NH+]3CCCC3)C2)n1 ZINC000257277153 203005688 /nfs/dbraw/zinc/00/56/88/203005688.db2.gz NWQLBVFOGGZNKV-MRXNPFEDSA-N 1 0 306.410 0.559 40 0 DCABRO CCn1cc(-c2cncn2CC[NH2+][C@H]2CCS(=O)(=O)C2)cn1 ZINC000019719596 182138442 /nfs/dbraw/zinc/13/84/42/182138442.db2.gz LRGNQHRZDWILTF-ZDUSSCGKSA-N 1 0 323.422 0.543 40 0 DCABRO C[NH+](C)CC(=O)N1CC[C@]2(CCN(Cc3ccccn3)C2=O)C1 ZINC000096159490 395746894 /nfs/dbraw/zinc/74/68/94/395746894.db2.gz ADNRSDPGWLQKHD-QGZVFWFLSA-N 1 0 316.405 0.594 40 0 DCABRO COCC[N@@H+]1CCOC[C@]2(CCCN(Cc3cnn(C)c3)C2)C1 ZINC000096049462 395740900 /nfs/dbraw/zinc/74/09/00/395740900.db2.gz HHIFVIXGAURVJK-QGZVFWFLSA-N 1 0 322.453 0.981 40 0 DCABRO O=C(NC1CC1)[C@@H]1C[C@@H]2CCN(CC[NH+]3CCCC3)C[C@@H]2O1 ZINC000096065480 395742548 /nfs/dbraw/zinc/74/25/48/395742548.db2.gz HLVXCPQMYJCQBP-BPUTZDHNSA-N 1 0 307.438 0.840 40 0 DCABRO Cc1ccc(C[NH2+][C@@H]2CO[C@H](CNC(=O)C3CC3)[C@H]2O)cc1 ZINC000096296090 395752325 /nfs/dbraw/zinc/75/23/25/395752325.db2.gz VOJZHNZBYISHSB-OAGGEKHMSA-N 1 0 304.390 0.739 40 0 biogenic,in-vitro DCABRO Cn1cc(C[N@@H+]2C[C@H]3CN(c4cnn(C)c4)C(=O)[C@H]3C2)cn1 ZINC000096245247 395751426 /nfs/dbraw/zinc/75/14/26/395751426.db2.gz LQHXHCHRTGCZHB-JSGCOSHPSA-N 1 0 300.366 0.248 40 0 DCABRO CS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(N)C[NH3+] ZINC000218192960 395841947 /nfs/dbraw/zinc/84/19/47/395841947.db2.gz VXDGQQJHJDKERH-VWYCJHECSA-N 1 0 319.224 0.616 40 0 DCABRO CC(C)Cc1cc(C(=O)N2CC[N@H+](C)C[C@H](C(N)=O)C2)on1 ZINC000257210828 396038332 /nfs/dbraw/zinc/03/83/32/396038332.db2.gz BWIMPXSZAVUVLA-NSHDSACASA-N 1 0 308.382 0.362 40 0 DCABRO [NH3+]CCC(=O)NC[C@@]1(O)CCN(c2ccnc3ccncc32)C1 ZINC000257227807 396040810 /nfs/dbraw/zinc/04/08/10/396040810.db2.gz FQZLGTAWDCXDDQ-INIZCTEOSA-N 1 0 315.377 0.036 40 0 DCABRO NC(=O)N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1[NH+]1CCCC1 ZINC000257253822 396044433 /nfs/dbraw/zinc/04/44/33/396044433.db2.gz KAJYPEUCNXCJQL-MQYQWHSLSA-N 1 0 306.366 0.095 40 0 DCABRO COc1ccccc1CC(=O)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257254796 396044451 /nfs/dbraw/zinc/04/44/51/396044451.db2.gz KESQMUKSZOPQAV-HUUCEWRRSA-N 1 0 304.390 0.905 40 0 DCABRO Cc1nccc(C(=O)N[C@@H]2CCC[C@@H]([NH+]3CCCC3)[C@@H]2O)n1 ZINC000257262907 396045370 /nfs/dbraw/zinc/04/53/70/396045370.db2.gz LNOKVLVHWHQOPU-BPLDGKMQSA-N 1 0 304.394 0.893 40 0 DCABRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CC(O)(c3ccccc3)C2)C1 ZINC000291072189 396478504 /nfs/dbraw/zinc/47/85/04/396478504.db2.gz QTDZMZMFVICLOV-OAHLLOKOSA-N 1 0 319.405 0.620 40 0 DCABRO O=C(C=Cc1c[nH]cn1)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000585290831 396647594 /nfs/dbraw/zinc/64/75/94/396647594.db2.gz HFTXBBVDGVQFAR-UBTNOTLOSA-N 1 0 304.394 0.917 40 0 DCABRO Cn1nccc1C(=O)N1C[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]21 ZINC000585108258 396640083 /nfs/dbraw/zinc/64/00/83/396640083.db2.gz IJJDDSZMEVKYDA-ZFWWWQNUSA-N 1 0 304.394 0.603 40 0 DCABRO COCC(=O)N1CCC[C@]2(CCN(CC[NH+]3CCCC3)C2=O)C1 ZINC000096224258 292176778 /nfs/dbraw/zinc/17/67/78/292176778.db2.gz WWMUURMCWFSFAG-KRWDZBQOSA-N 1 0 323.437 0.570 40 0 DCABRO COCCN1C(=O)CO[C@H]2CN(Cc3ccccc3OC)C[C@H]21 ZINC000067897288 415389169 /nfs/dbraw/zinc/38/91/69/415389169.db2.gz YIKXVUVYYVNIIT-ZBFHGGJFSA-N 1 0 320.389 0.753 40 0 biogenic,in-vitro DCABRO O=C([C@@H]1C[C@@H]2CC[N@@H+](C3CCOCC3)C[C@@H]2O1)N1CCOCC1 ZINC000096041001 415572666 /nfs/dbraw/zinc/57/26/66/415572666.db2.gz TWUXQYQAPAIYGP-BPUTZDHNSA-N 1 0 324.421 0.504 40 0 DCABRO CC(C)NC(=O)N1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC000096223853 415577095 /nfs/dbraw/zinc/57/70/95/415577095.db2.gz GGNSNAMXKZHBEI-MRXNPFEDSA-N 1 0 310.442 0.981 40 0 DCABRO C[NH+](C)CC(=O)N1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000107207697 415660801 /nfs/dbraw/zinc/66/08/01/415660801.db2.gz YAABOPPKWNJVDT-WWGRRREGSA-N 1 0 305.378 0.780 40 0 DCABRO CNC(=O)c1c[nH]nc1[C@@H]1CCN(Cc2cnc(NC)nc2)C1 ZINC000257228689 416335110 /nfs/dbraw/zinc/33/51/10/416335110.db2.gz FUWGNLSNASVTJH-LLVKDONJSA-N 1 0 315.381 0.591 40 0 DCABRO CC(C)c1noc(CCC(=O)N2CC[N@H+](C)C[C@H](C(N)=O)C2)n1 ZINC000257332175 416335239 /nfs/dbraw/zinc/33/52/39/416335239.db2.gz XWBNZAXBCRMJFN-NSHDSACASA-N 1 0 323.397 0.001 40 0 DCABRO O=C(C[NH+]1CCCCC1)NC[C@@]1(O)CCN(c2cnccn2)C1 ZINC000257333901 416335352 /nfs/dbraw/zinc/33/53/52/416335352.db2.gz YDPOSEMHPHEFSS-INIZCTEOSA-N 1 0 319.409 0.020 40 0 DCABRO CCn1cc(C[N@@H+]2CC[C@@H](c3n[nH]cc3C(=O)NC)C2)cn1 ZINC000257291667 416335368 /nfs/dbraw/zinc/33/53/68/416335368.db2.gz QICGPAOZNXEXBA-GFCCVEGCSA-N 1 0 302.382 0.975 40 0 DCABRO CCOC[C@@H]1C[N@H+](C)C2(CN(C(=O)c3cnc(C)cn3)C2)C1 ZINC000585093899 416517373 /nfs/dbraw/zinc/51/73/73/416517373.db2.gz NYEHFBDHRHVHDC-ZDUSSCGKSA-N 1 0 304.394 0.968 40 0 DCABRO O=S(=O)(C1CC1)N1CC2(C1)C[C@H](CO)C[N@@H+]2CC1CC1 ZINC000585093875 416517406 /nfs/dbraw/zinc/51/74/06/416517406.db2.gz LVUUYFKCDCCXKP-LBPRGKRZSA-N 1 0 300.424 0.257 40 0 DCABRO C[NH+](C)C[C@H]1CO[C@]2(C1)COCCN(S(=O)(=O)C1CC1)C2 ZINC000096051963 289218577 /nfs/dbraw/zinc/21/85/77/289218577.db2.gz WNJRAANABOXWLF-JSGCOSHPSA-N 1 0 318.439 0.148 40 0 DCABRO CN1C(=O)[C@@H]2[C@@H](C1=O)C1(O)c3ccccc3C2([NH3+])c2ccccc21 ZINC000031818612 289856950 /nfs/dbraw/zinc/85/69/50/289856950.db2.gz ZXBWBJZXTCWRKI-GKVPXEHWSA-N 1 0 320.348 0.683 40 0 DCABRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cnc[nH]c2=O)cc1 ZINC000257269917 295225861 /nfs/dbraw/zinc/22/58/61/295225861.db2.gz MRYPDSKJKRXCAX-AWEZNQCLSA-N 1 0 314.345 0.978 40 0 DCABRO C[N@@H+]1C[C@@H](C(=O)NC2COC2)[C@@H]2COc3ccc(F)cc3[C@@H]21 ZINC001772595818 1157780492 /nfs/dbraw/zinc/78/04/92/1157780492.db2.gz MJCJBWXNRSLEPK-IPYPFGDCSA-N 1 0 306.337 0.952 40 0 DCABRO O[C@@H]1[C@@H](n2ccnc2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccccn1 ZINC000952844771 768908418 /nfs/dbraw/zinc/90/84/18/768908418.db2.gz IDUIRDZPUJGCBE-ARILJUKYSA-N 1 0 302.334 0.094 40 0 biogenic,in-vitro DCABRO CC(C)(C)c1cn(C[C@H]2OC[C@H](O)[C@H]2[NH2+]Cc2cnc[nH]2)nn1 ZINC001549160101 1014157115 /nfs/dbraw/zinc/15/71/15/1014157115.db2.gz ALTOARPQFWTUFD-OUCADQQQSA-N 1 0 320.397 0.217 40 0 DCABRO CC(C)(C)c1cn(C[C@H]2OC[C@H](O)[C@H]2NC2CC[NH2+]CC2)nn1 ZINC001549161912 1014157459 /nfs/dbraw/zinc/15/74/59/1014157459.db2.gz QCXZSLQZYYDVRH-GZBFAFLISA-N 1 0 323.441 0.046 40 0 DCABRO N=C=C1CCCN1C(=O)C[NH2+][C@@]12C[C@H]3C[C@@H](C1)C[C@](O)(C3)C2 ZINC001560411595 1012452068 /nfs/dbraw/zinc/45/20/68/1012452068.db2.gz CJTNSASUQXDWET-GANFFNEQSA-N 1 0 302.398 0.636 40 0 DCABRO COC(=O)[C@@H]1CN(CC[NH3+])CCN1C(=O)OCc1ccccc1 ZINC000079419893 185170760 /nfs/dbraw/zinc/17/07/60/185170760.db2.gz FIBFTMTWZYYNAJ-AWEZNQCLSA-N 1 0 321.377 0.441 40 0 DCABRO C[N@H+]1C[C@@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@@H]2C1 ZINC000306132882 529824063 /nfs/dbraw/zinc/82/40/63/529824063.db2.gz LVHGSUGMPDSOCQ-KBPBESRZSA-N 1 0 311.389 0.942 40 0 DCABRO CC(=O)N1CC(c2nc(C)cc(N3CC[C@H]([NH+](C)C)C3)n2)C1 ZINC000072365294 191134152 /nfs/dbraw/zinc/13/41/52/191134152.db2.gz MHPNXAVKMYDJEZ-AWEZNQCLSA-N 1 0 303.410 0.871 40 0 DCABRO COC(=O)C1[C@@H](c2ccc(OC)cc2)[C@@H](C(=O)OC)O[N+]1=O ZINC000001590410 290929206 /nfs/dbraw/zinc/92/92/06/290929206.db2.gz MLHJRFGGXNOJGD-PWSUYJOCSA-N 1 0 309.274 0.390 40 0 DCABRO COc1cccc([C@@H]2CC(=O)N(C3CC[NH2+]CC3)CC(=O)N2)c1 ZINC000091689959 193091854 /nfs/dbraw/zinc/09/18/54/193091854.db2.gz YCNFERCBEOSIQK-HNNXBMFYSA-N 1 0 317.389 0.837 40 0 DCABRO C[NH2+][C@H]1CC2(CCN(C(=O)c3cc(C)on3)CC2)OC[C@]1(C)O ZINC000257215061 202949787 /nfs/dbraw/zinc/94/97/87/202949787.db2.gz COMTZAYZJNETFZ-ZFWWWQNUSA-N 1 0 323.393 0.717 40 0 DCABRO CC(=O)N1CCC[C@H]1C(=O)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257218248 202953973 /nfs/dbraw/zinc/95/39/73/202953973.db2.gz DCJWFJKXYLDZOB-GOEBONIOSA-N 1 0 309.410 0.057 40 0 DCABRO C[NH2+][C@@H]1CO[C@@H]2CCN(C(=O)c3ccn(C)n3)C[C@@H]2C[C@@]1(C)O ZINC000257278890 203008440 /nfs/dbraw/zinc/00/84/40/203008440.db2.gz OECGPCGEQDQRJG-ADSMDIBLSA-N 1 0 322.409 0.010 40 0 DCABRO C[N@@H+]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)C[C@H](C(N)=O)C1 ZINC000257289094 203014932 /nfs/dbraw/zinc/01/49/32/203014932.db2.gz PWYUZNSAVNKBBD-LLVKDONJSA-N 1 0 318.352 0.796 40 0 DCABRO CN(C)C(=O)[C@]1(CCCc2ccncc2)CCCN1C(=O)C[NH3+] ZINC000257289031 203015383 /nfs/dbraw/zinc/01/53/83/203015383.db2.gz PWRRKVFCVZRAIK-KRWDZBQOSA-N 1 0 318.421 0.812 40 0 DCABRO COc1ccc(COC[C@@H](O)CN2CC[NH2+]CC2)cc1OC ZINC000019419244 182122375 /nfs/dbraw/zinc/12/23/75/182122375.db2.gz ILKNLRBEBVYEPA-AWEZNQCLSA-N 1 0 310.394 0.487 40 0 DCABRO Cc1noc(C)c1C(=O)N1CCC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC000019745562 182141916 /nfs/dbraw/zinc/14/19/16/182141916.db2.gz FKGRBEKHGKBBAQ-ZDUSSCGKSA-N 1 0 322.409 0.964 40 0 DCABRO Cc1noc(C)c1C(=O)N1CCC[C@@H](NC(=O)C[NH+](C)C)CC1 ZINC000019745560 182142116 /nfs/dbraw/zinc/14/21/16/182142116.db2.gz FKGRBEKHGKBBAQ-CYBMUJFWSA-N 1 0 322.409 0.964 40 0 DCABRO Cc1cc(NC(=O)CCC[NH3+])n([C@H]2CCS(=O)(=O)C2)n1 ZINC000072220458 257124387 /nfs/dbraw/zinc/12/43/87/257124387.db2.gz IOPZFWZQWZRGEO-JTQLQIEISA-N 1 0 300.384 0.229 40 0 DCABRO CCS(=O)(=O)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@]1(C[NH3+])CO ZINC000218144409 257130926 /nfs/dbraw/zinc/13/09/26/257130926.db2.gz GFGHAPQXAMBNIF-MGPQQGTHSA-N 1 0 313.375 0.253 40 0 DCABRO C[NH+](C)C[C@@H]1CO[C@@]2(C1)COCCN(C(=O)N1CCCC1)C2 ZINC000096051974 395741683 /nfs/dbraw/zinc/74/16/83/395741683.db2.gz XGHDQXHFQOZUQA-GDBMZVCRSA-N 1 0 311.426 0.871 40 0 DCABRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3ccsc3)C[C@H]21 ZINC000096054305 395741711 /nfs/dbraw/zinc/74/17/11/395741711.db2.gz FOSPYGCFJNWSMQ-KGLIPLIRSA-N 1 0 309.435 0.835 40 0 DCABRO C[NH+](C)CC(=O)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC000096072518 395742938 /nfs/dbraw/zinc/74/29/38/395742938.db2.gz ATAAXPFOLVMUFV-ZBFHGGJFSA-N 1 0 305.378 0.782 40 0 DCABRO O=C(NC[C@]12COC[C@H]1C[N@@H+](C1CCOCC1)C2)c1ccno1 ZINC000096206458 395749563 /nfs/dbraw/zinc/74/95/63/395749563.db2.gz WYCDBOADBFMQEE-WBMJQRKESA-N 1 0 321.377 0.532 40 0 DCABRO COCC[N@@H+]1C[C@@H](COC)C2(C1)CCN(C(=O)COC)CC2 ZINC000247830302 395979227 /nfs/dbraw/zinc/97/92/27/395979227.db2.gz HIVQDFCAQVWROD-AWEZNQCLSA-N 1 0 314.426 0.466 40 0 DCABRO O=C(CCn1ccnc1)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257221916 396039755 /nfs/dbraw/zinc/03/97/55/396039755.db2.gz DRCVCZYTYMDYOB-IIAWOOMASA-N 1 0 306.410 0.767 40 0 DCABRO COCCn1cnnc1C1CN(C(=O)[C@]2(C)CCCC[N@@H+]2C)C1 ZINC000257240525 396041902 /nfs/dbraw/zinc/04/19/02/396041902.db2.gz HTYGERWTSJWGLY-INIZCTEOSA-N 1 0 321.425 0.725 40 0 DCABRO Nc1nccnc1[C@@H]1CN(C(=O)C[NH+]2CCCCC2)CCO1 ZINC000257264630 396045590 /nfs/dbraw/zinc/04/55/90/396045590.db2.gz LVJDVQQKVCBDLH-LBPRGKRZSA-N 1 0 305.382 0.445 40 0 DCABRO C[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H]3CCOC3)CC[C@@H]21 ZINC000107203529 415659191 /nfs/dbraw/zinc/65/91/91/415659191.db2.gz GMXXYJNEEXQEOB-FZKCQIBNSA-N 1 0 318.421 0.841 40 0 DCABRO COCC[N@@H+]1C[C@H](NC(=O)c2cccn2C)[C@@H]2OCCC[C@@H]21 ZINC000107204340 415661710 /nfs/dbraw/zinc/66/17/10/415661710.db2.gz YDSJVFZZJYUDKN-YDHLFZDLSA-N 1 0 307.394 0.633 40 0 DCABRO CNC(=O)[C@@H]1CN(Cc2c[nH]cn2)CC[N@@H+](C2CCOCC2)C1 ZINC000257332937 416335315 /nfs/dbraw/zinc/33/53/15/416335315.db2.gz XZJTVHNTIAYVSG-CYBMUJFWSA-N 1 0 321.425 0.069 40 0 DCABRO O=S1(=O)C[C@@H](O)[C@H](NCC[NH2+]Cc2cccc(Cl)c2)C1 ZINC000575421404 417535316 /nfs/dbraw/zinc/53/53/16/417535316.db2.gz QKOUQXKPYZDAAX-CHWSQXEVSA-N 1 0 318.826 0.177 40 0 DCABRO O=CNc1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000363301617 262110281 /nfs/dbraw/zinc/11/02/81/262110281.db2.gz APBUWCWQCSZYJV-HZPDHXFCSA-N 1 0 317.389 0.926 40 0 DCABRO C[N@@H+]1CCN(C(=O)c2noc3c2CCCC3)C[C@@H](C(N)=O)C1 ZINC000257250920 277101188 /nfs/dbraw/zinc/10/11/88/277101188.db2.gz JOOXTLFNRVGVOG-JTQLQIEISA-N 1 0 306.366 0.043 40 0 DCABRO CC[NH+](CC)C[C@@H]1CN(S(=O)(=O)N(C)C)Cc2cncn21 ZINC000306141161 279125885 /nfs/dbraw/zinc/12/58/85/279125885.db2.gz VMVYLXTVFQJPQX-CYBMUJFWSA-N 1 0 315.443 0.388 40 0 DCABRO Cc1nccn1[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccccn2)[C@@H]1O ZINC000952844683 768908278 /nfs/dbraw/zinc/90/82/78/768908278.db2.gz GEBCZMLZWIHHKR-DGXTUMSLSA-N 1 0 316.361 0.402 40 0 biogenic,in-vitro DCABRO Cn1nccc1C(=O)NC[C@H]1CO[C@@H]2C[N@@H+](C3CCC3)C[C@H]12 ZINC000306142705 231092532 /nfs/dbraw/zinc/09/25/32/231092532.db2.gz XGXSUANYLYVPPU-NJZAAPMLSA-N 1 0 304.394 0.649 40 0 DCABRO Cc1cc(N2CCC(C(N)=O)CC2)nc(C2CC[NH2+]CC2)n1 ZINC000072364949 191134252 /nfs/dbraw/zinc/13/42/52/191134252.db2.gz HQSRIZWJBNOCMU-UHFFFAOYSA-N 1 0 303.410 0.954 40 0 DCABRO COc1ccc(CC(=O)N2CC[C@](O)(C[NH+](C)C)C2)cc1F ZINC000257298169 203022250 /nfs/dbraw/zinc/02/22/50/203022250.db2.gz RKLWENQMKGWXEV-INIZCTEOSA-N 1 0 310.369 0.902 40 0 DCABRO CNC(=O)c1c[nH]nc1[C@@H]1CC[N@H+](Cc2c(C)cnn2C)C1 ZINC000257279738 203007721 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0.407 40 0 biogenic,in-vitro DCABRO CCCNC(=O)N[C@H]1CO[C@@H](C[NH+]2CCC(F)(F)CC2)[C@@H]1O ZINC000514288747 257216769 /nfs/dbraw/zinc/21/67/69/257216769.db2.gz BQETVDLEAPLHIT-SDDRHHMPSA-N 1 0 321.368 0.555 40 0 biogenic,in-vitro DCABRO COc1cc2ncn(CC3(O)CC[NH2+]CC3)c(=O)c2cc1OC ZINC000012187000 395687290 /nfs/dbraw/zinc/68/72/90/395687290.db2.gz AWURIKBKLLJBAZ-UHFFFAOYSA-N 1 0 319.361 0.528 40 0 DCABRO CC(C)NC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccnc(N2CCOCC2)n1 ZINC000019450182 395691062 /nfs/dbraw/zinc/69/10/62/395691062.db2.gz VQXDLTXZXJMZNY-STQMWFEESA-N 1 0 319.409 0.141 40 0 DCABRO CNC(=S)N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000020220256 395691122 /nfs/dbraw/zinc/69/11/22/395691122.db2.gz DCWYHGBZYVUVQZ-GULBITTBSA-N 1 0 316.474 0.648 40 0 DCABRO Cn1cc(C[N@@H+]2CC[C@@H]3O[C@@H](C(=O)NCC4CC4)C[C@@H]32)cn1 ZINC000096183593 395747555 /nfs/dbraw/zinc/74/75/55/395747555.db2.gz XHHVAZMHXITHCQ-SOUVJXGZSA-N 1 0 304.394 0.678 40 0 DCABRO c1nc2n(c1CN1CCOCC1)CC[N@H+]([C@@H]1CCOC1)CC2 ZINC000096196917 395748524 /nfs/dbraw/zinc/74/85/24/395748524.db2.gz ATZKLZFWIRDSEJ-CQSZACIVSA-N 1 0 306.410 0.362 40 0 DCABRO COCC[N@@H+]1CC[C@]2(C1)COCCN(Cc1cnn(C)c1)C2 ZINC000096062297 395742190 /nfs/dbraw/zinc/74/21/90/395742190.db2.gz LROAZFVIKLMTLN-MRXNPFEDSA-N 1 0 308.426 0.591 40 0 DCABRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3ccccn3)C[C@H]21 ZINC000096081698 395744084 /nfs/dbraw/zinc/74/40/84/395744084.db2.gz YTCSYPPZRUXRPX-CABCVRRESA-N 1 0 304.394 0.168 40 0 DCABRO Cn1cc(C[N@@H+]2CC[C@H]3C(=O)N(CC4CC4)CCO[C@H]3C2)cn1 ZINC000096107093 395744304 /nfs/dbraw/zinc/74/43/04/395744304.db2.gz GXXGYUGOILPJGC-CVEARBPZSA-N 1 0 318.421 0.879 40 0 DCABRO Cn1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2cnn(C)c2)cn1 ZINC000096110760 395744707 /nfs/dbraw/zinc/74/47/07/395744707.db2.gz XPWYEDASNDZBGX-HUUCEWRRSA-N 1 0 314.393 0.924 40 0 DCABRO Cn1cncc1C[N@@H+]1C[C@H](C(=O)NCC2CC2)[C@H]2OCC[C@H]21 ZINC000108531386 395791169 /nfs/dbraw/zinc/79/11/69/395791169.db2.gz ARQHGFUXLFBXFD-RRFJBIMHSA-N 1 0 304.394 0.536 40 0 DCABRO Cn1cccc1C(=O)N1CCOC[C@]2(CC[C@@H](C[NH+](C)C)O2)C1 ZINC000248129765 395983793 /nfs/dbraw/zinc/98/37/93/395983793.db2.gz PXYUDLQUTHLORH-YOEHRIQHSA-N 1 0 321.421 0.977 40 0 DCABRO O=C(NC1CCOCC1)[C@H]1CN(c2ccc(F)cc2)CC[NH2+]1 ZINC000257247542 396042416 /nfs/dbraw/zinc/04/24/16/396042416.db2.gz IZKYONUFJHBWET-OAHLLOKOSA-N 1 0 307.369 0.899 40 0 DCABRO O=C(NC1CCOCC1)[C@@H]1CN(c2ccc(F)cc2)CC[NH2+]1 ZINC000257247541 396042476 /nfs/dbraw/zinc/04/24/76/396042476.db2.gz IZKYONUFJHBWET-HNNXBMFYSA-N 1 0 307.369 0.899 40 0 DCABRO CNC(=O)c1c[nH]nc1[C@H]1CC[N@H+](Cc2cn(C)nc2C)C1 ZINC000257246228 396042524 /nfs/dbraw/zinc/04/25/24/396042524.db2.gz ITEGRZYCSBJRRV-NSHDSACASA-N 1 0 302.382 0.801 40 0 DCABRO Cc1cnc(C(=O)N[C@@H]2CCC[C@@H]([NH+]3CCCC3)[C@@H]2O)cn1 ZINC000257262041 396044665 /nfs/dbraw/zinc/04/46/65/396044665.db2.gz LJUSAGDFVXYTKP-BPLDGKMQSA-N 1 0 304.394 0.893 40 0 DCABRO CNc1cc(C)[nH+]c([C@H]2CN(S(=O)(=O)N(C)C)CCO2)c1 ZINC000257257370 396044740 /nfs/dbraw/zinc/04/47/40/396044740.db2.gz KPIHTYQPZAZGIG-CYBMUJFWSA-N 1 0 314.411 0.611 40 0 DCABRO Cc1nc(CCC(=O)N(C)C)cc([C@H]2CCCN2C(=O)C[NH3+])n1 ZINC000257263489 396045575 /nfs/dbraw/zinc/04/55/75/396045575.db2.gz LQDBLQBRDAPDNK-CQSZACIVSA-N 1 0 319.409 0.428 40 0 DCABRO CC(C)(C)CC(=O)NC[C@H]1OC[C@@H]([NH2+]Cc2ccncc2)[C@@H]1O ZINC000077265326 396216300 /nfs/dbraw/zinc/21/63/00/396216300.db2.gz GIUQXMSQOGJWPD-FMKPAKJESA-N 1 0 321.421 0.852 40 0 biogenic,in-vitro DCABRO CO[C@@H]1CCN(C(=O)C[N@H+](C)C2CCCC2)C[C@H]1CC(N)=O ZINC000585278033 396644837 /nfs/dbraw/zinc/64/48/37/396644837.db2.gz ZYYFDOQFTBQIKC-TZMCWYRMSA-N 1 0 311.426 0.600 40 0 DCABRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cncc(OC)n3)[C@H]2C1 ZINC000293987659 396646953 /nfs/dbraw/zinc/64/69/53/396646953.db2.gz WDICNITYXWDEBL-QWHCGFSZSA-N 1 0 306.366 0.420 40 0 DCABRO C[NH+](C)Cc1cnc2n1CCN(C(=O)c1csnn1)CC2 ZINC000585110595 396640707 /nfs/dbraw/zinc/64/07/07/396640707.db2.gz CBTKXYWYJQALSZ-UHFFFAOYSA-N 1 0 306.395 0.495 40 0 DCABRO O=C(NC1CC1)c1nnc2n1C[C@H]1C[N@H+](C3CCC3)C[C@H]1C2 ZINC000306143239 396754649 /nfs/dbraw/zinc/75/46/49/396754649.db2.gz XWYCYEUNLVRCCM-GHMZBOCLSA-N 1 0 301.394 0.827 40 0 DCABRO CNC(=S)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000019370077 415154598 /nfs/dbraw/zinc/15/45/98/415154598.db2.gz DCWYHGBZYVUVQZ-GNHJJJEISA-N 1 0 316.474 0.648 40 0 DCABRO COCCC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019593142 415154762 /nfs/dbraw/zinc/15/47/62/415154762.db2.gz GUHHIRUPVSVJGC-GFCCVEGCSA-N 1 0 304.394 0.865 40 0 DCABRO CC[NH+](CC)CCNC(=O)c1cc(N2CCOCC2)ccn1 ZINC000001703079 415125277 /nfs/dbraw/zinc/12/52/77/415125277.db2.gz REICRRZZWJMNOV-UHFFFAOYSA-N 1 0 306.410 0.990 40 0 DCABRO CN(C)C(=O)N1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC000096059593 415578361 /nfs/dbraw/zinc/57/83/61/415578361.db2.gz FHZIQKYZQNUESU-UHFFFAOYSA-N 1 0 319.409 0.726 40 0 DCABRO O[C@@H]1C[C@@](C[NH2+]C2CCOCC2)(COc2cccnc2)C[C@@H]1O ZINC000107283816 415665039 /nfs/dbraw/zinc/66/50/39/415665039.db2.gz KOOJHMJFTCLTLM-BJWYYQGGSA-N 1 0 322.405 0.731 40 0 biogenic,in-vitro DCABRO CC(C)Cn1nc2n(c(=O)c1=O)C[C@@H]1CC[N@H+](C(C)C)C[C@H]21 ZINC000306125820 416104987 /nfs/dbraw/zinc/10/49/87/416104987.db2.gz DCYQOTMIQJZATB-STQMWFEESA-N 1 0 306.410 0.889 40 0 DCABRO CCS(=O)(=O)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257328544 416335284 /nfs/dbraw/zinc/33/52/84/416335284.db2.gz XGDOTELOHGXQNF-NSHDSACASA-N 1 0 312.382 0.504 40 0 DCABRO COCCN1C(=O)CO[C@H]2C[N@@H+](CC3(O)CCCCC3)C[C@@H]21 ZINC000257328740 277218365 /nfs/dbraw/zinc/21/83/65/277218365.db2.gz XGXDARDCBMRUGE-KBPBESRZSA-N 1 0 312.410 0.240 40 0 DCABRO C[C@@]12C[C@H]3CN(C(=O)c4cc(=O)[nH]c(N)n4)[C@@H]1CCCC[C@@H]2[NH2+]3 ZINC000257344045 289231274 /nfs/dbraw/zinc/23/12/74/289231274.db2.gz ZVNLTBCRVGKBSO-AEPCNGEQSA-N 1 0 317.393 0.900 40 0 DCABRO CC[NH+](CC)C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(C)(=O)=O ZINC000012602244 666382491 /nfs/dbraw/zinc/38/24/91/666382491.db2.gz LHJVJGDTGHUXKT-MELADBBJSA-N 1 0 303.472 0.588 40 0 biogenic,in-vitro DCABRO CC(=O)c1cn(C[C@H]2C[C@H]3CC[N@@H+]2C[C@@H]3C(=O)NC2CC2)nn1 ZINC000008299782 1171062689 /nfs/dbraw/zinc/06/26/89/1171062689.db2.gz JDVJYACUOHOOIA-BNOWGMLFSA-N 1 0 317.393 0.470 40 0 biogenic,in-vitro DCABRO COCc1cn(C[C@H]2OC[C@H](O)[C@H]2[NH2+]Cc2ccccc2)nn1 ZINC001549159164 1014154142 /nfs/dbraw/zinc/15/41/42/1014154142.db2.gz GDXCNNQOHLDSLB-ARFHVFGLSA-N 1 0 318.377 0.343 40 0 DCABRO O[C@H]1CO[C@H](Cn2cc(C3CC3)nn2)[C@@H]1[NH2+]Cc1ccncc1 ZINC001549160817 1014156882 /nfs/dbraw/zinc/15/68/82/1014156882.db2.gz HUDMARFYOLDRSM-ARFHVFGLSA-N 1 0 315.377 0.469 40 0 DCABRO CN(C)C(=O)c1cccc(C[C@@H]2COCC[N@H+](CCO)C2)n1 ZINC000072381116 191142499 /nfs/dbraw/zinc/14/24/99/191142499.db2.gz MIPOWLALCFUJHY-ZDUSSCGKSA-N 1 0 307.394 0.267 40 0 DCABRO C[NH2+]CC(=O)N1CC(c2cc(Nc3ncccn3)nc(C)n2)C1 ZINC000072383036 191143121 /nfs/dbraw/zinc/14/31/21/191143121.db2.gz SIYQBTRBNYRMQF-UHFFFAOYSA-N 1 0 313.365 0.464 40 0 DCABRO C[NH+](C)CCNC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000408707755 239272717 /nfs/dbraw/zinc/27/27/17/239272717.db2.gz DPGKCTBRTXYWLV-UHFFFAOYSA-N 1 0 318.377 0.195 40 0 DCABRO O=C(CN1CCCCCC1=O)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257267690 202996558 /nfs/dbraw/zinc/99/65/58/202996558.db2.gz MIJZFTBDKQGMOJ-QGZVFWFLSA-N 1 0 323.437 0.448 40 0 DCABRO Cc1c(CCC(=O)N[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)cnn1C ZINC000257268064 202999160 /nfs/dbraw/zinc/99/91/60/202999160.db2.gz MKAZEMMTAFARPM-BFYDXBDKSA-N 1 0 320.437 0.765 40 0 DCABRO CNC(=O)[C@@H]1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)CC[N@H+](C)C1 ZINC000257301598 203026271 /nfs/dbraw/zinc/02/62/71/203026271.db2.gz RZBVAQQRIIJZDR-NSHDSACASA-N 1 0 321.425 0.457 40 0 DCABRO Cc1nccnc1CC[C@@H]1COCCN1C(=O)C1CC[NH2+]CC1 ZINC000257305115 203030327 /nfs/dbraw/zinc/03/03/27/203030327.db2.gz SOMNGJKVOSOVRZ-OAHLLOKOSA-N 1 0 318.421 0.945 40 0 DCABRO COCC(=O)N[C@@H]1C[N@H+](Cc2c[nH]c3ccccc23)C[C@H]1O ZINC000257310337 203034888 /nfs/dbraw/zinc/03/48/88/203034888.db2.gz UERBICGZHQZOTK-HUUCEWRRSA-N 1 0 303.362 0.476 40 0 DCABRO CN1CC[NH+](C[C@]2(O)CCN(C(=O)c3ccccc3F)C2)CC1 ZINC000257334943 203055709 /nfs/dbraw/zinc/05/57/09/203055709.db2.gz YHYNPFSZQMJUGK-QGZVFWFLSA-N 1 0 321.396 0.650 40 0 DCABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CC[C@@H](CN(C(=O)c1cncnc1)C2)[C@H]3O ZINC000257317679 203041285 /nfs/dbraw/zinc/04/12/85/203041285.db2.gz VKTKMYUOWANVMX-YIIZKNBGSA-N 1 0 316.405 0.782 40 0 DCABRO O=C(N[C@@H]1CCCC[C@@H]([NH+]2CCCC2)[C@@H]1O)c1ccnnc1 ZINC000257322829 203047712 /nfs/dbraw/zinc/04/77/12/203047712.db2.gz WHORIQHQYACFHG-RBSFLKMASA-N 1 0 304.394 0.974 40 0 DCABRO C[C@@H](COC[C@H](O)C[NH+]1CCN(CCO)CC1)c1ccccc1 ZINC000022465256 182322880 /nfs/dbraw/zinc/32/28/80/182322880.db2.gz YYSXXIALKGJBLH-FUHWJXTLSA-N 1 0 322.449 0.778 40 0 DCABRO CC[NH+](CC)C[C@@H]1OC[C@@H](NC(=O)NCc2ccccc2)[C@H]1O ZINC000514288626 257216037 /nfs/dbraw/zinc/21/60/37/257216037.db2.gz JGJWBJRAMPXESD-OWCLPIDISA-N 1 0 321.421 0.956 40 0 biogenic,in-vitro DCABRO CN(C)C(=O)[C@H]1C[NH2+]C[C@@H]1c1ccnc(N2CCCCC2)n1 ZINC000019581380 134533188 /nfs/dbraw/zinc/53/31/88/134533188.db2.gz RMISXAUOWOOVDF-STQMWFEESA-N 1 0 303.410 0.858 40 0 DCABRO O=S1(=O)CC[C@@H]([NH2+]CCNC(=S)Nc2ccccc2)C1 ZINC000012139545 395687112 /nfs/dbraw/zinc/68/71/12/395687112.db2.gz SMCFIPIZZSNIJQ-GFCCVEGCSA-N 1 0 313.448 0.750 40 0 DCABRO CN(C)C(=O)CN1C(=O)C[C@@H]2[C@@H]1CC[N@@H+]2CCc1ccccc1 ZINC000096183910 395747494 /nfs/dbraw/zinc/74/74/94/395747494.db2.gz MTVDHTJFCKVLKU-JKSUJKDBSA-N 1 0 315.417 0.993 40 0 DCABRO CCS(=O)(=O)N1CCO[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC000096049761 395741314 /nfs/dbraw/zinc/74/13/14/395741314.db2.gz PAEMGJCLMSUIAA-CYBMUJFWSA-N 1 0 306.428 0.148 40 0 DCABRO CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3cccnc3)C[C@H]2[N@@H+]1C(C)C ZINC000096054236 395741482 /nfs/dbraw/zinc/74/14/82/395741482.db2.gz MSRGAJDWPVKIEP-SOUVJXGZSA-N 1 0 316.405 0.751 40 0 DCABRO Cn1ccnc1C(=O)N[C@@H]1C[N@H+](CC2CC2)[C@@H]2CCCO[C@H]12 ZINC000096056356 395741565 /nfs/dbraw/zinc/74/15/65/395741565.db2.gz DVKFLSDPKPBDOH-MGPQQGTHSA-N 1 0 304.394 0.792 40 0 DCABRO C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)[C@@H]3CCOC3)CC[C@@H]21 ZINC000096064395 395742736 /nfs/dbraw/zinc/74/27/36/395742736.db2.gz ZSAOXDLSYMPEQR-KBXIAJHMSA-N 1 0 319.409 0.236 40 0 DCABRO CNC(=O)C[NH+]1CCC2(CCCN(Cc3nccn3C)C2)CC1 ZINC000096071812 395743148 /nfs/dbraw/zinc/74/31/48/395743148.db2.gz LVFURZAHJBDDDF-UHFFFAOYSA-N 1 0 319.453 0.844 40 0 DCABRO CNC(=O)C1([N@@H+]2CCC[C@H]2C(=O)N2CCCC2)CCOCC1 ZINC000096113124 395744836 /nfs/dbraw/zinc/74/48/36/395744836.db2.gz IMVXLOPYVKUAPS-ZDUSSCGKSA-N 1 0 309.410 0.368 40 0 biogenic,in-vitro DCABRO CN(C)C(=O)[C@H]1COC2(C1)CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096224873 395750630 /nfs/dbraw/zinc/75/06/30/395750630.db2.gz XWGXAXIAANBBBN-CQSZACIVSA-N 1 0 306.410 0.879 40 0 DCABRO CCc1cnc(N2C[C@@H]3C(=O)N(CC[NH+](C)C)C[C@@H]3C2)nc1 ZINC000096244956 395750852 /nfs/dbraw/zinc/75/08/52/395750852.db2.gz RFRZWDNKQMCBOU-KGLIPLIRSA-N 1 0 303.410 0.495 40 0 DCABRO CNc1ncccc1CN1CC[N@H+](C)C[C@@H](C(=O)N(C)C)C1 ZINC000257210633 396037579 /nfs/dbraw/zinc/03/75/79/396037579.db2.gz BVNPQQQCLSDGMX-CQSZACIVSA-N 1 0 305.426 0.575 40 0 DCABRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)CN2CCOCC2)cc1 ZINC000257215134 396038914 /nfs/dbraw/zinc/03/89/14/396038914.db2.gz COVPDYSVKYLIRX-MRXNPFEDSA-N 1 0 319.405 0.500 40 0 DCABRO Cn1nccc1C[NH2+][C@@H]1CC[C@@H](Oc2ccccc2)[C@@H](O)[C@@H]1O ZINC000257238092 396041890 /nfs/dbraw/zinc/04/18/90/396041890.db2.gz HJOBSMFNNKSGAD-QBPKDAKJSA-N 1 0 317.389 0.842 40 0 DCABRO C[NH+](C)[C@H]1CC2(CCN(C(=O)c3c[nH]cn3)CC2)OC[C@]1(C)O ZINC000257267733 396045123 /nfs/dbraw/zinc/04/51/23/396045123.db2.gz MIOMBAHGVSUQBL-ZFWWWQNUSA-N 1 0 322.409 0.486 40 0 DCABRO CC(=O)N1CCC(O)(C[N@@H+]2CC[C@H](c3nccc(C)n3)C2)CC1 ZINC000257265761 396045593 /nfs/dbraw/zinc/04/55/93/396045593.db2.gz MADVDALDAMQXJB-HNNXBMFYSA-N 1 0 318.421 0.948 40 0 DCABRO Nc1cccc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000262082146 396096849 /nfs/dbraw/zinc/09/68/49/396096849.db2.gz TWLXRQJCXDDZAL-SNVBAGLBSA-N 1 0 317.315 0.230 40 0 DCABRO CNc1ncccc1C[N@@H+]1C[C@H](O)[C@@H](CC(=O)N2CCCC2)C1 ZINC000585278085 396644802 /nfs/dbraw/zinc/64/48/02/396644802.db2.gz QINKAAJQMIHKHU-GJZGRUSLSA-N 1 0 318.421 0.929 40 0 DCABRO Cn1nccc1/C=C/C(=O)N[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000585288810 396647629 /nfs/dbraw/zinc/64/76/29/396647629.db2.gz AEBHKPFXZFTVPJ-CUBFUVFKSA-N 1 0 304.394 0.537 40 0 DCABRO C[NH+](C)C/C=C/C(=O)N1CCO[C@@](CO)(Cc2ccccc2)C1 ZINC000585289011 396647800 /nfs/dbraw/zinc/64/78/00/396647800.db2.gz CTVSXVLFOMRGKW-YOCVDRLZSA-N 1 0 318.417 0.937 40 0 DCABRO COc1cccc(C(=O)N2C[C@@H]3COCCN3C3(C[NH2+]C3)C2)c1 ZINC000604382631 397638980 /nfs/dbraw/zinc/63/89/80/397638980.db2.gz WDVVLIQVTFZRAJ-CQSZACIVSA-N 1 0 317.389 0.194 40 0 biogenic,in-vitro DCABRO COc1ccc(C(=O)NCCN2CC[NH+](C)CC2)cc1OC ZINC000022830020 415157143 /nfs/dbraw/zinc/15/71/43/415157143.db2.gz WTLIXPCQHUGHBC-UHFFFAOYSA-N 1 0 307.394 0.681 40 0 DCABRO c1cnc(N2CC3(C2)CC[C@@H](C[NH+]2CCOCC2)CO3)nc1 ZINC000247953448 416333148 /nfs/dbraw/zinc/33/31/48/416333148.db2.gz KYKJQMMKHIXXBC-AWEZNQCLSA-N 1 0 304.394 0.794 40 0 DCABRO O=C1CO[C@H]2CC[N@@H+](Cc3ccc(OCCO)cc3)C[C@@H]2N1 ZINC000257335043 416335264 /nfs/dbraw/zinc/33/52/64/416335264.db2.gz YIMDGALNGIIRTO-GJZGRUSLSA-N 1 0 306.362 0.147 40 0 DCABRO CC(=O)N1CCC(O)(C[N@@H+]2CCC[C@@H]2c2cnccn2)CC1 ZINC000257331134 416335432 /nfs/dbraw/zinc/33/54/32/416335432.db2.gz XROATIHLVLKGSO-OAHLLOKOSA-N 1 0 304.394 0.987 40 0 DCABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2cccc(F)c2)[C@@H]1S(C)(=O)=O ZINC000218543487 416327651 /nfs/dbraw/zinc/32/76/51/416327651.db2.gz RLJKFTSIVROBMQ-SGMGOOAPSA-N 1 0 315.366 0.844 40 0 DCABRO CCOC[C@H]1C[N@H+](C)C2(CN(C(=O)c3cc(=O)[nH]cn3)C2)C1 ZINC000585093778 416518277 /nfs/dbraw/zinc/51/82/77/416518277.db2.gz FPYXTSHOHMOAPC-LLVKDONJSA-N 1 0 306.366 0.365 40 0 DCABRO CC[NH+](CC)C[C@H]1CN(S(=O)(=O)N(C)C)Cc2cncn21 ZINC000306141162 276109869 /nfs/dbraw/zinc/10/98/69/276109869.db2.gz VMVYLXTVFQJPQX-ZDUSSCGKSA-N 1 0 315.443 0.388 40 0 DCABRO [NH3+]CC(=O)N1CCC(c2ccnc(Nc3cncnc3)n2)CC1 ZINC000072360876 191132109 /nfs/dbraw/zinc/13/21/09/191132109.db2.gz DXGMAQGADFKXKG-UHFFFAOYSA-N 1 0 313.365 0.675 40 0 DCABRO CC(=O)N1CCN(c2cc(C[C@H]3CCC[NH2+]C3)ncn2)CC1 ZINC000072365055 191133683 /nfs/dbraw/zinc/13/36/83/191133683.db2.gz KFHKRQTZJWRDFP-CQSZACIVSA-N 1 0 303.410 0.687 40 0 DCABRO [NH3+]CC(=O)N1CCC[C@@H](Cc2ccc(N3CCCC3)nn2)C1 ZINC000072387251 191145473 /nfs/dbraw/zinc/14/54/73/191145473.db2.gz KRNWZRJCRIMNJU-ZDUSSCGKSA-N 1 0 303.410 0.817 40 0 DCABRO NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)C[C@H](Cc1ccccc1)C(=O)[O-] ZINC000001607827 180878536 /nfs/dbraw/zinc/87/85/36/180878536.db2.gz FQRLGZIGRMSTAX-QWHCGFSZSA-N 1 0 320.393 0.480 40 0 DCABRO Cc1ccnn1CCC(=O)N[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257314606 203039349 /nfs/dbraw/zinc/03/93/49/203039349.db2.gz UXRKRNAASSPWPH-IIAWOOMASA-N 1 0 306.410 0.686 40 0 DCABRO CNC(=O)[C@H]1CN(C(=O)c2noc3c2CCCC3)CC[N@H+](C)C1 ZINC000257344351 203066218 /nfs/dbraw/zinc/06/62/18/203066218.db2.gz ZWVMZHNMURNDPT-LLVKDONJSA-N 1 0 320.393 0.303 40 0 DCABRO O=C(NC[C@H]1OC[C@@H]([NH2+]C2CCCCC2)[C@@H]1O)c1ccncc1 ZINC000096296133 193611362 /nfs/dbraw/zinc/61/13/62/193611362.db2.gz SJHKLURYDSSIRF-OAGGEKHMSA-N 1 0 319.405 0.862 40 0 biogenic,in-vitro DCABRO COc1ccc(OC)c(NC(=O)C(=O)NCCC[NH+](C)C)c1 ZINC000009855412 181643848 /nfs/dbraw/zinc/64/38/48/181643848.db2.gz RHIZUIDTFLVXNT-UHFFFAOYSA-N 1 0 309.366 0.710 40 0 DCABRO COc1cccc(NC(=O)C[C@@H]2OCCN(CC[NH3+])C2=O)c1 ZINC000017031528 182069526 /nfs/dbraw/zinc/06/95/26/182069526.db2.gz ARUMXRUSDPKQAF-ZDUSSCGKSA-N 1 0 307.350 0.210 40 0 DCABRO O=C([C@H]1CCCO1)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019292341 182113429 /nfs/dbraw/zinc/11/34/29/182113429.db2.gz MRSKOBZLDXWAHG-UONOGXRCSA-N 1 0 302.378 0.965 40 0 DCABRO [NH3+]CCN1CCO[C@@H](CC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000008559495 395684720 /nfs/dbraw/zinc/68/47/20/395684720.db2.gz YHWIZYXEOTZJLS-LBPRGKRZSA-N 1 0 311.769 0.855 40 0 DCABRO C[NH+]1CCC(NC(=O)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000031224341 395705916 /nfs/dbraw/zinc/70/59/16/395705916.db2.gz DILPWOPSPLGCHI-UHFFFAOYSA-N 1 0 311.407 0.882 40 0 DCABRO CC(=O)N1[C@@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@@H]3CCOC3)CC[C@@H]21 ZINC000096064453 395742406 /nfs/dbraw/zinc/74/24/06/395742406.db2.gz FLMVNACLOOLBHQ-VQHPVUNQSA-N 1 0 318.421 0.983 40 0 DCABRO C[NH+](C)CCN1CC[C@]2(CCCN(C(=O)[C@H]3CCOC3)C2)C1=O ZINC000096073948 395743258 /nfs/dbraw/zinc/74/32/58/395743258.db2.gz TUKHRMPRMOQCCX-YOEHRIQHSA-N 1 0 323.437 0.426 40 0 DCABRO CS(=O)(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1ccncc1)C2 ZINC000096108322 395744699 /nfs/dbraw/zinc/74/46/99/395744699.db2.gz UUNPTVGQHGJXKB-KGLIPLIRSA-N 1 0 311.407 0.079 40 0 DCABRO Cn1cc(C[N@H+]2CCc3nnc(Cn4cccc4)n3CC2)cn1 ZINC000096259875 395752390 /nfs/dbraw/zinc/75/23/90/395752390.db2.gz RJLCBBKGTYFBDI-UHFFFAOYSA-N 1 0 311.393 0.920 40 0 DCABRO CNC(=O)[C@H]1CO[C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]12 ZINC000096219564 395749763 /nfs/dbraw/zinc/74/97/63/395749763.db2.gz WEYMZQHPFRRDJB-TYNCELHUSA-N 1 0 304.346 0.608 40 0 DCABRO OCCOCc1nnn2c1CN(CC[NH+]1CCCC1)CCC2 ZINC000096256061 395751904 /nfs/dbraw/zinc/75/19/04/395751904.db2.gz VSKVNIUUSMLZGH-UHFFFAOYSA-N 1 0 309.414 0.089 40 0 DCABRO COC(=O)c1cc(S(=O)(=O)NCC[NH+](C)C)ccc1Cl ZINC000136444263 395946940 /nfs/dbraw/zinc/94/69/40/395946940.db2.gz JLARROWMKDTBGG-UHFFFAOYSA-N 1 0 320.798 0.967 40 0 DCABRO Cn1cc(C(=O)N2CCO[C@H](CCc3cc[nH+]c(N)c3)C2)cn1 ZINC000257200499 396036044 /nfs/dbraw/zinc/03/60/44/396036044.db2.gz ADORWXNCLYFUBY-CQSZACIVSA-N 1 0 315.377 0.871 40 0 DCABRO Cc1cc2ncc(C[NH+](C)C)c([C@H]3CN(CCO)CCO3)n2n1 ZINC000257208974 396038069 /nfs/dbraw/zinc/03/80/69/396038069.db2.gz BOIWFIWFVOQUOI-CQSZACIVSA-N 1 0 319.409 0.465 40 0 DCABRO Cc1cc(C)n2ncc(CN3CC[N@@H+](C)C[C@H](C(N)=O)C3)c2n1 ZINC000257250925 396043467 /nfs/dbraw/zinc/04/34/67/396043467.db2.gz JOPCMZXTSKQWCZ-AWEZNQCLSA-N 1 0 316.409 0.195 40 0 DCABRO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1C ZINC000585294530 396648517 /nfs/dbraw/zinc/64/85/17/396648517.db2.gz HUWJQYZMNIFZMY-AKVMBCECSA-N 1 0 308.353 0.902 40 0 DCABRO COC[C@@H]1CN(C(=O)c2cnn(C)c2)CC12CC[NH+](C)CC2 ZINC000585103628 396639075 /nfs/dbraw/zinc/63/90/75/396639075.db2.gz QBWRIMQOSJLDIE-AWEZNQCLSA-N 1 0 306.410 0.851 40 0 DCABRO Cn1ccc(C(=O)N2Cc3ccnn3CC[C@H]2C[NH+](C)C)n1 ZINC000585097399 396639299 /nfs/dbraw/zinc/63/92/99/396639299.db2.gz KYUVSQLSEXSTAI-LBPRGKRZSA-N 1 0 302.382 0.593 40 0 DCABRO CCCNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CCC3)[C@@H](O)[C@H]2O1 ZINC000604381182 397638731 /nfs/dbraw/zinc/63/87/31/397638731.db2.gz DYCIZZDPDIMVJT-HGYYMRRCSA-N 1 0 312.410 0.331 40 0 biogenic,in-vitro DCABRO Cc1ccc(S(=O)(=O)NCC(=O)NCCC[NH+](C)C)cc1 ZINC000007651541 415140863 /nfs/dbraw/zinc/14/08/63/415140863.db2.gz MVVLJDWEHCUGGG-UHFFFAOYSA-N 1 0 313.423 0.341 40 0 DCABRO COCC[N@@H+]1CCOC[C@@]2(CN(C(=O)CC3CC3)CCO2)C1 ZINC000096229399 415577989 /nfs/dbraw/zinc/57/79/89/415577989.db2.gz SWOJOMQXZHZSMA-INIZCTEOSA-N 1 0 312.410 0.363 40 0 DCABRO CC(=O)N1[C@@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@H]3CCOC3)CC[C@@H]21 ZINC000107769968 415671601 /nfs/dbraw/zinc/67/16/01/415671601.db2.gz FLMVNACLOOLBHQ-TWMKSMIVSA-N 1 0 318.421 0.983 40 0 DCABRO O=C(NC1CC1)c1nnc2n1C[C@@H]1C[N@@H+](CC3CC3)C[C@H]1C2 ZINC000306135185 416104979 /nfs/dbraw/zinc/10/49/79/416104979.db2.gz OKIYDJSPPXJWJL-NEPJUHHUSA-N 1 0 301.394 0.684 40 0 DCABRO O=C(N[C@@H]1CN(Cc2ccccn2)C[C@H]1O)c1cscn1 ZINC000257227467 416335120 /nfs/dbraw/zinc/33/51/20/416335120.db2.gz FPKVHECBNNNDOF-DGCLKSJQSA-N 1 0 304.375 0.513 40 0 DCABRO CC[NH+](CC)C[C@H](O)CNC(=O)[C@@H]1COc2ccccc2O1 ZINC000002679838 276108947 /nfs/dbraw/zinc/10/89/47/276108947.db2.gz ZVAXTJMUCHBWPY-DOMZBBRYSA-N 1 0 308.378 0.645 40 0 DCABRO C[N@@H+]1CCN(C(=O)c2noc3c2CCCC3)C[C@H](C(N)=O)C1 ZINC000257250921 277101007 /nfs/dbraw/zinc/10/10/07/277101007.db2.gz JOOXTLFNRVGVOG-SNVBAGLBSA-N 1 0 306.366 0.043 40 0 DCABRO CC[N@@H+]1CCOC[C@]2(CCCN(S(=O)(=O)C3CC3)C2)C1 ZINC000096049617 279382909 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[NH3+]CCn1nc([C@@H]2CCN(C(=O)C3CCC3)C2)c2nccnc21 ZINC000019404304 182121933 /nfs/dbraw/zinc/12/19/33/182121933.db2.gz JJZDUZVKYWRSHH-GFCCVEGCSA-N 1 0 314.393 0.901 40 0 DCABRO O=C([O-])c1ccc(N2CCC[NH2+]CCNCCC[NH2+]CC2)cc1 ZINC000100644646 304246638 /nfs/dbraw/zinc/24/66/38/304246638.db2.gz YFNUSXMLAJLPEP-UHFFFAOYSA-N 1 0 320.437 0.754 40 0 DCABRO CC(C)C[NH+]1CC2(C1)CN(C(=O)C(C)C)C[C@@H]1C[C@@H](O)CN12 ZINC000514289181 257216229 /nfs/dbraw/zinc/21/62/29/257216229.db2.gz JAJUIJSWGBBBDE-LSDHHAIUSA-N 1 0 309.454 0.630 40 0 biogenic,in-vitro DCABRO C[N@H+](CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)C2CC2)[C@H]1O ZINC000514288953 257216458 /nfs/dbraw/zinc/21/64/58/257216458.db2.gz LFWYSZUSCLVGKE-YESZJQIVSA-N 1 0 318.417 0.815 40 0 biogenic,in-vitro DCABRO CC1CC[NH+](C[C@@H]2OC[C@H](NC(=O)NC3CCC3)[C@H]2O)CC1 ZINC000514289059 257216468 /nfs/dbraw/zinc/21/64/68/257216468.db2.gz MXVFUGVTVDTLCV-SOUVJXGZSA-N 1 0 311.426 0.698 40 0 biogenic,in-vitro DCABRO 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CC(=O)N1CCN(c2ccc(C[C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000072386753 191144962 /nfs/dbraw/zinc/14/49/62/191144962.db2.gz DSAQUJHUVNEQLC-CQSZACIVSA-N 1 0 303.410 0.687 40 0 DCABRO NC(=O)C1CC[NH+]([C@H]2CC(=O)N(C3CCCCC3)C2=O)CC1 ZINC000018029946 283283104 /nfs/dbraw/zinc/28/31/04/283283104.db2.gz BXNSSUXDXHRDBO-ZDUSSCGKSA-N 1 0 307.394 0.644 40 0 DCABRO O=C(NC[C@]1(O)C[N@H+](C2CCCCC2)C[C@H]1O)c1ccccn1 ZINC000257329837 203052443 /nfs/dbraw/zinc/05/24/43/203052443.db2.gz XLTBKUSXUHAGSB-WBVHZDCISA-N 1 0 319.405 0.552 40 0 DCABRO Cc1n[nH]c(C)c1CC(=O)N1CCC[C@](O)(C[NH+](C)C)CC1 ZINC000257318524 203042113 /nfs/dbraw/zinc/04/21/13/203042113.db2.gz VOHCYWHWVNHSSO-MRXNPFEDSA-N 1 0 308.426 0.874 40 0 DCABRO Cn1cnc(CNC(=O)c2ccccc2-n2cc(C[NH3+])cn2)c1 ZINC000257344309 203066597 /nfs/dbraw/zinc/06/65/97/203066597.db2.gz ZWNVSXYBBZELFR-UHFFFAOYSA-N 1 0 310.361 0.995 40 0 DCABRO Cc1c(C[N@@H+]2CCC[C@]2(C)C(=O)N2CCOCC2)cnn1C ZINC000019746783 182142341 /nfs/dbraw/zinc/14/23/41/182142341.db2.gz QCWXYMSNPQMDLW-MRXNPFEDSA-N 1 0 306.410 0.942 40 0 DCABRO COc1cc(C=O)ccc1OCCCN1CC[NH+](CCO)CC1 ZINC000019798069 182150835 /nfs/dbraw/zinc/15/08/35/182150835.db2.gz NIYMYMGGCIGSDW-UHFFFAOYSA-N 1 0 322.405 0.887 40 0 DCABRO CCS(=O)(=O)[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@@]1(C[NH3+])CO ZINC000218144552 257130743 /nfs/dbraw/zinc/13/07/43/257130743.db2.gz GFGHAPQXAMBNIF-BFHYXJOUSA-N 1 0 313.375 0.253 40 0 DCABRO O=S1(=O)N[C@@H]2C[N@@H+](C3CCCC3)C[C@@H]2Oc2ncccc21 ZINC000514290256 257215411 /nfs/dbraw/zinc/21/54/11/257215411.db2.gz WUROWNVAEQSTAT-NEPJUHHUSA-N 1 0 309.391 0.748 40 0 biogenic,in-vitro DCABRO COCCN1CCC2(CC[NH+](Cc3cnn(C)c3)CC2)C1=O ZINC000096157755 395746650 /nfs/dbraw/zinc/74/66/50/395746650.db2.gz QUFJOOGZAOUPDZ-UHFFFAOYSA-N 1 0 306.410 0.881 40 0 DCABRO CN(C)C(=O)CN1C(=O)C[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccccn1 ZINC000096183908 395747107 /nfs/dbraw/zinc/74/71/07/395747107.db2.gz LIHJCUCSUNBGPE-UONOGXRCSA-N 1 0 302.378 0.345 40 0 DCABRO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1cn(C)cn1 ZINC000096184284 395747571 /nfs/dbraw/zinc/74/75/71/395747571.db2.gz YIAJRBWDFYWICR-QWHCGFSZSA-N 1 0 312.439 0.913 40 0 DCABRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](NS(C)(=O)=O)[C@@H]3C2)o1 ZINC000096185730 395748098 /nfs/dbraw/zinc/74/80/98/395748098.db2.gz QMVFPGVEOVVQDD-BNOWGMLFSA-N 1 0 314.407 0.584 40 0 DCABRO CN(C)C(=O)Cn1cc2c(n1)[C@H](C[NH2+]Cc1ccco1)OCC2 ZINC000096059724 395742125 /nfs/dbraw/zinc/74/21/25/395742125.db2.gz DUHYUDPMLRNTJD-AWEZNQCLSA-N 1 0 318.377 0.968 40 0 DCABRO Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)N2CCOCC2)cn1 ZINC000096064002 395742739 /nfs/dbraw/zinc/74/27/39/395742739.db2.gz OCWSBHUUUWYQAC-LSDHHAIUSA-N 1 0 319.409 0.521 40 0 DCABRO CNC(=O)CO[C@H]1CO[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC000096072284 395743063 /nfs/dbraw/zinc/74/30/63/395743063.db2.gz DWAMMAXUTMHNIJ-GDBMZVCRSA-N 1 0 305.378 0.578 40 0 DCABRO O=C(NC[C@H]1OC[C@@H]([NH2+]C2CCCC2)[C@@H]1O)c1ccncc1 ZINC000096296132 395752514 /nfs/dbraw/zinc/75/25/14/395752514.db2.gz KEVUNCVLTDGDBH-KFWWJZLASA-N 1 0 305.378 0.472 40 0 biogenic,in-vitro DCABRO O=S(=O)(N[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O)c1ccccc1 ZINC000257211920 396038192 /nfs/dbraw/zinc/03/81/92/396038192.db2.gz CBBUWBHXVHBUGX-RBSFLKMASA-N 1 0 310.419 0.953 40 0 DCABRO C[NH2+][C@H]1CC2(CCN(C(=O)c3cncnc3)CC2)OC[C@]1(C)O ZINC000257223217 396039692 /nfs/dbraw/zinc/03/96/92/396039692.db2.gz DWKHJYWBOWCFSR-ZFWWWQNUSA-N 1 0 320.393 0.211 40 0 DCABRO Cc1cc(N)cc([C@@H]2CN(C(=O)c3nccn3C)CCO2)[nH+]1 ZINC000257224308 396039989 /nfs/dbraw/zinc/03/99/89/396039989.db2.gz FBFWSLLEITULJW-ZDUSSCGKSA-N 1 0 301.350 0.919 40 0 DCABRO C[NH2+]CC(=O)N1CCOC[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585269433 396642963 /nfs/dbraw/zinc/64/29/63/396642963.db2.gz UGDDKOFCOXWWOA-MRXNPFEDSA-N 1 0 308.378 0.183 40 0 DCABRO C[NH2+]CC(=O)N1CCO[C@](CO)(Cc2ccc(Cl)cc2)C1 ZINC000585269311 396643286 /nfs/dbraw/zinc/64/32/86/396643286.db2.gz OUSXZHUEOJRGQK-OAHLLOKOSA-N 1 0 312.797 0.692 40 0 DCABRO CO[C@@H]1COC[C@@H](N(C)C(=O)C[N@H+](C)C2CCCC2)[C@@H]1OC ZINC000585288236 396646615 /nfs/dbraw/zinc/64/66/15/396646615.db2.gz SEJDZSWVPCFFQM-FMKPAKJESA-N 1 0 314.426 0.748 40 0 DCABRO CC(=O)N1C[C@@H]2COCCN2C2(C[NH+](C3CCCCC3)C2)C1 ZINC000604381011 397638922 /nfs/dbraw/zinc/63/89/22/397638922.db2.gz BFHFGKARSRMFDE-MRXNPFEDSA-N 1 0 307.438 0.936 40 0 biogenic,in-vitro DCABRO COCCn1cc2c(n1)[C@H](C[NH2+]Cc1cnn(C)c1)OCC2 ZINC000096044295 415570785 /nfs/dbraw/zinc/57/07/85/415570785.db2.gz CZXLNEXQGLMAJX-AWEZNQCLSA-N 1 0 305.382 0.667 40 0 DCABRO Cn1cc(C[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)NC3CCC3)C2)cn1 ZINC000096041159 415570943 /nfs/dbraw/zinc/57/09/43/415570943.db2.gz XDNPECFWHWGDQN-HRCADAONSA-N 1 0 318.421 0.926 40 0 DCABRO O=C(c1cnccn1)N1CC[N@@H+]2C[C@H](OCC3CC3)C[C@H]2C1 ZINC000107197780 415659027 /nfs/dbraw/zinc/65/90/27/415659027.db2.gz PTUDCEPGTGNUDN-UONOGXRCSA-N 1 0 302.378 0.802 40 0 DCABRO CS(=O)(=O)CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000153519080 415982048 /nfs/dbraw/zinc/98/20/48/415982048.db2.gz NAAQNAMQSIIZIE-CYBMUJFWSA-N 1 0 317.455 0.691 40 0 DCABRO O=C([O-])CNc1nc(NCCC2CC[NH2+]CC2)cc(C2CC2)[nH+]1 ZINC000329067211 416147630 /nfs/dbraw/zinc/14/76/30/416147630.db2.gz YGFYWNQODGNPFO-UHFFFAOYSA-N 1 0 319.409 0.496 40 0 DCABRO Cn1ccnc1CNC(=O)c1cncc(C2CC[NH2+]CC2)n1 ZINC000257228728 416334874 /nfs/dbraw/zinc/33/48/74/416334874.db2.gz FUZZXDKDNKHULS-UHFFFAOYSA-N 1 0 300.366 0.607 40 0 DCABRO Cc1n[nH]c(C)c1CC(=O)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257333646 416335323 /nfs/dbraw/zinc/33/53/23/416335323.db2.gz YCLKGZNIOWVHPK-MRXNPFEDSA-N 1 0 306.410 0.628 40 0 DCABRO CC(C)(C)[NH2+]C[C@@H](CO)Oc1nsnc1N1CCOCC1 ZINC000077301546 275820938 /nfs/dbraw/zinc/82/09/38/275820938.db2.gz MAMSPDKEMJALRZ-JTQLQIEISA-N 1 0 316.427 0.503 40 0 in-vitro DCABRO CCOCC(=O)N1C[C@@H](O)[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000257328063 276313103 /nfs/dbraw/zinc/31/31/03/276313103.db2.gz XDYMRUBBQLRZKG-HZPDHXFCSA-N 1 0 304.390 0.653 40 0 DCABRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(S(C)(=O)=O)C2 ZINC000096219944 293233796 /nfs/dbraw/zinc/23/37/96/293233796.db2.gz NHWXIRHCGNQYCO-ZIAGYGMSSA-N 1 0 302.440 0.626 40 0 DCABRO CN(c1ccccc1C(=O)NCCC[NH+](C)C)S(C)(=O)=O ZINC000013647495 331545060 /nfs/dbraw/zinc/54/50/60/331545060.db2.gz ZQLVUXLOXPMIQO-UHFFFAOYSA-N 1 0 313.423 0.764 40 0 DCABRO COCc1cn(C[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C(=O)NC2CC2)nn1 ZINC000008298521 545642011 /nfs/dbraw/zinc/64/20/11/545642011.db2.gz DVCRKHRAVJVYCM-GLQYFDAESA-N 1 0 319.409 0.414 40 0 biogenic,in-vitro DCABRO O[C@@H]1[C@@H](n2ccnc2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccccc1 ZINC000952844636 768908662 /nfs/dbraw/zinc/90/86/62/768908662.db2.gz DCICYRZNLVFZBX-DGXTUMSLSA-N 1 0 301.346 0.699 40 0 biogenic,in-vitro DCABRO C[C@@H]1C[NH2+]C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1 ZINC000095571601 185380552 /nfs/dbraw/zinc/38/05/52/185380552.db2.gz PYXRQSYDODFUOC-MWLCHTKSSA-N 1 0 303.366 0.794 40 0 DCABRO Cc1nc(C(=O)NCc2ncc[nH]2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000072365704 191136040 /nfs/dbraw/zinc/13/60/40/191136040.db2.gz QNYLFYRZXWCIGZ-LLVKDONJSA-N 1 0 300.366 0.905 40 0 DCABRO COCC(=O)NCCn1nc([C@@H]2CC[N@H+](C)C2)c2nccnc21 ZINC000072391641 191147765 /nfs/dbraw/zinc/14/77/65/191147765.db2.gz PLQIUEFRHKDZTN-LLVKDONJSA-N 1 0 318.381 0.008 40 0 DCABRO COC(=O)[C@@H](CCCC[NH3+])NS(=O)(=O)c1ccccc1 ZINC000006384798 181336403 /nfs/dbraw/zinc/33/64/03/181336403.db2.gz SUUIFOWVBIVHPB-GFCCVEGCSA-N 1 0 300.380 0.636 40 0 DCABRO C[NH+](C)[C@H]1CC2(CCN(C(=O)c3cnco3)CC2)OC[C@]1(C)O ZINC000257304117 203028274 /nfs/dbraw/zinc/02/82/74/203028274.db2.gz SKDSRTGMMGUAMY-ZFWWWQNUSA-N 1 0 323.393 0.751 40 0 DCABRO CC[NH+]1CCN(CC(=O)N2CCO[C@@H](c3nc(C)c[nH]3)C2)CC1 ZINC000257307071 203031256 /nfs/dbraw/zinc/03/12/56/203031256.db2.gz SXBZOIFBMAZJNE-CQSZACIVSA-N 1 0 321.425 0.256 40 0 DCABRO CCN(CC)S(=O)(=O)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257289856 203016572 /nfs/dbraw/zinc/01/65/72/203016572.db2.gz QALSSFDHSSMOJG-CYBMUJFWSA-N 1 0 305.444 0.106 40 0 DCABRO CN(C)C(=O)[C@]1(CCCc2ccccn2)CCN1C(=O)C[NH3+] ZINC000257319545 203042068 /nfs/dbraw/zinc/04/20/68/203042068.db2.gz VSZATWFZZZBBBP-INIZCTEOSA-N 1 0 304.394 0.422 40 0 DCABRO [NH3+]CCN1CCO[C@H](CC(=O)Nc2cccc(Cl)c2)C1=O ZINC000017032388 182069762 /nfs/dbraw/zinc/06/97/62/182069762.db2.gz LWHBHMFEVDDRMH-GFCCVEGCSA-N 1 0 311.769 0.855 40 0 DCABRO C[C@]1(NC(=S)NCCCCCC[NH3+])CCS(=O)(=O)C1 ZINC000040167852 183043370 /nfs/dbraw/zinc/04/33/70/183043370.db2.gz GEJKSDUZVNQXII-LBPRGKRZSA-N 1 0 307.485 0.547 40 0 DCABRO COC[C@]1(C[NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(C)(=O)=O ZINC000242495197 257120760 /nfs/dbraw/zinc/12/07/60/257120760.db2.gz FZKSKURBGOAIMN-BFHYXJOUSA-N 1 0 313.375 0.517 40 0 DCABRO C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)[C@@H]3CCCO3)CC[C@@H]21 ZINC000096185629 395747470 /nfs/dbraw/zinc/74/74/70/395747470.db2.gz UDARFPDYJFNEIJ-QPSCCSFWSA-N 1 0 319.409 0.378 40 0 DCABRO CS(=O)(=O)N[C@@H]1COC[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096185728 395747765 /nfs/dbraw/zinc/74/77/65/395747765.db2.gz BGRATRYUMSZSSK-WCFLWFBJSA-N 1 0 300.380 0.276 40 0 DCABRO CN(C)C(=O)[C@H]1C[C@]2(CO1)CCC[N@H+](Cc1cnn(C)c1)C2 ZINC000096048885 395740887 /nfs/dbraw/zinc/74/08/87/395740887.db2.gz KSNFBHPMOIJDER-GDBMZVCRSA-N 1 0 306.410 0.879 40 0 DCABRO Cn1cc(N2C[C@@]3(COCC[N@H+](CC4CC4)C3)OCC2=O)cn1 ZINC000096051443 395741737 /nfs/dbraw/zinc/74/17/37/395741737.db2.gz DWOYFQLXTFFMGT-INIZCTEOSA-N 1 0 320.393 0.264 40 0 DCABRO Cn1cc(C[C@H]2[C@H]([NH+](C)C)CCN2S(=O)(=O)C2CC2)cn1 ZINC000096200932 395748878 /nfs/dbraw/zinc/74/88/78/395748878.db2.gz CWIWHLIBJLBFOM-KGLIPLIRSA-N 1 0 312.439 0.459 40 0 DCABRO COCC[N@@H+]1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2cccnc2)C1 ZINC000096064901 395742423 /nfs/dbraw/zinc/74/24/23/395742423.db2.gz UMZIAYRTBUEGNL-ARFHVFGLSA-N 1 0 319.405 0.681 40 0 DCABRO CN1CCN(C(=O)[C@@H]2C[C@@H]3[C@@H](CC[N@@H+]3Cc3ccco3)O2)CC1 ZINC000096110708 395744881 /nfs/dbraw/zinc/74/48/81/395744881.db2.gz QRINQELWUBXTAP-OAGGEKHMSA-N 1 0 319.405 0.785 40 0 DCABRO COCCNC(=O)C[C@H]1C[C@H]2C[N@H+](Cc3ccncc3)C[C@H]2O1 ZINC000096207509 395749462 /nfs/dbraw/zinc/74/94/62/395749462.db2.gz OZWMSBARTOBKPE-ARFHVFGLSA-N 1 0 319.405 0.824 40 0 DCABRO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@]3(C(=O)N3CCCO3)C2)no1 ZINC000096208828 395749475 /nfs/dbraw/zinc/74/94/75/395749475.db2.gz MZZSMKHICFYTHB-IUODEOHRSA-N 1 0 307.350 0.595 40 0 DCABRO Cn1cc(CN2CCO[C@@H]3C[N@@H+](C4CCOCC4)C[C@@H]3C2)cn1 ZINC000096220711 395750408 /nfs/dbraw/zinc/75/04/08/395750408.db2.gz YCFVIEOKKZOYRG-DOTOQJQBSA-N 1 0 320.437 0.732 40 0 DCABRO Cn1nccc1CN1CCC2(CC(NS(=O)(=O)C3CC3)C2)C1 ZINC000108526542 395790076 /nfs/dbraw/zinc/79/00/76/395790076.db2.gz KEXSPFUWIVLBCN-UHFFFAOYSA-N 1 0 324.450 0.856 40 0 DCABRO C[NH2+]CC(=O)N1CC[C@H](O)[C@@H](Oc2cccc(OC)c2)CC1 ZINC000257206250 396036787 /nfs/dbraw/zinc/03/67/87/396036787.db2.gz BCPBPOQUMVQANK-GJZGRUSLSA-N 1 0 308.378 0.645 40 0 DCABRO CN(C)c1cc(C[C@@H]2C[NH2+]CCN(C3CCOCC3)C2)ncn1 ZINC000257237686 396041681 /nfs/dbraw/zinc/04/16/81/396041681.db2.gz HHPYKIRQVYDMIV-CQSZACIVSA-N 1 0 319.453 0.786 40 0 DCABRO CNC(=O)[C@H]1CN(C(=O)CCc2ccccc2F)CC[N@H+](C)C1 ZINC000257236266 396041774 /nfs/dbraw/zinc/04/17/74/396041774.db2.gz HBKHDVSKQRFWOT-CQSZACIVSA-N 1 0 321.396 0.895 40 0 DCABRO CC(C)[NH2+][C@@H]1CO[C@H](CNS(=O)(=O)c2ccccc2)[C@H]1O ZINC000077264593 396216347 /nfs/dbraw/zinc/21/63/47/396216347.db2.gz UXZWYVCWLDHLDX-MCIONIFRSA-N 1 0 314.407 0.091 40 0 biogenic,in-vitro DCABRO CNC(=O)C[N@@H+]1CCC[C@]12CC(C)(C)O[C@H]2CC(=O)N(C)C ZINC000585290819 396647202 /nfs/dbraw/zinc/64/72/02/396647202.db2.gz GWIAHHSMXPZSHW-BLLLJJGKSA-N 1 0 311.426 0.613 40 0 DCABRO CO[C@@H]1COC[C@@H]([N@H+](C)Cc2ccc3c(c2)OCCO3)[C@@H]1O ZINC000585290487 396647235 /nfs/dbraw/zinc/64/72/35/396647235.db2.gz DTODUBILCGYIJJ-WQVCFCJDSA-N 1 0 309.362 0.664 40 0 DCABRO CCC[N@@H+](Cc1[nH]c(CC)nc1C)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585291507 396648584 /nfs/dbraw/zinc/64/85/84/396648584.db2.gz PNYVRHQBLGYRTK-XPKDYRNWSA-N 1 0 311.426 0.861 40 0 DCABRO O=C1N(CC2CCCCC2)C[C@]12CCC[N@@H+](C[C@@H](O)CO)C2 ZINC000585099497 396638993 /nfs/dbraw/zinc/63/89/93/396638993.db2.gz OQSRXMOFBBNPDD-NVXWUHKLSA-N 1 0 310.438 0.844 40 0 DCABRO O=C1CO[C@H]2C[N@@H+](C3CCOCC3)C[C@H]2N1Cc1ccncc1 ZINC000067897138 415390352 /nfs/dbraw/zinc/39/03/52/415390352.db2.gz BKSYIHNEUGRYRN-CVEARBPZSA-N 1 0 317.389 0.672 40 0 biogenic,in-vitro DCABRO CN1C[C@@]2(CO[C@@H](C(=O)NCC[NH+](C)C)C2)c2ccccc21 ZINC000096262823 415575106 /nfs/dbraw/zinc/57/51/06/415575106.db2.gz GKQWKTVFGSJBKW-WBVHZDCISA-N 1 0 303.406 0.841 40 0 DCABRO O=C1CO[C@@]2(CN1c1cccnc1)COCC[N@H+](CC1CC1)C2 ZINC000096051353 415576183 /nfs/dbraw/zinc/57/61/83/415576183.db2.gz FNJCIWCQOMFBNJ-KRWDZBQOSA-N 1 0 317.389 0.926 40 0 DCABRO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)c2ccno2)CC1 ZINC000096227986 415577415 /nfs/dbraw/zinc/57/74/15/415577415.db2.gz YOWWQWMSFSXGLS-UHFFFAOYSA-N 1 0 320.393 0.833 40 0 DCABRO Cc1cnc(C(=O)N2CCc3ncc(C[NH+](C)C)n3CC2)cn1 ZINC000096196795 415578210 /nfs/dbraw/zinc/57/82/10/415578210.db2.gz UKLOTVJPXOVQIX-UHFFFAOYSA-N 1 0 314.393 0.742 40 0 DCABRO CN(C)C(=O)[C@@H]1C[C@]2(CO1)CCC[N@H+](Cc1cnn(C)c1)C2 ZINC000107732046 415671952 /nfs/dbraw/zinc/67/19/52/415671952.db2.gz KSNFBHPMOIJDER-GOEBONIOSA-N 1 0 306.410 0.879 40 0 DCABRO C[NH+](C)CCN1CC[C@@]2(CCCN(C(=O)[C@@H]3CCOC3)C2)C1=O ZINC000096073947 289156480 /nfs/dbraw/zinc/15/64/80/289156480.db2.gz TUKHRMPRMOQCCX-RHSMWYFYSA-N 1 0 323.437 0.426 40 0 DCABRO O=C1NC(=O)[C@@H]2[C@@H]1[C@H]1CCCC[N@@H+]1[C@@]21C(=O)Nc2ccccc21 ZINC000247947206 1183329207 /nfs/dbraw/zinc/32/92/07/1183329207.db2.gz RIMRKBFTWVRAFJ-ZOPJHEKZSA-N 1 0 311.341 0.591 40 0 DCABRO Cc1ccc(CN2C[C@@H](O)C[C@H]2c2nnc3n2CC[N@@H+](C)C3)o1 ZINC001772500930 1190701980 /nfs/dbraw/zinc/70/19/80/1190701980.db2.gz OOZZTZCBRCVFLO-JSGCOSHPSA-N 1 0 317.393 0.933 40 0 DCABRO O[C@@H]1[C@@H](n2cccn2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccncc1F ZINC000952844680 768908889 /nfs/dbraw/zinc/90/88/89/768908889.db2.gz GCCRUFLDDRIIST-ARILJUKYSA-N 1 0 320.324 0.233 40 0 biogenic,in-vitro DCABRO Cc1nccc(N2CCC3(CC2)OC(=O)N2CC[NH2+]C[C@@H]23)n1 ZINC001549161037 1014156397 /nfs/dbraw/zinc/15/63/97/1014156397.db2.gz JHGSLVKFFZOZLY-GFCCVEGCSA-N 1 0 303.366 0.548 40 0 DCABRO COCCC(=O)N1CCCC[C@H]1c1nnc2n1CC[N@@H+](C)C2 ZINC000072344097 191127084 /nfs/dbraw/zinc/12/70/84/191127084.db2.gz FMEFHCAEGGRQMT-LBPRGKRZSA-N 1 0 307.398 0.814 40 0 DCABRO COC(=O)C1[C@@H](c2ccc(OC)cc2)[C@H](C(=O)OC)O[N+]1=O ZINC000001590412 290929604 /nfs/dbraw/zinc/92/96/04/290929604.db2.gz MLHJRFGGXNOJGD-ZYHUDNBSSA-N 1 0 309.274 0.390 40 0 DCABRO Cc1cc(Nc2ncccn2)nc([C@@H]2CCN(C(=O)C[NH3+])C2)n1 ZINC000072382989 191143246 /nfs/dbraw/zinc/14/32/46/191143246.db2.gz LOVOBHYYERYHBL-LLVKDONJSA-N 1 0 313.365 0.593 40 0 DCABRO CO[C@H](C)[C@](O)(C(=O)OCC1=CC[N@@H+]2CC[C@@H](O)[C@H]12)C(C)C ZINC000003876048 181051841 /nfs/dbraw/zinc/05/18/41/181051841.db2.gz LMFKRLGHEKVMNT-UYHMYPTGSA-N 1 0 313.394 0.327 40 0 DCABRO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)C[NH+](CCO)CCO ZINC000006617317 181361651 /nfs/dbraw/zinc/36/16/51/181361651.db2.gz DDMGCGGKEMYWRP-KLZNWCGWSA-N 1 0 315.454 0.865 40 0 DCABRO O=C(Cn1nc2ccccc2n1)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257326588 203050151 /nfs/dbraw/zinc/05/01/51/203050151.db2.gz WXTOGUYWXUMCPS-HUUCEWRRSA-N 1 0 315.377 0.099 40 0 DCABRO Cc1cc(CC[C@H]2C[N@H+](CC3(O)CCOCC3)CCO2)ncn1 ZINC000257342872 203065487 /nfs/dbraw/zinc/06/54/87/203065487.db2.gz ZQLHBDBNVXNIEH-INIZCTEOSA-N 1 0 321.421 0.960 40 0 DCABRO O=C(NCCn1nc([C@@H]2CC[NH2+]C2)c2nccnc21)C1CCC1 ZINC000019404416 182121815 /nfs/dbraw/zinc/12/18/15/182121815.db2.gz MBQICMOKIGZIRW-GFCCVEGCSA-N 1 0 314.393 0.820 40 0 DCABRO OCC[NH+](CCO)C[C@@H](O)COCC[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000041690386 183217756 /nfs/dbraw/zinc/21/77/56/183217756.db2.gz IZBYPEFUOYFAOY-FXUDXRNXSA-N 1 0 301.427 0.477 40 0 DCABRO COc1ccc(CC(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000061524158 184172251 /nfs/dbraw/zinc/17/22/51/184172251.db2.gz SFYUHDLOSDMOCV-UHFFFAOYSA-N 1 0 305.422 0.991 40 0 DCABRO O=C([C@@H]1COC[C@H]2C[N@@H+](C3CCOCC3)C[C@H]21)N1CCCCO1 ZINC000096038644 256552585 /nfs/dbraw/zinc/55/25/85/256552585.db2.gz ROXOMTOWCWBGKY-FVQBIDKESA-N 1 0 324.421 0.914 40 0 DCABRO CCS(=O)(=O)[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@]1(C[NH3+])CO ZINC000242495427 257120271 /nfs/dbraw/zinc/12/02/71/257120271.db2.gz GFGHAPQXAMBNIF-MJBXVCDLSA-N 1 0 313.375 0.253 40 0 DCABRO CN1C(=O)c2cccnc2O[C@H]2C[N@H+](C3CCOCC3)C[C@H]21 ZINC000514290204 257215117 /nfs/dbraw/zinc/21/51/17/257215117.db2.gz VNKMAMUKHFHBRB-KGLIPLIRSA-N 1 0 303.362 0.778 40 0 biogenic,in-vitro DCABRO CCN(CC)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccccc2)[C@@H]1O ZINC000012483544 395687684 /nfs/dbraw/zinc/68/76/84/395687684.db2.gz IUIABSWASDNAEG-OVYGPGRDSA-N 1 0 306.406 0.971 40 0 biogenic,in-vitro DCABRO Cn1cccc1C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCCCC2)[C@H]1O ZINC000012529605 395687825 /nfs/dbraw/zinc/68/78/25/395687825.db2.gz GBQIZUAVGFSATM-OVYGPGRDSA-N 1 0 321.421 0.454 40 0 biogenic,in-vitro DCABRO CNc1cc(C[NH2+]C)nc([C@H]2CCCN2CC(=O)N(C)C)n1 ZINC000019760397 395690987 /nfs/dbraw/zinc/69/09/87/395690987.db2.gz QVBAAWYVGXYQHT-GFCCVEGCSA-N 1 0 306.414 0.463 40 0 DCABRO C[N@@H+]1[C@H]2C[C@H](O)[C@@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2 ZINC000002112569 395681266 /nfs/dbraw/zinc/68/12/66/395681266.db2.gz WTQYWNWRJNXDEG-LEOABGAYSA-N 1 0 305.374 0.902 40 0 world DCABRO CO[C@@H](C)[C@@](O)(C(=O)OCC1=CC[N@@H+]2CC[C@H](O)[C@@H]12)C(C)C ZINC000004245678 395682503 /nfs/dbraw/zinc/68/25/03/395682503.db2.gz LMFKRLGHEKVMNT-YYWXWVFPSA-N 1 0 313.394 0.327 40 0 in-vitro DCABRO COc1ccccc1NC(=O)C[NH2+]CCCN1CCOCC1 ZINC000035311504 395720355 /nfs/dbraw/zinc/72/03/55/395720355.db2.gz MTHUYSUZWXYPRG-UHFFFAOYSA-N 1 0 307.394 0.946 40 0 DCABRO CC(C)[N@@H+]1CCOC[C@@]2(CN(Cc3cnn(C)c3)CCO2)C1 ZINC000096049722 395740989 /nfs/dbraw/zinc/74/09/89/395740989.db2.gz NPBXRYUEAQZBOV-MRXNPFEDSA-N 1 0 308.426 0.732 40 0 DCABRO CN(C)C(=O)N1CCOC[C@@]2(C[C@@H](C[NH+]3CCCC3)CO2)C1 ZINC000096052048 395741692 /nfs/dbraw/zinc/74/16/92/395741692.db2.gz XMZKDOBLTGFUOH-GOEBONIOSA-N 1 0 311.426 0.871 40 0 DCABRO COCC[N@@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)NCc2ccccn2)C1 ZINC000096065599 395742610 /nfs/dbraw/zinc/74/26/10/395742610.db2.gz FVIMELCLNKEYQM-HRCADAONSA-N 1 0 319.405 0.681 40 0 DCABRO CS(=O)(=O)NC[C@H]1OC[C@H]2C[N@H+](Cc3ccoc3)CC[C@H]21 ZINC000096065615 395742685 /nfs/dbraw/zinc/74/26/85/395742685.db2.gz HEJADAYQXZLRFU-MGPQQGTHSA-N 1 0 314.407 0.666 40 0 DCABRO CN(c1ncccn1)[C@@H]1CO[C@@]2(CCN(C(=O)C[NH+](C)C)C2)C1 ZINC000096072874 395743509 /nfs/dbraw/zinc/74/35/09/395743509.db2.gz ZTNGFWUELNRGJV-BBRMVZONSA-N 1 0 319.409 0.234 40 0 DCABRO COCC[N@@H+]1C[C@H]2[C@@H](C1)N(c1cc(OC)ncn1)CC[C@H]2OC ZINC000096209656 395749501 /nfs/dbraw/zinc/74/95/01/395749501.db2.gz QCNGRAANXCFXPB-BFHYXJOUSA-N 1 0 322.409 0.657 40 0 DCABRO COCC(=O)NC[C@H]1CN(C2CCOCC2)Cc2cncn21 ZINC000247839002 395979649 /nfs/dbraw/zinc/97/96/49/395979649.db2.gz NEGPNWOCZIXZJA-AWEZNQCLSA-N 1 0 308.382 0.181 40 0 DCABRO CN1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4ccccc4NC3=O)[C@H]2C1=O ZINC000248008974 395981380 /nfs/dbraw/zinc/98/13/80/395981380.db2.gz DCRBRVDUGWUHLR-ZBYUQBLASA-N 1 0 311.341 0.543 40 0 DCABRO Cc1cc(N)cc([C@@H]2CN(C(=O)c3cnn(C)c3)CCO2)[nH+]1 ZINC000257217414 396038877 /nfs/dbraw/zinc/03/88/77/396038877.db2.gz CYVKSUBGBSUJOG-AWEZNQCLSA-N 1 0 301.350 0.919 40 0 DCABRO Cc1cc(N(C)C)nc([C@@H]2COCCN2C(=O)C[NH+](C)C)n1 ZINC000257230372 396040854 /nfs/dbraw/zinc/04/08/54/396040854.db2.gz GCAJVRJPLFPESW-LBPRGKRZSA-N 1 0 307.398 0.313 40 0 DCABRO CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1OCC(=O)N[C@@H]1c1ccccc1 ZINC000585286451 396646927 /nfs/dbraw/zinc/64/69/27/396646927.db2.gz YIYQVKHSUBFBEW-IJEWVQPXSA-N 1 0 319.405 0.732 40 0 DCABRO Cn1nccc1/C=C/C(=O)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000585289075 396647744 /nfs/dbraw/zinc/64/77/44/396647744.db2.gz FHEFIMARELSWES-JTWJQQFASA-N 1 0 318.421 0.927 40 0 DCABRO CCC[N@@H+]1CCO[C@]2(C1)COCCN(C(=O)C1CC(O)C1)C2 ZINC000585101547 396638999 /nfs/dbraw/zinc/63/89/99/396638999.db2.gz ODXCHZJSJZRRKP-XUJLQICISA-N 1 0 312.410 0.097 40 0 DCABRO O=C(C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CCC3)[C@@H](O)[C@H]2O1)NC1CC1 ZINC000604381026 397638579 /nfs/dbraw/zinc/63/85/79/397638579.db2.gz BYXQRNMCPKDNFU-HGYYMRRCSA-N 1 0 310.394 0.083 40 0 biogenic,in-vitro DCABRO CN1C[C@]2(CO[C@@H](C(=O)NCC[NH+](C)C)C2)c2ccccc21 ZINC000096262822 415577583 /nfs/dbraw/zinc/57/75/83/415577583.db2.gz GKQWKTVFGSJBKW-NVXWUHKLSA-N 1 0 303.406 0.841 40 0 DCABRO C[NH+](C)CCNc1nc(NC[C@@H]2CCCO2)cc(C2CC2)n1 ZINC000329065111 416148582 /nfs/dbraw/zinc/14/85/82/416148582.db2.gz XPRSALBBHJVLKA-ZDUSSCGKSA-N 1 0 305.426 0.762 40 0 DCABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[NH2+]C[C@H]2C3)cc1 ZINC000306134713 534179531 /nfs/dbraw/zinc/17/95/31/534179531.db2.gz NVVDWAXGKYUTEX-GHMZBOCLSA-N 1 0 313.361 0.931 40 0 DCABRO COCC1(O)CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000333599086 546086363 /nfs/dbraw/zinc/08/63/63/546086363.db2.gz CLDQNHPQALXCPN-UHFFFAOYSA-N 1 0 312.410 0.241 40 0 DCABRO COCc1cn(C[C@H]2OC[C@H](O)[C@H]2[NH2+]Cc2cccs2)nn1 ZINC001549159189 1014154116 /nfs/dbraw/zinc/15/41/16/1014154116.db2.gz IKHGVBWXOYOVHM-BFHYXJOUSA-N 1 0 324.406 0.404 40 0 DCABRO Cc1ccc[n+](CC[n+]2ccc(CCS(=O)(=O)[O-])cc2)c1 ZINC000003152761 180986774 /nfs/dbraw/zinc/98/67/74/180986774.db2.gz ACDQUMXEGAGRGK-UHFFFAOYSA-O 1 0 308.403 0.701 40 0 DCABRO CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H]1CCCO1)CC2 ZINC000096075256 283317482 /nfs/dbraw/zinc/31/74/82/283317482.db2.gz UEKPQWJEOXQYCO-CYBMUJFWSA-N 1 0 309.410 0.368 40 0 DCABRO O=C(Cn1cccn1)N[C@@H]1CCCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257275225 283884558 /nfs/dbraw/zinc/88/45/58/283884558.db2.gz NOKXTCYFEGVMJS-IIAWOOMASA-N 1 0 306.410 0.767 40 0 DCABRO CC(=O)NC[C@]1(O)C[N@H+](Cc2c(C)[nH]c3ccccc32)C[C@H]1O ZINC000257306731 203032573 /nfs/dbraw/zinc/03/25/73/203032573.db2.gz SVONZTSZXHOQKK-SJORKVTESA-N 1 0 317.389 0.520 40 0 DCABRO CC(C)(C(=O)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O)n1cncn1 ZINC000257321668 203044293 /nfs/dbraw/zinc/04/42/93/203044293.db2.gz WCROUCHEBDPYLS-MGPQQGTHSA-N 1 0 321.425 0.507 40 0 DCABRO COc1cccc(CC(=O)N2CC[N@H+](C)C[C@H](C(N)=O)C2)c1 ZINC000257327779 203050613 /nfs/dbraw/zinc/05/06/13/203050613.db2.gz XCSAFIOESPDFHQ-ZDUSSCGKSA-N 1 0 305.378 0.113 40 0 DCABRO COC[C@H]1CCC[N@@H+]1C[C@@H]1OC[C@H](NCc2ccccn2)[C@H]1O ZINC000514288962 257216526 /nfs/dbraw/zinc/21/65/26/257216526.db2.gz LOPWBLAUZZXYSD-LTIDMASMSA-N 1 0 321.421 0.410 40 0 biogenic,in-vitro DCABRO C[NH2+]Cc1cc(N(C)C)nc([C@H]2CCCN2C(=O)COC)n1 ZINC000019760793 395691190 /nfs/dbraw/zinc/69/11/90/395691190.db2.gz SBCQMZBQAJRZSB-GFCCVEGCSA-N 1 0 307.398 0.572 40 0 DCABRO CN(C)c1cc(NC[C@H]2CC[C@]3(C[NH2+]CCOC3)O2)ncn1 ZINC000096160692 395746779 /nfs/dbraw/zinc/74/67/79/395746779.db2.gz OBCPOJDJEPOULR-IUODEOHRSA-N 1 0 307.398 0.492 40 0 DCABRO COCCO[C@@H]1C[C@H]2CN(C(=O)c3cnccn3)CC[N@@H+]2C1 ZINC000096183204 395747101 /nfs/dbraw/zinc/74/71/01/395747101.db2.gz PSLPNSWBCGDBJI-QWHCGFSZSA-N 1 0 306.366 0.038 40 0 DCABRO COCCO[C@@H]1C[C@H]2CN(C(=O)c3cnc(C)cn3)CC[N@@H+]2C1 ZINC000096183201 395747135 /nfs/dbraw/zinc/74/71/35/395747135.db2.gz NZWVBSIOQBKHTB-UONOGXRCSA-N 1 0 320.393 0.347 40 0 DCABRO c1ncn(Cc2cnc3n2CC[N@@H+](C[C@@H]2CCOC2)CC3)n1 ZINC000096197007 395748477 /nfs/dbraw/zinc/74/84/77/395748477.db2.gz XMJFXIKEKCDRMC-ZDUSSCGKSA-N 1 0 302.382 0.418 40 0 DCABRO CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@@H+]([C@H]1CCOC1)CC2 ZINC000096067760 395742754 /nfs/dbraw/zinc/74/27/54/395742754.db2.gz AYYIAZMHFNLONU-AWEZNQCLSA-N 1 0 319.405 0.126 40 0 DCABRO CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1CCCO1)CC2 ZINC000096075255 395743337 /nfs/dbraw/zinc/74/33/37/395743337.db2.gz UEKPQWJEOXQYCO-ZDUSSCGKSA-N 1 0 309.410 0.368 40 0 DCABRO O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2C2CCOCC2)O1)N1CCOCC1 ZINC000096100505 395744528 /nfs/dbraw/zinc/74/45/28/395744528.db2.gz ANORAVCTGDRUPT-OAGGEKHMSA-N 1 0 324.421 0.646 40 0 DCABRO COCCO[C@H]1CC[N@H+]([C@H]2CCOC2)[C@H]1Cc1cnn(C)c1 ZINC000096200667 395748935 /nfs/dbraw/zinc/74/89/35/395748935.db2.gz SHHRFJPECMNSBP-JYJNAYRXSA-N 1 0 309.410 0.857 40 0 DCABRO COc1cc(N2CC[C@@H]([NH+](C)C)[C@@H]2Cc2cnn(C)c2)ncn1 ZINC000096200902 395749048 /nfs/dbraw/zinc/74/90/48/395749048.db2.gz LFQHRBOJKGQJPC-KGLIPLIRSA-N 1 0 316.409 0.970 40 0 DCABRO c1cnc(N2CC[C@@]3(C2)COCC[N@@H+]([C@H]2CCOC2)C3)nc1 ZINC000107781567 395785546 /nfs/dbraw/zinc/78/55/46/395785546.db2.gz OEHCKIAIXUUOGR-GOEBONIOSA-N 1 0 304.394 0.794 40 0 DCABRO CS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@]1([NH3+])CO ZINC000218195305 395842007 /nfs/dbraw/zinc/84/20/07/395842007.db2.gz QCSIBHHRBPDCHR-VWYCJHECSA-N 1 0 320.208 0.649 40 0 DCABRO CS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@]1([NH3+])CO ZINC000218195451 395842101 /nfs/dbraw/zinc/84/21/01/395842101.db2.gz QCSIBHHRBPDCHR-DCAQKATOSA-N 1 0 320.208 0.649 40 0 DCABRO [NH3+]CCOCCOCCOCCNC(=O)c1ccc(C=O)cc1 ZINC000220112483 395847775 /nfs/dbraw/zinc/84/77/75/395847775.db2.gz ALRACXWPHXUFRY-UHFFFAOYSA-N 1 0 324.377 0.237 40 0 DCABRO CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]C(C)C)[C@@H](O)[C@H]2O1 ZINC000225512011 395861494 /nfs/dbraw/zinc/86/14/94/395861494.db2.gz LVZKNIZJJXWBNN-PRSHDEELSA-N 1 0 300.399 0.185 40 0 biogenic,in-vitro DCABRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](NS(C)(=O)=O)[C@@H]3C2)cc1 ZINC000248105657 395982283 /nfs/dbraw/zinc/98/22/83/395982283.db2.gz OZNUCMHZNSNBLK-OAGGEKHMSA-N 1 0 324.446 0.991 40 0 DCABRO CN(C[C@@]1(O)CCN(c2ccccn2)C1)C(=O)Cn1ccnc1 ZINC000257200543 396036376 /nfs/dbraw/zinc/03/63/76/396036376.db2.gz ADSWVTWUXHFMNC-INIZCTEOSA-N 1 0 315.377 0.378 40 0 DCABRO Cn1c(=O)oc2ccc(C(=O)N3CC[C@](O)(C[NH+](C)C)C3)cc21 ZINC000257210252 396037728 /nfs/dbraw/zinc/03/77/28/396037728.db2.gz BTUVJZRWJBZOSP-INIZCTEOSA-N 1 0 319.361 0.270 40 0 DCABRO Cc1c(CCC(=O)N2CC[C@](O)(C[NH+]3CCCC3)C2)cnn1C ZINC000257230828 396040960 /nfs/dbraw/zinc/04/09/60/396040960.db2.gz GECGYEVTNQXCSU-KRWDZBQOSA-N 1 0 320.437 0.720 40 0 DCABRO Cn1ccnc1CNC(=O)[C@@H]1CN(c2ccc(F)cc2)CC[NH2+]1 ZINC000257237852 396041789 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O=C(NC[C@@H]1OCC(=O)N[C@@H]1c1ccccc1)C1CC[NH2+]CC1 ZINC000585285057 396646099 /nfs/dbraw/zinc/64/60/99/396646099.db2.gz LRYKFBZLKHLIPB-GOEBONIOSA-N 1 0 317.389 0.359 40 0 DCABRO CC(C)[NH2+]C[C@@]1(O)CCN(C(=O)Cc2ccccc2)C[C@@H]1O ZINC000585290663 396647414 /nfs/dbraw/zinc/64/74/14/396647414.db2.gz SLBRYZFICJBHFW-RDJZCZTQSA-N 1 0 306.406 0.551 40 0 DCABRO CC(C)NC(=O)c1cn2c(n1)[C@H](C)N(C(=O)CC[NH+](C)C)CC2 ZINC000585096495 396638612 /nfs/dbraw/zinc/63/86/12/396638612.db2.gz QHBOCBYPNIKOCX-LBPRGKRZSA-N 1 0 321.425 0.876 40 0 DCABRO COCC[N@@H+]1CCC[C@@]2(CN(c3ccc(=O)n(C)c3)C2=O)C1 ZINC000585099707 396639328 /nfs/dbraw/zinc/63/93/28/396639328.db2.gz ZABUAPXQWRXWAN-INIZCTEOSA-N 1 0 305.378 0.461 40 0 DCABRO COc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]cn3)C2=O)cc1 ZINC000105331273 415632808 /nfs/dbraw/zinc/63/28/08/415632808.db2.gz BTNCFGDKDXJXMS-CQSZACIVSA-N 1 0 314.345 0.883 40 0 DCABRO Cn1cc(CN2CCOC[C@@]3(C[C@@H](C[NH+](C)C)CO3)C2)cn1 ZINC000107738560 415673119 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ZINC000195534231 416326842 /nfs/dbraw/zinc/32/68/42/416326842.db2.gz VFUIFMLWKCLJDR-RRFJBIMHSA-N 1 0 305.422 0.942 40 0 DCABRO CS(=O)(=O)NCc1cnc2n1CC[N@@H+](Cc1ccco1)CC2 ZINC000096197014 278113615 /nfs/dbraw/zinc/11/36/15/278113615.db2.gz ZYMJTJSQACEOJO-UHFFFAOYSA-N 1 0 324.406 0.584 40 0 DCABRO C[NH+](C)C[C@@H]1CO[C@@]2(C1)COCCN(S(=O)(=O)C1CC1)C2 ZINC000096051966 289203465 /nfs/dbraw/zinc/20/34/65/289203465.db2.gz WNJRAANABOXWLF-TZMCWYRMSA-N 1 0 318.439 0.148 40 0 DCABRO OC[C@@H]1COCCN1C[C@H](O)COc1ccc(Cl)cc1 ZINC000247722555 341369481 /nfs/dbraw/zinc/36/94/81/341369481.db2.gz BSHYBLOBBYFJDO-OLZOCXBDSA-N 1 0 301.770 0.773 40 0 DCABRO C[NH+](C)CC1(O)CCN(c2ccc(S(C)(=O)=O)cn2)CC1 ZINC001548453370 1016352317 /nfs/dbraw/zinc/35/23/17/1016352317.db2.gz QGDGDFCOHFLLRT-UHFFFAOYSA-N 1 0 313.423 0.378 40 0 DCABRO COc1ccc(C(=O)NC(=S)NC[C@H](O)C[NH+](C)C)cc1 ZINC000005509060 181251025 /nfs/dbraw/zinc/25/10/25/181251025.db2.gz RGHYKILTPDOWCO-NSHDSACASA-N 1 0 311.407 0.222 40 0 DCABRO O=C(C[NH+]1CCCC1)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1O ZINC000257306495 203032842 /nfs/dbraw/zinc/03/28/42/203032842.db2.gz SUMLASPWIXNOHO-JHNDHUHGSA-N 1 0 320.389 0.140 40 0 DCABRO Cc1c(CCC(=O)N2CC[C@H](O)[C@@H]([NH+](C)C)CC2)cnn1C ZINC000257283265 203010142 /nfs/dbraw/zinc/01/01/42/203010142.db2.gz OXNQYEWGWOBPQK-GJZGRUSLSA-N 1 0 308.426 0.575 40 0 DCABRO C[NH+](C)C[C@@]1(O)CCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000257283615 203012635 /nfs/dbraw/zinc/01/26/35/203012635.db2.gz OZAHBMINPVVPMW-ZDUSSCGKSA-N 1 0 302.371 0.513 40 0 DCABRO CCN(CC)S(=O)(=O)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257289857 203015891 /nfs/dbraw/zinc/01/58/91/203015891.db2.gz QALSSFDHSSMOJG-ZDUSSCGKSA-N 1 0 305.444 0.106 40 0 DCABRO CNC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2nccn2C)c1 ZINC000257294631 203019133 /nfs/dbraw/zinc/01/91/33/203019133.db2.gz QUZRKVJHEKZXTQ-HNNXBMFYSA-N 1 0 313.405 0.926 40 0 DCABRO Cn1cnc(C(=O)NCc2nccnc2C2CC[NH+](C)CC2)c1 ZINC000257330489 203052996 /nfs/dbraw/zinc/05/29/96/203052996.db2.gz XOQVNRMZRJZWFH-UHFFFAOYSA-N 1 0 314.393 0.949 40 0 DCABRO COc1cccc(CC(=O)N2CC[N@H+](C)C[C@@H](C(N)=O)C2)c1 ZINC000257327778 203050577 /nfs/dbraw/zinc/05/05/77/203050577.db2.gz XCSAFIOESPDFHQ-CYBMUJFWSA-N 1 0 305.378 0.113 40 0 DCABRO Cc1noc(CNC(=O)c2ccccc2-n2cc(C[NH3+])cn2)n1 ZINC000257336728 203058131 /nfs/dbraw/zinc/05/81/31/203058131.db2.gz YPTLCAVNCUFYNV-UHFFFAOYSA-N 1 0 312.333 0.952 40 0 DCABRO O=C(N[C@H]1CO[C@@H](C[NH+]2CCC(F)(F)CC2)[C@@H]1O)C1CCC1 ZINC000514288729 257215967 /nfs/dbraw/zinc/21/59/67/257215967.db2.gz AAXQYSGFGSVMJR-RWMBFGLXSA-N 1 0 318.364 0.762 40 0 biogenic,in-vitro DCABRO Cn1cc([C@H]2CC(=O)NC23CC[NH+](C[C@H]2CCOC2)CC3)cn1 ZINC000096199826 395748826 /nfs/dbraw/zinc/74/88/26/395748826.db2.gz GAXZSCVLVICQGS-UKRRQHHQSA-N 1 0 318.421 0.895 40 0 DCABRO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccc[nH]1 ZINC000096186216 395748038 /nfs/dbraw/zinc/74/80/38/395748038.db2.gz JLRONZDSXJBAHQ-ZIAGYGMSSA-N 1 0 304.394 0.782 40 0 DCABRO CC(C)[N@@H+]1CCOC[C@]2(CN(S(=O)(=O)C3CC3)CCO2)C1 ZINC000096049763 395741715 /nfs/dbraw/zinc/74/17/15/395741715.db2.gz PURPFXFQISHGKL-CQSZACIVSA-N 1 0 318.439 0.290 40 0 DCABRO O=C1CO[C@]2(CN1c1cccnc1)COCC[N@H+](CC1CC1)C2 ZINC000096051352 395741722 /nfs/dbraw/zinc/74/17/22/395741722.db2.gz FNJCIWCQOMFBNJ-QGZVFWFLSA-N 1 0 317.389 0.926 40 0 DCABRO COCC[N@@H+]1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2ccco2)C1 ZINC000096064904 395742388 /nfs/dbraw/zinc/74/23/88/395742388.db2.gz SVBHFMZALVIMNR-RRFJBIMHSA-N 1 0 308.378 0.879 40 0 DCABRO c1ncc(OCc2nnc3n2CC[N@@H+](CC2CC2)CC3)cn1 ZINC000096084586 395743944 /nfs/dbraw/zinc/74/39/44/395743944.db2.gz IETSFHWKASGKCQ-UHFFFAOYSA-N 1 0 300.366 0.915 40 0 DCABRO CO[C@H]1CCN(C(=O)c2ccnn2C)[C@@H]2C[N@H+](CC3CC3)C[C@@H]21 ZINC000096109452 395745212 /nfs/dbraw/zinc/74/52/12/395745212.db2.gz NYFNJODLPHCYNQ-IMJJTQAJSA-N 1 0 318.421 0.991 40 0 DCABRO Cn1cc(N2C[C@@H]3C[N@H+](CC4CCOCC4)C[C@@H]3C2=O)cn1 ZINC000096245232 395751416 /nfs/dbraw/zinc/75/14/16/395751416.db2.gz AVYZXIMCSOHZFV-ZFWWWQNUSA-N 1 0 304.394 0.741 40 0 DCABRO CNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)Cc3ccsc3)C[C@H]2C1 ZINC000096246117 395751563 /nfs/dbraw/zinc/75/15/63/395751563.db2.gz PEVDRGFDOPELFZ-UONOGXRCSA-N 1 0 321.446 0.817 40 0 DCABRO O=C([C@H]1CN(c2ccc(F)cc2)CC[NH2+]1)N1CCC(CO)CC1 ZINC000257220406 396038643 /nfs/dbraw/zinc/03/86/43/396038643.db2.gz DKSDUDYRAPLNCG-MRXNPFEDSA-N 1 0 321.396 0.835 40 0 DCABRO O=C([C@@H]1CN(c2ccc(F)cc2)CC[NH2+]1)N1CCC(CO)CC1 ZINC000257220405 396038772 /nfs/dbraw/zinc/03/87/72/396038772.db2.gz DKSDUDYRAPLNCG-INIZCTEOSA-N 1 0 321.396 0.835 40 0 DCABRO CNC(=O)[C@H]1CN(Cc2ncc[nH]2)CC[N@@H+](C2CCOCC2)C1 ZINC000257224597 396040133 /nfs/dbraw/zinc/04/01/33/396040133.db2.gz FCMJRBOQCBVAMG-ZDUSSCGKSA-N 1 0 321.425 0.069 40 0 DCABRO Cn1nccc1CNC(=O)c1ccccc1-n1cc(C[NH3+])cn1 ZINC000257231154 396041162 /nfs/dbraw/zinc/04/11/62/396041162.db2.gz GFNSATYDKVXTLU-UHFFFAOYSA-N 1 0 310.361 0.995 40 0 DCABRO C[NH+](C)C[C@]1(O)CCN(C(=O)Cn2cnc3ccccc32)C1 ZINC000257235478 396041661 /nfs/dbraw/zinc/04/16/61/396041661.db2.gz GYAOSTMGEDBBBZ-MRXNPFEDSA-N 1 0 302.378 0.561 40 0 DCABRO CC(=O)NCCNC(=O)c1ccccc1-n1cc(C[NH3+])cn1 ZINC000257247767 396042369 /nfs/dbraw/zinc/04/23/69/396042369.db2.gz JAJLRZOHYYEUIC-UHFFFAOYSA-N 1 0 301.350 0.197 40 0 DCABRO CN(C[C@@]1(O)CCN(c2cccc3nccn32)C1)C(=O)CC[NH3+] ZINC000257249779 396043417 /nfs/dbraw/zinc/04/34/17/396043417.db2.gz JJSNUJFXHBQFNJ-INIZCTEOSA-N 1 0 317.393 0.083 40 0 DCABRO Cc1nc[nH]c1CN1CC[N@@H+](C2CCOCC2)C[C@@H](C(N)=O)C1 ZINC000257268700 396046313 /nfs/dbraw/zinc/04/63/13/396046313.db2.gz MMVBNGULIUZJCH-ZDUSSCGKSA-N 1 0 321.425 0.116 40 0 DCABRO NC(=O)C[C@@]1(O)COCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000585281065 396645225 /nfs/dbraw/zinc/64/52/25/396645225.db2.gz SFBXNSZBQBXEHU-KRWDZBQOSA-N 1 0 315.373 0.674 40 0 DCABRO CNC(=O)C[C@@]1(CO)CCCN1C(=O)C[N@H+](C)C1CCCC1 ZINC000585279632 396645436 /nfs/dbraw/zinc/64/54/36/396645436.db2.gz WKUVLUGPTMKOFO-MRXNPFEDSA-N 1 0 311.426 0.350 40 0 DCABRO O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N1CCC=C(F)C1 ZINC000333316672 415609345 /nfs/dbraw/zinc/60/93/45/415609345.db2.gz MKYUYHRHEKDCKK-UHFFFAOYSA-N 1 0 306.345 0.977 40 0 DCABRO Fc1cnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC000107197841 415660262 /nfs/dbraw/zinc/66/02/62/415660262.db2.gz IFZOVFMXGKXOTN-QWHCGFSZSA-N 1 0 316.340 0.748 40 0 DCABRO CN(C)C(=O)[C@@H]1C[C@@]2(CO1)CCC[N@H+](Cc1cnn(C)c1)C2 ZINC000107732052 415671427 /nfs/dbraw/zinc/67/14/27/415671427.db2.gz KSNFBHPMOIJDER-HOCLYGCPSA-N 1 0 306.410 0.879 40 0 DCABRO CC(=O)N1CCOC[C@]2(CC[C@H](C[NH2+]Cc3cccn3C)O2)C1 ZINC000306127575 416104911 /nfs/dbraw/zinc/10/49/11/416104911.db2.gz GCORNYRMGOKULO-SJORKVTESA-N 1 0 321.421 0.911 40 0 DCABRO CN(C)C(=O)[C@@H]1CN(C(=O)CCc2ccccc2)CCN1C ZINC000257286862 416335013 /nfs/dbraw/zinc/33/50/13/416335013.db2.gz PNJHBMZTPXPQDH-HNNXBMFYSA-N 1 0 303.406 0.850 40 0 DCABRO CNC(=O)[C@@]1(C)CN(C(=O)C2CC[NH+](C(C)C)CC2)CCO1 ZINC000257229130 416335095 /nfs/dbraw/zinc/33/50/95/416335095.db2.gz 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CC(C)[N@@H+]1CCN(C(=O)COc2ccccc2)[C@@H](C(N)=O)C1 ZINC000072350905 191128148 /nfs/dbraw/zinc/12/81/48/191128148.db2.gz IMMIPVGHUKQFAH-CQSZACIVSA-N 1 0 305.378 0.472 40 0 DCABRO Cn1ccnc1CNC(=O)[C@@H]1CN(c2cc[nH+]cc2)CCO1 ZINC000072366508 191134986 /nfs/dbraw/zinc/13/49/86/191134986.db2.gz IRZXFFROEQJNNM-ZDUSSCGKSA-N 1 0 301.350 0.337 40 0 DCABRO [NH3+]CC(=O)N1CCC[C@H](c2ccnc(Nc3cnccn3)n2)C1 ZINC000072382982 191142674 /nfs/dbraw/zinc/14/26/74/191142674.db2.gz BCQDGCGAPCYINB-NSHDSACASA-N 1 0 313.365 0.675 40 0 DCABRO [NH3+]CC(=O)N1CCC[C@H](Cc2ccc(N3CCCC3)nn2)C1 ZINC000072387252 191145150 /nfs/dbraw/zinc/14/51/50/191145150.db2.gz KRNWZRJCRIMNJU-CYBMUJFWSA-N 1 0 303.410 0.817 40 0 DCABRO CC(C)c1nnc(CCC(=O)N2CC[C@](O)(C[NH+](C)C)C2)o1 ZINC000257297826 203024050 /nfs/dbraw/zinc/02/40/50/203024050.db2.gz RIYASJXQRCYYEE-HNNXBMFYSA-N 1 0 310.398 0.651 40 0 DCABRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)CN2CCCC2=O)cc1 ZINC000257304110 203026957 /nfs/dbraw/zinc/02/69/57/203026957.db2.gz 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203037693 /nfs/dbraw/zinc/03/76/93/203037693.db2.gz UZAIEUYTMIKROR-GOSISDBHSA-N 1 0 317.433 0.964 40 0 DCABRO C[NH+](C)C[C@@]1(O)CCN(C(=O)C2=Cc3ccccc3OC2)C1 ZINC000257316033 203039866 /nfs/dbraw/zinc/03/98/66/203039866.db2.gz VDVSABVBIWIFCY-KRWDZBQOSA-N 1 0 302.374 0.987 40 0 DCABRO O=C1[C@H]2CCCN2c2ncccc2N1CC1(O)CC[NH2+]CC1 ZINC000019346550 285008068 /nfs/dbraw/zinc/00/80/68/285008068.db2.gz WYXXIHMZNVHQKI-CYBMUJFWSA-N 1 0 302.378 0.512 40 0 DCABRO CC(C)[N@@H+]1CCN(C(=O)c2cccc(N(C)C)c2)[C@@H](C(N)=O)C1 ZINC000257260555 256620289 /nfs/dbraw/zinc/62/02/89/256620289.db2.gz LDJJQWQLNVFZTQ-OAHLLOKOSA-N 1 0 318.421 0.773 40 0 DCABRO O[C@H]1[C@H](CN2CCOCC2)OC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000514289061 257216093 /nfs/dbraw/zinc/21/60/93/257216093.db2.gz MYSVVEQPOMJIQT-OKZBNKHCSA-N 1 0 318.417 0.204 40 0 biogenic,in-vitro DCABRO CC(C)C[N@@H+]1C[C@H]2C[C@@H](O)CN2C2(CN(C(=O)C(C)C)C2)C1 ZINC000514289902 257215353 /nfs/dbraw/zinc/21/53/53/257215353.db2.gz PUXCKSSIWVQPGI-HUUCEWRRSA-N 1 0 309.454 0.630 40 0 biogenic,in-vitro DCABRO C=C1NC(NN)=[NH+][C@@H](c2ccc(O)c(OC)c2)C1C(=O)OCC ZINC000033728453 395717732 /nfs/dbraw/zinc/71/77/32/395717732.db2.gz AZSSLESZYJSTAF-ZDUSSCGKSA-N 1 0 320.349 0.702 40 0 DCABRO COCC[N@@H+]1CCOC[C@]2(CC[C@H](Cn3ncccc3=O)O2)C1 ZINC000096160725 395746591 /nfs/dbraw/zinc/74/65/91/395746591.db2.gz AWOHEDNDROKMMM-ZBFHGGJFSA-N 1 0 323.393 0.140 40 0 DCABRO C[NH+](C)C[C@@H]1CC[C@]2(COCCN(C(=O)c3ccnnc3)C2)O1 ZINC000096160197 395746793 /nfs/dbraw/zinc/74/67/93/395746793.db2.gz AGZXWCRDUURJNE-HOCLYGCPSA-N 1 0 320.393 0.428 40 0 DCABRO O=C([C@@H]1COC[C@H]2C[N@@H+](C3CCOCC3)C[C@H]21)N1CCOCC1 ZINC000096064466 395742578 /nfs/dbraw/zinc/74/25/78/395742578.db2.gz BCSKODAOHVHTLK-FVQBIDKESA-N 1 0 324.421 0.219 40 0 DCABRO CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccnc1)C2 ZINC000096073541 395743132 /nfs/dbraw/zinc/74/31/32/395743132.db2.gz UHJXNMAQHYXALH-DOTOQJQBSA-N 1 0 319.405 0.968 40 0 DCABRO c1nc(C[NH+]2CCC3(C[C@H](N4CCOCC4)CO3)CC2)c[nH]1 ZINC000096074146 395743534 /nfs/dbraw/zinc/74/35/34/395743534.db2.gz XXESZDRZPBSXLL-HNNXBMFYSA-N 1 0 306.410 0.865 40 0 DCABRO COC(=O)CCC(=O)N1C[C@@H]2C[NH+](Cc3ccc[nH]3)C[C@H]2C1 ZINC000096080933 395743853 /nfs/dbraw/zinc/74/38/53/395743853.db2.gz KQCLUGXKMPZQQX-STQMWFEESA-N 1 0 305.378 0.858 40 0 DCABRO Cn1cc(N2CC[C@@H]3C[N@@H+](C4CCOCC4)C[C@H]3C2=O)cn1 ZINC000096082118 395743856 /nfs/dbraw/zinc/74/38/56/395743856.db2.gz CMQLDLMAOHAELW-IUODEOHRSA-N 1 0 304.394 0.884 40 0 DCABRO Cn1cc(N2C[C@]3(CC[N@H+](CC4CC4)C3)N(C)CC2=O)cn1 ZINC000096230548 395751039 /nfs/dbraw/zinc/75/10/39/395751039.db2.gz XIJGLEXMACFGQY-MRXNPFEDSA-N 1 0 303.410 0.553 40 0 DCABRO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1=O ZINC000096249054 395751836 /nfs/dbraw/zinc/75/18/36/395751836.db2.gz BGDQKXNVFCGBMI-ZFWWWQNUSA-N 1 0 316.405 0.450 40 0 DCABRO CN1CCN(Cc2nc(C3(O)CC[NH+](C)CC3)cs2)CC1 ZINC000225471754 395860474 /nfs/dbraw/zinc/86/04/74/395860474.db2.gz SGQHUVFKCYVVBC-UHFFFAOYSA-N 1 0 310.467 0.804 40 0 biogenic,in-vitro 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0 DCABRO C[NH2+]CC(=O)N1CCC[C@@H]1c1cncc(CCC(=O)N(C)C)n1 ZINC000072367002 191137621 /nfs/dbraw/zinc/13/76/21/191137621.db2.gz BVHYDGFGWIYKJU-CQSZACIVSA-N 1 0 319.409 0.380 40 0 DCABRO O=S1(=O)CCN(c2cncc(C[C@H]3CCC[NH2+]CC3)n2)CC1 ZINC000257210074 202946978 /nfs/dbraw/zinc/94/69/78/202946978.db2.gz BTAQKFASGOPQPR-ZDUSSCGKSA-N 1 0 324.450 0.644 40 0 DCABRO C[NH2+]CC(=O)N1CCC[C@H]1c1cccc(CN2CCOCC2)n1 ZINC000257276616 203003815 /nfs/dbraw/zinc/00/38/15/203003815.db2.gz NUMPXZISWHCYBG-INIZCTEOSA-N 1 0 318.421 0.797 40 0 DCABRO O=C(COc1cccc(F)c1)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257318439 203043701 /nfs/dbraw/zinc/04/37/01/203043701.db2.gz VNXOJTADHABJEZ-HUUCEWRRSA-N 1 0 308.353 0.872 40 0 DCABRO COCCC(=O)N1CC[N@H+](CCc2ccccc2)C[C@@H]1C(N)=O ZINC000257337924 203060476 /nfs/dbraw/zinc/06/04/76/203060476.db2.gz YVAXODFTTABQSK-OAHLLOKOSA-N 1 0 319.405 0.264 40 0 DCABRO COc1ccc(N2C(=O)C(Cl)=C(N3CC[NH2+]CC3)C2=O)cc1 ZINC000019792837 182150252 /nfs/dbraw/zinc/15/02/52/182150252.db2.gz 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314.407 0.666 40 0 DCABRO CN(C)C(=O)[C@H]1C[C@@]2(CO1)CCC[N@H+](Cc1cnn(C)c1)C2 ZINC000096048884 395740841 /nfs/dbraw/zinc/74/08/41/395740841.db2.gz KSNFBHPMOIJDER-ZBFHGGJFSA-N 1 0 306.410 0.879 40 0 DCABRO CN(C)C(=O)C[N@@H+]1C[C@H]2CCCN(Cc3cnn(C)c3)[C@H]2C1 ZINC000096054173 395741352 /nfs/dbraw/zinc/74/13/52/395741352.db2.gz VFLKZEOPZUCQIS-CABCVRRESA-N 1 0 305.426 0.405 40 0 DCABRO CCS(=O)(=O)N1CCOC[C@@]2(C[C@H](C[NH+](C)C)CO2)C1 ZINC000096051962 395741390 /nfs/dbraw/zinc/74/13/90/395741390.db2.gz LTSKRXLKDNVJON-CHWSQXEVSA-N 1 0 306.428 0.005 40 0 DCABRO CNC(=O)[C@@H]1C[C@H]2C[N@H+](Cc3ccc(OC)cc3)C[C@H]2N1C ZINC000096054209 395741629 /nfs/dbraw/zinc/74/16/29/395741629.db2.gz HTJRBZXBASHHHV-CWRNSKLLSA-N 1 0 303.406 0.946 40 0 DCABRO Cn1cc(-c2nnn3c2CO[C@H](C[NH2+]Cc2ccco2)C3)cn1 ZINC000096061005 395742200 /nfs/dbraw/zinc/74/22/00/395742200.db2.gz VGXCPMCCOGLPOX-CYBMUJFWSA-N 1 0 314.349 0.960 40 0 DCABRO CNC(=O)CO[C@@H]1CO[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC000096072285 395742973 /nfs/dbraw/zinc/74/29/73/395742973.db2.gz DWAMMAXUTMHNIJ-GOEBONIOSA-N 1 0 305.378 0.578 40 0 DCABRO C[NH+](C)CC(=O)N1C[C@@H]2COC[C@]2(c2nnc(C3CC3)o2)C1 ZINC000096207091 395749506 /nfs/dbraw/zinc/74/95/06/395749506.db2.gz UHNWYJSQWSRNBI-IAQYHMDHSA-N 1 0 306.366 0.235 40 0 DCABRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(S(C)(=O)=O)C2 ZINC000096209765 395749750 /nfs/dbraw/zinc/74/97/50/395749750.db2.gz NHWXIRHCGNQYCO-UONOGXRCSA-N 1 0 302.440 0.626 40 0 DCABRO COCC[N@@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1cc(C)on1)CC[C@H]2OC ZINC000096217551 395749757 /nfs/dbraw/zinc/74/97/57/395749757.db2.gz WJAYMZLDQOTKMS-NWANDNLSSA-N 1 0 323.393 0.791 40 0 DCABRO OCC[N@@H+]1CCOC[C@]2(C[C@H](CNc3ccccn3)CO2)C1 ZINC000096240674 395751131 /nfs/dbraw/zinc/75/11/31/395751131.db2.gz WCVQPAPZPRKBSH-ZBFHGGJFSA-N 1 0 307.394 0.593 40 0 DCABRO C[NH+](C)C[C@]1(O)CCN(S(=O)(=O)c2ccccc2F)C1 ZINC000257229891 396040814 /nfs/dbraw/zinc/04/08/14/396040814.db2.gz FZWQEKDEBYUUBP-CYBMUJFWSA-N 1 0 302.371 0.513 40 0 DCABRO C[NH+](C)C[C@@]1(O)CCN(S(=O)(=O)c2ccccc2F)C1 ZINC000257229892 396040995 /nfs/dbraw/zinc/04/09/95/396040995.db2.gz FZWQEKDEBYUUBP-ZDUSSCGKSA-N 1 0 302.371 0.513 40 0 DCABRO [NH3+]CCc1ccc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1 ZINC000257228247 396041029 /nfs/dbraw/zinc/04/10/29/396041029.db2.gz FTBKMHXCNGZWFF-RDJZCZTQSA-N 1 0 304.390 0.944 40 0 DCABRO C[NH+](C)C[C@@]1(O)CCN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000257261460 396044190 /nfs/dbraw/zinc/04/41/90/396044190.db2.gz LHKHHZPQIROQDA-ZDUSSCGKSA-N 1 0 302.371 0.513 40 0 DCABRO C[NH+](C)C[C@]1(O)CCN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000257261459 396044400 /nfs/dbraw/zinc/04/44/00/396044400.db2.gz LHKHHZPQIROQDA-CYBMUJFWSA-N 1 0 302.371 0.513 40 0 DCABRO Cc1ccccc1OC[C@@]1(O)COCC[N@H+](CCC(N)=O)C1 ZINC000585275204 396642715 /nfs/dbraw/zinc/64/27/15/396642715.db2.gz ACTDDBXFSBYZEV-INIZCTEOSA-N 1 0 308.378 0.313 40 0 DCABRO Cc1ccccc1C[C@@]1(CO)CN(C(=O)C[NH+](C)C)CCO1 ZINC000585276043 396642941 /nfs/dbraw/zinc/64/29/41/396642941.db2.gz LMPRFKPQZXQTDS-KRWDZBQOSA-N 1 0 306.406 0.689 40 0 DCABRO O=C(Cc1ccccc1)N1CC[C@](O)(C[NH2+]CC2CC2)[C@@H](O)C1 ZINC000585284330 396646287 /nfs/dbraw/zinc/64/62/87/396646287.db2.gz JTKHEBXRLWOXPR-WMZOPIPTSA-N 1 0 318.417 0.553 40 0 DCABRO Cc1noc(CC(=O)N2Cc3ccnn3CC[C@@H]2C[NH+](C)C)n1 ZINC000585098121 396639255 /nfs/dbraw/zinc/63/92/55/396639255.db2.gz UIPWAJYCPDMEQF-GFCCVEGCSA-N 1 0 318.381 0.480 40 0 DCABRO Cc1noc(CC(=O)N2C[C@@H]3C[N@H+](CC(C)C)CCO[C@@H]3C2)n1 ZINC000585108017 396639965 /nfs/dbraw/zinc/63/99/65/396639965.db2.gz VRFMTSSTRCYIQP-UONOGXRCSA-N 1 0 322.409 0.736 40 0 DCABRO O=C1CO[C@H]2CN(Cc3ncc[nH]3)C[C@H]2N1Cc1cccnc1 ZINC000067897136 415391041 /nfs/dbraw/zinc/39/10/41/415391041.db2.gz RGPPJWYSUNVLHE-KGLIPLIRSA-N 1 0 313.361 0.417 40 0 biogenic,in-vitro DCABRO OCCNc1nc(NCCC2CC[NH2+]CC2)cc(C2CC2)[nH+]1 ZINC000329040803 416146352 /nfs/dbraw/zinc/14/63/52/416146352.db2.gz SFURFVOHKFDMKF-UHFFFAOYSA-N 1 0 305.426 0.404 40 0 DCABRO O=S1(=O)C[C@@H](O)[C@H](NCC[NH2+]Cc2ccccc2Cl)C1 ZINC000575421781 417534502 /nfs/dbraw/zinc/53/45/02/417534502.db2.gz RMBVIRZBMXFHFS-CHWSQXEVSA-N 1 0 318.826 0.177 40 0 DCABRO CCS(=O)(=O)c1ccc(N2C(=N)NC(=[NH2+])NC2(C)C)cc1 ZINC000001842840 276393713 /nfs/dbraw/zinc/39/37/13/276393713.db2.gz NQZRQFQJBBBTGR-UHFFFAOYSA-N 1 0 309.395 0.666 40 0 DCABRO CN(C)C(=O)CCc1cncc([C@H]2CCCN2C(=O)C[NH3+])n1 ZINC000072366610 288952510 /nfs/dbraw/zinc/95/25/10/288952510.db2.gz ZYCSRULOQVHOHO-CYBMUJFWSA-N 1 0 305.382 0.120 40 0 DCABRO C[NH+](C)C[C@H]1CO[C@@]2(C1)COCCN(S(=O)(=O)C1CC1)C2 ZINC000096051965 289218819 /nfs/dbraw/zinc/21/88/19/289218819.db2.gz WNJRAANABOXWLF-GXTWGEPZSA-N 1 0 318.439 0.148 40 0 DCABRO CC(=O)N1CCOC[C@@]2(CC[C@@H](C[NH2+]Cc3ccncc3)O2)C1 ZINC000306131276 526639022 /nfs/dbraw/zinc/63/90/22/526639022.db2.gz JZXDOBCPBIRXKS-DLBZAZTESA-N 1 0 319.405 0.968 40 0 DCABRO Nc1cccc(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000262082144 527513094 /nfs/dbraw/zinc/51/30/94/527513094.db2.gz TWLXRQJCXDDZAL-JTQLQIEISA-N 1 0 317.315 0.230 40 0 DCABRO CC(C)C[NH2+]Cc1nc(C2CCN(S(C)(=O)=O)CC2)no1 ZINC001772495353 1190701932 /nfs/dbraw/zinc/70/19/32/1190701932.db2.gz SORVABXTVZPJJH-UHFFFAOYSA-N 1 0 316.427 0.954 40 0 DCABRO O=C1OC2(CCN(c3ccc(F)cn3)CC2)[C@@H]2C[NH2+]CCN12 ZINC001549160084 1014157670 /nfs/dbraw/zinc/15/76/70/1014157670.db2.gz AEGLFLAEIDHIPW-LBPRGKRZSA-N 1 0 306.341 0.984 40 0 DCABRO C[NH+](C)C[C@H]1CO[C@]2(C1)COCCN(C(=O)N1CCCC1)C2 ZINC000096051971 282141543 /nfs/dbraw/zinc/14/15/43/282141543.db2.gz XGHDQXHFQOZUQA-HOCLYGCPSA-N 1 0 311.426 0.871 40 0 DCABRO Cn1c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2sc1=O ZINC000225676836 186288879 /nfs/dbraw/zinc/28/88/79/186288879.db2.gz AEJIUGJGQJESHC-UHFFFAOYSA-N 1 0 315.420 0.440 40 0 DCABRO COc1cccc(N2CCO[C@@H](C(=O)NCC[NH+](C)C)C2)c1 ZINC000072356792 191130317 /nfs/dbraw/zinc/13/03/17/191130317.db2.gz RMGQTNIEHCSJLL-OAHLLOKOSA-N 1 0 307.394 0.578 40 0 DCABRO Cc1nc(Nc2ncccn2)cc([C@H]2CCCN2C(=O)C[NH3+])n1 ZINC000072360892 191131227 /nfs/dbraw/zinc/13/12/27/191131227.db2.gz LWMMRKSVGCHEQT-GFCCVEGCSA-N 1 0 313.365 0.941 40 0 DCABRO C[C@]1(C(=O)N2CCOCC2)C[N@H+](CC2CCOCC2)CCO1 ZINC000072379827 191142366 /nfs/dbraw/zinc/14/23/66/191142366.db2.gz QXMZEDRJMHIVIE-MRXNPFEDSA-N 1 0 312.410 0.363 40 0 DCABRO CC(=O)N1CCCN(c2cc([C@@H]3C[NH2+]CCO3)nc(C)n2)CC1 ZINC000072387185 191144984 /nfs/dbraw/zinc/14/49/84/191144984.db2.gz BQBCFQXLFDCRMO-HNNXBMFYSA-N 1 0 319.409 0.505 40 0 DCABRO O=C(CN1CCCCCC1=O)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257267689 202996442 /nfs/dbraw/zinc/99/64/42/202996442.db2.gz MIJZFTBDKQGMOJ-KRWDZBQOSA-N 1 0 323.437 0.448 40 0 DCABRO C[NH2+][C@@H]1CO[C@@H]2CCN(C(=O)c3ocnc3C)C[C@@H]2C[C@@]1(C)O ZINC000257306316 203033001 /nfs/dbraw/zinc/03/30/01/203033001.db2.gz STUNKSSPDIEAQK-VPWBDBDCSA-N 1 0 323.393 0.573 40 0 DCABRO Cn1nc(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)cc1C(F)(F)F ZINC000257310144 203034439 /nfs/dbraw/zinc/03/44/39/203034439.db2.gz UDVQKERCHAJJPI-GFCCVEGCSA-N 1 0 320.315 0.578 40 0 DCABRO [NH3+]CC(=O)N1CCC[C@H](c2cncc(Nc3cnccn3)n2)C1 ZINC000257279143 203008950 /nfs/dbraw/zinc/00/89/50/203008950.db2.gz OFECIFZSTWOVBT-NSHDSACASA-N 1 0 313.365 0.675 40 0 DCABRO C[N@@H+]1CCN(C(=O)c2ccc(F)c(Cl)c2)C[C@@H](C(N)=O)C1 ZINC000257284566 203012766 /nfs/dbraw/zinc/01/27/66/203012766.db2.gz PDEWBWHXSNDDPD-JTQLQIEISA-N 1 0 313.760 0.968 40 0 DCABRO CN(CCO)C(=O)c1cc([C@@H]2C[NH2+]CCO2)nc2ccccc21 ZINC000257290236 203015716 /nfs/dbraw/zinc/01/57/16/203015716.db2.gz QCCZYCVONBDPOZ-INIZCTEOSA-N 1 0 315.373 0.960 40 0 DCABRO CN(C)CC[NH2+]Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000019823991 182154242 /nfs/dbraw/zinc/15/42/42/182154242.db2.gz OCSBYTIBEGXAFY-UHFFFAOYSA-N 1 0 303.362 0.951 40 0 DCABRO CS(=O)(=O)NC[C@H]1Cn2nccc2C[N@H+](CC2CCC2)C1 ZINC000306127651 533409131 /nfs/dbraw/zinc/40/91/31/533409131.db2.gz GEBKAPBVPCJRRJ-CYBMUJFWSA-N 1 0 312.439 0.664 40 0 DCABRO NNc1cc(N2CCOCC2)nc(OCCc2ccccn2)[nH+]1 ZINC000000033983 134426313 /nfs/dbraw/zinc/42/63/13/134426313.db2.gz WXUFSUOATCYYET-UHFFFAOYSA-N 1 0 316.365 0.615 40 0 DCABRO Cc1ccc(=O)n(CC2(O)CC[NH+](Cc3cnn(C)c3)CC2)n1 ZINC000013226933 395688407 /nfs/dbraw/zinc/68/84/07/395688407.db2.gz MXIWUGYBTQCSGH-UHFFFAOYSA-N 1 0 317.393 0.312 40 0 DCABRO COC(=O)[C@H]1C[C@@H](C2CCN(S(C)(=O)=O)CC2)[N@H+](C)C1 ZINC000019587777 395691082 /nfs/dbraw/zinc/69/10/82/395691082.db2.gz BKFSDAWHFIXDMJ-RYUDHWBXSA-N 1 0 304.412 0.151 40 0 DCABRO CNC(=O)COc1ccccc1OC[C@H](O)C[NH2+]C(C)(C)C ZINC000000000131 395679707 /nfs/dbraw/zinc/67/97/07/395679707.db2.gz UWCBNAVPISMFJZ-GFCCVEGCSA-N 1 0 310.394 0.939 40 0 in-man DCABRO COc1ccc(C)cc1NC(=O)C[NH2+]CCN1CCOCC1 ZINC000035311405 395720035 /nfs/dbraw/zinc/72/00/35/395720035.db2.gz FXXWGHROPCVMHP-UHFFFAOYSA-N 1 0 307.394 0.864 40 0 DCABRO O=C(N1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1)N1CCOCC1 ZINC000096161519 395746770 /nfs/dbraw/zinc/74/67/70/395746770.db2.gz WGWHIFYLBRNONL-IYBDPMFKSA-N 1 0 316.405 0.897 40 0 DCABRO C(C1CC1)[N@@H+]1CCOC[C@]2(CC[C@H](CN3CCOCC3)O2)C1 ZINC000096052369 395741693 /nfs/dbraw/zinc/74/16/93/395741693.db2.gz IFRHBCQUXJFFCV-SJORKVTESA-N 1 0 310.438 0.979 40 0 DCABRO C[NH+](C)CC(=O)N1CC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC000096209485 395749518 /nfs/dbraw/zinc/74/95/18/395749518.db2.gz BYLCZYRSLXPSTK-RDJZCZTQSA-N 1 0 319.405 0.920 40 0 DCABRO CN(C)C(=O)C[NH+]1CCC2(C[C@@H](Nc3ncccn3)CO2)CC1 ZINC000096221661 395750189 /nfs/dbraw/zinc/75/01/89/395750189.db2.gz VZANFQQPPWGLAP-CYBMUJFWSA-N 1 0 319.409 0.600 40 0 DCABRO CN1CCN(CCO)C(=O)C12CC[NH+](Cc1ccsc1)CC2 ZINC000096230090 395750594 /nfs/dbraw/zinc/75/05/94/395750594.db2.gz CILZNVVRNAKIRL-UHFFFAOYSA-N 1 0 323.462 0.849 40 0 DCABRO C[NH+](C)CCN1CCO[C@H]2CCN(C(=O)c3ccc[nH]3)CC[C@@H]21 ZINC000096249269 395752140 /nfs/dbraw/zinc/75/21/40/395752140.db2.gz GHWSSYHBBSJLMA-HOTGVXAUSA-N 1 0 320.437 0.882 40 0 DCABRO CCS(=O)(=O)N1CCOC[C@@]2(C[C@@H](C[NH+](C)C)CO2)C1 ZINC000107738605 395785871 /nfs/dbraw/zinc/78/58/71/395785871.db2.gz LTSKRXLKDNVJON-QWHCGFSZSA-N 1 0 306.428 0.005 40 0 DCABRO COCCN1CCO[C@H]2CCN(C(=O)c3ccc[nH]3)CC[C@H]21 ZINC000247831743 395979715 /nfs/dbraw/zinc/97/97/15/395979715.db2.gz HSGYAVCDYYRATL-CABCVRRESA-N 1 0 307.394 0.967 40 0 DCABRO Nc1cc(CC[C@@H]2CN(C(=O)c3ccnnc3)CCO2)cc[nH+]1 ZINC000257216628 396038845 /nfs/dbraw/zinc/03/88/45/396038845.db2.gz CVLCLUCKNBZSHC-CQSZACIVSA-N 1 0 313.361 0.928 40 0 DCABRO Cc1ccc(S(=O)(=O)N2C[C@@H](O)[C@H]([NH+]3CCCC3)C2)cc1 ZINC000257222834 396039627 /nfs/dbraw/zinc/03/96/27/396039627.db2.gz DUVPXFVOUVLGPH-HUUCEWRRSA-N 1 0 310.419 0.825 40 0 DCABRO O=C(N[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1O)c1cnc[nH]1 ZINC000257235634 396041667 /nfs/dbraw/zinc/04/16/67/396041667.db2.gz GYSHVAONRWJUNT-HZPDHXFCSA-N 1 0 314.389 0.817 40 0 DCABRO CNC(=O)c1c[nH]nc1[C@@H]1CC[N@H+](Cc2cn(C)nc2C)C1 ZINC000257246227 396042734 /nfs/dbraw/zinc/04/27/34/396042734.db2.gz ITEGRZYCSBJRRV-LLVKDONJSA-N 1 0 302.382 0.801 40 0 DCABRO CN(C)C(=O)c1cccc(C2CC[NH+]([C@H]3COC[C@H]3O)CC2)n1 ZINC000257250502 396043296 /nfs/dbraw/zinc/04/32/96/396043296.db2.gz JMTYXITYQJLFHZ-JKSUJKDBSA-N 1 0 319.405 0.723 40 0 DCABRO CN(C(=O)c1ccnn1C)[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257268529 396045517 /nfs/dbraw/zinc/04/55/17/396045517.db2.gz MMCWYSJOFRVJGN-UMVBOHGHSA-N 1 0 306.410 0.870 40 0 DCABRO CNC(=O)C[C@]1(CO)CCCN1C(=O)C[N@H+](C)C1CCCC1 ZINC000585279629 396645542 /nfs/dbraw/zinc/64/55/42/396645542.db2.gz WKUVLUGPTMKOFO-INIZCTEOSA-N 1 0 311.426 0.350 40 0 DCABRO O=C1CO[C@H]2C[N@@H+](CC3(O)CCCC3)C[C@@H]2N1C1CCOCC1 ZINC000585282326 396646216 /nfs/dbraw/zinc/64/62/16/396646216.db2.gz DNAKWNLFXCWXBL-GJZGRUSLSA-N 1 0 324.421 0.382 40 0 DCABRO COC[C@H]1CC2(C[N@@H+]1C)CCN(C(=O)Cc1ccn(C)n1)CC2 ZINC000585103865 396639035 /nfs/dbraw/zinc/63/90/35/396639035.db2.gz SNUDEAVQTBGXHU-OAHLLOKOSA-N 1 0 320.437 0.922 40 0 DCABRO Cn1nnc2c1[C@H](COCC[NH+](C)C)CN(C(=O)CC1CC1)C2 ZINC000096045461 415578065 /nfs/dbraw/zinc/57/80/65/415578065.db2.gz CFWGROHUAIYUJX-ZDUSSCGKSA-N 1 0 321.425 0.619 40 0 DCABRO COCC[N@H+]1C[C@@H](NC(=O)c2ccncc2)[C@H]2OCCC[C@H]2C1 ZINC000097953485 415588949 /nfs/dbraw/zinc/58/89/49/415588949.db2.gz FIRGXWDQJVRHGI-XHSDSOJGSA-N 1 0 319.405 0.937 40 0 DCABRO O=C(Cn1cc(Cl)cn1)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257261261 416335162 /nfs/dbraw/zinc/33/51/62/416335162.db2.gz LGLNIISVHNGNOJ-AWEZNQCLSA-N 1 0 312.801 0.596 40 0 DCABRO CCn1cc(C[N@@H+]2CC[C@H](c3n[nH]cc3C(=O)NC)C2)cn1 ZINC000257291668 416335256 /nfs/dbraw/zinc/33/52/56/416335256.db2.gz QICGPAOZNXEXBA-LBPRGKRZSA-N 1 0 302.382 0.975 40 0 DCABRO CC(=O)N1CCO[C@](C)(C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000257256962 278050300 /nfs/dbraw/zinc/05/03/00/278050300.db2.gz KNNWLBVNGQCQNR-KRWDZBQOSA-N 1 0 323.437 0.711 40 0 DCABRO Cc1nccc(N2CCC3(CC2)OC(=O)N2CC[NH2+]C[C@H]23)n1 ZINC001549161042 1014157549 /nfs/dbraw/zinc/15/75/49/1014157549.db2.gz JHGSLVKFFZOZLY-LBPRGKRZSA-N 1 0 303.366 0.548 40 0 DCABRO CNC(=O)[C@H]1CN(C(=O)Cc2ccccc2C)CC[N@H+](C)C1 ZINC000257272813 203000869 /nfs/dbraw/zinc/00/08/69/203000869.db2.gz NDZDRAZVMOCISB-OAHLLOKOSA-N 1 0 303.406 0.674 40 0 DCABRO CC(=O)N1CC[N@H+](Cc2cnn(C)c2C)C[C@H](C(=O)N(C)C)C1 ZINC000257283215 203009898 /nfs/dbraw/zinc/00/98/98/203009898.db2.gz OXGCCCIRGNCIEC-HNNXBMFYSA-N 1 0 321.425 0.097 40 0 DCABRO CC(=O)N[C@]12CN(S(=O)(=O)c3ccccc3)C[C@H]1C[NH2+]CC2 ZINC000257287009 203013696 /nfs/dbraw/zinc/01/36/96/203013696.db2.gz POAFBUSSKTXIKU-UKRRQHHQSA-N 1 0 323.418 0.175 40 0 DCABRO C[NH2+][C@@H]1CO[C@@H]2CCN(C(=O)c3cccnn3)C[C@@H]2C[C@@]1(C)O ZINC000257286949 203014416 /nfs/dbraw/zinc/01/44/16/203014416.db2.gz PNTLEMFPDUYRBS-ADSMDIBLSA-N 1 0 320.393 0.067 40 0 DCABRO Cn1cc(C[N@@H+]2CC[C@@H]3O[C@H](C(=O)NCC4CC4)C[C@@H]32)cn1 ZINC000096186552 395747733 /nfs/dbraw/zinc/74/77/33/395747733.db2.gz XHHVAZMHXITHCQ-KKUMJFAQSA-N 1 0 304.394 0.678 40 0 DCABRO O=C([C@@H]1CCOC1)N1Cc2nccn2C[C@H](C[NH+]2CCCC2)C1 ZINC000096188397 395747898 /nfs/dbraw/zinc/74/78/98/395747898.db2.gz OIPRKVSRLJUVCX-LSDHHAIUSA-N 1 0 318.421 0.974 40 0 DCABRO Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)[C@H]2CCOC2)cn1 ZINC000096063998 395742661 /nfs/dbraw/zinc/74/26/61/395742661.db2.gz ORPHJZRNNHQOGY-SOUVJXGZSA-N 1 0 304.394 0.632 40 0 DCABRO CNC(=O)CO[C@H]1CO[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC000096072286 395743193 /nfs/dbraw/zinc/74/31/93/395743193.db2.gz DWAMMAXUTMHNIJ-ZBFHGGJFSA-N 1 0 305.378 0.578 40 0 DCABRO COCCNC(=O)[C@]12COC[C@H]1C[N@H+](Cc1cccs1)C2 ZINC000096110026 395744898 /nfs/dbraw/zinc/74/48/98/395744898.db2.gz ILYAEBXGWYEWLV-IUODEOHRSA-N 1 0 310.419 0.959 40 0 DCABRO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CC[N@H+](CCO)C2 ZINC000096237885 395751027 /nfs/dbraw/zinc/75/10/27/395751027.db2.gz WRQRPOOFDYAMEP-MRXNPFEDSA-N 1 0 307.369 0.541 40 0 DCABRO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(Cc3ccncc3)C(=O)[C@H]2C1 ZINC000096245135 395751423 /nfs/dbraw/zinc/75/14/23/395751423.db2.gz SUQAVRKRFQCRBX-KBPBESRZSA-N 1 0 302.378 0.060 40 0 DCABRO COCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2c1ccnc(N(C)C)n1 ZINC000096248883 395751479 /nfs/dbraw/zinc/75/14/79/395751479.db2.gz WFMLAKFRWLQOGQ-OLZOCXBDSA-N 1 0 307.398 0.078 40 0 DCABRO CN(C)C(=O)CN1C[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2C1=O ZINC000096245046 395751589 /nfs/dbraw/zinc/75/15/89/395751589.db2.gz XSCLFBPVWOJZML-STQMWFEESA-N 1 0 307.419 0.727 40 0 DCABRO C[NH+](C)CC(=O)N1CC2(C1)C[C@@H](OCc1ccncc1)CCO2 ZINC000248021835 395980930 /nfs/dbraw/zinc/98/09/30/395980930.db2.gz RLORTWMBAQAYAB-HNNXBMFYSA-N 1 0 319.405 0.920 40 0 DCABRO Cc1nc2ccccn2c1CC(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC000257238158 396041929 /nfs/dbraw/zinc/04/19/29/396041929.db2.gz HJVDNVHLZVKUCR-KRWDZBQOSA-N 1 0 316.405 0.710 40 0 DCABRO CN(C)C(=O)c1cccc(C2CC[NH+]([C@@H]3COC[C@H]3O)CC2)n1 ZINC000257250501 396043704 /nfs/dbraw/zinc/04/37/04/396043704.db2.gz JMTYXITYQJLFHZ-HZPDHXFCSA-N 1 0 319.405 0.723 40 0 DCABRO CNC(=O)[C@H]1CN(S(=O)(=O)C2CCCCC2)CC[N@H+](C)C1 ZINC000257329444 396046221 /nfs/dbraw/zinc/04/62/21/396046221.db2.gz XKAKQYSTENQWQQ-GFCCVEGCSA-N 1 0 317.455 0.259 40 0 DCABRO Cc1ccccc1OC[C@]1(O)COCC[N@H+](CCC(N)=O)C1 ZINC000585275205 396643141 /nfs/dbraw/zinc/64/31/41/396643141.db2.gz ACTDDBXFSBYZEV-MRXNPFEDSA-N 1 0 308.378 0.313 40 0 DCABRO CCCC[NH2+]C[C@]1(O)CN(C(=O)Cc2ccccc2)CC[C@H]1O ZINC000585286515 396646761 /nfs/dbraw/zinc/64/67/61/396646761.db2.gz TXWWWYRVOIXKBC-AEFFLSMTSA-N 1 0 320.433 0.943 40 0 DCABRO CC[C@@H](C)[N@@H+]1CCC[C@@]2(CN(CCS(C)(=O)=O)C2=O)C1 ZINC000585099600 396638951 /nfs/dbraw/zinc/63/89/51/396638951.db2.gz RWKVSGBRSFMXRM-OCCSQVGLSA-N 1 0 302.440 0.754 40 0 DCABRO CC[C@H](C)[N@@H+]1CCC[C@]2(CN(CCS(C)(=O)=O)C2=O)C1 ZINC000585099596 396638982 /nfs/dbraw/zinc/63/89/82/396638982.db2.gz RWKVSGBRSFMXRM-GXTWGEPZSA-N 1 0 302.440 0.754 40 0 DCABRO O=C1N(CC2CCCCC2)C[C@@]12CCC[N@@H+](C[C@@H](O)CO)C2 ZINC000585099499 396639432 /nfs/dbraw/zinc/63/94/32/396639432.db2.gz OQSRXMOFBBNPDD-WBVHZDCISA-N 1 0 310.438 0.844 40 0 DCABRO COCC(=O)N1CCC[C@]2(CCC(=O)N2CC[NH+](C)C)CC1 ZINC000096071921 292176828 /nfs/dbraw/zinc/17/68/28/292176828.db2.gz RGBXFMHRZLLLBY-INIZCTEOSA-N 1 0 311.426 0.568 40 0 DCABRO O=C1CO[C@@]2(CN1c1ccccn1)COCC[N@H+](CC1CC1)C2 ZINC000096051377 415576523 /nfs/dbraw/zinc/57/65/23/415576523.db2.gz FFXRGTMMVVLHPM-KRWDZBQOSA-N 1 0 317.389 0.926 40 0 DCABRO CN(C)C(=O)C[N@@H+]1CCC[C@@]2(CCN(c3ncc(F)cn3)C2)C1 ZINC000096215327 415577903 /nfs/dbraw/zinc/57/79/03/415577903.db2.gz YPDFSDWPZMDGGV-MRXNPFEDSA-N 1 0 321.400 0.996 40 0 DCABRO COCC[N@H+]1C[C@@H](NC(=O)c2ccnnc2)[C@H]2OCCC[C@H]2C1 ZINC000097953497 415591157 /nfs/dbraw/zinc/59/11/57/415591157.db2.gz YNIMVWQWOUNGMS-ZNMIVQPWSA-N 1 0 320.393 0.332 40 0 DCABRO CCOC[C@H]1C[N@H+](C)C2(CN(C(=O)c3cnc(C)cn3)C2)C1 ZINC000585093898 416519096 /nfs/dbraw/zinc/51/90/96/416519096.db2.gz NYEHFBDHRHVHDC-CYBMUJFWSA-N 1 0 304.394 0.968 40 0 DCABRO O=S1(=O)C[C@H](O)[C@@H](NCC[NH2+]Cc2ccccc2Cl)C1 ZINC000575421784 417535909 /nfs/dbraw/zinc/53/59/09/417535909.db2.gz RMBVIRZBMXFHFS-STQMWFEESA-N 1 0 318.826 0.177 40 0 DCABRO CN1C(=O)[C@H]2[C@H](C1=O)C1(O)c3ccccc3C2([NH3+])c2ccccc21 ZINC000031818623 289858076 /nfs/dbraw/zinc/85/80/76/289858076.db2.gz ZXBWBJZXTCWRKI-QAQJPARQSA-N 1 0 320.348 0.683 40 0 DCABRO CNC(=O)C1([N@@H+]2CCC[C@H]2C(=O)NCCOC)CCCCC1 ZINC000096113086 290354029 /nfs/dbraw/zinc/35/40/29/290354029.db2.gz WVRNYLZKHWCJKJ-ZDUSSCGKSA-N 1 0 311.426 0.662 40 0 biogenic,in-vitro DCABRO CCC[N@@H+]1C[C@@H]2Cn3c(nnc3C(=O)NCCOC)C[C@@H]2C1 ZINC000306137210 528293865 /nfs/dbraw/zinc/29/38/65/528293865.db2.gz QOZNFZXNCVOYSU-VXGBXAGGSA-N 1 0 307.398 0.168 40 0 DCABRO CC(C)(C)c1cn(C[C@H]2OC[C@H](O)[C@H]2[NH2+]C2CCOCC2)nn1 ZINC001549162225 1014157435 /nfs/dbraw/zinc/15/74/35/1014157435.db2.gz RWWIQVLKBISIAW-GZBFAFLISA-N 1 0 324.425 0.473 40 0 DCABRO CN(C)S(=O)(=O)N1Cc2ccnn2[C@H](C[NH+]2CCCC2)C1 ZINC000306135653 231087394 /nfs/dbraw/zinc/08/73/94/231087394.db2.gz OWWIUUODHDVGBO-CYBMUJFWSA-N 1 0 313.427 0.142 40 0 DCABRO CC[NH+](CC)CCCOC(=O)C=Cc1c(C)[nH]c(=O)[nH]c1=O ZINC000001731324 180892844 /nfs/dbraw/zinc/89/28/44/180892844.db2.gz PKAHNGYBKCLKLY-BQYQJAHWSA-N 1 0 309.366 0.660 40 0 DCABRO Cc1cc(C(=O)NCC[NH+]2CCC(O)CC2)n2nccc2n1 ZINC000257273410 203000977 /nfs/dbraw/zinc/00/09/77/203000977.db2.gz NGLSFAVFSHFPPY-UHFFFAOYSA-N 1 0 303.366 0.224 40 0 DCABRO CC(C)c1noc(CCC(=O)N2CC[N@H+](C)C[C@@H](C(N)=O)C2)n1 ZINC000257332174 203054794 /nfs/dbraw/zinc/05/47/94/203054794.db2.gz XWBNZAXBCRMJFN-LLVKDONJSA-N 1 0 323.397 0.001 40 0 DCABRO O=C(NCCO)c1cc([C@@H]2C[NH2+]CCO2)nc2ccccc21 ZINC000257311146 203035950 /nfs/dbraw/zinc/03/59/50/203035950.db2.gz UIETXJJITKGQEC-HNNXBMFYSA-N 1 0 301.346 0.618 40 0 DCABRO CN1C[C@]2(CC1=O)C[NH2+]CCN(C(=O)Nc1ccccc1)C2 ZINC000105040411 194066510 /nfs/dbraw/zinc/06/65/10/194066510.db2.gz DIZQCQZXMSVNIH-INIZCTEOSA-N 1 0 302.378 0.972 40 0 DCABRO COCC[N@@H+]1CCOC[C@]2(CC[C@@H](Cn3ncccc3=O)O2)C1 ZINC000306123781 532974480 /nfs/dbraw/zinc/97/44/80/532974480.db2.gz AWOHEDNDROKMMM-HOCLYGCPSA-N 1 0 323.393 0.140 40 0 DCABRO O=C([C@H]1CCOC1)N1Cc2nccn2C[C@H](C[NH+]2CCCC2)C1 ZINC000096188399 395748067 /nfs/dbraw/zinc/74/80/67/395748067.db2.gz OIPRKVSRLJUVCX-GJZGRUSLSA-N 1 0 318.421 0.974 40 0 DCABRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3cccnc3)C[C@H]21 ZINC000096054308 395741572 /nfs/dbraw/zinc/74/15/72/395741572.db2.gz LAMGUCYUKCBFBD-CABCVRRESA-N 1 0 304.394 0.168 40 0 DCABRO C[NH+](C)C[C@H]1CO[C@@]2(C1)COCCN(C(=O)N1CCCC1)C2 ZINC000096051973 395741577 /nfs/dbraw/zinc/74/15/77/395741577.db2.gz XGHDQXHFQOZUQA-GOEBONIOSA-N 1 0 311.426 0.871 40 0 DCABRO CCS(=O)(=O)N1CCC2(C[NH+](CC3CCOCC3)C2)C1 ZINC000096089445 395743925 /nfs/dbraw/zinc/74/39/25/395743925.db2.gz IOUZEPZKQLJCOL-UHFFFAOYSA-N 1 0 302.440 0.770 40 0 DCABRO CS(=O)(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1ccsc1)C2 ZINC000096108316 395744690 /nfs/dbraw/zinc/74/46/90/395744690.db2.gz WLLWSPXJWZACJT-OLZOCXBDSA-N 1 0 316.448 0.746 40 0 DCABRO COCC(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1ccsc1)C2 ZINC000096108392 395745265 /nfs/dbraw/zinc/74/52/65/395745265.db2.gz MRPZZMJYMONWHL-HIFRSBDPSA-N 1 0 310.419 0.959 40 0 DCABRO [NH3+][C@H]1CCN(c2nccn3c(=O)n(Cc4ccccc4)nc23)C1 ZINC000096530683 395754422 /nfs/dbraw/zinc/75/44/22/395754422.db2.gz XAWQFUOTEYXDIU-ZDUSSCGKSA-N 1 0 310.361 0.477 40 0 DCABRO O=C([C@H]1CO[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]12)N1CCCO1 ZINC000096219433 395749831 /nfs/dbraw/zinc/74/98/31/395749831.db2.gz HGGYCZZBRFVYNO-QLFBSQMISA-N 1 0 303.362 0.692 40 0 DCABRO Cn1cc(C[N@@H+]2CCCC23CCN(S(C)(=O)=O)CC3)cn1 ZINC000096227990 395750579 /nfs/dbraw/zinc/75/05/79/395750579.db2.gz PXTJWCAIFKINPP-UHFFFAOYSA-N 1 0 312.439 0.810 40 0 DCABRO Cc1ncc(CN2CCC3(CC(NS(C)(=O)=O)C3)C2)cn1 ZINC000108526250 395789897 /nfs/dbraw/zinc/78/98/97/395789897.db2.gz MNLOJWLYFYAQEU-UHFFFAOYSA-N 1 0 310.423 0.689 40 0 DCABRO COCCNC(=S)NC1CC[NH+](C2CCOCC2)CC1 ZINC000225214277 395858903 /nfs/dbraw/zinc/85/89/03/395858903.db2.gz XTJDDMKSTSQOJF-UHFFFAOYSA-N 1 0 301.456 0.740 40 0 DCABRO C[NH+](C)[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O ZINC000225500912 395861456 /nfs/dbraw/zinc/86/14/56/395861456.db2.gz JHGRLZVNQHDPSK-NGFQHRJXSA-N 1 0 303.366 0.012 40 0 biogenic,in-vitro DCABRO C[N@@H+]1CCN(CC2=Cc3ccccc3OC2)C[C@H](C(N)=O)C1 ZINC000257206933 396037127 /nfs/dbraw/zinc/03/71/27/396037127.db2.gz BFNMACLQQBTCTG-OAHLLOKOSA-N 1 0 301.390 0.811 40 0 DCABRO CC(C)c1nnc(CCC(=O)N2C[C@@H](O)[C@H]([NH+]3CCCC3)C2)o1 ZINC000257210608 396038347 /nfs/dbraw/zinc/03/83/47/396038347.db2.gz BVIRTBAPQUDNAY-CHWSQXEVSA-N 1 0 322.409 0.793 40 0 DCABRO COc1ccccc1C[N@@H+]1CCN(C(C)=O)C[C@@H](C(N)=O)C1 ZINC000257217208 396039365 /nfs/dbraw/zinc/03/93/65/396039365.db2.gz CYACTIPNAJSHCO-AWEZNQCLSA-N 1 0 305.378 0.461 40 0 DCABRO CN(CC(=O)N1CC[C@@](O)(C[NH+](C)C)C1)Cc1cccnc1 ZINC000257224202 396039660 /nfs/dbraw/zinc/03/96/60/396039660.db2.gz FASKOURNBOCGEG-MRXNPFEDSA-N 1 0 306.410 0.038 40 0 DCABRO CN1C(=O)CO[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC000257246243 396042606 /nfs/dbraw/zinc/04/26/06/396042606.db2.gz ITFZWLQIICBNRC-GJZGRUSLSA-N 1 0 317.389 0.430 40 0 DCABRO CC(=O)N[C@H]1CC2(CC[NH+](Cc3c[nH]cn3)CC2)OC[C@]1(C)O ZINC000257252822 396043543 /nfs/dbraw/zinc/04/35/43/396043543.db2.gz JWFLLKREYHHRLH-GJZGRUSLSA-N 1 0 322.409 0.420 40 0 DCABRO O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2cccnc2)[C@@H]1O)C1CCCC1 ZINC000077264067 396216213 /nfs/dbraw/zinc/21/62/13/396216213.db2.gz IUIZLBQOMKZLRS-OAGGEKHMSA-N 1 0 319.405 0.606 40 0 biogenic,in-vitro DCABRO CCOc1ccc(C[N@@H+]2C[C@@H](CC(N)=O)[C@@H](OC)C2)cc1CO ZINC000585276695 396643596 /nfs/dbraw/zinc/64/35/96/396643596.db2.gz COVJQNCBQGSTLA-CJNGLKHVSA-N 1 0 322.405 0.900 40 0 DCABRO O[C@@H]1COC[C@@H](C[NH2+]Cc2cccn2-c2ccccn2)[C@@H]1O ZINC000585287325 396646552 /nfs/dbraw/zinc/64/65/52/396646552.db2.gz XNXQWIFGMKAZMM-XPKDYRNWSA-N 1 0 303.362 0.330 40 0 DCABRO CCC[NH2+]C[C@]1(O)CN(C(=O)Cc2ccccc2)CC[C@H]1O ZINC000585286487 396646951 /nfs/dbraw/zinc/64/69/51/396646951.db2.gz RQPYZGVELRELHL-WBVHZDCISA-N 1 0 306.406 0.553 40 0 DCABRO Cn1cc(/C=C/C(=O)N[C@@H]2CCC[C@@H]([NH+]3CCCC3)[C@@H]2O)cn1 ZINC000585289500 396647333 /nfs/dbraw/zinc/64/73/33/396647333.db2.gz IWSMLDFUAHUGOJ-JTWJQQFASA-N 1 0 318.421 0.927 40 0 DCABRO O=C(CCc1ccccc1)N1CC[C@](O)(C[NH2+]C2CC2)[C@@H](O)C1 ZINC000585289125 396647829 /nfs/dbraw/zinc/64/78/29/396647829.db2.gz FETYNENIBSZFLQ-WMZOPIPTSA-N 1 0 318.417 0.696 40 0 DCABRO COC[C@H]1C[N@H+](C)C[C@@]12CCN(C(=O)c1nnsc1C)C2 ZINC000585102646 396639411 /nfs/dbraw/zinc/63/94/11/396639411.db2.gz DTPJVUOEQYYBBJ-BXUZGUMPSA-N 1 0 310.423 0.887 40 0 DCABRO CCn1cc(C[N@@H+]2C[C@@H](C(=O)N(C)C)C[C@H]3OCC[C@H]32)cn1 ZINC000585108751 396639974 /nfs/dbraw/zinc/63/99/74/396639974.db2.gz VDGPAJAWTFAGAD-RRFJBIMHSA-N 1 0 306.410 0.971 40 0 DCABRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@H](Oc1cnccn1)CCO2 ZINC000575403556 397312474 /nfs/dbraw/zinc/31/24/74/397312474.db2.gz GSZZPFBXRFQHQH-CYBMUJFWSA-N 1 0 320.393 0.567 40 0 DCABRO O=C(c1ccc(Cl)cc1)N1C[C@@H]2COCCN2C2(C[NH2+]C2)C1 ZINC000604381825 397638929 /nfs/dbraw/zinc/63/89/29/397638929.db2.gz QHERMPXVXCTFBA-CQSZACIVSA-N 1 0 321.808 0.839 40 0 biogenic,in-vitro DCABRO COC(=O)[C@@H]1C(=O)[C@@H](C(=O)OC)[C@@H]2CCCC3CCC[C@H]1[N@@H+]32 ZINC000005759405 415134257 /nfs/dbraw/zinc/13/42/57/415134257.db2.gz PUSOSPKVIFCHMP-DMGDTADUSA-N 1 0 309.362 0.923 40 0 DCABRO CN(C)C(=O)COC[C@H]1Cn2nccc2C[N@@H+]([C@@H]2CCOC2)C1 ZINC000096044196 415573815 /nfs/dbraw/zinc/57/38/15/415573815.db2.gz DRPATPRTAUTRNS-UKRRQHHQSA-N 1 0 322.409 0.209 40 0 DCABRO CC(=O)N1CCC(N2CCN3[C@@H](C2)C[N@@H+](C)CC3(C)C)CC1 ZINC000253403824 416334718 /nfs/dbraw/zinc/33/47/18/416334718.db2.gz QMLLBBFLHVDBAP-MRXNPFEDSA-N 1 0 308.470 0.708 40 0 biogenic,in-vitro DCABRO CN1C(=O)CCC[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)CC[C@H]21 ZINC000257331117 416335339 /nfs/dbraw/zinc/33/53/39/416335339.db2.gz XRLCHEOFFOHIQO-ZIAGYGMSSA-N 1 0 309.410 0.178 40 0 DCABRO CC(=O)NCC(=O)N1Cc2nccn2C[C@@H](C[N@@H+](C)C(C)C)C1 ZINC000096188334 277027751 /nfs/dbraw/zinc/02/77/51/277027751.db2.gz OTIILFBCXGZWIA-CQSZACIVSA-N 1 0 321.425 0.318 40 0 DCABRO O[C@@H]1[C@@H](n2cncn2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccccc1 ZINC000952844669 768908603 /nfs/dbraw/zinc/90/86/03/768908603.db2.gz GMRHDVDMPJFBCY-ARILJUKYSA-N 1 0 302.334 0.094 40 0 biogenic,in-vitro DCABRO Cc1nccn1CCNC(=O)c1cncc([C@@H]2CCC[NH2+]2)n1 ZINC000072365691 191134203 /nfs/dbraw/zinc/13/42/03/191134203.db2.gz QOTLCLNPUUMFRB-LBPRGKRZSA-N 1 0 300.366 0.836 40 0 DCABRO CC[NH+](CC)C[C@@H](O)CNC(=O)[C@@H]1COc2ccccc2O1 ZINC000002679839 180946612 /nfs/dbraw/zinc/94/66/12/180946612.db2.gz ZVAXTJMUCHBWPY-WFASDCNBSA-N 1 0 308.378 0.645 40 0 DCABRO CO[C@@H](C)[C@@](O)(C(=O)OCC1=CC[N@@H+]2CC[C@@H](O)[C@H]12)C(C)C ZINC000003876049 181051572 /nfs/dbraw/zinc/05/15/72/181051572.db2.gz LMFKRLGHEKVMNT-ZGMNHVEMSA-N 1 0 313.394 0.327 40 0 DCABRO COc1cccc([C@H]2CC(=O)N(C3CC[NH2+]CC3)CC(=O)N2)c1 ZINC000091689961 193092123 /nfs/dbraw/zinc/09/21/23/193092123.db2.gz YCNFERCBEOSIQK-OAHLLOKOSA-N 1 0 317.389 0.837 40 0 DCABRO Cc1nccn1CC(=O)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257304358 203030509 /nfs/dbraw/zinc/03/05/09/203030509.db2.gz SLGYBKQCWYJAQS-IIAWOOMASA-N 1 0 306.410 0.686 40 0 DCABRO C[NH+](C)C[C@]1(O)CCN(C(=O)c2ccc(-n3cccn3)nc2)C1 ZINC000257305534 203030693 /nfs/dbraw/zinc/03/06/93/203030693.db2.gz SQLWANRBGFHXKP-MRXNPFEDSA-N 1 0 315.377 0.406 40 0 DCABRO CC(=O)Nc1cnn(CC2CC[NH+]([C@H]3COC[C@@H]3O)CC2)c1 ZINC000257312552 203035971 /nfs/dbraw/zinc/03/59/71/203035971.db2.gz UOMMJXOTBVRTSB-GJZGRUSLSA-N 1 0 308.382 0.313 40 0 DCABRO CNC(=O)[C@H]1CN(C(C)=O)CC[N@H+](Cc2ncccc2C)C1 ZINC000257341834 203065457 /nfs/dbraw/zinc/06/54/57/203065457.db2.gz ZMCYAJJKWLLJDP-CQSZACIVSA-N 1 0 304.394 0.416 40 0 DCABRO COCC(=O)N1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC000096086876 193531854 /nfs/dbraw/zinc/53/18/54/193531854.db2.gz JQONHSNLBHTCEJ-UHFFFAOYSA-N 1 0 320.393 0.218 40 0 DCABRO O=S1(=O)C[C@@H](O)[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000022921579 182340808 /nfs/dbraw/zinc/34/08/08/182340808.db2.gz NZYRXLCDZBUGLI-RBSFLKMASA-N 1 0 310.419 0.008 40 0 DCABRO CCCC[N@H+](C)C[C@@H]1OC[C@H](NC(=O)C2CCOCC2)[C@H]1O ZINC000514288553 257216782 /nfs/dbraw/zinc/21/67/82/257216782.db2.gz IAIWMOSOCMQHKR-SOUVJXGZSA-N 1 0 314.426 0.389 40 0 biogenic,in-vitro DCABRO CNC(=O)[C@H]1C[C@@H]2CN(c3cc(OC)ncn3)C[C@@H]2[N@@H+]1C(C)C ZINC000096182650 395747098 /nfs/dbraw/zinc/74/70/98/395747098.db2.gz NFTZXFCDHOIRJW-UPJWGTAASA-N 1 0 319.409 0.519 40 0 DCABRO CC(C)N(C)Cc1nnc2n1CC[N@@H+](Cc1cnn(C)c1)CC2 ZINC000096058949 395741990 /nfs/dbraw/zinc/74/19/90/395741990.db2.gz XPWBTEZOGMBQTE-UHFFFAOYSA-N 1 0 317.441 0.910 40 0 DCABRO CCCS(=O)(=O)N1CCO[C@H]2[C@H](OCC[NH+](C)C)CC[C@@H]21 ZINC000096065760 395742394 /nfs/dbraw/zinc/74/23/94/395742394.db2.gz LWIQJIHMWUJLGB-BFHYXJOUSA-N 1 0 320.455 0.536 40 0 DCABRO CC(C)[N@@H+]1CCOC[C@@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 ZINC000096076598 395743213 /nfs/dbraw/zinc/74/32/13/395743213.db2.gz GXMZMHHPSICYNJ-INIZCTEOSA-N 1 0 322.409 0.372 40 0 DCABRO COCC[N@@H+]1C[C@H]2OC[C@H](CC(=O)NCc3ccco3)[C@H]2C1 ZINC000096220389 395750070 /nfs/dbraw/zinc/75/00/70/395750070.db2.gz MMYGGXNRNQHHFF-NWANDNLSSA-N 1 0 308.378 0.879 40 0 DCABRO COC[C@@H]1CC2(CN1c1ncccn1)CC[NH+](CCO)CC2 ZINC000096240375 395751051 /nfs/dbraw/zinc/75/10/51/395751051.db2.gz UNONMPMAOFHPNP-AWEZNQCLSA-N 1 0 306.410 0.776 40 0 DCABRO CN(C)C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC000096254353 395751945 /nfs/dbraw/zinc/75/19/45/395751945.db2.gz YPZJGPNLOUVPII-UHFFFAOYSA-N 1 0 309.370 0.006 40 0 DCABRO CCOC(=O)[C@@]1(C[NH3+])[C@@H](c2cccc(F)c2)[C@@H]1S(C)(=O)=O ZINC000218543411 395842899 /nfs/dbraw/zinc/84/28/99/395842899.db2.gz RLJKFTSIVROBMQ-OBJOEFQTSA-N 1 0 315.366 0.844 40 0 DCABRO COCC[N@@H+]1C[C@H](COC)C2(C1)CCN(C(=O)COC)CC2 ZINC000247830308 395979312 /nfs/dbraw/zinc/97/93/12/395979312.db2.gz HIVQDFCAQVWROD-CQSZACIVSA-N 1 0 314.426 0.466 40 0 DCABRO CC1(C)[C@H](OC[C@@H](O)C[NH+](CCO)CCO)[C@]2(C)CC[C@H]1C2 ZINC000253477136 396029290 /nfs/dbraw/zinc/02/92/90/396029290.db2.gz DDMGCGGKEMYWRP-QBYUYEEZSA-N 1 0 315.454 0.865 40 0 DCABRO Cn1nccc1CNC(=O)[C@H]1CN(c2ccc(F)cc2)CC[NH2+]1 ZINC000257209041 396037993 /nfs/dbraw/zinc/03/79/93/396037993.db2.gz BOTAVHQFBZCWBD-OAHLLOKOSA-N 1 0 317.368 0.654 40 0 DCABRO [NH3+]CCCC(=O)N1C[C@@H](O)[C@@H](Cc2ccc3nccn3c2)C1 ZINC000257221155 396038906 /nfs/dbraw/zinc/03/89/06/396038906.db2.gz DNSTWESJVVMMEY-UONOGXRCSA-N 1 0 302.378 0.435 40 0 DCABRO CNC(=O)[C@@H]1CN(C(C)=O)CC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000257265431 396045617 /nfs/dbraw/zinc/04/56/17/396045617.db2.gz LYQBJPRZNONGFY-HNNXBMFYSA-N 1 0 319.405 0.722 40 0 DCABRO O[C@@H]1COC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2)[C@@H]1O ZINC000585285452 396646247 /nfs/dbraw/zinc/64/62/47/396646247.db2.gz DFZDMENTIBDSLI-FMKPAKJESA-N 1 0 303.362 0.535 40 0 DCABRO C[N@@H+]1C[C@@H]2COCCN2C2(CN(C(=O)c3ccccc3)C2)C1 ZINC000604381126 397638967 /nfs/dbraw/zinc/63/89/67/397638967.db2.gz DOBBJZRZOKIPFS-OAHLLOKOSA-N 1 0 301.390 0.527 40 0 biogenic,in-vitro DCABRO COCC(=O)N1CCC[C@@]2(CCC(=O)N2CC[NH+](C)C)CC1 ZINC000096071920 292176849 /nfs/dbraw/zinc/17/68/49/292176849.db2.gz RGBXFMHRZLLLBY-MRXNPFEDSA-N 1 0 311.426 0.568 40 0 DCABRO Cc1nc(N2CCOCC2)nc2c1COC[C@]21CC[N@@H+](C)C1 ZINC000096244584 415578674 /nfs/dbraw/zinc/57/86/74/415578674.db2.gz FSQRQWDDUPLMIZ-MRXNPFEDSA-N 1 0 304.394 0.725 40 0 DCABRO Cc1ncc(C(=O)N[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)c(C)n1 ZINC000257259358 416334981 /nfs/dbraw/zinc/33/49/81/416334981.db2.gz KXYMUWHJQVQCTB-RBSFLKMASA-N 1 0 304.394 0.811 40 0 DCABRO CNc1ncc(C[N@@H+]2CC[C@@H](OC)[C@H](CC(=O)N(C)C)C2)cn1 ZINC000585278429 416519930 /nfs/dbraw/zinc/51/99/30/416519930.db2.gz SMBDWGIDHXQLLY-ZIAGYGMSSA-N 1 0 321.425 0.834 40 0 DCABRO C[NH+](C)CC(=O)N1CCC2(CC1)CN(c1ncccn1)CCO2 ZINC000096159053 276755572 /nfs/dbraw/zinc/75/55/72/276755572.db2.gz ZOFHBHZLVWGLAE-UHFFFAOYSA-N 1 0 319.409 0.236 40 0 DCABRO C[NH+](C)C[C@@H]1CO[C@@]2(C1)COCCN(C(=O)c1cccnc1)C2 ZINC000096240640 289203456 /nfs/dbraw/zinc/20/34/56/289203456.db2.gz KGCWFNNVWGAQNJ-RHSMWYFYSA-N 1 0 319.405 0.891 40 0 DCABRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cnc[nH]c2=O)cc1 ZINC000257269918 295250468 /nfs/dbraw/zinc/25/04/68/295250468.db2.gz MRYPDSKJKRXCAX-CQSZACIVSA-N 1 0 314.345 0.978 40 0 DCABRO CN(C)c1cn[nH+]c(N2CCN(C(=O)c3ccncc3)CC2)c1 ZINC000224310804 333408308 /nfs/dbraw/zinc/40/83/08/333408308.db2.gz SVFTZGMHXPXSAF-UHFFFAOYSA-N 1 0 312.377 0.900 40 0 DCABRO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccncc1Br ZINC001548448095 1012670297 /nfs/dbraw/zinc/67/02/97/1012670297.db2.gz LMJHZJJYXXFVSY-NXEZZACHSA-N 1 0 300.156 0.561 40 0 DCABRO C[NH+](C)CC(=O)N1CCC[C@@H]1c1cncc(-n2ccnc2)n1 ZINC000072378580 191141363 /nfs/dbraw/zinc/14/13/63/191141363.db2.gz XBQJDSDISMKYTN-CYBMUJFWSA-N 1 0 300.366 0.887 40 0 DCABRO Cn1cc(C[NH+]2CCC(C)(c3n[nH]cc3C(N)=O)CC2)cn1 ZINC000072388877 191147655 /nfs/dbraw/zinc/14/76/55/191147655.db2.gz OMEFAAGWFZMKKJ-UHFFFAOYSA-N 1 0 302.382 0.796 40 0 DCABRO C[NH+](C)CC(=O)N1CCO[C@@H]2[C@H](CNc3ncccn3)CC[C@@H]21 ZINC000248036321 202714306 /nfs/dbraw/zinc/71/43/06/202714306.db2.gz UVLUOPDYSIHRPY-KCQAQPDRSA-N 1 0 319.409 0.456 40 0 DCABRO CCS(=O)(=O)N1CCC2(CC1)C[C@H]([NH+](C)C)[C@@](C)(O)CO2 ZINC000257274573 203002143 /nfs/dbraw/zinc/00/21/43/203002143.db2.gz NLQLKDDQBNFNEW-STQMWFEESA-N 1 0 320.455 0.272 40 0 DCABRO CS(=O)(=O)N1CCC(c2nnc([C@H]3CCC[NH2+]C3)o2)CC1 ZINC000257305752 203030441 /nfs/dbraw/zinc/03/04/41/203030441.db2.gz SRJIBEHNAWODJL-NSHDSACASA-N 1 0 314.411 0.676 40 0 DCABRO CC(=O)N1CC[N@H+](Cc2cnn(C)c2C)C[C@@H](C(=O)N(C)C)C1 ZINC000257283216 203009613 /nfs/dbraw/zinc/00/96/13/203009613.db2.gz OXGCCCIRGNCIEC-OAHLLOKOSA-N 1 0 321.425 0.097 40 0 DCABRO CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3OCC(=O)N[C@H]3C2)CC1 ZINC000257318778 203043738 /nfs/dbraw/zinc/04/37/38/203043738.db2.gz VPIFTEFKNOUGTB-UONOGXRCSA-N 1 0 309.410 0.223 40 0 DCABRO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2)CC[C@@H]1O ZINC000257335405 203058927 /nfs/dbraw/zinc/05/89/27/203058927.db2.gz YJZVSQVXVUJFFK-KBPBESRZSA-N 1 0 316.398 0.901 40 0 DCABRO COc1ccccc1C[C@@H](NC(C)=O)C(=O)N1CC[NH2+]CC1 ZINC000013997798 181918880 /nfs/dbraw/zinc/91/88/80/181918880.db2.gz XMXKPIOAWGLBMC-CQSZACIVSA-N 1 0 305.378 0.174 40 0 DCABRO COc1cc2nc(CN3CC[NH2+]CC3)[nH]c(=O)c2cc1OC ZINC000253613341 257104767 /nfs/dbraw/zinc/10/47/67/257104767.db2.gz NVGAZYFGVMEVFC-UHFFFAOYSA-N 1 0 304.350 0.758 40 0 DCABRO CC[N@@H+]1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccnc3)C2)C1 ZINC000514290427 257215081 /nfs/dbraw/zinc/21/50/81/257215081.db2.gz ZDPXIKBYGJIGGV-JKSUJKDBSA-N 1 0 302.422 0.407 40 0 biogenic,in-vitro DCABRO Cc1cccc(N(CC(=O)NCC[NH+](C)C)S(C)(=O)=O)c1 ZINC000010111552 395685914 /nfs/dbraw/zinc/68/59/14/395685914.db2.gz KMFXKFKMUWEICH-UHFFFAOYSA-N 1 0 313.423 0.439 40 0 DCABRO O=C(N[C@H]1C[N@H+]([C@H]2CCOC2)[C@@H]2CCCO[C@@H]21)c1cnccn1 ZINC000096186919 395747599 /nfs/dbraw/zinc/74/75/99/395747599.db2.gz YAOSXJKLYJVNTR-SPWCGHHHSA-N 1 0 318.377 0.227 40 0 DCABRO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccno1 ZINC000096186214 395747698 /nfs/dbraw/zinc/74/76/98/395747698.db2.gz SYZGWGUGDVSKSY-VXGBXAGGSA-N 1 0 306.366 0.442 40 0 DCABRO CCS(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1Cc1cnn(C)c1 ZINC000096200931 395748702 /nfs/dbraw/zinc/74/87/02/395748702.db2.gz GWGFEFKUSVVASN-OLZOCXBDSA-N 1 0 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CC(=O)N1CCOC[C@]2(CC[C@H](C[NH2+]Cc3ccncc3)O2)C1 ZINC000306131279 416103997 /nfs/dbraw/zinc/10/39/97/416103997.db2.gz JZXDOBCPBIRXKS-SJORKVTESA-N 1 0 319.405 0.968 40 0 DCABRO Cc1cc(N)cc([C@H]2CN(C(=O)c3cnn(C)c3)CCO2)[nH+]1 ZINC000257217415 416335011 /nfs/dbraw/zinc/33/50/11/416335011.db2.gz CYVKSUBGBSUJOG-CQSZACIVSA-N 1 0 301.350 0.919 40 0 DCABRO C[NH+](C)CCN1CC[C@]2(CCCN(c3ncccn3)C2)C1=O ZINC000096073942 276761825 /nfs/dbraw/zinc/76/18/25/276761825.db2.gz WGNVPLABZMCGKL-INIZCTEOSA-N 1 0 303.410 0.857 40 0 DCABRO C[N@@H+]1CC[C@@]2(CCn3c2nn(Cc2cccs2)c(=O)c3=O)C1 ZINC000306135860 277161444 /nfs/dbraw/zinc/16/14/44/277161444.db2.gz PDGYDSHBNLAFEY-OAHLLOKOSA-N 1 0 318.402 0.492 40 0 DCABRO O[C@@H]1[C@@H]([NH2+]Cc2ccccc2)CCC[C@]12COC[C@@H](O)[C@@H](O)C2 ZINC000247730613 1183272603 /nfs/dbraw/zinc/27/26/03/1183272603.db2.gz HBTCITSUTIIKCF-AVEIZBFRSA-N 1 0 321.417 0.818 40 0 DCABRO CC(=O)N1CCN(c2cc(CC[C@@H]3CCC[NH2+]3)ncn2)CC1 ZINC000072365056 191134011 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C[NH+](C)C[C@@]1(O)CCN(C(=O)CCn2nnc3ccccc32)C1 ZINC000257291619 203017325 /nfs/dbraw/zinc/01/73/25/203017325.db2.gz QHWNUVHXAZLNLU-INIZCTEOSA-N 1 0 317.393 0.346 40 0 DCABRO CNC(=O)c1ccc(C2CC[NH+]([C@@H]3COC[C@@H]3O)CC2)nc1 ZINC000257313814 203039282 /nfs/dbraw/zinc/03/92/82/203039282.db2.gz UUFSCWSTJBZKLP-CABCVRRESA-N 1 0 305.378 0.380 40 0 DCABRO Cc1nc[nH]c1C[N@@H+]1CCOC[C@@H](Cc2cc(=O)[nH]cn2)C1 ZINC000257320611 203045594 /nfs/dbraw/zinc/04/55/94/203045594.db2.gz VXOKNYGNAWGSGT-LBPRGKRZSA-N 1 0 303.366 0.905 40 0 DCABRO CN(CC(=O)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1)Cc1cccnc1 ZINC000257336560 203058176 /nfs/dbraw/zinc/05/81/76/203058176.db2.gz YOZAMASJPMGWJH-HZPDHXFCSA-N 1 0 318.421 0.181 40 0 DCABRO COCCn1c(=O)n(C)c(=O)c2ccc(C3CC[NH2+]CC3)nc21 ZINC000257344723 203067013 /nfs/dbraw/zinc/06/70/13/203067013.db2.gz ZYKHKBQVBDFURB-UHFFFAOYSA-N 1 0 318.377 0.209 40 0 DCABRO CCCn1nc(C)c(S(=O)(=O)CCN2CC[NH2+]CC2)c1C ZINC000096524242 193676087 /nfs/dbraw/zinc/67/60/87/193676087.db2.gz GOTGESBVOGTEET-UHFFFAOYSA-N 1 0 314.455 0.589 40 0 DCABRO [NH3+]CCN1CCO[C@@H](CC(=O)Nc2cccc(Cl)c2)C1=O ZINC000017032386 182070107 /nfs/dbraw/zinc/07/01/07/182070107.db2.gz LWHBHMFEVDDRMH-LBPRGKRZSA-N 1 0 311.769 0.855 40 0 DCABRO Cc1c(C[N@@H+]2CCC[C@@]2(C)C(=O)N2CCOCC2)cnn1C ZINC000019746782 182141763 /nfs/dbraw/zinc/14/17/63/182141763.db2.gz QCWXYMSNPQMDLW-INIZCTEOSA-N 1 0 306.410 0.942 40 0 DCABRO O=C(NCCC[NH2+][C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000217345030 257132102 /nfs/dbraw/zinc/13/21/02/257132102.db2.gz ADOOGJKDKSFSRL-CYBMUJFWSA-N 1 0 302.440 0.850 40 0 DCABRO CCN1CC2(C1)CN(Cc1cccnc1)C[C@H]1C[C@@H](O)C[N@H+]12 ZINC000514290034 257215958 /nfs/dbraw/zinc/21/59/58/257215958.db2.gz RQZUQWNNZQXBLC-HZPDHXFCSA-N 1 0 302.422 0.407 40 0 biogenic,in-vitro DCABRO CC(C)C[N@@H+]1C[C@@H]2C[C@@H](O)CN2C2(CN(C3CCOCC3)C2)C1 ZINC000514289526 257216005 /nfs/dbraw/zinc/21/60/05/257216005.db2.gz NGMSNDAYWVZSDB-DLBZAZTESA-N 1 0 323.481 0.627 40 0 biogenic,in-vitro DCABRO CC(C)C[N@@H+]1C[C@H]2C[C@@H](O)CN2C2(CN(C3CCOCC3)C2)C1 ZINC000514289527 257216446 /nfs/dbraw/zinc/21/64/46/257216446.db2.gz NGMSNDAYWVZSDB-IAGOWNOFSA-N 1 0 323.481 0.627 40 0 biogenic,in-vitro DCABRO COCCn1c(=O)ccc2c1CC[C@H]([NH2+]Cc1cnn(C)c1)C2 ZINC000096189663 395748410 /nfs/dbraw/zinc/74/84/10/395748410.db2.gz RAPAFUUKNOWDCG-HNNXBMFYSA-N 1 0 316.405 0.875 40 0 DCABRO CC(C)[N@@H+]1CCOC[C@]2(CN(C(=O)c3cccn3C)CCO2)C1 ZINC000096049745 395740970 /nfs/dbraw/zinc/74/09/70/395740970.db2.gz YQINBWWILPVVGL-QGZVFWFLSA-N 1 0 321.421 0.977 40 0 DCABRO CNC(=O)CN1CCOC[C@@]2(CCC[N@H+](Cc3ccco3)C2)C1 ZINC000096049476 395741031 /nfs/dbraw/zinc/74/10/31/395741031.db2.gz BAOLKOVXRYHATH-QGZVFWFLSA-N 1 0 321.421 0.940 40 0 DCABRO CN(C)C(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccoc1 ZINC000096056534 395741975 /nfs/dbraw/zinc/74/19/75/395741975.db2.gz XQQQNCCSCCEQCS-ZIAGYGMSSA-N 1 0 305.378 0.933 40 0 DCABRO O=C(C[C@@H]1COC[C@H]2C[N@H+](CC3CC3)C[C@H]21)N1CCOCC1 ZINC000096057242 395742045 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CS(=O)(=O)NC[C@@H]1CO[C@@H]2C[N@H+](CCc3ccccc3)C[C@H]12 ZINC000247510372 395974950 /nfs/dbraw/zinc/97/49/50/395974950.db2.gz IELQIPRHPRWBHG-BZUAXINKSA-N 1 0 324.446 0.725 40 0 DCABRO CC(C)Cc1cc(C(=O)N2C[C@@H](O)[C@H]([NH+]3CCCC3)C2)n(C)n1 ZINC000257216128 396039178 /nfs/dbraw/zinc/03/91/78/396039178.db2.gz CTEYFDSXXRQZTI-HZPDHXFCSA-N 1 0 320.437 0.900 40 0 DCABRO O=C(CCCn1ccnc1)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257238109 396041711 /nfs/dbraw/zinc/04/17/11/396041711.db2.gz HJQAGKLVJPZMNF-MRXNPFEDSA-N 1 0 306.410 0.723 40 0 DCABRO Cn1cccc1C(=O)N[C@@H]1CCCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257246235 396042603 /nfs/dbraw/zinc/04/26/03/396042603.db2.gz ITFKKXUSAVFLOC-IIAWOOMASA-N 1 0 321.421 0.759 40 0 DCABRO C[NH2+][C@H]1CC2(CCN(C(=O)c3cc[nH]n3)CC2)OC[C@]1(C)O ZINC000257254231 396044623 /nfs/dbraw/zinc/04/46/23/396044623.db2.gz KCHAHNNUVIRRMP-JSGCOSHPSA-N 1 0 308.382 0.144 40 0 DCABRO COc1ccc(C[NH2+][C@@H]2CO[C@H](CNC(=O)C3CC3)[C@H]2O)cc1 ZINC000077263961 396216197 /nfs/dbraw/zinc/21/61/97/396216197.db2.gz KPRARYINOSCZBZ-OAGGEKHMSA-N 1 0 320.389 0.439 40 0 biogenic,in-vitro DCABRO NC(=O)CC[N@@H+]1CCOC[C@](O)(COc2cccc(F)c2)C1 ZINC000585268892 396643198 /nfs/dbraw/zinc/64/31/98/396643198.db2.gz CSPNAIPETWNUEJ-HNNXBMFYSA-N 1 0 312.341 0.143 40 0 DCABRO COCC(=O)N[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1O ZINC000585261116 396643242 /nfs/dbraw/zinc/64/32/42/396643242.db2.gz BIDQWUWOHKJTHK-HUUCEWRRSA-N 1 0 303.362 0.476 40 0 DCABRO OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)[N@@H+]1Cc1cccnc1 ZINC000585295216 396647965 /nfs/dbraw/zinc/64/79/65/396647965.db2.gz QMILFUZCAZBILX-XWTMOSNGSA-N 1 0 314.385 0.591 40 0 DCABRO CC(C)C[NH+]1CC2(C1)CN(C(=O)C(C)C)C[C@@H]1COCCN12 ZINC000604381878 397638812 /nfs/dbraw/zinc/63/88/12/397638812.db2.gz SOYZTYIMFPGBIX-OAHLLOKOSA-N 1 0 309.454 0.896 40 0 biogenic,in-vitro DCABRO CN1CCN(CC2CC2)C(=O)C12CCN(C(=O)C[NH+](C)C)CC2 ZINC000096230127 415576487 /nfs/dbraw/zinc/57/64/87/415576487.db2.gz GEOSMDBOLAEMJI-UHFFFAOYSA-N 1 0 322.453 0.093 40 0 DCABRO Cn1cccc1C(=O)N[C@@H]1C[N@H+]([C@H]2CCOC2)[C@@H]2COC[C@H]12 ZINC000096038587 415573406 /nfs/dbraw/zinc/57/34/06/415573406.db2.gz FYTJHYVPTQSQSG-KYEXWDHISA-N 1 0 305.378 0.243 40 0 DCABRO CNC(=O)c1ccc2c(c1)C1(CC[NH+](CCOC)CC1)C(=O)N2 ZINC000105220494 415631520 /nfs/dbraw/zinc/63/15/20/415631520.db2.gz FLDDGSATGGIODY-UHFFFAOYSA-N 1 0 317.389 0.978 40 0 DCABRO CC(=O)N1CCC(O)(CN2CCO[C@@H](c3cnccn3)C2)CC1 ZINC000257264522 416335039 /nfs/dbraw/zinc/33/50/39/416335039.db2.gz LUUFXVGYLQXBFB-OAHLLOKOSA-N 1 0 320.393 0.223 40 0 DCABRO Cc1cc(C)n(CC(=O)N2CCC[C@]3(C)[NH2+]CCC[C@@H]23)c(=O)n1 ZINC000257259585 416335130 /nfs/dbraw/zinc/33/51/30/416335130.db2.gz KYZSWEJQFHLYDG-PBHICJAKSA-N 1 0 318.421 0.993 40 0 DCABRO CC(=O)N1CCC(O)(C[N@@H+]2CC[C@@H](c3n[nH]cc3C)C2)CC1 ZINC000257340346 416335419 /nfs/dbraw/zinc/33/54/19/416335419.db2.gz ZFPODGFQCSDDCM-CQSZACIVSA-N 1 0 306.410 0.881 40 0 DCABRO C[NH+](C)Cc1cncc2c1CCN(C(=O)N1CCOCC1)C2 ZINC000096067398 276813914 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1 0 310.423 0.254 40 0 DCABRO C[NH2+]CC(=O)N1CCC[C@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072383017 191142410 /nfs/dbraw/zinc/14/24/10/191142410.db2.gz IOHXDMRAARMGSO-LBPRGKRZSA-N 1 0 313.365 0.893 40 0 DCABRO C[NH2+][C@@H]1CO[C@@H]2CCN(C(=O)c3cccn3C)C[C@@H]2C[C@@]1(C)O ZINC000257223379 202956468 /nfs/dbraw/zinc/95/64/68/202956468.db2.gz DXBJNNVYHRUKJZ-DPAVQSFQSA-N 1 0 321.421 0.615 40 0 DCABRO CN1CC[NH+]([C@H]2CCN(C(=O)c3ccncc3)CC[C@@H]2O)CC1 ZINC000257297889 203023926 /nfs/dbraw/zinc/02/39/26/203023926.db2.gz RJFGOJPDRRMUKO-HOTGVXAUSA-N 1 0 318.421 0.295 40 0 DCABRO O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)c1cscn1 ZINC000257279162 203008813 /nfs/dbraw/zinc/00/88/13/203008813.db2.gz OFGXYNXNRAEBDY-DGCLKSJQSA-N 1 0 311.407 0.345 40 0 DCABRO CC(=O)N1CC[N@H+](Cc2cccc(C)n2)C[C@@H](C(=O)N(C)C)C1 ZINC000257292926 203017452 /nfs/dbraw/zinc/01/74/52/203017452.db2.gz QNMHKVSXHGTACJ-OAHLLOKOSA-N 1 0 318.421 0.759 40 0 DCABRO CC(=O)N1CC[N@H+](Cc2ccc3cc[nH]c3c2)C[C@@H](C(N)=O)C1 ZINC000257311318 203035897 /nfs/dbraw/zinc/03/58/97/203035897.db2.gz UIXIRKVJGSYMJN-OAHLLOKOSA-N 1 0 314.389 0.934 40 0 DCABRO COCC(=O)N1C[C@@H](O)[C@H]([N@H+](C)Cc2ccc(OC)cc2)C1 ZINC000257319246 203043355 /nfs/dbraw/zinc/04/33/55/203043355.db2.gz VRMLWVKCIAIXBW-HUUCEWRRSA-N 1 0 308.378 0.345 40 0 DCABRO CCn1nc(CC(=O)N(C)CC[NH+](C)C)c2ccccc2c1=O ZINC000019523689 182128572 /nfs/dbraw/zinc/12/85/72/182128572.db2.gz KXZXBDDXNXYRCJ-UHFFFAOYSA-N 1 0 316.405 0.979 40 0 DCABRO CN(CCc1ccccc1)[C@H]1[C@@H](C[NH+](C)C)O[C@@H](CO)[C@H]1O ZINC000020465839 182220926 /nfs/dbraw/zinc/22/09/26/182220926.db2.gz MJRBJGNDMRPFDD-LTIDMASMSA-N 1 0 308.422 0.212 40 0 biogenic,in-vitro DCABRO O=C1[C@@H]2CCCN2c2ncccc2N1CC1(O)CC[NH2+]CC1 ZINC000019346548 296420774 /nfs/dbraw/zinc/42/07/74/296420774.db2.gz WYXXIHMZNVHQKI-ZDUSSCGKSA-N 1 0 302.378 0.512 40 0 DCABRO CNC(=O)[C@@H]1CN(C(=O)CC2(O)CCCCC2)CC[N@H+](C)C1 ZINC000257326563 256622227 /nfs/dbraw/zinc/62/22/27/256622227.db2.gz WXQSAZQJVGGNQN-ZDUSSCGKSA-N 1 0 311.426 0.208 40 0 DCABRO CCCCCC(=O)N[C@H]1CO[C@@H](CN2CC[NH+](C)CC2)[C@@H]1O ZINC000514288652 257215935 /nfs/dbraw/zinc/21/59/35/257215935.db2.gz JUSSKVQRTQDYII-OFQRWUPVSA-N 1 0 313.442 0.059 40 0 biogenic,in-vitro DCABRO CNC(=O)COc1ccccc1OC[C@@H](O)C[NH2+]C(C)(C)C ZINC000001853833 395681313 /nfs/dbraw/zinc/68/13/13/395681313.db2.gz UWCBNAVPISMFJZ-LBPRGKRZSA-N 1 0 310.394 0.939 40 0 in-man DCABRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN1CC[NH2+]CC1 ZINC000036138905 395722451 /nfs/dbraw/zinc/72/24/51/395722451.db2.gz NDFNMZNUZCXDAG-ZDUSSCGKSA-N 1 0 312.439 0.265 40 0 DCABRO COCCNC(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccn2)O1 ZINC000096057338 395741960 /nfs/dbraw/zinc/74/19/60/395741960.db2.gz CKNDGPVRQSTLOU-OAGGEKHMSA-N 1 0 319.405 0.966 40 0 DCABRO Cn1cc(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)NC4CC4)[C@@H]3C2)cn1 ZINC000096058285 395742042 /nfs/dbraw/zinc/74/20/42/395742042.db2.gz YWQITGQFPGOVQH-OWCLPIDISA-N 1 0 318.421 0.926 40 0 DCABRO COC(=O)CCC(=O)N1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC000096080930 395743428 /nfs/dbraw/zinc/74/34/28/395743428.db2.gz LAYMJYJCQJXHHA-KBPBESRZSA-N 1 0 317.389 0.925 40 0 DCABRO COCC(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1cccs1)C2 ZINC000096108390 395744717 /nfs/dbraw/zinc/74/47/17/395744717.db2.gz MCBUKNYRZFXHGC-DOMZBBRYSA-N 1 0 310.419 0.959 40 0 DCABRO CN(C)C(=O)COC[C@]12COC[C@H]1C[N@H+](Cc1ccco1)C2 ZINC000096108688 395745001 /nfs/dbraw/zinc/74/50/01/395745001.db2.gz JYNJCTCEYJIRCO-CJNGLKHVSA-N 1 0 308.378 0.833 40 0 DCABRO CCN1C(=O)C[C@H](c2cnn(C)c2)C12CC[NH+](CCO)CC2 ZINC000096261222 395752426 /nfs/dbraw/zinc/75/24/26/395752426.db2.gz UGIOBECWUTUZNI-CQSZACIVSA-N 1 0 306.410 0.583 40 0 DCABRO CNC(=O)[C@]12C[N@H+](CC3CC3)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251126 395751832 /nfs/dbraw/zinc/75/18/32/395751832.db2.gz YCLRAJVSWVXFIC-RHSMWYFYSA-N 1 0 315.421 0.903 40 0 DCABRO CNC(=O)[C@]12C[N@H+](CCOC)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251128 395751926 /nfs/dbraw/zinc/75/19/26/395751926.db2.gz ZKRILANDTDZHQC-CZUORRHYSA-N 1 0 319.409 0.140 40 0 DCABRO COCCN1CCO[C@H]2CCN(C(=O)c3ccnnc3)C[C@@H]21 ZINC000108525474 395789845 /nfs/dbraw/zinc/78/98/45/395789845.db2.gz YAMQFKWEEODLHG-KBPBESRZSA-N 1 0 306.366 0.038 40 0 DCABRO CCOC(=O)[C@@]1(C[NH3+])[C@@H](c2ccc(F)cc2)[C@@H]1S(C)(=O)=O ZINC000218536394 395842989 /nfs/dbraw/zinc/84/29/89/395842989.db2.gz CLEKZLFEZSGJQW-OBJOEFQTSA-N 1 0 315.366 0.844 40 0 DCABRO C[NH+](C)CC(=O)N1CC2(C1)OCC[C@H]2COc1ccccn1 ZINC000247954762 395980524 /nfs/dbraw/zinc/98/05/24/395980524.db2.gz CQVLCDZGPLNBFL-ZDUSSCGKSA-N 1 0 305.378 0.640 40 0 DCABRO C[NH+](C)CC(=O)N1CC2(C1)C[C@H](OCc1ccncc1)CCO2 ZINC000248021836 395981099 /nfs/dbraw/zinc/98/10/99/395981099.db2.gz RLORTWMBAQAYAB-OAHLLOKOSA-N 1 0 319.405 0.920 40 0 DCABRO CNC(=O)CCc1cc([C@@H]2CCCN(C(=O)C[NH3+])C2)nc(C)n1 ZINC000257207049 396037167 /nfs/dbraw/zinc/03/71/67/396037167.db2.gz BGDRFDYCXUHBJV-GFCCVEGCSA-N 1 0 319.409 0.128 40 0 DCABRO C[NH+]1CCC(NC2(Cc3cc(C(C)(C)O)on3)COC2)CC1 ZINC000067897927 396038006 /nfs/dbraw/zinc/03/80/06/396038006.db2.gz PQSSLTIJOYWHTD-UHFFFAOYSA-N 1 0 309.410 0.897 40 0 biogenic,in-vitro DCABRO CNC(=O)[C@@H]1CN(C(C)=O)CC[N@H+](Cc2cccc(C)n2)C1 ZINC000257238770 396041822 /nfs/dbraw/zinc/04/18/22/396041822.db2.gz HMLZAINGIWGREK-AWEZNQCLSA-N 1 0 304.394 0.416 40 0 DCABRO CC(=O)N1CC[N@@H+](CCc2ccccc2)C[C@@H]1C(=O)N(C)C ZINC000257242800 396042557 /nfs/dbraw/zinc/04/25/57/396042557.db2.gz IEEODPOYZHQXMG-MRXNPFEDSA-N 1 0 303.406 0.850 40 0 DCABRO CCn1nc(C(=O)N[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)cc1C ZINC000257247891 396043595 /nfs/dbraw/zinc/04/35/95/396043595.db2.gz JBAKYJFYCFDHRN-BPLDGKMQSA-N 1 0 306.410 0.929 40 0 DCABRO C[N@H+](C1CCOCC1)[C@H]1CCN(C(=O)c2ccon2)CC[C@@H]1O ZINC000257256638 396044409 /nfs/dbraw/zinc/04/44/09/396044409.db2.gz KMHYCTPGKIUWIX-GJZGRUSLSA-N 1 0 323.393 0.751 40 0 DCABRO CO[C@@H]1CCN(C(=O)/C=C/C[NH+](C)C)C[C@H]1CC(=O)N(C)C ZINC000585290638 396647247 /nfs/dbraw/zinc/64/72/47/396647247.db2.gz ZCTYTYCBJPGHOP-JLVOYYQZSA-N 1 0 311.426 0.446 40 0 DCABRO CC(C)C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ncn(C)n3)C[C@@H]2C1 ZINC000585108010 396640005 /nfs/dbraw/zinc/64/00/05/396640005.db2.gz VIJJEXIXOLPVQF-QWHCGFSZSA-N 1 0 307.398 0.244 40 0 DCABRO Cn1cc(C[NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)nn1 ZINC000608053643 397715250 /nfs/dbraw/zinc/71/52/50/397715250.db2.gz XKKUOOZYUZRTPL-UHFFFAOYSA-N 1 0 320.397 0.550 40 0 DCABRO C[NH+](C)CCNC(=O)C(=O)NCCc1c[nH]c2ccccc12 ZINC000009910073 415144381 /nfs/dbraw/zinc/14/43/81/415144381.db2.gz BAGBYJIQMQFQBS-UHFFFAOYSA-N 1 0 302.378 0.504 40 0 DCABRO C[NH+](C)Cc1cnc2n1CCN(C(=O)c1ccnnc1)CC2 ZINC000096196796 415576318 /nfs/dbraw/zinc/57/63/18/415576318.db2.gz IIVFADOXNTYVGS-UHFFFAOYSA-N 1 0 300.366 0.433 40 0 DCABRO COCC[N@@H+]1CCO[C@@H]2CN(C(=O)c3cnoc3C)CC[C@@H]2C1 ZINC000096249605 415576432 /nfs/dbraw/zinc/57/64/32/415576432.db2.gz ZZDMSCYALOXOHL-UKRRQHHQSA-N 1 0 323.393 0.792 40 0 DCABRO CC(C)NC(=O)N1CC[N@H+](CC2CC2)C[C@]2(CC(=O)N(C)C2)C1 ZINC000096036118 415570912 /nfs/dbraw/zinc/57/09/12/415570912.db2.gz AGOWYPROFIDKNI-QGZVFWFLSA-N 1 0 322.453 0.981 40 0 DCABRO O=C(N1CCCO1)[C@]12COC[C@H]1C[N@H+](Cc1cccnc1)C2 ZINC000096110138 415577381 /nfs/dbraw/zinc/57/73/81/415577381.db2.gz VFICDAXOCYOQDE-GDBMZVCRSA-N 1 0 303.362 0.694 40 0 DCABRO CNC(=O)[C@H]1CN(Cc2c[nH]cn2)CC[N@@H+](C2CCOCC2)C1 ZINC000257332938 416335375 /nfs/dbraw/zinc/33/53/75/416335375.db2.gz XZJTVHNTIAYVSG-ZDUSSCGKSA-N 1 0 321.425 0.069 40 0 DCABRO COC[C@H]1CC2(CN1c1ncccn1)CC[NH+](CCO)CC2 ZINC000096240376 274052086 /nfs/dbraw/zinc/05/20/86/274052086.db2.gz UNONMPMAOFHPNP-CQSZACIVSA-N 1 0 306.410 0.776 40 0 DCABRO Cn1ccnc1C(=O)N[C@@H]1C[N@H+]([C@@H]2CCOC2)[C@@H]2CCCO[C@H]12 ZINC000096185935 279373467 /nfs/dbraw/zinc/37/34/67/279373467.db2.gz UHFGZSZOUFWVAU-AAVRWANBSA-N 1 0 320.393 0.171 40 0 DCABRO Cc1cc(N)cc([C@H]2CN(C(=O)c3nccn3C)CCO2)[nH+]1 ZINC000257224307 280539542 /nfs/dbraw/zinc/53/95/42/280539542.db2.gz FBFWSLLEITULJW-CYBMUJFWSA-N 1 0 301.350 0.919 40 0 DCABRO CC1(C)OC2=C(O1)[C@@H](C[NH3+])OC2n1cnc2c1ncnc2N ZINC001560407713 1012448805 /nfs/dbraw/zinc/44/88/05/1012448805.db2.gz YXFSFWWSLDAEIN-ZCFIWIBFSA-N 1 0 303.302 0.098 40 0 DCABRO C[NH2+]CC1O[C@@H](n2cnc3c2ncnc3N)[C@@H]2OC(C)(C)O[C@H]12 ZINC001560406169 1012449630 /nfs/dbraw/zinc/44/96/30/1012449630.db2.gz FPTNRSXUHLZHON-GIPNMCIBSA-N 1 0 319.345 0.209 40 0 DCABRO COCC(=O)N1CCC2(C[C@H](CN3CC[NH+](C)CC3)O2)CC1 ZINC000306139664 231090303 /nfs/dbraw/zinc/09/03/03/231090303.db2.gz TWVAASASDJPFTB-CQSZACIVSA-N 1 0 311.426 0.030 40 0 DCABRO CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1ncccn1 ZINC000072365972 191135318 /nfs/dbraw/zinc/13/53/18/191135318.db2.gz ROVXWLHJKSVTRE-HNNXBMFYSA-N 1 0 311.389 0.913 40 0 DCABRO COCC[N@@H+]1CCC[C@@H](c2cc(C(=O)N3CCOCC3)[nH]n2)C1 ZINC000257274248 203000837 /nfs/dbraw/zinc/00/08/37/203000837.db2.gz NKEVHHVFXQEDIF-CYBMUJFWSA-N 1 0 322.409 0.708 40 0 DCABRO C[N@@H+]1CCN(C(=O)C2=Cc3ccccc3OC2)C[C@H](C(N)=O)C1 ZINC000257299051 203022906 /nfs/dbraw/zinc/02/29/06/203022906.db2.gz RONJVTHXINGFKA-CQSZACIVSA-N 1 0 315.373 0.338 40 0 DCABRO O=C(NCCO)c1sc2ncccc2c1[C@H]1C[NH2+]CCO1 ZINC000257307081 203033019 /nfs/dbraw/zinc/03/30/19/203033019.db2.gz SXDANQORTBPZQZ-SNVBAGLBSA-N 1 0 307.375 0.679 40 0 DCABRO C[NH2+][C@H]1CC2(CCN(C(=O)c3cnco3)CC2)OC[C@]1(C)O ZINC000257307274 203033078 /nfs/dbraw/zinc/03/30/78/203033078.db2.gz SXYXDNTYIVCKNT-JSGCOSHPSA-N 1 0 309.366 0.409 40 0 DCABRO CNC(=O)[C@@H]1CN(Cc2cccc(OCCO)c2)CC[N@H+](C)C1 ZINC000257277278 203006479 /nfs/dbraw/zinc/00/64/79/203006479.db2.gz NXERYFDQYJBZBU-HNNXBMFYSA-N 1 0 321.421 0.167 40 0 DCABRO CC(=O)NC[C@]1(O)C[N@H+](Cc2cc3ccccc3s2)C[C@H]1O ZINC000257294498 203018545 /nfs/dbraw/zinc/01/85/45/203018545.db2.gz QULCGKOPOBWKAG-CVEARBPZSA-N 1 0 320.414 0.945 40 0 DCABRO CC(=O)Nc1cnn(CC2CC[NH+]([C@H]3COC[C@H]3O)CC2)c1 ZINC000257312554 203037487 /nfs/dbraw/zinc/03/74/87/203037487.db2.gz UOMMJXOTBVRTSB-LSDHHAIUSA-N 1 0 308.382 0.313 40 0 DCABRO CNC(=O)[C@H]1CN(C(=O)c2ccnn2C(C)C)CC[N@H+](C)C1 ZINC000257336441 203059059 /nfs/dbraw/zinc/05/90/59/203059059.db2.gz YOKVOJFXBDADHM-GFCCVEGCSA-N 1 0 307.398 0.214 40 0 DCABRO CC(=O)NCc1c[nH]c([C@@H]2CCN(C(=O)C3([NH3+])CCCC3)C2)n1 ZINC000257338482 203061307 /nfs/dbraw/zinc/06/13/07/203061307.db2.gz YXPNWQBLJOEHMK-GFCCVEGCSA-N 1 0 319.409 0.633 40 0 DCABRO Cc1cnn(CC(=O)N(C)[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)c1 ZINC000257341094 203063552 /nfs/dbraw/zinc/06/35/52/203063552.db2.gz ZIUYZMMYMCUXHN-IIAWOOMASA-N 1 0 306.410 0.638 40 0 DCABRO O=C1CCC(=O)N1CCN1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000096452053 193653467 /nfs/dbraw/zinc/65/34/67/193653467.db2.gz VFUIFMLWKCLJDR-ZNMIVQPWSA-N 1 0 305.422 0.942 40 0 DCABRO CC[NH+](CC)CCCOC(=O)C=Cc1c(C)[nH]c(=O)[nH]c1=O ZINC000017020784 182068218 /nfs/dbraw/zinc/06/82/18/182068218.db2.gz PKAHNGYBKCLKLY-FPLPWBNLSA-N 1 0 309.366 0.660 40 0 DCABRO CC[N@@H+]1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3cccnc3)C2)C1 ZINC000514290426 257215014 /nfs/dbraw/zinc/21/50/14/257215014.db2.gz ZDPXIKBYGJIGGV-HZPDHXFCSA-N 1 0 302.422 0.407 40 0 biogenic,in-vitro DCABRO COc1ccc(NC(=O)C[C@H]2OCCN(CC[NH3+])C2=O)cc1 ZINC000008559496 395684721 /nfs/dbraw/zinc/68/47/21/395684721.db2.gz UIZHGWXVZKOPAH-CYBMUJFWSA-N 1 0 307.350 0.210 40 0 DCABRO COCCO[C@@H]1C[C@H]2CN(C(=O)c3ccc(C)nc3)CC[N@@H+]2C1 ZINC000096183198 395747128 /nfs/dbraw/zinc/74/71/28/395747128.db2.gz MODYMCHXBDPQMZ-JKSUJKDBSA-N 1 0 319.405 0.952 40 0 DCABRO C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)[C@H]3CCCO3)CC[C@@H]21 ZINC000096185630 395747808 /nfs/dbraw/zinc/74/78/08/395747808.db2.gz UDARFPDYJFNEIJ-CBBWQLFWSA-N 1 0 319.409 0.378 40 0 DCABRO c1nc2n(c1CN1CCOCC1)CC[N@H+](C1CCOCC1)CC2 ZINC000096196919 395748359 /nfs/dbraw/zinc/74/83/59/395748359.db2.gz AIKNCQUZLZTROH-UHFFFAOYSA-N 1 0 320.437 0.752 40 0 DCABRO COCC(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2CC[NH+]1CCCC1 ZINC000096064688 395742710 /nfs/dbraw/zinc/74/27/10/395742710.db2.gz BBSRVUPPODVSHQ-KBPBESRZSA-N 1 0 309.410 0.321 40 0 DCABRO COCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cnn(C)c1)C2 ZINC000096071647 395742930 /nfs/dbraw/zinc/74/29/30/395742930.db2.gz UGXKQMRHCLYDBF-MRXNPFEDSA-N 1 0 306.410 0.881 40 0 DCABRO C[NH+](C)CC(=O)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC000096072516 395743088 /nfs/dbraw/zinc/74/30/88/395743088.db2.gz ATAAXPFOLVMUFV-HOCLYGCPSA-N 1 0 305.378 0.782 40 0 DCABRO COCC(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1ccccn1)C2 ZINC000096108398 395744670 /nfs/dbraw/zinc/74/46/70/395744670.db2.gz HGYVEWDZLZRJLN-CJNGLKHVSA-N 1 0 305.378 0.293 40 0 DCABRO COCC[N@@H+]1CC[C@@]2(C1)COCCN(C(=O)c1ccccn1)C2 ZINC000096202004 395749586 /nfs/dbraw/zinc/74/95/86/395749586.db2.gz ASRLQSWDKDPGLH-KRWDZBQOSA-N 1 0 319.405 0.893 40 0 DCABRO Cn1cc(C[N@@H+]2C[C@@H]3C[C@H](CC(=O)N4CCC4)O[C@@H]3C2)cn1 ZINC000096219629 395750077 /nfs/dbraw/zinc/75/00/77/395750077.db2.gz OINQOXVASSMEPE-RRFJBIMHSA-N 1 0 304.394 0.632 40 0 DCABRO CC(C)[N@@H+]1CCOC[C@@]2(CN(C(=O)c3ccnnc3)CCO2)C1 ZINC000096229383 395750156 /nfs/dbraw/zinc/75/01/56/395750156.db2.gz VEEMBCPHPRAMQF-INIZCTEOSA-N 1 0 320.393 0.428 40 0 DCABRO COc1ncccc1CN1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC000096246465 395751491 /nfs/dbraw/zinc/75/14/91/395751491.db2.gz UVDSWUWDHIIHLH-CVEARBPZSA-N 1 0 320.437 0.537 40 0 DCABRO Cc1cccc2nc(C(=O)N3C[C@@H](O)[C@H]([NH+]4CCCC4)C3)cn21 ZINC000257208169 396036716 /nfs/dbraw/zinc/03/67/16/396036716.db2.gz BLAMRCSJGANZMB-HUUCEWRRSA-N 1 0 314.389 0.924 40 0 DCABRO C[NH+](C)[C@@H]1CN(C(=O)c2ccc(-n3cccn3)nc2)C[C@H]1O ZINC000257220545 396038594 /nfs/dbraw/zinc/03/85/94/396038594.db2.gz DLEPGSVOHLQQBF-CHWSQXEVSA-N 1 0 301.350 0.014 40 0 DCABRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)CN2CCOCC2)cc1 ZINC000257215133 396039151 /nfs/dbraw/zinc/03/91/51/396039151.db2.gz COVPDYSVKYLIRX-INIZCTEOSA-N 1 0 319.405 0.500 40 0 DCABRO C[NH+](C)C[C@]1(O)CCN(S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000257227792 396041302 /nfs/dbraw/zinc/04/13/02/396041302.db2.gz FQXKBYWBJZQNSY-CYBMUJFWSA-N 1 0 320.361 0.652 40 0 DCABRO Cc1nc2cc(C(=O)N3CC[N@@H+](C)C[C@H](C(N)=O)C3)ccc2[nH]1 ZINC000257241211 396042510 /nfs/dbraw/zinc/04/25/10/396042510.db2.gz HXDOZIDDWCIPAL-LBPRGKRZSA-N 1 0 315.377 0.360 40 0 DCABRO Cn1nccc1C(=O)N1[C@@H](C[NH3+])C[C@]2(C)[C@H]1CCCC[C@H]2O ZINC000257247809 396042565 /nfs/dbraw/zinc/04/25/65/396042565.db2.gz JAPCADUWDUXJPG-XKVFNRALSA-N 1 0 306.410 0.903 40 0 DCABRO COC(=O)c1ccc(CS(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000044946756 415236251 /nfs/dbraw/zinc/23/62/51/415236251.db2.gz YNUBWKWBLRVHOC-UHFFFAOYSA-N 1 0 314.407 0.844 40 0 DCABRO CC(=O)Nc1ccc(CN2C[C@@H]3[C@H](C2)OCC(=O)N3C)cc1 ZINC000067897260 415390707 /nfs/dbraw/zinc/39/07/07/415390707.db2.gz AXRGCAKARPZJJV-CABCVRRESA-N 1 0 303.362 0.686 40 0 biogenic,in-vitro DCABRO CC(C)C[N@@H+]1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N(C)C ZINC000096250926 415575442 /nfs/dbraw/zinc/57/54/42/415575442.db2.gz RPNMIQNYEBFKJW-YNEHKIRRSA-N 1 0 302.440 0.466 40 0 DCABRO CN(C)C(=O)C[NH+]1CCC2(C[C@H](Nc3ncccn3)CO2)CC1 ZINC000096221658 273787715 /nfs/dbraw/zinc/78/77/15/273787715.db2.gz VZANFQQPPWGLAP-ZDUSSCGKSA-N 1 0 319.409 0.600 40 0 DCABRO CN(C)C(=O)c1cnn(CC2CC[NH+]([C@@H]3COC[C@H]3O)CC2)c1 ZINC000257267815 289034967 /nfs/dbraw/zinc/03/49/67/289034967.db2.gz MIWZKQYULJKJBN-HUUCEWRRSA-N 1 0 322.409 0.057 40 0 DCABRO CN(C)C(=O)NC[C@H]1CO[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]12 ZINC000306142256 231092054 /nfs/dbraw/zinc/09/20/54/231092054.db2.gz WUROSLRVFPGCPT-NWANDNLSSA-N 1 0 304.394 0.800 40 0 DCABRO COC(=O)c1cccc(S(=O)(=O)NC2CC[NH+](C)CC2)c1 ZINC000225597533 186281397 /nfs/dbraw/zinc/28/13/97/186281397.db2.gz BWFYUAMLQIIEGO-UHFFFAOYSA-N 1 0 312.391 0.846 40 0 DCABRO O=C(c1cccc([C@@H]2CCC[N@@H+](CCO)C2)n1)N1CCOCC1 ZINC000072358298 191130338 /nfs/dbraw/zinc/13/03/38/191130338.db2.gz SAWMPGKHGSWIRI-CQSZACIVSA-N 1 0 319.405 0.726 40 0 DCABRO Cc1ccc(C(=O)N[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)c(=O)n1C ZINC000257295920 203021360 /nfs/dbraw/zinc/02/13/60/203021360.db2.gz RALLIWAJPKLYFX-RBSFLKMASA-N 1 0 319.405 0.411 40 0 DCABRO CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1NC(=O)CCc1ccccc1F ZINC000257330209 203052591 /nfs/dbraw/zinc/05/25/91/203052591.db2.gz XNJURCHIRMASCK-OCCSQVGLSA-N 1 0 307.369 0.551 40 0 DCABRO CN(C)C(=O)C1(CCCc2cnccn2)CC[NH+](CCO)CC1 ZINC000257320662 203044939 /nfs/dbraw/zinc/04/49/39/203044939.db2.gz VXVAFBHNVCNGII-UHFFFAOYSA-N 1 0 320.437 0.962 40 0 DCABRO COc1cccc(NC(=O)C[C@H]2OCCN(CC[NH3+])C2=O)c1 ZINC000017031530 182069381 /nfs/dbraw/zinc/06/93/81/182069381.db2.gz ARUMXRUSDPKQAF-CYBMUJFWSA-N 1 0 307.350 0.210 40 0 DCABRO C[NH+]1CCN(CCCNC(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000022829644 182336114 /nfs/dbraw/zinc/33/61/14/182336114.db2.gz BPGSCYMYKUKASJ-INIZCTEOSA-N 1 0 319.405 0.580 40 0 DCABRO COCC(=O)N[C@H]1CO[C@@H](C[N@H+](C)CCc2ccccc2)[C@@H]1O ZINC000514289071 257215988 /nfs/dbraw/zinc/21/59/88/257215988.db2.gz RBWYFNIBMRDUBZ-YQQAZPJKSA-N 1 0 322.405 0.052 40 0 biogenic,in-vitro DCABRO COc1ccc(C[C@@H](NC(C)=O)C(=O)N2CC[NH2+]CC2)cc1 ZINC000013997788 395688906 /nfs/dbraw/zinc/68/89/06/395688906.db2.gz WKBNDPHVGNEKMB-OAHLLOKOSA-N 1 0 305.378 0.174 40 0 DCABRO CC(=O)N[C@]12C[N@H+](C)C[C@H]1CN(C(=O)Cc1ccccc1)CC2 ZINC000019711721 395691020 /nfs/dbraw/zinc/69/10/20/395691020.db2.gz JWKBDKFBPXGLQG-FUHWJXTLSA-N 1 0 315.417 0.898 40 0 DCABRO COCCO[C@@H]1C[C@H]2CN(C(=O)c3ccncc3)CC[N@@H+]2C1 ZINC000096183191 395747366 /nfs/dbraw/zinc/74/73/66/395747366.db2.gz MXNHMISWPHJBNG-LSDHHAIUSA-N 1 0 305.378 0.643 40 0 DCABRO O=C(N[C@H]1C[N@H+](C[C@@H]2CCOC2)[C@@H]2CCCO[C@@H]21)c1ccno1 ZINC000096186899 395747756 /nfs/dbraw/zinc/74/77/56/395747756.db2.gz UPZYMIGPFFCLMH-RMRHIDDWSA-N 1 0 321.377 0.673 40 0 DCABRO O=C(c1cnccn1)N1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC000096197227 395748261 /nfs/dbraw/zinc/74/82/61/395748261.db2.gz NGELJHAPZLXBTC-UHFFFAOYSA-N 1 0 312.377 0.925 40 0 DCABRO c1nc2n(c1CN1CCOCC1)CC[N@H+]([C@H]1CCOC1)CC2 ZINC000096196918 395748285 /nfs/dbraw/zinc/74/82/85/395748285.db2.gz ATZKLZFWIRDSEJ-AWEZNQCLSA-N 1 0 306.410 0.362 40 0 DCABRO O=C([C@@H]1COC[C@H]2C[N@H+](CCN3CCCC3)C[C@H]21)N1CCCO1 ZINC000096064500 395742373 /nfs/dbraw/zinc/74/23/73/395742373.db2.gz ZGTNLNMCAHIGKT-BZUAXINKSA-N 1 0 323.437 0.441 40 0 DCABRO O=C(NC1CC1)[C@H]1C[C@@H]2CCN(CC[NH+]3CCCC3)C[C@@H]2O1 ZINC000096066291 395742653 /nfs/dbraw/zinc/74/26/53/395742653.db2.gz HLVXCPQMYJCQBP-IMJJTQAJSA-N 1 0 307.438 0.840 40 0 DCABRO CS(=O)(=O)N[C@@H]1COC[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000096100493 395744291 /nfs/dbraw/zinc/74/42/91/395744291.db2.gz QAWHHRAODFMVFK-MELADBBJSA-N 1 0 311.407 0.078 40 0 DCABRO C[NH+](C)CCN1CC[C@@]2(CC(C(=O)NCc3ccco3)=NO2)C1 ZINC000096225883 395750332 /nfs/dbraw/zinc/75/03/32/395750332.db2.gz PYUASDHUBBATCP-MRXNPFEDSA-N 1 0 320.393 0.678 40 0 DCABRO CCS(=O)(=O)[C@H]1[C@H](c2ccc3c(c2)OCO3)[C@@]1(C[NH3+])CO ZINC000218144634 395841478 /nfs/dbraw/zinc/84/14/78/395841478.db2.gz GFGHAPQXAMBNIF-MELADBBJSA-N 1 0 313.375 0.253 40 0 DCABRO Cn1nccc1CCC(=O)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257213953 396037896 /nfs/dbraw/zinc/03/78/96/396037896.db2.gz CJVGRNKTYKLXIL-BFYDXBDKSA-N 1 0 320.437 0.847 40 0 DCABRO COCC(=O)NCc1cnc2cc(C)nn2c1[C@@H]1CCC[NH2+]1 ZINC000257244468 396042534 /nfs/dbraw/zinc/04/25/34/396042534.db2.gz ILLMYGDZGHJRHC-LBPRGKRZSA-N 1 0 303.366 0.725 40 0 DCABRO CN1CCC[N@@H+]([C@H]2CCN(C(=O)CC3CC3)CC[C@@H]2O)CC1 ZINC000257301481 396046066 /nfs/dbraw/zinc/04/60/66/396046066.db2.gz RYOZAIGTAKDJFV-HOTGVXAUSA-N 1 0 309.454 0.776 40 0 DCABRO Cc1ccc(OC[C@@]2(O)COCC[N@H+](CCC(N)=O)C2)cc1 ZINC000585268985 396642802 /nfs/dbraw/zinc/64/28/02/396642802.db2.gz GNTCWDUJTHCVDL-INIZCTEOSA-N 1 0 308.378 0.313 40 0 DCABRO C[C@H]1[C@H](O)[C@H](O)[C@@H](CO)[N@@H+]1Cc1cn(C)c2cc(F)ccc12 ZINC000585293890 396648361 /nfs/dbraw/zinc/64/83/61/396648361.db2.gz BNKXHHAZPAJXSI-AKVMBCECSA-N 1 0 308.353 0.604 40 0 DCABRO COC[C@H]1CN(C(=O)c2cnn(C)c2)CC12CC[NH+](C)CC2 ZINC000585103633 396639318 /nfs/dbraw/zinc/63/93/18/396639318.db2.gz QBWRIMQOSJLDIE-CQSZACIVSA-N 1 0 306.410 0.851 40 0 DCABRO CC(C)[N@@H+]1C[C@@H]2COCCN2C2(CN(Cc3cncn3C)C2)C1 ZINC000604381798 397638543 /nfs/dbraw/zinc/63/85/43/397638543.db2.gz PAKWQBNLVWCDMR-MRXNPFEDSA-N 1 0 319.453 0.399 40 0 biogenic,in-vitro DCABRO CCOC[C@H]1CCC2(CCN(S(=O)(=O)N(C)C)CC2)[N@@H+]1C ZINC000096207068 286175453 /nfs/dbraw/zinc/17/54/53/286175453.db2.gz AVTOHHVHEGDGNU-CYBMUJFWSA-N 1 0 319.471 0.758 40 0 DCABRO CC(C)NC(=O)N1CC[N@H+](CC2CC2)C[C@@]2(CNC(=O)C2)C1 ZINC000096036018 415571928 /nfs/dbraw/zinc/57/19/28/415571928.db2.gz CABWFQYGGOWNTJ-MRXNPFEDSA-N 1 0 308.426 0.638 40 0 DCABRO CCS(=O)(=O)CCN1Cc2ccnn2[C@H](CC[NH+](C)C)C1 ZINC000248088373 416333158 /nfs/dbraw/zinc/33/31/58/416333158.db2.gz DZSQGUWDQDSCDG-CQSZACIVSA-N 1 0 314.455 0.626 40 0 DCABRO CN(C)C(=O)[C@@H]1CN(C)CCN1C(=O)CCc1ccccc1 ZINC000257241873 416334953 /nfs/dbraw/zinc/33/49/53/416334953.db2.gz HZZQPLOWKITOCT-HNNXBMFYSA-N 1 0 303.406 0.850 40 0 DCABRO O=C1CO[C@@H]2CC[N@@H+](Cc3ccc(OCCO)cc3)C[C@@H]2N1 ZINC000257335044 416335425 /nfs/dbraw/zinc/33/54/25/416335425.db2.gz YIMDGALNGIIRTO-LSDHHAIUSA-N 1 0 306.362 0.147 40 0 DCABRO CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1NC(=O)c1cn2cc(C)ccc2n1 ZINC000257246997 277009871 /nfs/dbraw/zinc/00/98/71/277009871.db2.gz IWXFJQZWLJRIBP-NEPJUHHUSA-N 1 0 315.377 0.049 40 0 DCABRO CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)C[NH+](CCO)CCO)C2 ZINC000009970715 281541746 /nfs/dbraw/zinc/54/17/46/281541746.db2.gz YFIFEYBQMMKHOO-KLZNWCGWSA-N 1 0 315.454 0.865 40 0 DCABRO C[NH+](C)C[C@@H]1CO[C@]2(C1)COCCN(S(=O)(=O)C1CC1)C2 ZINC000096051964 289203306 /nfs/dbraw/zinc/20/33/06/289203306.db2.gz WNJRAANABOXWLF-OCCSQVGLSA-N 1 0 318.439 0.148 40 0 DCABRO CS(=O)(=O)CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000153518980 525123912 /nfs/dbraw/zinc/12/39/12/525123912.db2.gz NAAQNAMQSIIZIE-ZDUSSCGKSA-N 1 0 317.455 0.691 40 0 DCABRO N=c1nc2ccc(OC[C@@H](O)C[NH+]3CCCCC3)cc2[n+]([O-])[nH]1 ZINC000104281462 534972707 /nfs/dbraw/zinc/97/27/07/534972707.db2.gz TVYCJMRRCIKYPB-NSHDSACASA-N 1 0 320.373 0.285 40 0 DCABRO Cn1cc([C@H]2CC(=O)NC23CC[NH+]([C@@H]2CCOC2)CC3)cn1 ZINC000096199828 282677236 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CCn1cc(C(=O)N(C)[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)cn1 ZINC000257332733 203055109 /nfs/dbraw/zinc/05/51/09/203055109.db2.gz XYLOLXQPDUQLCU-RBSFLKMASA-N 1 0 306.410 0.963 40 0 DCABRO O=C(NCc1ccnc([C@@H]2CCCOC2)n1)C1CC[NH2+]CC1 ZINC000257334168 203056337 /nfs/dbraw/zinc/05/63/37/203056337.db2.gz YEUSFBHYNODUBZ-CYBMUJFWSA-N 1 0 304.394 0.986 40 0 DCABRO COc1ccc(CNC(=O)[C@@H]2C[NH2+]Cc3cn(C)nc32)cc1 ZINC000257334232 203056691 /nfs/dbraw/zinc/05/66/91/203056691.db2.gz YFCNFDSOBKZYAB-CQSZACIVSA-N 1 0 300.362 0.932 40 0 DCABRO C[NH+](C)CC(=O)N1CCO[C@@H]2[C@@H](CNc3ncccn3)CC[C@@H]21 ZINC000096082560 193528911 /nfs/dbraw/zinc/52/89/11/193528911.db2.gz UVLUOPDYSIHRPY-VNHYZAJKSA-N 1 0 319.409 0.456 40 0 DCABRO CCOc1ccc(NC(=O)C[C@@H]2OCCN(CC[NH3+])C2=O)cc1 ZINC000017055735 182073383 /nfs/dbraw/zinc/07/33/83/182073383.db2.gz MUDCXTWHTLCQBJ-AWEZNQCLSA-N 1 0 321.377 0.600 40 0 DCABRO CS(=O)(=O)N[C@H]1COC[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]21 ZINC000306143550 533417341 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CS(=O)(=O)NC[C@@H]1CCC[C@]2(CC[N@H+](CC3CC3)C2)O1 ZINC000096207889 395749468 /nfs/dbraw/zinc/74/94/68/395749468.db2.gz YPFGUABVXKZJQU-UONOGXRCSA-N 1 0 302.440 0.959 40 0 DCABRO Cn1cc(C[N@@H+]2C[C@@H]3C[C@@H](CC(=O)N4CCC4)O[C@@H]3C2)cn1 ZINC000096209843 395749752 /nfs/dbraw/zinc/74/97/52/395749752.db2.gz OINQOXVASSMEPE-SOUVJXGZSA-N 1 0 304.394 0.632 40 0 DCABRO OCC[N@@H+]1CCOC[C@@]2(C[C@H](CNc3ccccn3)CO2)C1 ZINC000096240676 395750961 /nfs/dbraw/zinc/75/09/61/395750961.db2.gz WCVQPAPZPRKBSH-GDBMZVCRSA-N 1 0 307.394 0.593 40 0 DCABRO Cc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC(=O)N(C)C)c1 ZINC000096248700 395751485 /nfs/dbraw/zinc/75/14/85/395751485.db2.gz TUMQZEJINDWXJH-SJORKVTESA-N 1 0 317.433 0.968 40 0 DCABRO C[NH+](C)CCOCc1nnc2n1CCN(C(=O)c1ccc[nH]1)C2 ZINC000096259020 395751792 /nfs/dbraw/zinc/75/17/92/395751792.db2.gz UBVRCTDNLAPMOE-UHFFFAOYSA-N 1 0 318.381 0.340 40 0 DCABRO COC[C@@]1(C[NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(C)(=O)=O ZINC000218133737 395841253 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Cc1cnccc1C[N@H+]1CCOC[C@@](O)(CC(=O)N(C)C)C1 ZINC000585279766 396645426 /nfs/dbraw/zinc/64/54/26/396645426.db2.gz OMSSCYOXDODPCV-MRXNPFEDSA-N 1 0 307.394 0.432 40 0 DCABRO CO[C@H]1CN(C(=O)/C=C/C[NH+](C)C)C[C@@H]1CC(=O)N1CCCC1 ZINC000585289767 396647488 /nfs/dbraw/zinc/64/74/88/396647488.db2.gz NLRXZZQQOLYQBK-KXLSMFKISA-N 1 0 323.437 0.590 40 0 DCABRO COCCn1cc2c(n1)[C@@H](C[NH2+]Cc1cnn(C)c1)OCC2 ZINC000096044294 415572295 /nfs/dbraw/zinc/57/22/95/415572295.db2.gz CZXLNEXQGLMAJX-CQSZACIVSA-N 1 0 305.382 0.667 40 0 DCABRO Cc1cnc(N2CCC3(CC[N@H+]3CC(=O)N(C)C)CC2)nc1 ZINC000096077979 415578538 /nfs/dbraw/zinc/57/85/38/415578538.db2.gz KUNQDRCKZYHWLW-UHFFFAOYSA-N 1 0 303.410 0.918 40 0 DCABRO C[NH+](C)CCNc1nc(NC[C@H]2CCCO2)cc(C2CC2)n1 ZINC000329065110 416148482 /nfs/dbraw/zinc/14/84/82/416148482.db2.gz XPRSALBBHJVLKA-CYBMUJFWSA-N 1 0 305.426 0.762 40 0 DCABRO CN1CCC(N2CC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)CC1 ZINC000257218392 416334877 /nfs/dbraw/zinc/33/48/77/416334877.db2.gz DCZATHCTPRUDLF-NSHDSACASA-N 1 0 312.439 0.697 40 0 DCABRO CC1CC[NH+](CC(=O)N2CC[C@H]3OCC(=O)N(C)[C@H]3C2)CC1 ZINC000257227125 416335126 /nfs/dbraw/zinc/33/51/26/416335126.db2.gz FNUISRXPIMSIDV-UONOGXRCSA-N 1 0 309.410 0.176 40 0 DCABRO C[NH+](C)C[C@@H]1CO[C@]2(C1)COCCN(C(=O)N1CCCC1)C2 ZINC000096051972 289203227 /nfs/dbraw/zinc/20/32/27/289203227.db2.gz XGHDQXHFQOZUQA-ZBFHGGJFSA-N 1 0 311.426 0.871 40 0 DCABRO C[NH2+][C@@H]1CO[C@@H]2CCN(C(=O)c3cncnc3)C[C@@H]2C[C@@]1(C)O ZINC000257267708 202996490 /nfs/dbraw/zinc/99/64/90/202996490.db2.gz MIMHLSNZVWIHBG-ADSMDIBLSA-N 1 0 320.393 0.067 40 0 DCABRO COc1ccc(C)cc1CC(=O)N1CC[N@H+](C)C[C@H](C(N)=O)C1 ZINC000257332517 203054638 /nfs/dbraw/zinc/05/46/38/203054638.db2.gz XXQIKOPHWJJHQN-AWEZNQCLSA-N 1 0 319.405 0.422 40 0 DCABRO C[NH+](C)C[C@@]1(O)CCN(C(=O)CCN2CCc3ccccc32)C1 ZINC000257314892 203039173 /nfs/dbraw/zinc/03/91/73/203039173.db2.gz UZAIEUYTMIKROR-SFHVURJKSA-N 1 0 317.433 0.964 40 0 DCABRO Cc1cc(CN2CC[N@@H+](C3CCOCC3)C[C@@H](C(N)=O)C2)no1 ZINC000257325055 203048960 /nfs/dbraw/zinc/04/89/60/203048960.db2.gz WRGBIVWAFZXNIN-ZDUSSCGKSA-N 1 0 322.409 0.381 40 0 DCABRO COc1ccc(COC[C@H](O)CN2CC[NH2+]CC2)cc1OC ZINC000019419246 182122525 /nfs/dbraw/zinc/12/25/25/182122525.db2.gz ILKNLRBEBVYEPA-CQSZACIVSA-N 1 0 310.394 0.487 40 0 DCABRO OC[C@@H]1O[C@H](CNCc2ccc(F)cc2)[C@H]([NH+]2CCCC2)[C@@H]1O ZINC000020465050 182220964 /nfs/dbraw/zinc/22/09/64/182220964.db2.gz DOIDVTCBOODJLE-LTIDMASMSA-N 1 0 324.396 0.500 40 0 biogenic,in-vitro DCABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](N(CCO)CCO)[C@@H]2[NH2+]CCO ZINC000039738150 183021675 /nfs/dbraw/zinc/02/16/75/183021675.db2.gz ZYCSCYZDDHQTMB-KQTLUZQSSA-N 1 0 300.443 0.048 40 0 DCABRO CCN1C(C)=N[C@@]2(CC[C@@H]3C[N@H+](CC(=O)N(C)C)C[C@@H]32)C1=O ZINC000096261449 285179497 /nfs/dbraw/zinc/17/94/97/285179497.db2.gz LWBVGLCVELPQER-DVOMOZLQSA-N 1 0 306.410 0.436 40 0 DCABRO OC1(Cn2nnc(-c3ccc4c(c3)OCO4)n2)CC[NH2+]CC1 ZINC000012337325 395687466 /nfs/dbraw/zinc/68/74/66/395687466.db2.gz UPPUXOVMIIFQBZ-UHFFFAOYSA-N 1 0 303.322 0.183 40 0 DCABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc(N2CCOCC2)nc1 ZINC000019575826 395690993 /nfs/dbraw/zinc/69/09/93/395690993.db2.gz MRCWZGHVMOHAFZ-HOCLYGCPSA-N 1 0 317.437 0.982 40 0 DCABRO COC(=O)[C@@H]1C[C@@H](C2CCN(S(C)(=O)=O)CC2)[N@H+](C)C1 ZINC000019587775 395691063 /nfs/dbraw/zinc/69/10/63/395691063.db2.gz BKFSDAWHFIXDMJ-NEPJUHHUSA-N 1 0 304.412 0.151 40 0 DCABRO CC(=O)N1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](CC3CC3)CC[C@@H]21 ZINC000096185652 395747667 /nfs/dbraw/zinc/74/76/67/395747667.db2.gz YVAYEPSAJZGNIE-PMPSAXMXSA-N 1 0 303.410 0.999 40 0 DCABRO Cn1ccnc1C(=O)N[C@H]1C[N@H+]([C@H]2CCOC2)[C@@H]2CCCO[C@@H]21 ZINC000096186888 395748033 /nfs/dbraw/zinc/74/80/33/395748033.db2.gz UHFGZSZOUFWVAU-IGQOVBAYSA-N 1 0 320.393 0.171 40 0 DCABRO CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3cccn3C)C[C@H]2[N@@H+]1C(C)C ZINC000096054235 395741687 /nfs/dbraw/zinc/74/16/87/395741687.db2.gz YPIJXHULMBPPSP-AEGPPILISA-N 1 0 318.421 0.694 40 0 DCABRO Cc1cnc(C(=O)N2CCC[C@]3(C2)COCC[N@@H+](C)C3)cn1 ZINC000096076819 395743140 /nfs/dbraw/zinc/74/31/40/395743140.db2.gz MYAOGIKKBVUTHE-INIZCTEOSA-N 1 0 304.394 0.969 40 0 DCABRO CNC(=O)CO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccnc1)C2 ZINC000096073540 395743219 /nfs/dbraw/zinc/74/32/19/395743219.db2.gz UHJXNMAQHYXALH-NVXWUHKLSA-N 1 0 319.405 0.968 40 0 DCABRO Cn1ccnc1CN1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC000096073941 395743357 /nfs/dbraw/zinc/74/33/57/395743357.db2.gz HJLJIRWRBYJUKH-QGZVFWFLSA-N 1 0 319.453 0.796 40 0 DCABRO COCCN1C(C)=N[C@@]2(CC[C@@H]3C[N@H+](CCOC)C[C@@H]32)C1=O ZINC000096261522 395752294 /nfs/dbraw/zinc/75/22/94/395752294.db2.gz YCCFFJKZEZBXHB-IJEWVQPXSA-N 1 0 309.410 0.620 40 0 DCABRO COCC[N@@H+]1CC[C@@]2(C1)COCCN(C(=O)c1cc(C)on1)C2 ZINC000096202001 395749496 /nfs/dbraw/zinc/74/94/96/395749496.db2.gz GYBCUKQMCCWBMQ-INIZCTEOSA-N 1 0 323.393 0.794 40 0 DCABRO CN(C)C(=O)N[C@@H]1CCO[C@]2(CC[N@H+](Cc3cnn(C)c3)C2)C1 ZINC000096209226 395749569 /nfs/dbraw/zinc/74/95/69/395749569.db2.gz TUPZJBXCUCTUKK-GDBMZVCRSA-N 1 0 321.425 0.815 40 0 DCABRO Cn1cc(CN2CCC3(CC2)C(=O)NCC[N@H+]3CC2CC2)cn1 ZINC000096230420 395751143 /nfs/dbraw/zinc/75/11/43/395751143.db2.gz VHLFZAZFLDVFGI-UHFFFAOYSA-N 1 0 317.437 0.597 40 0 DCABRO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 ZINC000096245302 395751454 /nfs/dbraw/zinc/75/14/54/395751454.db2.gz DVBDOXLHUHSQFB-ZFWWWQNUSA-N 1 0 319.380 0.804 40 0 DCABRO COC(=O)c1cc(S(=O)(=O)NCC[NH+](C)C)ccc1C ZINC000136434391 395946862 /nfs/dbraw/zinc/94/68/62/395946862.db2.gz SWXUBJBZURWMCY-UHFFFAOYSA-N 1 0 300.380 0.622 40 0 DCABRO C[NH+]1CCC(C(=O)N2CCO[C@@H](c3cccc(N)n3)C2)CC1 ZINC000257258279 396044546 /nfs/dbraw/zinc/04/45/46/396044546.db2.gz KTDDAQHZRHNKNN-CQSZACIVSA-N 1 0 304.394 0.906 40 0 DCABRO O=C(NC[C@H]1OC[C@@H]([NH2+]C2CCC(F)(F)CC2)[C@@H]1O)C1CC1 ZINC000077263942 396216260 /nfs/dbraw/zinc/21/62/60/396216260.db2.gz PLDODJQHYFEKDE-UPJWGTAASA-N 1 0 318.364 0.808 40 0 biogenic,in-vitro DCABRO Cn1cc(C[NH2+]C[C@@H]2COC[C@@H](O)[C@H]2O)c2cc(F)ccc21 ZINC000585286072 396646019 /nfs/dbraw/zinc/64/60/19/396646019.db2.gz IYSTTWRLXIYOAQ-LYRGGWFBSA-N 1 0 308.353 0.775 40 0 DCABRO COCC[N@@H+]1CCOC[C@@]2(CC(=O)N(c3ccncn3)C2)C1 ZINC000585104071 396639346 /nfs/dbraw/zinc/63/93/46/396639346.db2.gz IKBDUHFNTFCPKW-HNNXBMFYSA-N 1 0 306.366 0.178 40 0 DCABRO Cn1cnc(C(=O)N2CC[C@@H]3C[N@H+](CC4CC4)CCO[C@@H]3C2)n1 ZINC000585108295 396639913 /nfs/dbraw/zinc/63/99/13/396639913.db2.gz UBCVTNJDVVIBMR-ZIAGYGMSSA-N 1 0 319.409 0.388 40 0 DCABRO Cc1cc2c(nc3n(c2=O)CCN(C(=O)CCC[NH3+])CC3)s1 ZINC000012255054 415151208 /nfs/dbraw/zinc/15/12/08/415151208.db2.gz MFBFYPPCZKIKLM-UHFFFAOYSA-N 1 0 320.418 0.890 40 0 DCABRO CNC(=O)[C@@H]1C[C@H]2C[N@H+](CC3CCOCC3)C[C@H]2N1C(C)C ZINC000096054242 415575475 /nfs/dbraw/zinc/57/54/75/415575475.db2.gz YXCNHHKWYCFXQX-HRCADAONSA-N 1 0 309.454 0.942 40 0 DCABRO c1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)nc(N2CCOCC2)n1 ZINC000253588844 416334690 /nfs/dbraw/zinc/33/46/90/416334690.db2.gz VUBDWJHMLFXSDK-INIZCTEOSA-N 1 0 317.437 0.983 40 0 DCABRO C[N@@H+]1CCN(C(=O)C2CCC(F)(F)CC2)C[C@@H](C(N)=O)C1 ZINC000257312915 416335246 /nfs/dbraw/zinc/33/52/46/416335246.db2.gz UQEJRENUCAUQIF-NSHDSACASA-N 1 0 303.353 0.687 40 0 DCABRO CN(C(=O)c1cccnn1)[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257328163 416335253 /nfs/dbraw/zinc/33/52/53/416335253.db2.gz XELCRWPDKLFUDM-RBSFLKMASA-N 1 0 304.394 0.926 40 0 DCABRO CCOC[C@@H]1C[N@H+](C)C2(CN(C(=O)c3cc(=O)[nH]cn3)C2)C1 ZINC000585093779 416518031 /nfs/dbraw/zinc/51/80/31/416518031.db2.gz FPYXTSHOHMOAPC-NSHDSACASA-N 1 0 306.366 0.365 40 0 DCABRO O=S1(=O)C[C@H](NCC[NH2+]Cc2cccc(Cl)c2)[C@H](O)C1 ZINC000575421408 417535921 /nfs/dbraw/zinc/53/59/21/417535921.db2.gz QKOUQXKPYZDAAX-QWHCGFSZSA-N 1 0 318.826 0.177 40 0 DCABRO Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC000072336070 282007099 /nfs/dbraw/zinc/00/70/99/282007099.db2.gz LNKNFXBZVUVFHM-OCCSQVGLSA-N 1 0 316.405 0.662 40 0 DCABRO COC[C@H]1CCC2(CCN(S(=O)(=O)N(C)C)CC2)[N@@H+]1C ZINC000096209810 293190095 /nfs/dbraw/zinc/19/00/95/293190095.db2.gz RLDNNGWAGAKZBS-GFCCVEGCSA-N 1 0 305.444 0.368 40 0 DCABRO CN(C)c1cn[nH+]c(N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000224309194 333408185 /nfs/dbraw/zinc/40/81/85/333408185.db2.gz QWLOOAVDIGHSCJ-CYBMUJFWSA-N 1 0 305.382 0.370 40 0 DCABRO O=C(c1cnn2cccnc12)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257243310 333806249 /nfs/dbraw/zinc/80/62/49/333806249.db2.gz IGISCVYZUNFFIH-CHWSQXEVSA-N 1 0 301.350 0.010 40 0 DCABRO CCC[N@H+]1C[C@@H]2Cc3nnc(C(=O)NCCOC)n3C[C@H]2C1 ZINC000306137208 528293806 /nfs/dbraw/zinc/29/38/06/528293806.db2.gz QOZNFZXNCVOYSU-NWDGAFQWSA-N 1 0 307.398 0.168 40 0 DCABRO Cc1cc(C(=O)NCc2ncc[nH]2)nc(C2CC[NH2+]CC2)n1 ZINC000072365703 191136081 /nfs/dbraw/zinc/13/60/81/191136081.db2.gz CPBFRHREGKWBCM-UHFFFAOYSA-N 1 0 300.366 0.905 40 0 DCABRO O=c1c2ccccc2ncn1C[C@]1(O)C[C@@H]2[NH2+]CCC[C@@H]2O1 ZINC000005432581 181242977 /nfs/dbraw/zinc/24/29/77/181242977.db2.gz YLYLCQRQSRDSQR-DZKIICNBSA-N 1 0 301.346 0.626 40 0 biogenic,in-vitro DCABRO CC[NH+]1CCN(CC(=O)N2CCO[C@H](c3nc(C)c[nH]3)C2)CC1 ZINC000257307070 203031580 /nfs/dbraw/zinc/03/15/80/203031580.db2.gz SXBZOIFBMAZJNE-AWEZNQCLSA-N 1 0 321.425 0.256 40 0 DCABRO CNC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2cnn(C)c2)c1 ZINC000257292872 203016842 /nfs/dbraw/zinc/01/68/42/203016842.db2.gz QNGRSQGVCOAYAR-MRXNPFEDSA-N 1 0 313.405 0.926 40 0 DCABRO CC(=O)Nc1cnn(CC2CC[NH+]([C@@H]3COC[C@@H]3O)CC2)c1 ZINC000257312551 203036012 /nfs/dbraw/zinc/03/60/12/203036012.db2.gz UOMMJXOTBVRTSB-CABCVRRESA-N 1 0 308.382 0.313 40 0 DCABRO CN(C)C(=O)[C@@]1(CCCc2ccccn2)CCN1C(=O)C[NH3+] ZINC000257319546 203043012 /nfs/dbraw/zinc/04/30/12/203043012.db2.gz VSZATWFZZZBBBP-MRXNPFEDSA-N 1 0 304.394 0.422 40 0 DCABRO CC(C)[NH2+]C[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1N(C)Cc1ccccc1 ZINC000020465970 182221096 /nfs/dbraw/zinc/22/10/96/182221096.db2.gz FSXVWNJYXZBZSH-YYIAUSFCSA-N 1 0 308.422 0.606 40 0 biogenic,in-vitro DCABRO O=S(=O)(NCCCO)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC000096509693 257133562 /nfs/dbraw/zinc/13/35/62/257133562.db2.gz IDMQAZMBZZMELV-UHFFFAOYSA-N 1 0 312.435 0.889 40 0 DCABRO C[NH+](C)CCCn1ccc2nc(N3CCOCC3)ncc2c1=O ZINC000013638659 134514534 /nfs/dbraw/zinc/51/45/34/134514534.db2.gz AAGLPANMXATDNZ-UHFFFAOYSA-N 1 0 317.393 0.580 40 0 DCABRO C[C@H]1CN(c2nccc(CN3CC[NH+](C)CC3)n2)C[C@H](C)O1 ZINC000019497692 395691042 /nfs/dbraw/zinc/69/10/42/395691042.db2.gz CZLJDLSZJZURJD-KBPBESRZSA-N 1 0 305.426 0.838 40 0 DCABRO COCCNC(=O)[C@H]1C[C@H]2[C@H](CC[N@@H+]2Cc2c(C)noc2C)O1 ZINC000096183614 395747260 /nfs/dbraw/zinc/74/72/60/395747260.db2.gz XWUSUCGWDLVCJM-SOUVJXGZSA-N 1 0 323.393 0.786 40 0 DCABRO Cn1cc(C(=O)N[C@@H]2C[N@H+](CC3CC3)[C@@H]3CCCO[C@H]23)cn1 ZINC000096185924 395748086 /nfs/dbraw/zinc/74/80/86/395748086.db2.gz JIBPPXJPPUBXQQ-RBSFLKMASA-N 1 0 304.394 0.792 40 0 DCABRO O=C([C@@H]1C[C@@H]2CC[N@@H+](C3CCOCC3)C[C@H]2O1)N1CCOCC1 ZINC000096042944 395740929 /nfs/dbraw/zinc/74/09/29/395740929.db2.gz TWUXQYQAPAIYGP-CWRNSKLLSA-N 1 0 324.421 0.504 40 0 DCABRO CC(C)[N@@H+]1CCOC[C@@]2(CN(C(=O)c3cnccn3)CCO2)C1 ZINC000096049752 395741063 /nfs/dbraw/zinc/74/10/63/395741063.db2.gz YSXHRBIJKGSRSF-INIZCTEOSA-N 1 0 320.393 0.428 40 0 DCABRO CC(C)[N@@H+]1CCOC[C@]2(CN(C(=O)c3cnccn3)CCO2)C1 ZINC000096049751 395741160 /nfs/dbraw/zinc/74/11/60/395741160.db2.gz YSXHRBIJKGSRSF-MRXNPFEDSA-N 1 0 320.393 0.428 40 0 DCABRO Cn1cc(C[N@@H+]2CC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)cn1 ZINC000096050515 395741645 /nfs/dbraw/zinc/74/16/45/395741645.db2.gz DPQOWGJPRKOLKW-INIZCTEOSA-N 1 0 314.393 0.783 40 0 DCABRO Cc1noc([C@@H]2CNC(=O)[C@@H]3CC[N@@H+]([C@@H]4CCOC4)CC[C@@H]32)n1 ZINC000096066431 395742667 /nfs/dbraw/zinc/74/26/67/395742667.db2.gz INKRETREVADVKA-XJFOESAGSA-N 1 0 320.393 0.709 40 0 DCABRO COCC(=O)N1CC[C@H](OC)[C@H]2C[N@H+](Cc3ccco3)C[C@H]21 ZINC000096109502 395745066 /nfs/dbraw/zinc/74/50/66/395745066.db2.gz TUXAUSZIBGTEHT-ZNMIVQPWSA-N 1 0 308.378 0.974 40 0 DCABRO COc1cccc(CN2C[C@@]34C[NH2+]C[C@@H](C[C@@H]3S2(=O)=O)O4)c1 ZINC000096263989 395752431 /nfs/dbraw/zinc/75/24/31/395752431.db2.gz ODZLFQIDLQOXMY-ILXRZTDVSA-N 1 0 324.402 0.340 40 0 DCABRO CCOC(=O)N1CCc2nnc(N3CCC([NH3+])CC3)cc2C1 ZINC000096516129 395754168 /nfs/dbraw/zinc/75/41/68/395754168.db2.gz MSFBUCALHSHXKT-UHFFFAOYSA-N 1 0 305.382 0.919 40 0 DCABRO COCCNC(=O)C[C@@H]1C[C@H]2C[N@H+](Cc3ccncc3)C[C@H]2O1 ZINC000096207508 395749550 /nfs/dbraw/zinc/74/95/50/395749550.db2.gz OZWMSBARTOBKPE-HRCADAONSA-N 1 0 319.405 0.824 40 0 DCABRO CNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3F)C[C@H]2C1 ZINC000096246119 395751439 /nfs/dbraw/zinc/75/14/39/395751439.db2.gz ZPUAUIDORNWWGB-QWHCGFSZSA-N 1 0 319.380 0.966 40 0 DCABRO O=C(NCC1CC1)[C@]12C[NH2+]C[C@H]1N(c1ncccn1)CCC2 ZINC000096251185 395751908 /nfs/dbraw/zinc/75/19/08/395751908.db2.gz RJSSJLMYLDEGQC-CZUORRHYSA-N 1 0 301.394 0.561 40 0 DCABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](c2cccc(F)c2)[C@@H]1S(C)(=O)=O ZINC000218543250 395842701 /nfs/dbraw/zinc/84/27/01/395842701.db2.gz RLJKFTSIVROBMQ-DYEKYZERSA-N 1 0 315.366 0.844 40 0 DCABRO Cc1ccnc([C@@H]2CC[N@@H+](C3CCN(S(C)(=O)=O)CC3)C2)n1 ZINC000257214669 396038930 /nfs/dbraw/zinc/03/89/30/396038930.db2.gz CMYPYGPMKRYWNB-CYBMUJFWSA-N 1 0 324.450 0.998 40 0 DCABRO CC(=O)N1CCO[C@@](C)(C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000257256963 396044231 /nfs/dbraw/zinc/04/42/31/396044231.db2.gz KNNWLBVNGQCQNR-QGZVFWFLSA-N 1 0 323.437 0.711 40 0 DCABRO O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2ccncc2)[C@@H]1O)C1CCCC1 ZINC000077265352 396216193 /nfs/dbraw/zinc/21/61/93/396216193.db2.gz ALFRDDFRXNHGPV-OAGGEKHMSA-N 1 0 319.405 0.606 40 0 biogenic,in-vitro DCABRO Cc1ccc(OC[C@@]2(O)COCCN(C(=O)C[NH+](C)C)C2)cc1 ZINC000585269036 396643211 /nfs/dbraw/zinc/64/32/11/396643211.db2.gz ILVGAGSAMHEWSR-KRWDZBQOSA-N 1 0 322.405 0.525 40 0 DCABRO COCCOc1cccc(C[NH2+]C[C@@H]2COC[C@@H](O)[C@H]2O)c1 ZINC000585286599 396646940 /nfs/dbraw/zinc/64/69/40/396646940.db2.gz MUBGGEHOOMBZOK-BMFZPTHFSA-N 1 0 311.378 0.170 40 0 DCABRO CC[NH+]1CCC(C(=O)N(C)[C@@H]2COC[C@@H](OC)[C@H]2OC)CC1 ZINC000585288335 396647664 /nfs/dbraw/zinc/64/76/64/396647664.db2.gz VWOOQIZGKPXZJO-KFWWJZLASA-N 1 0 314.426 0.606 40 0 DCABRO CCC[NH2+]C[C@]1(O)CN(C(=O)CCc2ccccc2)C[C@H]1O ZINC000585291632 396648555 /nfs/dbraw/zinc/64/85/55/396648555.db2.gz SSFKFDFQEBIRLP-WBVHZDCISA-N 1 0 306.406 0.553 40 0 DCABRO CCOCC(=O)N1Cc2nccn2C[C@H](C[NH+]2CCCC2)C1 ZINC000096188394 286024381 /nfs/dbraw/zinc/02/43/81/286024381.db2.gz RYTOFRIDLPQZJN-AWEZNQCLSA-N 1 0 306.410 0.974 40 0 DCABRO C[C@]12CN(C(=O)CCC[NH3+])C[C@H]1NC(=O)c1ccccc1C2=O ZINC000072395029 415414685 /nfs/dbraw/zinc/41/46/85/415414685.db2.gz LBSCPVUTUCJGCQ-DYVFJYSZSA-N 1 0 315.373 0.569 40 0 DCABRO C[NH+](C)[C@@H]1CN(S(=O)(=O)c2cccc(F)c2)[C@@H]2COC[C@@H]21 ZINC000107201362 415660215 /nfs/dbraw/zinc/66/02/15/415660215.db2.gz NEWOVSKHILPQCA-MGPQQGTHSA-N 1 0 314.382 0.775 40 0 DCABRO CNC(=O)CC[C@@]1(OC)CCC[N@H+](Cc2cnc(NC)nc2)C1 ZINC000585276701 416519889 /nfs/dbraw/zinc/51/98/89/416519889.db2.gz HKVDEEXGMSSUMQ-INIZCTEOSA-N 1 0 321.425 1.026 40 0 DCABRO O=C([C@@H]1CCOC1)N1Cc2nccn2C[C@@H](C[NH+]2CCCC2)C1 ZINC000096188396 280096011 /nfs/dbraw/zinc/09/60/11/280096011.db2.gz OIPRKVSRLJUVCX-HUUCEWRRSA-N 1 0 318.421 0.974 40 0 DCABRO O=C1OC2(CCN(c3ccc(F)cn3)CC2)[C@H]2C[NH2+]CCN12 ZINC001549160083 1014156858 /nfs/dbraw/zinc/15/68/58/1014156858.db2.gz AEGLFLAEIDHIPW-GFCCVEGCSA-N 1 0 306.341 0.984 40 0 DCABRO O=S(=O)(NC[C@@H]1C[NH2+]Cc2nccn2C1)c1ccccc1 ZINC000306139269 231089596 /nfs/dbraw/zinc/08/95/96/231089596.db2.gz STQXZTJKDPXIHT-LBPRGKRZSA-N 1 0 306.391 0.581 40 0 DCABRO CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](CC3CCCCC3)C2)C1=O ZINC000225381051 282662217 /nfs/dbraw/zinc/66/22/17/282662217.db2.gz VYQLMCKRTXXCBI-KGLIPLIRSA-N 1 0 321.421 0.055 40 0 biogenic,in-vitro DCABRO CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCC[N@@H+]1CCO ZINC000072379394 191140917 /nfs/dbraw/zinc/14/09/17/191140917.db2.gz DRCWLCVAAYUHSA-LBPRGKRZSA-N 1 0 303.366 0.560 40 0 DCABRO CCOc1ccc2ncc(C(=O)N3CC[NH2+]CC3)c(O)c2c1 ZINC000004861575 181165141 /nfs/dbraw/zinc/16/51/41/181165141.db2.gz IGZLAXADJJBUTB-UHFFFAOYSA-N 1 0 301.346 0.972 40 0 DCABRO C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1cn[nH]c1 ZINC000275747019 296065416 /nfs/dbraw/zinc/06/54/16/296065416.db2.gz CRPZJXVSJJUKSN-VXGBXAGGSA-N 1 0 309.414 0.957 40 0 DCABRO CC(=O)N[C@H]1CC2(CC[NH+](Cc3cc[nH]n3)CC2)OC[C@]1(C)O ZINC000257306247 203029874 /nfs/dbraw/zinc/02/98/74/203029874.db2.gz STKWANPLSBDFMZ-GJZGRUSLSA-N 1 0 322.409 0.420 40 0 DCABRO Cc1nonc1CC(=O)N(C)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257277069 203006361 /nfs/dbraw/zinc/00/63/61/203006361.db2.gz NWHUKHWPYJHAKZ-UMVBOHGHSA-N 1 0 308.382 0.367 40 0 DCABRO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@@H](C(N)=O)C2)cc1 ZINC000257279130 203009230 /nfs/dbraw/zinc/00/92/30/203009230.db2.gz OFDFXMFEBQXHDF-AWEZNQCLSA-N 1 0 305.378 0.461 40 0 DCABRO CNC(=O)[C@H]1C[N@@H+](C(C)C)CCN1C(=O)COc1ccccc1 ZINC000257329996 203052124 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ZINC000257286699 203014113 /nfs/dbraw/zinc/01/41/13/203014113.db2.gz PMPYKKNNPBDJOZ-HUUCEWRRSA-N 1 0 304.390 0.860 40 0 DCABRO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2cccc(-n3cnnc3)c2)C1 ZINC000257320207 203045412 /nfs/dbraw/zinc/04/54/12/203045412.db2.gz VVTQHMYFXRNNPZ-INIZCTEOSA-N 1 0 315.377 0.406 40 0 DCABRO O=C(NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21)C1CCC1 ZINC000019404419 182121870 /nfs/dbraw/zinc/12/18/70/182121870.db2.gz MBQICMOKIGZIRW-LBPRGKRZSA-N 1 0 314.393 0.820 40 0 DCABRO COc1ccc2c(c1OC)C(=O)O[C@H]2NCCN1CC[NH2+]CC1 ZINC000020227231 182199769 /nfs/dbraw/zinc/19/97/69/182199769.db2.gz RXGYTNMLKFQHHU-OAHLLOKOSA-N 1 0 321.377 0.368 40 0 DCABRO COC(=O)c1ccc(OC[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000022872440 182338663 /nfs/dbraw/zinc/33/86/63/182338663.db2.gz PRPMDVNCCWZAEX-AWEZNQCLSA-N 1 0 308.378 0.460 40 0 DCABRO CN1CC[NH+](C[C@@H](O)COCCOc2ccc(F)cc2)CC1 ZINC000041690242 183217542 /nfs/dbraw/zinc/21/75/42/183217542.db2.gz IKOKFYGNTCNMTL-OAHLLOKOSA-N 1 0 312.385 0.829 40 0 DCABRO CCCS(=O)(=O)N[C@H]1CO[C@@H](C[NH+]2CCC(C)CC2)[C@@H]1O ZINC000514288996 257216753 /nfs/dbraw/zinc/21/67/53/257216753.db2.gz LZCWSZZDXSVDQA-MELADBBJSA-N 1 0 320.455 0.176 40 0 biogenic,in-vitro DCABRO CC(C)C(=O)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224327720 257232985 /nfs/dbraw/zinc/23/29/85/257232985.db2.gz ABQFYPNYHOMVBB-UHFFFAOYSA-N 1 0 319.409 0.618 40 0 DCABRO OC[N@@H+]1CC[C@]23c4c5c(O)ccc4C[C@H]1[C@H]2C=C[C@@H](O)[C@@H]3O5 ZINC000005495697 395682785 /nfs/dbraw/zinc/68/27/85/395682785.db2.gz DQDFAEOEIHIMTM-GYXFDVGMSA-N 1 0 301.342 0.518 40 0 DCABRO OCCN1CC[NH+](C[C@@H](O)COC[C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000035052948 395718468 /nfs/dbraw/zinc/71/84/68/395718468.db2.gz SHXPZYFBFXCBKJ-YLFCFFPRSA-N 1 0 312.454 0.410 40 0 DCABRO O=C(NCC[NH+]1CCCCC1)c1ccc(-n2cnnn2)cc1 ZINC000035313977 395720062 /nfs/dbraw/zinc/72/00/62/395720062.db2.gz NFFWLHOVSAODLK-UHFFFAOYSA-N 1 0 300.366 0.878 40 0 DCABRO Cn1cc(N2CC3(CC[NH+]([C@H]4CCOC4)CC3)OCC2=O)cn1 ZINC000096201458 395748801 /nfs/dbraw/zinc/74/88/01/395748801.db2.gz NUJLVIOQLNAKFI-ZDUSSCGKSA-N 1 0 320.393 0.407 40 0 DCABRO CNC(=O)CN1CCOC[C@]2(CCC[N@H+](Cc3ccco3)C2)C1 ZINC000096049475 395741079 /nfs/dbraw/zinc/74/10/79/395741079.db2.gz BAOLKOVXRYHATH-KRWDZBQOSA-N 1 0 321.421 0.940 40 0 DCABRO CN(C)S(=O)(=O)N1CC[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]2C1 ZINC000096054133 395741534 /nfs/dbraw/zinc/74/15/34/395741534.db2.gz GLFDEBQUUCGLMH-CHWSQXEVSA-N 1 0 313.423 0.840 40 0 DCABRO C[NH+](C)CCN1CCOC[C@]2(CCCN(c3ncccn3)C2)C1 ZINC000096076363 395742998 /nfs/dbraw/zinc/74/29/98/395742998.db2.gz KSRMAPMHYZEFTO-QGZVFWFLSA-N 1 0 319.453 0.957 40 0 DCABRO CNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)c3ccncc3F)C[C@H]2C1 ZINC000096081427 395743858 /nfs/dbraw/zinc/74/38/58/395743858.db2.gz IRTWXSUXTZYIJM-NWDGAFQWSA-N 1 0 320.368 0.361 40 0 DCABRO CNC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@H]1C(=O)N1CCN(C)CC1 ZINC000096112950 395744954 /nfs/dbraw/zinc/74/49/54/395744954.db2.gz BHXWCEAKLINGOK-LSDHHAIUSA-N 1 0 324.469 0.386 40 0 biogenic,in-vitro DCABRO COCC(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1ccc(C)o1)C2 ZINC000096108394 395745127 /nfs/dbraw/zinc/74/51/27/395745127.db2.gz CMVPENJAWDMRFN-CJNGLKHVSA-N 1 0 308.378 0.799 40 0 DCABRO COc1ncccc1C(=O)N1C[C@@H]2COC[C@]2(C[NH+](C)C)C1 ZINC000096108268 395745204 /nfs/dbraw/zinc/74/52/04/395745204.db2.gz JJKWJIPBHNYOPY-WBMJQRKESA-N 1 0 305.378 0.740 40 0 DCABRO CS(=O)(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1ccco1)C2 ZINC000096108313 395745303 /nfs/dbraw/zinc/74/53/03/395745303.db2.gz MDQAJTBZLSCZDJ-YPMHNXCESA-N 1 0 300.380 0.277 40 0 DCABRO O=c1n(Cc2ccccc2)nc2c(N3CC[NH2+]CC3)nccn12 ZINC000096530664 395754224 /nfs/dbraw/zinc/75/42/24/395754224.db2.gz UOQGOSKNPLRONA-UHFFFAOYSA-N 1 0 310.361 0.349 40 0 DCABRO Cn1cc(N2CC3(CC[NH+]([C@@H]4CCOC4)CC3)OCC2=O)cn1 ZINC000096201457 395749017 /nfs/dbraw/zinc/74/90/17/395749017.db2.gz NUJLVIOQLNAKFI-CYBMUJFWSA-N 1 0 320.393 0.407 40 0 DCABRO C[NH+](C)CC(=O)N1CC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 ZINC000096209045 395749342 /nfs/dbraw/zinc/74/93/42/395749342.db2.gz BYLCZYRSLXPSTK-WBVHZDCISA-N 1 0 319.405 0.920 40 0 DCABRO Cc1nc(CN2C[C@@H]3C[N@@H+](CC(=O)N(C)C)C[C@@H]3C2=O)cs1 ZINC000096245098 395751465 /nfs/dbraw/zinc/75/14/65/395751465.db2.gz GDSKMLIVCXSBSS-AAEUAGOBSA-N 1 0 322.434 0.430 40 0 DCABRO CN(C)C(=O)CN1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1=O ZINC000096245018 395751581 /nfs/dbraw/zinc/75/15/81/395751581.db2.gz YLJOZRRGVAJARJ-AAEUAGOBSA-N 1 0 307.419 0.727 40 0 DCABRO C[N@@H+]1C[C@H]2N(c3ncccn3)CCC[C@@]2(C(=O)NCC2CC2)C1 ZINC000096251186 395751896 /nfs/dbraw/zinc/75/18/96/395751896.db2.gz BXMSAQHITSZHOD-RHSMWYFYSA-N 1 0 315.421 0.903 40 0 DCABRO CN(C)C(=O)CO[C@H]1CSC2(CN(Cc3cnn(C)c3)C2)C1 ZINC000248034862 395980976 /nfs/dbraw/zinc/98/09/76/395980976.db2.gz UNPVDADBBFBNIZ-CYBMUJFWSA-N 1 0 324.450 0.585 40 0 DCABRO CN(C(=O)CCn1ccnc1)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257202369 396036162 /nfs/dbraw/zinc/03/61/62/396036162.db2.gz ALLNUWWLWJNNEN-IIAWOOMASA-N 1 0 306.410 0.719 40 0 DCABRO CN(C)S(=O)(=O)N1CCC[C@@H]1c1nccc(C[NH+](C)C)n1 ZINC000257202951 396037270 /nfs/dbraw/zinc/03/72/70/396037270.db2.gz ANZASHJFABGFMF-GFCCVEGCSA-N 1 0 313.427 0.482 40 0 DCABRO CN(CC(=O)N1CC[C@](O)(C[NH+](C)C)C1)Cc1cccnc1 ZINC000257224201 396040017 /nfs/dbraw/zinc/04/00/17/396040017.db2.gz FASKOURNBOCGEG-INIZCTEOSA-N 1 0 306.410 0.038 40 0 DCABRO CNC(=O)[C@@H]1CN(Cc2ncc[nH]2)CC[N@@H+](C2CCOCC2)C1 ZINC000257224596 396040073 /nfs/dbraw/zinc/04/00/73/396040073.db2.gz FCMJRBOQCBVAMG-CYBMUJFWSA-N 1 0 321.425 0.069 40 0 DCABRO C[NH2+]CC(=O)N1CCC2(CO[C@H](Cc3cnccn3)C2)CC1 ZINC000257228593 396040989 /nfs/dbraw/zinc/04/09/89/396040989.db2.gz FULXUMADTSNUHR-CQSZACIVSA-N 1 0 304.394 0.636 40 0 DCABRO CNC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2cnccn2)c1 ZINC000257251499 396043528 /nfs/dbraw/zinc/04/35/28/396043528.db2.gz JQZWOUMXIRTJTN-INIZCTEOSA-N 1 0 311.389 0.983 40 0 DCABRO C[NH2+][C@@H]1CO[C@@H]2CCN(C(=O)c3nccn3C)C[C@@H]2C[C@@]1(C)O ZINC000257254434 396044164 /nfs/dbraw/zinc/04/41/64/396044164.db2.gz KDAYNYJASDVMLO-VPWBDBDCSA-N 1 0 322.409 0.010 40 0 DCABRO CNC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2cncn2C)c1 ZINC000257254353 396044762 /nfs/dbraw/zinc/04/47/62/396044762.db2.gz KCRSPKOSVBDPML-MRXNPFEDSA-N 1 0 313.405 0.926 40 0 DCABRO COCCOc1cc(CN2C[C@H](O)[C@@H]([NH+](C)C)C2)ccc1OC ZINC000257295771 396046297 /nfs/dbraw/zinc/04/62/97/396046297.db2.gz QZTRLXUXMBZECD-GJZGRUSLSA-N 1 0 324.421 0.827 40 0 DCABRO CN1CCC[N@H+](CCC(=O)[O-])CCN(C)CCC[NH+](C)CC1 ZINC000068604168 396060885 /nfs/dbraw/zinc/06/08/85/396060885.db2.gz WPNWBBHDCNBNDI-UHFFFAOYSA-N 1 0 314.474 0.352 40 0 DCABRO CC(C)[NH2+]C[C@]1(O)CN(C(=O)CCc2ccccc2)CC[C@H]1O ZINC000585285571 396646139 /nfs/dbraw/zinc/64/61/39/396646139.db2.gz KNVJNCCPYZCCSB-AEFFLSMTSA-N 1 0 320.433 0.942 40 0 DCABRO C[NH+](C)C/C=C/C(=O)N1CCO[C@](CO)(Cc2ccccc2)C1 ZINC000585289009 396647604 /nfs/dbraw/zinc/64/76/04/396647604.db2.gz CTVSXVLFOMRGKW-AHKGRUIUSA-N 1 0 318.417 0.937 40 0 DCABRO C[NH+]1CCC2(CC1)C(=O)N(NC(N)=O)C(=O)[C@@H]2c1ccccc1 ZINC000001640758 415126628 /nfs/dbraw/zinc/12/66/28/415126628.db2.gz GOUUWWGKEDNESJ-LBPRGKRZSA-N 1 0 316.361 0.434 40 0 DCABRO C[NH2+]CCOc1cccc(C(=O)N2C[C@H](O)[C@]3(CCCO3)C2)c1 ZINC000257334113 416335421 /nfs/dbraw/zinc/33/54/21/416335421.db2.gz YEPYWHBQJORHBU-RDJZCZTQSA-N 1 0 320.389 0.651 40 0 DCABRO CN1CCC[N@@H+]([C@H]2CCN(c3ncccn3)CC[C@@H]2O)CC1 ZINC000257246631 277052347 /nfs/dbraw/zinc/05/23/47/277052347.db2.gz IVAJLEDFJCKXOJ-GJZGRUSLSA-N 1 0 305.426 0.444 40 0 DCABRO CC(C)(C)[NH2+]C[C@H](CO)Oc1nsnc1N1CCOCC1 ZINC000077301549 277173267 /nfs/dbraw/zinc/17/32/67/277173267.db2.gz MAMSPDKEMJALRZ-SNVBAGLBSA-N 1 0 316.427 0.503 40 0 in-vitro DCABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[NH2+]C[C@@H]2C3)cc1 ZINC000306134715 277916403 /nfs/dbraw/zinc/91/64/03/277916403.db2.gz NVVDWAXGKYUTEX-QWRGUYRKSA-N 1 0 313.361 0.931 40 0 DCABRO Cn1cc(S(=O)(=O)N2CCC([NH2+]Cc3cc[nH]n3)CC2)cn1 ZINC000331848691 534747723 /nfs/dbraw/zinc/74/77/23/534747723.db2.gz NXVRGNBMVOUCJP-UHFFFAOYSA-N 1 0 324.410 0.086 40 0 DCABRO O[C@@H]1[C@@H](n2ccnc2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1cccs1 ZINC000952844772 768908446 /nfs/dbraw/zinc/90/84/46/768908446.db2.gz IDUKSPLZDXRYDI-XGFWRYKXSA-N 1 0 307.375 0.760 40 0 biogenic,in-vitro DCABRO COCCN1[C@@H]2C[N@H+](CCC(C)C)C[C@@H]2OCCS1(=O)=O ZINC001534645813 1011606857 /nfs/dbraw/zinc/60/68/57/1011606857.db2.gz HTLKABSBYVWYOT-KGLIPLIRSA-N 1 0 320.455 0.394 40 0 DCABRO Cn1cccc1C(=O)N[C@@H]1CN(CC[NH+](C)C)[C@@H]2CCCO[C@H]12 ZINC000096185916 282101766 /nfs/dbraw/zinc/10/17/66/282101766.db2.gz PZEHXAWZWCBRKS-IIAWOOMASA-N 1 0 320.437 0.548 40 0 DCABRO C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@H]1OCCN2C(=O)c1c[nH]cn1 ZINC000248039296 282108739 /nfs/dbraw/zinc/10/87/39/282108739.db2.gz VIFQJRZDNYDPSZ-CFVMTHIKSA-N 1 0 322.409 0.608 40 0 DCABRO Cc1cc(NCC[NH+](C)C)nc(C2CN(S(C)(=O)=O)C2)n1 ZINC000072365008 191134537 /nfs/dbraw/zinc/13/45/37/191134537.db2.gz GFTNBEGLXPCOKM-UHFFFAOYSA-N 1 0 313.427 0.117 40 0 DCABRO C[NH+]1CCC(NC(=O)C2CCN(c3ncccn3)CC2)CC1 ZINC000072366510 191135389 /nfs/dbraw/zinc/13/53/89/191135389.db2.gz MGSYRJLVFNTNRH-UHFFFAOYSA-N 1 0 303.410 0.903 40 0 DCABRO COc1ccc(OCC(=O)N2C[C@@H](O)[C@H]([NH+]3CCCC3)C2)cc1 ZINC000257273251 203002323 /nfs/dbraw/zinc/00/23/23/203002323.db2.gz NFVYSOBXEIPHFI-HZPDHXFCSA-N 1 0 320.389 0.742 40 0 DCABRO COc1cccc(S(=O)(=O)N2CC[C@](O)(C[NH+](C)C)C2)c1 ZINC000257276430 203004400 /nfs/dbraw/zinc/00/44/00/203004400.db2.gz NTSVOLFVRSPDEO-AWEZNQCLSA-N 1 0 314.407 0.382 40 0 DCABRO COc1ccc([C@@H]2C[NH2+]CCN2CC(=O)N2CCOCC2)cc1 ZINC000257312499 203036007 /nfs/dbraw/zinc/03/60/07/203036007.db2.gz UOFYEAYLYVVKSR-INIZCTEOSA-N 1 0 319.405 0.500 40 0 DCABRO C[NH+](C)C[C@]1(O)CCN(C(=O)c2cccc(-n3cnnc3)c2)C1 ZINC000257320208 203044344 /nfs/dbraw/zinc/04/43/44/203044344.db2.gz VVTQHMYFXRNNPZ-MRXNPFEDSA-N 1 0 315.377 0.406 40 0 DCABRO O=C(C1CC[NH2+]CC1)N1CCOC[C@@H]1CCc1cnccn1 ZINC000257337212 203061090 /nfs/dbraw/zinc/06/10/90/203061090.db2.gz YRXKQYABTVMNHV-HNNXBMFYSA-N 1 0 304.394 0.636 40 0 DCABRO CN1CCN(CCO)C(=O)C12CC[NH+](Cc1ccoc1)CC2 ZINC000096230089 193593248 /nfs/dbraw/zinc/59/32/48/193593248.db2.gz PXDQSNYBXJTOPZ-UHFFFAOYSA-N 1 0 307.394 0.381 40 0 DCABRO COc1cc(OC)cc(C(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000022933323 182342885 /nfs/dbraw/zinc/34/28/85/182342885.db2.gz FJGQXXUHISJFTR-UHFFFAOYSA-N 1 0 307.394 0.681 40 0 DCABRO CC[NH+](CC)CC(=O)N1CCc2nc(N)c(C(=O)NC)cc2C1 ZINC000019701082 395691080 /nfs/dbraw/zinc/69/10/80/395691080.db2.gz IOPCOOCBXYEOPL-UHFFFAOYSA-N 1 0 319.409 0.250 40 0 DCABRO O=C([C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2C2CCOCC2)O1)N1CCOCC1 ZINC000096187246 395748077 /nfs/dbraw/zinc/74/80/77/395748077.db2.gz ANORAVCTGDRUPT-BZUAXINKSA-N 1 0 324.421 0.646 40 0 DCABRO CN(C)c1cc(NCc2cnc3n2CC[N@@H+](C)CC3)ncn1 ZINC000096197146 395748376 /nfs/dbraw/zinc/74/83/76/395748376.db2.gz MBDIIMNKZABSHP-UHFFFAOYSA-N 1 0 301.398 0.839 40 0 DCABRO COCC[N@@H+]1CCOC[C@@]2(CCCN(Cc3cnn(C)c3)C2)C1 ZINC000096049461 395740758 /nfs/dbraw/zinc/74/07/58/395740758.db2.gz HHIFVIXGAURVJK-KRWDZBQOSA-N 1 0 322.453 0.981 40 0 DCABRO O=C([C@H]1COC[C@H]2C[N@H+](CCN3CCCC3)C[C@H]21)N1CCCO1 ZINC000096065260 395742569 /nfs/dbraw/zinc/74/25/69/395742569.db2.gz ZGTNLNMCAHIGKT-OAGGEKHMSA-N 1 0 323.437 0.441 40 0 DCABRO C[NH+](C)CCN1CCOC[C@@]2(CCCN(c3ncccn3)C2)C1 ZINC000096076364 395742948 /nfs/dbraw/zinc/74/29/48/395742948.db2.gz KSRMAPMHYZEFTO-KRWDZBQOSA-N 1 0 319.453 0.957 40 0 DCABRO CN(C)C(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1cccnc1)C2 ZINC000096209566 395749312 /nfs/dbraw/zinc/74/93/12/395749312.db2.gz FQGSTZGVFDGLFQ-ZBFHGGJFSA-N 1 0 304.394 0.801 40 0 DCABRO Cn1cc(N2CCN(CC3CC3)C3(CC[NH+](C)CC3)C2=O)cn1 ZINC000096230340 395751099 /nfs/dbraw/zinc/75/10/99/395751099.db2.gz SWEINOMIYWOASA-UHFFFAOYSA-N 1 0 317.437 0.943 40 0 DCABRO CN(C)C(=O)CO[C@H]1CCOC2(CN(Cc3cccnc3)C2)C1 ZINC000248049928 395982419 /nfs/dbraw/zinc/98/24/19/395982419.db2.gz XFTCZMSKFISUMS-HNNXBMFYSA-N 1 0 319.405 0.920 40 0 DCABRO [NH3+]CC(=O)NCc1cccc([C@@H]2NC(=O)N[C@H]3OCCC[C@@H]23)c1 ZINC000257234689 396041631 /nfs/dbraw/zinc/04/16/31/396041631.db2.gz GUQTZWJHUCKOQO-QEJZJMRPSA-N 1 0 318.377 0.368 40 0 DCABRO CN(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c1ccccc1 ZINC000078484824 396245931 /nfs/dbraw/zinc/24/59/31/396245931.db2.gz HETIXQJGCNAGMW-UHFFFAOYSA-N 1 0 313.423 0.375 40 0 DCABRO C[NH+](C)CC(=O)N1CCO[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000585268849 396643158 /nfs/dbraw/zinc/64/31/58/396643158.db2.gz ARPOKMSCQOOGIC-MRXNPFEDSA-N 1 0 310.369 0.520 40 0 DCABRO CC(C)C[NH2+]C[C@@]1(O)CN(C(=O)c2ccccc2)CC[C@@H]1O ZINC000585283842 396646078 /nfs/dbraw/zinc/64/60/78/396646078.db2.gz IBNCKUVRBUDHBL-DOTOQJQBSA-N 1 0 306.406 0.870 40 0 DCABRO CCC[C@@H]([NH3+])C(=O)NC[C@@H]1OCC(=O)N[C@@H]1c1ccccc1 ZINC000585286407 396646903 /nfs/dbraw/zinc/64/69/03/396646903.db2.gz XYTJPJANCHVRQC-VNHYZAJKSA-N 1 0 305.378 0.486 40 0 DCABRO O=C([C@H]1C[C@@H]2CC[N@@H+](C3CCOCC3)C[C@@H]2O1)N1CCOCC1 ZINC000096043205 415571640 /nfs/dbraw/zinc/57/16/40/415571640.db2.gz TWUXQYQAPAIYGP-IMJJTQAJSA-N 1 0 324.421 0.504 40 0 DCABRO C[NH+](C)CCN1CCOC[C@]2(CN(Cc3ccoc3)CCO2)C1 ZINC000096049773 415577307 /nfs/dbraw/zinc/57/73/07/415577307.db2.gz JIUNUQRVJMOAQR-QGZVFWFLSA-N 1 0 323.437 0.744 40 0 DCABRO COCCNC(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccncc2)O1 ZINC000107207780 415660550 /nfs/dbraw/zinc/66/05/50/415660550.db2.gz NIKQFGHIJSOZTD-BZUAXINKSA-N 1 0 319.405 0.966 40 0 DCABRO C[N@H+]1C[C@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@@H]2C1 ZINC000306132883 416104360 /nfs/dbraw/zinc/10/43/60/416104360.db2.gz LVHGSUGMPDSOCQ-KGLIPLIRSA-N 1 0 311.389 0.942 40 0 DCABRO CCc1nccn1CC(=O)N(C)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257217987 416334984 /nfs/dbraw/zinc/33/49/84/416334984.db2.gz DBKUQEIUQBUXBP-CKEIUWERSA-N 1 0 320.437 0.892 40 0 DCABRO CCNc1nc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cs1 ZINC000452391836 417484622 /nfs/dbraw/zinc/48/46/22/417484622.db2.gz QMOOTJFZQKWQCS-NSHDSACASA-N 1 0 312.439 1.152 40 0 DCABRO CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1c1ncccn1 ZINC000072365973 277253431 /nfs/dbraw/zinc/25/34/31/277253431.db2.gz 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DCABRO COCC[N@@H+]1C[C@H](NC(=O)c2cnn(C)c2)[C@H]2OCCC[C@H]21 ZINC000096186879 395747794 /nfs/dbraw/zinc/74/77/94/395747794.db2.gz MYFNYFRNZMEZPD-BFHYXJOUSA-N 1 0 308.382 0.028 40 0 DCABRO Cn1ccnc1C(=O)N[C@H]1C[N@H+]([C@@H]2CCOC2)[C@@H]2CCCO[C@@H]21 ZINC000096186887 395747959 /nfs/dbraw/zinc/74/79/59/395747959.db2.gz UHFGZSZOUFWVAU-XJFOESAGSA-N 1 0 320.393 0.171 40 0 DCABRO COCC(=O)N[C@@H]1CCc2c(ccc(=O)n2CC[NH+](C)C)C1 ZINC000096189653 395748402 /nfs/dbraw/zinc/74/84/02/395748402.db2.gz HHAPAKSKPRRYOT-CYBMUJFWSA-N 1 0 307.394 0.030 40 0 DCABRO CCS(=O)(=O)N1CCO[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC000096049762 395741392 /nfs/dbraw/zinc/74/13/92/395741392.db2.gz PAEMGJCLMSUIAA-ZDUSSCGKSA-N 1 0 306.428 0.148 40 0 DCABRO COc1ncccc1C[NH+]1CCC2(CC1)OCC(=O)N[C@H]2C ZINC000096201485 395748724 /nfs/dbraw/zinc/74/87/24/395748724.db2.gz IJPPCGPDIKPKIP-LBPRGKRZSA-N 1 0 305.378 0.960 40 0 DCABRO C[NH+](C)CCN1CC[C@@]2(CCCN(c3ncccn3)C2)C1=O ZINC000096073943 395742985 /nfs/dbraw/zinc/74/29/85/395742985.db2.gz WGNVPLABZMCGKL-MRXNPFEDSA-N 1 0 303.410 0.857 40 0 DCABRO C[NH+](C)CCN1CC[C@@]2(CCCN(C(=O)[C@H]3CCOC3)C2)C1=O ZINC000096073949 395743277 /nfs/dbraw/zinc/74/32/77/395743277.db2.gz TUKHRMPRMOQCCX-WMLDXEAASA-N 1 0 323.437 0.426 40 0 DCABRO CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccnc1)C2 ZINC000096073543 395743376 /nfs/dbraw/zinc/74/33/76/395743376.db2.gz UHJXNMAQHYXALH-RDJZCZTQSA-N 1 0 319.405 0.968 40 0 DCABRO Cc1cnc(C(=O)N2CCC[C@@]3(C2)COCC[N@@H+](C)C3)cn1 ZINC000096076820 395743555 /nfs/dbraw/zinc/74/35/55/395743555.db2.gz MYAOGIKKBVUTHE-MRXNPFEDSA-N 1 0 304.394 0.969 40 0 DCABRO CN([C@H](C(=O)NCC[NH+](C)C)c1ccccc1)S(C)(=O)=O ZINC000225489127 395861319 /nfs/dbraw/zinc/86/13/19/395861319.db2.gz ROBXOWVAJHTZHX-ZDUSSCGKSA-N 1 0 313.423 0.297 40 0 DCABRO C[NH+](C)CC(=O)N1CCO[C@@H]2[C@H](COc3ncccn3)CC[C@@H]21 ZINC000247946965 395980009 /nfs/dbraw/zinc/98/00/09/395980009.db2.gz BDCHLFJQJYSWPD-KCQAQPDRSA-N 1 0 320.393 0.423 40 0 DCABRO Cc1cc(CCC(=O)N(C)C)nc([C@@H]2CCC[N@H+](CCO)C2)n1 ZINC000257204613 396037049 /nfs/dbraw/zinc/03/70/49/396037049.db2.gz AVNDMHAIXVOINC-CQSZACIVSA-N 1 0 320.437 0.978 40 0 DCABRO CC(C)Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H](C(N)=O)C2)on1 ZINC000257210827 396038314 /nfs/dbraw/zinc/03/83/14/396038314.db2.gz BWIMPXSZAVUVLA-LLVKDONJSA-N 1 0 308.382 0.362 40 0 DCABRO C[NH+](C)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)C[C@H]1O ZINC000257219711 396039158 /nfs/dbraw/zinc/03/91/58/396039158.db2.gz DHVBKWGTSJWFQT-VXGBXAGGSA-N 1 0 304.799 0.635 40 0 DCABRO C[N@@H+]1CCN(Cc2ccc3c(c2)OCCO3)C[C@H](C(N)=O)C1 ZINC000257225567 396040197 /nfs/dbraw/zinc/04/01/97/396040197.db2.gz FGTPJJWZNFTZQB-CYBMUJFWSA-N 1 0 305.378 0.307 40 0 DCABRO C[N@@H+]1C[C@H](NC(=O)c2ccc(N3CCCC3)cc2)[C@H](C(N)=O)C1 ZINC000257246908 396042428 /nfs/dbraw/zinc/04/24/28/396042428.db2.gz IWLADWBKVDAHIP-CABCVRRESA-N 1 0 316.405 0.432 40 0 DCABRO CCOc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@H](C(N)=O)C2)cc1 ZINC000257250757 396043433 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COC[C@@H]1CC2(C[N@@H+]1C)CCN(C(=O)Cc1ccn(C)n1)CC2 ZINC000585103862 396638987 /nfs/dbraw/zinc/63/89/87/396638987.db2.gz SNUDEAVQTBGXHU-HNNXBMFYSA-N 1 0 320.437 0.922 40 0 DCABRO Cn1cncc1C[N@@H+]1CCC[C@]2(CN(c3ncccn3)C2=O)C1 ZINC000585099302 396639112 /nfs/dbraw/zinc/63/91/12/396639112.db2.gz CJKITWWINVVPPH-MRXNPFEDSA-N 1 0 312.377 0.839 40 0 DCABRO O=C(NC1CC1)c1nnc2n1C[C@@H]1C[N@H+](C3CCC3)C[C@H]1C2 ZINC000306143240 396754925 /nfs/dbraw/zinc/75/49/25/396754925.db2.gz XWYCYEUNLVRCCM-MNOVXSKESA-N 1 0 301.394 0.827 40 0 DCABRO CCCS(=O)(=O)N1C[C@H]2OC[C@H](C[NH+]3CCCC3)[C@H]2C1 ZINC000575404139 397313487 /nfs/dbraw/zinc/31/34/87/397313487.db2.gz MMXNOIJCUXABDZ-BFHYXJOUSA-N 1 0 302.440 0.769 40 0 DCABRO [NH3+]C[C@H]1O[C@@H]2C[C@@H](CC(=O)NCc3ccc(F)cc3)O[C@@H]2[C@@H]1O ZINC000604382017 397639025 /nfs/dbraw/zinc/63/90/25/397639025.db2.gz YZQXRYCGEVVEME-HGYYMRRCSA-N 1 0 324.352 0.077 40 0 biogenic,in-vitro DCABRO CCCCCC1(CCSC(N)=[NH2+])C(=O)NC(=O)NC1=O ZINC000004897616 415130613 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CN(C)c1cn[nH+]c(N2CCN(C(=O)c3cccnc3)CC2)c1 ZINC000224310714 545943040 /nfs/dbraw/zinc/94/30/40/545943040.db2.gz HJOYLABRXMUPRA-UHFFFAOYSA-N 1 0 312.377 0.900 40 0 DCABRO COCc1cn(C[C@H]2OC[C@H](O)[C@H]2[NH2+]CC2CCCCC2)nn1 ZINC001549159175 1014155319 /nfs/dbraw/zinc/15/53/19/1014155319.db2.gz GNRUJQQYJTWUIR-ARFHVFGLSA-N 1 0 324.425 0.723 40 0 DCABRO Cc1cc(F)cc(CN2[C@@H]3C[NH2+]C[C@@H]3OCCS2(=O)=O)c1 ZINC001534645862 1011606392 /nfs/dbraw/zinc/60/63/92/1011606392.db2.gz MSORTNLNDHCPOU-KGLIPLIRSA-N 1 0 314.382 0.637 40 0 DCABRO C[NH+](C)C[C@@H]1CCC2(CN(c3ccc4nncn4n3)C2)OC1 ZINC000306124637 231084206 /nfs/dbraw/zinc/08/42/06/231084206.db2.gz BVPCAEMUAMBEOB-LBPRGKRZSA-N 1 0 302.382 0.671 40 0 DCABRO CC(=O)N1CC(c2nc(C)cc(N3CC[C@@H]([NH+](C)C)C3)n2)C1 ZINC000072365295 191134055 /nfs/dbraw/zinc/13/40/55/191134055.db2.gz MHPNXAVKMYDJEZ-CQSZACIVSA-N 1 0 303.410 0.871 40 0 DCABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CC[C@@H](CN(C(=O)c1ccncn1)C2)[C@H]3O ZINC000257270428 203000435 /nfs/dbraw/zinc/00/04/35/203000435.db2.gz MUEKUXYAXIDJAW-RPVAFNKOSA-N 1 0 316.405 0.782 40 0 DCABRO CNC(=O)[C@@H]1CN(C(=O)Cc2ccccc2C)CC[N@H+](C)C1 ZINC000257272812 203001040 /nfs/dbraw/zinc/00/10/40/203001040.db2.gz NDZDRAZVMOCISB-HNNXBMFYSA-N 1 0 303.406 0.674 40 0 DCABRO O=C(Cn1nnc2ccccc21)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257312352 203037493 /nfs/dbraw/zinc/03/74/93/203037493.db2.gz UNODCTAYUIXGGZ-HUUCEWRRSA-N 1 0 315.377 0.099 40 0 DCABRO O=C(C[NH+]1CCCC1)N1CCO[C@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257314980 203037890 /nfs/dbraw/zinc/03/78/90/203037890.db2.gz UZKBSXDJTFNSKB-CQSZACIVSA-N 1 0 320.393 0.438 40 0 DCABRO O=C(C[NH+]1CCCC1)N1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257314979 203039035 /nfs/dbraw/zinc/03/90/35/203039035.db2.gz UZKBSXDJTFNSKB-AWEZNQCLSA-N 1 0 320.393 0.438 40 0 DCABRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC000257322318 203047580 /nfs/dbraw/zinc/04/75/80/203047580.db2.gz WFLRZYJXJSRGGG-MRXNPFEDSA-N 1 0 306.410 0.817 40 0 DCABRO O=C(c1cccs1)N1CCC([NH+]2CCN(CCO)CC2)CC1 ZINC000022031793 182305481 /nfs/dbraw/zinc/30/54/81/182305481.db2.gz FMSDNMVDAYSTHT-UHFFFAOYSA-N 1 0 323.462 0.963 40 0 DCABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](S(C)(=O)=O)[C@H]1c1ccc(F)cc1 ZINC000252514339 257106560 /nfs/dbraw/zinc/10/65/60/257106560.db2.gz CLEKZLFEZSGJQW-YRGRVCCFSA-N 1 0 315.366 0.844 40 0 DCABRO Cn1ccnc1C[N@@H+]1C[C@@H]2COC[C@@H](N3CCOCC3)[C@@H]2C1 ZINC000096186824 395748012 /nfs/dbraw/zinc/74/80/12/395748012.db2.gz GYXDTULPKJLRKG-RBSFLKMASA-N 1 0 306.410 0.199 40 0 DCABRO O=C(CC1CC1)NCc1cnc2n1CC[N@H+]([C@H]1CCOC1)CC2 ZINC000096197052 395748435 /nfs/dbraw/zinc/74/84/35/395748435.db2.gz UFFZPWUNZOFRKT-AWEZNQCLSA-N 1 0 318.421 0.946 40 0 DCABRO CN(C)C(=O)COC[C@@H]1C[N@@H+](C2CCC2)Cc2nnn(C)c21 ZINC000096198578 395748872 /nfs/dbraw/zinc/74/88/72/395748872.db2.gz WTTBAKAOTXHHMF-NSHDSACASA-N 1 0 307.398 0.372 40 0 DCABRO Cc1occc1C(=O)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC000096054304 395741613 /nfs/dbraw/zinc/74/16/13/395741613.db2.gz FZYVDODHKQSJBS-CABCVRRESA-N 1 0 307.394 0.675 40 0 DCABRO COCC(=O)N1CCC2(C[C@@H]([NH+]3CCN(C)CC3)CO2)CC1 ZINC000096074156 395743225 /nfs/dbraw/zinc/74/32/25/395743225.db2.gz QLTSFFLHZVBBLI-CQSZACIVSA-N 1 0 311.426 0.030 40 0 DCABRO CC(C)[N@@H+]1CCOC[C@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 ZINC000096076597 395743438 /nfs/dbraw/zinc/74/34/38/395743438.db2.gz GXMZMHHPSICYNJ-MRXNPFEDSA-N 1 0 322.409 0.372 40 0 DCABRO C[NH+](C)CC(=O)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC000096209015 395749252 /nfs/dbraw/zinc/74/92/52/395749252.db2.gz GGBLKKRHCGTMSL-WBMJQRKESA-N 1 0 323.368 0.636 40 0 DCABRO CCS(=O)(=O)N1CCOC[C@]2(C[C@@H](C[NH+](C)C)CO2)C1 ZINC000107738608 395785815 /nfs/dbraw/zinc/78/58/15/395785815.db2.gz LTSKRXLKDNVJON-STQMWFEESA-N 1 0 306.428 0.005 40 0 DCABRO Cn1cc(C(=O)N2CCO[C@@H](CCc3cc[nH+]c(N)c3)C2)cn1 ZINC000257200498 396036329 /nfs/dbraw/zinc/03/63/29/396036329.db2.gz ADORWXNCLYFUBY-AWEZNQCLSA-N 1 0 315.377 0.871 40 0 DCABRO C[NH2+][C@@H]1CO[C@@H]2CCN(C(=O)c3cnn(C)c3)C[C@@H]2C[C@@]1(C)O ZINC000257207247 396037154 /nfs/dbraw/zinc/03/71/54/396037154.db2.gz BGZLFNXDSCDDRQ-ADSMDIBLSA-N 1 0 322.409 0.010 40 0 DCABRO CC(C)[N@@H+]1CCN(C(=O)CCOc2ccccc2)[C@@H](C(N)=O)C1 ZINC000257209412 396037837 /nfs/dbraw/zinc/03/78/37/396037837.db2.gz BQGJYQNBALNYNE-OAHLLOKOSA-N 1 0 319.405 0.862 40 0 DCABRO COCc1cc(CC2([NH2+]C3CCN(C(C)=O)CC3)COC2)no1 ZINC000067897946 396038343 /nfs/dbraw/zinc/03/83/43/396038343.db2.gz DWOJDUZRPDSXQJ-UHFFFAOYSA-N 1 0 323.393 0.733 40 0 biogenic,in-vitro DCABRO Cn1c(=O)oc2ccc(C(=O)N3CC[C@@](O)(C[NH+](C)C)C3)cc21 ZINC000257210253 396038392 /nfs/dbraw/zinc/03/83/92/396038392.db2.gz BTUVJZRWJBZOSP-MRXNPFEDSA-N 1 0 319.361 0.270 40 0 DCABRO O=C(NCc1ncc[nH]1)[C@H]1CN(c2ccc(F)cc2)CC[NH2+]1 ZINC000257266622 396044899 /nfs/dbraw/zinc/04/48/99/396044899.db2.gz MDTGOIMSFGCYSB-CYBMUJFWSA-N 1 0 303.341 0.643 40 0 DCABRO Cc1ccccc1C[C@]1(CO)CN(C(=O)C[NH+](C)C)CCO1 ZINC000585276047 396642923 /nfs/dbraw/zinc/64/29/23/396642923.db2.gz LMPRFKPQZXQTDS-QGZVFWFLSA-N 1 0 306.406 0.689 40 0 DCABRO CCOc1ccc(C[N@H+]2C[C@H](OC)[C@@H](CC(N)=O)C2)cc1CO ZINC000585276694 396644019 /nfs/dbraw/zinc/64/40/19/396644019.db2.gz COVJQNCBQGSTLA-BBRMVZONSA-N 1 0 322.405 0.900 40 0 DCABRO CN(C)C(=O)CC[C@@]1(O)CCCN(C(=O)/C=C/C[NH+](C)C)C1 ZINC000585290409 396647688 /nfs/dbraw/zinc/64/76/88/396647688.db2.gz WAQZLBOYEJDCBW-YERXGYGTSA-N 1 0 311.426 0.326 40 0 DCABRO O=C(C1CC(F)C1)N1C[C@@H]2C(=O)N(CC[NH+]3CCCC3)C[C@@H]2C1 ZINC000585107371 396638924 /nfs/dbraw/zinc/63/89/24/396638924.db2.gz VSGGMKVGGJBURE-JYVUQVBGSA-N 1 0 323.412 0.747 40 0 DCABRO CCOC(=O)[C@@]12C[N@H+](C)C[C@@H]1CN(C(=O)C1CC(O)C1)CCC2 ZINC000585108177 396639910 /nfs/dbraw/zinc/63/99/10/396639910.db2.gz LWCKELDCHLVTAU-GMUWMPNVSA-N 1 0 324.421 0.491 40 0 DCABRO O=C(c1cc2ccccc2[nH]1)N1C[C@@H](O)[C@H](N2CCOCC2)C1 ZINC000585182235 396642231 /nfs/dbraw/zinc/64/22/31/396642231.db2.gz IZIRLNWLFDUZQR-HZPDHXFCSA-N 1 0 315.373 0.685 40 0 DCABRO NC(=O)C1CC[NH+]([C@@H]2CC(=O)N(C3CCCCC3)C2=O)CC1 ZINC000010153720 415145143 /nfs/dbraw/zinc/14/51/43/415145143.db2.gz BXNSSUXDXHRDBO-CYBMUJFWSA-N 1 0 307.394 0.644 40 0 DCABRO Cn1nc2ccc3nccc(N4CC[NH+](CCO)CC4)c3c2n1 ZINC000031860735 415186315 /nfs/dbraw/zinc/18/63/15/415186315.db2.gz SXEIORDNONATMH-UHFFFAOYSA-N 1 0 312.377 0.631 40 0 DCABRO CC(C)[N@@H+]1CCO[C@@]2(C1)COCCN(Cc1cnn(C)c1)C2 ZINC000096228945 415576407 /nfs/dbraw/zinc/57/64/07/415576407.db2.gz PLQCURFAOXVDLK-INIZCTEOSA-N 1 0 308.426 0.732 40 0 DCABRO O=C([C@H]1COC[C@H]2C[N@H+](CC3CCC3)C[C@H]21)N1CCOCC1 ZINC000096040724 415571913 /nfs/dbraw/zinc/57/19/13/415571913.db2.gz OFJXJFBRTFETKQ-OAGGEKHMSA-N 1 0 308.422 0.840 40 0 DCABRO CN(C)C(=O)COC[C@@H]1Cn2nccc2C[N@H+](CC2CC2)C1 ZINC000096189074 415577785 /nfs/dbraw/zinc/57/77/85/415577785.db2.gz ROSRWAMGRJOOPK-AWEZNQCLSA-N 1 0 306.410 0.830 40 0 DCABRO O=C(C[NH+]1CCCC1)N1CC[C@H](O)[C@@H](Oc2cccnc2)CC1 ZINC000257218694 416335049 /nfs/dbraw/zinc/33/50/49/416335049.db2.gz DEDMMRDYDQEXSV-HOTGVXAUSA-N 1 0 319.405 0.908 40 0 DCABRO CN(c1ncccn1)[C@@H]1CO[C@]2(CCN(C(=O)C[NH+](C)C)C2)C1 ZINC000096072875 276776794 /nfs/dbraw/zinc/77/67/94/276776794.db2.gz ZTNGFWUELNRGJV-XJKSGUPXSA-N 1 0 319.409 0.234 40 0 DCABRO C[NH+]1CCC(C(=O)N2CCO[C@H](c3cccc(N)n3)C2)CC1 ZINC000257258278 277024319 /nfs/dbraw/zinc/02/43/19/277024319.db2.gz KTDDAQHZRHNKNN-AWEZNQCLSA-N 1 0 304.394 0.906 40 0 DCABRO CN(C)C(=O)CCc1cncc([C@@H]2CCCN2C(=O)C[NH3+])n1 ZINC000072366609 288952482 /nfs/dbraw/zinc/95/24/82/288952482.db2.gz ZYCSRULOQVHOHO-ZDUSSCGKSA-N 1 0 305.382 0.120 40 0 DCABRO O[C@@H]1[C@@H](n2cncn2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1cccs1 ZINC000952844678 768908196 /nfs/dbraw/zinc/90/81/96/768908196.db2.gz ICOLJDSFFXCHPG-NJMOYASZSA-N 1 0 308.363 0.155 40 0 biogenic,in-vitro DCABRO Cc1nc(Nc2ncccn2)cc([C@@H]2CCCN2C(=O)C[NH3+])n1 ZINC000072360891 191131615 /nfs/dbraw/zinc/13/16/15/191131615.db2.gz LWMMRKSVGCHEQT-LBPRGKRZSA-N 1 0 313.365 0.941 40 0 DCABRO CO[C@H](C)[C@@](O)(C(=O)OCC1=CC[N@@H+]2CC[C@@H](O)[C@H]12)C(C)C ZINC000003876047 181051869 /nfs/dbraw/zinc/05/18/69/181051869.db2.gz LMFKRLGHEKVMNT-OEYIWLLWSA-N 1 0 313.394 0.327 40 0 DCABRO CO[C@@H](C)[C@](O)(C(=O)OCC1=CC[N@@H+]2CC[C@@H](O)[C@@H]12)C(C)C ZINC000004041184 181065942 /nfs/dbraw/zinc/06/59/42/181065942.db2.gz LMFKRLGHEKVMNT-DCDXPUDHSA-N 1 0 313.394 0.327 40 0 DCABRO NC(=O)[C@@H]([NH3+])CCC[C@@H]1NC(=S)N(c2ccccc2)C1=O ZINC000006575381 181356457 /nfs/dbraw/zinc/35/64/57/181356457.db2.gz XZPWKRZDRFWUGL-QWRGUYRKSA-N 1 0 306.391 0.259 40 0 DCABRO Cn1nccc1CCC(=O)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257212740 202949208 /nfs/dbraw/zinc/94/92/08/202949208.db2.gz CESNSFLYGLSDKV-INIZCTEOSA-N 1 0 306.410 0.412 40 0 DCABRO CNC(=O)[C@@H]1CN(Cc2nc3ccccc3n2C)CC[N@H+](C)C1 ZINC000257273377 203000856 /nfs/dbraw/zinc/00/08/56/203000856.db2.gz NGHWRLWNTQNBPO-ZDUSSCGKSA-N 1 0 315.421 0.683 40 0 DCABRO CN(C(=O)c1n[nH]c2c1CCC2)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257309418 203033592 /nfs/dbraw/zinc/03/35/92/203033592.db2.gz UAWDGDHXZSPZJI-IIAWOOMASA-N 1 0 318.421 0.958 40 0 DCABRO [NH3+]CCCOc1cccc(C(=O)N2C[C@H](O)[C@]3(CCCO3)C2)c1 ZINC000257292618 203017678 /nfs/dbraw/zinc/01/76/78/203017678.db2.gz QMHKYRXRYYTOPX-RDJZCZTQSA-N 1 0 320.389 0.780 40 0 DCABRO COc1ccc(CCNC(=O)C(=O)NCC[NH+](C)C)cc1OC ZINC000008091151 181525571 /nfs/dbraw/zinc/52/55/71/181525571.db2.gz NPSBBTWCXZIEQU-UHFFFAOYSA-N 1 0 323.393 0.040 40 0 DCABRO COC(=O)c1sccc1S(=O)(=O)N1CCC[NH2+]CC1 ZINC000015423949 182001869 /nfs/dbraw/zinc/00/18/69/182001869.db2.gz RIHRZFRQMOGEIV-UHFFFAOYSA-N 1 0 304.393 0.519 40 0 DCABRO CS(=O)(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCCC1 ZINC000056640544 184016812 /nfs/dbraw/zinc/01/68/12/184016812.db2.gz WKJVNPPJNRDXPT-MELADBBJSA-N 1 0 301.456 0.342 40 0 biogenic,in-vitro DCABRO CN1CC2(C1)C[N@H+](CCc1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514288580 257216799 /nfs/dbraw/zinc/21/67/99/257216799.db2.gz CUSBLRXKFRNGED-IAGOWNOFSA-N 1 0 301.434 0.664 40 0 biogenic,in-vitro DCABRO CC[NH+](CC)C[C@H](O)CNC(=O)[C@H]1COc2ccccc2O1 ZINC000002679836 395681798 /nfs/dbraw/zinc/68/17/98/395681798.db2.gz ZVAXTJMUCHBWPY-IUODEOHRSA-N 1 0 308.378 0.645 40 0 DCABRO O=C(c1cnc2sccn2c1=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000028232879 395695934 /nfs/dbraw/zinc/69/59/34/395695934.db2.gz ITDDXYYHEOOJKR-SNVBAGLBSA-N 1 0 304.375 0.676 40 0 DCABRO C[NH+](C)CCN1CCC2(CCN(c3ncccn3)CC2)C1=O ZINC000096157746 395746735 /nfs/dbraw/zinc/74/67/35/395746735.db2.gz HSFBOZVOTGWZES-UHFFFAOYSA-N 1 0 303.410 0.857 40 0 DCABRO CS(=O)(=O)NC[C@@H]1OC[C@H]2C[N@H+](Cc3ccoc3)CC[C@@H]12 ZINC000096185276 395747237 /nfs/dbraw/zinc/74/72/37/395747237.db2.gz HEJADAYQXZLRFU-MCIONIFRSA-N 1 0 314.407 0.666 40 0 DCABRO CNC(=O)CN1CCO[C@H]2C[N@H+](Cc3ccc(C)s3)C[C@H]21 ZINC000096054322 395741706 /nfs/dbraw/zinc/74/17/06/395741706.db2.gz LTNVXUNLLZONBN-KGLIPLIRSA-N 1 0 309.435 0.688 40 0 DCABRO CN(C)C(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccco1 ZINC000096056532 395742107 /nfs/dbraw/zinc/74/21/07/395742107.db2.gz HVFCKENXRUJCNS-ZIAGYGMSSA-N 1 0 305.378 0.933 40 0 DCABRO CN1CCN(CCO)C(=O)C12CC[NH+](Cc1ccccn1)CC2 ZINC000096230094 395750402 /nfs/dbraw/zinc/75/04/02/395750402.db2.gz YXNVHIHATLJWIO-UHFFFAOYSA-N 1 0 318.421 0.183 40 0 DCABRO C[NH+](C)CCN1CC[C@]2(CC(C(=O)NCc3ccco3)=NO2)C1 ZINC000096225882 395750533 /nfs/dbraw/zinc/75/05/33/395750533.db2.gz PYUASDHUBBATCP-INIZCTEOSA-N 1 0 320.393 0.678 40 0 DCABRO Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCC[N@H+](CCO)C3)nn1 ZINC000096240692 395751080 /nfs/dbraw/zinc/75/10/80/395751080.db2.gz SDAJCNAJIIEZFT-GDBMZVCRSA-N 1 0 322.409 0.297 40 0 DCABRO Cc1cccc(CN2C[C@@H]3C[N@@H+](CC(=O)N(C)C)C[C@@H]3C2=O)c1 ZINC000096245275 395751531 /nfs/dbraw/zinc/75/15/31/395751531.db2.gz GQCZNHLXYAGRSJ-HOTGVXAUSA-N 1 0 315.417 0.973 40 0 DCABRO NC(=O)[C@@H]1CN(Cc2nccs2)CC[N@@H+](C2CCOCC2)C1 ZINC000257211179 396038366 /nfs/dbraw/zinc/03/83/66/396038366.db2.gz BXTZPCAATAKWMO-GFCCVEGCSA-N 1 0 324.450 0.541 40 0 DCABRO Cc1nccc(C[N@@H+]2CC[C@H](O)[C@@H](NC(=O)C(C)C)CC2)n1 ZINC000257236673 396041817 /nfs/dbraw/zinc/04/18/17/396041817.db2.gz HDEFNHBOLJGJHG-GJZGRUSLSA-N 1 0 306.410 0.883 40 0 DCABRO CCc1nnsc1C(=O)N[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257235925 396041877 /nfs/dbraw/zinc/04/18/77/396041877.db2.gz HACHDBXWHUBEEO-IJLUTSLNSA-N 1 0 310.423 0.818 40 0 DCABRO CNc1cc(C)[nH+]c([C@@H]2CN(S(=O)(=O)N(C)C)CCO2)c1 ZINC000257257371 396044267 /nfs/dbraw/zinc/04/42/67/396044267.db2.gz KPIHTYQPZAZGIG-ZDUSSCGKSA-N 1 0 314.411 0.611 40 0 DCABRO CNC(=O)[C@@H]1CN(C(=O)c2ccc(OC)c(F)c2)CC[N@H+](C)C1 ZINC000257259232 396044388 /nfs/dbraw/zinc/04/43/88/396044388.db2.gz KXKSMYPSRYFETN-LBPRGKRZSA-N 1 0 323.368 0.584 40 0 DCABRO CCOc1ncccc1C(=O)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257262979 396045659 /nfs/dbraw/zinc/04/56/59/396045659.db2.gz LNVUYKDHFOBRFF-ZIAGYGMSSA-N 1 0 305.378 0.761 40 0 DCABRO O=C(NC[C@@H]1OCC(=O)N[C@@H]1c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000585285760 396646207 /nfs/dbraw/zinc/64/62/07/396646207.db2.gz RTFBXBMXRPPDGC-KCQAQPDRSA-N 1 0 303.362 0.111 40 0 DCABRO CCC[N@H+](Cc1ccc2[nH]cnc2c1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585290970 396648292 /nfs/dbraw/zinc/64/82/92/396648292.db2.gz JNIXRRMODNFWNX-OAGGEKHMSA-N 1 0 305.378 0.896 40 0 DCABRO Cc1n[nH]cc1C[N@@H+]1[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1Cc1ccccc1 ZINC000585295211 396648566 /nfs/dbraw/zinc/64/85/66/396648566.db2.gz PZSRGWVBWIMZQA-VVLHAWIVSA-N 1 0 317.389 0.228 40 0 DCABRO C[NH+](C)C[C@@H]1CCn2nccc2CN1C(=O)c1cc(=O)[nH]cn1 ZINC000585097854 396638906 /nfs/dbraw/zinc/63/89/06/396638906.db2.gz RXSFMAULCKCITG-NSHDSACASA-N 1 0 316.365 0.355 40 0 DCABRO C[NH+](C)CCC(=O)N1Cc2ccnn2C[C@H](OCC2CC2)C1 ZINC000585099178 396639081 /nfs/dbraw/zinc/63/90/81/396639081.db2.gz RLJAVSZWDCJHLB-OAHLLOKOSA-N 1 0 306.410 0.972 40 0 DCABRO C[C@@H]1CN(C=O)[C@@H](C)CN1CC[N@@H+]1C[C@H](C)N(C=O)C[C@@H]1C ZINC000022580344 415156848 /nfs/dbraw/zinc/15/68/48/415156848.db2.gz GCZCLZLARXQADG-FZKCQIBNSA-N 1 0 310.442 0.088 40 0 DCABRO CN(C)C(=O)N1CCC2(C[C@H]([NH+]3CCN(C)CC3)CO2)CC1 ZINC000096048873 415575183 /nfs/dbraw/zinc/57/51/83/415575183.db2.gz DHGDBTBVUPYSQO-AWEZNQCLSA-N 1 0 310.442 0.539 40 0 DCABRO CN(C)C(=O)COC[C@H]1C[N@@H+](C2CCC2)Cc2ncn(C)c21 ZINC000096044889 415570851 /nfs/dbraw/zinc/57/08/51/415570851.db2.gz XIHNKYONCAVIIT-GFCCVEGCSA-N 1 0 306.410 0.977 40 0 DCABRO CCS(=O)(=O)CCN1Cc2ccnn2[C@@H](CC[NH+](C)C)C1 ZINC000248088370 416333061 /nfs/dbraw/zinc/33/30/61/416333061.db2.gz DZSQGUWDQDSCDG-AWEZNQCLSA-N 1 0 314.455 0.626 40 0 DCABRO CO[C@@H]1CCC[C@@H](NC(=O)c2cccc(OCC[NH3+])c2)[C@H]1O ZINC000257260455 416335003 /nfs/dbraw/zinc/33/50/03/416335003.db2.gz LCXLTFWCOCBWLP-RBSFLKMASA-N 1 0 308.378 0.682 40 0 DCABRO COc1cccc(CC(=O)N2C[C@@H](O)[C@H]([NH+]3CCCC3)C2)c1 ZINC000257271581 416335070 /nfs/dbraw/zinc/33/50/70/416335070.db2.gz MYXKKPPADTZGJA-HZPDHXFCSA-N 1 0 304.390 0.905 40 0 DCABRO CC(=O)N1CCC(O)(C[N@@H+]2CCC[C@H]2c2cnccn2)CC1 ZINC000257331133 416335267 /nfs/dbraw/zinc/33/52/67/416335267.db2.gz XROATIHLVLKGSO-HNNXBMFYSA-N 1 0 304.394 0.987 40 0 DCABRO CC(C)NC(=O)[C@H]1O[C@H](CC[NH+]2CCOCC2)CC[C@@H]1O ZINC000030878765 1171418856 /nfs/dbraw/zinc/41/88/56/1171418856.db2.gz IXZGMGGZGMIGOM-IHRRRGAJSA-N 1 0 300.399 0.142 40 0 biogenic,in-vitro DCABRO Cc1nccn1CCNC(=O)c1cc2n(n1)C[C@@H]([NH+](C)C)C2 ZINC001772501816 1190701964 /nfs/dbraw/zinc/70/19/64/1190701964.db2.gz SQIRRSPMMLTCRF-ZDUSSCGKSA-N 1 0 302.382 0.304 40 0 DCABRO Cn1cccc1C(=O)N1CCO[C@H]2[C@H](OCC[NH+](C)C)CC[C@@H]21 ZINC000096041487 282109151 /nfs/dbraw/zinc/10/91/51/282109151.db2.gz ZCHWAHPNWVNBDB-NUEKZKHPSA-N 1 0 321.421 0.975 40 0 DCABRO Cc1nc(Nc2cnccn2)cc([C@H]2CCCN2C(=O)C[NH3+])n1 ZINC000072360894 191131657 /nfs/dbraw/zinc/13/16/57/191131657.db2.gz LJWQVKYHJYEYGR-GFCCVEGCSA-N 1 0 313.365 0.941 40 0 DCABRO C[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000074861072 191374234 /nfs/dbraw/zinc/37/42/34/191374234.db2.gz YOTQKENVBFRIFS-UHFFFAOYSA-N 1 0 312.391 0.830 40 0 DCABRO O=C(CN1CC[NH2+]CC1)NCCc1c[nH]c2ccc(F)cc12 ZINC000408712657 239275564 /nfs/dbraw/zinc/27/55/64/239275564.db2.gz FPSIEQNTQDKSFR-UHFFFAOYSA-N 1 0 304.369 0.871 40 0 DCABRO [NH3+]CCOc1ccc(C(=O)N[C@@H]2CCCC[C@@H](O)[C@@H]2O)cc1 ZINC000257235470 202970022 /nfs/dbraw/zinc/97/00/22/202970022.db2.gz GXZOMVPCUUPPDJ-RBSFLKMASA-N 1 0 308.378 0.418 40 0 DCABRO C[NH+](C)C[C@@]1(O)CCN(C(=O)Cn2ccc(C(F)(F)F)n2)C1 ZINC000257295533 203020407 /nfs/dbraw/zinc/02/04/07/203020407.db2.gz QYSNWERIAGLEDN-LBPRGKRZSA-N 1 0 320.315 0.427 40 0 DCABRO COc1ccccc1CC(=O)N1CC[N@@H+](C(C)C)C[C@H]1C(N)=O ZINC000257330314 203053209 /nfs/dbraw/zinc/05/32/09/203053209.db2.gz XNVYZWAAGBCHTE-AWEZNQCLSA-N 1 0 319.405 0.644 40 0 DCABRO CC(C)[N@@H+]1CCN(C(=O)Cc2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000257313547 203038875 /nfs/dbraw/zinc/03/88/75/203038875.db2.gz UTCDFHAXNHRNME-AWEZNQCLSA-N 1 0 307.369 0.775 40 0 DCABRO C[NH+](C)[C@@H]1CN(C(=O)c2ccnc(N3CCCC3)c2)C[C@H]1O ZINC000257320736 203045503 /nfs/dbraw/zinc/04/55/03/203045503.db2.gz VYIFCLBBSNPOCT-ZIAGYGMSSA-N 1 0 304.394 0.429 40 0 DCABRO COCCn1c(=O)ccc2c1CC[C@@H]([NH2+]Cc1cnn(C)c1)C2 ZINC000096189662 193569956 /nfs/dbraw/zinc/56/99/56/193569956.db2.gz RAPAFUUKNOWDCG-OAHLLOKOSA-N 1 0 316.405 0.875 40 0 DCABRO O=C([C@H]1COc2ccccc2O1)N1CCC2(CC1)C[NH2+]CCO2 ZINC000096091759 284580849 /nfs/dbraw/zinc/58/08/49/284580849.db2.gz KWAXDSHEECWUGU-OAHLLOKOSA-N 1 0 318.373 0.807 40 0 DCABRO COc1cccc(C(=O)NCCN2CC[NH+](C)CC2)c1OC ZINC000042002955 183228646 /nfs/dbraw/zinc/22/86/46/183228646.db2.gz QCLXDJKLBWBVKR-UHFFFAOYSA-N 1 0 307.394 0.681 40 0 DCABRO CS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@]1(N)C[NH3+] ZINC000252516676 257106296 /nfs/dbraw/zinc/10/62/96/257106296.db2.gz VXDGQQJHJDKERH-HBNTYKKESA-N 1 0 319.224 0.616 40 0 DCABRO CC(C)N1CC2(C1)CN(Cc1cccnc1)C[C@@H]1C[C@@H](O)C[N@H+]12 ZINC000514289786 257215536 /nfs/dbraw/zinc/21/55/36/257215536.db2.gz OPCCTCGXGYIYLX-DLBZAZTESA-N 1 0 316.449 0.795 40 0 biogenic,in-vitro DCABRO CC1CC[NH+](C[C@@H]2OC[C@H](NCc3nccn3C)[C@H]2O)CC1 ZINC000514289717 257215589 /nfs/dbraw/zinc/21/55/89/257215589.db2.gz ZGZPPCIINXRKFY-OFQRWUPVSA-N 1 0 308.426 0.370 40 0 biogenic,in-vitro DCABRO C[C@@H]1CN(c2nccc(CN3CC[NH+](C)CC3)n2)C[C@H](C)O1 ZINC000019497691 134533333 /nfs/dbraw/zinc/53/33/33/134533333.db2.gz CZLJDLSZJZURJD-OKILXGFUSA-N 1 0 305.426 0.838 40 0 DCABRO O[C@@H]1[C@@H]([NH+]2CCCCC2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1ccco1 ZINC000012529615 395687742 /nfs/dbraw/zinc/68/77/42/395687742.db2.gz UGNVVIUBNSMYSH-DGXTUMSLSA-N 1 0 308.378 0.708 40 0 biogenic,in-vitro DCABRO COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@@]4(O)[C@@H](C2)[N@H+](C)CC[C@]314 ZINC000014447049 395689503 /nfs/dbraw/zinc/68/95/03/395689503.db2.gz YPZPXTZKBNWUTF-QMVVXIJUSA-N 1 0 315.369 0.616 40 0 DCABRO CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3ccccn3)C[C@H]2[N@@H+]1C(C)C ZINC000096054238 395741518 /nfs/dbraw/zinc/74/15/18/395741518.db2.gz ZDGNSVLOUZIXBW-AEGPPILISA-N 1 0 316.405 0.751 40 0 DCABRO Cc1cnc(N2C[C@H]3C[C@H](C(=O)NCC[NH+](C)C)[C@@H](C2)O3)nc1 ZINC000096083609 395743883 /nfs/dbraw/zinc/74/38/83/395743883.db2.gz SLMVIGVDETURLK-HZSPNIEDSA-N 1 0 319.409 0.057 40 0 DCABRO COCCNC(=O)[C@]12COC[C@H]1C[N@H+](Cc1ccncc1)C2 ZINC000096110029 395745094 /nfs/dbraw/zinc/74/50/94/395745094.db2.gz SWJXHPYKLCZEQB-GDBMZVCRSA-N 1 0 305.378 0.293 40 0 DCABRO [NH3+][C@@H]1CCN(c2nccn3c(=O)n(Cc4ccccc4)nc23)C1 ZINC000096530685 395754313 /nfs/dbraw/zinc/75/43/13/395754313.db2.gz XAWQFUOTEYXDIU-CYBMUJFWSA-N 1 0 310.361 0.477 40 0 DCABRO O=C(NC[C@]12COC[C@H]1C[N@H+](CC1CCC1)C2)c1ccnnc1 ZINC000096214951 395749865 /nfs/dbraw/zinc/74/98/65/395749865.db2.gz SWTQAISVGHIGSU-WBVHZDCISA-N 1 0 316.405 0.955 40 0 DCABRO CNc1ncccc1CN1CC[N@H+](C)C[C@H](C(=O)N(C)C)C1 ZINC000257210632 396037699 /nfs/dbraw/zinc/03/76/99/396037699.db2.gz BVNPQQQCLSDGMX-AWEZNQCLSA-N 1 0 305.426 0.575 40 0 DCABRO C[N@@H+]1CCN(Cc2ccc3c(c2)OCCO3)C[C@@H](C(N)=O)C1 ZINC000257225568 396040006 /nfs/dbraw/zinc/04/00/06/396040006.db2.gz FGTPJJWZNFTZQB-ZDUSSCGKSA-N 1 0 305.378 0.307 40 0 DCABRO CC(C)c1nnc(CCC(=O)N2CC[N@H+](C)C[C@H](C(N)=O)C2)o1 ZINC000257227890 396040848 /nfs/dbraw/zinc/04/08/48/396040848.db2.gz FRKDTXMANPXYGP-NSHDSACASA-N 1 0 323.397 0.001 40 0 DCABRO C[NH+](C)C[C@@]1(O)CCN(C(=O)Cn2cnc3ccccc32)C1 ZINC000257235477 396041813 /nfs/dbraw/zinc/04/18/13/396041813.db2.gz GYAOSTMGEDBBBZ-INIZCTEOSA-N 1 0 302.378 0.561 40 0 DCABRO CNC(=O)[C@H]1CN(C(=O)c2cc(C(C)C)no2)CC[N@H+](C)C1 ZINC000257268409 396044908 /nfs/dbraw/zinc/04/49/08/396044908.db2.gz MLORPFHSJUXFRV-LLVKDONJSA-N 1 0 308.382 0.548 40 0 DCABRO O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]C2CC2)C1 ZINC000585292172 396648039 /nfs/dbraw/zinc/64/80/39/396648039.db2.gz XUWPPRBFULAWJJ-WBVHZDCISA-N 1 0 304.390 0.305 40 0 DCABRO C[N@@H+](Cc1cnn(C2CCCC2)c1)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585290964 396648576 /nfs/dbraw/zinc/64/85/76/396648576.db2.gz JMJYLBBXRQHSMD-BMFZPTHFSA-N 1 0 309.410 0.798 40 0 DCABRO CCC[N@@H+]1C[C@@H]2C(=O)NC3(CCN(c4cnccn4)CC3)[C@H]2C1 ZINC000585106093 396639266 /nfs/dbraw/zinc/63/92/66/396639266.db2.gz LGFSELSSZSTJOL-KBPBESRZSA-N 1 0 315.421 0.903 40 0 DCABRO NC(=O)CN1C(=O)CO[C@H]2C[N@@H+](CCCc3ccccc3)C[C@H]21 ZINC000067897687 415390318 /nfs/dbraw/zinc/39/03/18/415390318.db2.gz YYRJAMUDEJSJTK-CABCVRRESA-N 1 0 317.389 0.016 40 0 biogenic,in-vitro DCABRO O=C([C@@H]1COC[C@H]2C[N@@H+](C3CCOCC3)C[C@H]21)N1CCCO1 ZINC000096038658 415573079 /nfs/dbraw/zinc/57/30/79/415573079.db2.gz WQOHFKOBUZAJOT-BPLDGKMQSA-N 1 0 310.394 0.524 40 0 DCABRO O=C(N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O)c1cccc(F)c1[O-] ZINC000257270051 416335061 /nfs/dbraw/zinc/33/50/61/416335061.db2.gz MSOWBMZGOVOWQD-UMVBOHGHSA-N 1 0 324.352 0.485 40 0 DCABRO CC(C)NC(=O)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CCO)nn1 ZINC000008297955 657501344 /nfs/dbraw/zinc/50/13/44/657501344.db2.gz RVGLVQANUUTYOV-YUELXQCFSA-N 1 0 321.425 0.048 40 0 biogenic,in-vitro DCABRO O[C@@H]1[C@@H](n2cccn2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1cccnc1 ZINC000952844862 768910274 /nfs/dbraw/zinc/91/02/74/768910274.db2.gz PBOPPXGSYVHALB-ARILJUKYSA-N 1 0 302.334 0.094 40 0 biogenic,in-vitro DCABRO CC(=O)N1CCC(O)(C[NH+]2CCC(c3nncn3C)CC2)CC1 ZINC000072367452 191137297 /nfs/dbraw/zinc/13/72/97/191137297.db2.gz WSLLZENYBLABJX-UHFFFAOYSA-N 1 0 321.425 0.368 40 0 DCABRO Cc1cc(C(=O)N2CCN(C)CC2)nc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072369288 191139782 /nfs/dbraw/zinc/13/97/82/191139782.db2.gz UNWZJXZAUXSEJC-CQSZACIVSA-N 1 0 317.437 0.982 40 0 DCABRO COCC(=O)N1CC[N@H+](C)C[C@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072378179 191140685 /nfs/dbraw/zinc/14/06/85/191140685.db2.gz TUAUJTVGQXDLNA-ZDUSSCGKSA-N 1 0 321.425 0.122 40 0 DCABRO C[N@H+](CCC(=O)N1CCO[C@](C)(C(N)=O)C1)Cc1ccccn1 ZINC000072379796 191142760 /nfs/dbraw/zinc/14/27/60/191142760.db2.gz UWMOMCRKQKBILP-INIZCTEOSA-N 1 0 320.393 0.006 40 0 DCABRO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2cccc(F)c2)CC[C@@H]1O ZINC000257264159 202994074 /nfs/dbraw/zinc/99/40/74/202994074.db2.gz LTEBPHDXTPEJSZ-KBPBESRZSA-N 1 0 316.398 0.901 40 0 DCABRO C[C@@]12C[C@H](CNC(=O)c3ccnnc3)[NH2+][C@@H]1CCCC[C@@H]2O ZINC000257277338 203006009 /nfs/dbraw/zinc/00/60/09/203006009.db2.gz NXPAUNCACPXPKB-HGTKMLMNSA-N 1 0 304.394 0.878 40 0 DCABRO CNC(=O)[C@H]1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)CC[N@H+](C)C1 ZINC000257301597 203025974 /nfs/dbraw/zinc/02/59/74/203025974.db2.gz RZBVAQQRIIJZDR-LLVKDONJSA-N 1 0 321.425 0.457 40 0 DCABRO CNC(=O)[C@@H]1CN(C(=O)c2cc(F)ccc2OC)CC[N@H+](C)C1 ZINC000257287338 203014156 /nfs/dbraw/zinc/01/41/56/203014156.db2.gz PPMZTAXBLXZUBQ-NSHDSACASA-N 1 0 323.368 0.584 40 0 DCABRO O=C(N[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1O)c1ccn[nH]1 ZINC000257336326 203057035 /nfs/dbraw/zinc/05/70/35/203057035.db2.gz YNYASNDBMPRLOZ-HZPDHXFCSA-N 1 0 314.389 0.817 40 0 DCABRO CN(C)C(=O)N1CCOC[C@]2(C[C@@H](C[NH+]3CCCC3)CO2)C1 ZINC000096052047 193503704 /nfs/dbraw/zinc/50/37/04/193503704.db2.gz XMZKDOBLTGFUOH-HOCLYGCPSA-N 1 0 311.426 0.871 40 0 DCABRO Cc1ccc(S(=O)(=O)Cc2noc([C@@H]3C[C@@H](O)CN3)n2)cc1 ZINC000015674600 182011656 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FLMVNACLOOLBHQ-NCOADZHNSA-N 1 0 318.421 0.983 40 0 DCABRO C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@@H]1OCCN2C(=O)c1c[nH]cn1 ZINC000096082441 395743709 /nfs/dbraw/zinc/74/37/09/395743709.db2.gz VIFQJRZDNYDPSZ-AEGPPILISA-N 1 0 322.409 0.608 40 0 DCABRO COC(=O)CCC(=O)N1C[C@H]2C[NH+](Cc3ccc[nH]3)C[C@@H]2C1 ZINC000096080932 395743804 /nfs/dbraw/zinc/74/38/04/395743804.db2.gz KQCLUGXKMPZQQX-CHWSQXEVSA-N 1 0 305.378 0.858 40 0 DCABRO O=C(c1ccco1)N1C[C@H]2CN(CC[NH+]3CCCC3)C(=O)[C@H]2C1 ZINC000096090621 395744490 /nfs/dbraw/zinc/74/44/90/395744490.db2.gz FWSQTQXHGZIEBP-KGLIPLIRSA-N 1 0 317.389 0.906 40 0 DCABRO CC(C)(C)C[NH2+][C@@H]1CO[C@H](CNC(=O)c2ccncc2)[C@H]1O ZINC000096296134 395752255 /nfs/dbraw/zinc/75/22/55/395752255.db2.gz HMRRVJOEUHHCAB-MCIONIFRSA-N 1 0 307.394 0.575 40 0 biogenic,in-vitro DCABRO Cn1cnc(S(=O)(=O)N2CC3(C2)CC[N@H+](CC2CC2)C3)c1 ZINC000096202656 395749544 /nfs/dbraw/zinc/74/95/44/395749544.db2.gz QXFRIARGWULAHD-UHFFFAOYSA-N 1 0 310.423 0.527 40 0 DCABRO 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395749444 /nfs/dbraw/zinc/74/94/44/395749444.db2.gz RCFFBUFBYXYCSU-WBVHZDCISA-N 1 0 308.422 0.984 40 0 DCABRO Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCC[N@H+](CCO)C3)nn1 ZINC000096240690 395750722 /nfs/dbraw/zinc/75/07/22/395750722.db2.gz SDAJCNAJIIEZFT-ZBFHGGJFSA-N 1 0 322.409 0.297 40 0 DCABRO Cc1ccc(N2CCn3c(COCC[NH+](C)C)nnc3C2)nn1 ZINC000096259017 395752130 /nfs/dbraw/zinc/75/21/30/395752130.db2.gz DJILPTYBUKKLHE-UHFFFAOYSA-N 1 0 317.397 0.475 40 0 DCABRO COCCNC(=O)C[C@H]1CN(C2CCOCC2)Cc2ccnn21 ZINC000247831720 395979337 /nfs/dbraw/zinc/97/93/37/395979337.db2.gz HRPIUTFQIKFASY-HNNXBMFYSA-N 1 0 322.409 0.572 40 0 DCABRO CNC(=O)[C@@H]1CN(C(=O)CCc2ccccc2F)CC[N@H+](C)C1 ZINC000257236265 396041751 /nfs/dbraw/zinc/04/17/51/396041751.db2.gz HBKHDVSKQRFWOT-AWEZNQCLSA-N 1 0 321.396 0.895 40 0 DCABRO C[NH2+][C@H]1CC2(CCN(C(=O)c3cc(C)no3)CC2)OC[C@]1(C)O ZINC000257246332 396042808 /nfs/dbraw/zinc/04/28/08/396042808.db2.gz ITPQOSLDPKFCIT-ZFWWWQNUSA-N 1 0 323.393 0.717 40 0 DCABRO CNC(=O)[C@H]1CN(C(=O)Cc2cccc(OC)c2)CC[N@H+](C)C1 ZINC000257251495 396043269 /nfs/dbraw/zinc/04/32/69/396043269.db2.gz JQZRIAUYSLDESZ-CQSZACIVSA-N 1 0 319.405 0.374 40 0 DCABRO O=C(CO)N1CCC[C@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257288841 396046181 /nfs/dbraw/zinc/04/61/81/396046181.db2.gz PVYKZQLDIXOZMM-CYBMUJFWSA-N 1 0 306.353 0.453 40 0 DCABRO C[NH2+]CC(=O)N1CCOC[C@](O)(COc2ccc(C)cc2)C1 ZINC000585269432 396643267 /nfs/dbraw/zinc/64/32/67/396643267.db2.gz UGDDKOFCOXWWOA-INIZCTEOSA-N 1 0 308.378 0.183 40 0 DCABRO CC(=O)N1CCC(O)(C[N@@H+]2CC[C@@H]3NC(=O)CCCC[C@H]32)CC1 ZINC000585285059 396646378 /nfs/dbraw/zinc/64/63/78/396646378.db2.gz VSDLAZBGZWODQE-LSDHHAIUSA-N 1 0 323.437 0.493 40 0 DCABRO CCCC[NH2+]C[C@@]1(O)CCN(C(=O)Cc2ccccc2)C[C@@H]1O ZINC000585290657 396647218 /nfs/dbraw/zinc/64/72/18/396647218.db2.gz SHTDOYSHRJJHKA-WMZOPIPTSA-N 1 0 320.433 0.943 40 0 DCABRO C[N@@H+](Cc1cnc2ccccc2n1)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585291243 396648231 /nfs/dbraw/zinc/64/82/31/396648231.db2.gz NRPYQLRJPZLAHP-LYRGGWFBSA-N 1 0 303.362 0.430 40 0 DCABRO OC[N@@H+]1CC[C@]23c4c5c(O)ccc4C[C@H]1[C@@H]2C=C[C@@H](O)[C@@H]3O5 ZINC000005495698 415134842 /nfs/dbraw/zinc/13/48/42/415134842.db2.gz DQDFAEOEIHIMTM-SNFWNPNHSA-N 1 0 301.342 0.518 40 0 DCABRO Cn1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)cn2)nn1 ZINC000332156129 415271608 /nfs/dbraw/zinc/27/16/08/415271608.db2.gz RLVWGWLJYKTBEF-UHFFFAOYSA-N 1 0 315.425 1.353 40 0 DCABRO CN(C)C(=O)N1CC[C@H]2CO[C@H](C[NH+]3CCN(C)CC3)[C@H]2C1 ZINC000096056269 415575578 /nfs/dbraw/zinc/57/55/78/415575578.db2.gz KTVCUVUZKBAYTL-SOUVJXGZSA-N 1 0 310.442 0.252 40 0 DCABRO Cn1cc(C[N@@H+]2C[C@@H]3COC[C@H](C(=O)N4CCCO4)[C@@H]3C2)cn1 ZINC000096040799 415572261 /nfs/dbraw/zinc/57/22/61/415572261.db2.gz JKKJDTFQLSTFDW-KFWWJZLASA-N 1 0 320.393 0.278 40 0 DCABRO CN(C)C(=O)N1CCOC[C@]2(CC[N@@H+](C3CCOCC3)C2)C1 ZINC000096062344 415577543 /nfs/dbraw/zinc/57/75/43/415577543.db2.gz DBYXWKOPZXGGCR-INIZCTEOSA-N 1 0 311.426 0.871 40 0 DCABRO CCOC(=O)[C@]1(C[NH3+])[C@H](c2ccc(F)cc2)[C@@H]1S(C)(=O)=O ZINC000218536321 416327614 /nfs/dbraw/zinc/32/76/14/416327614.db2.gz CLEKZLFEZSGJQW-MBNYWOFBSA-N 1 0 315.366 0.844 40 0 DCABRO CNC(=O)[C@H]1CN(C(=O)c2cc(F)ccc2OC)CC[N@H+](C)C1 ZINC000257287337 277245491 /nfs/dbraw/zinc/24/54/91/277245491.db2.gz PPMZTAXBLXZUBQ-LLVKDONJSA-N 1 0 323.368 0.584 40 0 DCABRO CCc1noc(CCC(=O)N2CC[C@](O)(C[NH+]3CCCC3)C2)n1 ZINC000257243149 333806083 /nfs/dbraw/zinc/80/60/83/333806083.db2.gz IFQLQPZINCCTCW-INIZCTEOSA-N 1 0 322.409 0.624 40 0 DCABRO O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1CCc1ccccc1)O3 ZINC000306131961 534877322 /nfs/dbraw/zinc/87/73/22/534877322.db2.gz KTZGRMNWJCGLEK-ILXRZTDVSA-N 1 0 308.403 0.374 40 0 DCABRO Cc1noc(C)c1C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H](n2ccnc2)[C@H]1O ZINC000952844908 768909846 /nfs/dbraw/zinc/90/98/46/768909846.db2.gz SCTOARNPLMCIHW-ARILJUKYSA-N 1 0 320.349 0.303 40 0 biogenic,in-vitro DCABRO COCC[N@@H+]1CCC[C@H](c2cc(C(=O)N3CCOCC3)[nH]n2)C1 ZINC000257274249 203002161 /nfs/dbraw/zinc/00/21/61/203002161.db2.gz NKEVHHVFXQEDIF-ZDUSSCGKSA-N 1 0 322.409 0.708 40 0 DCABRO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@H](C(N)=O)C2)cc1 ZINC000257279131 203008456 /nfs/dbraw/zinc/00/84/56/203008456.db2.gz OFDFXMFEBQXHDF-CQSZACIVSA-N 1 0 305.378 0.461 40 0 DCABRO O=S(=O)(c1cccc(F)c1)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257340164 203063089 /nfs/dbraw/zinc/06/30/89/203063089.db2.gz ZEVLJOZISWUGMW-ZIAGYGMSSA-N 1 0 314.382 0.655 40 0 DCABRO OCC[NH+]1CCN(CCN2CCn3c4ccccc4nc32)CC1 ZINC000019359908 182118782 /nfs/dbraw/zinc/11/87/82/182118782.db2.gz CHRCZGCNPWLYKL-UHFFFAOYSA-N 1 0 315.421 0.466 40 0 DCABRO CCOc1cc(C=O)ccc1OCCN1CC[NH+](CCO)CC1 ZINC000020131576 182190473 /nfs/dbraw/zinc/19/04/73/182190473.db2.gz AWHQGXARMSWALY-UHFFFAOYSA-N 1 0 322.405 0.887 40 0 DCABRO O[C@H]1[C@H](CN2CCOCC2)OC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000514289722 257216404 /nfs/dbraw/zinc/21/64/04/257216404.db2.gz ZLEPPDDTGPHNIV-HRCADAONSA-N 1 0 310.369 0.376 40 0 biogenic,in-vitro DCABRO CCCC(=O)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224327670 257233027 /nfs/dbraw/zinc/23/30/27/257233027.db2.gz BPHBKZLXDVXICB-UHFFFAOYSA-N 1 0 319.409 0.762 40 0 DCABRO COc1ccc(NC(=O)C[C@@H]2OCCN(CC[NH3+])C2=O)cc1 ZINC000008559498 395684813 /nfs/dbraw/zinc/68/48/13/395684813.db2.gz UIZHGWXVZKOPAH-ZDUSSCGKSA-N 1 0 307.350 0.210 40 0 DCABRO CO[C@@H](C)[C@](O)(C(=O)OCC1=CC[N@@H+]2CC[C@H](O)[C@@H]12)C(C)C ZINC000004245679 395682542 /nfs/dbraw/zinc/68/25/42/395682542.db2.gz LMFKRLGHEKVMNT-ZIEJDFEHSA-N 1 0 313.394 0.327 40 0 in-vitro DCABRO COc1ncccc1CN1CC[C@@H]2[C@@H]1CC(=O)N2CC[NH+](C)C ZINC000096183808 395747353 /nfs/dbraw/zinc/74/73/53/395747353.db2.gz HRWNAQPZBGRSCQ-CABCVRRESA-N 1 0 318.421 0.827 40 0 DCABRO COCCn1c(=O)ccc2c1CC[C@@H]([NH2+]C[C@H]1CCOC1)C2 ZINC000096189683 395748457 /nfs/dbraw/zinc/74/84/57/395748457.db2.gz OQALBXYGWDSOBY-UKRRQHHQSA-N 1 0 306.406 0.978 40 0 DCABRO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@]3(C(=O)NCC3CC3)C2)no1 ZINC000096110024 395745222 /nfs/dbraw/zinc/74/52/22/395745222.db2.gz YRJBABFZYCQCMK-CZUORRHYSA-N 1 0 305.378 0.958 40 0 DCABRO CC(=O)N1CC(=O)N(c2ccsc2)C[C@@]12CC[N@H+](CCO)C2 ZINC000096238232 395750807 /nfs/dbraw/zinc/75/08/07/395750807.db2.gz GCGJYZJSANOBEH-HNNXBMFYSA-N 1 0 323.418 0.380 40 0 DCABRO COc1cc(N2CC[C@H]3[C@H]2CCN3CC(=O)N(C)C)ncn1 ZINC000108526021 395789801 /nfs/dbraw/zinc/78/98/01/395789801.db2.gz HRRGDYYSJQXNJG-NWDGAFQWSA-N 1 0 305.382 0.226 40 0 DCABRO CNC(=O)CCc1cc([C@H]2CCCN(C(=O)C[NH3+])C2)nc(C)n1 ZINC000257207050 396037138 /nfs/dbraw/zinc/03/71/38/396037138.db2.gz BGDRFDYCXUHBJV-LBPRGKRZSA-N 1 0 319.409 0.128 40 0 DCABRO Cc1cc(N(C)C)nc(C2C[NH+](CC3(O)CCOCC3)C2)n1 ZINC000257253768 396044204 /nfs/dbraw/zinc/04/42/04/396044204.db2.gz KAFWDOSAUHWHNP-UHFFFAOYSA-N 1 0 306.410 0.792 40 0 DCABRO COCC(=O)N1CCC[C@@]2(CCN(CC[NH+]3CCCC3)C2=O)C1 ZINC000096224260 292176691 /nfs/dbraw/zinc/17/66/91/292176691.db2.gz WWMUURMCWFSFAG-QGZVFWFLSA-N 1 0 323.437 0.570 40 0 DCABRO CC(=O)N1CCN(c2cnc([C@H]3CCC[N@@H+](C)C3)cn2)CC1 ZINC000072365063 415412920 /nfs/dbraw/zinc/41/29/20/415412920.db2.gz GYJASGCFKWELRA-AWEZNQCLSA-N 1 0 303.410 0.954 40 0 DCABRO CN(C)C(=O)N1CCOC[C@@]2(CC[N@@H+](C3CCOCC3)C2)C1 ZINC000096062345 415575337 /nfs/dbraw/zinc/57/53/37/415575337.db2.gz DBYXWKOPZXGGCR-MRXNPFEDSA-N 1 0 311.426 0.871 40 0 DCABRO Cc1cnc(C(=O)N2C[C@H](OCC[NH+](C)C)[C@H]3COC[C@H]32)cn1 ZINC000096184989 415578298 /nfs/dbraw/zinc/57/82/98/415578298.db2.gz WQHLFALDVXKDBB-CFVMTHIKSA-N 1 0 320.393 0.203 40 0 DCABRO CS(=O)(=O)N[C@@H]1COC[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]21 ZINC000107203755 415661225 /nfs/dbraw/zinc/66/12/25/415661225.db2.gz QWRGWXMETOEIDX-RWMBFGLXSA-N 1 0 316.448 0.744 40 0 DCABRO CN(C)C(=O)[C@H]1CN(C(=O)CCc2ccccc2)CCN1C ZINC000257286863 416334842 /nfs/dbraw/zinc/33/48/42/416334842.db2.gz PNJHBMZTPXPQDH-OAHLLOKOSA-N 1 0 303.406 0.850 40 0 DCABRO Cc1nccc(C(=O)N(C)[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)n1 ZINC000257331011 416335397 /nfs/dbraw/zinc/33/53/97/416335397.db2.gz XQZUINZHFUMAGT-RBSFLKMASA-N 1 0 304.394 0.845 40 0 DCABRO CNC(=O)C[C@@]1(COC)CCC[N@@H+]1Cc1cnc(NC)nc1 ZINC000585279326 416520096 /nfs/dbraw/zinc/52/00/96/416520096.db2.gz XYDSYEZUTUKQFB-OAHLLOKOSA-N 1 0 307.398 0.635 40 0 DCABRO c1cnc(N2CCO[C@H]3C[N@@H+](CC4CCOCC4)C[C@H]32)nc1 ZINC000096054444 275073538 /nfs/dbraw/zinc/07/35/38/275073538.db2.gz AEHBMTGHTCYNLR-CABCVRRESA-N 1 0 304.394 0.793 40 0 DCABRO CCN1CCN(C)C2(CC[NH+](Cc3cnn(C)c3)CC2)C1=O ZINC000096230033 276193505 /nfs/dbraw/zinc/19/35/05/276193505.db2.gz YBFLEGGISJBZTH-UHFFFAOYSA-N 1 0 305.426 0.549 40 0 DCABRO C[N@@H+]1CCN(C(=O)C2=Cc3ccccc3OC2)C[C@@H](C(N)=O)C1 ZINC000257299050 277088566 /nfs/dbraw/zinc/08/85/66/277088566.db2.gz RONJVTHXINGFKA-AWEZNQCLSA-N 1 0 315.373 0.338 40 0 DCABRO CNC(=O)[C@H]1CN(C(=O)C2CCC2)CC[N@@H+](C2CCOCC2)C1 ZINC000257290047 277253171 /nfs/dbraw/zinc/25/31/71/277253171.db2.gz QBIVOYDQPWRFQU-CQSZACIVSA-N 1 0 323.437 0.472 40 0 DCABRO Cc1cnn([C@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH2+]CC3CCCC3)[C@@H]2O)c1 ZINC000952844809 768908182 /nfs/dbraw/zinc/90/81/82/768908182.db2.gz KTQJYSMWPJPIED-DGXTUMSLSA-N 1 0 307.394 0.997 40 0 biogenic,in-vitro DCABRO Cn1cc([C@H]2CC(=O)NC23CC[NH+](C[C@@H]2CCOC2)CC3)cn1 ZINC000096199824 282677191 /nfs/dbraw/zinc/67/71/91/282677191.db2.gz GAXZSCVLVICQGS-DZGCQCFKSA-N 1 0 318.421 0.895 40 0 DCABRO CC(=O)N1CCN(c2cnc([C@@H]3CCC[N@@H+](C)C3)cn2)CC1 ZINC000072365062 191133808 /nfs/dbraw/zinc/13/38/08/191133808.db2.gz GYJASGCFKWELRA-CQSZACIVSA-N 1 0 303.410 0.954 40 0 DCABRO CN(C)c1ncc(C(=O)N2CCOCC2)c(C2CC[NH2+]CC2)n1 ZINC000072367573 191137834 /nfs/dbraw/zinc/13/78/34/191137834.db2.gz IKXGLXPRQOFWJY-UHFFFAOYSA-N 1 0 319.409 0.482 40 0 DCABRO CN1C(=O)[C@H]2[C@H]3CCC[N@@H+]3[C@]3(c4ccccc4NC3=O)[C@@H]2C1=O ZINC000004722470 181142377 /nfs/dbraw/zinc/14/23/77/181142377.db2.gz DCRBRVDUGWUHLR-ZOPJHEKZSA-N 1 0 311.341 0.543 40 0 DCABRO COc1ccc(CC(=O)N2CC[C@@](O)(C[NH+](C)C)C2)cc1F ZINC000257298170 203022948 /nfs/dbraw/zinc/02/29/48/203022948.db2.gz RKLWENQMKGWXEV-MRXNPFEDSA-N 1 0 310.369 0.902 40 0 DCABRO CC(C)([NH3+])C(=O)N1CCC[C@@]2(Cc3c(nc(N)nc3N)O2)CC1 ZINC000257299175 203023129 /nfs/dbraw/zinc/02/31/29/203023129.db2.gz RPAHIXLXPYLHOR-HNNXBMFYSA-N 1 0 320.397 0.065 40 0 DCABRO Cc1cc(C)n(CCCC(=O)N2C[C@@H](O)[C@H]([NH+]3CCCC3)C2)n1 ZINC000257299161 203023786 /nfs/dbraw/zinc/02/37/86/203023786.db2.gz ROYXWJZJMWBYJQ-HZPDHXFCSA-N 1 0 320.437 0.948 40 0 DCABRO CNC(=O)[C@H]1CN(C(=O)CC2(O)CCCCC2)CC[N@H+](C)C1 ZINC000257326562 203051598 /nfs/dbraw/zinc/05/15/98/203051598.db2.gz WXQSAZQJVGGNQN-CYBMUJFWSA-N 1 0 311.426 0.208 40 0 DCABRO Cn1ccc(C(=O)N[C@@H]2CCCC[C@@H]([NH+]3CCCC3)[C@@H]2O)n1 ZINC000257334399 203056096 /nfs/dbraw/zinc/05/60/96/203056096.db2.gz YFSPALDVRRVURM-BPLDGKMQSA-N 1 0 306.410 0.918 40 0 DCABRO COc1cccc(O[C@H]2CC[N@H+](CCC(N)=O)CC[C@@H]2O)c1 ZINC000257321666 203044570 /nfs/dbraw/zinc/04/45/70/203044570.db2.gz WCRAOCPJFQSOGO-GJZGRUSLSA-N 1 0 308.378 0.775 40 0 DCABRO CC(=O)N1CCC(O)(C[N@@H+]2CC[C@H](c3n[nH]cc3C)C2)CC1 ZINC000257340345 203062484 /nfs/dbraw/zinc/06/24/84/203062484.db2.gz ZFPODGFQCSDDCM-AWEZNQCLSA-N 1 0 306.410 0.881 40 0 DCABRO COCCCS(=O)(=O)N1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000274982845 212056512 /nfs/dbraw/zinc/05/65/12/212056512.db2.gz ZLZXYIJSUFGYKY-UHFFFAOYSA-N 1 0 313.423 0.878 40 0 DCABRO C[NH+](C)CCNC(=O)c1nc2c(o1)CN(c1ncccn1)C2 ZINC000096266048 193607223 /nfs/dbraw/zinc/60/72/23/193607223.db2.gz OOAPNUVJKOWVQW-UHFFFAOYSA-N 1 0 302.338 0.276 40 0 DCABRO COCC[N@@H+]1CCOC[C@@]2(CC[C@@H](Cn3ncccc3=O)O2)C1 ZINC000306123780 532974389 /nfs/dbraw/zinc/97/43/89/532974389.db2.gz AWOHEDNDROKMMM-GOEBONIOSA-N 1 0 323.393 0.140 40 0 DCABRO CC(C)[N@@H+]1CCN(C(=O)c2cccc(N(C)C)c2)[C@H](C(N)=O)C1 ZINC000257260554 256620546 /nfs/dbraw/zinc/62/05/46/256620546.db2.gz LDJJQWQLNVFZTQ-HNNXBMFYSA-N 1 0 318.421 0.773 40 0 DCABRO O[C@@H]1[C@@H]([NH+]2CCCC2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1ccccn1 ZINC000012489863 395687789 /nfs/dbraw/zinc/68/77/89/395687789.db2.gz BXOVPKHZCWLPAG-DGXTUMSLSA-N 1 0 305.378 0.120 40 0 biogenic,in-vitro DCABRO COc1ncccc1CN1CC[C@H]2[C@H]1CC[N@@H+]2CC(=O)N(C)C ZINC000096184388 395747587 /nfs/dbraw/zinc/74/75/87/395747587.db2.gz JOCADUWAQRRVAX-CABCVRRESA-N 1 0 318.421 0.827 40 0 DCABRO O=C(CC1CC1)NCc1cnc2n1CC[N@H+]([C@@H]1CCOC1)CC2 ZINC000096197051 395748505 /nfs/dbraw/zinc/74/85/05/395748505.db2.gz UFFZPWUNZOFRKT-CQSZACIVSA-N 1 0 318.421 0.946 40 0 DCABRO COCCO[C@@H]1CC[N@H+]([C@H]2CCOC2)[C@H]1Cc1cnn(C)c1 ZINC000096200237 395748713 /nfs/dbraw/zinc/74/87/13/395748713.db2.gz SHHRFJPECMNSBP-HRCADAONSA-N 1 0 309.410 0.857 40 0 DCABRO CN(C)C(=O)N1CCCn2nnc(COCC[NH+](C)C)c2C1 ZINC000096084349 395743831 /nfs/dbraw/zinc/74/38/31/395743831.db2.gz IKVYLXSANHNBLQ-UHFFFAOYSA-N 1 0 310.402 0.244 40 0 DCABRO Cn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](C4CCC4)C[C@@H]3C2)cn1 ZINC000096108088 395744269 /nfs/dbraw/zinc/74/42/69/395744269.db2.gz BLQFKHXXIJMVCX-DZGCQCFKSA-N 1 0 304.394 0.745 40 0 DCABRO COCC(=O)N1CC[C@@H](OC)[C@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC000096206468 395749599 /nfs/dbraw/zinc/74/95/99/395749599.db2.gz JKPFSVPQGIXJMS-ARFHVFGLSA-N 1 0 319.405 0.776 40 0 DCABRO C[NH+](C)C[C@@H]1CO[C@]2(C1)COCCN(C(=O)c1cccnc1)C2 ZINC000096240638 395751088 /nfs/dbraw/zinc/75/10/88/395751088.db2.gz KGCWFNNVWGAQNJ-PBHICJAKSA-N 1 0 319.405 0.891 40 0 DCABRO O=C(NCc1ccccc1)[C@@H]1CCS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]21 ZINC000096251081 395751991 /nfs/dbraw/zinc/75/19/91/395751991.db2.gz DGXSVFRDKVPSQZ-MGPQQGTHSA-N 1 0 308.403 0.326 40 0 DCABRO CN([C@@H](C(=O)NCC[NH+](C)C)c1ccccc1)S(C)(=O)=O ZINC000225489095 395861465 /nfs/dbraw/zinc/86/14/65/395861465.db2.gz ROBXOWVAJHTZHX-CYBMUJFWSA-N 1 0 313.423 0.297 40 0 DCABRO C[NH+](C)C[C@@H]1CO[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]12 ZINC000247966084 395980602 /nfs/dbraw/zinc/98/06/02/395980602.db2.gz GOXGFYUIWYXGNT-BPLDGKMQSA-N 1 0 310.419 0.884 40 0 DCABRO NC(=O)[C@H]1CN(Cc2nccs2)CC[N@@H+](C2CCOCC2)C1 ZINC000257211180 396037709 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DCABRO C[N@H+](CC(=O)N1CCO[C@H](c2nccnc2N)C1)C1CCCC1 ZINC000257265702 396045021 /nfs/dbraw/zinc/04/50/21/396045021.db2.gz LZXURFSWFNFNTJ-ZDUSSCGKSA-N 1 0 319.409 0.833 40 0 DCABRO O[C@@H]1CC[N@H+](CCC(F)(F)F)C[C@@H](N2CCOCC2)[C@@H]1O ZINC000257299697 396046239 /nfs/dbraw/zinc/04/62/39/396046239.db2.gz RRCNIMABESBCNA-UTUOFQBUSA-N 1 0 312.332 0.067 40 0 DCABRO Cn1ccnc1C(=O)N1CCO[C@@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257269030 396046251 /nfs/dbraw/zinc/04/62/51/396046251.db2.gz MOGQNMVMTTYLKS-ZDUSSCGKSA-N 1 0 315.377 0.871 40 0 DCABRO Cn1cc(C[N@@H+]2C[C@H](c3ccc(F)cc3)[C@@H](O)[C@H]2CO)cn1 ZINC000585293525 396648095 /nfs/dbraw/zinc/64/80/95/396648095.db2.gz YSUQWNAXRYRAFO-BZUAXINKSA-N 1 0 305.353 0.880 40 0 DCABRO COC[C@@H]1CC2(C[N@@H+]1C)CCN(C(=O)c1ccnn1C)CC2 ZINC000585103532 396639313 /nfs/dbraw/zinc/63/93/13/396639313.db2.gz IMEGPEIPGVSMAB-ZDUSSCGKSA-N 1 0 306.410 0.993 40 0 DCABRO Cn1cncc1C[N@@H+]1CCC[C@@]2(CN(c3ncccn3)C2=O)C1 ZINC000585099301 396639333 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DCABRO CN1CCN(C(=O)c2cncc([C@@H]3CCC[N@H+](C)C3)n2)CC1 ZINC000257275276 203004631 /nfs/dbraw/zinc/00/46/31/203004631.db2.gz NOQVLLCMVZPAJR-CYBMUJFWSA-N 1 0 303.410 0.673 40 0 DCABRO Cc1cc(N2CC[N@@H+](C3CCOCC3)C[C@@H](C(N)=O)C2)ncn1 ZINC000257328742 203052425 /nfs/dbraw/zinc/05/24/25/203052425.db2.gz XGXIVLPZBSTEBW-CYBMUJFWSA-N 1 0 319.409 0.188 40 0 DCABRO O=C(Cn1ccnc1)N[C@@H]1CCCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257316304 203040411 /nfs/dbraw/zinc/04/04/11/203040411.db2.gz VEZNSNRKODOMLN-IIAWOOMASA-N 1 0 306.410 0.767 40 0 DCABRO Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@](O)(C[NH+](C)C)CC1 ZINC000257318523 203044162 /nfs/dbraw/zinc/04/41/62/203044162.db2.gz VOHCYWHWVNHSSO-INIZCTEOSA-N 1 0 308.426 0.874 40 0 DCABRO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2ccc3c(c2)OCCO3)C1 ZINC000257321111 203045805 /nfs/dbraw/zinc/04/58/05/203045805.db2.gz WADDMIHMQJJYTG-INIZCTEOSA-N 1 0 306.362 0.596 40 0 DCABRO C[NH+](C)C[C@@]1(O)CCN(C(=O)CCc2cc(Cl)no2)C1 ZINC000257342930 203065794 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CS(=O)(=O)NC[C@@H]1Cn2nccc2C[N@H+](CC2CCC2)C1 ZINC000306127652 533405453 /nfs/dbraw/zinc/40/54/53/533405453.db2.gz GEBKAPBVPCJRRJ-ZDUSSCGKSA-N 1 0 312.439 0.664 40 0 DCABRO c1cnc(N2CCOC3(CC[NH+]([C@@H]4CCOC4)CC3)C2)nc1 ZINC000096159050 285547083 /nfs/dbraw/zinc/54/70/83/285547083.db2.gz VVAWVFMZSWJLHN-CQSZACIVSA-N 1 0 304.394 0.937 40 0 DCABRO CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2CN1CCOCC1 ZINC000020503804 395691257 /nfs/dbraw/zinc/69/12/57/395691257.db2.gz KDWLKWSRYJUPEM-HRCADAONSA-N 1 0 324.469 0.737 40 0 biogenic,in-vitro DCABRO Cc1cnc(N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)nc1 ZINC000096185611 395747409 /nfs/dbraw/zinc/74/74/09/395747409.db2.gz DQBQDSGCBASAQK-ILXRZTDVSA-N 1 0 313.409 0.976 40 0 DCABRO COCC[N@@H+]1C[C@H](NC(=O)c2nccn2C)[C@H]2OCCC[C@H]21 ZINC000096186886 395747932 /nfs/dbraw/zinc/74/79/32/395747932.db2.gz LCPYOENLTFGKLQ-YNEHKIRRSA-N 1 0 308.382 0.028 40 0 DCABRO O=C(c1[nH]nc2c1C[N@H+](C[C@H]1CCOC1)CC2)N1CCOCC1 ZINC000096187402 395747984 /nfs/dbraw/zinc/74/79/84/395747984.db2.gz YIGIABFOHVZFMB-GFCCVEGCSA-N 1 0 320.393 0.277 40 0 DCABRO COCCn1c(=O)ccc2c1CC[C@@H]([NH2+]C[C@@H]1CCOC1)C2 ZINC000096189681 395748424 /nfs/dbraw/zinc/74/84/24/395748424.db2.gz OQALBXYGWDSOBY-DZGCQCFKSA-N 1 0 306.406 0.978 40 0 DCABRO C[NH+](C)CCOCc1nnc2n1CCN(Cc1ccoc1)C2 ZINC000096084414 395743848 /nfs/dbraw/zinc/74/38/48/395743848.db2.gz KHSUREHMNJPHOX-UHFFFAOYSA-N 1 0 305.382 0.965 40 0 DCABRO Cc1cnc(C(=O)N2C[C@@H]3C[N@H+](CC4CC4)CCO[C@@H]3C2)cn1 ZINC000096205844 395749243 /nfs/dbraw/zinc/74/92/43/395749243.db2.gz DNZOGCACNHGCNY-GOEBONIOSA-N 1 0 316.405 0.968 40 0 DCABRO CN(C)S(=O)(=O)N1C[C@@H]2COC[C@]2(C[NH+]2CCCCC2)C1 ZINC000096208325 395749609 /nfs/dbraw/zinc/74/96/09/395749609.db2.gz QSMMFKXRZWHXMU-KGLIPLIRSA-N 1 0 317.455 0.227 40 0 DCABRO O=C(NC1CC1)N1C[C@H]2CN(CC[NH+]3CCCC3)C(=O)[C@H]2C1 ZINC000096245050 395751495 /nfs/dbraw/zinc/75/14/95/395751495.db2.gz CQGJDLRYSMUQOJ-OCCSQVGLSA-N 1 0 306.410 0.344 40 0 DCABRO CN(C)C(=O)CO[C@@H]1CCOC2(CN(Cc3cccnc3)C2)C1 ZINC000248049938 395982400 /nfs/dbraw/zinc/98/24/00/395982400.db2.gz XFTCZMSKFISUMS-OAHLLOKOSA-N 1 0 319.405 0.920 40 0 DCABRO OC1(C[N@@H+]2CCOC[C@@H]2CCc2cnccn2)CCOCC1 ZINC000257266243 396045399 /nfs/dbraw/zinc/04/53/99/396045399.db2.gz MCCQRQSQBQGGGW-HNNXBMFYSA-N 1 0 307.394 0.652 40 0 DCABRO O=C(N[C@@H]1CC[C@H](O)[C@@H]([NH+]2CCCCC2)[C@@H]1O)c1cnco1 ZINC000257269823 396046322 /nfs/dbraw/zinc/04/63/22/396046322.db2.gz MROACPYWSWKGQS-ZMJPVWNMSA-N 1 0 309.366 0.143 40 0 DCABRO CNC(=O)C[C@@H]1C[N@H+](Cc2cnc(N(C)C)nc2)CC[C@H]1OC ZINC000585277417 396643900 /nfs/dbraw/zinc/64/39/00/396643900.db2.gz UJMWALYMXSKGIM-ZIAGYGMSSA-N 1 0 321.425 0.516 40 0 DCABRO COC[C@@H]1CC2(C[N@@H+]1C)CCN(C(=O)c1ncn(C)n1)CC2 ZINC000585103298 396639376 /nfs/dbraw/zinc/63/93/76/396639376.db2.gz BHOMJLQTWVJJAC-LBPRGKRZSA-N 1 0 307.398 0.388 40 0 DCABRO CCOc1ccc(NC(=O)C(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000059483679 415340719 /nfs/dbraw/zinc/34/07/19/415340719.db2.gz WKGRFEQRXSPXHT-UHFFFAOYSA-N 1 0 320.393 0.045 40 0 DCABRO C[NH+]1CCN(c2ccc3ccc(C(=O)NCCO)cn32)CC1 ZINC000096038365 415571036 /nfs/dbraw/zinc/57/10/36/415571036.db2.gz JAIVBHLNUQWZFK-UHFFFAOYSA-N 1 0 302.378 0.413 40 0 DCABRO CN(c1ncccn1)[C@H]1CO[C@]2(CCN(C(=O)C[NH+](C)C)C2)C1 ZINC000096072877 415576748 /nfs/dbraw/zinc/57/67/48/415576748.db2.gz ZTNGFWUELNRGJV-CZUORRHYSA-N 1 0 319.409 0.234 40 0 DCABRO O=C1CCCN1C[C@H]1Cn2ccnc2C[N@H+](C[C@H]2CCOC2)C1 ZINC000107209589 415661323 /nfs/dbraw/zinc/66/13/23/415661323.db2.gz AMOUVZRXLRPKGM-HUUCEWRRSA-N 1 0 318.421 0.974 40 0 DCABRO CC(C)N1CCN(C(=O)c2cccc(N(C)C)c2)C[C@@H]1C(N)=O ZINC000257256453 416335132 /nfs/dbraw/zinc/33/51/32/416335132.db2.gz KLOIGMRERMQYNA-OAHLLOKOSA-N 1 0 318.421 0.773 40 0 DCABRO CN(C)C(=O)CN1CCC[C@@]1(CCCc1cnccn1)C(N)=O ZINC000257269387 416335164 /nfs/dbraw/zinc/33/51/64/416335164.db2.gz MPSXIADVFQLLCN-INIZCTEOSA-N 1 0 319.409 0.207 40 0 DCABRO CN(C)C(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[NH2+]C2 ZINC000306128404 276744049 /nfs/dbraw/zinc/74/40/49/276744049.db2.gz GZMSFWLRSJVJBE-OAHLLOKOSA-N 1 0 303.366 0.144 40 0 DCABRO CC(C)CCC1(CCSC(N)=[NH2+])C(=O)NC(=O)NC1=O ZINC000004899927 277350277 /nfs/dbraw/zinc/35/02/77/277350277.db2.gz FVAHULUKYLLTRL-UHFFFAOYSA-N 1 0 300.384 0.792 40 0 DCABRO CC(=O)N1CCC[C@H]1C(=O)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257218249 278024158 /nfs/dbraw/zinc/02/41/58/278024158.db2.gz DCJWFJKXYLDZOB-HOCLYGCPSA-N 1 0 309.410 0.057 40 0 DCABRO CC(=O)N1CCO[C@](C)(C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000257246645 278050311 /nfs/dbraw/zinc/05/03/11/278050311.db2.gz IVBWXLMJEDNMRR-KRWDZBQOSA-N 1 0 323.437 0.711 40 0 DCABRO COC(=O)[C@H]1CN(CC[NH3+])CCN1C(=O)OCc1ccccc1 ZINC000079419896 185170691 /nfs/dbraw/zinc/17/06/91/185170691.db2.gz FIBFTMTWZYYNAJ-CQSZACIVSA-N 1 0 321.377 0.441 40 0 DCABRO CC(=O)N1CCN(c2ccc(C[C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000072386752 191145612 /nfs/dbraw/zinc/14/56/12/191145612.db2.gz DSAQUJHUVNEQLC-AWEZNQCLSA-N 1 0 303.410 0.687 40 0 DCABRO CC(C)NC(=O)NC[C@H]1OC[C@@H]([NH2+]Cc2cccnc2)[C@@H]1O ZINC000077264908 191682801 /nfs/dbraw/zinc/68/28/01/191682801.db2.gz JIKSJLYHPWXEMF-MCIONIFRSA-N 1 0 308.382 0.007 40 0 biogenic,in-vitro DCABRO NC(=O)[C@H]([NH3+])CCC[C@H]1NC(=S)N(c2ccccc2)C1=O ZINC000006575388 181356049 /nfs/dbraw/zinc/35/60/49/181356049.db2.gz XZPWKRZDRFWUGL-GHMZBOCLSA-N 1 0 306.391 0.259 40 0 DCABRO C[NH2+]CC(=O)N1CCC[C@@H]1c1cccc(CN2CCOCC2)n1 ZINC000257276617 203003935 /nfs/dbraw/zinc/00/39/35/203003935.db2.gz NUMPXZISWHCYBG-MRXNPFEDSA-N 1 0 318.421 0.797 40 0 DCABRO COCCC(=O)N1C[C@@H](O)[C@H]([N@H+](C)Cc2ccc(OC)cc2)C1 ZINC000257306214 203029757 /nfs/dbraw/zinc/02/97/57/203029757.db2.gz STICBSXWEHOVRZ-HZPDHXFCSA-N 1 0 322.405 0.735 40 0 DCABRO Cc1nc([C@@H]2COCCN2C(=O)C2CC[NH2+]CC2)cc(=O)[nH]1 ZINC000257290418 203016043 /nfs/dbraw/zinc/01/60/43/203016043.db2.gz QCWHHPBIKGDABW-ZDUSSCGKSA-N 1 0 306.366 0.390 40 0 DCABRO CN1CC[NH+](C[C@]2(O)CCN(C(=O)c3ccsc3)C2)CC1 ZINC000257327280 203051772 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C[NH+]1CCC(NC(=O)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000061031196 184160122 /nfs/dbraw/zinc/16/01/22/184160122.db2.gz PYHVASGOEQNDEJ-UHFFFAOYSA-N 1 0 311.407 0.882 40 0 DCABRO COC[C@@]1(C[NH3+])[C@H](S(C)(=O)=O)[C@H]1c1ccc2c(c1)OCO2 ZINC000242495198 257120744 /nfs/dbraw/zinc/12/07/44/257120744.db2.gz FZKSKURBGOAIMN-MGPQQGTHSA-N 1 0 313.375 0.517 40 0 DCABRO CC[NH+](CC)C[C@@H]1OC[C@H](NC(=O)Nc2cccnc2)[C@H]1O ZINC000514289309 257216472 /nfs/dbraw/zinc/21/64/72/257216472.db2.gz PSESWXOMBDQSJC-MELADBBJSA-N 1 0 308.382 0.673 40 0 biogenic,in-vitro DCABRO CS(=O)(=O)NC[C@H]1CO[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]12 ZINC000306131624 533408945 /nfs/dbraw/zinc/40/89/45/533408945.db2.gz KKJDJHTXNJPBAZ-YNEHKIRRSA-N 1 0 316.448 0.744 40 0 DCABRO O=C(c1cnccn1)N1C[C@@H]2C[N@H+](C3CCOCC3)C[C@@H]2C1 ZINC000096182352 395747502 /nfs/dbraw/zinc/74/75/02/395747502.db2.gz SLPNFURXAIRTQW-BETUJISGSA-N 1 0 302.378 0.659 40 0 DCABRO C[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]3CCCO3)CC[C@@H]21 ZINC000096185683 395748075 /nfs/dbraw/zinc/74/80/75/395748075.db2.gz PFTYMSKWFCUJHT-UGUYLWEFSA-N 1 0 318.421 0.983 40 0 DCABRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3ccncc3)C[C@H]21 ZINC000096054307 395741386 /nfs/dbraw/zinc/74/13/86/395741386.db2.gz HJXFFIRCOYVESQ-CABCVRRESA-N 1 0 304.394 0.168 40 0 DCABRO O=C(c1ccoc1)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+]1CCCC1 ZINC000096054382 395741698 /nfs/dbraw/zinc/74/16/98/395741698.db2.gz ZWQHKZKCQYGRGF-CVEARBPZSA-N 1 0 319.405 0.901 40 0 DCABRO Cn1cc(C(=O)NCc2cn3c(n2)C[N@@H+](CC2CC2)CC3)cn1 ZINC000096197450 395748719 /nfs/dbraw/zinc/74/87/19/395748719.db2.gz OTDHCBDALHBDDZ-UHFFFAOYSA-N 1 0 314.393 0.772 40 0 DCABRO CN(C)C(=O)COC[C@H]1C[N@H+](CC2CC2)Cc2nnn(C)c21 ZINC000096086926 395743936 /nfs/dbraw/zinc/74/39/36/395743936.db2.gz LXHNLSLIEWGIKH-GFCCVEGCSA-N 1 0 307.398 0.229 40 0 DCABRO C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)c1c[nH]cn1 ZINC000096082439 395743988 /nfs/dbraw/zinc/74/39/88/395743988.db2.gz VIFQJRZDNYDPSZ-NWANDNLSSA-N 1 0 322.409 0.608 40 0 DCABRO CO[C@H]1CCN(S(C)(=O)=O)[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096109503 395745032 /nfs/dbraw/zinc/74/50/32/395745032.db2.gz HEVKOFJXXBUZRA-MJBXVCDLSA-N 1 0 314.407 0.760 40 0 DCABRO C[NH2+][C@H]1CC2(CCN(C(=O)Cn3ccnc3)CC2)OC[C@]1(C)O ZINC000257214578 396039257 /nfs/dbraw/zinc/03/92/57/396039257.db2.gz CMNFZXPQJHKGNV-ZFWWWQNUSA-N 1 0 322.409 0.004 40 0 DCABRO CN(C)C(=O)c1cccc(C2CC[NH+]([C@@H]3COC[C@@H]3O)CC2)n1 ZINC000257250499 396043349 /nfs/dbraw/zinc/04/33/49/396043349.db2.gz JMTYXITYQJLFHZ-CVEARBPZSA-N 1 0 319.405 0.723 40 0 DCABRO Nc1nccnc1C[C@H]1CCCN(C(=O)C2CC[NH2+]CC2)C1 ZINC000257257099 396044730 /nfs/dbraw/zinc/04/47/30/396044730.db2.gz KOCOXDIYEZDEQX-GFCCVEGCSA-N 1 0 303.410 0.840 40 0 DCABRO O=C(N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1O)c1cnc[nH]1 ZINC000257264474 396045465 /nfs/dbraw/zinc/04/54/65/396045465.db2.gz LUNNHBQCNQJFKX-HUUCEWRRSA-N 1 0 300.362 0.427 40 0 DCABRO Cc1nc[nH]c1CN1CC[N@@H+](C2CCOCC2)C[C@H](C(N)=O)C1 ZINC000257268699 396046105 /nfs/dbraw/zinc/04/61/05/396046105.db2.gz MMVBNGULIUZJCH-CYBMUJFWSA-N 1 0 321.425 0.116 40 0 DCABRO C[NH2+]CCOc1ccc(C(=O)N2C[C@H](O)[C@]3(CCCO3)C2)cc1 ZINC000257326676 396046303 /nfs/dbraw/zinc/04/63/03/396046303.db2.gz WYDZVTPUHWQCRQ-RDJZCZTQSA-N 1 0 320.389 0.651 40 0 DCABRO CC(C)(C)CC(=O)NC[C@H]1OC[C@@H]([NH2+]C2CCOCC2)[C@@H]1O ZINC000077263849 396216125 /nfs/dbraw/zinc/21/61/25/396216125.db2.gz ASTQBFTWOJAJRP-NFAWXSAZSA-N 1 0 314.426 0.436 40 0 biogenic,in-vitro DCABRO COCC(=O)NC[C@H]1OC[C@@H]([NH2+]C2CCC(F)(F)CC2)[C@@H]1O ZINC000077264113 396216320 /nfs/dbraw/zinc/21/63/20/396216320.db2.gz GSYSIOSTPDYEAI-WZRBSPASSA-N 1 0 322.352 0.045 40 0 biogenic,in-vitro DCABRO CCOC[C@H](O)C[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000330390969 159167425 /nfs/dbraw/zinc/16/74/25/159167425.db2.gz ZNSZGPNYTNNLGP-CYBMUJFWSA-N 1 0 320.455 0.274 40 0 DCABRO COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H]([C@H]2O)[N@@H+](C)CC[C@]314 ZINC000095864691 415564509 /nfs/dbraw/zinc/56/45/09/415564509.db2.gz ZDGQZOCAKDGPRA-QYCRFYRPSA-N 1 0 315.369 0.992 40 0 DCABRO O=C(NC1CC1)[C@H]1C[C@@H]2CCN(CC[NH+]3CCCC3)C[C@H]2O1 ZINC000096042768 415571668 /nfs/dbraw/zinc/57/16/68/415571668.db2.gz HLVXCPQMYJCQBP-NUEKZKHPSA-N 1 0 307.438 0.840 40 0 DCABRO Cn1cc(C[N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)NC3CC3)C2)cn1 ZINC000096038781 415573834 /nfs/dbraw/zinc/57/38/34/415573834.db2.gz OAGDUMFDZVVLOH-GDBMZVCRSA-N 1 0 304.394 0.680 40 0 DCABRO c1cnc(N2CC[C@]3(C2)COCC[N@@H+]([C@@H]2CCOC2)C3)nc1 ZINC000096070401 415578445 /nfs/dbraw/zinc/57/84/45/415578445.db2.gz OEHCKIAIXUUOGR-ZBFHGGJFSA-N 1 0 304.394 0.794 40 0 DCABRO O=CNc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000363301618 262110769 /nfs/dbraw/zinc/11/07/69/262110769.db2.gz APBUWCWQCSZYJV-JKSUJKDBSA-N 1 0 317.389 0.926 40 0 DCABRO CC[NH+](CC)C[C@@H](O)CNC(=O)[C@H]1COc2ccccc2O1 ZINC000002679837 276331300 /nfs/dbraw/zinc/33/13/00/276331300.db2.gz ZVAXTJMUCHBWPY-SWLSCSKDSA-N 1 0 308.378 0.645 40 0 DCABRO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000333810966 288326247 /nfs/dbraw/zinc/32/62/47/288326247.db2.gz JIBRJIVAQSDGQB-OPRDCNLKSA-N 1 0 307.316 0.511 40 0 DCABRO CN1c2ncccc2S(=O)(=O)N(C)[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC000306141198 290322527 /nfs/dbraw/zinc/32/25/27/290322527.db2.gz VOCSPVVGTKZYMS-OLZOCXBDSA-N 1 0 322.434 0.615 40 0 DCABRO O[C@@H]1[C@@H](n2cncn2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccccc1F ZINC000952844670 768908755 /nfs/dbraw/zinc/90/87/55/768908755.db2.gz GREHQNJLVXNWBD-ARILJUKYSA-N 1 0 320.324 0.233 40 0 biogenic,in-vitro DCABRO O=C(C1CC[NH2+]CC1)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 ZINC000257219099 202953676 /nfs/dbraw/zinc/95/36/76/202953676.db2.gz DFOJOPSWUBZCKJ-HUUCEWRRSA-N 1 0 308.353 0.776 40 0 DCABRO [NH3+]CCCCC(=O)N1C[C@@H](O)[C@@H](Cc2cn3ccnc3cn2)C1 ZINC000257304697 203030721 /nfs/dbraw/zinc/03/07/21/203030721.db2.gz SMTKDKLMABMDRV-GXTWGEPZSA-N 1 0 317.393 0.220 40 0 DCABRO O=C(NCCO)c1cc([C@H]2C[NH2+]CCO2)nc2ccccc21 ZINC000257311147 203035782 /nfs/dbraw/zinc/03/57/82/203035782.db2.gz UIETXJJITKGQEC-OAHLLOKOSA-N 1 0 301.346 0.618 40 0 DCABRO C[NH+](C)C[C@]1(O)CCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000257283614 203012047 /nfs/dbraw/zinc/01/20/47/203012047.db2.gz OZAHBMINPVVPMW-CYBMUJFWSA-N 1 0 302.371 0.513 40 0 DCABRO CCCn1nc(C)c(C(=O)N2CC[N@H+](C)C[C@H](C(N)=O)C2)c1C ZINC000257319717 203042927 /nfs/dbraw/zinc/04/29/27/203042927.db2.gz VTTYJHRIIZMHPQ-ZDUSSCGKSA-N 1 0 321.425 0.399 40 0 DCABRO CN(C)S(=O)(=O)c1cccc(C(=O)NCCC[NH+](C)C)c1 ZINC000007771687 181494132 /nfs/dbraw/zinc/49/41/32/181494132.db2.gz PAZNQLAXGWIBAM-UHFFFAOYSA-N 1 0 313.423 0.618 40 0 DCABRO CCCC(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2nccnc21 ZINC000019501749 182126050 /nfs/dbraw/zinc/12/60/50/182126050.db2.gz XOUHEIGROUNDFW-LLVKDONJSA-N 1 0 302.382 0.820 40 0 DCABRO C(C1CC1)[N@@H+]1CCOC[C@@]2(CC[C@H](CN3CCOCC3)O2)C1 ZINC000096052370 395741306 /nfs/dbraw/zinc/74/13/06/395741306.db2.gz IFRHBCQUXJFFCV-IAGOWNOFSA-N 1 0 310.438 0.979 40 0 DCABRO O=C(N[C@H]1C[N@H+](CC2CC2)[C@H]2CCCO[C@@H]12)c1cnccn1 ZINC000096056366 395741552 /nfs/dbraw/zinc/74/15/52/395741552.db2.gz QEZLTJDCEUEEET-KKUMJFAQSA-N 1 0 302.378 0.848 40 0 DCABRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3cccs3)C[C@H]21 ZINC000096054312 395741621 /nfs/dbraw/zinc/74/16/21/395741621.db2.gz ADVOTDPHSKDDTE-OLZOCXBDSA-N 1 0 309.435 0.835 40 0 DCABRO C=CC(=O)N1Cc2nnn(C)c2[C@@H](COCC[NH+]2CCCC2)C1 ZINC000096068835 395742682 /nfs/dbraw/zinc/74/26/82/395742682.db2.gz XGSWWHGYXLLWKS-CYBMUJFWSA-N 1 0 319.409 0.539 40 0 DCABRO Cn1cc([C@@H]2CC(=O)NC23CC[NH+]([C@H]2CCOC2)CC3)cn1 ZINC000096199829 395748744 /nfs/dbraw/zinc/74/87/44/395748744.db2.gz FPLNFVWQQSMKNE-KBPBESRZSA-N 1 0 304.394 0.647 40 0 DCABRO C[NH+](C)CCN1CCO[C@H]2CCN(C(=O)c3cc[nH]n3)CC[C@@H]21 ZINC000096082192 395743972 /nfs/dbraw/zinc/74/39/72/395743972.db2.gz BCMPYLDEQWLUQO-GJZGRUSLSA-N 1 0 321.425 0.277 40 0 DCABRO COCC[N@@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1cnccn1)CC[C@H]2OC ZINC000096110979 395745185 /nfs/dbraw/zinc/74/51/85/395745185.db2.gz ODZICCYAARHXMG-NWANDNLSSA-N 1 0 320.393 0.284 40 0 DCABRO O=S(=O)(CCN1CC[NH2+]CC1)c1nc2ccccc2s1 ZINC000096524248 395754397 /nfs/dbraw/zinc/75/43/97/395754397.db2.gz VKFDHUMYOXGUET-UHFFFAOYSA-N 1 0 311.432 0.975 40 0 DCABRO COCCNC(=O)C[C@]12COC[C@H]1C[N@H+](Cc1ccncc1)C2 ZINC000096206216 395749491 /nfs/dbraw/zinc/74/94/91/395749491.db2.gz LPMXJFFVHZCQAE-WBVHZDCISA-N 1 0 319.405 0.683 40 0 DCABRO O=C(NCc1ccncc1)C1=NO[C@]2(C1)CCC[N@@H+](CCO)C2 ZINC000096225357 395750615 /nfs/dbraw/zinc/75/06/15/395750615.db2.gz HGGWWLCKIXHNKA-INIZCTEOSA-N 1 0 318.377 0.301 40 0 DCABRO Cn1cc(N2C[C@@]3(CC[N@H+](CC4CC4)C3)N(C)CC2=O)cn1 ZINC000096230547 395750991 /nfs/dbraw/zinc/75/09/91/395750991.db2.gz XIJGLEXMACFGQY-INIZCTEOSA-N 1 0 303.410 0.553 40 0 DCABRO OC[C@H]1C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)[C@H](O)[C@@H]1O ZINC000225503132 395861347 /nfs/dbraw/zinc/86/13/47/395861347.db2.gz FBCBBVAHCYDTAJ-JHEVNIALSA-N 1 0 305.296 0.898 40 0 biogenic,in-vitro DCABRO CC1(C)CC([NH2+][C@H]2CCS(=O)(=O)C2)CC(C)(C)N1C=O ZINC000225705237 395862884 /nfs/dbraw/zinc/86/28/84/395862884.db2.gz KCKSDKRZGUSSLU-NSHDSACASA-N 1 0 302.440 0.941 40 0 DCABRO C[N@@H+]1CCN(C(=O)c2ccc3c(c2)CCC3)C[C@H](C(N)=O)C1 ZINC000257206164 396036828 /nfs/dbraw/zinc/03/68/28/396036828.db2.gz BCDFBHXTTHFHCG-OAHLLOKOSA-N 1 0 301.390 0.664 40 0 DCABRO c1c(CC2([NH2+]CC3CC3)COC2)noc1CN1CCOCC1 ZINC000067898424 396038221 /nfs/dbraw/zinc/03/82/21/396038221.db2.gz AQXJSQVJWLOSAU-UHFFFAOYSA-N 1 0 307.394 0.818 40 0 biogenic,in-vitro DCABRO CC(=O)NCc1ccnc([C@@H]2CCCN2C(=O)C[NH+](C)C)n1 ZINC000257223216 396039636 /nfs/dbraw/zinc/03/96/36/396039636.db2.gz DWKFCQCOSFAINS-ZDUSSCGKSA-N 1 0 305.382 0.338 40 0 DCABRO C[N@@H+]1CCCN(C(=O)c2cccc(-c3cnc(N)nc3)n2)CC1 ZINC000257252651 396043452 /nfs/dbraw/zinc/04/34/52/396043452.db2.gz JVOVZIRSFHNPFQ-UHFFFAOYSA-N 1 0 312.377 0.899 40 0 DCABRO COc1ccc(OCC(=O)N2CC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000257267877 396044952 /nfs/dbraw/zinc/04/49/52/396044952.db2.gz MJEMDBHGENMODN-INIZCTEOSA-N 1 0 308.378 0.599 40 0 DCABRO [NH3+][C@H]1CCN(C(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000166639682 396088912 /nfs/dbraw/zinc/08/89/12/396088912.db2.gz XNRHTENCTZKMOJ-NSHDSACASA-N 1 0 315.295 0.995 40 0 DCABRO Cc1cccc(OC[C@@]2(O)COCCN(C(=O)CC[NH3+])C2)c1 ZINC000585269430 396643264 /nfs/dbraw/zinc/64/32/64/396643264.db2.gz UGBSDNXJCQHZQR-INIZCTEOSA-N 1 0 308.378 0.313 40 0 DCABRO CO[C@@H]1COC[C@@H](CNC(=O)CC[NH+]2CCCCCC2)[C@@H]1O ZINC000585285981 396646377 /nfs/dbraw/zinc/64/63/77/396646377.db2.gz GOYICAXBGMMSDZ-FMKPAKJESA-N 1 0 314.426 0.391 40 0 DCABRO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)C1CC(F)C1 ZINC000585108494 396639956 /nfs/dbraw/zinc/63/99/56/396639956.db2.gz XCSMCJAEFDYFJE-NWINJMCUSA-N 1 0 311.401 0.888 40 0 DCABRO CN(C)C(=O)C[C@@H]1COC[C@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]21 ZINC000096040824 415573903 /nfs/dbraw/zinc/57/39/03/415573903.db2.gz ZKJDCOKDJDZXQN-KFWWJZLASA-N 1 0 306.410 0.593 40 0 DCABRO COCCC(=O)N1CCN(CCc2ccccc2)[C@@H](C(N)=O)C1 ZINC000257259438 416334973 /nfs/dbraw/zinc/33/49/73/416334973.db2.gz KYITYZWWQLSOMC-OAHLLOKOSA-N 1 0 319.405 0.264 40 0 DCABRO CCc1noc(CCC(=O)N2C[C@@H](O)[C@H]([NH+]3CCCC3)C2)n1 ZINC000257228869 416335053 /nfs/dbraw/zinc/33/50/53/416335053.db2.gz FVPNSODYEOXYQN-VXGBXAGGSA-N 1 0 308.382 0.232 40 0 DCABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(F)cc2)[C@@H]1S(C)(=O)=O ZINC000218536453 416327616 /nfs/dbraw/zinc/32/76/16/416327616.db2.gz CLEKZLFEZSGJQW-SGMGOOAPSA-N 1 0 315.366 0.844 40 0 DCABRO CN(C)C(=O)CO[C@H]1CSC2(C[NH+](C3CCOCC3)C2)C1 ZINC000248067047 276743098 /nfs/dbraw/zinc/74/30/98/276743098.db2.gz ZZYUKIGXZFESKO-CYBMUJFWSA-N 1 0 314.451 0.830 40 0 DCABRO CC(=O)N1CCS(=O)(=O)[C@@H]2CC[N@H+](CC(C)C)CC[C@@H]21 ZINC000096083107 277000809 /nfs/dbraw/zinc/00/08/09/277000809.db2.gz JZTQBWJQTVKCDG-UONOGXRCSA-N 1 0 302.440 0.752 40 0 DCABRO CN1c2ncccc2S(=O)(=O)N(C)[C@H]2C[N@@H+](CC3CC3)C[C@@H]21 ZINC000306141200 290322458 /nfs/dbraw/zinc/32/24/58/290322458.db2.gz VOCSPVVGTKZYMS-STQMWFEESA-N 1 0 322.434 0.615 40 0 DCABRO CN(C)C(=O)N1CCN(Cc2ccoc2)C[C@@]2(CNC(=O)C2)C1 ZINC000097952715 332203364 /nfs/dbraw/zinc/20/33/64/332203364.db2.gz NGIUGNSVKQSVNM-MRXNPFEDSA-N 1 0 320.393 0.585 40 0 DCABRO COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCCCC1 ZINC000012602445 522763843 /nfs/dbraw/zinc/76/38/43/522763843.db2.gz GJEJFFGUQWRZLK-HRCADAONSA-N 1 0 309.454 0.945 40 0 biogenic,in-vitro DCABRO C=C1NC(NN)=[NH+][C@@H](c2ccc3c(c2)OCO3)C1C(=O)OCC ZINC000408731293 528616947 /nfs/dbraw/zinc/61/69/47/528616947.db2.gz LOGYUJCZRIGKJC-ZDUSSCGKSA-N 1 0 318.333 0.716 40 0 DCABRO CCOC[C@@H]1CC[N@H+](C)C2(CN(C(=O)c3cn(C)cn3)C2)C1 ZINC000306139591 528937868 /nfs/dbraw/zinc/93/78/68/528937868.db2.gz TVNOENFPRCCKSC-CYBMUJFWSA-N 1 0 306.410 0.993 40 0 DCABRO CN(C)C(=O)CN1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1=O ZINC000306134311 231086987 /nfs/dbraw/zinc/08/69/87/231086987.db2.gz NISBWLNCPZPRAC-WMLDXEAASA-N 1 0 301.390 0.680 40 0 DCABRO C[N@@H+]1C[C@@H]2Cn3c(nnc3C(=O)NCc3ccccc3)C[C@@H]2C1 ZINC000306132885 529823969 /nfs/dbraw/zinc/82/39/69/529823969.db2.gz LVHGSUGMPDSOCQ-ZIAGYGMSSA-N 1 0 311.389 0.942 40 0 DCABRO Cc1cnc(N2C[C@H]3C[C@@H](C(=O)NCC[NH+](C)C)[C@@H](C2)O3)nc1 ZINC000107845359 185494047 /nfs/dbraw/zinc/49/40/47/185494047.db2.gz SLMVIGVDETURLK-MGPQQGTHSA-N 1 0 319.409 0.057 40 0 DCABRO CC[NH+](CC)CCNS(=O)(=O)c1cnn(-c2ccccn2)c1 ZINC000072239021 191083225 /nfs/dbraw/zinc/08/32/25/191083225.db2.gz ICUYYQJFYNQKBD-UHFFFAOYSA-N 1 0 323.422 0.887 40 0 DCABRO CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)C[NH+](CCO)CCO ZINC000006617274 181361591 /nfs/dbraw/zinc/36/15/91/181361591.db2.gz DDMGCGGKEMYWRP-ANQUJSFKSA-N 1 0 315.454 0.865 40 0 DCABRO Cn1cc(C(=O)N[C@@H]2CCCC[C@@H]([NH+]3CCCC3)[C@@H]2O)cn1 ZINC000257297570 203022425 /nfs/dbraw/zinc/02/24/25/203022425.db2.gz RHVYNIVPIQZHNO-RBSFLKMASA-N 1 0 306.410 0.918 40 0 DCABRO C[NH+](C)[C@@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)C[C@H]1O ZINC000257335907 203058107 /nfs/dbraw/zinc/05/81/07/203058107.db2.gz YMJYXGUWXVSKSJ-VXGBXAGGSA-N 1 0 306.334 0.260 40 0 DCABRO Nc1cc(CC[C@@H]2CN(CC(=O)N3CCCC3)CCO2)cc[nH+]1 ZINC000257320826 203046316 /nfs/dbraw/zinc/04/63/16/203046316.db2.gz VYUGYZITUZWGJC-OAHLLOKOSA-N 1 0 318.421 0.920 40 0 DCABRO CNC(=O)[C@@H]1CN(C(=O)c2ccnn2C(C)C)CC[N@H+](C)C1 ZINC000257336442 203058400 /nfs/dbraw/zinc/05/84/00/203058400.db2.gz YOKVOJFXBDADHM-LBPRGKRZSA-N 1 0 307.398 0.214 40 0 DCABRO CC(=O)N[C@H]1CC[N@H+](Cc2cccc(OCCO)c2)CC[C@@H]1O ZINC000257344915 203067729 /nfs/dbraw/zinc/06/77/29/203067729.db2.gz ZZELZWADGZMDMN-IRXDYDNUSA-N 1 0 322.405 0.519 40 0 DCABRO C[NH+](C)CCCNC(=O)C(=O)NCCc1c[nH]c2ccccc12 ZINC000010017648 181653702 /nfs/dbraw/zinc/65/37/02/181653702.db2.gz HNSGAGVKMJPFKU-UHFFFAOYSA-N 1 0 316.405 0.895 40 0 DCABRO CC[NH+]1CCN(C[C@H](O)COc2ccc(C(=O)OC)cc2)CC1 ZINC000022466330 182323145 /nfs/dbraw/zinc/32/31/45/182323145.db2.gz TVNZTLWUGDLINA-HNNXBMFYSA-N 1 0 322.405 0.850 40 0 DCABRO CS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@]1(N)C[NH3+] ZINC000252516675 257106616 /nfs/dbraw/zinc/10/66/16/257106616.db2.gz VXDGQQJHJDKERH-GMTAPVOTSA-N 1 0 319.224 0.616 40 0 DCABRO C=C1NC(NN)=[NH+][C@H](c2ccc(O)c(OC)c2)C1C(=O)OCC ZINC000033728452 395717646 /nfs/dbraw/zinc/71/76/46/395717646.db2.gz AZSSLESZYJSTAF-CYBMUJFWSA-N 1 0 320.349 0.702 40 0 DCABRO CNC(=O)[C@H]1C[C@@H]2CN(Cc3cccnc3OC)C[C@@H]2[N@@H+]1C ZINC000096182496 395747417 /nfs/dbraw/zinc/74/74/17/395747417.db2.gz MWEQGVJGLZTBJI-MCIONIFRSA-N 1 0 304.394 0.341 40 0 DCABRO O=C([C@H]1COC[C@H]2C[N@@H+](C3CCOCC3)C[C@H]21)N1CCCO1 ZINC000096040813 395741013 /nfs/dbraw/zinc/74/10/13/395741013.db2.gz WQOHFKOBUZAJOT-YUELXQCFSA-N 1 0 310.394 0.524 40 0 DCABRO Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)[C@@H]2CCOC2)cn1 ZINC000096063997 395742448 /nfs/dbraw/zinc/74/24/48/395742448.db2.gz ORPHJZRNNHQOGY-QLFBSQMISA-N 1 0 304.394 0.632 40 0 DCABRO c1nc(C[NH+]2CCC3(C[C@@H](N4CCOCC4)CO3)CC2)c[nH]1 ZINC000096074147 395743328 /nfs/dbraw/zinc/74/33/28/395743328.db2.gz XXESZDRZPBSXLL-OAHLLOKOSA-N 1 0 306.410 0.865 40 0 DCABRO CNC(=O)C[C@@H]1CO[C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]12 ZINC000096216427 395749747 /nfs/dbraw/zinc/74/97/47/395749747.db2.gz IKKFFCZTVDCZII-XJKCOSOUSA-N 1 0 318.373 0.998 40 0 DCABRO COCCNC(=S)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000223886169 395857486 /nfs/dbraw/zinc/85/74/86/395857486.db2.gz YEAJZVHKRGFLCQ-UHFFFAOYSA-N 1 0 309.439 0.766 40 0 DCABRO Cc1cc2ncc(C[NH+](C)C)c([C@@H]3CN(CCO)CCO3)n2n1 ZINC000257208973 396037676 /nfs/dbraw/zinc/03/76/76/396037676.db2.gz BOIWFIWFVOQUOI-AWEZNQCLSA-N 1 0 319.409 0.465 40 0 DCABRO Cc1nc2ccccn2c1CC(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC000257238159 396041760 /nfs/dbraw/zinc/04/17/60/396041760.db2.gz HJVDNVHLZVKUCR-QGZVFWFLSA-N 1 0 316.405 0.710 40 0 DCABRO CCOc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@@H](C(N)=O)C2)cc1 ZINC000257250756 396043613 /nfs/dbraw/zinc/04/36/13/396043613.db2.gz JNWXYIXBRHGVIH-HNNXBMFYSA-N 1 0 319.405 0.851 40 0 DCABRO Cc1noc(C)c1CCC(=O)N1CC[N@@H+](C)C[C@@H](C(N)=O)C1 ZINC000257255641 396044122 /nfs/dbraw/zinc/04/41/22/396044122.db2.gz KIHWWXSRTFTGBX-GFCCVEGCSA-N 1 0 308.382 0.100 40 0 DCABRO CC(C)(C)CC(=O)NC[C@H]1OC[C@@H]([NH2+]Cc2cccnc2)[C@@H]1O ZINC000077263902 396216379 /nfs/dbraw/zinc/21/63/79/396216379.db2.gz XXVJBJKCPZOVSQ-FMKPAKJESA-N 1 0 321.421 0.852 40 0 biogenic,in-vitro DCABRO O[C@@H]1COC[C@@H](C[NH2+]Cc2ccnc(-c3ccccc3)n2)[C@@H]1O ZINC000585285524 396646295 /nfs/dbraw/zinc/64/62/95/396646295.db2.gz FCKPSMKDQQMYKL-BMFZPTHFSA-N 1 0 315.373 0.601 40 0 DCABRO CO[C@@H]1COC[C@@H]([N@H+](C)Cc2ccc3nccnc3c2)[C@@H]1O ZINC000585290988 396648174 /nfs/dbraw/zinc/64/81/74/396648174.db2.gz JWNXRTFMKKTJCI-OAGGEKHMSA-N 1 0 303.362 0.836 40 0 DCABRO Cc1noc(C)c1CN1C[C@]2(CCC[N@H+](C[C@H](O)CO)C2)C1=O ZINC000585099613 396639006 /nfs/dbraw/zinc/63/90/06/396639006.db2.gz SHDKQCINRXSAGN-XJKSGUPXSA-N 1 0 323.393 0.069 40 0 DCABRO COCC[N@@H+]1CCC[C@]2(CN(c3ccc(=O)n(C)c3)C2=O)C1 ZINC000585099708 396639128 /nfs/dbraw/zinc/63/91/28/396639128.db2.gz ZABUAPXQWRXWAN-MRXNPFEDSA-N 1 0 305.378 0.461 40 0 DCABRO C[NH+](C)C[C@H]1CCn2nccc2CN1C(=O)c1cnccn1 ZINC000585097893 396639202 /nfs/dbraw/zinc/63/92/02/396639202.db2.gz SPJAXXWLEYZTGB-GFCCVEGCSA-N 1 0 300.366 0.649 40 0 DCABRO CC[C@H](C)[N@@H+]1CCC[C@@]2(CN(CCS(C)(=O)=O)C2=O)C1 ZINC000585099599 396639353 /nfs/dbraw/zinc/63/93/53/396639353.db2.gz RWKVSGBRSFMXRM-JSGCOSHPSA-N 1 0 302.440 0.754 40 0 DCABRO Cc1noc(CC(=O)N2C[C@@H]3C[N@H+](CC4CCOCC4)C[C@@H]32)n1 ZINC000585108239 396640096 /nfs/dbraw/zinc/64/00/96/396640096.db2.gz BFCNQLWKNJHGED-KBPBESRZSA-N 1 0 320.393 0.490 40 0 DCABRO CC(=O)N1C[C@@H]2COCCN2C2(C[NH+](CC3CCOCC3)C2)C1 ZINC000604381836 397638609 /nfs/dbraw/zinc/63/86/09/397638609.db2.gz QZCSTPOBJUFQLB-MRXNPFEDSA-N 1 0 323.437 0.030 40 0 biogenic,in-vitro DCABRO COC[C@@H]1CC2(C[N@@H+]1CC(=O)N(C)C)CCN(C(C)=O)CC2 ZINC000096207707 415575365 /nfs/dbraw/zinc/57/53/65/415575365.db2.gz OWLGCPHSSHGVRQ-AWEZNQCLSA-N 1 0 311.426 0.424 40 0 DCABRO CN(C)C(=O)N1CCC2(C[C@@H]([NH+]3CCN(C)CC3)CO2)CC1 ZINC000096048872 415575977 /nfs/dbraw/zinc/57/59/77/415575977.db2.gz DHGDBTBVUPYSQO-CQSZACIVSA-N 1 0 310.442 0.539 40 0 DCABRO CC(C)[N@@H+]1CCOC[C@@]2(CN(S(=O)(=O)C3CC3)CCO2)C1 ZINC000096049764 415576453 /nfs/dbraw/zinc/57/64/53/415576453.db2.gz PURPFXFQISHGKL-AWEZNQCLSA-N 1 0 318.439 0.290 40 0 DCABRO CN(C)C(=O)Cn1cc2c(n1)[C@@H](C[NH2+]C1CCOCC1)OCC2 ZINC000096044347 415572888 /nfs/dbraw/zinc/57/28/88/415572888.db2.gz SRTUIRAJVGTHRR-CQSZACIVSA-N 1 0 322.409 0.354 40 0 DCABRO O=S(=O)(C1CC1)N1CCO[C@@H]2C[N@@H+](C3CCC3)C[C@@H]2C1 ZINC000096205888 415577282 /nfs/dbraw/zinc/57/72/82/415577282.db2.gz YSDHHFRFLUIRGF-BXUZGUMPSA-N 1 0 300.424 0.664 40 0 DCABRO CN(C)C(=O)COC[C@@H]1Cn2nccc2C[N@@H+]([C@H]2CCOC2)C1 ZINC000107722315 415670443 /nfs/dbraw/zinc/67/04/43/415670443.db2.gz DRPATPRTAUTRNS-ZFWWWQNUSA-N 1 0 322.409 0.209 40 0 DCABRO CNC(=O)[C@]1(CCCc2cnccn2)CCC[N@H+](CC(N)=O)C1 ZINC000257331238 416335391 /nfs/dbraw/zinc/33/53/91/416335391.db2.gz XRYABQPWPYABQZ-MRXNPFEDSA-N 1 0 319.409 0.113 40 0 DCABRO Cc1ccc(OCC(=O)N2CC3(C2)C[C@H](CO)C[N@H+]3C)cc1 ZINC000585093982 416517455 /nfs/dbraw/zinc/51/74/55/416517455.db2.gz WDVZPZOWLDFTIM-AWEZNQCLSA-N 1 0 304.390 0.899 40 0 DCABRO CNC(=O)C[C@]1(COC)CCC[N@@H+]1Cc1cnc(NC)nc1 ZINC000585279321 416519304 /nfs/dbraw/zinc/51/93/04/416519304.db2.gz XYDSYEZUTUKQFB-HNNXBMFYSA-N 1 0 307.398 0.635 40 0 DCABRO C[C@@H]1CCCN(c2ncc3c(n2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC000096251988 287361307 /nfs/dbraw/zinc/36/13/07/287361307.db2.gz AJUHZRLXWSEELD-KGYLQXTDSA-N 1 0 322.434 0.697 40 0 DCABRO CN(C)C(=O)N1CCOC[C@@]2(C[C@H](C[NH+]3CCCC3)CO2)C1 ZINC000096052046 281955825 /nfs/dbraw/zinc/95/58/25/281955825.db2.gz XMZKDOBLTGFUOH-GDBMZVCRSA-N 1 0 311.426 0.871 40 0 DCABRO CN(C)C(=O)N1CCN(Cc2ccoc2)C[C@]2(CNC(=O)C2)C1 ZINC000097952716 332203413 /nfs/dbraw/zinc/20/34/13/332203413.db2.gz NGIUGNSVKQSVNM-INIZCTEOSA-N 1 0 320.393 0.585 40 0 DCABRO C[N@@H+]1C[C@@H](C(=O)N2CC(O)C2)[C@@H]2COc3ccc(F)cc3[C@@H]21 ZINC001772595478 1157780113 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COCCNC(=O)[C@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]2OCC[C@H]21 ZINC000096041130 415573499 /nfs/dbraw/zinc/57/34/99/415573499.db2.gz CMYYNAFSKSJZQW-SOUVJXGZSA-N 1 0 322.409 0.020 40 0 DCABRO Cc1cc(CN2C[C@@H]3COC[C@]3(C[NH+]3CCOCC3)C2)no1 ZINC000096207261 415578402 /nfs/dbraw/zinc/57/84/02/415578402.db2.gz YLPGBPSOBFJHGY-ZBFHGGJFSA-N 1 0 307.394 0.764 40 0 DCABRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)Cn1c2ccccc2n(C)c1=O ZINC000297317726 415963168 /nfs/dbraw/zinc/96/31/68/415963168.db2.gz GKYTWPBDJJARDC-VXGBXAGGSA-N 1 0 302.378 0.678 40 0 DCABRO Cc1ncc(C(=O)N[C@@H]2CCC[C@@H]([NH+]3CCCC3)[C@@H]2O)cn1 ZINC000257284524 416334863 /nfs/dbraw/zinc/33/48/63/416334863.db2.gz PCZZIBIQGDGPED-RBSFLKMASA-N 1 0 304.394 0.893 40 0 DCABRO COCCC(=O)N1CCN(CCc2ccccc2)[C@H](C(N)=O)C1 ZINC000257259437 416335191 /nfs/dbraw/zinc/33/51/91/416335191.db2.gz KYITYZWWQLSOMC-HNNXBMFYSA-N 1 0 319.405 0.264 40 0 DCABRO O=S(=O)(C1CC1)N1CC2(C1)C[C@@H](CO)C[N@@H+]2CC1CC1 ZINC000585093874 416518924 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Cc1cc(Nc2cnccn2)nc([C@@H]2CCN(C(=O)C[NH3+])C2)n1 ZINC000072382991 191143278 /nfs/dbraw/zinc/14/32/78/191143278.db2.gz TWGZLMRZXYMTHQ-LLVKDONJSA-N 1 0 313.365 0.593 40 0 DCABRO CNC(=O)[C@H]1CN(C(=O)CCc2cccs2)CC[N@H+](C)C1 ZINC000257301735 203024887 /nfs/dbraw/zinc/02/48/87/203024887.db2.gz RZSVGLAFHPBZMU-GFCCVEGCSA-N 1 0 309.435 0.817 40 0 DCABRO Nc1cc(CC[C@@H]2CN(C(=O)c3ccncn3)CCO2)cc[nH+]1 ZINC000257285929 203013367 /nfs/dbraw/zinc/01/33/67/203013367.db2.gz PJLQLBSFRYYQFY-CYBMUJFWSA-N 1 0 313.361 0.928 40 0 DCABRO CNC(=O)[C@@H]1CN(C(=O)C2CCC2)CC[N@@H+](C2CCOCC2)C1 ZINC000257290046 203015477 /nfs/dbraw/zinc/01/54/77/203015477.db2.gz QBIVOYDQPWRFQU-AWEZNQCLSA-N 1 0 323.437 0.472 40 0 DCABRO CCn1nc(C)c(C[N@@H+]2CC[C@H](O)[C@@H](NC(C)=O)CC2)c1C ZINC000257327809 203051055 /nfs/dbraw/zinc/05/10/55/203051055.db2.gz XCUSLLDUIPCRGL-HOTGVXAUSA-N 1 0 308.426 0.981 40 0 DCABRO CN1CC[NH+](C[C@@]2(O)CCN(C(=O)c3ccccc3F)C2)CC1 ZINC000257334942 203055941 /nfs/dbraw/zinc/05/59/41/203055941.db2.gz YHYNPFSZQMJUGK-KRWDZBQOSA-N 1 0 321.396 0.650 40 0 DCABRO COc1ccc(CNC(=O)[C@H]2C[NH2+]Cc3cn(C)nc32)cc1 ZINC000257334231 203056302 /nfs/dbraw/zinc/05/63/02/203056302.db2.gz YFCNFDSOBKZYAB-AWEZNQCLSA-N 1 0 300.362 0.932 40 0 DCABRO CN(C)C(=O)[C@]1(CCCc2cccnc2)CCCN1C(=O)C[NH3+] ZINC000257318936 203043974 /nfs/dbraw/zinc/04/39/74/203043974.db2.gz VPZZYANKDDUCQZ-KRWDZBQOSA-N 1 0 318.421 0.812 40 0 DCABRO COc1ccc(N2C(=O)C[C@H]([NH2+]CCc3c[nH]cn3)C2=O)cc1 ZINC000017052695 182071688 /nfs/dbraw/zinc/07/16/88/182071688.db2.gz BTNCFGDKDXJXMS-AWEZNQCLSA-N 1 0 314.345 0.883 40 0 DCABRO COCCC(=O)N1CCC[C@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019593143 182133202 /nfs/dbraw/zinc/13/32/02/182133202.db2.gz GUHHIRUPVSVJGC-LBPRGKRZSA-N 1 0 304.394 0.865 40 0 DCABRO O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCCC1)c1ccccc1 ZINC000020465008 182220768 /nfs/dbraw/zinc/22/07/68/182220768.db2.gz FYQMWMLYWDNMAQ-FXUDXRNXSA-N 1 0 320.389 0.001 40 0 biogenic,in-vitro DCABRO CC(=O)N1CC2(C1)C[N@H+](Cc1ccccc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514289198 257216163 /nfs/dbraw/zinc/21/61/63/257216163.db2.gz JHUMKAHEJYVINU-DLBZAZTESA-N 1 0 315.417 0.538 40 0 biogenic,in-vitro DCABRO COC[C@H]1CCC[N@@H+]1C[C@@H]1OC[C@H](NC(=O)C2CCC2)[C@H]1O ZINC000514289106 257216307 /nfs/dbraw/zinc/21/63/07/257216307.db2.gz SOPFLDGDNUQHSJ-CBBWQLFWSA-N 1 0 312.410 0.142 40 0 biogenic,in-vitro DCABRO O=S1(=O)N[C@@H]2C[N@@H+](C3CCOCC3)C[C@@H]2Oc2ccccc21 ZINC000514289263 257216558 /nfs/dbraw/zinc/21/65/58/257216558.db2.gz GYWUECRWYDJXSV-OCCSQVGLSA-N 1 0 324.402 0.589 40 0 biogenic,in-vitro DCABRO COc1ncc(C2(O)CC[NH+](C[C@H]3CCOC3)CC2)c(OC)n1 ZINC000012186348 395687241 /nfs/dbraw/zinc/68/72/41/395687241.db2.gz VIMVMXRICTVGQF-GFCCVEGCSA-N 1 0 323.393 0.814 40 0 DCABRO NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)C[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000001607830 395680853 /nfs/dbraw/zinc/68/08/53/395680853.db2.gz FQRLGZIGRMSTAX-OLZOCXBDSA-N 1 0 320.393 0.480 40 0 DCABRO CN(C)c1cc(NC[C@@H]2CC[C@]3(C[NH2+]CCOC3)O2)ncn1 ZINC000096160690 395746681 /nfs/dbraw/zinc/74/66/81/395746681.db2.gz OBCPOJDJEPOULR-SWLSCSKDSA-N 1 0 307.398 0.492 40 0 DCABRO C[NH+](C)CCNC(=O)[C@H]1C[C@H]2[C@H](CCN2Cc2nccs2)O1 ZINC000096183648 395747131 /nfs/dbraw/zinc/74/71/31/395747131.db2.gz RWBGTMWMLAFQCW-RWMBFGLXSA-N 1 0 324.450 0.553 40 0 DCABRO COCC[N@@H+]1CC[C@@H]2O[C@H](C(=O)NCc3cccnc3)C[C@@H]21 ZINC000096186584 395747642 /nfs/dbraw/zinc/74/76/42/395747642.db2.gz CKWWHYNTFYTIDS-KKUMJFAQSA-N 1 0 305.378 0.576 40 0 DCABRO CN(C)C(=O)CN1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC000096196873 395748492 /nfs/dbraw/zinc/74/84/92/395748492.db2.gz VUXWRLGNLPBHTO-UHFFFAOYSA-N 1 0 305.426 0.425 40 0 DCABRO Cn1cc(C[N@@H+]2C[C@@H](C(=O)NC3CC3)C[C@H]3OCC[C@H]32)cn1 ZINC000096057657 395741900 /nfs/dbraw/zinc/74/19/00/395741900.db2.gz KOJHIPAVGVOPRT-NWANDNLSSA-N 1 0 304.394 0.678 40 0 DCABRO CN1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3CC3CC3)O2)CC1 ZINC000096057511 395742099 /nfs/dbraw/zinc/74/20/99/395742099.db2.gz GKUUZUXIAGBEDR-BZUAXINKSA-N 1 0 307.438 0.792 40 0 DCABRO CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@@H+]([C@@H]1CCOC1)CC2 ZINC000096067759 395742717 /nfs/dbraw/zinc/74/27/17/395742717.db2.gz AYYIAZMHFNLONU-CQSZACIVSA-N 1 0 319.405 0.126 40 0 DCABRO C[NH+](C)CC(=O)N1CC2(C1)OCC[C@@H]2COc1ccccn1 ZINC000247954759 395980689 /nfs/dbraw/zinc/98/06/89/395980689.db2.gz CQVLCDZGPLNBFL-CYBMUJFWSA-N 1 0 305.378 0.640 40 0 DCABRO C[N@@H+]1CCN(CC2=Cc3ccccc3OC2)C[C@@H](C(N)=O)C1 ZINC000257206932 396036743 /nfs/dbraw/zinc/03/67/43/396036743.db2.gz BFNMACLQQBTCTG-HNNXBMFYSA-N 1 0 301.390 0.811 40 0 DCABRO COc1cc(OC)cc(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000257203200 396036813 /nfs/dbraw/zinc/03/68/13/396036813.db2.gz APAQSLUFUYCEID-MRXNPFEDSA-N 1 0 308.378 0.842 40 0 DCABRO CNC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2cncnc2)c1 ZINC000257242613 396042776 /nfs/dbraw/zinc/04/27/76/396042776.db2.gz IDHYXAUNYAYICB-MRXNPFEDSA-N 1 0 311.389 0.983 40 0 DCABRO CCOCCCNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000170335596 158374659 /nfs/dbraw/zinc/37/46/59/158374659.db2.gz DMJOBKFELZMSKT-UHFFFAOYSA-N 1 0 313.442 0.955 40 0 DCABRO C[C@@H]1CN(C=O)C[C@H](C)[N@H+]1CCN1[C@@H](C)CN(C=O)C[C@@H]1C ZINC000023480269 415157311 /nfs/dbraw/zinc/15/73/11/415157311.db2.gz FVBASKGPRGZFKZ-YHUYYLMFSA-N 1 0 310.442 0.088 40 0 DCABRO CNC(=O)[C@@H]1C[C@H]2C[N@H+](CC3CCOCC3)C[C@H]2N1C(C)=O ZINC000096081545 415575850 /nfs/dbraw/zinc/57/58/50/415575850.db2.gz ABJLRJRKLDBBLY-SOUVJXGZSA-N 1 0 309.410 0.080 40 0 DCABRO c1cn2c(n1)CN([C@H]1CCOC1)C[C@H](C[NH+]1CCOCC1)C2 ZINC000107776508 415673289 /nfs/dbraw/zinc/67/32/89/415673289.db2.gz FZJKNIXBGPNDNO-CABCVRRESA-N 1 0 306.410 0.436 40 0 DCABRO C[C@H](CO)Nc1nc(NCCC2CC[NH2+]CC2)cc(C2CC2)[nH+]1 ZINC000329040227 416146342 /nfs/dbraw/zinc/14/63/42/416146342.db2.gz SBPWZFHCPJQOOD-GFCCVEGCSA-N 1 0 319.453 0.792 40 0 DCABRO CNC(=O)[C@]1(C)CN(C(=O)C2CC[NH+](C(C)C)CC2)CCO1 ZINC000257229129 416334966 /nfs/dbraw/zinc/33/49/66/416334966.db2.gz FWTPYNUUZQVQIM-INIZCTEOSA-N 1 0 311.426 0.470 40 0 DCABRO O=C(CN1CCCCCC1=O)N[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257283317 416335131 /nfs/dbraw/zinc/33/51/31/416335131.db2.gz OXTRLTRRMUZRTL-CKEIUWERSA-N 1 0 323.437 0.493 40 0 DCABRO CCn1c2ncc3c(c2c(=O)n(CC[NH3+])c1=O)CCCC3=O ZINC000022610566 276712663 /nfs/dbraw/zinc/71/26/63/276712663.db2.gz GGWHICHGHGMVJY-UHFFFAOYSA-N 1 0 302.334 0.056 40 0 DCABRO CC(=O)NCC(=O)N1Cc2nccn2C[C@H](C[NH+]2CCCC2)C1 ZINC000096188392 278094316 /nfs/dbraw/zinc/09/43/16/278094316.db2.gz KVYHIPJODYOHDS-AWEZNQCLSA-N 1 0 319.409 0.073 40 0 DCABRO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)N1CCCC1 ZINC000096083138 289152060 /nfs/dbraw/zinc/15/20/60/289152060.db2.gz OVIONMUQSQHXSH-ZIAGYGMSSA-N 1 0 308.426 0.829 40 0 DCABRO C[NH+](C)C[C@H]1CO[C@@]2(C1)COCCN(C(=O)c1cccnc1)C2 ZINC000096240639 289218735 /nfs/dbraw/zinc/21/87/35/289218735.db2.gz KGCWFNNVWGAQNJ-WMLDXEAASA-N 1 0 319.405 0.891 40 0 DCABRO O=c1[nH]nc2c(N3CC[C@@H]([NH2+]Cc4cccnc4)C3)nccn12 ZINC001772501434 1190702069 /nfs/dbraw/zinc/70/20/69/1190702069.db2.gz VOSNWIWRHGZFPU-GFCCVEGCSA-N 1 0 311.349 0.593 40 0 DCABRO CCCN1CCN(C(=O)c2cc3n(n2)C[C@@H]([NH+](C)C)C3)CC1 ZINC001772499528 1190702161 /nfs/dbraw/zinc/70/21/61/1190702161.db2.gz WTILSIMNIFUIPT-AWEZNQCLSA-N 1 0 305.426 0.537 40 0 DCABRO Cc1nccn1[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]CC2CCCC2)[C@@H]1O ZINC000952844934 768909597 /nfs/dbraw/zinc/90/95/97/768909597.db2.gz VCOCRKQGEJTVKA-DGXTUMSLSA-N 1 0 307.394 0.997 40 0 biogenic,in-vitro DCABRO O[C@H]1CO[C@H](Cn2cc(C3CC3)nn2)[C@@H]1[NH2+]Cc1cccnc1 ZINC001549160300 1014157380 /nfs/dbraw/zinc/15/73/80/1014157380.db2.gz CQHOIMFWCNKDBU-ARFHVFGLSA-N 1 0 315.377 0.469 40 0 DCABRO C[NH+](C)Cc1ccc(C(=O)N2CCO[C@@](C)(C(N)=O)C2)cc1 ZINC000072378241 191141127 /nfs/dbraw/zinc/14/11/27/191141127.db2.gz KTPBRYXBQKYXGI-MRXNPFEDSA-N 1 0 305.378 0.465 40 0 DCABRO C[N@H+](CCC(=O)N1CCO[C@@](C)(C(N)=O)C1)Cc1cccnc1 ZINC000072379793 191142648 /nfs/dbraw/zinc/14/26/48/191142648.db2.gz BCQFLNOHKQDTKB-MRXNPFEDSA-N 1 0 320.393 0.006 40 0 DCABRO COC(=O)C1[C@H](c2ccc(OC)cc2)[C@@H](C(=O)OC)O[N+]1=O ZINC000001590411 180876263 /nfs/dbraw/zinc/87/62/63/180876263.db2.gz MLHJRFGGXNOJGD-JQWIXIFHSA-N 1 0 309.274 0.390 40 0 DCABRO O=c1c2ccccc2ncn1C[C@@]1(O)C[C@@H]2[NH2+]CCC[C@@H]2O1 ZINC000005432583 181242866 /nfs/dbraw/zinc/24/28/66/181242866.db2.gz YLYLCQRQSRDSQR-OFQRWUPVSA-N 1 0 301.346 0.626 40 0 biogenic,in-vitro DCABRO C[NH2+]CCOc1cccc(C(=O)N[C@@H]2CCC[C@@H](O)[C@@H]2O)c1 ZINC000257253941 202986893 /nfs/dbraw/zinc/98/68/93/202986893.db2.gz KAYMZLHIMVUHGJ-RBSFLKMASA-N 1 0 308.378 0.289 40 0 DCABRO CNC(=O)[C@H]1CN(C(C)=O)CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000257279168 203007457 /nfs/dbraw/zinc/00/74/57/203007457.db2.gz OFIITUVZNCVDCC-CQSZACIVSA-N 1 0 307.369 0.852 40 0 DCABRO Cc1ncncc1C(=O)N(C)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257280505 203009123 /nfs/dbraw/zinc/00/91/23/203009123.db2.gz OLDDGRANIVNSKX-RBSFLKMASA-N 1 0 304.394 0.845 40 0 DCABRO Cn1ccc(C(=O)NC[C@H]2C[C@]3(C)[C@@H](CCCC[C@@H]3O)[NH2+]2)n1 ZINC000257290840 203016364 /nfs/dbraw/zinc/01/63/64/203016364.db2.gz QENUELOVZKURCP-OEYIWLLWSA-N 1 0 306.410 0.822 40 0 DCABRO CC(=O)Nc1cnn(CC2CC[NH+]([C@@H]3COC[C@H]3O)CC2)c1 ZINC000257312553 203036393 /nfs/dbraw/zinc/03/63/93/203036393.db2.gz UOMMJXOTBVRTSB-HUUCEWRRSA-N 1 0 308.382 0.313 40 0 DCABRO C[NH+](C)C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCc2ccccc2C1 ZINC000020465257 182220977 /nfs/dbraw/zinc/22/09/77/182220977.db2.gz IIJJQPQSIIXXLW-LTIDMASMSA-N 1 0 306.406 0.096 40 0 biogenic,in-vitro DCABRO [NH3+]CCCCCCNC(=S)NC[C@@H]1CCS(=O)(=O)C1 ZINC000040167866 183043733 /nfs/dbraw/zinc/04/37/33/183043733.db2.gz OQIOJJUDYGSEPQ-NSHDSACASA-N 1 0 307.485 0.404 40 0 DCABRO C[C@@H]1CN(C=O)C[C@H](C)N1CC[N@H+]1[C@H](C)CN(C=O)C[C@@H]1C ZINC000022581624 395691899 /nfs/dbraw/zinc/69/18/99/395691899.db2.gz FVBASKGPRGZFKZ-GEEKYZPCSA-N 1 0 310.442 0.088 40 0 DCABRO CCOC(=O)C(C[NH+]1CCCCC1)(NC(C)=O)C(=O)OCC ZINC000001689526 395681175 /nfs/dbraw/zinc/68/11/75/395681175.db2.gz ITSRCUZYOGWUPG-UHFFFAOYSA-N 1 0 314.382 0.473 40 0 DCABRO O=S(=O)(C1CC1)N1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC000096161648 395746944 /nfs/dbraw/zinc/74/69/44/395746944.db2.gz CIILODIILWWCQB-BETUJISGSA-N 1 0 307.419 0.937 40 0 DCABRO C=CC(=O)N1Cc2nnn(C)c2[C@H](COCC[NH+]2CCCC2)C1 ZINC000096068836 395742367 /nfs/dbraw/zinc/74/23/67/395742367.db2.gz XGSWWHGYXLLWKS-ZDUSSCGKSA-N 1 0 319.409 0.539 40 0 DCABRO C[NH+](C)CC(=O)N1C[C@@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 ZINC000096065953 395742418 /nfs/dbraw/zinc/74/24/18/395742418.db2.gz BDMHFBGEJYWHOV-INMHGKMJSA-N 1 0 319.405 0.918 40 0 DCABRO CO[C@@H]1CCN(S(C)(=O)=O)[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096108612 395745115 /nfs/dbraw/zinc/74/51/15/395745115.db2.gz HEVKOFJXXBUZRA-BFHYXJOUSA-N 1 0 314.407 0.760 40 0 DCABRO CNC(=O)N1CCC2(CC[C@@]3(C(=O)NC)C[N@H+](C)C[C@@H]23)CC1 ZINC000096262415 395752452 /nfs/dbraw/zinc/75/24/52/395752452.db2.gz PPRXGSABVHNHKM-BLLLJJGKSA-N 1 0 308.426 0.496 40 0 DCABRO COCC(=O)N1CCC2(CCC(=O)N2CC[NH+]2CCCC2)CC1 ZINC000096228141 395750167 /nfs/dbraw/zinc/75/01/67/395750167.db2.gz QMQAJWDOKMBQTK-UHFFFAOYSA-N 1 0 323.437 0.712 40 0 DCABRO C[NH+](C)CC(=O)N1CCCn2nnc(Cn3cccc3)c2C1 ZINC000096259514 395752044 /nfs/dbraw/zinc/75/20/44/395752044.db2.gz VVHYVVGBTCYDKV-UHFFFAOYSA-N 1 0 302.382 0.422 40 0 DCABRO O=S(=O)(NC[C@H]1C[NH2+]Cc2ccnn2C1)c1ccccc1 ZINC000247298497 395970902 /nfs/dbraw/zinc/97/09/02/395970902.db2.gz DHGHDQPTHYODIO-GFCCVEGCSA-N 1 0 306.391 0.581 40 0 DCABRO [NH3+][C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCC(O)CC1 ZINC000257220310 396039249 /nfs/dbraw/zinc/03/92/49/396039249.db2.gz DKIPOYMZRRHGDJ-WCVJEAGWSA-N 1 0 310.369 0.490 40 0 DCABRO Cc1ccc2nc(C(=O)N3C[C@@H](O)[C@H]([NH+]4CCCC4)C3)cn2c1 ZINC000257221932 396039682 /nfs/dbraw/zinc/03/96/82/396039682.db2.gz DREVPKGBIJOCEV-HUUCEWRRSA-N 1 0 314.389 0.924 40 0 DCABRO C[NH+](C)[C@@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)C[C@H]1O ZINC000257248414 396043282 /nfs/dbraw/zinc/04/32/82/396043282.db2.gz JDOXMMXLZFCGIP-RKDXNWHRSA-N 1 0 306.288 0.035 40 0 DCABRO O=S(=O)(N[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O)c1cccnc1 ZINC000257247973 396043335 /nfs/dbraw/zinc/04/33/35/396043335.db2.gz JBLJHCCBEYJNID-MGPQQGTHSA-N 1 0 311.407 0.348 40 0 DCABRO CN1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3c[nH]cn3)CC2)CC1 ZINC000257257909 396044704 /nfs/dbraw/zinc/04/47/04/396044704.db2.gz KROZJXWNLYDBRT-MRXNPFEDSA-N 1 0 321.425 0.014 40 0 DCABRO CC(=O)N1CC[N@H+](Cc2ncccc2C)C[C@H](C(=O)N(C)C)C1 ZINC000257267927 396045494 /nfs/dbraw/zinc/04/54/94/396045494.db2.gz MJMHAZRDJZEYFU-HNNXBMFYSA-N 1 0 318.421 0.759 40 0 DCABRO Cc1cnn(C)c1C[N@@H+]1C[C@H](O)[C@@H](CC(=O)N2CCCC2)C1 ZINC000585276935 396644083 /nfs/dbraw/zinc/64/40/83/396644083.db2.gz STYQBNZBWHTGCL-ZFWWWQNUSA-N 1 0 306.410 0.534 40 0 DCABRO O=C(Cc1ccccc1)N1CC[C@](O)(C[NH+]2CCCC2)[C@@H](O)C1 ZINC000585282170 396646254 /nfs/dbraw/zinc/64/62/54/396646254.db2.gz BIMIHMWRJUUPIB-WMZOPIPTSA-N 1 0 318.417 0.649 40 0 DCABRO O[C@@H]1COC[C@@H](C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)[C@@H]1O ZINC000585286316 396646509 /nfs/dbraw/zinc/64/65/09/396646509.db2.gz KQKIGAQPYBXNJQ-WQVCFCJDSA-N 1 0 321.352 0.469 40 0 DCABRO O[C@@H]1COC[C@@H](C[NH2+]Cc2ccc(Cn3cccn3)cc2)[C@@H]1O ZINC000585286610 396646600 /nfs/dbraw/zinc/64/66/00/396646600.db2.gz NIQSSRHTKCMGJE-ZACQAIPSSA-N 1 0 317.389 0.389 40 0 DCABRO CO[C@H]1[C@H](C(=O)N(C)C)CC[C@H]1N(C)C(=O)/C=C/C[NH+](C)C ZINC000585290676 396647713 /nfs/dbraw/zinc/64/77/13/396647713.db2.gz ZZJRGNKRQFIGKL-OIAKAOIGSA-N 1 0 311.426 0.444 40 0 DCABRO CCC[NH2+]C[C@@]1(O)CCN(C(=O)Cc2ccccc2)C[C@@H]1O ZINC000585289062 396647797 /nfs/dbraw/zinc/64/77/97/396647797.db2.gz CQNHCCIRRCICOF-RDJZCZTQSA-N 1 0 306.406 0.553 40 0 DCABRO C[N@@H+]1C[C@@H](COCC2CC2)[C@]2(CCN(C(=O)C3CC(O)C3)C2)C1 ZINC000585102686 396639085 /nfs/dbraw/zinc/63/90/85/396639085.db2.gz FYGHOSNPIQWDJI-VLWBHCEFSA-N 1 0 322.449 0.964 40 0 DCABRO O=C(N[C@H]1C[N@H+](C[C@H]2CCOC2)[C@@H]2CCCO[C@@H]21)c1ccno1 ZINC000096186900 415576101 /nfs/dbraw/zinc/57/61/01/415576101.db2.gz UPZYMIGPFFCLMH-QVHKTLOISA-N 1 0 321.377 0.673 40 0 DCABRO Cn1cc(C[N@@H+]2C[C@H]3OCC[C@H]3[C@H](C(=O)N3CCCC3)C2)cn1 ZINC000096038863 415573317 /nfs/dbraw/zinc/57/33/17/415573317.db2.gz ZUHJMEDGILAKIA-ARFHVFGLSA-N 1 0 318.421 0.879 40 0 DCABRO Cn1cc(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)NC4CC4)[C@H]3C2)cn1 ZINC000096043471 415573588 /nfs/dbraw/zinc/57/35/88/415573588.db2.gz YWQITGQFPGOVQH-BZUAXINKSA-N 1 0 318.421 0.926 40 0 DCABRO CC(C)Cn1nc2n(c(=O)c1=O)C[C@H]1CC[N@H+](C(C)C)C[C@H]21 ZINC000306125818 416104133 /nfs/dbraw/zinc/10/41/33/416104133.db2.gz DCYQOTMIQJZATB-OLZOCXBDSA-N 1 0 306.410 0.889 40 0 DCABRO O=C(NC1CC1)c1nnc2n1C[C@@H]1C[N@H+](C3CCC3)C[C@@H]1C2 ZINC000306143241 416104513 /nfs/dbraw/zinc/10/45/13/416104513.db2.gz XWYCYEUNLVRCCM-QWRGUYRKSA-N 1 0 301.394 0.827 40 0 DCABRO CN(C)C(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[NH2+]C2 ZINC000306128403 416104852 /nfs/dbraw/zinc/10/48/52/416104852.db2.gz GZMSFWLRSJVJBE-HNNXBMFYSA-N 1 0 303.366 0.144 40 0 DCABRO COc1ccccc1OCC(=O)N1CC2(C1)C[C@H](CO)C[N@@H+]2C ZINC000585093935 416517666 /nfs/dbraw/zinc/51/76/66/416517666.db2.gz QKHRQFFWKAUZKX-ZDUSSCGKSA-N 1 0 320.389 0.599 40 0 DCABRO CN(C(=O)c1cnccn1)[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257337996 288926893 /nfs/dbraw/zinc/92/68/93/288926893.db2.gz YVJHIIHWZOQWDU-RBSFLKMASA-N 1 0 304.394 0.926 40 0 DCABRO COC[C@H]1CC2(C[N@@H+]1CC(=O)N(C)C)CCN(C(C)=O)CC2 ZINC000096207706 293190123 /nfs/dbraw/zinc/19/01/23/293190123.db2.gz OWLGCPHSSHGVRQ-CQSZACIVSA-N 1 0 311.426 0.424 40 0 DCABRO Cc1cnn([C@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH2+]Cc3cccnc3)[C@@H]2O)c1 ZINC000952844915 768909547 /nfs/dbraw/zinc/90/95/47/768909547.db2.gz SQRRSSRNOOSDDE-DGXTUMSLSA-N 1 0 316.361 0.402 40 0 biogenic,in-vitro DCABRO C[N@H+]1C[C@@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@H]2C1 ZINC000306132884 529824009 /nfs/dbraw/zinc/82/40/09/529824009.db2.gz LVHGSUGMPDSOCQ-UONOGXRCSA-N 1 0 311.389 0.942 40 0 DCABRO C[C@@H](C(=O)NCC[NH+](C)C)N(c1ccccc1)S(C)(=O)=O ZINC000010111572 295777628 /nfs/dbraw/zinc/77/76/28/295777628.db2.gz HHBHYXWSIOZPCT-LBPRGKRZSA-N 1 0 313.423 0.519 40 0 DCABRO C[NH+](C)CCCNS(=O)(=O)c1cnn(-c2ccccn2)c1 ZINC000072238981 191082258 /nfs/dbraw/zinc/08/22/58/191082258.db2.gz ATXSIANDXLUUFT-UHFFFAOYSA-N 1 0 309.395 0.497 40 0 DCABRO Cc1ccc(=O)n(CC(=O)N2CCC[C@]3(C)[NH2+]CCC[C@@H]23)n1 ZINC000257246916 202978899 /nfs/dbraw/zinc/97/88/99/202978899.db2.gz IWMYGRRXQLHFJS-CJNGLKHVSA-N 1 0 304.394 0.685 40 0 DCABRO [NH3+]C1(C(=O)N2CCOC[C@@H](Cc3ccncn3)C2)CCCC1 ZINC000257337108 203057934 /nfs/dbraw/zinc/05/79/34/203057934.db2.gz YRKORMIVGWOCQU-ZDUSSCGKSA-N 1 0 304.394 0.766 40 0 DCABRO O=C(c1ccccc1)N1CCC([NH+]2CCN(CCO)CC2)CC1 ZINC000022031812 182305925 /nfs/dbraw/zinc/30/59/25/182305925.db2.gz PIKQPNRLNXZXTG-UHFFFAOYSA-N 1 0 317.433 0.901 40 0 DCABRO O=S(=O)(N1CCOCC1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257200771 285039589 /nfs/dbraw/zinc/03/95/89/285039589.db2.gz AEUXTMQIDPQQAC-AWEZNQCLSA-N 1 0 311.407 0.210 40 0 DCABRO C[NH2+][C@H]1CC2(CCN(C(=O)c3cccn3C)CC2)OC[C@]1(C)O ZINC000257281372 256621530 /nfs/dbraw/zinc/62/15/30/256621530.db2.gz OOWSEIKLUVZJRX-HOCLYGCPSA-N 1 0 321.421 0.759 40 0 DCABRO COc1ccc(-c2nnc(CN3CC[NH2+]CC3)[nH]2)cc1OC ZINC000064875480 257127806 /nfs/dbraw/zinc/12/78/06/257127806.db2.gz FEQBZOVUAPOEOU-UHFFFAOYSA-N 1 0 303.366 0.894 40 0 DCABRO CS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@]1([NH3+])CO ZINC000218195388 257130859 /nfs/dbraw/zinc/13/08/59/257130859.db2.gz QCSIBHHRBPDCHR-AXFHLTTASA-N 1 0 320.208 0.649 40 0 DCABRO [NH3+][C@H](Cc1ccccc1)c1nnc(CCN2CCOCC2)[nH]1 ZINC000095534875 257136528 /nfs/dbraw/zinc/13/65/28/257136528.db2.gz FVCUBPHMKFMURA-CQSZACIVSA-N 1 0 301.394 0.922 40 0 DCABRO C[NH2+]Cc1cc(N(C)C)nc([C@@H]2CCCN2C(=O)COC)n1 ZINC000019760791 395691197 /nfs/dbraw/zinc/69/11/97/395691197.db2.gz SBCQMZBQAJRZSB-LBPRGKRZSA-N 1 0 307.398 0.572 40 0 DCABRO CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@]21c2ccccc2NC1=O ZINC000033821665 395717613 /nfs/dbraw/zinc/71/76/13/395717613.db2.gz DCRBRVDUGWUHLR-KOFHJDLBSA-N 1 0 311.341 0.543 40 0 DCABRO [NH3+]CCCCC(=O)N1CCOCCOCCOCCOCC1 ZINC000039988492 395733016 /nfs/dbraw/zinc/73/30/16/395733016.db2.gz UWZPLDWYJHQMPP-UHFFFAOYSA-N 1 0 318.414 0.024 40 0 DCABRO COc1ncccc1C[NH+]1CCC2(CC1)CN(C)C(=O)CO2 ZINC000096201342 395748805 /nfs/dbraw/zinc/74/88/05/395748805.db2.gz PUHLEDLYTNIOHC-UHFFFAOYSA-N 1 0 305.378 0.913 40 0 DCABRO Cn1cc(CN2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cn1 ZINC000096183362 395747249 /nfs/dbraw/zinc/74/72/49/395747249.db2.gz BDOKEOIAYFGAGM-LSDHHAIUSA-N 1 0 314.393 0.548 40 0 DCABRO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCOC2)[C@@H]2CCCO[C@H]12)c1ccno1 ZINC000096185947 395747999 /nfs/dbraw/zinc/74/79/99/395747999.db2.gz UPZYMIGPFFCLMH-KYEXWDHISA-N 1 0 321.377 0.673 40 0 DCABRO COCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cnn(C)c1)C2 ZINC000096071646 395743452 /nfs/dbraw/zinc/74/34/52/395743452.db2.gz UGXKQMRHCLYDBF-INIZCTEOSA-N 1 0 306.410 0.881 40 0 DCABRO COCC(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1ccncc1)C2 ZINC000096108400 395745174 /nfs/dbraw/zinc/74/51/74/395745174.db2.gz VMOPLOUCJHNTKQ-ZBFHGGJFSA-N 1 0 305.378 0.293 40 0 DCABRO CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CC[NH2+]CC3)C1=O ZINC000096144128 395746290 /nfs/dbraw/zinc/74/62/90/395746290.db2.gz AKRCDNAKWBHOEV-MRXNPFEDSA-N 1 0 308.426 0.592 40 0 DCABRO CN(C)CC[N@@H+]1CC[C@H]2CN(C(=O)c3cccn3C)C[C@H]2C1 ZINC000096246106 395751448 /nfs/dbraw/zinc/75/14/48/395751448.db2.gz AFBPKJJMPSVPKQ-LSDHHAIUSA-N 1 0 304.438 0.981 40 0 DCABRO COC[C@@]1(C[NH3+])[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(C)(=O)=O ZINC000218133588 395841617 /nfs/dbraw/zinc/84/16/17/395841617.db2.gz FZKSKURBGOAIMN-RDBSUJKOSA-N 1 0 313.375 0.517 40 0 DCABRO CN(C)C(=O)CO[C@@H]1CSC2(CN(Cc3cnn(C)c3)C2)C1 ZINC000248034865 395981593 /nfs/dbraw/zinc/98/15/93/395981593.db2.gz UNPVDADBBFBNIZ-ZDUSSCGKSA-N 1 0 324.450 0.585 40 0 DCABRO CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccc3[nH]ccc3c2)C[C@H]1O ZINC000257206425 396036992 /nfs/dbraw/zinc/03/69/92/396036992.db2.gz BDJAEXQTMJVAMV-IAGOWNOFSA-N 1 0 317.389 0.602 40 0 DCABRO Cn1c2ccccc2nc1CN1CC[N@H+](C)C[C@H](C(N)=O)C1 ZINC000257211286 396037959 /nfs/dbraw/zinc/03/79/59/396037959.db2.gz BYHJGSBVHZIVAU-LBPRGKRZSA-N 1 0 301.394 0.422 40 0 DCABRO C[NH+](C)[C@H]1CC2(CCN(C(=O)c3cc[nH]n3)CC2)OC[C@]1(C)O ZINC000257250555 396043767 /nfs/dbraw/zinc/04/37/67/396043767.db2.gz JMZNNUGUTWBKQC-ZFWWWQNUSA-N 1 0 322.409 0.486 40 0 DCABRO Cn1ccnc1C(=O)N1CCO[C@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257269029 396046188 /nfs/dbraw/zinc/04/61/88/396046188.db2.gz MOGQNMVMTTYLKS-CYBMUJFWSA-N 1 0 315.377 0.871 40 0 DCABRO Cc1cccc(OC[C@]2(O)COCCN(C(=O)CC[NH3+])C2)c1 ZINC000585269431 396643172 /nfs/dbraw/zinc/64/31/72/396643172.db2.gz UGBSDNXJCQHZQR-MRXNPFEDSA-N 1 0 308.378 0.313 40 0 DCABRO CO[C@@H]1COC[C@@H](CNC(=O)CC[NH+]2CCC(C)CC2)[C@@H]1O ZINC000585284209 396646031 /nfs/dbraw/zinc/64/60/31/396646031.db2.gz GFIGROQPAHCNTJ-FMKPAKJESA-N 1 0 314.426 0.247 40 0 DCABRO CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1OCC(=O)N[C@@H]1c1ccccc1 ZINC000585283650 396646150 /nfs/dbraw/zinc/64/61/50/396646150.db2.gz CKIMVXPPLQTJPO-IJEWVQPXSA-N 1 0 319.405 0.876 40 0 DCABRO CN(C(=O)/C=C/c1ccnn1C)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000585288845 396647818 /nfs/dbraw/zinc/64/78/18/396647818.db2.gz AXAKMNLCZLLMTK-XDIASTCQSA-N 1 0 318.421 0.879 40 0 DCABRO O[C@@H]1COC[C@@H](N2CC[NH+](CCCc3ccccc3)CC2)[C@@H]1O ZINC000585291707 396648112 /nfs/dbraw/zinc/64/81/12/396648112.db2.gz RXPNJOUASSAFCS-KURKYZTESA-N 1 0 320.433 0.357 40 0 DCABRO Cn1ccc(C(=O)N2Cc3ccnn3CC[C@@H]2C[NH+](C)C)n1 ZINC000585097398 396638511 /nfs/dbraw/zinc/63/85/11/396638511.db2.gz KYUVSQLSEXSTAI-GFCCVEGCSA-N 1 0 302.382 0.593 40 0 DCABRO CC(C)C[N@@H+]1CCC[C@@]2(CN(CCS(C)(=O)=O)C2=O)C1 ZINC000585099658 396639379 /nfs/dbraw/zinc/63/93/79/396639379.db2.gz VBDNHOATOFKLEW-AWEZNQCLSA-N 1 0 302.440 0.611 40 0 DCABRO CCCNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]C(C)C)[C@@H](O)[C@H]2O1 ZINC000604381966 397638964 /nfs/dbraw/zinc/63/89/64/397638964.db2.gz WYSZIVGYFGTNSP-PRSHDEELSA-N 1 0 300.399 0.187 40 0 biogenic,in-vitro DCABRO O=C(Nc1ccc2n(c1=O)C[C@@H]1C[NH2+]C[C@H]2C1)c1cnccn1 ZINC000005414945 415133611 /nfs/dbraw/zinc/13/36/11/415133611.db2.gz LQOWXFYRZUKQDD-WDEREUQCSA-N 1 0 311.345 0.597 40 0 biogenic,in-vitro DCABRO CCN1C[C@@]2(CC1=O)CN(C(=O)N(C)C)CC[N@H+](CC1CC1)C2 ZINC000096036237 415571355 /nfs/dbraw/zinc/57/13/55/415571355.db2.gz BOGAZACDONXBEE-KRWDZBQOSA-N 1 0 322.453 0.934 40 0 DCABRO CC(C)NC(=O)N1CC[N@H+](CC2CC2)C[C@]2(CNC(=O)C2)C1 ZINC000096036019 415572732 /nfs/dbraw/zinc/57/27/32/415572732.db2.gz CABWFQYGGOWNTJ-INIZCTEOSA-N 1 0 308.426 0.638 40 0 DCABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[NH2+]C[C@H]2C3)cc1 ZINC000306134714 416104341 /nfs/dbraw/zinc/10/43/41/416104341.db2.gz NVVDWAXGKYUTEX-MNOVXSKESA-N 1 0 313.361 0.931 40 0 DCABRO O=C(C[NH+]1CCCCC1)NC[C@]1(O)CCN(c2cnccn2)C1 ZINC000257333902 416335250 /nfs/dbraw/zinc/33/52/50/416335250.db2.gz YDPOSEMHPHEFSS-MRXNPFEDSA-N 1 0 319.409 0.020 40 0 DCABRO CNC(=O)[C@@H]1CN(S(=O)(=O)C2CCCCC2)CC[N@H+](C)C1 ZINC000257329445 416335394 /nfs/dbraw/zinc/33/53/94/416335394.db2.gz XKAKQYSTENQWQQ-LBPRGKRZSA-N 1 0 317.455 0.259 40 0 DCABRO CNC(=O)[C@H]1CN(C(=O)C2CCC(F)(F)CC2)CC[N@H+](C)C1 ZINC000257256954 277245463 /nfs/dbraw/zinc/24/54/63/277245463.db2.gz KNNKIVDGYQTDDE-GFCCVEGCSA-N 1 0 317.380 0.948 40 0 DCABRO Cc1cc(C)n(CC(=O)N(C)[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)n1 ZINC000257273008 278677790 /nfs/dbraw/zinc/67/77/90/278677790.db2.gz NEWUQYCMIBTAKB-BFYDXBDKSA-N 1 0 320.437 0.946 40 0 DCABRO CN(C)C(=O)c1cnn(CC2CC[NH+]([C@H]3COC[C@@H]3O)CC2)c1 ZINC000257267814 289035014 /nfs/dbraw/zinc/03/50/14/289035014.db2.gz MIWZKQYULJKJBN-GJZGRUSLSA-N 1 0 322.409 0.057 40 0 DCABRO O=C1NC(=O)[C@@H]2[C@@H]1[C@@H]1CCCC[N@@H+]1[C@]21C(=O)Nc2ccccc21 ZINC000247947204 1183329473 /nfs/dbraw/zinc/32/94/73/1183329473.db2.gz RIMRKBFTWVRAFJ-MRHIQRDNSA-N 1 0 311.341 0.591 40 0 DCABRO COCCNc1ccc(C[C@@H]2CCCN(C(=O)C[NH3+])C2)nn1 ZINC000072387253 191144940 /nfs/dbraw/zinc/14/49/40/191144940.db2.gz MJNMFFJEMHMEHD-LBPRGKRZSA-N 1 0 307.398 0.275 40 0 DCABRO COc1cccc(S(=O)(=O)N2CC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000257276431 203004162 /nfs/dbraw/zinc/00/41/62/203004162.db2.gz NTSVOLFVRSPDEO-CQSZACIVSA-N 1 0 314.407 0.382 40 0 DCABRO CS(=O)(=O)N1CCC(c2nnc([C@@H]3CCC[NH2+]C3)o2)CC1 ZINC000257305751 203029222 /nfs/dbraw/zinc/02/92/22/203029222.db2.gz SRJIBEHNAWODJL-LLVKDONJSA-N 1 0 314.411 0.676 40 0 DCABRO C[C@@]1(O)CC[N@@H+](C2CCOCC2)C[C@H]1n1ccc(=O)[nH]c1=O ZINC000257288860 203015071 /nfs/dbraw/zinc/01/50/71/203015071.db2.gz PVZUAEJOXPVRBQ-IUODEOHRSA-N 1 0 309.366 0.126 40 0 DCABRO Cc1cc(N2CC[N@@H+](C3CCOCC3)C[C@H](C(N)=O)C2)ncn1 ZINC000257328743 203052308 /nfs/dbraw/zinc/05/23/08/203052308.db2.gz XGXIVLPZBSTEBW-ZDUSSCGKSA-N 1 0 319.409 0.188 40 0 DCABRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC000257322317 203047012 /nfs/dbraw/zinc/04/70/12/203047012.db2.gz WFLRZYJXJSRGGG-INIZCTEOSA-N 1 0 306.410 0.817 40 0 DCABRO 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/nfs/dbraw/zinc/04/60/09/203046009.db2.gz WADDMIHMQJJYTG-MRXNPFEDSA-N 1 0 306.362 0.596 40 0 DCABRO COCC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+](C)C ZINC000257322803 203047925 /nfs/dbraw/zinc/04/79/25/203047925.db2.gz WHLMHRVRYAOENI-VDERGJSUSA-N 1 0 308.378 0.260 40 0 DCABRO Cn1ccc(C(=O)N2CCC[C@]3(C[C@@H](C[NH+](C)C)CO3)C2)n1 ZINC000096075481 193524730 /nfs/dbraw/zinc/52/47/30/193524730.db2.gz NGTAPJXIUFBEOZ-BBRMVZONSA-N 1 0 306.410 0.993 40 0 DCABRO CC(C)[NH2+]C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCc2ccccc2C1 ZINC000020465255 182220798 /nfs/dbraw/zinc/22/07/98/182220798.db2.gz SVLFYSPSFFLISH-VSZNYVQBSA-N 1 0 320.433 0.532 40 0 biogenic,in-vitro DCABRO COC(=O)c1ccc(OC[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000022872442 182338700 /nfs/dbraw/zinc/33/87/00/182338700.db2.gz PRPMDVNCCWZAEX-CQSZACIVSA-N 1 0 308.378 0.460 40 0 DCABRO O=S1(=O)C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)[C@H](O)C1 ZINC000022921570 182341195 /nfs/dbraw/zinc/34/11/95/182341195.db2.gz NZYRXLCDZBUGLI-QLFBSQMISA-N 1 0 310.419 0.008 40 0 DCABRO [NH3+]CCCCCCNC(=S)NC[C@H]1CCS(=O)(=O)C1 ZINC000040167868 183043540 /nfs/dbraw/zinc/04/35/40/183043540.db2.gz OQIOJJUDYGSEPQ-LLVKDONJSA-N 1 0 307.485 0.404 40 0 DCABRO O[C@H]1[C@H](CN2CCOCC2)OC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000514288587 257215928 /nfs/dbraw/zinc/21/59/28/257215928.db2.gz INCATQQCKTUTSA-MELADBBJSA-N 1 0 320.380 0.614 40 0 biogenic,in-vitro DCABRO C[NH+]1CCN(CCCNC(=O)c2noc3c2CCCC3)CC1 ZINC000036620540 395723867 /nfs/dbraw/zinc/72/38/67/395723867.db2.gz QILONNHNACCBJP-UHFFFAOYSA-N 1 0 306.410 0.921 40 0 DCABRO O=C(c1cnccn1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2C1 ZINC000096182341 395747094 /nfs/dbraw/zinc/74/70/94/395747094.db2.gz RPGWFLGICCJRRD-MELADBBJSA-N 1 0 302.378 0.517 40 0 DCABRO O=C(c1cnccn1)N1C[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2C1 ZINC000096182344 395747187 /nfs/dbraw/zinc/74/71/87/395747187.db2.gz RPGWFLGICCJRRD-MCIONIFRSA-N 1 0 302.378 0.517 40 0 DCABRO COCCO[C@@H]1C[C@H]2CN(C(=O)Cc3ccccn3)CC[N@@H+]2C1 ZINC000096183209 395747204 /nfs/dbraw/zinc/74/72/04/395747204.db2.gz NJJOBSGHUOUPKR-JKSUJKDBSA-N 1 0 319.405 0.572 40 0 DCABRO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CC[N@@H+]3C2CCOCC2)cn1 ZINC000096184562 395747213 /nfs/dbraw/zinc/74/72/13/395747213.db2.gz GCDOTHKISKEGRC-CABCVRRESA-N 1 0 304.394 0.888 40 0 DCABRO COCC[N@@H+]1CC[C@H]2O[C@@H](C(=O)NCc3cccnc3)CC[C@H]21 ZINC000096065522 395742758 /nfs/dbraw/zinc/74/27/58/395742758.db2.gz KUQGLJHNTFBLMQ-BZUAXINKSA-N 1 0 319.405 0.966 40 0 DCABRO COCC(=O)NCc1cc(=O)n2c(n1)C[N@@H+](CC1CC1)CCC2 ZINC000096197630 395748982 /nfs/dbraw/zinc/74/89/82/395748982.db2.gz FOOCGGVNAOBMQD-UHFFFAOYSA-N 1 0 320.393 0.122 40 0 DCABRO COCCNC(=O)[C@H]1C[N@H+](Cc2ncccc2C)[C@@H]2CCO[C@@H]21 ZINC000108527763 395790605 /nfs/dbraw/zinc/79/06/05/395790605.db2.gz XGYVLCYQVBWRMT-NUEKZKHPSA-N 1 0 319.405 0.742 40 0 DCABRO COCc1c(C)onc1C(=O)N[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257199883 396035863 /nfs/dbraw/zinc/03/58/63/396035863.db2.gz ABDHIQSATSKALP-UMVBOHGHSA-N 1 0 323.393 0.847 40 0 DCABRO CNC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2cncnc2)c1 ZINC000257242612 396042788 /nfs/dbraw/zinc/04/27/88/396042788.db2.gz IDHYXAUNYAYICB-INIZCTEOSA-N 1 0 311.389 0.983 40 0 DCABRO CS(=O)(=O)N1CCC[C@@]12CC[N@@H+](C1CCCC1)C[C@@H]2O ZINC000257250829 396043397 /nfs/dbraw/zinc/04/33/97/396043397.db2.gz JODSFCVKTIZWRB-KBPBESRZSA-N 1 0 302.440 0.790 40 0 DCABRO CO[C@@H]1CC[C@@H](NC(=O)CC[N@H+](C)Cc2ccccn2)[C@H]1O ZINC000257257095 396044719 /nfs/dbraw/zinc/04/47/19/396044719.db2.gz KOCCREMJJVCUBI-IIAWOOMASA-N 1 0 307.394 0.558 40 0 DCABRO O=C(NC[C@H]1OC[C@@H]([NH2+]C2CCOCC2)[C@@H]1O)C1CCCC1 ZINC000077264013 396216270 /nfs/dbraw/zinc/21/62/70/396216270.db2.gz HUSODUJTSDCKDK-KFWWJZLASA-N 1 0 312.410 0.190 40 0 biogenic,in-vitro DCABRO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O ZINC000585290986 396648574 /nfs/dbraw/zinc/64/85/74/396648574.db2.gz YTRUOWLVFASJRM-ZFWWWQNUSA-N 1 0 312.797 0.840 40 0 DCABRO CC(C)NC(=O)c1cn2c(n1)[C@@H](C)N(C(=O)CC[NH+](C)C)CC2 ZINC000585096494 396638397 /nfs/dbraw/zinc/63/83/97/396638397.db2.gz QHBOCBYPNIKOCX-GFCCVEGCSA-N 1 0 321.425 0.876 40 0 DCABRO COCC[N@@H+]1CCOC[C@]2(CC(=O)N(c3ccncn3)C2)C1 ZINC000585104076 396639098 /nfs/dbraw/zinc/63/90/98/396639098.db2.gz IKBDUHFNTFCPKW-OAHLLOKOSA-N 1 0 306.366 0.178 40 0 DCABRO CC[N@@H+]1CCO[C@@H]2CN(C(=O)Cc3ccn(C)n3)CC[C@@H]2C1 ZINC000585108009 396640062 /nfs/dbraw/zinc/64/00/62/396640062.db2.gz UXPZPISIEHHKOB-UKRRQHHQSA-N 1 0 306.410 0.532 40 0 DCABRO COCCc1nccc(C[C@H]2[C@H]([NH+](C)C)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382192 397639066 /nfs/dbraw/zinc/63/90/66/397639066.db2.gz JSGVYQKUWFZZAT-KBUPBQIOSA-N 1 0 309.410 0.128 40 0 biogenic,in-vitro DCABRO COc1ccc(Cn2cc(C(=O)NCC[NH+](C)C)nn2)cc1 ZINC000072341626 415414712 /nfs/dbraw/zinc/41/47/12/415414712.db2.gz DFVWLLAGEBCMJV-UHFFFAOYSA-N 1 0 303.366 0.626 40 0 DCABRO COC[C@H]1CC2(C[N@@H+]1C)CCN(S(=O)(=O)N(C)C)CC2 ZINC000096208621 415574926 /nfs/dbraw/zinc/57/49/26/415574926.db2.gz AKRQAKKPCKJJPZ-GFCCVEGCSA-N 1 0 305.444 0.226 40 0 DCABRO Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CC[N@@H+](C)C1 ZINC000096244585 415575946 /nfs/dbraw/zinc/57/59/46/415575946.db2.gz FSQRQWDDUPLMIZ-INIZCTEOSA-N 1 0 304.394 0.725 40 0 DCABRO Cn1cc(C[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)NCC3CC3)C2)cn1 ZINC000096041118 415570889 /nfs/dbraw/zinc/57/08/89/415570889.db2.gz ICVGMKJWFVLHCY-HRCADAONSA-N 1 0 318.421 0.783 40 0 DCABRO Cn1cc(C[N@@H+]2C[C@H]3OCC[C@H]3[C@H](C(=O)NCC3CC3)C2)cn1 ZINC000096038848 415571606 /nfs/dbraw/zinc/57/16/06/415571606.db2.gz ICVGMKJWFVLHCY-ARFHVFGLSA-N 1 0 318.421 0.783 40 0 DCABRO COCCOC[C@]1(C[NH2+]Cc2cccnc2)C[C@@H](O)[C@@H](O)C1 ZINC000107283911 415662135 /nfs/dbraw/zinc/66/21/35/415662135.db2.gz BBOAVWUIKLDNQF-MUJYYYPQSA-N 1 0 310.394 0.336 40 0 biogenic,in-vitro DCABRO CN1C[C@]2(CO[C@H](C(=O)NCC[NH+](C)C)C2)c2ccccc21 ZINC000107275425 415664751 /nfs/dbraw/zinc/66/47/51/415664751.db2.gz GKQWKTVFGSJBKW-DOTOQJQBSA-N 1 0 303.406 0.841 40 0 DCABRO O=C1CO[C@H]2CN(Cc3ccccn3)C[C@@H]2N1C1CCOCC1 ZINC000257237499 416335142 /nfs/dbraw/zinc/33/51/42/416335142.db2.gz HGUJRPRNRBEQPZ-HOTGVXAUSA-N 1 0 317.389 0.672 40 0 DCABRO COc1ccccc1OCC(=O)N1CC2(C1)C[C@@H](CO)C[N@@H+]2C ZINC000585093934 416518483 /nfs/dbraw/zinc/51/84/83/416518483.db2.gz QKHRQFFWKAUZKX-CYBMUJFWSA-N 1 0 320.389 0.599 40 0 DCABRO Cn1cc([C@H]2CC(=O)NC23CC[NH+]([C@H]2CCOC2)CC3)cn1 ZINC000096199830 279349044 /nfs/dbraw/zinc/34/90/44/279349044.db2.gz FPLNFVWQQSMKNE-UONOGXRCSA-N 1 0 304.394 0.647 40 0 DCABRO CNC(=O)[C@@H]1C[C@@H]([NH3+])[C@H](c2ccccc2)N1C(=O)C(F)(F)F ZINC000113385866 290587648 /nfs/dbraw/zinc/58/76/48/290587648.db2.gz QDBUSBYREMIDGE-VWYCJHECSA-N 1 0 315.295 0.964 40 0 DCABRO CS(=O)(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2CC[NH+]1CCCC1 ZINC000096064689 295523588 /nfs/dbraw/zinc/52/35/88/295523588.db2.gz YMXNHLVDMZLCFL-STQMWFEESA-N 1 0 315.439 0.107 40 0 DCABRO O[C@@H]1[C@@H](n2cccn2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1cccs1 ZINC000952844673 768908833 /nfs/dbraw/zinc/90/88/33/768908833.db2.gz FULLBSPONYIGLL-XGFWRYKXSA-N 1 0 307.375 0.760 40 0 biogenic,in-vitro DCABRO O[C@@H]1[C@@H](n2cccn2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccccc1F ZINC000952844905 768909764 /nfs/dbraw/zinc/90/97/64/768909764.db2.gz RXZQYLLURACWGT-DGXTUMSLSA-N 1 0 319.336 0.838 40 0 biogenic,in-vitro DCABRO Cc1noc(C)c1C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cccn2)[C@H]1O ZINC000952844984 768909894 /nfs/dbraw/zinc/90/98/94/768909894.db2.gz XIPUWDAAXLDYRV-ARILJUKYSA-N 1 0 320.349 0.303 40 0 biogenic,in-vitro DCABRO O=C(CC1[NH2+]CCC[C@@H]1O)Cn1cnc2ccccc2c1=O ZINC001560406176 1012449598 /nfs/dbraw/zinc/44/95/98/1012449598.db2.gz LOHBBRZELLPHQT-HNNXBMFYSA-N 1 0 300.338 0.632 40 0 DCABRO COCC(=O)N1CCC2(C[C@@H](CN3CC[NH+](C)CC3)O2)CC1 ZINC000306139663 231089849 /nfs/dbraw/zinc/08/98/49/231089849.db2.gz TWVAASASDJPFTB-AWEZNQCLSA-N 1 0 311.426 0.030 40 0 DCABRO CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCC[N@@H+]1CCO ZINC000072379395 191141020 /nfs/dbraw/zinc/14/10/20/191141020.db2.gz DRCWLCVAAYUHSA-GFCCVEGCSA-N 1 0 303.366 0.560 40 0 DCABRO Cn1cnc(S(=O)(=O)N2CCCC[C@@H]2CC[NH+](C)C)c1 ZINC000257252134 202984410 /nfs/dbraw/zinc/98/44/10/202984410.db2.gz JTRBPPOHEYTLTI-GFCCVEGCSA-N 1 0 300.428 0.915 40 0 DCABRO CNC(=O)[C@@H]1CN(C(=O)CCc2cccs2)CC[N@H+](C)C1 ZINC000257301736 203024876 /nfs/dbraw/zinc/02/48/76/203024876.db2.gz RZSVGLAFHPBZMU-LBPRGKRZSA-N 1 0 309.435 0.817 40 0 DCABRO O=C(CO)N1CCC[C@@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257288842 203015054 /nfs/dbraw/zinc/01/50/54/203015054.db2.gz PVYKZQLDIXOZMM-ZDUSSCGKSA-N 1 0 306.353 0.453 40 0 DCABRO COc1ccccc1CC(=O)N1CC[N@@H+](C(C)C)C[C@@H]1C(N)=O ZINC000257330315 203052414 /nfs/dbraw/zinc/05/24/14/203052414.db2.gz XNVYZWAAGBCHTE-CQSZACIVSA-N 1 0 319.405 0.644 40 0 DCABRO C[NH2+][C@@H]1CO[C@@H]2CCN(C(=O)c3cc(C)no3)C[C@@H]2C[C@@]1(C)O ZINC000257321531 203044730 /nfs/dbraw/zinc/04/47/30/203044730.db2.gz WCBHZIKOPRQMKP-KLZCAUPSSA-N 1 0 323.393 0.573 40 0 DCABRO CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1NC(=O)c1ccc(OC(C)C)cc1 ZINC000257341558 203061889 /nfs/dbraw/zinc/06/18/89/203061889.db2.gz ZKWUQNFHAUUGHY-CABCVRRESA-N 1 0 319.405 0.880 40 0 DCABRO O=C(CCCn1ccnc1)N[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257343327 203063908 /nfs/dbraw/zinc/06/39/08/203063908.db2.gz ZSLBMISWQXNLEP-IIAWOOMASA-N 1 0 306.410 0.767 40 0 DCABRO COC(=O)[C@H]1C(=O)[C@@H](C(=O)OC)[C@@H]2CCCC3CCC[C@@H]1[N@H+]32 ZINC000017174857 284311836 /nfs/dbraw/zinc/31/18/36/284311836.db2.gz PUSOSPKVIFCHMP-LGNXWEDYSA-N 1 0 309.362 0.923 40 0 DCABRO CC(C)C(=O)N1CC[C@@H](c2nn(CC[NH3+])c3nccnc23)C1 ZINC000019085127 182104703 /nfs/dbraw/zinc/10/47/03/182104703.db2.gz GASQKCDFSSXBCK-LLVKDONJSA-N 1 0 302.382 0.757 40 0 DCABRO CCn1cc(-c2cncn2CC[NH2+][C@@H]2CCS(=O)(=O)C2)cn1 ZINC000019719595 182138312 /nfs/dbraw/zinc/13/83/12/182138312.db2.gz LRGNQHRZDWILTF-CYBMUJFWSA-N 1 0 323.422 0.543 40 0 DCABRO COc1ccc2c(c1OC)C(=O)O[C@@H]2NCCN1CC[NH2+]CC1 ZINC000020227229 182199702 /nfs/dbraw/zinc/19/97/02/182199702.db2.gz RXGYTNMLKFQHHU-HNNXBMFYSA-N 1 0 321.377 0.368 40 0 DCABRO [NH3+][C@@H](Cc1ccccc1)c1nnc(CCN2CCOCC2)[nH]1 ZINC000095534874 257136714 /nfs/dbraw/zinc/13/67/14/257136714.db2.gz FVCUBPHMKFMURA-AWEZNQCLSA-N 1 0 301.394 0.922 40 0 DCABRO CN1CC2(C1)CN(C(=O)Cc1ccccc1)C[C@H]1C[C@@H](O)C[N@H+]12 ZINC000514290235 257215561 /nfs/dbraw/zinc/21/55/61/257215561.db2.gz VJIQHFWVSHLHHM-HZPDHXFCSA-N 1 0 315.417 0.191 40 0 biogenic,in-vitro DCABRO CC[N@@H+]1CCOC[C@@]2(CCCN(S(=O)(=O)C3CC3)C2)C1 ZINC000096049618 285349125 /nfs/dbraw/zinc/34/91/25/285349125.db2.gz MRKCIGHXJGRULO-AWEZNQCLSA-N 1 0 302.440 0.913 40 0 DCABRO Cn1cc(C[C@H]2[C@H]([NH+](C)C)CCN2C(=O)c2cnccn2)cn1 ZINC000096200910 395748741 /nfs/dbraw/zinc/74/87/41/395748741.db2.gz JQZHAGQQFFFIIE-CABCVRRESA-N 1 0 314.393 0.598 40 0 DCABRO CNC(=O)[C@@]12CCC3(CCN(C(=O)COC)CC3)[C@@H]1C[N@H+](C)C2 ZINC000096262410 395752435 /nfs/dbraw/zinc/75/24/35/395752435.db2.gz HNWQPCGVEBZUMB-SUMWQHHRSA-N 1 0 323.437 0.329 40 0 DCABRO CNC(=O)C[NH+]1CCC2(CCCN(c3cnccn3)C2)CC1 ZINC000096217489 395749950 /nfs/dbraw/zinc/74/99/50/395749950.db2.gz DMUBANVQHOFRID-UHFFFAOYSA-N 1 0 303.410 0.905 40 0 DCABRO CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257218250 396038568 /nfs/dbraw/zinc/03/85/68/396038568.db2.gz DCJWFJKXYLDZOB-ZBFHGGJFSA-N 1 0 309.410 0.057 40 0 DCABRO CC[N@H+](Cc1ccncc1)[C@@H]1CN(C(=O)c2cnco2)C[C@H]1O ZINC000257248022 396043667 /nfs/dbraw/zinc/04/36/67/396043667.db2.gz JBRXCYVXCIIMOH-ZIAGYGMSSA-N 1 0 316.361 0.777 40 0 DCABRO COc1ccc(C(=O)N2CC[N@H+](C)C[C@H](C(N)=O)C2)cc1F ZINC000257251046 396043861 /nfs/dbraw/zinc/04/38/61/396043861.db2.gz JPEIUNANRPLLED-NSHDSACASA-N 1 0 309.341 0.323 40 0 DCABRO COc1ccc(OCC(=O)N2CC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000257267878 396045561 /nfs/dbraw/zinc/04/55/61/396045561.db2.gz MJEMDBHGENMODN-MRXNPFEDSA-N 1 0 308.378 0.599 40 0 DCABRO CO[C@H]1C[N@H+](Cc2cnccn2)C[C@@H]1CC(=O)N1CCCC1 ZINC000585277383 396643736 /nfs/dbraw/zinc/64/37/36/396643736.db2.gz VSVNBSXJBBWNSO-ZFWWWQNUSA-N 1 0 304.394 0.936 40 0 DCABRO O=C1N(CC2CCCCC2)C[C@]12CCC[N@@H+](C[C@H](O)CO)C2 ZINC000585099496 396639233 /nfs/dbraw/zinc/63/92/33/396639233.db2.gz OQSRXMOFBBNPDD-DOTOQJQBSA-N 1 0 310.438 0.844 40 0 DCABRO Cc1nocc1C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC000585108418 396640000 /nfs/dbraw/zinc/64/00/00/396640000.db2.gz FUYBYBJYWXMMIE-ZIAGYGMSSA-N 1 0 320.393 0.750 40 0 DCABRO CC1(C)CC(NC(=O)C(=O)NC[C@H]2CCCO2)CC(C)(C)[NH2+]1 ZINC000170341675 158374548 /nfs/dbraw/zinc/37/45/48/158374548.db2.gz YJEKNXKNQUIJOB-GFCCVEGCSA-N 1 0 311.426 0.707 40 0 DCABRO CC(=O)N1CCC([N@H+]2C[C@@H]3[C@H](C2)OCC(=O)N3CC2CC2)CC1 ZINC000067897124 415388009 /nfs/dbraw/zinc/38/80/09/415388009.db2.gz UPRBDWMEBHIYEC-CVEARBPZSA-N 1 0 321.421 0.319 40 0 biogenic,in-vitro DCABRO CC(C)[N@@H+]1CCOC[C@]2(CN(Cc3cnn(C)c3)CCO2)C1 ZINC000096049721 415576138 /nfs/dbraw/zinc/57/61/38/415576138.db2.gz NPBXRYUEAQZBOV-INIZCTEOSA-N 1 0 308.426 0.732 40 0 DCABRO C[C@@H](CO)Nc1nc(NCCC2CC[NH2+]CC2)cc(C2CC2)[nH+]1 ZINC000329040229 416146519 /nfs/dbraw/zinc/14/65/19/416146519.db2.gz SBPWZFHCPJQOOD-LBPRGKRZSA-N 1 0 319.453 0.792 40 0 DCABRO O=S(=O)(C1CCCC1)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257332161 416335414 /nfs/dbraw/zinc/33/54/14/416335414.db2.gz XVZUECPBDBLTMP-CQSZACIVSA-N 1 0 302.440 0.791 40 0 DCABRO CN(c1ncccn1)[C@H]1CO[C@@]2(CCN(C(=O)C[NH+](C)C)C2)C1 ZINC000096072876 276755704 /nfs/dbraw/zinc/75/57/04/276755704.db2.gz ZTNGFWUELNRGJV-CJNGLKHVSA-N 1 0 319.409 0.234 40 0 DCABRO CC(=O)N1CC[N@H+](CCC(F)(F)F)C[C@@H](C(=O)N(C)C)C1 ZINC000257304695 278040497 /nfs/dbraw/zinc/04/04/97/278040497.db2.gz SMTHNTQZWVYMOL-LLVKDONJSA-N 1 0 309.332 0.807 40 0 DCABRO C[C@@]1(O)C[N@@H+](C2CCOCC2)CC[C@H]1n1ccc(=O)[nH]c1=O ZINC000257307053 279174275 /nfs/dbraw/zinc/17/42/75/279174275.db2.gz SXACWGRVRSCZKD-IUODEOHRSA-N 1 0 309.366 0.126 40 0 DCABRO C[C@]1(O)CC2(CC[NH2+]CC2)OC[C@@H]1n1cnc2c1ncnc2N ZINC000257293267 280168249 /nfs/dbraw/zinc/16/82/49/280168249.db2.gz QOUDICLYPBEZMA-HZMBPMFUSA-N 1 0 318.381 0.243 40 0 DCABRO CC(C)NC(=O)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1 ZINC000008297957 666743703 /nfs/dbraw/zinc/74/37/03/666743703.db2.gz RVGLVQANUUTYOV-CFVMTHIKSA-N 1 0 321.425 0.048 40 0 biogenic,in-vitro DCABRO