smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(CC)(C[NH3+])C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000161158907 168321161 /nfs/dbraw/zinc/32/11/61/168321161.db2.gz LHBRTVOGKRPPIY-NSHDSACASA-N 2 0 241.379 0.962 20 70 BCIDRP C[NH2+]C[C@H](C)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159392231 345429682 /nfs/dbraw/zinc/42/96/82/345429682.db2.gz GJIGOOXYBKLRIA-JQWIXIFHSA-N 2 0 225.336 0.054 20 70 BCIDRP CC(C)C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159618470 345448583 /nfs/dbraw/zinc/44/85/83/345448583.db2.gz YTZZDIZXNLVLTH-TUAOUCFPSA-N 2 0 239.363 0.713 20 70 BCIDRP [NH3+]CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160165503 345487868 /nfs/dbraw/zinc/48/78/68/345487868.db2.gz YXKGTRTZXJFLRF-PHIMTYICSA-N 2 0 225.336 0.468 20 70 BCIDRP C[C@H]1C[C@H]([NH2+]CCN(C)C)CN1C1CC1 ZINC000160851915 361330864 /nfs/dbraw/zinc/33/08/64/361330864.db2.gz DKVSOSBBUKYKRS-QWRGUYRKSA-N 2 0 211.353 0.763 20 70 BCIDRP CN(CCO)CCC[NH+]1CCCCC1 ZINC000160521871 384418896 /nfs/dbraw/zinc/41/88/96/384418896.db2.gz VVXBIBHNCZVPJE-UHFFFAOYSA-N 2 0 200.326 0.787 20 70 BCIDRP C[C@@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]C1 ZINC000160743144 388086814 /nfs/dbraw/zinc/08/68/14/388086814.db2.gz DLSAFSFBWHYOTE-NTZNESFSSA-N 2 0 237.347 0.339 20 70 BCIDRP CN(C)[C@@H](C(=O)NCCC[NH3+])c1ccccc1 ZINC000160081426 397766209 /nfs/dbraw/zinc/76/62/09/397766209.db2.gz HGTMAAFWNRKTBO-GFCCVEGCSA-N 2 0 235.331 0.754 20 70 BCIDRP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000161348279 323075921 /nfs/dbraw/zinc/07/59/21/323075921.db2.gz SHYRLPRORZAEFD-QWRGUYRKSA-N 2 0 225.336 0.339 20 70 BCIDRP C[NH+](C)CC(=O)NCC1(C)CC[NH2+]CC1 ZINC000159977615 488104534 /nfs/dbraw/zinc/10/45/34/488104534.db2.gz ADIGZAPBAINCIH-UHFFFAOYSA-N 2 0 213.325 0.054 20 70 BCIDRP [NH3+][C@H]1CCC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000161415109 487493439 /nfs/dbraw/zinc/49/34/39/487493439.db2.gz NECALYFIFRQPRB-GUBZILKMSA-N 2 0 211.309 0.125 20 70 BCIDRP CCC(CC)(C[NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC000161158786 168323125 /nfs/dbraw/zinc/32/31/25/168323125.db2.gz DIDKUVXSDDNAOA-VIFPVBQESA-N 2 0 213.325 0.230 20 70 BCIDRP [NH3+][C@H]1CCC[C@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC000160963173 488182637 /nfs/dbraw/zinc/18/26/37/488182637.db2.gz RWLDOJFYRDZNCF-QWRGUYRKSA-N 2 0 225.336 0.372 20 70 BCIDRP C[NH2+][C@@H](C)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000161069360 343204082 /nfs/dbraw/zinc/20/40/82/343204082.db2.gz QQJRGWGLMJIHPD-ZJUUUORDSA-N 2 0 213.325 0.195 20 70 BCIDRP C[NH2+]C[C@@H](C)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159392655 345429415 /nfs/dbraw/zinc/42/94/15/345429415.db2.gz GJIGOOXYBKLRIA-ZYHUDNBSSA-N 2 0 225.336 0.054 20 70 BCIDRP C[NH2+]C[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159877349 345580727 /nfs/dbraw/zinc/58/07/27/345580727.db2.gz CIZXOMLRVCTQOV-MXWKQRLJSA-N 2 0 225.336 0.195 20 70 BCIDRP CC(C)[C@H]([NH3+])CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000161281294 384480897 /nfs/dbraw/zinc/48/08/97/384480897.db2.gz GYTYPFDQCLKUJB-ZYHUDNBSSA-N 2 0 227.352 0.476 20 70 BCIDRP C[C@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000161278216 411293302 /nfs/dbraw/zinc/29/33/02/411293302.db2.gz YUBQWFBHPXTYGB-JQWIXIFHSA-N 2 0 225.336 0.196 20 70 BCIDRP C[C@@H](CNC(=O)CCC[NH3+])[NH+]1CCCC1 ZINC000161015041 323143130 /nfs/dbraw/zinc/14/31/30/323143130.db2.gz DBXWVWOOLABQAJ-JTQLQIEISA-N 2 0 213.325 0.326 20 70 BCIDRP CC[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000161038873 323144086 /nfs/dbraw/zinc/14/40/86/323144086.db2.gz QEJXTPSDNYSXAC-VHSXEESVSA-N 2 0 213.325 0.324 20 70 BCIDRP CC(C)C[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159618582 488071665 /nfs/dbraw/zinc/07/16/65/488071665.db2.gz YTZZDIZXNLVLTH-GRYCIOLGSA-N 2 0 239.363 0.713 20 70 BCIDRP CC(C)[C@@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)[NH+](C)C ZINC000161210235 487484940 /nfs/dbraw/zinc/48/49/40/487484940.db2.gz DXLBAGXHOGIBNY-SRVKXCTJSA-N 2 0 241.379 0.959 20 70 BCIDRP C[NH2+]CCCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160962586 488182688 /nfs/dbraw/zinc/18/26/88/488182688.db2.gz LLPTXVZTFBDBLZ-UWVGGRQHSA-N 2 0 213.325 0.372 20 70 BCIDRP C[NH2+]CCCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160962469 488182917 /nfs/dbraw/zinc/18/29/17/488182917.db2.gz LLPTXVZTFBDBLZ-VHSXEESVSA-N 2 0 213.325 0.372 20 70 BCIDRP C[C@H]([NH3+])C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000218756548 592176635 /nfs/dbraw/zinc/17/66/35/592176635.db2.gz CMTMPYQEWZTHRL-NSHDSACASA-N 2 0 239.363 0.668 20 70 BCIDRP C[C@H](C[NH3+])C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000160935623 343203843 /nfs/dbraw/zinc/20/38/43/343203843.db2.gz BMBQDPKRCHULJQ-ZJUUUORDSA-N 2 0 213.325 0.182 20 70 BCIDRP O=C([C@@H]1CCCC[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159869497 345574427 /nfs/dbraw/zinc/57/44/27/345574427.db2.gz RZEGOBGIYHQAMA-TUAOUCFPSA-N 2 0 237.347 0.481 20 70 BCIDRP CC(C)([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159616838 361268620 /nfs/dbraw/zinc/26/86/20/361268620.db2.gz QIQGJWWJFXOOLM-DTORHVGOSA-N 2 0 211.309 0.077 20 70 BCIDRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000159394123 388010922 /nfs/dbraw/zinc/01/09/22/388010922.db2.gz VOCDVMBCZGYFQE-NEPJUHHUSA-N 2 0 239.363 0.716 20 70 BCIDRP [NH3+]CC1(C(=O)N2CC[C@@H]([NH3+])C2)CCCC1 ZINC000160218867 388053557 /nfs/dbraw/zinc/05/35/57/388053557.db2.gz YGVYUHGPNROJEL-SECBINFHSA-N 2 0 211.309 0.065 20 70 BCIDRP C[NH2+]CCN(C)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000159591899 134779983 /nfs/dbraw/zinc/77/99/83/134779983.db2.gz JZJRTHVMJJQUJO-LLVKDONJSA-N 2 0 213.325 0.196 20 70 BCIDRP CC(C)[C@@H](C(=O)NCC(C)(C)[NH3+])[NH+](C)C ZINC000160003273 167341872 /nfs/dbraw/zinc/34/18/72/167341872.db2.gz MHGSJIWOVMDIDA-VIFPVBQESA-N 2 0 215.341 0.426 20 70 BCIDRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000160963758 488182784 /nfs/dbraw/zinc/18/27/84/488182784.db2.gz ODTYGLIAGVGRCG-OUAUKWLOSA-N 2 0 225.336 0.515 20 70 BCIDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCO)[C@H](C)C1 ZINC000159689627 323043832 /nfs/dbraw/zinc/04/38/32/323043832.db2.gz RMLLKKOUADGKON-CHWSQXEVSA-N 2 0 244.379 0.705 20 70 BCIDRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159392497 345429803 /nfs/dbraw/zinc/42/98/03/345429803.db2.gz GJIGOOXYBKLRIA-CMPLNLGQSA-N 2 0 225.336 0.054 20 70 BCIDRP [NH3+][C@H]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000159876665 345580645 /nfs/dbraw/zinc/58/06/45/345580645.db2.gz WGYNSLZUNFDUPW-KXNHARMFSA-N 2 0 237.347 0.467 20 70 BCIDRP C[NH2+]CCCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000161267733 346166528 /nfs/dbraw/zinc/16/65/28/346166528.db2.gz CMYZVZZQFNFBKP-NSHDSACASA-N 2 0 213.325 0.102 20 70 BCIDRP Cn1cc(C[N@H+](C)CCn2ccnc2)cn1 ZINC000161061884 384461688 /nfs/dbraw/zinc/46/16/88/384461688.db2.gz ARBJMZXEFAKCMW-UHFFFAOYSA-N 2 0 219.292 0.749 20 70 BCIDRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000159394356 385965353 /nfs/dbraw/zinc/96/53/53/385965353.db2.gz VOCDVMBCZGYFQE-VXGBXAGGSA-N 2 0 239.363 0.716 20 70 BCIDRP CCC([NH3+])(CC)CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000160419108 387089083 /nfs/dbraw/zinc/08/90/83/387089083.db2.gz GRYMBTLQJAILID-SNVBAGLBSA-N 2 0 227.352 0.762 20 70 BCIDRP [NH3+]C1(CNC(=O)C[NH2+]CC2CC2)CCCCC1 ZINC000159625307 388024031 /nfs/dbraw/zinc/02/40/31/388024031.db2.gz LLSVTRFHUMGWIE-UHFFFAOYSA-N 2 0 239.363 0.764 20 70 BCIDRP C[C@@]1(C(=O)NCCCC[NH3+])CCCC[NH2+]1 ZINC000159592335 398124727 /nfs/dbraw/zinc/12/47/27/398124727.db2.gz IHJJMSVXLXTLAZ-NSHDSACASA-N 2 0 213.325 0.374 20 70 BCIDRP CC[NH2+]CCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000161274954 170114804 /nfs/dbraw/zinc/11/48/04/170114804.db2.gz ILFPCJRMAFLYPP-NSHDSACASA-N 2 0 213.325 0.102 20 70 BCIDRP C[NH2+]CCC(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000161068523 323145760 /nfs/dbraw/zinc/14/57/60/323145760.db2.gz ICNRMDGMVKVHOZ-JTQLQIEISA-N 2 0 213.325 0.196 20 70 BCIDRP CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[NH+](C)C ZINC000161209987 487491098 /nfs/dbraw/zinc/49/10/98/487491098.db2.gz DXLBAGXHOGIBNY-TUAOUCFPSA-N 2 0 241.379 0.959 20 70 BCIDRP C[NH2+]CCCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000160962722 488182630 /nfs/dbraw/zinc/18/26/30/488182630.db2.gz LLPTXVZTFBDBLZ-NXEZZACHSA-N 2 0 213.325 0.372 20 70 BCIDRP CCC(CC)(C[NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000161159937 168322031 /nfs/dbraw/zinc/32/20/31/168322031.db2.gz DWZAFBVNKLQKCM-PHIMTYICSA-N 2 0 241.379 0.960 20 70 BCIDRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000161281632 384957898 /nfs/dbraw/zinc/95/78/98/384957898.db2.gz GYTYPFDQCLKUJB-JQWIXIFHSA-N 2 0 227.352 0.476 20 70 BCIDRP CC[NH+](CC)CCSCC(=O)NCCC[NH3+] ZINC000160055571 387040526 /nfs/dbraw/zinc/04/05/26/387040526.db2.gz IZZHMHISHSUNJO-UHFFFAOYSA-N 2 0 247.408 0.526 20 70 BCIDRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000160259821 388054999 /nfs/dbraw/zinc/05/49/99/388054999.db2.gz HPAFEEHIFRMURI-IJLUTSLNSA-N 2 0 239.363 0.844 20 70 BCIDRP CCC([NH3+])(CC)CNC(=O)[C@H](C)[NH+](C)C ZINC000160542379 487597407 /nfs/dbraw/zinc/59/74/07/487597407.db2.gz SZZBVRWBDBBENO-VIFPVBQESA-N 2 0 215.341 0.570 20 70 BCIDRP C[C@@H]1CN(C(=O)[C@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000161277934 411292552 /nfs/dbraw/zinc/29/25/52/411292552.db2.gz YUBQWFBHPXTYGB-ZYHUDNBSSA-N 2 0 225.336 0.196 20 70 BCIDRP C[NH+](C)CCNC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000160004657 323057426 /nfs/dbraw/zinc/05/74/26/323057426.db2.gz YDWWKXICUDGJFB-SNVBAGLBSA-N 2 0 245.392 0.102 20 70 BCIDRP [NH3+][C@@H]1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000160319209 323064805 /nfs/dbraw/zinc/06/48/05/323064805.db2.gz BNOGDVGPIXOONF-YPMHNXCESA-N 2 0 245.326 0.433 20 70 BCIDRP CC[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000161038733 323144071 /nfs/dbraw/zinc/14/40/71/323144071.db2.gz QEJXTPSDNYSXAC-UWVGGRQHSA-N 2 0 213.325 0.324 20 70 BCIDRP CCC(CC)(C[NH3+])C(=O)NCC[NH2+]C ZINC000161159767 323149499 /nfs/dbraw/zinc/14/94/99/323149499.db2.gz TUZIZLYGGWCBFW-UHFFFAOYSA-N 2 0 201.314 0.087 20 70 BCIDRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000161415214 487493526 /nfs/dbraw/zinc/49/35/26/487493526.db2.gz NECALYFIFRQPRB-UTLUCORTSA-N 2 0 211.309 0.125 20 70 BCIDRP [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000161414986 487493655 /nfs/dbraw/zinc/49/36/55/487493655.db2.gz NECALYFIFRQPRB-BBBLOLIVSA-N 2 0 211.309 0.125 20 70 BCIDRP [NH3+][C@H]1CCC[C@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000160757270 488159555 /nfs/dbraw/zinc/15/95/55/488159555.db2.gz CAYCJPYMDYMWNE-WPRPVWTQSA-N 2 0 211.309 0.125 20 70 BCIDRP CCC(CC)(C[NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000161157359 168321481 /nfs/dbraw/zinc/32/14/81/168321481.db2.gz OWXWIJFCBUOCLY-SNVBAGLBSA-N 2 0 227.352 0.701 20 70 BCIDRP C[NH+](C)CC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000159961852 343203160 /nfs/dbraw/zinc/20/31/60/343203160.db2.gz MTGSSKMBYKNINE-LLVKDONJSA-N 2 0 213.325 0.054 20 70 BCIDRP CCC([NH3+])(CC)CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000160559705 133508691 /nfs/dbraw/zinc/50/86/91/133508691.db2.gz MGAYXONGOYXVMO-NSHDSACASA-N 2 0 231.315 0.322 20 70 BCIDRP [NH3+]C1(C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000159622791 345449958 /nfs/dbraw/zinc/44/99/58/345449958.db2.gz IMHLSLMGGJGJNP-UHFFFAOYSA-N 2 0 239.363 0.906 20 70 BCIDRP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCn1ccnc1 ZINC000159807724 345552856 /nfs/dbraw/zinc/55/28/56/345552856.db2.gz NRKBVLCGIJSWAA-MNOVXSKESA-N 2 0 236.319 0.469 20 70 BCIDRP C[NH2+]C[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159877204 345580665 /nfs/dbraw/zinc/58/06/65/345580665.db2.gz CIZXOMLRVCTQOV-GARJFASQSA-N 2 0 225.336 0.195 20 70 BCIDRP CCC(CC)(C[NH3+])C(=O)NCCC[NH2+]C ZINC000161158385 346029371 /nfs/dbraw/zinc/02/93/71/346029371.db2.gz ZOZYGSRJVTZCBE-UHFFFAOYSA-N 2 0 215.341 0.477 20 70 BCIDRP C[NH2+]CCC(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000161068613 323145668 /nfs/dbraw/zinc/14/56/68/323145668.db2.gz ICNRMDGMVKVHOZ-SNVBAGLBSA-N 2 0 213.325 0.196 20 70 BCIDRP CCC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000217743543 134249581 /nfs/dbraw/zinc/24/95/81/134249581.db2.gz JLSNINDNEPTXLR-VWYCJHECSA-N 2 0 200.326 0.864 20 70 BCIDRP CC[C@H](O)CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000218765185 134260171 /nfs/dbraw/zinc/26/01/71/134260171.db2.gz BABLUMCRSHSHSG-VWYCJHECSA-N 2 0 200.326 0.864 20 70 BCIDRP CC(C)[C@H]([NH3+])CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000161281523 384959189 /nfs/dbraw/zinc/95/91/89/384959189.db2.gz GYTYPFDQCLKUJB-PWSUYJOCSA-N 2 0 227.352 0.476 20 70 BCIDRP C[C@@H]1CN(C(=O)[C@]2(C)CCC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000161277095 384959526 /nfs/dbraw/zinc/95/95/26/384959526.db2.gz DAEGJXZGXVQMGT-NQBHXWOUSA-N 2 0 239.363 0.585 20 70 BCIDRP CC[NH2+]CCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000161274827 170114382 /nfs/dbraw/zinc/11/43/82/170114382.db2.gz ILFPCJRMAFLYPP-LLVKDONJSA-N 2 0 213.325 0.102 20 70 BCIDRP C[C@@]1(C(=O)N2CCC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000160602009 323073497 /nfs/dbraw/zinc/07/34/97/323073497.db2.gz LYVOMHWTSUSOMY-KOLCDFICSA-N 2 0 211.309 0.078 20 70 BCIDRP C[C@H](CNC(=O)CCC[NH3+])[NH+]1CCCC1 ZINC000161015184 323143135 /nfs/dbraw/zinc/14/31/35/323143135.db2.gz DBXWVWOOLABQAJ-SNVBAGLBSA-N 2 0 213.325 0.326 20 70 BCIDRP CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[NH+](C)C ZINC000161210112 487484125 /nfs/dbraw/zinc/48/41/25/487484125.db2.gz DXLBAGXHOGIBNY-QJPTWQEYSA-N 2 0 241.379 0.959 20 70 BCIDRP CCC(CC)(C[NH3+])C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000161158111 168321028 /nfs/dbraw/zinc/32/10/28/168321028.db2.gz HHLYECZZYOSGIG-SNVBAGLBSA-N 2 0 227.352 0.572 20 70 BCIDRP C[C@H]1C[C@@H]([NH2+]CCN(C)C)CN1C1CC1 ZINC000160852164 343134314 /nfs/dbraw/zinc/13/43/14/343134314.db2.gz DKVSOSBBUKYKRS-WDEREUQCSA-N 2 0 211.353 0.763 20 70 BCIDRP C[NH2+][C@@H](C)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000161069226 343203930 /nfs/dbraw/zinc/20/39/30/343203930.db2.gz QQJRGWGLMJIHPD-UWVGGRQHSA-N 2 0 213.325 0.195 20 70 BCIDRP C[C@H](C[NH3+])C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000160935392 343203994 /nfs/dbraw/zinc/20/39/94/343203994.db2.gz BMBQDPKRCHULJQ-NXEZZACHSA-N 2 0 213.325 0.182 20 70 BCIDRP CC(C)[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159614634 345446694 /nfs/dbraw/zinc/44/66/94/345446694.db2.gz UHHJFXIMRNAINF-AXFHLTTASA-N 2 0 225.336 0.323 20 70 BCIDRP CCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000217743362 134249650 /nfs/dbraw/zinc/24/96/50/134249650.db2.gz JLSNINDNEPTXLR-OUAUKWLOSA-N 2 0 200.326 0.864 20 70 BCIDRP CC(C)[C@@H]([NH3+])CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000161281418 387177333 /nfs/dbraw/zinc/17/73/33/387177333.db2.gz GYTYPFDQCLKUJB-CMPLNLGQSA-N 2 0 227.352 0.476 20 70 BCIDRP CCCC[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160164964 388049807 /nfs/dbraw/zinc/04/98/07/388049807.db2.gz KDIXZRROXLJZEC-GRYCIOLGSA-N 2 0 239.363 0.857 20 70 BCIDRP CN(C)[C@H](C(=O)NCCC[NH3+])c1ccccc1 ZINC000160081350 397766165 /nfs/dbraw/zinc/76/61/65/397766165.db2.gz HGTMAAFWNRKTBO-LBPRGKRZSA-N 2 0 235.331 0.754 20 70 BCIDRP C[C@@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000161278105 411293227 /nfs/dbraw/zinc/29/32/27/411293227.db2.gz YUBQWFBHPXTYGB-PWSUYJOCSA-N 2 0 225.336 0.196 20 70 BCIDRP [NH3+]C1(CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCC1 ZINC000159622640 488071045 /nfs/dbraw/zinc/07/10/45/488071045.db2.gz BUZQNMINKNTJOU-PHIMTYICSA-N 2 0 237.347 0.611 20 70 BCIDRP C[C@@H]([NH3+])CC(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000161044039 487473756 /nfs/dbraw/zinc/47/37/56/487473756.db2.gz BBEMHXGUNRXHDE-NXEZZACHSA-N 2 0 213.325 0.324 20 70 BCIDRP [NH3+][C@H]1CCC[C@@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000160756996 488160100 /nfs/dbraw/zinc/16/01/00/488160100.db2.gz CAYCJPYMDYMWNE-WCBMZHEXSA-N 2 0 211.309 0.125 20 70 BCIDRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000161158697 168323316 /nfs/dbraw/zinc/32/33/16/168323316.db2.gz DIDKUVXSDDNAOA-SECBINFHSA-N 2 0 213.325 0.230 20 70 BCIDRP C[C@@]1(C(=O)NCC2([NH3+])CCCCC2)CC[NH2+]C1 ZINC000159540576 345441668 /nfs/dbraw/zinc/44/16/68/345441668.db2.gz PNLBDSGKXCOWPZ-GFCCVEGCSA-N 2 0 239.363 0.764 20 70 BCIDRP [NH3+]Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)o1 ZINC000160744353 349316520 /nfs/dbraw/zinc/31/65/20/349316520.db2.gz YBMJNNNKWIYCAJ-AOOOYVTPSA-N 2 0 249.314 0.705 20 70 BCIDRP C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217807059 134250454 /nfs/dbraw/zinc/25/04/54/134250454.db2.gz SZPAPAYGOCOIHD-BBBLOLIVSA-N 2 0 211.309 0.077 20 70 BCIDRP C[C@@H]1C[C@H]([NH2+]CCN(C)C)CN1C1CC1 ZINC000160851781 361331716 /nfs/dbraw/zinc/33/17/16/361331716.db2.gz DKVSOSBBUKYKRS-MNOVXSKESA-N 2 0 211.353 0.763 20 70 BCIDRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH3+] ZINC000160000864 169198506 /nfs/dbraw/zinc/19/85/06/169198506.db2.gz NUOIBSHILOUMOA-JTQLQIEISA-N 2 0 213.325 0.326 20 70 BCIDRP [NH3+]C1(CNC(=O)C[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000159716354 388027893 /nfs/dbraw/zinc/02/78/93/388027893.db2.gz XLBZRROBFKIKIB-NSHDSACASA-N 2 0 239.363 0.906 20 70 BCIDRP CCN(C)C(=O)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000217354471 388570052 /nfs/dbraw/zinc/57/00/52/388570052.db2.gz JRSNIDAZRZWWCE-ZJUUUORDSA-N 2 0 213.325 0.324 20 70 BCIDRP C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217807325 134250386 /nfs/dbraw/zinc/25/03/86/134250386.db2.gz SZPAPAYGOCOIHD-GUBZILKMSA-N 2 0 211.309 0.077 20 70 BCIDRP CC[NH+](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160387750 411139846 /nfs/dbraw/zinc/13/98/46/411139846.db2.gz QBJAWKLZWSGEDQ-TXEJJXNPSA-N 2 0 239.363 0.681 20 70 BCIDRP C[C@H]1CN(C(=O)[C@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000161277992 411293216 /nfs/dbraw/zinc/29/32/16/411293216.db2.gz YUBQWFBHPXTYGB-CMPLNLGQSA-N 2 0 225.336 0.196 20 70 BCIDRP CC[C@H](C(=O)NCC1CC[NH+](C)CC1)[NH+](C)C ZINC000159908469 323053277 /nfs/dbraw/zinc/05/32/77/323053277.db2.gz QAOQGFUCFQBXCR-GFCCVEGCSA-N 2 0 241.379 0.785 20 70 BCIDRP C[NH+](C)CCNC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000160004811 323057341 /nfs/dbraw/zinc/05/73/41/323057341.db2.gz YDWWKXICUDGJFB-JTQLQIEISA-N 2 0 245.392 0.102 20 70 BCIDRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000160319342 323064797 /nfs/dbraw/zinc/06/47/97/323064797.db2.gz BNOGDVGPIXOONF-DGCLKSJQSA-N 2 0 245.326 0.433 20 70 BCIDRP COC[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160762053 323134632 /nfs/dbraw/zinc/13/46/32/323134632.db2.gz XWAUDGMAQPQILP-QWHCGFSZSA-N 2 0 244.379 0.848 20 70 BCIDRP [NH3+][C@@H]1CCC[C@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC000160963285 488182547 /nfs/dbraw/zinc/18/25/47/488182547.db2.gz RWLDOJFYRDZNCF-MNOVXSKESA-N 2 0 225.336 0.372 20 70 BCIDRP OCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161343321 538915386 /nfs/dbraw/zinc/91/53/86/538915386.db2.gz MSHMLGJTEUIJQO-UHFFFAOYSA-N 2 0 221.304 0.586 20 70 BCIDRP C[C@]1(C(=O)NCCCC[NH3+])CCCC[NH2+]1 ZINC000159592183 361259677 /nfs/dbraw/zinc/25/96/77/361259677.db2.gz IHJJMSVXLXTLAZ-LLVKDONJSA-N 2 0 213.325 0.374 20 70 BCIDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH3+] ZINC000160000721 169195806 /nfs/dbraw/zinc/19/58/06/169195806.db2.gz NUOIBSHILOUMOA-SNVBAGLBSA-N 2 0 213.325 0.326 20 70 BCIDRP C[C@@H](C(=O)NCCC[NH3+])[NH+]1CCCCCC1 ZINC000160038957 387042100 /nfs/dbraw/zinc/04/21/00/387042100.db2.gz TUDCHCFSHYACDO-NSHDSACASA-N 2 0 227.352 0.716 20 70 BCIDRP C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000161348397 387188610 /nfs/dbraw/zinc/18/86/10/387188610.db2.gz SHYRLPRORZAEFD-WDEREUQCSA-N 2 0 225.336 0.339 20 70 BCIDRP C[NH2+]C[C@@H](C)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159392357 134773663 /nfs/dbraw/zinc/77/36/63/134773663.db2.gz GJIGOOXYBKLRIA-PWSUYJOCSA-N 2 0 225.336 0.054 20 70 BCIDRP C[C@H]([NH3+])C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000218744664 412086842 /nfs/dbraw/zinc/08/68/42/412086842.db2.gz QWRCMRKVGOUVKE-QMMMGPOBSA-N 2 0 211.309 0.077 20 70 BCIDRP CC[C@@H](C(=O)NCC1CC[NH+](C)CC1)[NH+](C)C ZINC000159908345 323053295 /nfs/dbraw/zinc/05/32/95/323053295.db2.gz QAOQGFUCFQBXCR-LBPRGKRZSA-N 2 0 241.379 0.785 20 70 BCIDRP O=C(C[C@@H]1CC[NH2+]C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159611880 488069878 /nfs/dbraw/zinc/06/98/78/488069878.db2.gz XXDRMIDGQHNCKP-SDDRHHMPSA-N 2 0 237.347 0.339 20 70 BCIDRP [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000160963643 488182762 /nfs/dbraw/zinc/18/27/62/488182762.db2.gz ODTYGLIAGVGRCG-GMTAPVOTSA-N 2 0 225.336 0.515 20 70 BCIDRP CCC(CC)(C[NH3+])C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000161159019 168321348 /nfs/dbraw/zinc/32/13/48/168321348.db2.gz LHBRTVOGKRPPIY-LLVKDONJSA-N 2 0 241.379 0.962 20 70 BCIDRP CCN(C)C(=O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000217354562 259351416 /nfs/dbraw/zinc/35/14/16/259351416.db2.gz JRSNIDAZRZWWCE-VHSXEESVSA-N 2 0 213.325 0.324 20 70 BCIDRP C[NH+](C)CC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000159961746 343203020 /nfs/dbraw/zinc/20/30/20/343203020.db2.gz MTGSSKMBYKNINE-NSHDSACASA-N 2 0 213.325 0.054 20 70 BCIDRP C[C@@]1(C(=O)N2CCC[C@@H]([NH3+])C2)CCC[NH2+]C1 ZINC000161262908 349411816 /nfs/dbraw/zinc/41/18/16/349411816.db2.gz UTDZLHVVMSUQDZ-ZYHUDNBSSA-N 2 0 225.336 0.326 20 70 BCIDRP C[C@@H](CO)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000160925333 538456148 /nfs/dbraw/zinc/45/61/48/538456148.db2.gz CZTWUJWRTCNFSN-LLVKDONJSA-N 2 0 214.353 0.888 20 70 BCIDRP C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217807231 134250707 /nfs/dbraw/zinc/25/07/07/134250707.db2.gz SZPAPAYGOCOIHD-UTLUCORTSA-N 2 0 211.309 0.077 20 70 BCIDRP C[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000160543582 384418959 /nfs/dbraw/zinc/41/89/59/384418959.db2.gz ZIVSPINIJFUOTN-WDEREUQCSA-N 2 0 227.352 0.393 20 70 BCIDRP [NH3+][C@H]1CCC[C@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000160963544 487780911 /nfs/dbraw/zinc/78/09/11/487780911.db2.gz ODTYGLIAGVGRCG-GARJFASQSA-N 2 0 225.336 0.515 20 70 BCIDRP CC[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159617954 323040599 /nfs/dbraw/zinc/04/05/99/323040599.db2.gz FQPMNAFGZYEFEG-KXUCPTDWSA-N 2 0 211.309 0.077 20 70 BCIDRP [NH3+][C@H]1CCC[C@@H](NC(=O)CC2CC[NH2+]CC2)C1 ZINC000161200179 487484981 /nfs/dbraw/zinc/48/49/81/487484981.db2.gz XPHLUSRBAKENAE-NWDGAFQWSA-N 2 0 239.363 0.762 20 70 BCIDRP CCC(CC)(C[NH3+])C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000161160149 168320990 /nfs/dbraw/zinc/32/09/90/168320990.db2.gz DWZAFBVNKLQKCM-QWRGUYRKSA-N 2 0 241.379 0.960 20 70 BCIDRP CC(C)[N@H+](C)CC(=O)NCC(C)(C)[NH3+] ZINC000159939221 345696897 /nfs/dbraw/zinc/69/68/97/345696897.db2.gz LMZFHBSISVOTLP-UHFFFAOYSA-N 2 0 201.314 0.180 20 70 BCIDRP CC(C)[C@H](C(=O)NCC(C)(C)[NH3+])[NH+](C)C ZINC000159974916 345763519 /nfs/dbraw/zinc/76/35/19/345763519.db2.gz MHGSJIWOVMDIDA-SECBINFHSA-N 2 0 215.341 0.426 20 70 BCIDRP O=C([C@@H]1CCC[NH2+]C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160740661 349315762 /nfs/dbraw/zinc/31/57/62/349315762.db2.gz BSIIBGWJIXOWKD-UTUOFQBUSA-N 2 0 237.347 0.339 20 70 BCIDRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000160143142 188220268 /nfs/dbraw/zinc/22/02/68/188220268.db2.gz AWXKBNJUTPEDEM-SNVBAGLBSA-N 2 0 213.325 0.276 20 70 BCIDRP CCOC(=O)[C@H](C)N1CCC[C@@H](C[NH3+])C1 ZINC000217561705 134248330 /nfs/dbraw/zinc/24/83/30/134248330.db2.gz AHTFHHMMPJOXTA-UWVGGRQHSA-N 2 0 214.309 0.609 20 70 BCIDRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000159394491 384329558 /nfs/dbraw/zinc/32/95/58/384329558.db2.gz VOCDVMBCZGYFQE-RYUDHWBXSA-N 2 0 239.363 0.716 20 70 BCIDRP C[C@@H](C(=O)N(C)C)N1CCC[C@@H](C[NH3+])C1 ZINC000217553074 134248597 /nfs/dbraw/zinc/24/85/97/134248597.db2.gz ASUIAWSLDXZPFP-UWVGGRQHSA-N 2 0 213.325 0.134 20 70 BCIDRP CC[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000217712550 134250654 /nfs/dbraw/zinc/25/06/54/134250654.db2.gz JSJHVWVLQDSCIE-GMTAPVOTSA-N 2 0 200.326 0.864 20 70 BCIDRP [NH3+][C@@H]1CCC[C@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000160757394 488159969 /nfs/dbraw/zinc/15/99/69/488159969.db2.gz CAYCJPYMDYMWNE-SCZZXKLOSA-N 2 0 211.309 0.125 20 70 BCIDRP [NH3+][C@H]1CCC[C@@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC000160962977 488182925 /nfs/dbraw/zinc/18/29/25/488182925.db2.gz RWLDOJFYRDZNCF-WDEREUQCSA-N 2 0 225.336 0.372 20 70 BCIDRP CC[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000218765114 535977761 /nfs/dbraw/zinc/97/77/61/535977761.db2.gz BABLUMCRSHSHSG-OUAUKWLOSA-N 2 0 200.326 0.864 20 70 BCIDRP CCC(CC)(C[NH3+])C(=O)N1CCC[C@H]([NH3+])C1 ZINC000161157230 168321197 /nfs/dbraw/zinc/32/11/97/168321197.db2.gz OWXWIJFCBUOCLY-JTQLQIEISA-N 2 0 227.352 0.701 20 70 BCIDRP CCN(C)C(=O)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000217354629 259351458 /nfs/dbraw/zinc/35/14/58/259351458.db2.gz JRSNIDAZRZWWCE-UWVGGRQHSA-N 2 0 213.325 0.324 20 70 BCIDRP CC[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC000218647776 363131357 /nfs/dbraw/zinc/13/13/57/363131357.db2.gz CWJMZUTWCGWJQG-UHFFFAOYSA-N 2 0 213.325 0.054 20 70 BCIDRP CC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159615162 361269190 /nfs/dbraw/zinc/26/91/90/361269190.db2.gz FQPMNAFGZYEFEG-AEJSXWLSSA-N 2 0 211.309 0.077 20 70 BCIDRP CC[NH+](CC)CCN(CC[NH3+])CCOC ZINC000160766786 361326400 /nfs/dbraw/zinc/32/64/00/361326400.db2.gz YLYHZDIIBLOKTF-UHFFFAOYSA-N 2 0 217.357 0.235 20 70 BCIDRP C[C@@H]1C[C@@H]([NH2+]CCN(C)C)CN1C1CC1 ZINC000160852041 361331014 /nfs/dbraw/zinc/33/10/14/361331014.db2.gz DKVSOSBBUKYKRS-GHMZBOCLSA-N 2 0 211.353 0.763 20 70 BCIDRP C[NH2+][C@@H]1CCCN(C(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000161274210 384521049 /nfs/dbraw/zinc/52/10/49/384521049.db2.gz ULTGIACXHYDPEP-YPMHNXCESA-N 2 0 239.363 0.587 20 70 BCIDRP C[NH2+][C@@H]1CCCN(C(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000161274330 385651820 /nfs/dbraw/zinc/65/18/20/385651820.db2.gz ULTGIACXHYDPEP-DGCLKSJQSA-N 2 0 239.363 0.587 20 70 BCIDRP C[C@@]1(C(=O)NCC2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000161267593 387169737 /nfs/dbraw/zinc/16/97/37/387169737.db2.gz RLYZCFWYVBDMKB-CYBMUJFWSA-N 2 0 239.363 0.492 20 70 BCIDRP CCCC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160164831 388049781 /nfs/dbraw/zinc/04/97/81/388049781.db2.gz KDIXZRROXLJZEC-TUAOUCFPSA-N 2 0 239.363 0.857 20 70 BCIDRP COC[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160762179 323134653 /nfs/dbraw/zinc/13/46/53/323134653.db2.gz XWAUDGMAQPQILP-CHWSQXEVSA-N 2 0 244.379 0.848 20 70 BCIDRP C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])[NH+]1CCCC1 ZINC000161057386 488110643 /nfs/dbraw/zinc/11/06/43/488110643.db2.gz WMRPKJJLDZFISI-TUAOUCFPSA-N 2 0 239.363 0.714 20 70 BCIDRP CC(C)[C@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)[NH+](C)C ZINC000161210346 487484677 /nfs/dbraw/zinc/48/46/77/487484677.db2.gz DXLBAGXHOGIBNY-SDDRHHMPSA-N 2 0 241.379 0.959 20 70 BCIDRP [NH3+][C@H]1CCC[C@H](NC(=O)CC2CC[NH2+]CC2)C1 ZINC000161200430 487484713 /nfs/dbraw/zinc/48/47/13/487484713.db2.gz XPHLUSRBAKENAE-RYUDHWBXSA-N 2 0 239.363 0.762 20 70 BCIDRP C[NH2+]C[C@@H]1CCCN1C(=O)CC1([NH3+])CCC1 ZINC000161360002 487492536 /nfs/dbraw/zinc/49/25/36/487492536.db2.gz FCGCSXUMNRCAMK-JTQLQIEISA-N 2 0 225.336 0.468 20 70 BCIDRP C[C@H](CNC(=O)[C@@H](C)C[NH3+])[NH+]1CCCC1 ZINC000160935282 343204153 /nfs/dbraw/zinc/20/41/53/343204153.db2.gz BMBQDPKRCHULJQ-VHSXEESVSA-N 2 0 213.325 0.182 20 70 BCIDRP C[C@]1(C(=O)NCC2([NH3+])CCCCC2)CC[NH2+]C1 ZINC000159540433 345441663 /nfs/dbraw/zinc/44/16/63/345441663.db2.gz PNLBDSGKXCOWPZ-LBPRGKRZSA-N 2 0 239.363 0.764 20 70 BCIDRP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCn1ccnc1 ZINC000159807916 345552740 /nfs/dbraw/zinc/55/27/40/345552740.db2.gz NRKBVLCGIJSWAA-GHMZBOCLSA-N 2 0 236.319 0.469 20 70 BCIDRP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCn1ccnc1 ZINC000159807997 345552842 /nfs/dbraw/zinc/55/28/42/345552842.db2.gz NRKBVLCGIJSWAA-WDEREUQCSA-N 2 0 236.319 0.469 20 70 BCIDRP C[NH2+]CCCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000161267835 346166455 /nfs/dbraw/zinc/16/64/55/346166455.db2.gz CMYZVZZQFNFBKP-LLVKDONJSA-N 2 0 213.325 0.102 20 70 BCIDRP C[C@H](C(=O)N(C)C)N1CCC[C@@H](C[NH3+])C1 ZINC000217552983 134248575 /nfs/dbraw/zinc/24/85/75/134248575.db2.gz ASUIAWSLDXZPFP-ZJUUUORDSA-N 2 0 213.325 0.134 20 70 BCIDRP [NH3+][C@@H]1CCC[C@H](NC(=O)CC2CC[NH2+]CC2)C1 ZINC000161200571 487982861 /nfs/dbraw/zinc/98/28/61/487982861.db2.gz XPHLUSRBAKENAE-NEPJUHHUSA-N 2 0 239.363 0.762 20 70 BCIDRP [NH3+][C@@H]1CCC[C@@H](NC(=O)CC2CC[NH2+]CC2)C1 ZINC000161200321 487484304 /nfs/dbraw/zinc/48/43/04/487484304.db2.gz XPHLUSRBAKENAE-VXGBXAGGSA-N 2 0 239.363 0.762 20 70 BCIDRP C[NH2+]C[C@H]1CCCN1C(=O)CC1([NH3+])CCC1 ZINC000161360147 487492210 /nfs/dbraw/zinc/49/22/10/487492210.db2.gz FCGCSXUMNRCAMK-SNVBAGLBSA-N 2 0 225.336 0.468 20 70 BCIDRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000160757137 488160028 /nfs/dbraw/zinc/16/00/28/488160028.db2.gz CAYCJPYMDYMWNE-PSASIEDQSA-N 2 0 211.309 0.125 20 70 BCIDRP C[NH2+]CCCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000160962845 488182590 /nfs/dbraw/zinc/18/25/90/488182590.db2.gz LLPTXVZTFBDBLZ-ZJUUUORDSA-N 2 0 213.325 0.372 20 70 BCIDRP [NH3+][C@H]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000160963432 488183040 /nfs/dbraw/zinc/18/30/40/488183040.db2.gz ODTYGLIAGVGRCG-HBNTYKKESA-N 2 0 225.336 0.515 20 70 BCIDRP CCC(CC)(C[NH3+])C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000161157993 168321882 /nfs/dbraw/zinc/32/18/82/168321882.db2.gz HHLYECZZYOSGIG-JTQLQIEISA-N 2 0 227.352 0.572 20 70 BCIDRP COCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000217904461 536893859 /nfs/dbraw/zinc/89/38/59/536893859.db2.gz GXBHJFXQMYMVDO-GARJFASQSA-N 2 0 200.326 0.951 20 70 BCIDRP CC[NH2+]CC1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000161057300 345531685 /nfs/dbraw/zinc/53/16/85/345531685.db2.gz VIMKYWXIBASCKZ-UHFFFAOYSA-N 2 0 241.379 0.819 20 70 BCIDRP CN(c1ncnc2[nH]ccc21)C1CC([NH3+])C1 ZINC000218563025 345744778 /nfs/dbraw/zinc/74/47/78/345744778.db2.gz DSZFXAFWOBUIFN-UHFFFAOYSA-N 2 0 217.276 0.884 20 70 BCIDRP C[C@]1(C(=O)N2CCC[C@@H]([NH3+])C2)CCC[NH2+]C1 ZINC000161262771 349411465 /nfs/dbraw/zinc/41/14/65/349411465.db2.gz UTDZLHVVMSUQDZ-PWSUYJOCSA-N 2 0 225.336 0.326 20 70 BCIDRP C[C@@H]1CN(C(=O)[C@]2(C)CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000161276864 200711437 /nfs/dbraw/zinc/71/14/37/200711437.db2.gz DAEGJXZGXVQMGT-NTZNESFSSA-N 2 0 239.363 0.585 20 70 BCIDRP O=C(C[C@@H]1CCC[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160580837 384422181 /nfs/dbraw/zinc/42/21/81/384422181.db2.gz ULJWYOCOQKAIMI-SDDRHHMPSA-N 2 0 237.347 0.481 20 70 BCIDRP C[NH2+][C@H]1CCCN(C(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000161273947 385651950 /nfs/dbraw/zinc/65/19/50/385651950.db2.gz ULTGIACXHYDPEP-AAEUAGOBSA-N 2 0 239.363 0.587 20 70 BCIDRP O=C(C1CC[NH2+]CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160167474 386188058 /nfs/dbraw/zinc/18/80/58/386188058.db2.gz ABJDQYASPGNOEC-TXEJJXNPSA-N 2 0 237.347 0.339 20 70 BCIDRP C[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000161348632 387189055 /nfs/dbraw/zinc/18/90/55/387189055.db2.gz SHYRLPRORZAEFD-GHMZBOCLSA-N 2 0 225.336 0.339 20 70 BCIDRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000159394621 388011744 /nfs/dbraw/zinc/01/17/44/388011744.db2.gz VOCDVMBCZGYFQE-NWDGAFQWSA-N 2 0 239.363 0.716 20 70 BCIDRP C[C@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]C1 ZINC000160743046 388086910 /nfs/dbraw/zinc/08/69/10/388086910.db2.gz DLSAFSFBWHYOTE-LOWVWBTDSA-N 2 0 237.347 0.339 20 70 BCIDRP CCN(C)C(=O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000217354394 388569819 /nfs/dbraw/zinc/56/98/19/388569819.db2.gz JRSNIDAZRZWWCE-NXEZZACHSA-N 2 0 213.325 0.324 20 70 BCIDRP CC(C)[C@@H](C(=O)N1CCC[NH2+]CC1)[NH+](C)C ZINC000160824358 167343168 /nfs/dbraw/zinc/34/31/68/167343168.db2.gz VBOPRJOTXSNNDY-NSHDSACASA-N 2 0 227.352 0.395 20 70 BCIDRP CC(C)[NH+]1CCC(C(=O)NCCC[NH3+])CC1 ZINC000160079614 411308562 /nfs/dbraw/zinc/30/85/62/411308562.db2.gz PGMGDFBGZBFHKY-UHFFFAOYSA-N 2 0 227.352 0.572 20 70 BCIDRP [NH3+][C@@H]1CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000160260061 201707766 /nfs/dbraw/zinc/70/77/66/201707766.db2.gz HPAFEEHIFRMURI-GRYCIOLGSA-N 2 0 239.363 0.844 20 70 BCIDRP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCn1ccnc1 ZINC000159807816 345552804 /nfs/dbraw/zinc/55/28/04/345552804.db2.gz NRKBVLCGIJSWAA-QWRGUYRKSA-N 2 0 236.319 0.469 20 70 BCIDRP CC(C)[C@H](C(=O)NCCC[NH3+])[NH+](C)C ZINC000160042692 188220677 /nfs/dbraw/zinc/22/06/77/188220677.db2.gz YUIKOUCFLKTVJI-SECBINFHSA-N 2 0 201.314 0.038 20 70 BCIDRP CC(C)[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159614761 386064724 /nfs/dbraw/zinc/06/47/24/386064724.db2.gz UHHJFXIMRNAINF-OUAUKWLOSA-N 2 0 225.336 0.323 20 70 BCIDRP C[C@H](C(=O)NCCC[NH3+])[NH+]1CCCCCC1 ZINC000160039064 387040537 /nfs/dbraw/zinc/04/05/37/387040537.db2.gz TUDCHCFSHYACDO-LLVKDONJSA-N 2 0 227.352 0.716 20 70 BCIDRP C[C@]1(C(=O)NCC2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000161267464 387169749 /nfs/dbraw/zinc/16/97/49/387169749.db2.gz RLYZCFWYVBDMKB-ZDUSSCGKSA-N 2 0 239.363 0.492 20 70 BCIDRP [NH3+][C@@H]1CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000160259940 388055264 /nfs/dbraw/zinc/05/52/64/388055264.db2.gz HPAFEEHIFRMURI-WOPDTQHZSA-N 2 0 239.363 0.844 20 70 BCIDRP C[C@@H](C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)[NH+](C)C ZINC000161193896 487601086 /nfs/dbraw/zinc/60/10/86/487601086.db2.gz RDTJTLJIZMDPGV-AEJSXWLSSA-N 2 0 213.325 0.323 20 70 BCIDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCO)[C@H](C)C1 ZINC000159689491 323043827 /nfs/dbraw/zinc/04/38/27/323043827.db2.gz RMLLKKOUADGKON-OLZOCXBDSA-N 2 0 244.379 0.705 20 70 BCIDRP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000161348502 323075986 /nfs/dbraw/zinc/07/59/86/323075986.db2.gz SHYRLPRORZAEFD-MNOVXSKESA-N 2 0 225.336 0.339 20 70 BCIDRP C[C@@H]([NH3+])CC(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000161044300 487473744 /nfs/dbraw/zinc/47/37/44/487473744.db2.gz BBEMHXGUNRXHDE-ZJUUUORDSA-N 2 0 213.325 0.324 20 70 BCIDRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC000160963102 488182743 /nfs/dbraw/zinc/18/27/43/488182743.db2.gz RWLDOJFYRDZNCF-GHMZBOCLSA-N 2 0 225.336 0.372 20 70 BCIDRP C[C@@H](C[NH3+])C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000160935510 343204088 /nfs/dbraw/zinc/20/40/88/343204088.db2.gz BMBQDPKRCHULJQ-UWVGGRQHSA-N 2 0 213.325 0.182 20 70 BCIDRP [NH3+][C@H]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160134912 345803194 /nfs/dbraw/zinc/80/31/94/345803194.db2.gz HRZISQUVILOMJW-KXNHARMFSA-N 2 0 237.347 0.467 20 70 BCIDRP C[NH2+]CCN(C)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000159592043 350245826 /nfs/dbraw/zinc/24/58/26/350245826.db2.gz JZJRTHVMJJQUJO-NSHDSACASA-N 2 0 213.325 0.196 20 70 BCIDRP C[C@H](CO)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000160925235 538456095 /nfs/dbraw/zinc/45/60/95/538456095.db2.gz CZTWUJWRTCNFSN-NSHDSACASA-N 2 0 214.353 0.888 20 70 BCIDRP [NH3+]CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160740300 361326951 /nfs/dbraw/zinc/32/69/51/361326951.db2.gz GZPYRJBDGMXLPT-AOOOYVTPSA-N 2 0 211.309 0.078 20 70 BCIDRP [NH3+]C1(CNC(=O)C[C@H]2CCC[NH2+]2)CCCCC1 ZINC000159716489 201688072 /nfs/dbraw/zinc/68/80/72/201688072.db2.gz XLBZRROBFKIKIB-LLVKDONJSA-N 2 0 239.363 0.906 20 70 BCIDRP C[NH2+][C@H]1CCCN(C(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000161274076 385651303 /nfs/dbraw/zinc/65/13/03/385651303.db2.gz ULTGIACXHYDPEP-WCQYABFASA-N 2 0 239.363 0.587 20 70 BCIDRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000160259691 388055166 /nfs/dbraw/zinc/05/51/66/388055166.db2.gz HPAFEEHIFRMURI-UTUOFQBUSA-N 2 0 239.363 0.844 20 70 BCIDRP C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000160543665 388073404 /nfs/dbraw/zinc/07/34/04/388073404.db2.gz ZIVSPINIJFUOTN-GHMZBOCLSA-N 2 0 227.352 0.393 20 70 BCIDRP C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217807141 134250667 /nfs/dbraw/zinc/25/06/67/134250667.db2.gz SZPAPAYGOCOIHD-AEJSXWLSSA-N 2 0 211.309 0.077 20 70 BCIDRP O=C([C@@H]1CCC[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159613325 134781386 /nfs/dbraw/zinc/78/13/86/134781386.db2.gz HZIAKTCOHUGOTM-AXFHLTTASA-N 2 0 223.320 0.091 20 70 BCIDRP CC[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000161038504 323144160 /nfs/dbraw/zinc/14/41/60/323144160.db2.gz QEJXTPSDNYSXAC-ZJUUUORDSA-N 2 0 213.325 0.324 20 70 BCIDRP [NH3+][C@H]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000161414863 487493268 /nfs/dbraw/zinc/49/32/68/487493268.db2.gz NECALYFIFRQPRB-AEJSXWLSSA-N 2 0 211.309 0.125 20 70 BCIDRP CC[C@H](CCO)[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000217712715 536098478 /nfs/dbraw/zinc/09/84/78/536098478.db2.gz JSJHVWVLQDSCIE-MXWKQRLJSA-N 2 0 200.326 0.864 20 70 BCIDRP COCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000217904314 536894425 /nfs/dbraw/zinc/89/44/25/536894425.db2.gz GXBHJFXQMYMVDO-HBNTYKKESA-N 2 0 200.326 0.951 20 70 BCIDRP