smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](C[NH2+][C@H](C)c1ccccn1)C1CC1 ZINC000160889384 538913396 /nfs/dbraw/zinc/91/33/96/538913396.db2.gz GOJYUPPRFPZSGY-WDEREUQCSA-N 1 0 204.317 2.778 20 70 BFIDRO COC[C@H]([NH2+]C[C@H]1CCc2ccccc21)C1CC1 ZINC000161009596 538913820 /nfs/dbraw/zinc/91/38/20/538913820.db2.gz UTEHEXBHYCTRRX-ZBFHGGJFSA-N 1 0 245.366 2.731 20 70 BFIDRO COCC[C@@H](C)[NH2+]CCCSCC(C)C ZINC000160019103 201698960 /nfs/dbraw/zinc/69/89/60/201698960.db2.gz SJZCCNRVKBZAPE-GFCCVEGCSA-N 1 0 233.421 2.780 20 70 BFIDRO CCC(CC)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000160079308 168387951 /nfs/dbraw/zinc/38/79/51/168387951.db2.gz HSPCSYCBSFPVML-LBPRGKRZSA-N 1 0 227.373 2.734 20 70 BFIDRO CC[C@H](CSC)[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000217327729 342920567 /nfs/dbraw/zinc/92/05/67/342920567.db2.gz SBDWJIVLWBSOSX-WOPDTQHZSA-N 1 0 231.405 2.675 20 70 BFIDRO CC[C@H](CSC)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000217327750 342920616 /nfs/dbraw/zinc/92/06/16/342920616.db2.gz HREULISBDHOWCK-AEJSXWLSSA-N 1 0 219.419 2.612 20 70 BFIDRO CC[C@H](CSC)[NH2+][C@H]1CS[C@@H](C)C1 ZINC000217327754 342920628 /nfs/dbraw/zinc/92/06/28/342920628.db2.gz HREULISBDHOWCK-IVZWLZJFSA-N 1 0 219.419 2.612 20 70 BFIDRO CC[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000160348578 201711213 /nfs/dbraw/zinc/71/12/13/201711213.db2.gz ZBWBPCFSEDREGN-XQQFMLRXSA-N 1 0 213.365 2.562 20 70 BFIDRO C[C@H]([NH2+]C[C@@H]1CCCS1)c1cscn1 ZINC000161222900 323038075 /nfs/dbraw/zinc/03/80/75/323038075.db2.gz QSDQHCTUCQJVQP-IUCAKERBSA-N 1 0 228.386 2.689 20 70 BFIDRO CCCCN(C(=O)C[NH3+])[C@H](CC)c1ccccc1 ZINC000159781606 345529905 /nfs/dbraw/zinc/52/99/05/345529905.db2.gz DDIYUENCWGGJHZ-CQSZACIVSA-N 1 0 248.370 2.725 20 70 BFIDRO Cc1cccc([C@@H]2CCC[N@@H+]2CC2CC2)n1 ZINC000159926067 345661083 /nfs/dbraw/zinc/66/10/83/345661083.db2.gz YTJLZOVBPPMPMR-AWEZNQCLSA-N 1 0 216.328 2.937 20 70 BFIDRO Cc1cccc([C@H]2CCC[N@H+]2CCOC(C)C)n1 ZINC000160036214 345788947 /nfs/dbraw/zinc/78/89/47/345788947.db2.gz LWSLLRKANSEDER-OAHLLOKOSA-N 1 0 248.370 2.952 20 70 BFIDRO C[C@@H](O)C(C)(C)[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000161253034 346166152 /nfs/dbraw/zinc/16/61/52/346166152.db2.gz DUXWFEINRXPONG-IJLUTSLNSA-N 1 0 213.365 2.562 20 70 BFIDRO CC[C@@H](C)C[NH2+]CC1CCSCC1 ZINC000161501499 346251899 /nfs/dbraw/zinc/25/18/99/346251899.db2.gz HLHNNJLGYIVFOU-SNVBAGLBSA-N 1 0 201.379 2.765 20 70 BFIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccco1 ZINC000161193392 346479286 /nfs/dbraw/zinc/47/92/86/346479286.db2.gz OAHJNZUTBCBVOP-QWHCGFSZSA-N 1 0 236.359 2.805 20 70 BFIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccco1 ZINC000161193529 346479785 /nfs/dbraw/zinc/47/97/85/346479785.db2.gz OAHJNZUTBCBVOP-STQMWFEESA-N 1 0 236.359 2.805 20 70 BFIDRO Cc1cccc(C[C@@H]([NH2+]CC(C)(C)O)C2CC2)c1 ZINC000160651547 179104945 /nfs/dbraw/zinc/10/49/45/179104945.db2.gz OCXRADGGMKXXBJ-OAHLLOKOSA-N 1 0 247.382 2.677 20 70 BFIDRO CCC(CC)C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000161045163 349366448 /nfs/dbraw/zinc/36/64/48/349366448.db2.gz NDWKUAMACYIHPC-CQSZACIVSA-N 1 0 224.392 2.593 20 70 BFIDRO C[C@@H](C[NH2+][C@@H](C)c1ccccn1)C1CC1 ZINC000160889143 538456156 /nfs/dbraw/zinc/45/61/56/538456156.db2.gz GOJYUPPRFPZSGY-QWRGUYRKSA-N 1 0 204.317 2.778 20 70 BFIDRO CCOCCC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160400075 538884636 /nfs/dbraw/zinc/88/46/36/538884636.db2.gz ALAAZQXMSPAQDD-HNNXBMFYSA-N 1 0 248.370 2.954 20 70 BFIDRO CCn1nccc1C[NH2+]Cc1ccc(C)cc1C ZINC000160041219 541495340 /nfs/dbraw/zinc/49/53/40/541495340.db2.gz BDCBAQWFRZUCCE-UHFFFAOYSA-N 1 0 243.354 2.810 20 70 BFIDRO c1cc2c(c(C[N@@H+]3C[C@@H]4CCC[C@@H]4C3)c1)NCC2 ZINC000160573332 183364955 /nfs/dbraw/zinc/36/49/55/183364955.db2.gz TZGJMHLYMPRQMA-OKILXGFUSA-N 1 0 242.366 2.887 20 70 BFIDRO c1cc2c(c(C[NH+]3C[C@@H]4CCC[C@H]4C3)c1)NCC2 ZINC000160573597 183365566 /nfs/dbraw/zinc/36/55/66/183365566.db2.gz TZGJMHLYMPRQMA-KBPBESRZSA-N 1 0 242.366 2.887 20 70 BFIDRO c1cc(SCC[NH+]2CCCCC2)ccn1 ZINC000159886178 183359924 /nfs/dbraw/zinc/35/99/24/183359924.db2.gz DSUPZHHBNZKLCN-UHFFFAOYSA-N 1 0 222.357 2.660 20 70 BFIDRO Cc1ccoc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159632898 384345466 /nfs/dbraw/zinc/34/54/66/384345466.db2.gz UUSVIAGJGHRCBK-UBHSHLNASA-N 1 0 247.338 2.635 20 70 BFIDRO Cc1ccc(CC[N@@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159729099 384352637 /nfs/dbraw/zinc/35/26/37/384352637.db2.gz XOWLBCHMUZQEKM-HOTGVXAUSA-N 1 0 247.382 2.630 20 70 BFIDRO C[C@@H](C[N@H+](C)C[C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000159767569 384355757 /nfs/dbraw/zinc/35/57/57/384355757.db2.gz OSACTHZYSYTOSI-BPUTZDHNSA-N 1 0 247.382 2.883 20 70 BFIDRO C[C@@H](CCc1ccc(F)cc1)[NH2+]CC(C)(C)O ZINC000160656774 384425914 /nfs/dbraw/zinc/42/59/14/384425914.db2.gz ORWNGBDHDUTAAX-NSHDSACASA-N 1 0 239.334 2.507 20 70 BFIDRO Cc1cnccc1C[NH2+]Cc1ccsc1 ZINC000160596171 384421791 /nfs/dbraw/zinc/42/17/91/384421791.db2.gz ZYIKKSBRTTYDMF-UHFFFAOYSA-N 1 0 218.325 2.741 20 70 BFIDRO c1ccc2c(c1)CN(CCC[NH+]1CCCCC1)C2 ZINC000160988001 384453035 /nfs/dbraw/zinc/45/30/35/384453035.db2.gz FUUPDXSNHVDPOA-UHFFFAOYSA-N 1 0 244.382 2.878 20 70 BFIDRO CN(Cc1cncs1)Cc1ccccc1F ZINC000160725638 384430365 /nfs/dbraw/zinc/43/03/65/384430365.db2.gz PDZIOSWBEDYNKT-UHFFFAOYSA-N 1 0 236.315 2.914 20 70 BFIDRO C[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccco1 ZINC000161092814 384464083 /nfs/dbraw/zinc/46/40/83/384464083.db2.gz QTKUCEQYSIPTIF-UPJWGTAASA-N 1 0 236.359 2.803 20 70 BFIDRO C[N@H+](CCc1ccncc1)CCC(C)(C)C ZINC000161251352 384477159 /nfs/dbraw/zinc/47/71/59/384477159.db2.gz FCPFKPGECCFFQI-UHFFFAOYSA-N 1 0 220.360 2.992 20 70 BFIDRO CCCC[C@@H](C(=O)OC)[N@H+](CC)CCCC ZINC000161011392 384676838 /nfs/dbraw/zinc/67/68/38/384676838.db2.gz HZXCBSHSBRYROB-LBPRGKRZSA-N 1 0 229.364 2.840 20 70 BFIDRO C[N@H+](CCC1CCCC1)C[C@@H]1CCCO1 ZINC000160273032 384733245 /nfs/dbraw/zinc/73/32/45/384733245.db2.gz RNXOMBHYGGIHNB-ZDUSSCGKSA-N 1 0 211.349 2.678 20 70 BFIDRO CCCC[C@@H](C(=O)OC)[N@H+](CC)CC(C)C ZINC000161012142 384735606 /nfs/dbraw/zinc/73/56/06/384735606.db2.gz DBZQFYDYFOBHPA-LBPRGKRZSA-N 1 0 229.364 2.696 20 70 BFIDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000161012805 384832443 /nfs/dbraw/zinc/83/24/43/384832443.db2.gz DZDCBCUCOMLUSB-LLVKDONJSA-N 1 0 245.775 2.748 20 70 BFIDRO CSC[C@@H](C)[NH2+][C@H](C)c1cscn1 ZINC000161204893 384920271 /nfs/dbraw/zinc/92/02/71/384920271.db2.gz YZOTVHPNFFTPHP-HTQZYQBOSA-N 1 0 216.375 2.545 20 70 BFIDRO CC[C@H]([NH3+])C(=O)N(C)[C@H](C)c1cc(C)ccc1C ZINC000161309125 387186680 /nfs/dbraw/zinc/18/66/80/387186680.db2.gz YOYXOWCPPBVCEY-OCCSQVGLSA-N 1 0 248.370 2.560 20 70 BFIDRO COc1cc(F)cc(C[NH2+]C(C)(C)C)c1 ZINC000159672974 134783867 /nfs/dbraw/zinc/78/38/67/134783867.db2.gz NJWQUOUIDCGUMH-UHFFFAOYSA-N 1 0 211.280 2.722 20 70 BFIDRO CCC[C@@H](C)[NH2+]C[C@](C)(O)CCC(C)C ZINC000159373049 388011207 /nfs/dbraw/zinc/01/12/07/388011207.db2.gz BTYWYSBSSHNFAX-CHWSQXEVSA-N 1 0 215.381 2.952 20 70 BFIDRO CCC1CC[NH+](CCOCC2CC2)CC1 ZINC000159427568 388014745 /nfs/dbraw/zinc/01/47/45/388014745.db2.gz SCVLCDSOOBPQBE-UHFFFAOYSA-N 1 0 211.349 2.535 20 70 BFIDRO CC[C@@H]([NH2+]CCC(C)(C)C)[C@H]1CCCO1 ZINC000159756916 388029218 /nfs/dbraw/zinc/02/92/18/388029218.db2.gz GUSXOPCWWBMXQE-VXGBXAGGSA-N 1 0 213.365 2.970 20 70 BFIDRO CCCC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)O ZINC000160623434 388079882 /nfs/dbraw/zinc/07/98/82/388079882.db2.gz LAUILRKITUKNHZ-NWDGAFQWSA-N 1 0 213.365 2.706 20 70 BFIDRO CC[C@H]1CCCC[N@@H+]1C[C@@H](O)C(C)(C)C ZINC000216905108 134177753 /nfs/dbraw/zinc/17/77/53/134177753.db2.gz GPFNRRASLSTKHU-NWDGAFQWSA-N 1 0 213.365 2.658 20 70 BFIDRO CCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000217731462 411529602 /nfs/dbraw/zinc/52/96/02/411529602.db2.gz LUFCQDHRVULGQT-UPJWGTAASA-N 1 0 213.365 2.706 20 70 BFIDRO CC[NH2+]CCNCc1ccc(Cl)c(Cl)c1 ZINC000161308036 170115631 /nfs/dbraw/zinc/11/56/31/170115631.db2.gz HWXGXHUYKYYEHV-UHFFFAOYSA-N 1 0 247.169 2.693 20 70 BFIDRO COc1cccc(C[NH2+]C2(C)CCC2)c1 ZINC000160013433 175262979 /nfs/dbraw/zinc/26/29/79/175262979.db2.gz YZXXKVRPCOBPAY-UHFFFAOYSA-N 1 0 205.301 2.727 20 70 BFIDRO COc1cccc(N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000217923084 175279804 /nfs/dbraw/zinc/27/98/04/175279804.db2.gz DFIFMZKHUOGYBI-SLEUVZQESA-N 1 0 248.370 2.836 20 70 BFIDRO COc1cccc(N[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000217922948 175280227 /nfs/dbraw/zinc/28/02/27/175280227.db2.gz DFIFMZKHUOGYBI-YWPYICTPSA-N 1 0 248.370 2.836 20 70 BFIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccccc1Cl ZINC000160598095 175945192 /nfs/dbraw/zinc/94/51/92/175945192.db2.gz FFLWBFKEKVMDDE-SECBINFHSA-N 1 0 227.735 2.589 20 70 BFIDRO CC[C@H](C)C[N@H+](C)Cc1cnc2ccccn12 ZINC000160339552 323065057 /nfs/dbraw/zinc/06/50/57/323065057.db2.gz CWLLULOAVAOBLU-LBPRGKRZSA-N 1 0 231.343 2.812 20 70 BFIDRO Cc1nc2ccccn2c1C[N@H+]1CCC[C@H]1C ZINC000160892367 323137882 /nfs/dbraw/zinc/13/78/82/323137882.db2.gz CJMLSUJHEPYCTL-LLVKDONJSA-N 1 0 229.327 2.627 20 70 BFIDRO C[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000161163219 323149590 /nfs/dbraw/zinc/14/95/90/323149590.db2.gz IIPMNKRPYJTCBT-SFYZADRCSA-N 1 0 231.698 2.511 20 70 BFIDRO c1n[nH]cc1C[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC000216836991 592083247 /nfs/dbraw/zinc/08/32/47/592083247.db2.gz ZTASPYFHNWKWLF-UHFFFAOYSA-N 1 0 245.370 2.716 20 70 BFIDRO COC[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)C1CC1 ZINC000161009492 538913570 /nfs/dbraw/zinc/91/35/70/538913570.db2.gz UTEHEXBHYCTRRX-GOEBONIOSA-N 1 0 245.366 2.731 20 70 BFIDRO CCC(CC)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000160079450 168388350 /nfs/dbraw/zinc/38/83/50/168388350.db2.gz HSPCSYCBSFPVML-GFCCVEGCSA-N 1 0 227.373 2.734 20 70 BFIDRO C[C@@H](CC1CC1)[NH2+][C@@H](C)c1cscn1 ZINC000161196841 343204663 /nfs/dbraw/zinc/20/46/63/343204663.db2.gz IMQVHKKXSXVFBV-IUCAKERBSA-N 1 0 210.346 2.982 20 70 BFIDRO C[C@@H]([NH2+][C@@H](C)CC1CC1)c1cscn1 ZINC000161197093 343204733 /nfs/dbraw/zinc/20/47/33/343204733.db2.gz IMQVHKKXSXVFBV-DTWKUNHWSA-N 1 0 210.346 2.982 20 70 BFIDRO CC(C)[C@@H]1CCN(CC(=O)c2ccccc2F)C1 ZINC000160752986 362169001 /nfs/dbraw/zinc/16/90/01/362169001.db2.gz PGETWDCODOFMGI-GFCCVEGCSA-N 1 0 249.329 2.986 20 70 BFIDRO CCC(CC)C[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000161045945 345212673 /nfs/dbraw/zinc/21/26/73/345212673.db2.gz FRAFJSFHUAOWGX-DGCLKSJQSA-N 1 0 213.365 2.658 20 70 BFIDRO C1=CC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000159523144 345440087 /nfs/dbraw/zinc/44/00/87/345440087.db2.gz QQAVVJDNYBSUOY-XQLPTFJDSA-N 1 0 247.382 2.890 20 70 BFIDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCCCCO)n1 ZINC000159720980 345504361 /nfs/dbraw/zinc/50/43/61/345504361.db2.gz KPGJLSHWQGPXOH-HNNXBMFYSA-N 1 0 248.370 2.690 20 70 BFIDRO CC(C)[NH2+]CCC(=O)N[C@@H](C)CCC(C)(C)C ZINC000161229816 346132938 /nfs/dbraw/zinc/13/29/38/346132938.db2.gz KBVOSVFQRCDDNG-LBPRGKRZSA-N 1 0 242.407 2.706 20 70 BFIDRO CCSCC[C@@H](C)[NH2+][C@H]1CCCOCC1 ZINC000161462900 346212201 /nfs/dbraw/zinc/21/22/01/346212201.db2.gz ANXQUNRSDOPUQS-NEPJUHHUSA-N 1 0 231.405 2.677 20 70 BFIDRO CC1(C)C[C@@H](Nc2ccnc(C3CC3)n2)CCO1 ZINC000160648273 346460528 /nfs/dbraw/zinc/46/05/28/346460528.db2.gz NAHQOMQETDMMQP-NSHDSACASA-N 1 0 247.342 2.724 20 70 BFIDRO CC[C@H](COC)[NH2+]C[C@H]1CCc2ccccc21 ZINC000161001318 349356957 /nfs/dbraw/zinc/35/69/57/349356957.db2.gz SBUZNEWLSZDZEE-ZIAGYGMSSA-N 1 0 233.355 2.731 20 70 BFIDRO CCCC[C@@H](CC)CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000160219577 353260607 /nfs/dbraw/zinc/26/06/07/353260607.db2.gz YZCRQWMJANYJSO-CHWSQXEVSA-N 1 0 240.391 2.543 20 70 BFIDRO CC(C)OCC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000217617659 134249688 /nfs/dbraw/zinc/24/96/88/134249688.db2.gz IEDNMTVWHAYOBA-RWMBFGLXSA-N 1 0 213.365 2.826 20 70 BFIDRO CCc1nc(C[NH2+]C2(C)CCC2)cs1 ZINC000160001354 361297588 /nfs/dbraw/zinc/29/75/88/361297588.db2.gz KRNXAWRKESXNML-UHFFFAOYSA-N 1 0 210.346 2.738 20 70 BFIDRO CCC[C@H](C)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000159988794 361295291 /nfs/dbraw/zinc/29/52/91/361295291.db2.gz JNBMNSYPBDIVEJ-RYUDHWBXSA-N 1 0 213.365 2.970 20 70 BFIDRO CC[C@H]([NH3+])C(=O)N(C)[C@@H](c1ccccc1)C(C)C ZINC000159757067 384353713 /nfs/dbraw/zinc/35/37/13/384353713.db2.gz JSFKLWMYWUVDOA-UONOGXRCSA-N 1 0 248.370 2.579 20 70 BFIDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccccn1 ZINC000159383551 384324943 /nfs/dbraw/zinc/32/49/43/384324943.db2.gz UDHCEEYOYOILQK-CTHBEMJXSA-N 1 0 246.354 2.690 20 70 BFIDRO Cc1ccc(C[C@H]([NH2+]CC(C)(C)O)C2CC2)cc1 ZINC000160661463 384426516 /nfs/dbraw/zinc/42/65/16/384426516.db2.gz UQVMOYFUEKVQGD-HNNXBMFYSA-N 1 0 247.382 2.677 20 70 BFIDRO CCc1cc(=O)[nH]c(C[N@H+]2CCCC[C@@H]2CC)n1 ZINC000160465686 384413911 /nfs/dbraw/zinc/41/39/11/384413911.db2.gz VJXFQYYXSANIMM-LBPRGKRZSA-N 1 0 249.358 2.509 20 70 BFIDRO CCC[C@@H](C)CC(=O)NCC1([NH3+])CCCCC1 ZINC000159589403 386052803 /nfs/dbraw/zinc/05/28/03/386052803.db2.gz CQJMRGYBJVKESI-GFCCVEGCSA-N 1 0 240.391 2.591 20 70 BFIDRO CCN1CCCC[C@@H]1C[NH2+][C@H](C(C)C)C1CC1 ZINC000161208142 387149340 /nfs/dbraw/zinc/14/93/40/387149340.db2.gz GVDGTCOUPJISKT-HUUCEWRRSA-N 1 0 238.419 2.885 20 70 BFIDRO C[C@@H]([NH2+]C[C@H]1CCCS1)c1cscn1 ZINC000161223283 387155971 /nfs/dbraw/zinc/15/59/71/387155971.db2.gz QSDQHCTUCQJVQP-RKDXNWHRSA-N 1 0 228.386 2.689 20 70 BFIDRO CCOCCC[N@H+](C)[C@H](C)c1ccco1 ZINC000159761439 388029679 /nfs/dbraw/zinc/02/96/79/388029679.db2.gz GAODXBLKCRWJAC-LLVKDONJSA-N 1 0 211.305 2.699 20 70 BFIDRO c1ccc([C@@H]2CC[N@@H+](CCOCC3CC3)C2)cc1 ZINC000159808050 388031599 /nfs/dbraw/zinc/03/15/99/388031599.db2.gz VIAGVOVUDXFAHE-MRXNPFEDSA-N 1 0 245.366 2.903 20 70 BFIDRO Cc1cnccc1C[NH2+][C@@H](C)CC(C)C ZINC000160591229 388076802 /nfs/dbraw/zinc/07/68/02/388076802.db2.gz SVLBRAYQRINZIC-LBPRGKRZSA-N 1 0 206.333 2.914 20 70 BFIDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)C(C)(C)C ZINC000160602848 388078128 /nfs/dbraw/zinc/07/81/28/388078128.db2.gz WJVFPHVPEZFPNL-TUAOUCFPSA-N 1 0 213.365 2.562 20 70 BFIDRO CCCC[C@@H](C(=O)OC)[N@H+](C)CC(C)(C)C ZINC000160664053 388082079 /nfs/dbraw/zinc/08/20/79/388082079.db2.gz BIBUVIBSXPYBJQ-NSHDSACASA-N 1 0 229.364 2.696 20 70 BFIDRO CCCC[C@@H](C(=O)OC)[NH+]1CCCCCC1 ZINC000160796292 388091390 /nfs/dbraw/zinc/09/13/90/388091390.db2.gz AECDIKDNKUXOEQ-LBPRGKRZSA-N 1 0 227.348 2.594 20 70 BFIDRO C[C@H]1CCC[N@H+](C[C@@H](O)C(C)(C)C)CC1 ZINC000216830177 134159236 /nfs/dbraw/zinc/15/92/36/134159236.db2.gz TUTNJJAZWIEFDR-NWDGAFQWSA-N 1 0 213.365 2.515 20 70 BFIDRO CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C(C)(C)C ZINC000216905073 134177646 /nfs/dbraw/zinc/17/76/46/134177646.db2.gz GPFNRRASLSTKHU-VXGBXAGGSA-N 1 0 213.365 2.658 20 70 BFIDRO CC[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000218762723 134259973 /nfs/dbraw/zinc/25/99/73/134259973.db2.gz SCZFQDQQHGQWMI-ZDEQEGDKSA-N 1 0 213.365 2.562 20 70 BFIDRO CC(C)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159444434 397947024 /nfs/dbraw/zinc/94/70/24/397947024.db2.gz KYICORGTRQDQEL-MRXNPFEDSA-N 1 0 245.366 2.816 20 70 BFIDRO CC[NH+](CC)Cc1cncn1Cc1ccccc1 ZINC000218008544 398099317 /nfs/dbraw/zinc/09/93/17/398099317.db2.gz JIHAPMTWEVSYEW-UHFFFAOYSA-N 1 0 243.354 2.773 20 70 BFIDRO CC1([NH2+]Cc2ccc(F)c(F)c2)CCC1 ZINC000159992531 168063235 /nfs/dbraw/zinc/06/32/35/168063235.db2.gz PJWINSGKDDDFIY-UHFFFAOYSA-N 1 0 211.255 2.997 20 70 BFIDRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161424133 171388785 /nfs/dbraw/zinc/38/87/85/171388785.db2.gz MOEODTZPBYTKEY-YDHLFZDLSA-N 1 0 235.371 2.787 20 70 BFIDRO CC[C@H](O)CC[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000218758505 412108396 /nfs/dbraw/zinc/10/83/96/412108396.db2.gz QOZSLHFZABKIQS-UPJWGTAASA-N 1 0 213.365 2.706 20 70 BFIDRO CC[C@H]([NH2+]CCC(C)(C)O)c1nc(C)cs1 ZINC000159662278 171517990 /nfs/dbraw/zinc/51/79/90/171517990.db2.gz MZOUAOGSPKZPSS-JTQLQIEISA-N 1 0 242.388 2.653 20 70 BFIDRO CSCCC[NH2+][C@@H](C)c1cscn1 ZINC000161203667 175487905 /nfs/dbraw/zinc/48/79/05/175487905.db2.gz HKHYAHKDSSOGBN-QMMMGPOBSA-N 1 0 216.375 2.547 20 70 BFIDRO C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](N(C)C)C1 ZINC000217139537 176022396 /nfs/dbraw/zinc/02/23/96/176022396.db2.gz KXMNBJNSFZOWQM-DZGCQCFKSA-N 1 0 232.371 2.774 20 70 BFIDRO C[C@H](c1ccccc1F)[N@H+](C)CCn1ccnc1 ZINC000161425248 177041080 /nfs/dbraw/zinc/04/10/80/177041080.db2.gz IDNQNROPOKLDGU-GFCCVEGCSA-N 1 0 247.317 2.715 20 70 BFIDRO C[C@H]1C[NH+](Cc2cc(O)cc(F)c2)C[C@@H]1C ZINC000159847013 177260471 /nfs/dbraw/zinc/26/04/71/177260471.db2.gz JYHXBZAXRAVEFG-UWVGGRQHSA-N 1 0 223.291 2.619 20 70 BFIDRO Cc1nc(C)c(C[NH2+]Cc2cccs2)o1 ZINC000159423579 487772726 /nfs/dbraw/zinc/77/27/26/487772726.db2.gz FZBOOXUWHMUBPR-UHFFFAOYSA-N 1 0 222.313 2.643 20 70 BFIDRO CC(C)[N@H+](Cc1cc[nH]n1)C1CCCCC1 ZINC000159772958 323047492 /nfs/dbraw/zinc/04/74/92/323047492.db2.gz HLHZEKRHANOYJE-UHFFFAOYSA-N 1 0 221.348 2.953 20 70 BFIDRO CCc1ccc(C[NH2+]C(C)(C)[C@H](C)O)s1 ZINC000160596888 323073347 /nfs/dbraw/zinc/07/33/47/323073347.db2.gz IJUQSPKYSGCPJT-VIFPVBQESA-N 1 0 227.373 2.560 20 70 BFIDRO CC(C)[N@H+](CCCF)CCc1nccs1 ZINC000159902452 323075315 /nfs/dbraw/zinc/07/53/15/323075315.db2.gz JKERUQLYDHLLCW-UHFFFAOYSA-N 1 0 230.352 2.756 20 70 BFIDRO C[C@@H]([NH2+]C[C@@H]1CCCS1)c1cscn1 ZINC000161223028 323469699 /nfs/dbraw/zinc/46/96/99/323469699.db2.gz QSDQHCTUCQJVQP-BDAKNGLRSA-N 1 0 228.386 2.689 20 70 BFIDRO CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)CCC(C)(C)C ZINC000159768009 488086040 /nfs/dbraw/zinc/08/60/40/488086040.db2.gz SRQZPEMSWRQNDV-NWDGAFQWSA-N 1 0 242.407 2.691 20 70 BFIDRO CC[C@H](C)[NH2+]Cc1cccc(OC)c1F ZINC000160459175 488135075 /nfs/dbraw/zinc/13/50/75/488135075.db2.gz BJBACUGRYIGVSS-VIFPVBQESA-N 1 0 211.280 2.722 20 70 BFIDRO CC[C@H](COC)[NH2+]C/C=C\c1ccccc1 ZINC000217648603 536121659 /nfs/dbraw/zinc/12/16/59/536121659.db2.gz MNYDGNUCGFTOHD-JKEYDSJLSA-N 1 0 219.328 2.714 20 70 BFIDRO CCOCCC1(C[NH2+][C@H](C)CCOC)CCC1 ZINC000159980774 535488888 /nfs/dbraw/zinc/48/88/88/535488888.db2.gz RGUGDJGIJAZGGN-CYBMUJFWSA-N 1 0 243.391 2.598 20 70 BFIDRO CC[C@@H](C)[N@H+](C)CCNc1nc(Cl)cs1 ZINC000218765122 592179463 /nfs/dbraw/zinc/17/94/63/592179463.db2.gz LYQHOJWWPLXIAT-MRVPVSSYSA-N 1 0 247.795 2.939 20 70 BFIDRO Cc1cc(C)n(CCCNc2cc[nH+]c(C)c2)n1 ZINC000160914048 178159172 /nfs/dbraw/zinc/15/91/72/178159172.db2.gz YGKPQVLUPSGICW-UHFFFAOYSA-N 1 0 244.342 2.706 20 70 BFIDRO CC[C@H]([NH3+])C(=O)N[C@H](CCC(C)C)C(C)(C)C ZINC000160072260 323059686 /nfs/dbraw/zinc/05/96/86/323059686.db2.gz OSYOVFYMDSLGJT-NWDGAFQWSA-N 1 0 242.407 2.691 20 70 BFIDRO CCCCNC(=O)[C@@H](C)[N@H+](CC)C[C@@H](C)CC ZINC000160548029 323070424 /nfs/dbraw/zinc/07/04/24/323070424.db2.gz BTBMLECFSSNPBQ-QWHCGFSZSA-N 1 0 242.407 2.659 20 70 BFIDRO C1=CC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000159522860 345440124 /nfs/dbraw/zinc/44/01/24/345440124.db2.gz QQAVVJDNYBSUOY-YJNKXOJESA-N 1 0 247.382 2.890 20 70 BFIDRO CCCCN(C(=O)C[NH3+])[C@@H](CC)c1ccccc1 ZINC000159781448 345529463 /nfs/dbraw/zinc/52/94/63/345529463.db2.gz DDIYUENCWGGJHZ-AWEZNQCLSA-N 1 0 248.370 2.725 20 70 BFIDRO C[C@H]1C[C@H](C)[N@H+](Cc2cc(O)cc(F)c2)C1 ZINC000159853559 345569597 /nfs/dbraw/zinc/56/95/97/345569597.db2.gz QMFHFKMLJWRABQ-UWVGGRQHSA-N 1 0 223.291 2.762 20 70 BFIDRO CCC1(CC)[C@H]([NH2+][C@@H](C)CCOC)C[C@@H]1OC ZINC000160110362 345800402 /nfs/dbraw/zinc/80/04/02/345800402.db2.gz WXGRTSBZIJACFC-XQQFMLRXSA-N 1 0 243.391 2.595 20 70 BFIDRO CC[N@@H+](Cc1cnc2ccccn12)CC1CC1 ZINC000160390624 347907821 /nfs/dbraw/zinc/90/78/21/347907821.db2.gz RKEYLZDEVCIUNK-UHFFFAOYSA-N 1 0 229.327 2.566 20 70 BFIDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2cnc3ccccn23)C1 ZINC000160897824 349336427 /nfs/dbraw/zinc/33/64/27/349336427.db2.gz JSMXIRBUIPCZEH-OLZOCXBDSA-N 1 0 243.354 2.955 20 70 BFIDRO C[C@@H]1CCC[N@H+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000218672066 350098943 /nfs/dbraw/zinc/09/89/43/350098943.db2.gz KLQXXTSMPVDURN-JHJVBQTASA-N 1 0 211.349 2.533 20 70 BFIDRO C[C@H](O)C[C@H]1CCC[N@@H+]1CCC(C)(C)C ZINC000159378515 350141986 /nfs/dbraw/zinc/14/19/86/350141986.db2.gz YGDVNPOPDWIHCB-NWDGAFQWSA-N 1 0 213.365 2.658 20 70 BFIDRO CC(C)(O)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000160612644 188334898 /nfs/dbraw/zinc/33/48/98/188334898.db2.gz UAGXLSNMPQFLAH-KGLIPLIRSA-N 1 0 233.355 2.683 20 70 BFIDRO C[C@H]([N@H+](C)C[C@@H](O)C(C)(C)C)C(C)(C)C ZINC000216949672 357476727 /nfs/dbraw/zinc/47/67/27/357476727.db2.gz BYOFCTYQMAACOJ-WDEREUQCSA-N 1 0 215.381 2.760 20 70 BFIDRO CC[C@@H](C)C[NH2+]Cc1cc(O)cc(F)c1 ZINC000159600363 361260366 /nfs/dbraw/zinc/26/03/66/361260366.db2.gz DQOJBKHCVGOOEB-SECBINFHSA-N 1 0 211.280 2.667 20 70 BFIDRO CCC[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000159600360 361260838 /nfs/dbraw/zinc/26/08/38/361260838.db2.gz KREZUFOVPWOXTD-UHFFFAOYSA-N 1 0 224.251 2.662 20 70 BFIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)CC)c1 ZINC000160616144 169252436 /nfs/dbraw/zinc/25/24/36/169252436.db2.gz NNRZTULWDWURGA-GFCCVEGCSA-N 1 0 248.370 2.715 20 70 BFIDRO CCc1ccc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000159476568 384248140 /nfs/dbraw/zinc/24/81/40/384248140.db2.gz AADYFTOOFCXIIQ-CVEARBPZSA-N 1 0 247.382 2.842 20 70 BFIDRO CC1CC[NH+](Cc2cc(O)cc(F)c2)CC1 ZINC000159810757 384360254 /nfs/dbraw/zinc/36/02/54/384360254.db2.gz LTYHCHNQAIXRGT-UHFFFAOYSA-N 1 0 223.291 2.763 20 70 BFIDRO C[C@@H](O)C[N@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC000159385634 384329070 /nfs/dbraw/zinc/32/90/70/384329070.db2.gz XONFPJFWBWIZIN-QMTHXVAHSA-N 1 0 237.318 2.516 20 70 BFIDRO Cc1occc1CN(C)CC[C@@H]1CCC[N@@H+]1C ZINC000161474044 384493595 /nfs/dbraw/zinc/49/35/95/384493595.db2.gz WKWIYPVTANWCKF-AWEZNQCLSA-N 1 0 236.359 2.504 20 70 BFIDRO CC[NH+](CC)[C@@H](C)CNC(=O)CCC(C)(C)C ZINC000160067087 384601859 /nfs/dbraw/zinc/60/18/59/384601859.db2.gz PVHUELWYCGCMDJ-LBPRGKRZSA-N 1 0 242.407 2.659 20 70 BFIDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCO2)n1 ZINC000160294894 384648507 /nfs/dbraw/zinc/64/85/07/384648507.db2.gz YREBPXWKIFAYKY-ZFWWWQNUSA-N 1 0 246.354 2.706 20 70 BFIDRO C[C@@H]([NH2+]CC1CCCC1)c1cscn1 ZINC000161167004 384864350 /nfs/dbraw/zinc/86/43/50/384864350.db2.gz GIUOCGBRXFKNDU-SECBINFHSA-N 1 0 210.346 2.984 20 70 BFIDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(F)cn1 ZINC000161432593 385047355 /nfs/dbraw/zinc/04/73/55/385047355.db2.gz OIEIOORDJOGTCP-GUBZILKMSA-N 1 0 208.280 2.527 20 70 BFIDRO CC[N@@H+](Cc1c(C)nc2ccccn21)CC1CC1 ZINC000160390777 385585031 /nfs/dbraw/zinc/58/50/31/385585031.db2.gz LBMJGBWHRKGMBU-UHFFFAOYSA-N 1 0 243.354 2.875 20 70 BFIDRO CCC[C@H](C)[NH2+]C[C@@](C)(O)CCC(C)C ZINC000159373442 388010673 /nfs/dbraw/zinc/01/06/73/388010673.db2.gz BTYWYSBSSHNFAX-STQMWFEESA-N 1 0 215.381 2.952 20 70 BFIDRO CCC(CC)[NH2+]C[C@](C)(O)CCC(C)C ZINC000159418803 388013143 /nfs/dbraw/zinc/01/31/43/388013143.db2.gz OHEQYKCRTCABLT-CYBMUJFWSA-N 1 0 215.381 2.952 20 70 BFIDRO CCOCCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000159809357 388031436 /nfs/dbraw/zinc/03/14/36/388031436.db2.gz WSNFGQJUTYVATC-OAHLLOKOSA-N 1 0 233.355 2.903 20 70 BFIDRO Cc1cnccc1C[NH2+][C@H]1CCC[C@H]1C ZINC000160601679 388078412 /nfs/dbraw/zinc/07/84/12/388078412.db2.gz WEXJEKLHDKBPJE-MFKMUULPSA-N 1 0 204.317 2.668 20 70 BFIDRO COc1c(C)cnc(C[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000160964418 388106533 /nfs/dbraw/zinc/10/65/33/388106533.db2.gz QXUBFLBUNXKLFW-LLVKDONJSA-N 1 0 248.370 2.939 20 70 BFIDRO COc1c(C)cnc(C[N@@H+]2CCC[C@H](C)C2)c1C ZINC000160964312 388107178 /nfs/dbraw/zinc/10/71/78/388107178.db2.gz QXUBFLBUNXKLFW-NSHDSACASA-N 1 0 248.370 2.939 20 70 BFIDRO CC[C@@H](COC)[NH2+]C/C=C\c1ccccc1 ZINC000217648519 134249246 /nfs/dbraw/zinc/24/92/46/134249246.db2.gz MNYDGNUCGFTOHD-YHAOYDPOSA-N 1 0 219.328 2.714 20 70 BFIDRO CC1([NH2+]Cc2cc(O)cc(F)c2)CCC1 ZINC000159621112 168063059 /nfs/dbraw/zinc/06/30/59/168063059.db2.gz ZSWMZFMAGWCYQP-UHFFFAOYSA-N 1 0 209.264 2.564 20 70 BFIDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccncc1C ZINC000160593909 171366030 /nfs/dbraw/zinc/36/60/30/171366030.db2.gz VECKNZSECGPUCC-CMPLNLGQSA-N 1 0 206.333 2.914 20 70 BFIDRO COCCC1(C[NH2+][C@@H](C)c2ccccn2)CCC1 ZINC000159378173 174156285 /nfs/dbraw/zinc/15/62/85/174156285.db2.gz WEBKWQVWNABKDJ-ZDUSSCGKSA-N 1 0 248.370 2.939 20 70 BFIDRO COc1ccc(N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000217923782 175154910 /nfs/dbraw/zinc/15/49/10/175154910.db2.gz DCFAYOWMNNOLDU-SLEUVZQESA-N 1 0 248.370 2.836 20 70 BFIDRO Cc1cc(C)cc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159685261 323043807 /nfs/dbraw/zinc/04/38/07/323043807.db2.gz CPJQEWKVKYNALW-HOTGVXAUSA-N 1 0 247.382 2.896 20 70 BFIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)c1nnc(C)o1 ZINC000160597691 323073327 /nfs/dbraw/zinc/07/33/27/323073327.db2.gz BPHRSTTXRRUELX-UWVGGRQHSA-N 1 0 225.336 2.807 20 70 BFIDRO CC(C)[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)C1CC1 ZINC000160627970 323073954 /nfs/dbraw/zinc/07/39/54/323073954.db2.gz LZTFTTCULXZHAA-HZSPNIEDSA-N 1 0 225.376 2.562 20 70 BFIDRO CC1CCC([N@H+](Cc2nccn2C)C2CC2)CC1 ZINC000160811495 323075648 /nfs/dbraw/zinc/07/56/48/323075648.db2.gz CWKJIDNLASMXJX-UHFFFAOYSA-N 1 0 247.386 2.963 20 70 BFIDRO COC[C@H]([NH2+]C[C@@H]1CCc2ccccc21)C(C)C ZINC000160992802 323142713 /nfs/dbraw/zinc/14/27/13/323142713.db2.gz YWMMHKAICHAUSK-HOCLYGCPSA-N 1 0 247.382 2.977 20 70 BFIDRO CC[C@H](C)[C@@H](C)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000161114697 323147583 /nfs/dbraw/zinc/14/75/83/323147583.db2.gz YYENBSUFPIMEJC-NWDGAFQWSA-N 1 0 249.354 2.982 20 70 BFIDRO CCC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000161350306 323505658 /nfs/dbraw/zinc/50/56/58/323505658.db2.gz MVZWGPUFLFZVLZ-CYBMUJFWSA-N 1 0 204.317 2.922 20 70 BFIDRO COC(C[N@@H+]1CCC[C@H]1C1CCCCC1)OC ZINC000160624107 487970248 /nfs/dbraw/zinc/97/02/48/487970248.db2.gz QBHDJRYDKBRRFM-ZDUSSCGKSA-N 1 0 241.375 2.650 20 70 BFIDRO CC(C)(C)CCCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161477165 487501273 /nfs/dbraw/zinc/50/12/73/487501273.db2.gz ILDHFHKAIWPGRR-RYUDHWBXSA-N 1 0 240.391 2.589 20 70 BFIDRO CC[C@H](CCO)[NH2+]CCC1CCCCC1 ZINC000217712372 536097822 /nfs/dbraw/zinc/09/78/22/536097822.db2.gz GFYSUSKIVLHIPI-CYBMUJFWSA-N 1 0 213.365 2.707 20 70 BFIDRO Cc1cc(C[NH2+][C@@]2(C)CCOC2)c(C)s1 ZINC000160188099 178036649 /nfs/dbraw/zinc/03/66/49/178036649.db2.gz OTXFAZXCSRVHMS-LBPRGKRZSA-N 1 0 225.357 2.634 20 70 BFIDRO c1n[nH]cc1C[NH2+]CC1C2CC3CC(C2)CC1C3 ZINC000216837043 343581261 /nfs/dbraw/zinc/58/12/61/343581261.db2.gz XMEUDBPLNPUVJI-UHFFFAOYSA-N 1 0 245.370 2.572 20 70 BFIDRO CC[C@@](C)(O)C[N@H+](C)Cc1ccc(C)s1 ZINC000160880933 201743055 /nfs/dbraw/zinc/74/30/55/201743055.db2.gz HZHFMROEFSYMQH-GFCCVEGCSA-N 1 0 227.373 2.649 20 70 BFIDRO CC[C@@H]([NH2+]CC(C)C)c1ccc(F)cn1 ZINC000161304495 346167707 /nfs/dbraw/zinc/16/77/07/346167707.db2.gz BIEBRZVRRDWQKY-LLVKDONJSA-N 1 0 210.296 2.917 20 70 BFIDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCCc1cnn(C)c1 ZINC000161422310 346186946 /nfs/dbraw/zinc/18/69/46/346186946.db2.gz OZVWYSPFXBMRSF-HUUCEWRRSA-N 1 0 249.402 2.911 20 70 BFIDRO CC[C@H](C)C[NH2+]CC1CCSCC1 ZINC000161501617 346251991 /nfs/dbraw/zinc/25/19/91/346251991.db2.gz HLHNNJLGYIVFOU-JTQLQIEISA-N 1 0 201.379 2.765 20 70 BFIDRO Cc1ccc(C[C@H]([NH2+]CC(C)(C)O)C(C)C)cc1 ZINC000160651986 346452569 /nfs/dbraw/zinc/45/25/69/346452569.db2.gz GKVQGYLXMIOFSA-HNNXBMFYSA-N 1 0 249.398 2.923 20 70 BFIDRO C(C[N@@H+]1CC[C@@H](N2CCCC2)C1)C1CCCC1 ZINC000160336541 347400426 /nfs/dbraw/zinc/40/04/26/347400426.db2.gz WYWAFQZVGFDABO-OAHLLOKOSA-N 1 0 236.403 2.737 20 70 BFIDRO Cc1nc2ccccn2c1C[N@@H+]1CCC(C)(C)C1 ZINC000160869940 349334018 /nfs/dbraw/zinc/33/40/18/349334018.db2.gz GGJDIJSZLJKADS-UHFFFAOYSA-N 1 0 243.354 2.875 20 70 BFIDRO CC[N@H+](CCCCCO)Cc1cccc(F)c1 ZINC000160965022 349344539 /nfs/dbraw/zinc/34/45/39/349344539.db2.gz KGPZKYWSYTWJAC-UHFFFAOYSA-N 1 0 239.334 2.810 20 70 BFIDRO CC(C)(C)CCC[NH+]1CCN(C2CCC2)CC1 ZINC000218469667 350094465 /nfs/dbraw/zinc/09/44/65/350094465.db2.gz PCQQCRDBZVMRDN-UHFFFAOYSA-N 1 0 238.419 2.983 20 70 BFIDRO COC[C@@H]([NH2+]C[C@H]1CCc2ccccc21)C1CC1 ZINC000161009697 538097596 /nfs/dbraw/zinc/09/75/96/538097596.db2.gz UTEHEXBHYCTRRX-GDBMZVCRSA-N 1 0 245.366 2.731 20 70 BFIDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)C(C)(C)C ZINC000161143092 351082764 /nfs/dbraw/zinc/08/27/64/351082764.db2.gz NHMWPOJZSCWIAE-LLVKDONJSA-N 1 0 249.354 2.982 20 70 BFIDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)C1(C)CC1 ZINC000161143356 351082788 /nfs/dbraw/zinc/08/27/88/351082788.db2.gz DVWKSNKVXSTUNX-NSHDSACASA-N 1 0 247.338 2.736 20 70 BFIDRO C1=CC[C@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000159523288 351375265 /nfs/dbraw/zinc/37/52/65/351375265.db2.gz QQAVVJDNYBSUOY-AJNGGQMLSA-N 1 0 247.382 2.890 20 70 BFIDRO CCCC[C@@H](CC)CC(=O)N1CCC[C@H]1C[NH3+] ZINC000160219858 353260593 /nfs/dbraw/zinc/26/05/93/353260593.db2.gz YZCRQWMJANYJSO-OLZOCXBDSA-N 1 0 240.391 2.543 20 70 BFIDRO CCCC[C@H](CC)CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000160219724 353260628 /nfs/dbraw/zinc/26/06/28/353260628.db2.gz YZCRQWMJANYJSO-QWHCGFSZSA-N 1 0 240.391 2.543 20 70 BFIDRO CCC[C@@H](C)[N@H+](C)C[C@@H](O)C(C)(C)C ZINC000216931133 134179108 /nfs/dbraw/zinc/17/91/08/134179108.db2.gz LCGVFWBOHJKEGC-GHMZBOCLSA-N 1 0 201.354 2.514 20 70 BFIDRO C[C@@H]([N@H+](C)C[C@@H](O)C(C)(C)C)C(C)(C)C ZINC000216949652 357476077 /nfs/dbraw/zinc/47/60/77/357476077.db2.gz BYOFCTYQMAACOJ-GHMZBOCLSA-N 1 0 215.381 2.760 20 70 BFIDRO CCn1nccc1C[NH2+]Cc1ccc(C)c(F)c1 ZINC000159914605 538880446 /nfs/dbraw/zinc/88/04/46/538880446.db2.gz OQVWAOGCWLDFDM-UHFFFAOYSA-N 1 0 247.317 2.640 20 70 BFIDRO C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)C1(C)CC1 ZINC000159971327 361296065 /nfs/dbraw/zinc/29/60/65/361296065.db2.gz NIIFVGHBSRIWPE-MNOVXSKESA-N 1 0 211.349 2.722 20 70 BFIDRO CC[C@@H]([NH2+]CCC(C)(C)C)[C@@H]1CCCO1 ZINC000159756687 201690486 /nfs/dbraw/zinc/69/04/86/201690486.db2.gz GUSXOPCWWBMXQE-NEPJUHHUSA-N 1 0 213.365 2.970 20 70 BFIDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]CC1CC1 ZINC000159406081 384064529 /nfs/dbraw/zinc/06/45/29/384064529.db2.gz YKTLQYHXYCHSMJ-UHFFFAOYSA-N 1 0 246.398 2.897 20 70 BFIDRO C[C@H](O)C[N@H+](C)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000159535644 384338190 /nfs/dbraw/zinc/33/81/90/384338190.db2.gz CESSEOWOLYOLQS-IUCAKERBSA-N 1 0 245.725 2.853 20 70 BFIDRO Cn1ccc(C[N@H+](C)Cc2cccc(F)c2)c1 ZINC000160462107 384415912 /nfs/dbraw/zinc/41/59/12/384415912.db2.gz VCHRXLCHEHYUBB-UHFFFAOYSA-N 1 0 232.302 2.796 20 70 BFIDRO CCc1cc(=O)[nH]c(C[NH+]2CCCCCCC2)n1 ZINC000160497856 384416186 /nfs/dbraw/zinc/41/61/86/384416186.db2.gz SUOGPEADCCXTAP-UHFFFAOYSA-N 1 0 249.358 2.511 20 70 BFIDRO Cc1ccccc1C[N@H+](C)CC1=CCCOC1 ZINC000160526591 384417346 /nfs/dbraw/zinc/41/73/46/384417346.db2.gz XIVQJNICYIMLPG-UHFFFAOYSA-N 1 0 231.339 2.774 20 70 BFIDRO Cc1ccc(CN(C)CC[C@@H]2CCC[N@@H+]2C)o1 ZINC000161288498 384478835 /nfs/dbraw/zinc/47/88/35/384478835.db2.gz IKTQODATJDYTLW-ZDUSSCGKSA-N 1 0 236.359 2.504 20 70 BFIDRO C[C@@H]([NH2+]C(C1CC1)C1CC1)c1cscn1 ZINC000161173631 384885055 /nfs/dbraw/zinc/88/50/55/384885055.db2.gz HIHIHLWNSZJUSC-MRVPVSSYSA-N 1 0 222.357 2.982 20 70 BFIDRO CSC(C)(C)C[NH2+][C@H](C)c1cscn1 ZINC000161217632 384928486 /nfs/dbraw/zinc/92/84/86/384928486.db2.gz NNEOFTSITODGTC-MRVPVSSYSA-N 1 0 230.402 2.935 20 70 BFIDRO CC(C)[N@H+](CCc1nccs1)CC1CC1 ZINC000159844290 386357656 /nfs/dbraw/zinc/35/76/56/386357656.db2.gz NZDRMKNOKQEVOO-UHFFFAOYSA-N 1 0 224.373 2.806 20 70 BFIDRO Cc1cc(C)cc(CC[NH2+][C@H](C)[C@H]2CCOC2)c1 ZINC000159461893 177896687 /nfs/dbraw/zinc/89/66/87/177896687.db2.gz SWOASZKNFRPGNL-ZBFHGGJFSA-N 1 0 247.382 2.861 20 70 BFIDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CCC(C)(C)C ZINC000159378401 134772796 /nfs/dbraw/zinc/77/27/96/134772796.db2.gz YGDVNPOPDWIHCB-NEPJUHHUSA-N 1 0 213.365 2.658 20 70 BFIDRO C[C@@H]([NH2+]CCO)c1cc(Cl)sc1Cl ZINC000159693278 388027280 /nfs/dbraw/zinc/02/72/80/388027280.db2.gz XMXAVCMESHKXJS-RXMQYKEDSA-N 1 0 240.155 2.698 20 70 BFIDRO C(C[N@@H+]1CCC[C@H]1C1CCC1)OCC1CC1 ZINC000160454509 388067293 /nfs/dbraw/zinc/06/72/93/388067293.db2.gz CQVWXYIHBOBSSA-AWEZNQCLSA-N 1 0 223.360 2.678 20 70 BFIDRO CCC(CC)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000160449681 388067484 /nfs/dbraw/zinc/06/74/84/388067484.db2.gz ANSCHEKUNDWNGQ-LBPRGKRZSA-N 1 0 213.365 2.970 20 70 BFIDRO CCCC[C@H](C)[NH2+]CCN(C)[C@@H](C)CC ZINC000160107922 388046039 /nfs/dbraw/zinc/04/60/39/388046039.db2.gz GFLXKLLUKUXWSR-STQMWFEESA-N 1 0 214.397 2.885 20 70 BFIDRO CC[C@H]([NH2+]CC(C)(C)O)c1cccc(OC)c1 ZINC000160599027 133509451 /nfs/dbraw/zinc/50/94/51/133509451.db2.gz SFVVHFGCHWPXDA-ZDUSSCGKSA-N 1 0 237.343 2.507 20 70 BFIDRO Cc1cccc([C@H]2CCC[N@@H+]2CCCCCO)n1 ZINC000159721053 134789172 /nfs/dbraw/zinc/78/91/72/134789172.db2.gz KPGJLSHWQGPXOH-OAHLLOKOSA-N 1 0 248.370 2.690 20 70 BFIDRO CC(C)CC[C@H](NC(=O)CCC[NH3+])C(C)(C)C ZINC000160072963 166906143 /nfs/dbraw/zinc/90/61/43/166906143.db2.gz NIYDCBWVVCWNIM-LBPRGKRZSA-N 1 0 242.407 2.692 20 70 BFIDRO CC[C@H](CCO)[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000217700346 411152903 /nfs/dbraw/zinc/15/29/03/411152903.db2.gz JEMWFLCJHVGVRO-UPJWGTAASA-N 1 0 213.365 2.706 20 70 BFIDRO CCc1ncc(C[NH2+]C2(C)CCC2)s1 ZINC000160005966 172018940 /nfs/dbraw/zinc/01/89/40/172018940.db2.gz LNSFLNJXMUBIGC-UHFFFAOYSA-N 1 0 210.346 2.738 20 70 BFIDRO COCC[C@@H](C)[NH2+]CCc1c(C)cccc1C ZINC000160613112 174382866 /nfs/dbraw/zinc/38/28/66/174382866.db2.gz NLAQASIAWUYQTA-CQSZACIVSA-N 1 0 235.371 2.861 20 70 BFIDRO COc1cccc(CCC[N@H+](C)CC2CC2)c1 ZINC000159387105 175252185 /nfs/dbraw/zinc/25/21/85/175252185.db2.gz BLIIMNPRIOGCNE-UHFFFAOYSA-N 1 0 233.355 2.970 20 70 BFIDRO Cc1cc(C)cc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1 ZINC000159685397 323043865 /nfs/dbraw/zinc/04/38/65/323043865.db2.gz CPJQEWKVKYNALW-CVEARBPZSA-N 1 0 247.382 2.896 20 70 BFIDRO CC(C)[C@@H](C)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000161120134 323075862 /nfs/dbraw/zinc/07/58/62/323075862.db2.gz MXDLRLQVQURUDW-LLVKDONJSA-N 1 0 235.327 2.592 20 70 BFIDRO CC[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)C1CC1 ZINC000161148494 323149288 /nfs/dbraw/zinc/14/92/88/323149288.db2.gz SKZGKWCZZRXUPV-CYBMUJFWSA-N 1 0 247.338 2.736 20 70 BFIDRO C([NH2+]CC1C2CC3CC(C2)CC1C3)[C@@H]1CCOC1 ZINC000216901864 490414804 /nfs/dbraw/zinc/41/48/04/490414804.db2.gz GBYJCTBAGKCLGN-MGWQBKBZSA-N 1 0 249.398 2.685 20 70 BFIDRO CC[C@H](O)CC[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000217870779 535978723 /nfs/dbraw/zinc/97/87/23/535978723.db2.gz JWYYBRAPFNXYJZ-UPJWGTAASA-N 1 0 213.365 2.706 20 70 BFIDRO CC[C@@H](COC)[NH2+]CCCc1cccc(F)c1 ZINC000159808299 535761553 /nfs/dbraw/zinc/76/15/53/535761553.db2.gz QEASRIPULHNMLQ-AWEZNQCLSA-N 1 0 239.334 2.773 20 70 BFIDRO CC[C@H](CSC)[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000217327726 342920560 /nfs/dbraw/zinc/92/05/60/342920560.db2.gz SBDWJIVLWBSOSX-UTUOFQBUSA-N 1 0 231.405 2.675 20 70 BFIDRO CC[C@H](c1ccc(F)cc1F)[N@H+](C)C[C@@H](C)O ZINC000159371225 345428638 /nfs/dbraw/zinc/42/86/38/345428638.db2.gz BTLIFPGDHOOHMF-NOZJJQNGSA-N 1 0 243.297 2.729 20 70 BFIDRO CC[C@@H]1CCC[N@@H+]1Cc1cc(O)cc(F)c1 ZINC000159821455 345552705 /nfs/dbraw/zinc/55/27/05/345552705.db2.gz OGZMRBQMTLWGRJ-GFCCVEGCSA-N 1 0 223.291 2.906 20 70 BFIDRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC(C)(C)O ZINC000160603362 178948198 /nfs/dbraw/zinc/94/81/98/178948198.db2.gz XKZYTHJMIFYGDF-ZDUSSCGKSA-N 1 0 249.354 2.569 20 70 BFIDRO C[C@@H](O)C(C)(C)[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000161252763 346164640 /nfs/dbraw/zinc/16/46/40/346164640.db2.gz DUXWFEINRXPONG-UTUOFQBUSA-N 1 0 213.365 2.562 20 70 BFIDRO C[C@H]1C[C@H](C)[N@H+](Cc2cccc(O)c2)C1 ZINC000161297772 346167205 /nfs/dbraw/zinc/16/72/05/346167205.db2.gz IWPHKJRLIGFHKY-QWRGUYRKSA-N 1 0 205.301 2.623 20 70 BFIDRO CC[C@H]([NH2+]C1CCC1)c1ccc(F)cn1 ZINC000161332295 346169082 /nfs/dbraw/zinc/16/90/82/346169082.db2.gz ZHDMXKQCSYKBDF-NSHDSACASA-N 1 0 208.280 2.814 20 70 BFIDRO CC[C@H](CSC)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000217328351 346298455 /nfs/dbraw/zinc/29/84/55/346298455.db2.gz ODBNGNFRCYRMSB-GHMZBOCLSA-N 1 0 231.405 2.675 20 70 BFIDRO CC[C@@H](C)[N@H+](CC)CCC(=O)OC(C)(C)C ZINC000160219189 350710652 /nfs/dbraw/zinc/71/06/52/350710652.db2.gz QHVLJYULZAXFHO-LLVKDONJSA-N 1 0 229.364 2.839 20 70 BFIDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)C1(C)CC1 ZINC000161143491 351082740 /nfs/dbraw/zinc/08/27/40/351082740.db2.gz DVWKSNKVXSTUNX-LLVKDONJSA-N 1 0 247.338 2.736 20 70 BFIDRO CC[N@H+](CCNC(=O)CCC(C)(C)C)C(C)C ZINC000160174970 353375177 /nfs/dbraw/zinc/37/51/77/353375177.db2.gz MIRFKDVQOTXPTD-UHFFFAOYSA-N 1 0 242.407 2.659 20 70 BFIDRO CCSCC[N@H+](CC)Cc1ccoc1 ZINC000160247589 355692195 /nfs/dbraw/zinc/69/21/95/355692195.db2.gz XPGLGRDKDSZRBZ-UHFFFAOYSA-N 1 0 213.346 2.855 20 70 BFIDRO CC(C)[C@@H]1CC[N@H+](Cc2ccc(O)cc2)C1 ZINC000159473096 538877029 /nfs/dbraw/zinc/87/70/29/538877029.db2.gz BYEVCWXHGVZAGF-CYBMUJFWSA-N 1 0 219.328 2.870 20 70 BFIDRO CC[C@H]([NH2+]CCC(C)(C)C)[C@H]1CCCO1 ZINC000159756808 201690349 /nfs/dbraw/zinc/69/03/49/201690349.db2.gz GUSXOPCWWBMXQE-NWDGAFQWSA-N 1 0 213.365 2.970 20 70 BFIDRO CCOCCC[N@H+](C)CCc1ccc(F)cc1 ZINC000159562363 206090510 /nfs/dbraw/zinc/09/05/10/206090510.db2.gz JIEPDNFOAPBNHU-UHFFFAOYSA-N 1 0 239.334 2.727 20 70 BFIDRO CCC[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)O ZINC000160611971 169386866 /nfs/dbraw/zinc/38/68/66/169386866.db2.gz AFHBWJXYKRMCNK-AWEZNQCLSA-N 1 0 235.371 2.758 20 70 BFIDRO C[C@H](O)C[N@H+](C)[C@@H]1CCc2c1cccc2Cl ZINC000159553629 384342298 /nfs/dbraw/zinc/34/22/98/384342298.db2.gz AVNNWQKKLVQTLZ-TVQRCGJNSA-N 1 0 239.746 2.640 20 70 BFIDRO CC[C@H]1CC[N@H+](Cc2cc(O)cc(F)c2)C1 ZINC000159851843 384365867 /nfs/dbraw/zinc/36/58/67/384365867.db2.gz ZPKKSNOZHNPBCK-JTQLQIEISA-N 1 0 223.291 2.763 20 70 BFIDRO CC(C)(O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000160631420 384424221 /nfs/dbraw/zinc/42/42/21/384424221.db2.gz CUOAZDDIELIHNZ-HUUCEWRRSA-N 1 0 247.382 2.758 20 70 BFIDRO C[C@H](CCc1ccc(F)cc1)[NH2+]CC(C)(C)O ZINC000160656893 384424407 /nfs/dbraw/zinc/42/44/07/384424407.db2.gz ORWNGBDHDUTAAX-LLVKDONJSA-N 1 0 239.334 2.507 20 70 BFIDRO CC[C@H](CSC)Nc1cc[nH+]c(C)c1 ZINC000217383896 384435217 /nfs/dbraw/zinc/43/52/17/384435217.db2.gz ZIOIBQIOMIZBCC-SNVBAGLBSA-N 1 0 210.346 2.944 20 70 BFIDRO CCCCN(C(=O)[C@@H](C)[NH3+])[C@@H](C)c1ccccc1 ZINC000161355819 384483726 /nfs/dbraw/zinc/48/37/26/384483726.db2.gz QVRQNVYWVFNQNJ-OLZOCXBDSA-N 1 0 248.370 2.724 20 70 BFIDRO CCCCN(C(=O)[C@H](C)[NH3+])[C@@H](C)c1ccccc1 ZINC000161354301 384524658 /nfs/dbraw/zinc/52/46/58/384524658.db2.gz QVRQNVYWVFNQNJ-STQMWFEESA-N 1 0 248.370 2.724 20 70 BFIDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H]2CCCO2)n1 ZINC000160295032 384648880 /nfs/dbraw/zinc/64/88/80/384648880.db2.gz YREBPXWKIFAYKY-DZGCQCFKSA-N 1 0 246.354 2.706 20 70 BFIDRO CCc1ccc(C[N@H+](C)CC[C@H](C)O)s1 ZINC000161285057 387179234 /nfs/dbraw/zinc/17/92/34/387179234.db2.gz TWIYLQSOKOIXBK-JTQLQIEISA-N 1 0 227.373 2.513 20 70 BFIDRO CCc1ccc(C[N@H+](C)CC[C@@H](C)O)s1 ZINC000161284932 387179328 /nfs/dbraw/zinc/17/93/28/387179328.db2.gz TWIYLQSOKOIXBK-SNVBAGLBSA-N 1 0 227.373 2.513 20 70 BFIDRO CCOCCC[N@H+](C)[C@@H](C)c1ccco1 ZINC000159761313 388029200 /nfs/dbraw/zinc/02/92/00/388029200.db2.gz GAODXBLKCRWJAC-NSHDSACASA-N 1 0 211.305 2.699 20 70 BFIDRO CC(C)(C)CC(C)(C)[NH2+]CCn1ccnc1 ZINC000159804327 388031554 /nfs/dbraw/zinc/03/15/54/388031554.db2.gz GGYXDSHIVKEHAZ-UHFFFAOYSA-N 1 0 223.364 2.688 20 70 BFIDRO C[C@@]1([NH2+]CC2CCCCCC2)CCOC1 ZINC000160185283 388051251 /nfs/dbraw/zinc/05/12/51/388051251.db2.gz CMUXLZDIESGQHN-CYBMUJFWSA-N 1 0 211.349 2.725 20 70 BFIDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccncc1C ZINC000160593812 388078888 /nfs/dbraw/zinc/07/88/88/388078888.db2.gz VECKNZSECGPUCC-ZYHUDNBSSA-N 1 0 206.333 2.914 20 70 BFIDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccc(Cl)cc1 ZINC000160622510 388079506 /nfs/dbraw/zinc/07/95/06/388079506.db2.gz FWBWNMMAVVPTCT-VIFPVBQESA-N 1 0 227.735 2.589 20 70 BFIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(Cl)s1 ZINC000160624455 388079592 /nfs/dbraw/zinc/07/95/92/388079592.db2.gz XQHKXDVJAOFQJN-SSDOTTSWSA-N 1 0 233.764 2.651 20 70 BFIDRO CC[C@H](C)[C@@H](C)[NH2+]CCN(C)[C@@H](C)CC ZINC000160065358 388044940 /nfs/dbraw/zinc/04/49/40/388044940.db2.gz IYDDSGVYBTVGBE-RWMBFGLXSA-N 1 0 214.397 2.741 20 70 BFIDRO C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)C1(C)CC1 ZINC000159970912 134797085 /nfs/dbraw/zinc/79/70/85/134797085.db2.gz NIIFVGHBSRIWPE-WDEREUQCSA-N 1 0 211.349 2.722 20 70 BFIDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)CC(C)C ZINC000160086820 397949540 /nfs/dbraw/zinc/94/95/40/397949540.db2.gz SWOUMRHWAMKICP-STQMWFEESA-N 1 0 214.397 2.741 20 70 BFIDRO CC[C@H](C)C[N@H+](CC)[C@H](C(N)=O)c1ccccc1 ZINC000160538225 171278387 /nfs/dbraw/zinc/27/83/87/171278387.db2.gz RGJCMXWTXNVGTP-JSGCOSHPSA-N 1 0 248.370 2.581 20 70 BFIDRO C[NH+](C)C1(CNc2ccc(F)cn2)CCCC1 ZINC000161032079 172403480 /nfs/dbraw/zinc/40/34/80/172403480.db2.gz SJIHEHKJBBJWJZ-UHFFFAOYSA-N 1 0 237.322 2.507 20 70 BFIDRO COc1ccc(C[NH2+]C2(C)CCC2)cc1 ZINC000159994136 175105558 /nfs/dbraw/zinc/10/55/58/175105558.db2.gz ITTRAPWZXMGLFL-UHFFFAOYSA-N 1 0 205.301 2.727 20 70 BFIDRO C[C@@H]1CCC[N@H+](Cc2cc(O)cc(F)c2)C1 ZINC000159813466 176100271 /nfs/dbraw/zinc/10/02/71/176100271.db2.gz POBLFPHLVAJLNV-SNVBAGLBSA-N 1 0 223.291 2.763 20 70 BFIDRO C[C@H]1C[N@H+](Cc2cc(O)cc(F)c2)C[C@H]1C ZINC000159846891 176300904 /nfs/dbraw/zinc/30/09/04/176300904.db2.gz JYHXBZAXRAVEFG-AOOOYVTPSA-N 1 0 223.291 2.619 20 70 BFIDRO CC[C@@H](COC)[NH2+]CCc1cc(C)cc(C)c1 ZINC000159508348 323001066 /nfs/dbraw/zinc/00/10/66/323001066.db2.gz HEIVOJRZMQMKHA-HNNXBMFYSA-N 1 0 235.371 2.861 20 70 BFIDRO CC[C@@H](C)C[N@H+](C)Cc1cnc2ccccn12 ZINC000160339427 323065039 /nfs/dbraw/zinc/06/50/39/323065039.db2.gz CWLLULOAVAOBLU-GFCCVEGCSA-N 1 0 231.343 2.812 20 70 BFIDRO COc1ccccc1CN(C)Cc1cncs1 ZINC000160415070 323066145 /nfs/dbraw/zinc/06/61/45/323066145.db2.gz IFXWFGWIWIFEBB-UHFFFAOYSA-N 1 0 248.351 2.784 20 70 BFIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)NC(C)(C)C ZINC000160522068 323069989 /nfs/dbraw/zinc/06/99/89/323069989.db2.gz HTBVNNYXQSNTDP-NEPJUHHUSA-N 1 0 242.407 2.658 20 70 BFIDRO Cc1cc(C[NH2+]C(C)(C)[C@@H](C)O)c(C)s1 ZINC000160602871 323073456 /nfs/dbraw/zinc/07/34/56/323073456.db2.gz FTUIXZKLCVKRSW-SNVBAGLBSA-N 1 0 227.373 2.614 20 70 BFIDRO CC(C)n1ccnc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000160675007 323102494 /nfs/dbraw/zinc/10/24/94/323102494.db2.gz PCJAPGFKHPQIBR-STQMWFEESA-N 1 0 235.375 2.942 20 70 BFIDRO C[C@H]([NH2+]C[C@H]1CCCS1)c1cscn1 ZINC000161223149 323469766 /nfs/dbraw/zinc/46/97/66/323469766.db2.gz QSDQHCTUCQJVQP-DTWKUNHWSA-N 1 0 228.386 2.689 20 70 BFIDRO C[C@@H](O)C[N@H+](C)Cc1cc2ccccc2s1 ZINC000159528821 488047474 /nfs/dbraw/zinc/04/74/74/488047474.db2.gz YFRINRXBZNGUKL-SNVBAGLBSA-N 1 0 235.352 2.714 20 70 BFIDRO CC[C@H](C)[N@H+](CC)C[C@@H](O)C(C)(C)C ZINC000216908380 490415470 /nfs/dbraw/zinc/41/54/70/490415470.db2.gz FNVNBLFWRKFOTF-WDEREUQCSA-N 1 0 201.354 2.514 20 70 BFIDRO C[N@H+](CCC1CCCC1)C[C@H]1CCCO1 ZINC000160273187 536320384 /nfs/dbraw/zinc/32/03/84/536320384.db2.gz RNXOMBHYGGIHNB-CYBMUJFWSA-N 1 0 211.349 2.678 20 70 BFIDRO CC(C)C[N@H+](C[C@@H](C)CO)C1CCCC1 ZINC000160933975 538913377 /nfs/dbraw/zinc/91/33/77/538913377.db2.gz KVAVHYRZIYPBPV-GFCCVEGCSA-N 1 0 213.365 2.515 20 70 BFIDRO CC(C)[N@@H+](Cc1cccs1)C[C@H](C)CO ZINC000160931403 537880813 /nfs/dbraw/zinc/88/08/13/537880813.db2.gz CRYNAYHCWJKFDJ-NSHDSACASA-N 1 0 227.373 2.587 20 70 BFIDRO CC[N@H+](CCC1CCCC1)Cc1cnn(C)c1 ZINC000160096607 345796437 /nfs/dbraw/zinc/79/64/37/345796437.db2.gz FEYJGYXTVWNOAS-UHFFFAOYSA-N 1 0 235.375 2.822 20 70 BFIDRO CCSCC[C@H](C)[NH2+][C@H]1CCCOCC1 ZINC000161463016 346212254 /nfs/dbraw/zinc/21/22/54/346212254.db2.gz ANXQUNRSDOPUQS-RYUDHWBXSA-N 1 0 231.405 2.677 20 70 BFIDRO C(C[N@@H+]1CC[C@H](N2CCCC2)C1)C1CCCC1 ZINC000160336398 347398185 /nfs/dbraw/zinc/39/81/85/347398185.db2.gz WYWAFQZVGFDABO-HNNXBMFYSA-N 1 0 236.403 2.737 20 70 BFIDRO CC1(C)CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160384094 347873697 /nfs/dbraw/zinc/87/36/97/347873697.db2.gz XDLVNKJASJZUPF-UHFFFAOYSA-N 1 0 243.354 2.956 20 70 BFIDRO Cc1ccccc1[C@H](NC(=O)CCC[NH3+])C(C)C ZINC000159690691 179343259 /nfs/dbraw/zinc/34/32/59/179343259.db2.gz SAAVKXXUESFBET-OAHLLOKOSA-N 1 0 248.370 2.547 20 70 BFIDRO CCCC[N@H+](CCOC)Cc1ccc(C)cn1 ZINC000161207221 349398542 /nfs/dbraw/zinc/39/85/42/349398542.db2.gz AVWJTPDBPGUDQE-UHFFFAOYSA-N 1 0 236.359 2.639 20 70 BFIDRO CCSCC[N@H+](C)C(C1CC1)C1CC1 ZINC000159866971 351015190 /nfs/dbraw/zinc/01/51/90/351015190.db2.gz BIMJBLRCRICRDH-UHFFFAOYSA-N 1 0 213.390 2.860 20 70 BFIDRO C[C@@H]1CC[N@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000216685249 491090211 /nfs/dbraw/zinc/09/02/11/491090211.db2.gz RZYHGQYXKSCGDF-SNVBAGLBSA-N 1 0 236.384 2.864 20 70 BFIDRO CC(C)[N@@H+](Cc1cccs1)C[C@@H](C)CO ZINC000160931252 538456160 /nfs/dbraw/zinc/45/61/60/538456160.db2.gz CRYNAYHCWJKFDJ-LLVKDONJSA-N 1 0 227.373 2.587 20 70 BFIDRO CCc1ncc(C[NH2+][C@@H](C)C2CCC2)s1 ZINC000160180604 538883683 /nfs/dbraw/zinc/88/36/83/538883683.db2.gz OJRFTWZPKHBGAK-VIFPVBQESA-N 1 0 224.373 2.984 20 70 BFIDRO CCCC[C@H](C(=O)OC)[N@H+](C)CCC(C)C ZINC000160797584 358642808 /nfs/dbraw/zinc/64/28/08/358642808.db2.gz YJOBBKFGZZMFLX-GFCCVEGCSA-N 1 0 229.364 2.696 20 70 BFIDRO CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)CCC(C)(C)C ZINC000159768146 361288252 /nfs/dbraw/zinc/28/82/52/361288252.db2.gz SRQZPEMSWRQNDV-NEPJUHHUSA-N 1 0 242.407 2.691 20 70 BFIDRO CC[C@H](C)C[NH2+]Cc1cc(O)cc(F)c1 ZINC000159600485 361260550 /nfs/dbraw/zinc/26/05/50/361260550.db2.gz DQOJBKHCVGOOEB-VIFPVBQESA-N 1 0 211.280 2.667 20 70 BFIDRO CCC[N@H+](C)CCCc1cccc(OC)c1 ZINC000159778422 169077327 /nfs/dbraw/zinc/07/73/27/169077327.db2.gz ANEBXGQFGOUCGA-UHFFFAOYSA-N 1 0 221.344 2.970 20 70 BFIDRO CCC[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000160745260 169287203 /nfs/dbraw/zinc/28/72/03/169287203.db2.gz NFKWUICMWYSWNU-YPMHNXCESA-N 1 0 207.317 2.762 20 70 BFIDRO Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)o1 ZINC000159636067 384346454 /nfs/dbraw/zinc/34/64/54/384346454.db2.gz VBVGNZFJIPSXRC-MJBXVCDLSA-N 1 0 247.338 2.635 20 70 BFIDRO CC[C@@H]([NH2+]CCC(C)(C)O)c1nc(C)cs1 ZINC000159662419 384347716 /nfs/dbraw/zinc/34/77/16/384347716.db2.gz MZOUAOGSPKZPSS-SNVBAGLBSA-N 1 0 242.388 2.653 20 70 BFIDRO CC(C)(O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000160612474 384421582 /nfs/dbraw/zinc/42/15/82/384421582.db2.gz UAGXLSNMPQFLAH-ZIAGYGMSSA-N 1 0 233.355 2.683 20 70 BFIDRO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccco1 ZINC000161092929 384464744 /nfs/dbraw/zinc/46/47/44/384464744.db2.gz QTKUCEQYSIPTIF-AVGNSLFASA-N 1 0 236.359 2.803 20 70 BFIDRO CN(CCC[NH+]1CCCCC1)Cc1ccco1 ZINC000161221152 384476172 /nfs/dbraw/zinc/47/61/72/384476172.db2.gz RPJJVMRGDWGQEA-UHFFFAOYSA-N 1 0 236.359 2.587 20 70 BFIDRO CCOCC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160158309 384646324 /nfs/dbraw/zinc/64/63/24/384646324.db2.gz JXLWSHGIISWTMI-CQSZACIVSA-N 1 0 234.343 2.563 20 70 BFIDRO C[C@]1(O)CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000161012679 384828740 /nfs/dbraw/zinc/82/87/40/384828740.db2.gz DZDCBCUCOMLUSB-NSHDSACASA-N 1 0 245.775 2.748 20 70 BFIDRO CSC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000161452841 385066393 /nfs/dbraw/zinc/06/63/93/385066393.db2.gz WDGGLCNOVQIENW-BDAKNGLRSA-N 1 0 228.336 2.623 20 70 BFIDRO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](O)C1 ZINC000217237911 385879733 /nfs/dbraw/zinc/87/97/33/385879733.db2.gz LGVBWOMLRSHCLR-ZIAGYGMSSA-N 1 0 237.318 2.734 20 70 BFIDRO C[C@@H](CCC1CCCCC1)NC(=O)C(C)(C)[NH3+] ZINC000160914273 386539208 /nfs/dbraw/zinc/53/92/08/386539208.db2.gz VTSIFMBUMWKPPZ-NSHDSACASA-N 1 0 240.391 2.589 20 70 BFIDRO CCOCC[NH2+]Cc1cc(Cl)ccc1F ZINC000160027875 388043833 /nfs/dbraw/zinc/04/38/33/388043833.db2.gz GGQNAKNZBVTUBW-UHFFFAOYSA-N 1 0 231.698 2.605 20 70 BFIDRO C[C@]1([NH2+]CC2CCCCCC2)CCOC1 ZINC000160185137 388051422 /nfs/dbraw/zinc/05/14/22/388051422.db2.gz CMUXLZDIESGQHN-ZDUSSCGKSA-N 1 0 211.349 2.725 20 70 BFIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1cccs1 ZINC000160208302 388052696 /nfs/dbraw/zinc/05/26/96/388052696.db2.gz ABECPGCRJUGVBO-NXEZZACHSA-N 1 0 245.413 2.513 20 70 BFIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1cccs1 ZINC000160208074 388053273 /nfs/dbraw/zinc/05/32/73/388053273.db2.gz ABECPGCRJUGVBO-ZJUUUORDSA-N 1 0 245.413 2.513 20 70 BFIDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000160280654 388057096 /nfs/dbraw/zinc/05/70/96/388057096.db2.gz SMFQOYMVFMMRLM-OAHLLOKOSA-N 1 0 248.370 2.599 20 70 BFIDRO C[C@@H]1CC[N@H+](Cc2cnc3ccccn23)[C@H](C)C1 ZINC000160564050 388074619 /nfs/dbraw/zinc/07/46/19/388074619.db2.gz USDNTHUZNQTIQN-CHWSQXEVSA-N 1 0 243.354 2.955 20 70 BFIDRO Cc1cnccc1C[NH2+][C@@H]1CCC[C@H]1C ZINC000160601558 388077981 /nfs/dbraw/zinc/07/79/81/388077981.db2.gz WEXJEKLHDKBPJE-ZWNOBZJWSA-N 1 0 204.317 2.668 20 70 BFIDRO Cc1cnccc1C[NH2+]Cc1cccs1 ZINC000160597472 388078692 /nfs/dbraw/zinc/07/86/92/388078692.db2.gz XMKKIDXFBSBEEF-UHFFFAOYSA-N 1 0 218.325 2.741 20 70 BFIDRO CCC[C@H](C)[C@H](CC)[NH2+]CC(C)(C)O ZINC000160628750 388079179 /nfs/dbraw/zinc/07/91/79/388079179.db2.gz SDWBNARUMQJISW-QWRGUYRKSA-N 1 0 201.354 2.562 20 70 BFIDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccc(Cl)s1 ZINC000160624356 388080204 /nfs/dbraw/zinc/08/02/04/388080204.db2.gz XQHKXDVJAOFQJN-ZETCQYMHSA-N 1 0 233.764 2.651 20 70 BFIDRO CC[C@H](C)N(C)CC[NH2+][C@@H](CC)C(C)C ZINC000160124971 388046359 /nfs/dbraw/zinc/04/63/59/388046359.db2.gz NMWVUPFOYIONCM-STQMWFEESA-N 1 0 214.397 2.741 20 70 BFIDRO CCSCC[C@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000161462794 133514282 /nfs/dbraw/zinc/51/42/82/133514282.db2.gz ANXQUNRSDOPUQS-NWDGAFQWSA-N 1 0 231.405 2.677 20 70 BFIDRO c1c[nH]c(C[NH2+]CC2C3CC4CC(C3)CC2C4)n1 ZINC000216855915 134159503 /nfs/dbraw/zinc/15/95/03/134159503.db2.gz VGTDGRCURLFSAL-UHFFFAOYSA-N 1 0 245.370 2.572 20 70 BFIDRO COCCC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160281262 134813026 /nfs/dbraw/zinc/81/30/26/134813026.db2.gz AMNQGGMJCOCXRT-CQSZACIVSA-N 1 0 234.343 2.563 20 70 BFIDRO C[C@@H]([NH2+]CCC(C)(C)O)[C@H](C)c1ccccc1 ZINC000159610854 397764598 /nfs/dbraw/zinc/76/45/98/397764598.db2.gz BVBPCUBYVYUBOI-QWHCGFSZSA-N 1 0 235.371 2.929 20 70 BFIDRO CC[C@H](CCO)[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000217700156 411515019 /nfs/dbraw/zinc/51/50/19/411515019.db2.gz JEMWFLCJHVGVRO-JHJVBQTASA-N 1 0 213.365 2.706 20 70 BFIDRO C[C@H]1CC[N@H+](CCOCc2ccccc2)C1 ZINC000217779553 411539714 /nfs/dbraw/zinc/53/97/14/411539714.db2.gz INGMJGQYSFKUNV-ZDUSSCGKSA-N 1 0 219.328 2.545 20 70 BFIDRO C[C@@H]1CCCC[N@@H+]1Cc1cc(O)cc(F)c1 ZINC000159812438 176073217 /nfs/dbraw/zinc/07/32/17/176073217.db2.gz RLJSSYDANHEIOU-SNVBAGLBSA-N 1 0 223.291 2.906 20 70 BFIDRO C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](N(C)C)C1 ZINC000217139547 177038987 /nfs/dbraw/zinc/03/89/87/177038987.db2.gz KXMNBJNSFZOWQM-UKRRQHHQSA-N 1 0 232.371 2.774 20 70 BFIDRO CCC[N@@H+](Cc1cnc2ccccn12)CC1CC1 ZINC000160420939 323066260 /nfs/dbraw/zinc/06/62/60/323066260.db2.gz CWLHDVIHPPZYKX-UHFFFAOYSA-N 1 0 243.354 2.956 20 70 BFIDRO CCCCNC(=O)[C@H](C)[N@H+](CC)C[C@@H](C)CC ZINC000160548165 323070417 /nfs/dbraw/zinc/07/04/17/323070417.db2.gz BTBMLECFSSNPBQ-STQMWFEESA-N 1 0 242.407 2.659 20 70 BFIDRO Cc1ccc(C[N@@H+](C)Cc2ccn(C)c2)o1 ZINC000160854614 323075760 /nfs/dbraw/zinc/07/57/60/323075760.db2.gz KWAOZJGUOSRSRT-UHFFFAOYSA-N 1 0 218.300 2.559 20 70 BFIDRO C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)[C@@H]1CCOC1 ZINC000160965529 323140808 /nfs/dbraw/zinc/14/08/08/323140808.db2.gz UVBROUIMPMNXAZ-AEGPPILISA-N 1 0 245.366 2.731 20 70 BFIDRO COC[C@H]([NH2+]C[C@H]1CCc2ccccc21)C(C)C ZINC000160993057 323142663 /nfs/dbraw/zinc/14/26/63/323142663.db2.gz YWMMHKAICHAUSK-ZBFHGGJFSA-N 1 0 247.382 2.977 20 70 BFIDRO CC[C@@H](C)[C@@H](C)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000161114585 323147656 /nfs/dbraw/zinc/14/76/56/323147656.db2.gz YYENBSUFPIMEJC-VXGBXAGGSA-N 1 0 249.354 2.982 20 70 BFIDRO CC[C@H]([NH2+]CCc1ccc2c(c1)OCO2)C1CC1 ZINC000161148370 323149362 /nfs/dbraw/zinc/14/93/62/323149362.db2.gz SKZGKWCZZRXUPV-ZDUSSCGKSA-N 1 0 247.338 2.736 20 70 BFIDRO CCc1nc(C2([NH2+]C3CCCC3)CCCC2)no1 ZINC000161380040 323503085 /nfs/dbraw/zinc/50/30/85/323503085.db2.gz PKEGRZQCSGXYFI-UHFFFAOYSA-N 1 0 249.358 2.934 20 70 BFIDRO CCC[C@H](C)[N@H+](C)C[C@@H](O)C(C)(C)C ZINC000216931153 535629850 /nfs/dbraw/zinc/62/98/50/535629850.db2.gz LCGVFWBOHJKEGC-WDEREUQCSA-N 1 0 201.354 2.514 20 70 BFIDRO FCC[NH+]1CCC(c2ccccc2)CC1 ZINC000218268540 582716661 /nfs/dbraw/zinc/71/66/61/582716661.db2.gz DSPMQPGFJOEZOK-UHFFFAOYSA-N 1 0 207.292 2.836 20 70 BFIDRO C[C@@H](C[NH2+][C@@H](C)c1cscn1)C1CC1 ZINC000161175522 538914880 /nfs/dbraw/zinc/91/48/80/538914880.db2.gz OAJWBGQCGADXLH-IUCAKERBSA-N 1 0 210.346 2.840 20 70 BFIDRO COC[C@H]([NH2+]C[C@@H]1CCc2ccccc21)C1CC1 ZINC000161009380 538913775 /nfs/dbraw/zinc/91/37/75/538913775.db2.gz UTEHEXBHYCTRRX-HOCLYGCPSA-N 1 0 245.366 2.731 20 70 BFIDRO CC(C)(O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000160631678 187301470 /nfs/dbraw/zinc/30/14/70/187301470.db2.gz CUOAZDDIELIHNZ-LSDHHAIUSA-N 1 0 247.382 2.758 20 70 BFIDRO CC(C)c1nc(CN2CC[C@@H]3CCCC[C@@H]32)no1 ZINC000159705924 345489543 /nfs/dbraw/zinc/48/95/43/345489543.db2.gz LEVLLFQLBNUTSK-RYUDHWBXSA-N 1 0 249.358 2.958 20 70 BFIDRO CCc1cccc(N(C)CC2CC[NH2+]CC2)c1 ZINC000216731890 345743337 /nfs/dbraw/zinc/74/33/37/345743337.db2.gz JHNYXDOBHXLRPQ-UHFFFAOYSA-N 1 0 232.371 2.685 20 70 BFIDRO CCOCCC1(C[NH2+][C@@H](C)CCOC)CCC1 ZINC000159980656 345769654 /nfs/dbraw/zinc/76/96/54/345769654.db2.gz RGUGDJGIJAZGGN-ZDUSSCGKSA-N 1 0 243.391 2.598 20 70 BFIDRO CC[C@H]([NH2+]CC1CC1)c1ccc(F)cn1 ZINC000161305428 346167887 /nfs/dbraw/zinc/16/78/87/346167887.db2.gz AWXPRYKYULZFON-NSHDSACASA-N 1 0 208.280 2.671 20 70 BFIDRO CC[C@H]([NH2+]CC(C)C)c1ccc(F)cn1 ZINC000161304369 346168166 /nfs/dbraw/zinc/16/81/66/346168166.db2.gz BIEBRZVRRDWQKY-NSHDSACASA-N 1 0 210.296 2.917 20 70 BFIDRO CC[C@@H]([NH2+]CC1CC1)c1ccc(F)cn1 ZINC000161305569 346168345 /nfs/dbraw/zinc/16/83/45/346168345.db2.gz AWXPRYKYULZFON-LLVKDONJSA-N 1 0 208.280 2.671 20 70 BFIDRO CC1(C)CCC[N@@H+]1Cc1cc(O)cc(F)c1 ZINC000159839785 346432094 /nfs/dbraw/zinc/43/20/94/346432094.db2.gz VWPOYVJZZYXKDO-UHFFFAOYSA-N 1 0 223.291 2.906 20 70 BFIDRO Cc1n[nH]c(C)c1C[N@@H+](C)Cc1ccccc1C ZINC000160529124 179269701 /nfs/dbraw/zinc/26/97/01/179269701.db2.gz RIFIJSLSQVCBON-UHFFFAOYSA-N 1 0 243.354 2.967 20 70 BFIDRO C[C@H]1CC[C@H](C)[N@H+](Cc2cnc3ccccn23)C1 ZINC000160897979 349336051 /nfs/dbraw/zinc/33/60/51/349336051.db2.gz JSMXIRBUIPCZEH-STQMWFEESA-N 1 0 243.354 2.955 20 70 BFIDRO CCC[N@H+](CCC[NH+]1CCCCC1)CC1CC1 ZINC000161221568 349401631 /nfs/dbraw/zinc/40/16/31/349401631.db2.gz QEUFZIMFKAIXSI-UHFFFAOYSA-N 1 0 238.419 2.984 20 70 BFIDRO C([NH2+]C1CCCCC1)[C@@H]1COC2(CCCC2)O1 ZINC000218363285 350090571 /nfs/dbraw/zinc/09/05/71/350090571.db2.gz KSOSWINQIXRKKF-CYBMUJFWSA-N 1 0 239.359 2.594 20 70 BFIDRO C([NH2+]C1CCCCC1)[C@H]1COC2(CCCC2)O1 ZINC000218363333 350091184 /nfs/dbraw/zinc/09/11/84/350091184.db2.gz KSOSWINQIXRKKF-ZDUSSCGKSA-N 1 0 239.359 2.594 20 70 BFIDRO CC[C@@H](C)[N@H+](CC)C[C@@H](O)C(C)(C)C ZINC000216908353 490415410 /nfs/dbraw/zinc/41/54/10/490415410.db2.gz FNVNBLFWRKFOTF-GHMZBOCLSA-N 1 0 201.354 2.514 20 70 BFIDRO CC(C)C[C@H]1CCC[N@@H+]1CCOCC1CC1 ZINC000159937208 535327800 /nfs/dbraw/zinc/32/78/00/535327800.db2.gz NPBXMEYNTDNGPL-CQSZACIVSA-N 1 0 225.376 2.924 20 70 BFIDRO C[C@@H]1CCC[N@H+](C[C@@H](O)C(C)(C)C)CC1 ZINC000216830144 134159314 /nfs/dbraw/zinc/15/93/14/134159314.db2.gz TUTNJJAZWIEFDR-VXGBXAGGSA-N 1 0 213.365 2.515 20 70 BFIDRO CC(C)OCC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000217617497 134249679 /nfs/dbraw/zinc/24/96/79/134249679.db2.gz IEDNMTVWHAYOBA-FRRDWIJNSA-N 1 0 213.365 2.826 20 70 BFIDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1CCC(C)(C)C ZINC000159378649 361232344 /nfs/dbraw/zinc/23/23/44/361232344.db2.gz YGDVNPOPDWIHCB-VXGBXAGGSA-N 1 0 213.365 2.658 20 70 BFIDRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)CCC(C)(C)C ZINC000159767879 361289008 /nfs/dbraw/zinc/28/90/08/361289008.db2.gz SRQZPEMSWRQNDV-RYUDHWBXSA-N 1 0 242.407 2.691 20 70 BFIDRO Fc1cncc(C[NH2+]Cc2cccs2)c1 ZINC000160124634 361300588 /nfs/dbraw/zinc/30/05/88/361300588.db2.gz LCVKLRCLRDVEOO-UHFFFAOYSA-N 1 0 222.288 2.572 20 70 BFIDRO c1csc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159519646 384336915 /nfs/dbraw/zinc/33/69/15/384336915.db2.gz UWMCRAAQCDWFQV-UPJWGTAASA-N 1 0 249.379 2.795 20 70 BFIDRO Cc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)o1 ZINC000159636229 384345922 /nfs/dbraw/zinc/34/59/22/384345922.db2.gz VBVGNZFJIPSXRC-IHRRRGAJSA-N 1 0 247.338 2.635 20 70 BFIDRO CC[C@H]([NH3+])C(=O)N[C@H](c1ccccc1C)C(C)C ZINC000159689814 384347055 /nfs/dbraw/zinc/34/70/55/384347055.db2.gz VBTKOTBECWUCAM-KBPBESRZSA-N 1 0 248.370 2.546 20 70 BFIDRO c1cn(CC[N@@H+]2CCC[C@H]2c2ccccc2)cn1 ZINC000159692788 384352188 /nfs/dbraw/zinc/35/21/88/384352188.db2.gz GMYTVMHGCGMZAN-HNNXBMFYSA-N 1 0 241.338 2.720 20 70 BFIDRO COc1ccc(C[N@H+](C)Cc2ccn(C)c2)cc1 ZINC000159857578 384365486 /nfs/dbraw/zinc/36/54/86/384365486.db2.gz DOWCMIVJXNFPNN-UHFFFAOYSA-N 1 0 244.338 2.666 20 70 BFIDRO C[C@@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1ccccn1 ZINC000159383904 384324807 /nfs/dbraw/zinc/32/48/07/384324807.db2.gz UDHCEEYOYOILQK-RJZRQDKASA-N 1 0 246.354 2.690 20 70 BFIDRO C[C@H](O)C[N@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC000159385505 384328007 /nfs/dbraw/zinc/32/80/07/384328007.db2.gz XONFPJFWBWIZIN-IINYFYTJSA-N 1 0 237.318 2.516 20 70 BFIDRO CC[C@H](CSC)[NH2+]Cc1cnccc1C ZINC000217328469 384493150 /nfs/dbraw/zinc/49/31/50/384493150.db2.gz HLIJIAPWWFBSRS-GFCCVEGCSA-N 1 0 224.373 2.621 20 70 BFIDRO CC[C@](C)(O)C[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000161348653 384974452 /nfs/dbraw/zinc/97/44/52/384974452.db2.gz CCPVDJQLNUVSPB-OLZOCXBDSA-N 1 0 213.365 2.515 20 70 BFIDRO CC[C@](C)(O)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000161120808 385261181 /nfs/dbraw/zinc/26/11/81/385261181.db2.gz WOZKMKVLFRKDEW-GJZGRUSLSA-N 1 0 237.387 2.970 20 70 BFIDRO CCC[N@H+](CCO)CC1CCCCCC1 ZINC000161230521 387157599 /nfs/dbraw/zinc/15/75/99/387157599.db2.gz POJOHGSUBGDPBO-UHFFFAOYSA-N 1 0 213.365 2.661 20 70 BFIDRO CCC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000161350419 387204581 /nfs/dbraw/zinc/20/45/81/387204581.db2.gz MVZWGPUFLFZVLZ-ZDUSSCGKSA-N 1 0 204.317 2.922 20 70 BFIDRO CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]1CCCO1 ZINC000159756550 388029707 /nfs/dbraw/zinc/02/97/07/388029707.db2.gz GUSXOPCWWBMXQE-RYUDHWBXSA-N 1 0 213.365 2.970 20 70 BFIDRO CCOCCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000159809212 388031259 /nfs/dbraw/zinc/03/12/59/388031259.db2.gz WSNFGQJUTYVATC-HNNXBMFYSA-N 1 0 233.355 2.903 20 70 BFIDRO CCOCCC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000160456400 388066460 /nfs/dbraw/zinc/06/64/60/388066460.db2.gz WQADQMABYACJJB-CYBMUJFWSA-N 1 0 211.349 2.678 20 70 BFIDRO CC(C)C[N@H+](CCC[NH+]1CCCCC1)C1CC1 ZINC000160544002 388072964 /nfs/dbraw/zinc/07/29/64/388072964.db2.gz XOAFWHUYWVZRIA-UHFFFAOYSA-N 1 0 238.419 2.983 20 70 BFIDRO Cc1cnccc1C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000160600410 388077840 /nfs/dbraw/zinc/07/78/40/388077840.db2.gz LGGVDZAQAGEGRT-GXFFZTMASA-N 1 0 204.317 2.668 20 70 BFIDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)O ZINC000160623059 388080217 /nfs/dbraw/zinc/08/02/17/388080217.db2.gz LAUILRKITUKNHZ-NEPJUHHUSA-N 1 0 213.365 2.706 20 70 BFIDRO CC[C@H](C)[C@H](C)[NH2+]CCN(C)[C@@H](C)CC ZINC000160065635 388045066 /nfs/dbraw/zinc/04/50/66/388045066.db2.gz IYDDSGVYBTVGBE-AVGNSLFASA-N 1 0 214.397 2.741 20 70 BFIDRO CC(C)C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159444565 397946552 /nfs/dbraw/zinc/94/65/52/397946552.db2.gz KYICORGTRQDQEL-INIZCTEOSA-N 1 0 245.366 2.816 20 70 BFIDRO CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161423737 170772638 /nfs/dbraw/zinc/77/26/38/170772638.db2.gz MOEODTZPBYTKEY-NFAWXSAZSA-N 1 0 235.371 2.787 20 70 BFIDRO CC[C@H](Cc1ccc(C)cc1)[NH2+]CC(C)(C)O ZINC000160608478 171469619 /nfs/dbraw/zinc/46/96/19/171469619.db2.gz ZAOVPNSCTZSDEN-CQSZACIVSA-N 1 0 235.371 2.677 20 70 BFIDRO C[C@@H](c1ccccc1F)[N@H+](C)CCn1ccnc1 ZINC000161425126 176025473 /nfs/dbraw/zinc/02/54/73/176025473.db2.gz IDNQNROPOKLDGU-LBPRGKRZSA-N 1 0 247.317 2.715 20 70 BFIDRO C[C@@H](c1cccs1)[N@H+](C)CCn1ccnc1 ZINC000159756817 176033291 /nfs/dbraw/zinc/03/32/91/176033291.db2.gz PAZPZQVUJFKFMS-NSHDSACASA-N 1 0 235.356 2.638 20 70 BFIDRO CCSCCn1c(C)[nH+]c2c1CCCC2 ZINC000160735844 323104259 /nfs/dbraw/zinc/10/42/59/323104259.db2.gz DFFUYCLNYGNZOD-UHFFFAOYSA-N 1 0 224.373 2.823 20 70 BFIDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cnc2ccccn12 ZINC000160954794 323140089 /nfs/dbraw/zinc/14/00/89/323140089.db2.gz VXFHBMFPJUNGNZ-NWDGAFQWSA-N 1 0 229.327 2.565 20 70 BFIDRO COC[C@@H]([NH2+]C[C@H]1CCc2ccccc21)C(C)C ZINC000160992933 323142720 /nfs/dbraw/zinc/14/27/20/323142720.db2.gz YWMMHKAICHAUSK-GDBMZVCRSA-N 1 0 247.382 2.977 20 70 BFIDRO C[C@@H]([NH2+]CCc1ccco1)c1cscn1 ZINC000161138992 323148955 /nfs/dbraw/zinc/14/89/55/323148955.db2.gz PSPVXNRGDDHWGY-SECBINFHSA-N 1 0 222.313 2.629 20 70 BFIDRO CC[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)C(C)C ZINC000161136758 323149083 /nfs/dbraw/zinc/14/90/83/323149083.db2.gz JFZPRJRTQCKPEQ-CYBMUJFWSA-N 1 0 249.354 2.982 20 70 BFIDRO CCN1CCCC[C@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000161170359 323149710 /nfs/dbraw/zinc/14/97/10/323149710.db2.gz GJWJLSXEAPNJAM-AWEZNQCLSA-N 1 0 236.403 2.639 20 70 BFIDRO Cc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)O)CCCO2 ZINC000160622432 487970073 /nfs/dbraw/zinc/97/00/73/487970073.db2.gz VZGNOFRMYJVBSO-ZDUSSCGKSA-N 1 0 249.354 2.569 20 70 BFIDRO CC(C)(C)CCCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161477299 487499594 /nfs/dbraw/zinc/49/95/94/487499594.db2.gz ILDHFHKAIWPGRR-VXGBXAGGSA-N 1 0 240.391 2.589 20 70 BFIDRO Cc1cnccc1C[NH2+]C1CCCCC1 ZINC000160590023 491078808 /nfs/dbraw/zinc/07/88/08/491078808.db2.gz NQQJLDODDGEBBC-UHFFFAOYSA-N 1 0 204.317 2.812 20 70 BFIDRO CC[C@H](O)CC[NH2+]CCC1CCCCC1 ZINC000218765019 535977180 /nfs/dbraw/zinc/97/71/80/535977180.db2.gz ZGGHZTFHWJXPIJ-ZDUSSCGKSA-N 1 0 213.365 2.707 20 70 BFIDRO COC(C[NH+](CCC(C)C)CCC(C)C)OC ZINC000217853609 583172537 /nfs/dbraw/zinc/17/25/37/583172537.db2.gz AWCJXTBBNRIMKC-UHFFFAOYSA-N 1 0 245.407 3.000 20 70 BFIDRO CCC[N@H+](CC)CCNc1nc(Cl)cs1 ZINC000218734661 592176069 /nfs/dbraw/zinc/17/60/69/592176069.db2.gz WJEKISAIYJSLIC-UHFFFAOYSA-N 1 0 247.795 2.940 20 70 BFIDRO C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1cscn1 ZINC000161175855 538914766 /nfs/dbraw/zinc/91/47/66/538914766.db2.gz OAJWBGQCGADXLH-RKDXNWHRSA-N 1 0 210.346 2.840 20 70 BFIDRO CN(CC[C@@H]1CCC[N@@H+]1C)Cc1ccsc1 ZINC000161309630 538915252 /nfs/dbraw/zinc/91/52/52/538915252.db2.gz UEAKVGKFUCURHN-ZDUSSCGKSA-N 1 0 238.400 2.664 20 70 BFIDRO Cc1cc(NCc2cccc3c2OCO3)cc[nH+]1 ZINC000160918792 178172561 /nfs/dbraw/zinc/17/25/61/178172561.db2.gz RUCIMZGIUNZUIX-UHFFFAOYSA-N 1 0 242.278 2.731 20 70 BFIDRO CCC(CC)[NH2+]Cc1cc(O)cc(F)c1 ZINC000159584988 168389793 /nfs/dbraw/zinc/38/97/93/168389793.db2.gz LLQLRZISJABOTH-UHFFFAOYSA-N 1 0 211.280 2.810 20 70 BFIDRO CC(C)OCC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159607643 323040249 /nfs/dbraw/zinc/04/02/49/323040249.db2.gz UYJZJICSNFVCRO-STQMWFEESA-N 1 0 211.349 2.676 20 70 BFIDRO CC(C)(O)C[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000160608739 187301775 /nfs/dbraw/zinc/30/17/75/187301775.db2.gz VICFPJBZECKOJP-NSHDSACASA-N 1 0 237.343 2.654 20 70 BFIDRO CC1(C)COCC[N@@H+]1CCC1CCCC1 ZINC000159520557 345439792 /nfs/dbraw/zinc/43/97/92/345439792.db2.gz GXHHAJMGWCWTJW-UHFFFAOYSA-N 1 0 211.349 2.678 20 70 BFIDRO C[N@H+](Cc1cnc2ccccn12)CC(C)(C)C ZINC000159593501 345445280 /nfs/dbraw/zinc/44/52/80/345445280.db2.gz XNSDILQIEJLFMS-UHFFFAOYSA-N 1 0 231.343 2.812 20 70 BFIDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(O)cc(F)c2)C1 ZINC000159853653 345569710 /nfs/dbraw/zinc/56/97/10/345569710.db2.gz QMFHFKMLJWRABQ-NXEZZACHSA-N 1 0 223.291 2.762 20 70 BFIDRO CCOCCC[N@H+](C)C(C1CC1)C1CC1 ZINC000159868173 345573878 /nfs/dbraw/zinc/57/38/78/345573878.db2.gz CFQXDUCNKMJABO-UHFFFAOYSA-N 1 0 211.349 2.533 20 70 BFIDRO CC[C@H](CSC)[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000217329904 346299126 /nfs/dbraw/zinc/29/91/26/346299126.db2.gz NTQFYQIEXBKLBY-GRYCIOLGSA-N 1 0 231.405 2.675 20 70 BFIDRO CC(C)[NH2+]CCC(=O)N[C@H](C)CCC(C)(C)C ZINC000161229927 346481200 /nfs/dbraw/zinc/48/12/00/346481200.db2.gz KBVOSVFQRCDDNG-GFCCVEGCSA-N 1 0 242.407 2.706 20 70 BFIDRO CCC[N@H+](CCO)Cc1cc(C)c(C)cc1C ZINC000161192462 323192602 /nfs/dbraw/zinc/19/26/02/323192602.db2.gz YVSKANBBOCRBOB-UHFFFAOYSA-N 1 0 235.371 2.816 20 70 BFIDRO Cc1cnccc1C[NH2+][C@H]1CC[C@@H](C)C1 ZINC000160600761 179704058 /nfs/dbraw/zinc/70/40/58/179704058.db2.gz LGGVDZAQAGEGRT-MFKMUULPSA-N 1 0 204.317 2.668 20 70 BFIDRO C[C@H](CC1CC1)[NH2+][C@H](C)c1cscn1 ZINC000161197217 349409284 /nfs/dbraw/zinc/40/92/84/349409284.db2.gz IMQVHKKXSXVFBV-RKDXNWHRSA-N 1 0 210.346 2.982 20 70 BFIDRO Cc1ccc(CC[C@@H](C)[NH2+]CC(C)(C)O)cc1 ZINC000160585842 187641976 /nfs/dbraw/zinc/64/19/76/187641976.db2.gz AJZGREXHYHQQHV-CYBMUJFWSA-N 1 0 235.371 2.677 20 70 BFIDRO CC(C)(O)C[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000160608619 188334640 /nfs/dbraw/zinc/33/46/40/188334640.db2.gz VICFPJBZECKOJP-LLVKDONJSA-N 1 0 237.343 2.654 20 70 BFIDRO Fc1ccccc1C[N@H+](C[C@H]1CCCO1)C1CC1 ZINC000160775639 181011705 /nfs/dbraw/zinc/01/17/05/181011705.db2.gz XIPDKPUACRBBAN-CQSZACIVSA-N 1 0 249.329 2.969 20 70 BFIDRO [NH3+]C[C@@H]1CCCCN1C/C=C\c1ccccc1 ZINC000217600526 357909672 /nfs/dbraw/zinc/90/96/72/357909672.db2.gz JYPAZHKMWSSXIJ-AJHXJQRKSA-N 1 0 230.355 2.513 20 70 BFIDRO Cc1nc(CC[NH2+]CC(C)(C)C)cs1 ZINC000218098014 134251639 /nfs/dbraw/zinc/25/16/39/134251639.db2.gz IGGZUJGWGZRTML-UHFFFAOYSA-N 1 0 212.362 2.630 20 70 BFIDRO CCCC[C@@H](C(=O)OC)[N@H+](C)CCC(C)C ZINC000160797445 358642726 /nfs/dbraw/zinc/64/27/26/358642726.db2.gz YJOBBKFGZZMFLX-LBPRGKRZSA-N 1 0 229.364 2.696 20 70 BFIDRO CC[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)C1CC1 ZINC000159947012 361296244 /nfs/dbraw/zinc/29/62/44/361296244.db2.gz JFHLTUZBIUVKQQ-VXGBXAGGSA-N 1 0 211.349 2.722 20 70 BFIDRO CC[C@@H]([NH2+]CCSC)c1ccc(F)cn1 ZINC000161338143 368043076 /nfs/dbraw/zinc/04/30/76/368043076.db2.gz BFQNUTSNLCAMOM-SNVBAGLBSA-N 1 0 228.336 2.624 20 70 BFIDRO OC[C@H](C[NH2+]C(C1CC1)C1CC1)c1ccccc1 ZINC000161444730 183137525 /nfs/dbraw/zinc/13/75/25/183137525.db2.gz GZPUZSYQUCQARM-HNNXBMFYSA-N 1 0 245.366 2.541 20 70 BFIDRO CCCN(CC[NH+](CC)CC)Cc1ccco1 ZINC000161169180 169157172 /nfs/dbraw/zinc/15/71/72/169157172.db2.gz IVCUSYDSLAFAKL-UHFFFAOYSA-N 1 0 238.375 2.833 20 70 BFIDRO c1cn(CC[N@H+](Cc2ccccc2)C2CC2)cn1 ZINC000159711571 183397047 /nfs/dbraw/zinc/39/70/47/183397047.db2.gz DWOWRNZRAPBSPY-UHFFFAOYSA-N 1 0 241.338 2.548 20 70 BFIDRO CCc1ccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159476431 384248462 /nfs/dbraw/zinc/24/84/62/384248462.db2.gz AADYFTOOFCXIIQ-HOTGVXAUSA-N 1 0 247.382 2.842 20 70 BFIDRO Cc1ccoc1C[NH2+][C@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159633142 384344364 /nfs/dbraw/zinc/34/43/64/384344364.db2.gz UUSVIAGJGHRCBK-XBFCOCLRSA-N 1 0 247.338 2.635 20 70 BFIDRO CC(C)(O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000160631806 384424644 /nfs/dbraw/zinc/42/46/44/384424644.db2.gz CUOAZDDIELIHNZ-GJZGRUSLSA-N 1 0 247.382 2.758 20 70 BFIDRO C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccco1 ZINC000161093065 384464611 /nfs/dbraw/zinc/46/46/11/384464611.db2.gz QTKUCEQYSIPTIF-AGIUHOORSA-N 1 0 236.359 2.803 20 70 BFIDRO C[C@@H]1CC[C@H](C)[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161341148 384483624 /nfs/dbraw/zinc/48/36/24/384483624.db2.gz ZAGNDACOKXKKFL-CABCVRRESA-N 1 0 238.419 2.983 20 70 BFIDRO C[C@H]([NH2+]CC1CCSCC1)c1cscn1 ZINC000161198570 384910183 /nfs/dbraw/zinc/91/01/83/384910183.db2.gz JGZYLVPVHDLPNF-VIFPVBQESA-N 1 0 242.413 2.937 20 70 BFIDRO CC[C@@](C)(O)C[N@@H+]1CCC[C@](C)(CC)C1 ZINC000161311831 384965766 /nfs/dbraw/zinc/96/57/66/384965766.db2.gz AWUQCRDDUBDLOB-QWHCGFSZSA-N 1 0 213.365 2.660 20 70 BFIDRO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](O)C1 ZINC000217237908 385879921 /nfs/dbraw/zinc/87/99/21/385879921.db2.gz LGVBWOMLRSHCLR-KGLIPLIRSA-N 1 0 237.318 2.734 20 70 BFIDRO CCC[N@H+](CCO)Cc1c(C)oc2ccccc21 ZINC000161215393 387147622 /nfs/dbraw/zinc/14/76/22/387147622.db2.gz DUNRCLKKKZGNGC-UHFFFAOYSA-N 1 0 247.338 2.946 20 70 BFIDRO CSCCCC[NH2+][C@H](C)c1cscn1 ZINC000161204025 387149350 /nfs/dbraw/zinc/14/93/50/387149350.db2.gz WMABPBCXAVVZOO-SECBINFHSA-N 1 0 230.402 2.937 20 70 BFIDRO C[C@H]([NH2+]CCO)c1cc(Cl)sc1Cl ZINC000159693137 388026993 /nfs/dbraw/zinc/02/69/93/388026993.db2.gz XMXAVCMESHKXJS-YFKPBYRVSA-N 1 0 240.155 2.698 20 70 BFIDRO CCSCC[N@H+](C[C@@H](C)O)C1CCCCC1 ZINC000160312456 388058232 /nfs/dbraw/zinc/05/82/32/388058232.db2.gz CTSVAHMLRJKXLK-GFCCVEGCSA-N 1 0 245.432 2.755 20 70 BFIDRO C[C@H](O)C(C)(C)[NH2+]Cc1cccc(Cl)c1 ZINC000160609310 388078389 /nfs/dbraw/zinc/07/83/89/388078389.db2.gz RGDDNLRGHQGTNK-VIFPVBQESA-N 1 0 227.735 2.589 20 70 BFIDRO CCCC[C@H](C(=O)OC)[NH+]1CCCCCC1 ZINC000160796428 388091039 /nfs/dbraw/zinc/09/10/39/388091039.db2.gz AECDIKDNKUXOEQ-GFCCVEGCSA-N 1 0 227.348 2.594 20 70 BFIDRO CC[C@](C)(O)C[N@H+](C)Cc1ccc(C)s1 ZINC000160880794 388098278 /nfs/dbraw/zinc/09/82/78/388098278.db2.gz HZHFMROEFSYMQH-LBPRGKRZSA-N 1 0 227.373 2.649 20 70 BFIDRO CC(C)(C)CC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000159956001 134796059 /nfs/dbraw/zinc/79/60/59/134796059.db2.gz YYDSKENTNSJPEG-LLVKDONJSA-N 1 0 213.365 2.970 20 70 BFIDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)C(C)C)c1 ZINC000160169288 134800382 /nfs/dbraw/zinc/80/03/82/134800382.db2.gz WNJGSHVNHISFOX-LBPRGKRZSA-N 1 0 248.370 2.570 20 70 BFIDRO CC(C)OCCC[NH2+][C@@H](C)c1cscn1 ZINC000161137576 167224385 /nfs/dbraw/zinc/22/43/85/167224385.db2.gz DYVJAHOGLINSAC-JTQLQIEISA-N 1 0 228.361 2.609 20 70 BFIDRO CC1CC[NH+](CCSc2ccncc2)CC1 ZINC000159915730 168182355 /nfs/dbraw/zinc/18/23/55/168182355.db2.gz ZCLZNBHNAWROGU-UHFFFAOYSA-N 1 0 236.384 2.906 20 70 BFIDRO CN(Cc1cccs1)C[C@H]1CCC[N@H+](C)C1 ZINC000161283696 173041117 /nfs/dbraw/zinc/04/11/17/173041117.db2.gz KAOCFLOTMQJJNB-LBPRGKRZSA-N 1 0 238.400 2.522 20 70 BFIDRO COCCC1(C[NH2+][C@H](C)c2ccccn2)CCC1 ZINC000159378326 174156580 /nfs/dbraw/zinc/15/65/80/174156580.db2.gz WEBKWQVWNABKDJ-CYBMUJFWSA-N 1 0 248.370 2.939 20 70 BFIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000159535767 176014809 /nfs/dbraw/zinc/01/48/09/176014809.db2.gz CESSEOWOLYOLQS-BDAKNGLRSA-N 1 0 245.725 2.853 20 70 BFIDRO C[C@@H]1C[NH+](Cc2cc(O)cc(F)c2)C[C@H]1C ZINC000159847131 176301591 /nfs/dbraw/zinc/30/15/91/176301591.db2.gz JYHXBZAXRAVEFG-NXEZZACHSA-N 1 0 223.291 2.619 20 70 BFIDRO C[C@H](CCc1ccccc1F)[NH2+]CC(C)(C)O ZINC000160618424 176640820 /nfs/dbraw/zinc/64/08/20/176640820.db2.gz YNVNJWOZANOLFI-LLVKDONJSA-N 1 0 239.334 2.507 20 70 BFIDRO COC[C@@H](C)C[N@H+](C)CCc1ccc(F)cc1 ZINC000159549227 323036272 /nfs/dbraw/zinc/03/62/72/323036272.db2.gz NILNXQWFZCTDIJ-LBPRGKRZSA-N 1 0 239.334 2.583 20 70 BFIDRO Cc1ccc(C)c(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159717515 323044491 /nfs/dbraw/zinc/04/44/91/323044491.db2.gz VSSWYWSBSPDTQP-HOCLYGCPSA-N 1 0 247.382 2.896 20 70 BFIDRO CCc1ccc(C[NH2+][C@@]2(C)CCOC2)s1 ZINC000160184987 323062850 /nfs/dbraw/zinc/06/28/50/323062850.db2.gz OIBMPQYWIVNDIS-LBPRGKRZSA-N 1 0 225.357 2.579 20 70 BFIDRO Cc1ccc(C[C@@H]([NH2+]CC(C)(C)O)C(C)C)cc1 ZINC000160652121 323075581 /nfs/dbraw/zinc/07/55/81/323075581.db2.gz GKVQGYLXMIOFSA-OAHLLOKOSA-N 1 0 249.398 2.923 20 70 BFIDRO C[C@@H]1CC[N@H+](Cc2cnc3ccccn23)[C@@H]1C ZINC000160954678 323140112 /nfs/dbraw/zinc/14/01/12/323140112.db2.gz VXFHBMFPJUNGNZ-VXGBXAGGSA-N 1 0 229.327 2.565 20 70 BFIDRO CSCCCC[NH2+][C@@H](C)c1cscn1 ZINC000161203909 323465848 /nfs/dbraw/zinc/46/58/48/323465848.db2.gz WMABPBCXAVVZOO-VIFPVBQESA-N 1 0 230.402 2.937 20 70 BFIDRO CC[C@@H](C)[NH2+]Cc1cccc(OC)c1F ZINC000160459042 488135285 /nfs/dbraw/zinc/13/52/85/488135285.db2.gz BJBACUGRYIGVSS-SECBINFHSA-N 1 0 211.280 2.722 20 70 BFIDRO CCC(C)(C)[NH2+]Cc1cc(O)cc(F)c1 ZINC000159583963 535361208 /nfs/dbraw/zinc/36/12/08/535361208.db2.gz FHZDHAQZXSFILN-UHFFFAOYSA-N 1 0 211.280 2.810 20 70 BFIDRO C[C@@H](C[NH2+][C@H](C)c1cscn1)C1CC1 ZINC000161175745 538915001 /nfs/dbraw/zinc/91/50/01/538915001.db2.gz OAJWBGQCGADXLH-DTWKUNHWSA-N 1 0 210.346 2.840 20 70 BFIDRO CN(CC[C@H]1CCC[N@@H+]1C)Cc1ccsc1 ZINC000161309492 538915341 /nfs/dbraw/zinc/91/53/41/538915341.db2.gz UEAKVGKFUCURHN-CYBMUJFWSA-N 1 0 238.400 2.664 20 70 BFIDRO C[C@@H]1C[C@H](C)[N@H+](Cc2cc(O)cc(F)c2)C1 ZINC000159853437 345569355 /nfs/dbraw/zinc/56/93/55/345569355.db2.gz QMFHFKMLJWRABQ-ZJUUUORDSA-N 1 0 223.291 2.762 20 70 BFIDRO CCOCCC[N@@H+]1CCC[C@@H]1CC(C)C ZINC000159938327 345701054 /nfs/dbraw/zinc/70/10/54/345701054.db2.gz DYQSOGWVQRZSEI-CYBMUJFWSA-N 1 0 213.365 2.924 20 70 BFIDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(O)c2)C1 ZINC000161297871 346167268 /nfs/dbraw/zinc/16/72/68/346167268.db2.gz IWPHKJRLIGFHKY-GHMZBOCLSA-N 1 0 205.301 2.623 20 70 BFIDRO CC[C@@H]([NH2+]C1CCC1)c1ccc(F)cn1 ZINC000161332387 346169381 /nfs/dbraw/zinc/16/93/81/346169381.db2.gz ZHDMXKQCSYKBDF-LLVKDONJSA-N 1 0 208.280 2.814 20 70 BFIDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCCc1cnn(C)c1 ZINC000161422069 346192545 /nfs/dbraw/zinc/19/25/45/346192545.db2.gz OZVWYSPFXBMRSF-CABCVRRESA-N 1 0 249.402 2.911 20 70 BFIDRO C[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000161163325 323149690 /nfs/dbraw/zinc/14/96/90/323149690.db2.gz IIPMNKRPYJTCBT-HTQZYQBOSA-N 1 0 231.698 2.511 20 70 BFIDRO CCCCCC(=O)N1CCC[N@H+](CCC)CC1 ZINC000160384873 347873649 /nfs/dbraw/zinc/87/36/49/347873649.db2.gz ZRKNGZZMBKNMNS-UHFFFAOYSA-N 1 0 240.391 2.511 20 70 BFIDRO CCS[C@H]1CCCC[N@H+](C[C@](C)(O)CC)C1 ZINC000161070824 349373795 /nfs/dbraw/zinc/37/37/95/349373795.db2.gz SVJQMQAGQMWUID-QWHCGFSZSA-N 1 0 245.432 2.755 20 70 BFIDRO C[C@H](CC1CC1)[NH2+][C@@H](C)c1cscn1 ZINC000161196964 349408456 /nfs/dbraw/zinc/40/84/56/349408456.db2.gz IMQVHKKXSXVFBV-BDAKNGLRSA-N 1 0 210.346 2.982 20 70 BFIDRO CSCC[NH2+]Cc1cc(Cl)ccc1F ZINC000159884700 351021714 /nfs/dbraw/zinc/02/17/14/351021714.db2.gz NMPIJAFJJHGGDZ-UHFFFAOYSA-N 1 0 233.739 2.932 20 70 BFIDRO CC(C)C[C@H]([NH2+]CC(C)(C)O)c1ccccn1 ZINC000160593050 188159230 /nfs/dbraw/zinc/15/92/30/188159230.db2.gz ZZEWTXOCQBGOID-ZDUSSCGKSA-N 1 0 236.359 2.529 20 70 BFIDRO CC[C@@]1(C)C[N@H+](Cc2ccccc2)CCO1 ZINC000160338808 188159825 /nfs/dbraw/zinc/15/98/25/188159825.db2.gz FEYQCEQYUIWJCQ-AWEZNQCLSA-N 1 0 219.328 2.688 20 70 BFIDRO CCCCC[N@H+](Cc1nccn1C)C(C)C ZINC000160772718 358480321 /nfs/dbraw/zinc/48/03/21/358480321.db2.gz MKVYWGFRTMOVGN-UHFFFAOYSA-N 1 0 223.364 2.821 20 70 BFIDRO CC(C)[C@H]1CC[N@H+](Cc2ccc(O)cc2)C1 ZINC000159473234 538877242 /nfs/dbraw/zinc/87/72/42/538877242.db2.gz BYEVCWXHGVZAGF-ZDUSSCGKSA-N 1 0 219.328 2.870 20 70 BFIDRO CC[C@H](O)CC[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000217870864 134250515 /nfs/dbraw/zinc/25/05/15/134250515.db2.gz JWYYBRAPFNXYJZ-AGIUHOORSA-N 1 0 213.365 2.706 20 70 BFIDRO CCC[C@@H](C)C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000159988451 361296376 /nfs/dbraw/zinc/29/63/76/361296376.db2.gz JNBMNSYPBDIVEJ-VXGBXAGGSA-N 1 0 213.365 2.970 20 70 BFIDRO CC[C@H]([NH2+]CCSC)c1ccc(F)cn1 ZINC000161338014 368043270 /nfs/dbraw/zinc/04/32/70/368043270.db2.gz BFQNUTSNLCAMOM-JTQLQIEISA-N 1 0 228.336 2.624 20 70 BFIDRO CCC[C@H](C)CC(=O)NCC1([NH3+])CCCCC1 ZINC000159589526 201686522 /nfs/dbraw/zinc/68/65/22/201686522.db2.gz CQJMRGYBJVKESI-LBPRGKRZSA-N 1 0 240.391 2.591 20 70 BFIDRO CCC[N@H+](Cc1ccnn1C)Cc1ccccc1 ZINC000160479332 169177470 /nfs/dbraw/zinc/17/74/70/169177470.db2.gz YINGUVHOMQAKGJ-UHFFFAOYSA-N 1 0 243.354 2.832 20 70 BFIDRO c1cc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cs1 ZINC000159622764 183353237 /nfs/dbraw/zinc/35/32/37/183353237.db2.gz IEJKGLSONBWZNJ-AVGNSLFASA-N 1 0 249.379 2.795 20 70 BFIDRO c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cs1 ZINC000159622636 183353279 /nfs/dbraw/zinc/35/32/79/183353279.db2.gz IEJKGLSONBWZNJ-XQQFMLRXSA-N 1 0 249.379 2.795 20 70 BFIDRO CCC[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000160745132 169276320 /nfs/dbraw/zinc/27/63/20/169276320.db2.gz NFKWUICMWYSWNU-AAEUAGOBSA-N 1 0 207.317 2.762 20 70 BFIDRO c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159507591 183406416 /nfs/dbraw/zinc/40/64/16/183406416.db2.gz NJWLMTAOEBVPPY-ZNMIVQPWSA-N 1 0 243.350 2.734 20 70 BFIDRO CC[C@H]([NH3+])C(=O)N[C@@H](c1ccccc1C)C(C)C ZINC000159689681 384347897 /nfs/dbraw/zinc/34/78/97/384347897.db2.gz VBTKOTBECWUCAM-UONOGXRCSA-N 1 0 248.370 2.546 20 70 BFIDRO c1csc(C[N@@H+](CCn2ccnc2)C2CC2)c1 ZINC000159712466 384351235 /nfs/dbraw/zinc/35/12/35/384351235.db2.gz HRPGYOJKXZMKOR-UHFFFAOYSA-N 1 0 247.367 2.609 20 70 BFIDRO COCC[C@H](C)[NH2+]CCC1Cc2ccccc2C1 ZINC000159728083 384351995 /nfs/dbraw/zinc/35/19/95/384351995.db2.gz CTMCGKLHZKZUBM-ZDUSSCGKSA-N 1 0 247.382 2.806 20 70 BFIDRO CC[C@]1(C)C[N@H+](Cc2ccccc2)CCO1 ZINC000160338679 384403106 /nfs/dbraw/zinc/40/31/06/384403106.db2.gz FEYQCEQYUIWJCQ-CQSZACIVSA-N 1 0 219.328 2.688 20 70 BFIDRO CC(C)(O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000160612729 384421291 /nfs/dbraw/zinc/42/12/91/384421291.db2.gz UAGXLSNMPQFLAH-UONOGXRCSA-N 1 0 233.355 2.683 20 70 BFIDRO CCC[C@H](Cc1ccccc1)[NH2+]CC(C)(C)O ZINC000160612103 384423355 /nfs/dbraw/zinc/42/33/55/384423355.db2.gz AFHBWJXYKRMCNK-CQSZACIVSA-N 1 0 235.371 2.758 20 70 BFIDRO CC[C@@](C)(O)C[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000161348773 384973605 /nfs/dbraw/zinc/97/36/05/384973605.db2.gz CCPVDJQLNUVSPB-CHWSQXEVSA-N 1 0 213.365 2.515 20 70 BFIDRO CSC[C@H](C)[NH2+][C@H](C)c1ccc(F)cn1 ZINC000161452951 385067110 /nfs/dbraw/zinc/06/71/10/385067110.db2.gz WDGGLCNOVQIENW-DTWKUNHWSA-N 1 0 228.336 2.623 20 70 BFIDRO C[C@H](CCC1CCCCC1)NC(=O)C(C)(C)[NH3+] ZINC000160914348 386539300 /nfs/dbraw/zinc/53/93/00/386539300.db2.gz VTSIFMBUMWKPPZ-LLVKDONJSA-N 1 0 240.391 2.589 20 70 BFIDRO CCC([NH3+])(CC)CNC(=O)C[C@H](C)CC(C)C ZINC000160517297 387103199 /nfs/dbraw/zinc/10/31/99/387103199.db2.gz XZJSFISROITQRL-GFCCVEGCSA-N 1 0 242.407 2.692 20 70 BFIDRO CC(C)(C)C[NH2+]Cc1cc(O)cc(F)c1 ZINC000159594489 388022827 /nfs/dbraw/zinc/02/28/27/388022827.db2.gz ZTENVMUJXLHJAO-UHFFFAOYSA-N 1 0 211.280 2.667 20 70 BFIDRO C[C@H](c1ccco1)[N@H+](C)CCOCC1CC1 ZINC000159758052 388029693 /nfs/dbraw/zinc/02/96/93/388029693.db2.gz BPPUGLZNHCLWPM-LLVKDONJSA-N 1 0 223.316 2.699 20 70 BFIDRO Cc1nc2ccccn2c1C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000160955056 133511047 /nfs/dbraw/zinc/51/10/47/133511047.db2.gz PUJUOFBFFVGAKZ-YPMHNXCESA-N 1 0 243.354 2.873 20 70 BFIDRO C[C@H]([NH2+]CCC(C)(C)O)[C@@H](C)c1ccccc1 ZINC000159610980 397765211 /nfs/dbraw/zinc/76/52/11/397765211.db2.gz BVBPCUBYVYUBOI-OLZOCXBDSA-N 1 0 235.371 2.929 20 70 BFIDRO CCc1nc([C@H](C)[NH2+]CCC(C)(C)O)cs1 ZINC000159846007 172005801 /nfs/dbraw/zinc/00/58/01/172005801.db2.gz PQPDOJLMIOWGDW-VIFPVBQESA-N 1 0 242.388 2.517 20 70 BFIDRO COCC[C@H](C)[NH2+]CCc1c(C)cccc1C ZINC000160613005 174405886 /nfs/dbraw/zinc/40/58/86/174405886.db2.gz NLAQASIAWUYQTA-AWEZNQCLSA-N 1 0 235.371 2.861 20 70 BFIDRO C[C@@H](CCc1ccccc1F)[NH2+]CC(C)(C)O ZINC000160618300 175686614 /nfs/dbraw/zinc/68/66/14/175686614.db2.gz YNVNJWOZANOLFI-NSHDSACASA-N 1 0 239.334 2.507 20 70 BFIDRO C[C@H](c1ccco1)N(C)CC[C@@H]1CCC[N@@H+]1C ZINC000161500074 177047374 /nfs/dbraw/zinc/04/73/74/177047374.db2.gz OWUAJGCPYMCBEO-OLZOCXBDSA-N 1 0 236.359 2.757 20 70 BFIDRO CCC(CC)[NH2+]C[C@@](C)(O)CCC(C)C ZINC000159418934 323027418 /nfs/dbraw/zinc/02/74/18/323027418.db2.gz OHEQYKCRTCABLT-ZDUSSCGKSA-N 1 0 215.381 2.952 20 70 BFIDRO COC[C@H](C)C[N@H+](C)CCc1ccc(F)cc1 ZINC000159549376 323036278 /nfs/dbraw/zinc/03/62/78/323036278.db2.gz NILNXQWFZCTDIJ-GFCCVEGCSA-N 1 0 239.334 2.583 20 70 BFIDRO CC[C@H]([NH3+])C(=O)N[C@@H](CCC(C)C)C(C)(C)C ZINC000160072153 323059708 /nfs/dbraw/zinc/05/97/08/323059708.db2.gz OSYOVFYMDSLGJT-RYUDHWBXSA-N 1 0 242.407 2.691 20 70 BFIDRO Cc1cc(C[NH2+]C(C)(C)[C@H](C)O)c(C)s1 ZINC000160603005 323073437 /nfs/dbraw/zinc/07/34/37/323073437.db2.gz FTUIXZKLCVKRSW-JTQLQIEISA-N 1 0 227.373 2.614 20 70 BFIDRO CC[C@@H](C)[C@H](C)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000161114795 323147644 /nfs/dbraw/zinc/14/76/44/323147644.db2.gz YYENBSUFPIMEJC-NEPJUHHUSA-N 1 0 249.354 2.982 20 70 BFIDRO CC[C@H]([NH2+]CCc1ccc2c(c1)OCO2)C(C)C ZINC000161136651 323149015 /nfs/dbraw/zinc/14/90/15/323149015.db2.gz JFZPRJRTQCKPEQ-ZDUSSCGKSA-N 1 0 249.354 2.982 20 70 BFIDRO CC[C@H]([NH3+])C(=O)N1CCCCC[C@@H]1CC(C)C ZINC000161298997 323493548 /nfs/dbraw/zinc/49/35/48/323493548.db2.gz LXHIHTBBCAZKFX-OLZOCXBDSA-N 1 0 240.391 2.541 20 70 BFIDRO CCCC[NH2+]Cc1cccc(OC)c1F ZINC000160460372 488135009 /nfs/dbraw/zinc/13/50/09/488135009.db2.gz GWMRIYOUIFMQIW-UHFFFAOYSA-N 1 0 211.280 2.724 20 70 BFIDRO Cc1nc(C)c(C[NH2+]C2CCCCC2)o1 ZINC000159422210 566450562 /nfs/dbraw/zinc/45/05/62/566450562.db2.gz OQLWUYOIFNIJBU-UHFFFAOYSA-N 1 0 208.305 2.714 20 70 BFIDRO C[C@H]([N@H+](C)Cc1cnc2ccccn12)C1(C)CC1 ZINC000161442533 349449439 /nfs/dbraw/zinc/44/94/39/349449439.db2.gz BDEAHBSHQREAGT-LBPRGKRZSA-N 1 0 243.354 2.955 20 70 BFIDRO Cc1cc(C[NH2+][C@]2(C)CCOC2)c(C)s1 ZINC000160187970 178042168 /nfs/dbraw/zinc/04/21/68/178042168.db2.gz OTXFAZXCSRVHMS-GFCCVEGCSA-N 1 0 225.357 2.634 20 70 BFIDRO C(c1noc(C2CC2)n1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000159705402 345489622 /nfs/dbraw/zinc/48/96/22/345489622.db2.gz QHDIWEUMRCPYLR-JQWIXIFHSA-N 1 0 247.342 2.712 20 70 BFIDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCCc1cnn(C)c1 ZINC000161422191 346187204 /nfs/dbraw/zinc/18/72/04/346187204.db2.gz OZVWYSPFXBMRSF-GJZGRUSLSA-N 1 0 249.402 2.911 20 70 BFIDRO Cc1ccccc1[C@@H](CC(C)C)NC(=O)CC[NH3+] ZINC000159691787 179323487 /nfs/dbraw/zinc/32/34/87/179323487.db2.gz KQZSTAUASVASED-CQSZACIVSA-N 1 0 248.370 2.547 20 70 BFIDRO CC[C@@H](COC)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000161000965 349356512 /nfs/dbraw/zinc/35/65/12/349356512.db2.gz SBUZNEWLSZDZEE-KBPBESRZSA-N 1 0 233.355 2.731 20 70 BFIDRO CC[C@H](COC)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000161001076 349356588 /nfs/dbraw/zinc/35/65/88/349356588.db2.gz SBUZNEWLSZDZEE-UONOGXRCSA-N 1 0 233.355 2.731 20 70 BFIDRO CC[C@@H](CCO)[NH2+]CCC1CCCCC1 ZINC000217712286 350069468 /nfs/dbraw/zinc/06/94/68/350069468.db2.gz GFYSUSKIVLHIPI-ZDUSSCGKSA-N 1 0 213.365 2.707 20 70 BFIDRO C[C@H](C[NH2+][C@@H](C)c1cscn1)C1CC1 ZINC000161175616 538110705 /nfs/dbraw/zinc/11/07/05/538110705.db2.gz OAJWBGQCGADXLH-BDAKNGLRSA-N 1 0 210.346 2.840 20 70 BFIDRO CCn1nccc1C[NH2+]Cc1ccc(F)c(C)c1 ZINC000159915639 538880487 /nfs/dbraw/zinc/88/04/87/538880487.db2.gz VJMLEYSYRXGGEH-UHFFFAOYSA-N 1 0 247.317 2.640 20 70 BFIDRO CC[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)C1CC1 ZINC000159947192 361296026 /nfs/dbraw/zinc/29/60/26/361296026.db2.gz JFHLTUZBIUVKQQ-NWDGAFQWSA-N 1 0 211.349 2.722 20 70 BFIDRO CCC[C@@H](C)[NH2+]C[C@@](C)(O)CCC(C)C ZINC000159373310 201677362 /nfs/dbraw/zinc/67/73/62/201677362.db2.gz BTYWYSBSSHNFAX-OLZOCXBDSA-N 1 0 215.381 2.952 20 70 BFIDRO OC[C@@H](C[NH2+]C(C1CC1)C1CC1)c1ccccc1 ZINC000161444865 183104829 /nfs/dbraw/zinc/10/48/29/183104829.db2.gz GZPUZSYQUCQARM-OAHLLOKOSA-N 1 0 245.366 2.541 20 70 BFIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)CC)c1 ZINC000160616023 169252272 /nfs/dbraw/zinc/25/22/72/169252272.db2.gz NNRZTULWDWURGA-LBPRGKRZSA-N 1 0 248.370 2.715 20 70 BFIDRO CCC[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000160745381 169276444 /nfs/dbraw/zinc/27/64/44/169276444.db2.gz NFKWUICMWYSWNU-WCQYABFASA-N 1 0 207.317 2.762 20 70 BFIDRO c1csc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159519773 384337837 /nfs/dbraw/zinc/33/78/37/384337837.db2.gz UWMCRAAQCDWFQV-AGIUHOORSA-N 1 0 249.379 2.795 20 70 BFIDRO Cc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)o1 ZINC000159636514 384344585 /nfs/dbraw/zinc/34/45/85/384344585.db2.gz VBVGNZFJIPSXRC-RDBSUJKOSA-N 1 0 247.338 2.635 20 70 BFIDRO CC[C@H]([NH3+])C(=O)N(C)[C@H](c1ccccc1)C(C)C ZINC000159757198 384354752 /nfs/dbraw/zinc/35/47/52/384354752.db2.gz JSFKLWMYWUVDOA-KBPBESRZSA-N 1 0 248.370 2.579 20 70 BFIDRO C[C@H](C[N@H+](C)C[C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000159767683 384356310 /nfs/dbraw/zinc/35/63/10/384356310.db2.gz OSACTHZYSYTOSI-KBMXLJTQSA-N 1 0 247.382 2.883 20 70 BFIDRO C[C@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1ccccn1 ZINC000159383795 384325160 /nfs/dbraw/zinc/32/51/60/384325160.db2.gz UDHCEEYOYOILQK-MYZSUADSSA-N 1 0 246.354 2.690 20 70 BFIDRO Cc1ccc(C[C@@H]([NH2+]CC(C)(C)O)C2CC2)cc1 ZINC000160661585 384426239 /nfs/dbraw/zinc/42/62/39/384426239.db2.gz UQVMOYFUEKVQGD-OAHLLOKOSA-N 1 0 247.382 2.677 20 70 BFIDRO CC(C)C[C@@H]([NH2+]CC(C)(C)O)c1ccccn1 ZINC000160593176 384423264 /nfs/dbraw/zinc/42/32/64/384423264.db2.gz ZZEWTXOCQBGOID-CYBMUJFWSA-N 1 0 236.359 2.529 20 70 BFIDRO CC1(C)C[C@H](Nc2ccnc(C3CC3)n2)CCO1 ZINC000160648131 384425108 /nfs/dbraw/zinc/42/51/08/384425108.db2.gz NAHQOMQETDMMQP-LLVKDONJSA-N 1 0 247.342 2.724 20 70 BFIDRO CCCC[C@H](C(=O)OC)[N@H+](C)CC(C)(C)C ZINC000160664191 384427873 /nfs/dbraw/zinc/42/78/73/384427873.db2.gz BIBUVIBSXPYBJQ-LLVKDONJSA-N 1 0 229.364 2.696 20 70 BFIDRO CC[C@H]1CCC[N@H+](C[C@@H](O)C(C)(C)C)C1 ZINC000216927077 384657269 /nfs/dbraw/zinc/65/72/69/384657269.db2.gz DAXSZFNYNGPPDY-NWDGAFQWSA-N 1 0 213.365 2.515 20 70 BFIDRO CSCCC[NH2+][C@H](C)c1cscn1 ZINC000161203756 384919366 /nfs/dbraw/zinc/91/93/66/384919366.db2.gz HKHYAHKDSSOGBN-MRVPVSSYSA-N 1 0 216.375 2.547 20 70 BFIDRO CO[C@@H](C)c1nc(C[NH2+]CC(C)C)cs1 ZINC000161062098 385065470 /nfs/dbraw/zinc/06/54/70/385065470.db2.gz IPFSKQLFTRSEBJ-VIFPVBQESA-N 1 0 228.361 2.596 20 70 BFIDRO CCOCCC[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000160280503 388056346 /nfs/dbraw/zinc/05/63/46/388056346.db2.gz SMFQOYMVFMMRLM-HNNXBMFYSA-N 1 0 248.370 2.599 20 70 BFIDRO CCC[C@@H](C)[C@@H](CC)[NH2+]CC(C)(C)O ZINC000160628377 388079815 /nfs/dbraw/zinc/07/98/15/388079815.db2.gz SDWBNARUMQJISW-GHMZBOCLSA-N 1 0 201.354 2.562 20 70 BFIDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)O ZINC000160623193 388080245 /nfs/dbraw/zinc/08/02/45/388080245.db2.gz LAUILRKITUKNHZ-RYUDHWBXSA-N 1 0 213.365 2.706 20 70 BFIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)CC(C)C ZINC000160086669 388044908 /nfs/dbraw/zinc/04/49/08/388044908.db2.gz SWOUMRHWAMKICP-QWHCGFSZSA-N 1 0 214.397 2.741 20 70 BFIDRO CCCC[C@@H](C)[NH2+]CCN(C)[C@@H](C)CC ZINC000160107801 388046745 /nfs/dbraw/zinc/04/67/45/388046745.db2.gz GFLXKLLUKUXWSR-OLZOCXBDSA-N 1 0 214.397 2.885 20 70 BFIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)C(C)(C)C ZINC000160135799 388047295 /nfs/dbraw/zinc/04/72/95/388047295.db2.gz CDJJFMYBBFNXNB-NEPJUHHUSA-N 1 0 214.397 2.741 20 70 BFIDRO CCCCN(C(=O)[C@H](C)[NH3+])[C@H](C)c1ccccc1 ZINC000161354396 388579420 /nfs/dbraw/zinc/57/94/20/388579420.db2.gz QVRQNVYWVFNQNJ-QWHCGFSZSA-N 1 0 248.370 2.724 20 70 BFIDRO CC[C@@H]1CCC[N@H+](C[C@@H](O)C(C)(C)C)C1 ZINC000216927056 134178745 /nfs/dbraw/zinc/17/87/45/134178745.db2.gz DAXSZFNYNGPPDY-VXGBXAGGSA-N 1 0 213.365 2.515 20 70 BFIDRO CC[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000217707848 134250671 /nfs/dbraw/zinc/25/06/71/134250671.db2.gz ZTTMYHDCYXOFQT-WUHRBBMRSA-N 1 0 213.365 2.562 20 70 BFIDRO CC(C)CC[NH2+]Cc1cc(O)cc(F)c1 ZINC000159586496 397948391 /nfs/dbraw/zinc/94/83/91/397948391.db2.gz GSXGIDJYFITSFO-UHFFFAOYSA-N 1 0 211.280 2.667 20 70 BFIDRO C[C@@H](Cc1ccccc1F)[NH2+]CC1CC1 ZINC000161006460 410451210 /nfs/dbraw/zinc/45/12/10/410451210.db2.gz WKHGGNXHTJBKQS-JTQLQIEISA-N 1 0 207.292 2.756 20 70 BFIDRO CC(C)[C@@H](C)[NH2+]Cc1cc(O)cc(F)c1 ZINC000159588835 167382561 /nfs/dbraw/zinc/38/25/61/167382561.db2.gz KXSZPFOOAOXFRN-SECBINFHSA-N 1 0 211.280 2.665 20 70 BFIDRO CC[NH+](CC)[C@H](C)CNC(=O)CCC(C)(C)C ZINC000160067221 169799396 /nfs/dbraw/zinc/79/93/96/169799396.db2.gz PVHUELWYCGCMDJ-GFCCVEGCSA-N 1 0 242.407 2.659 20 70 BFIDRO CC1([NH2+]Cc2cc(F)ccc2F)CCC1 ZINC000159995533 168063375 /nfs/dbraw/zinc/06/33/75/168063375.db2.gz AMNHDOAFRVNVMI-UHFFFAOYSA-N 1 0 211.255 2.997 20 70 BFIDRO CC[NH2+]CCNCc1cc(Cl)ccc1Cl ZINC000161312601 170115979 /nfs/dbraw/zinc/11/59/79/170115979.db2.gz OFWYTRRCPYKMGJ-UHFFFAOYSA-N 1 0 247.169 2.693 20 70 BFIDRO COC(C[N@@H+]1CCC[C@@H]1C1CCCCC1)OC ZINC000160623970 173959042 /nfs/dbraw/zinc/95/90/42/173959042.db2.gz QBHDJRYDKBRRFM-CYBMUJFWSA-N 1 0 241.375 2.650 20 70 BFIDRO CC[C@H](COC)[NH2+]CCc1cc(C)cc(C)c1 ZINC000159508476 323001081 /nfs/dbraw/zinc/00/10/81/323001081.db2.gz HEIVOJRZMQMKHA-OAHLLOKOSA-N 1 0 235.371 2.861 20 70 BFIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)NC(C)(C)C ZINC000160522176 323069983 /nfs/dbraw/zinc/06/99/83/323069983.db2.gz HTBVNNYXQSNTDP-RYUDHWBXSA-N 1 0 242.407 2.658 20 70 BFIDRO CC(C)n1ccnc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000160675145 323102515 /nfs/dbraw/zinc/10/25/15/323102515.db2.gz PCJAPGFKHPQIBR-CHWSQXEVSA-N 1 0 235.375 2.942 20 70 BFIDRO CSCCCn1c(C)[nH+]c2c1CCCC2 ZINC000160737911 323104262 /nfs/dbraw/zinc/10/42/62/323104262.db2.gz DQOBFAGDRIDXMT-UHFFFAOYSA-N 1 0 224.373 2.823 20 70 BFIDRO Cc1nc2ccccn2c1C[N@H+]1CCC[C@@H]1C ZINC000160892243 323137912 /nfs/dbraw/zinc/13/79/12/323137912.db2.gz CJMLSUJHEPYCTL-NSHDSACASA-N 1 0 229.327 2.627 20 70 BFIDRO CC[C@H](C)[C@H](C)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000161114889 323147738 /nfs/dbraw/zinc/14/77/38/323147738.db2.gz YYENBSUFPIMEJC-RYUDHWBXSA-N 1 0 249.354 2.982 20 70 BFIDRO CC(C)(C)CCCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161477041 487501231 /nfs/dbraw/zinc/50/12/31/487501231.db2.gz ILDHFHKAIWPGRR-NWDGAFQWSA-N 1 0 240.391 2.589 20 70 BFIDRO CC[N@H+](CCNc1nc(Cl)cs1)C1CC1 ZINC000218648176 592169816 /nfs/dbraw/zinc/16/98/16/592169816.db2.gz ARFLCXVECKGDPC-UHFFFAOYSA-N 1 0 245.779 2.693 20 70 BFIDRO Cc1cccc([C@H]2CCC[N@@H+]2CCC(C)(C)O)n1 ZINC000160363629 136221636 /nfs/dbraw/zinc/22/16/36/136221636.db2.gz OEYNNRNGQXLQNK-CQSZACIVSA-N 1 0 248.370 2.688 20 70 BFIDRO Cc1cc(NCc2ccc3c(c2)OCO3)cc[nH+]1 ZINC000160911088 178172618 /nfs/dbraw/zinc/17/26/18/178172618.db2.gz WBFYNCPCQQVSCV-UHFFFAOYSA-N 1 0 242.278 2.731 20 70 BFIDRO CCC(CC)C[NH2+]Cc1ccncc1C ZINC000160591716 168362109 /nfs/dbraw/zinc/36/21/09/168362109.db2.gz DLZCBAITJLBIOC-UHFFFAOYSA-N 1 0 206.333 2.916 20 70 BFIDRO CCc1cccc(N(C)C[C@@H]2CCC[NH2+]C2)c1 ZINC000216731789 342837001 /nfs/dbraw/zinc/83/70/01/342837001.db2.gz JQGQADBNVBZALW-CQSZACIVSA-N 1 0 232.371 2.685 20 70 BFIDRO C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)OCC1CC1 ZINC000159970670 323075327 /nfs/dbraw/zinc/07/53/27/323075327.db2.gz ZGKDUMYGRDNCRM-KBPBESRZSA-N 1 0 223.360 2.678 20 70 BFIDRO C[C@@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)C(C)(C)C ZINC000160602697 345496109 /nfs/dbraw/zinc/49/61/09/345496109.db2.gz WJVFPHVPEZFPNL-WOPDTQHZSA-N 1 0 213.365 2.562 20 70 BFIDRO CC(C)n1ccnc1C[N@H+](C)[C@@H](C)C1CC1 ZINC000160854588 345510977 /nfs/dbraw/zinc/51/09/77/345510977.db2.gz LPTDVYATGUNBGB-NSHDSACASA-N 1 0 221.348 2.694 20 70 BFIDRO C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)C1(C)CC1 ZINC000159971204 345763140 /nfs/dbraw/zinc/76/31/40/345763140.db2.gz NIIFVGHBSRIWPE-QWRGUYRKSA-N 1 0 211.349 2.722 20 70 BFIDRO Cc1cccc([C@@H]2CCC[N@H+]2CCOC(C)C)n1 ZINC000160036093 345788445 /nfs/dbraw/zinc/78/84/45/345788445.db2.gz LWSLLRKANSEDER-HNNXBMFYSA-N 1 0 248.370 2.952 20 70 BFIDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@@H](C)CCOC ZINC000160110753 345800156 /nfs/dbraw/zinc/80/01/56/345800156.db2.gz WXGRTSBZIJACFC-RWMBFGLXSA-N 1 0 243.391 2.595 20 70 BFIDRO CCNCC[NH2+]CCCC1CCCCC1 ZINC000161320250 346168446 /nfs/dbraw/zinc/16/84/46/346168446.db2.gz UEFPKGBZSXGVLJ-UHFFFAOYSA-N 1 0 212.381 2.546 20 70 BFIDRO CC[C@@H](CSC)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000217328349 346298386 /nfs/dbraw/zinc/29/83/86/346298386.db2.gz ODBNGNFRCYRMSB-WDEREUQCSA-N 1 0 231.405 2.675 20 70 BFIDRO CC[C@H](CSC)[NH2+]Cc1ccncc1Cl ZINC000217330739 346299141 /nfs/dbraw/zinc/29/91/41/346299141.db2.gz AUEGNGPGQDXOQR-SNVBAGLBSA-N 1 0 244.791 2.966 20 70 BFIDRO CC1(C)CC[N@H+](Cc2cc(O)cc(F)c2)C1 ZINC000159848958 346432593 /nfs/dbraw/zinc/43/25/93/346432593.db2.gz ZCRBKKFOPGCYST-UHFFFAOYSA-N 1 0 223.291 2.763 20 70 BFIDRO Cc1cccc(C[C@H]([NH2+]CC(C)(C)O)C2CC2)c1 ZINC000160651439 179105821 /nfs/dbraw/zinc/10/58/21/179105821.db2.gz OCXRADGGMKXXBJ-HNNXBMFYSA-N 1 0 247.382 2.677 20 70 BFIDRO CCC1(O)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000218393413 350091913 /nfs/dbraw/zinc/09/19/13/350091913.db2.gz RQOKHQHRSQAOPI-UHFFFAOYSA-N 1 0 237.318 2.563 20 70 BFIDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CCC(C)(C)C ZINC000159378261 361232433 /nfs/dbraw/zinc/23/24/33/361232433.db2.gz YGDVNPOPDWIHCB-RYUDHWBXSA-N 1 0 213.365 2.658 20 70 BFIDRO OCC1([NH2+]Cc2cc(Cl)ccc2Cl)CC1 ZINC000159649519 361276158 /nfs/dbraw/zinc/27/61/58/361276158.db2.gz QEZWGUJJCVSKOL-UHFFFAOYSA-N 1 0 246.137 2.608 20 70 BFIDRO CCC[C@@H](C)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000159988692 361296188 /nfs/dbraw/zinc/29/61/88/361296188.db2.gz JNBMNSYPBDIVEJ-NEPJUHHUSA-N 1 0 213.365 2.970 20 70 BFIDRO c1cc2c(c(C[NH+]3C[C@H]4CCC[C@@H]4C3)c1)NCC2 ZINC000160573465 183365277 /nfs/dbraw/zinc/36/52/77/183365277.db2.gz TZGJMHLYMPRQMA-ZIAGYGMSSA-N 1 0 242.366 2.887 20 70 BFIDRO c1cc(CC[N@@H+]2CC[C@@H]3CCCC[C@@H]32)ccn1 ZINC000159687834 384347558 /nfs/dbraw/zinc/34/75/58/384347558.db2.gz LFEBFDHMUDSWRY-GJZGRUSLSA-N 1 0 230.355 2.889 20 70 BFIDRO Cc1ccc([C@@H](C)[N@H+](C)CCn2ccnc2)cc1 ZINC000159750509 384353648 /nfs/dbraw/zinc/35/36/48/384353648.db2.gz SHHYSRFYNUABBS-CQSZACIVSA-N 1 0 243.354 2.885 20 70 BFIDRO CC[C@H]([NH2+]Cc1cn2c(cccc2C)n1)C1CC1 ZINC000160341235 384402668 /nfs/dbraw/zinc/40/26/68/384402668.db2.gz BOUWUKJVJAMBJW-AWEZNQCLSA-N 1 0 243.354 2.921 20 70 BFIDRO Cc1ccc(C[N@H+](C)Cc2ccc(CO)o2)cc1 ZINC000160637753 384426956 /nfs/dbraw/zinc/42/69/56/384426956.db2.gz HCGRAALDQNQLBA-UHFFFAOYSA-N 1 0 245.322 2.712 20 70 BFIDRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC(C)(C)O ZINC000160603482 384422478 /nfs/dbraw/zinc/42/24/78/384422478.db2.gz XKZYTHJMIFYGDF-CYBMUJFWSA-N 1 0 249.354 2.569 20 70 BFIDRO CC[C@](C)(O)C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000161233295 384476629 /nfs/dbraw/zinc/47/66/29/384476629.db2.gz YCWPTDRSUTXOEB-CVEARBPZSA-N 1 0 247.382 2.712 20 70 BFIDRO CCOCC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160158453 384646671 /nfs/dbraw/zinc/64/66/71/384646671.db2.gz JXLWSHGIISWTMI-AWEZNQCLSA-N 1 0 234.343 2.563 20 70 BFIDRO CSC[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000161204793 384917540 /nfs/dbraw/zinc/91/75/40/384917540.db2.gz YZOTVHPNFFTPHP-JGVFFNPUSA-N 1 0 216.375 2.545 20 70 BFIDRO CSC(C)(C)C[NH2+][C@@H](C)c1cscn1 ZINC000161217510 384928643 /nfs/dbraw/zinc/92/86/43/384928643.db2.gz NNEOFTSITODGTC-QMMMGPOBSA-N 1 0 230.402 2.935 20 70 BFIDRO CC(C)n1ccnc1CN(C)CCC(F)(F)F ZINC000160842796 384964480 /nfs/dbraw/zinc/96/44/80/384964480.db2.gz CHVIHKUPJZYARY-UHFFFAOYSA-N 1 0 249.280 2.848 20 70 BFIDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc(F)cn1 ZINC000161432453 385049602 /nfs/dbraw/zinc/04/96/02/385049602.db2.gz OIEIOORDJOGTCP-UTLUCORTSA-N 1 0 208.280 2.527 20 70 BFIDRO CCCCC[N@@H+]1CCCC[C@@H]1[C@@H](O)CC ZINC000217231726 387796415 /nfs/dbraw/zinc/79/64/15/387796415.db2.gz CGDSZZRUHWVGMU-OLZOCXBDSA-N 1 0 213.365 2.802 20 70 BFIDRO CCCCC[NH2+]CC(CC)(CC)C(=O)OC ZINC000159678132 388025917 /nfs/dbraw/zinc/02/59/17/388025917.db2.gz AHEXNFJKENNPBM-UHFFFAOYSA-N 1 0 229.364 2.746 20 70 BFIDRO CCOCCC[N@H+](C)Cc1ccc(C)s1 ZINC000160435478 388066515 /nfs/dbraw/zinc/06/65/15/388066515.db2.gz BXQCAJOPXYTXBO-UHFFFAOYSA-N 1 0 227.373 2.915 20 70 BFIDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCOCC1CC1 ZINC000160542517 388072908 /nfs/dbraw/zinc/07/29/08/388072908.db2.gz MPTXJHZIEMHJMY-VXGBXAGGSA-N 1 0 211.349 2.676 20 70 BFIDRO Cc1cnccc1C[NH2+][C@H](C)CC(C)C ZINC000160591326 388076733 /nfs/dbraw/zinc/07/67/33/388076733.db2.gz SVLBRAYQRINZIC-GFCCVEGCSA-N 1 0 206.333 2.914 20 70 BFIDRO Cc1cnccc1C[NH2+][C@H]1CC[C@H](C)C1 ZINC000160600524 388077903 /nfs/dbraw/zinc/07/79/03/388077903.db2.gz LGGVDZAQAGEGRT-GWCFXTLKSA-N 1 0 204.317 2.668 20 70 BFIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1cccc(Cl)c1 ZINC000160609446 388077929 /nfs/dbraw/zinc/07/79/29/388077929.db2.gz RGDDNLRGHQGTNK-SECBINFHSA-N 1 0 227.735 2.589 20 70 BFIDRO Cc1cnccc1C[NH2+][C@H]1CCC[C@@H]1C ZINC000160601418 388078089 /nfs/dbraw/zinc/07/80/89/388078089.db2.gz WEXJEKLHDKBPJE-GWCFXTLKSA-N 1 0 204.317 2.668 20 70 BFIDRO C[C@H](O)C(C)(C)[NH2+]CC1CCCCCC1 ZINC000160597047 388078179 /nfs/dbraw/zinc/07/81/79/388078179.db2.gz RDTNHXSKFYXLQL-NSHDSACASA-N 1 0 213.365 2.706 20 70 BFIDRO Cc1cnccc1C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000160600644 388078576 /nfs/dbraw/zinc/07/85/76/388078576.db2.gz LGGVDZAQAGEGRT-ZWNOBZJWSA-N 1 0 204.317 2.668 20 70 BFIDRO Cc1cnccc1C[NH2+][C@@H]1CCC[C@@H]1C ZINC000160601284 388078836 /nfs/dbraw/zinc/07/88/36/388078836.db2.gz WEXJEKLHDKBPJE-GXFFZTMASA-N 1 0 204.317 2.668 20 70 BFIDRO CC[C@@H](COC)[NH2+]C[C@H]1CCc2ccccc21 ZINC000161001190 133511436 /nfs/dbraw/zinc/51/14/36/133511436.db2.gz SBUZNEWLSZDZEE-KGLIPLIRSA-N 1 0 233.355 2.731 20 70 BFIDRO COC[C@H](C)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000159549619 134779304 /nfs/dbraw/zinc/77/93/04/134779304.db2.gz QGUFFEREWNINNU-HZMBPMFUSA-N 1 0 237.318 2.828 20 70 BFIDRO CCC1(CC)[C@@H]([NH2+][C@@H](C)CCOC)C[C@@H]1OC ZINC000160110498 134798956 /nfs/dbraw/zinc/79/89/56/134798956.db2.gz WXGRTSBZIJACFC-AVGNSLFASA-N 1 0 243.391 2.595 20 70 BFIDRO CCCCC[NH2+]Cc1cc(O)cc(F)c1 ZINC000159585640 397948290 /nfs/dbraw/zinc/94/82/90/397948290.db2.gz ZETYJVPHPIENCU-UHFFFAOYSA-N 1 0 211.280 2.811 20 70 BFIDRO CC1([NH2+]Cc2ccc(F)cc2F)CCC1 ZINC000160007810 168062458 /nfs/dbraw/zinc/06/24/58/168062458.db2.gz OBFCAYQVAQPHHL-UHFFFAOYSA-N 1 0 211.255 2.997 20 70 BFIDRO CCC[C@H](O)C[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000217731637 411529543 /nfs/dbraw/zinc/52/95/43/411529543.db2.gz LUFCQDHRVULGQT-AGIUHOORSA-N 1 0 213.365 2.706 20 70 BFIDRO CCc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000218063458 411618207 /nfs/dbraw/zinc/61/82/07/411618207.db2.gz HSTGWVLGCSGJHA-OKILXGFUSA-N 1 0 201.313 2.701 20 70 BFIDRO CC(C)[N@H+](C)C[C@H]1CCN(c2ccccc2)C1 ZINC000218468703 411897464 /nfs/dbraw/zinc/89/74/64/411897464.db2.gz KPHZQGDTQVSISQ-CQSZACIVSA-N 1 0 232.371 2.853 20 70 BFIDRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161423869 171364713 /nfs/dbraw/zinc/36/47/13/171364713.db2.gz MOEODTZPBYTKEY-GUTXKFCHSA-N 1 0 235.371 2.787 20 70 BFIDRO C[C@@H]1CCC[N@@H+]1Cc1cc(O)cc(F)c1 ZINC000159821759 176108990 /nfs/dbraw/zinc/10/89/90/176108990.db2.gz JWNYSKNZKPPLQS-SECBINFHSA-N 1 0 209.264 2.516 20 70 BFIDRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)C(C)(C)C ZINC000216887820 176115588 /nfs/dbraw/zinc/11/55/88/176115588.db2.gz GTRXKDQRRDHKMO-IJLUTSLNSA-N 1 0 213.365 2.656 20 70 BFIDRO C[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccco1 ZINC000160162812 323062465 /nfs/dbraw/zinc/06/24/65/323062465.db2.gz YSUVUOWBLFQETB-GFCCVEGCSA-N 1 0 248.370 2.805 20 70 BFIDRO CCc1ccc(C[NH2+][C@]2(C)CCOC2)s1 ZINC000160184862 323062846 /nfs/dbraw/zinc/06/28/46/323062846.db2.gz OIBMPQYWIVNDIS-GFCCVEGCSA-N 1 0 225.357 2.579 20 70 BFIDRO C[N@@H+](Cc1cccc(F)c1)CC1=CCCOC1 ZINC000160468840 323067850 /nfs/dbraw/zinc/06/78/50/323067850.db2.gz KQUFRDGYTDBUBP-UHFFFAOYSA-N 1 0 235.302 2.604 20 70 BFIDRO CC1(C)CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160869778 323075787 /nfs/dbraw/zinc/07/57/87/323075787.db2.gz HNVQMNBUUIPLBD-UHFFFAOYSA-N 1 0 229.327 2.566 20 70 BFIDRO C([NH2+]CC1C2CC3CC(C2)CC1C3)[C@H]1CCOC1 ZINC000216901901 490170867 /nfs/dbraw/zinc/17/08/67/490170867.db2.gz GBYJCTBAGKCLGN-WFWUXJIDSA-N 1 0 249.398 2.685 20 70 BFIDRO CC(C)CC[C@H](C)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000217645986 490477098 /nfs/dbraw/zinc/47/70/98/490477098.db2.gz SEGKTLWQCCKKHN-YNEHKIRRSA-N 1 0 213.365 2.704 20 70 BFIDRO C[NH+](C)Cc1ccc(-c2ccccn2)cc1 ZINC000218041422 592151357 /nfs/dbraw/zinc/15/13/57/592151357.db2.gz DEEOQYMOCQNCGF-UHFFFAOYSA-N 1 0 212.296 2.810 20 70 BFIDRO CCC1CCC([N@H+](C)C[C@@H](C)CO)CC1 ZINC000160964493 538913852 /nfs/dbraw/zinc/91/38/52/538913852.db2.gz UMFOSCAQMJSPHE-PNESKVBLSA-N 1 0 213.365 2.515 20 70 BFIDRO COC[C@H](C)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000159549347 345442048 /nfs/dbraw/zinc/44/20/48/345442048.db2.gz QGUFFEREWNINNU-IINYFYTJSA-N 1 0 237.318 2.828 20 70 BFIDRO COCC[NH2+]C1CCC2(CCCC2)CC1 ZINC000161359176 346170531 /nfs/dbraw/zinc/17/05/31/346170531.db2.gz LDQBWZYHNYUOQG-UHFFFAOYSA-N 1 0 211.349 2.725 20 70 BFIDRO CC[C@@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000160348449 346363434 /nfs/dbraw/zinc/36/34/34/346363434.db2.gz ZBWBPCFSEDREGN-JHJVBQTASA-N 1 0 213.365 2.562 20 70 BFIDRO Cc1nc2ccccn2c1C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000160954953 349343203 /nfs/dbraw/zinc/34/32/03/349343203.db2.gz PUJUOFBFFVGAKZ-AAEUAGOBSA-N 1 0 243.354 2.873 20 70 BFIDRO COC(C[N@@H+]1CCCC2(CCCCC2)C1)OC ZINC000161069494 349373032 /nfs/dbraw/zinc/37/30/32/349373032.db2.gz AIQZGOJPELCWNW-UHFFFAOYSA-N 1 0 241.375 2.652 20 70 BFIDRO CC(C)[N@H+](CCCN1CCCCC1)C1CC1 ZINC000161297223 349417905 /nfs/dbraw/zinc/41/79/05/349417905.db2.gz RETHXJKHMOSNDK-UHFFFAOYSA-N 1 0 224.392 2.735 20 70 BFIDRO COCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000218632044 350098249 /nfs/dbraw/zinc/09/82/49/350098249.db2.gz LHBAEAWZVGEROQ-MROQNXINSA-N 1 0 213.365 2.826 20 70 BFIDRO CC[C@@H](O)CC[NH2+]CCC1CCCCC1 ZINC000218764982 134259823 /nfs/dbraw/zinc/25/98/23/134259823.db2.gz ZGGHZTFHWJXPIJ-CYBMUJFWSA-N 1 0 213.365 2.707 20 70 BFIDRO CCC[C@H](C)C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000159988581 361295874 /nfs/dbraw/zinc/29/58/74/361295874.db2.gz JNBMNSYPBDIVEJ-NWDGAFQWSA-N 1 0 213.365 2.970 20 70 BFIDRO CCC[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000160745523 169285752 /nfs/dbraw/zinc/28/57/52/169285752.db2.gz NFKWUICMWYSWNU-DGCLKSJQSA-N 1 0 207.317 2.762 20 70 BFIDRO Cc1cc(C)cc(CC[NH2+][C@@H](C)[C@H]2CCOC2)c1 ZINC000159461771 384335788 /nfs/dbraw/zinc/33/57/88/384335788.db2.gz SWOASZKNFRPGNL-HOCLYGCPSA-N 1 0 247.382 2.861 20 70 BFIDRO c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159507854 384338007 /nfs/dbraw/zinc/33/80/07/384338007.db2.gz NJWLMTAOEBVPPY-KFWWJZLASA-N 1 0 243.350 2.734 20 70 BFIDRO Cc1ccc([C@H](C)[N@H+](C)CCn2ccnc2)cc1 ZINC000159750658 384353953 /nfs/dbraw/zinc/35/39/53/384353953.db2.gz SHHYSRFYNUABBS-AWEZNQCLSA-N 1 0 243.354 2.885 20 70 BFIDRO CC(C)(O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000160631545 384424359 /nfs/dbraw/zinc/42/43/59/384424359.db2.gz CUOAZDDIELIHNZ-CABCVRRESA-N 1 0 247.382 2.758 20 70 BFIDRO CCCCN(C(=O)[C@@H](C)[NH3+])[C@H](C)c1ccccc1 ZINC000161355938 384483120 /nfs/dbraw/zinc/48/31/20/384483120.db2.gz QVRQNVYWVFNQNJ-CHWSQXEVSA-N 1 0 248.370 2.724 20 70 BFIDRO C[C@H]([NH2+]C(C1CC1)C1CC1)c1cscn1 ZINC000161173519 384882113 /nfs/dbraw/zinc/88/21/13/384882113.db2.gz HIHIHLWNSZJUSC-QMMMGPOBSA-N 1 0 222.357 2.982 20 70 BFIDRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc(F)cn1 ZINC000161432182 385044812 /nfs/dbraw/zinc/04/48/12/385044812.db2.gz OIEIOORDJOGTCP-KXUCPTDWSA-N 1 0 208.280 2.527 20 70 BFIDRO COCC[C@H](C)[NH2+]CCCSCC(C)C ZINC000160018983 388042037 /nfs/dbraw/zinc/04/20/37/388042037.db2.gz SJZCCNRVKBZAPE-LBPRGKRZSA-N 1 0 233.421 2.780 20 70 BFIDRO C[N@H+](CCOCC1CC1)CC1CCCC1 ZINC000159787459 388030994 /nfs/dbraw/zinc/03/09/94/388030994.db2.gz HQHDDEAQPLUART-UHFFFAOYSA-N 1 0 211.349 2.535 20 70 BFIDRO CCSCC[N@H+](C)CC1CCCC1 ZINC000159787601 388031189 /nfs/dbraw/zinc/03/11/89/388031189.db2.gz PBHFEONRLNQSII-UHFFFAOYSA-N 1 0 201.379 2.862 20 70 BFIDRO CCSCC[N@H+](C[C@H](C)O)C1CCCCC1 ZINC000160312586 388058766 /nfs/dbraw/zinc/05/87/66/388058766.db2.gz CTSVAHMLRJKXLK-LBPRGKRZSA-N 1 0 245.432 2.755 20 70 BFIDRO CCOCCC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000160456528 388067452 /nfs/dbraw/zinc/06/74/52/388067452.db2.gz WQADQMABYACJJB-ZDUSSCGKSA-N 1 0 211.349 2.678 20 70 BFIDRO CCC[C@H](C)[C@@H](CC)[NH2+]CC(C)(C)O ZINC000160628510 388079343 /nfs/dbraw/zinc/07/93/43/388079343.db2.gz SDWBNARUMQJISW-WDEREUQCSA-N 1 0 201.354 2.562 20 70 BFIDRO CCC[C@@H](C)[C@H](CC)[NH2+]CC(C)(C)O ZINC000160628629 388080131 /nfs/dbraw/zinc/08/01/31/388080131.db2.gz SDWBNARUMQJISW-MNOVXSKESA-N 1 0 201.354 2.562 20 70 BFIDRO CC[C@H]1CCCC[N@@H+]1Cc1nccn1CC ZINC000160670552 388082596 /nfs/dbraw/zinc/08/25/96/388082596.db2.gz VPSOQBYQCQPAEP-LBPRGKRZSA-N 1 0 221.348 2.668 20 70 BFIDRO CCn1ccnc1C[N@H+](CC)C1CCCC1 ZINC000160796648 388091058 /nfs/dbraw/zinc/09/10/58/388091058.db2.gz VQCPFJSDUIYXKC-UHFFFAOYSA-N 1 0 221.348 2.668 20 70 BFIDRO CCC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000217738777 134250403 /nfs/dbraw/zinc/25/04/03/134250403.db2.gz IZXCPNHPZFAMJI-ZDEQEGDKSA-N 1 0 213.365 2.562 20 70 BFIDRO C[C@@H]1CC[N@H+](CCOCc2ccccc2)C1 ZINC000217779464 411539321 /nfs/dbraw/zinc/53/93/21/411539321.db2.gz INGMJGQYSFKUNV-CYBMUJFWSA-N 1 0 219.328 2.545 20 70 BFIDRO CC[C@@H]([NH2+]Cc1cn2c(cccc2C)n1)C1CC1 ZINC000160341407 170904278 /nfs/dbraw/zinc/90/42/78/170904278.db2.gz BOUWUKJVJAMBJW-CQSZACIVSA-N 1 0 243.354 2.921 20 70 BFIDRO COc1ccccc1C[N@H+](C)Cc1ccn(C)c1 ZINC000160417772 175324602 /nfs/dbraw/zinc/32/46/02/175324602.db2.gz GWQDAGVGVISOLM-UHFFFAOYSA-N 1 0 244.338 2.666 20 70 BFIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(Cl)cc1 ZINC000160622654 175945111 /nfs/dbraw/zinc/94/51/11/175945111.db2.gz FWBWNMMAVVPTCT-SECBINFHSA-N 1 0 227.735 2.589 20 70 BFIDRO C[C@H]1CCCC[N@@H+]1Cc1cc(O)cc(F)c1 ZINC000159812566 177077029 /nfs/dbraw/zinc/07/70/29/177077029.db2.gz RLJSSYDANHEIOU-JTQLQIEISA-N 1 0 223.291 2.906 20 70 BFIDRO Cc1ccc(C)c(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1 ZINC000159717636 323044571 /nfs/dbraw/zinc/04/45/71/323044571.db2.gz VSSWYWSBSPDTQP-ZBFHGGJFSA-N 1 0 247.382 2.896 20 70 BFIDRO c1cn(CC[N@H+](CC2CCCCC2)C2CC2)cn1 ZINC000159767082 323047439 /nfs/dbraw/zinc/04/74/39/323047439.db2.gz JJDBVZUGBIICPN-UHFFFAOYSA-N 1 0 247.386 2.928 20 70 BFIDRO CCc1ccc(C[NH2+]C(C)(C)[C@@H](C)O)s1 ZINC000160596767 323073411 /nfs/dbraw/zinc/07/34/11/323073411.db2.gz IJUQSPKYSGCPJT-SECBINFHSA-N 1 0 227.373 2.560 20 70 BFIDRO Cc1nc2ccccn2c1C[N@@H+](C)C1CCC1 ZINC000160800348 323135914 /nfs/dbraw/zinc/13/59/14/323135914.db2.gz ZYKXNCSJYAIKIM-UHFFFAOYSA-N 1 0 229.327 2.627 20 70 BFIDRO CC[C@H]([NH3+])C(=O)N[C@@H](C)CCC1CCCCC1 ZINC000160914998 323139095 /nfs/dbraw/zinc/13/90/95/323139095.db2.gz GSYMJWFPGISKOR-AAEUAGOBSA-N 1 0 240.391 2.589 20 70 BFIDRO CC[C@H]([NH3+])C(=O)N[C@H](C)CCC1CCCCC1 ZINC000160915149 323139146 /nfs/dbraw/zinc/13/91/46/323139146.db2.gz GSYMJWFPGISKOR-YPMHNXCESA-N 1 0 240.391 2.589 20 70 BFIDRO CC[C@H]([NH3+])C(=O)N1CCCCC[C@H]1CC(C)C ZINC000161299106 323493666 /nfs/dbraw/zinc/49/36/66/323493666.db2.gz LXHIHTBBCAZKFX-STQMWFEESA-N 1 0 240.391 2.541 20 70 BFIDRO CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)CCC(C)(C)C ZINC000159768266 488086346 /nfs/dbraw/zinc/08/63/46/488086346.db2.gz SRQZPEMSWRQNDV-VXGBXAGGSA-N 1 0 242.407 2.691 20 70 BFIDRO CC[C@@H]([NH2+]CC(C)(C)O)c1cccc(OC)c1 ZINC000160599141 535802864 /nfs/dbraw/zinc/80/28/64/535802864.db2.gz SFVVHFGCHWPXDA-CYBMUJFWSA-N 1 0 237.343 2.507 20 70 BFIDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CC(C)C ZINC000218007843 536603474 /nfs/dbraw/zinc/60/34/74/536603474.db2.gz KNVXUWVAJPAING-YNEHKIRRSA-N 1 0 213.365 2.968 20 70 BFIDRO Cc1ccc(CC[C@H](C)[NH2+]CC(C)(C)O)cc1 ZINC000160585970 178536754 /nfs/dbraw/zinc/53/67/54/178536754.db2.gz AJZGREXHYHQQHV-ZDUSSCGKSA-N 1 0 235.371 2.677 20 70 BFIDRO CC(C)[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000159600507 345445230 /nfs/dbraw/zinc/44/52/30/345445230.db2.gz QDCVEGLQXWXHEY-UHFFFAOYSA-N 1 0 224.251 2.660 20 70 BFIDRO FCCC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159619697 345448774 /nfs/dbraw/zinc/44/87/74/345448774.db2.gz YASXHYKUEGTTRB-OAHLLOKOSA-N 1 0 249.329 2.520 20 70 BFIDRO Oc1cc(F)cc(C[NH+]2CCCCCC2)c1 ZINC000159813744 345554750 /nfs/dbraw/zinc/55/47/50/345554750.db2.gz GCVFEDMBKGDMHH-UHFFFAOYSA-N 1 0 223.291 2.907 20 70 BFIDRO CCOCCC[N@@H+]1CCC[C@H]1CC(C)C ZINC000159938480 345695623 /nfs/dbraw/zinc/69/56/23/345695623.db2.gz DYQSOGWVQRZSEI-ZDUSSCGKSA-N 1 0 213.365 2.924 20 70 BFIDRO CC[C@H]1CCCC[C@H]1[NH2+]CCCc1cnn(C)c1 ZINC000161422447 346187595 /nfs/dbraw/zinc/18/75/95/346187595.db2.gz OZVWYSPFXBMRSF-LSDHHAIUSA-N 1 0 249.402 2.911 20 70 BFIDRO CC[C@@H](CSC)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000217328353 346299130 /nfs/dbraw/zinc/29/91/30/346299130.db2.gz ODBNGNFRCYRMSB-QWRGUYRKSA-N 1 0 231.405 2.675 20 70 BFIDRO CC[C@H](CSC)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000217328354 346299457 /nfs/dbraw/zinc/29/94/57/346299457.db2.gz ODBNGNFRCYRMSB-MNOVXSKESA-N 1 0 231.405 2.675 20 70 BFIDRO Cc1ccccc1[C@H](CC(C)C)NC(=O)CC[NH3+] ZINC000159691921 179340096 /nfs/dbraw/zinc/34/00/96/179340096.db2.gz KQZSTAUASVASED-AWEZNQCLSA-N 1 0 248.370 2.547 20 70 BFIDRO CCC(CC)CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000161044543 349366165 /nfs/dbraw/zinc/36/61/65/349366165.db2.gz VOIVEIRVIUASIP-CQSZACIVSA-N 1 0 224.392 2.593 20 70 BFIDRO CCC(C)(CC)C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000159472241 538111451 /nfs/dbraw/zinc/11/14/51/538111451.db2.gz WYBCLBODZZXFBZ-UHFFFAOYSA-N 1 0 249.358 2.912 20 70 BFIDRO CCSCC[N@H+](CCOC)C(CC)CC ZINC000160459018 356981965 /nfs/dbraw/zinc/98/19/65/356981965.db2.gz XXTORVNBANJPGD-UHFFFAOYSA-N 1 0 233.421 2.877 20 70 BFIDRO C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)C1(C)CC1 ZINC000159971061 361295454 /nfs/dbraw/zinc/29/54/54/361295454.db2.gz NIIFVGHBSRIWPE-GHMZBOCLSA-N 1 0 211.349 2.722 20 70 BFIDRO CCc1nnc(CN[C@@H](C)c2ccc(C)cc2)[nH]1 ZINC000160289279 361304190 /nfs/dbraw/zinc/30/41/90/361304190.db2.gz XAKRABCAEUNLBD-NSHDSACASA-N 1 0 244.342 2.526 20 70 BFIDRO CCc1nnc(CN[C@H](C)c2ccc(C)cc2)[nH]1 ZINC000160289414 361304467 /nfs/dbraw/zinc/30/44/67/361304467.db2.gz XAKRABCAEUNLBD-LLVKDONJSA-N 1 0 244.342 2.526 20 70 BFIDRO Oc1cc(F)cc(C[NH2+]C2CCCC2)c1 ZINC000159584856 183259172 /nfs/dbraw/zinc/25/91/72/183259172.db2.gz LOSAXUVDYMKBAA-UHFFFAOYSA-N 1 0 209.264 2.564 20 70 BFIDRO Cc1cc(C)cc(CC[NH2+][C@@H](C)[C@@H]2CCOC2)c1 ZINC000159461498 384335295 /nfs/dbraw/zinc/33/52/95/384335295.db2.gz SWOASZKNFRPGNL-GOEBONIOSA-N 1 0 247.382 2.861 20 70 BFIDRO c1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159507728 384335852 /nfs/dbraw/zinc/33/58/52/384335852.db2.gz NJWLMTAOEBVPPY-KKUMJFAQSA-N 1 0 243.350 2.734 20 70 BFIDRO c1csc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159519378 384339127 /nfs/dbraw/zinc/33/91/27/384339127.db2.gz UWMCRAAQCDWFQV-XQQFMLRXSA-N 1 0 249.379 2.795 20 70 BFIDRO CC(C)(O)C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000160612853 384422025 /nfs/dbraw/zinc/42/20/25/384422025.db2.gz UAGXLSNMPQFLAH-KBPBESRZSA-N 1 0 233.355 2.683 20 70 BFIDRO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccco1 ZINC000161092687 384463601 /nfs/dbraw/zinc/46/36/01/384463601.db2.gz QTKUCEQYSIPTIF-XQQFMLRXSA-N 1 0 236.359 2.803 20 70 BFIDRO Cc1ccc(CN(C)CCC[NH+]2CCCC2)o1 ZINC000161289688 384480736 /nfs/dbraw/zinc/48/07/36/384480736.db2.gz ZQGAWXHTELIVMN-UHFFFAOYSA-N 1 0 236.359 2.506 20 70 BFIDRO CCCC[C@H](C(=O)OC)[N@H+](CC)CCCC ZINC000161011505 384688747 /nfs/dbraw/zinc/68/87/47/384688747.db2.gz HZXCBSHSBRYROB-GFCCVEGCSA-N 1 0 229.364 2.840 20 70 BFIDRO CC[C@@](C)(O)C[NH+]1CCC(C(C)C)CC1 ZINC000161263158 384955481 /nfs/dbraw/zinc/95/54/81/384955481.db2.gz CENCJOGARFVEQI-CYBMUJFWSA-N 1 0 213.365 2.515 20 70 BFIDRO CSC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000161452719 385066053 /nfs/dbraw/zinc/06/60/53/385066053.db2.gz WDGGLCNOVQIENW-IUCAKERBSA-N 1 0 228.336 2.623 20 70 BFIDRO CC(C)=CC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000216737272 386794606 /nfs/dbraw/zinc/79/46/06/386794606.db2.gz YPZDYTYERZTKNN-MRXNPFEDSA-N 1 0 244.382 2.941 20 70 BFIDRO CCN1CCCC[C@H]1C[NH2+][C@H](C(C)C)C1CC1 ZINC000161208277 387148810 /nfs/dbraw/zinc/14/88/10/387148810.db2.gz GVDGTCOUPJISKT-LSDHHAIUSA-N 1 0 238.419 2.885 20 70 BFIDRO CCCCC[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000217231730 387794874 /nfs/dbraw/zinc/79/48/74/387794874.db2.gz CGDSZZRUHWVGMU-STQMWFEESA-N 1 0 213.365 2.802 20 70 BFIDRO C[C@@H](c1ccco1)[N@H+](C)CCOCC1CC1 ZINC000159757927 388029724 /nfs/dbraw/zinc/02/97/24/388029724.db2.gz BPPUGLZNHCLWPM-NSHDSACASA-N 1 0 223.316 2.699 20 70 BFIDRO CCCC[N@H+](C)Cc1cc(O)cc(F)c1 ZINC000159805340 388031773 /nfs/dbraw/zinc/03/17/73/388031773.db2.gz JPSCKKSPKQVVPT-UHFFFAOYSA-N 1 0 211.280 2.763 20 70 BFIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1cccs1 ZINC000160207945 388053865 /nfs/dbraw/zinc/05/38/65/388053865.db2.gz ABECPGCRJUGVBO-UWVGGRQHSA-N 1 0 245.413 2.513 20 70 BFIDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)O ZINC000160623312 388079502 /nfs/dbraw/zinc/07/95/02/388079502.db2.gz LAUILRKITUKNHZ-VXGBXAGGSA-N 1 0 213.365 2.706 20 70 BFIDRO CC(C)CC[C@@H](NC(=O)CCC[NH3+])C(C)(C)C ZINC000160073088 166896848 /nfs/dbraw/zinc/89/68/48/166896848.db2.gz NIYDCBWVVCWNIM-GFCCVEGCSA-N 1 0 242.407 2.692 20 70 BFIDRO CC(C)[C@H](C)[NH2+]Cc1cc(O)cc(F)c1 ZINC000159588962 397948305 /nfs/dbraw/zinc/94/83/05/397948305.db2.gz KXSZPFOOAOXFRN-VIFPVBQESA-N 1 0 211.280 2.665 20 70 BFIDRO CC(C)OCCC[NH2+][C@H](C)c1cscn1 ZINC000161137706 167223213 /nfs/dbraw/zinc/22/32/13/167223213.db2.gz DYVJAHOGLINSAC-SNVBAGLBSA-N 1 0 228.361 2.609 20 70 BFIDRO CC1([NH2+]Cc2cccc(F)c2F)CCC1 ZINC000159996638 168064435 /nfs/dbraw/zinc/06/44/35/168064435.db2.gz LMGKSBWOUSUEJO-UHFFFAOYSA-N 1 0 211.255 2.997 20 70 BFIDRO CC[C@@H](CSC)[NH2+]Cc1cnccc1C ZINC000217328467 170853511 /nfs/dbraw/zinc/85/35/11/170853511.db2.gz HLIJIAPWWFBSRS-LBPRGKRZSA-N 1 0 224.373 2.621 20 70 BFIDRO CC[C@@H]1CC[N@H+](Cc2cc(O)cc(F)c2)C1 ZINC000159851713 171011479 /nfs/dbraw/zinc/01/14/79/171011479.db2.gz ZPKKSNOZHNPBCK-SNVBAGLBSA-N 1 0 223.291 2.763 20 70 BFIDRO CC[C@@](C)(O)C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000161233421 171180954 /nfs/dbraw/zinc/18/09/54/171180954.db2.gz YCWPTDRSUTXOEB-HZPDHXFCSA-N 1 0 247.382 2.712 20 70 BFIDRO COCC[C@@H](C)[NH2+]CCC1Cc2ccccc2C1 ZINC000159728236 174383232 /nfs/dbraw/zinc/38/32/32/174383232.db2.gz CTMCGKLHZKZUBM-CYBMUJFWSA-N 1 0 247.382 2.806 20 70 BFIDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccccn1 ZINC000159383673 175915448 /nfs/dbraw/zinc/91/54/48/175915448.db2.gz UDHCEEYOYOILQK-QHSBEEBCSA-N 1 0 246.354 2.690 20 70 BFIDRO CCC[C@H](C)[NH2+]C[C@](C)(O)CCC(C)C ZINC000159373181 323026362 /nfs/dbraw/zinc/02/63/62/323026362.db2.gz BTYWYSBSSHNFAX-QWHCGFSZSA-N 1 0 215.381 2.952 20 70 BFIDRO COC[C@H]([NH2+]CCc1cc(C)cc(C)c1)C1CC1 ZINC000159519020 323033430 /nfs/dbraw/zinc/03/34/30/323033430.db2.gz PHQWBEIXMGBAQB-INIZCTEOSA-N 1 0 247.382 2.861 20 70 BFIDRO C[C@H]([NH2+]CCc1ccco1)c1cscn1 ZINC000161138881 323037094 /nfs/dbraw/zinc/03/70/94/323037094.db2.gz PSPVXNRGDDHWGY-VIFPVBQESA-N 1 0 222.313 2.629 20 70 BFIDRO C[N@@H+](Cc1cnc2ccccn12)CC1CCC1 ZINC000160348986 323065014 /nfs/dbraw/zinc/06/50/14/323065014.db2.gz WKCGRFIOTPBOJY-UHFFFAOYSA-N 1 0 229.327 2.566 20 70 BFIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)N(CC)CC ZINC000160587930 323073177 /nfs/dbraw/zinc/07/31/77/323073177.db2.gz SPKCTLGMMMDWHB-STQMWFEESA-N 1 0 242.407 2.611 20 70 BFIDRO Cc1cnccc1C[NH2+]CCC(C)(C)C ZINC000160601828 323073446 /nfs/dbraw/zinc/07/34/46/323073446.db2.gz YKHRDUBJSNVPDH-UHFFFAOYSA-N 1 0 206.333 2.916 20 70 BFIDRO Cc1cccc(C)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000160387412 488127314 /nfs/dbraw/zinc/12/73/14/488127314.db2.gz CWYQQCHERYECFR-YUELXQCFSA-N 1 0 231.339 2.713 20 70 BFIDRO CC[C@@H]1CCCC[N@@H+]1Cc1nccn1CC ZINC000160670419 529274253 /nfs/dbraw/zinc/27/42/53/529274253.db2.gz VPSOQBYQCQPAEP-GFCCVEGCSA-N 1 0 221.348 2.668 20 70 BFIDRO c1cc(C[NH2+]CC23CC4CC(CC(C4)C2)C3)no1 ZINC000216851914 584943706 /nfs/dbraw/zinc/94/37/06/584943706.db2.gz DPRMLRWKYUDAFD-UHFFFAOYSA-N 1 0 246.354 2.981 20 70 BFIDRO C[C@@H]([N@H+](C)Cc1cnc2ccccn12)C1(C)CC1 ZINC000161442657 349449493 /nfs/dbraw/zinc/44/94/93/349449493.db2.gz BDEAHBSHQREAGT-GFCCVEGCSA-N 1 0 243.354 2.955 20 70 BFIDRO C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1ccccn1 ZINC000160889515 538913405 /nfs/dbraw/zinc/91/34/05/538913405.db2.gz GOJYUPPRFPZSGY-GHMZBOCLSA-N 1 0 204.317 2.778 20 70 BFIDRO CC(C)[C@H]1CCN(CC(=O)c2ccccc2F)C1 ZINC000160753124 362169035 /nfs/dbraw/zinc/16/90/35/362169035.db2.gz PGETWDCODOFMGI-LBPRGKRZSA-N 1 0 249.329 2.986 20 70 BFIDRO CCC(CC)C[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000161046076 345216461 /nfs/dbraw/zinc/21/64/61/345216461.db2.gz FRAFJSFHUAOWGX-YPMHNXCESA-N 1 0 213.365 2.658 20 70 BFIDRO COC[C@@H](C)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000159549492 345442001 /nfs/dbraw/zinc/44/20/01/345442001.db2.gz QGUFFEREWNINNU-QMTHXVAHSA-N 1 0 237.318 2.828 20 70 BFIDRO CCCc1noc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)n1 ZINC000160547062 345495572 /nfs/dbraw/zinc/49/55/72/345495572.db2.gz JWSVVMIHSDQLLY-RYUDHWBXSA-N 1 0 249.358 2.787 20 70 BFIDRO c1ccc(CC[N@@H+]2CC[C@@H]3CCCC[C@@H]32)nc1 ZINC000159682233 345465726 /nfs/dbraw/zinc/46/57/26/345465726.db2.gz GXENWQRDSBUOQO-ZFWWWQNUSA-N 1 0 230.355 2.889 20 70 BFIDRO c1cc(CN2CC=C(c3ccccc3)CC2)n[nH]1 ZINC000159762276 345514785 /nfs/dbraw/zinc/51/47/85/345514785.db2.gz JQMWTWQHPHNBDJ-UHFFFAOYSA-N 1 0 239.322 2.699 20 70 BFIDRO CCC1(CC)[C@H]([NH2+][C@@H](C)CCOC)C[C@H]1OC ZINC000160110634 345800280 /nfs/dbraw/zinc/80/02/80/345800280.db2.gz WXGRTSBZIJACFC-YNEHKIRRSA-N 1 0 243.391 2.595 20 70 BFIDRO CC[C@@H](CSC)[NH2+]Cc1ccncc1Cl ZINC000217330737 346299604 /nfs/dbraw/zinc/29/96/04/346299604.db2.gz AUEGNGPGQDXOQR-JTQLQIEISA-N 1 0 244.791 2.966 20 70 BFIDRO CC[C@@H](O)C[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000160348734 346363208 /nfs/dbraw/zinc/36/32/08/346363208.db2.gz ZBWBPCFSEDREGN-UPJWGTAASA-N 1 0 213.365 2.562 20 70 BFIDRO CC(C)n1ccnc1C[N@H+](C)[C@H](C)C1CC1 ZINC000160854729 346467668 /nfs/dbraw/zinc/46/76/68/346467668.db2.gz LPTDVYATGUNBGB-LLVKDONJSA-N 1 0 221.348 2.694 20 70 BFIDRO Cc1n[nH]cc1C[N@@H+](C)Cc1ccccc1C ZINC000160529391 179269988 /nfs/dbraw/zinc/26/99/88/179269988.db2.gz LZWVKERTUPFFRA-UHFFFAOYSA-N 1 0 229.327 2.659 20 70 BFIDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1cnc2ccccn12 ZINC000160898234 349336462 /nfs/dbraw/zinc/33/64/62/349336462.db2.gz JSMXIRBUIPCZEH-QWHCGFSZSA-N 1 0 243.354 2.955 20 70 BFIDRO CC[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161232619 349404845 /nfs/dbraw/zinc/40/48/45/349404845.db2.gz QMGLLBDCJLLDED-UHFFFAOYSA-N 1 0 243.354 2.961 20 70 BFIDRO CCc1cccc(N(C)C[C@H]2CCC[NH2+]C2)c1 ZINC000216731828 350012928 /nfs/dbraw/zinc/01/29/28/350012928.db2.gz JQGQADBNVBZALW-AWEZNQCLSA-N 1 0 232.371 2.685 20 70 BFIDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)C(C)(C)C ZINC000161142972 351082774 /nfs/dbraw/zinc/08/27/74/351082774.db2.gz NHMWPOJZSCWIAE-NSHDSACASA-N 1 0 249.354 2.982 20 70 BFIDRO CCCC[C@H](CC)CC(=O)N1CCC[C@H]1C[NH3+] ZINC000160219991 353260532 /nfs/dbraw/zinc/26/05/32/353260532.db2.gz YZCRQWMJANYJSO-STQMWFEESA-N 1 0 240.391 2.543 20 70 BFIDRO CC[C@H](C)[N@H+](CC)CCC(=O)OC(C)(C)C ZINC000160219296 353738025 /nfs/dbraw/zinc/73/80/25/353738025.db2.gz QHVLJYULZAXFHO-NSHDSACASA-N 1 0 229.364 2.839 20 70 BFIDRO C[C@H](C[NH2+][C@@H](C)c1ccccn1)C1CC1 ZINC000160889250 538456173 /nfs/dbraw/zinc/45/61/73/538456173.db2.gz GOJYUPPRFPZSGY-MNOVXSKESA-N 1 0 204.317 2.778 20 70 BFIDRO CCC1CCC([N@H+](C)C[C@H](C)CO)CC1 ZINC000160964633 538456191 /nfs/dbraw/zinc/45/61/91/538456191.db2.gz UMFOSCAQMJSPHE-HIFPTAJRSA-N 1 0 213.365 2.515 20 70 BFIDRO C[C@H](O)C[N@H+](C)Cc1cc2ccccc2s1 ZINC000159528705 538877610 /nfs/dbraw/zinc/87/76/10/538877610.db2.gz YFRINRXBZNGUKL-JTQLQIEISA-N 1 0 235.352 2.714 20 70 BFIDRO CCOCCC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160399941 538884622 /nfs/dbraw/zinc/88/46/22/538884622.db2.gz ALAAZQXMSPAQDD-OAHLLOKOSA-N 1 0 248.370 2.954 20 70 BFIDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)cc1C ZINC000159472201 361238264 /nfs/dbraw/zinc/23/82/64/361238264.db2.gz GXWSXDYIOBILNB-UKRRQHHQSA-N 1 0 233.355 2.506 20 70 BFIDRO CC[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)C1CC1 ZINC000159946906 361296164 /nfs/dbraw/zinc/29/61/64/361296164.db2.gz JFHLTUZBIUVKQQ-NEPJUHHUSA-N 1 0 211.349 2.722 20 70 BFIDRO c1ccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159507997 384337702 /nfs/dbraw/zinc/33/77/02/384337702.db2.gz NJWLMTAOEBVPPY-ILXRZTDVSA-N 1 0 243.350 2.734 20 70 BFIDRO Cc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)o1 ZINC000159636384 384346037 /nfs/dbraw/zinc/34/60/37/384346037.db2.gz VBVGNZFJIPSXRC-MCIONIFRSA-N 1 0 247.338 2.635 20 70 BFIDRO COC[C@H]([NH2+]CCC(C)(C)C)c1ccco1 ZINC000159668377 384349013 /nfs/dbraw/zinc/34/90/13/384349013.db2.gz JYMORFONRDIKSQ-NSHDSACASA-N 1 0 225.332 2.993 20 70 BFIDRO CC[C@@H](C)C[N@H+](CC)[C@H](C(N)=O)c1ccccc1 ZINC000160538088 384416818 /nfs/dbraw/zinc/41/68/18/384416818.db2.gz RGJCMXWTXNVGTP-OCCSQVGLSA-N 1 0 248.370 2.581 20 70 BFIDRO CC[C@@H]([NH2+]CC(C)(C)O)c1cc(F)ccc1F ZINC000160605876 384423377 /nfs/dbraw/zinc/42/33/77/384423377.db2.gz DUDSIJDOVPLYNH-GFCCVEGCSA-N 1 0 243.297 2.776 20 70 BFIDRO Cc1ccnc(N[C@@H]2CCOC(C)(C)C2)c1 ZINC000160721381 384432050 /nfs/dbraw/zinc/43/20/50/384432050.db2.gz PKOLRAWIXRBVMT-LLVKDONJSA-N 1 0 220.316 2.760 20 70 BFIDRO Cc1ccc(CN(C)CC[C@H]2CCC[N@@H+]2C)o1 ZINC000161288640 384479528 /nfs/dbraw/zinc/47/95/28/384479528.db2.gz IKTQODATJDYTLW-CYBMUJFWSA-N 1 0 236.359 2.504 20 70 BFIDRO Cc1occc1CN(C)CC[C@H]1CCC[N@@H+]1C ZINC000161474213 384493371 /nfs/dbraw/zinc/49/33/71/384493371.db2.gz WKWIYPVTANWCKF-CQSZACIVSA-N 1 0 236.359 2.504 20 70 BFIDRO C[C@H]([NH2+]CC1CCCC1)c1cscn1 ZINC000161166878 384867042 /nfs/dbraw/zinc/86/70/42/384867042.db2.gz GIUOCGBRXFKNDU-VIFPVBQESA-N 1 0 210.346 2.984 20 70 BFIDRO CC[C@](C)(O)C[NH+]1CCC(C(C)C)CC1 ZINC000161263047 384954073 /nfs/dbraw/zinc/95/40/73/384954073.db2.gz CENCJOGARFVEQI-ZDUSSCGKSA-N 1 0 213.365 2.515 20 70 BFIDRO CSC[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000161204593 384917930 /nfs/dbraw/zinc/91/79/30/384917930.db2.gz YZOTVHPNFFTPHP-YUMQZZPRSA-N 1 0 216.375 2.545 20 70 BFIDRO CSC[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000161204678 384919732 /nfs/dbraw/zinc/91/97/32/384919732.db2.gz YZOTVHPNFFTPHP-SFYZADRCSA-N 1 0 216.375 2.545 20 70 BFIDRO CO[C@H](C)c1nc(C[NH2+]CC(C)C)cs1 ZINC000161061964 385067897 /nfs/dbraw/zinc/06/78/97/385067897.db2.gz IPFSKQLFTRSEBJ-SECBINFHSA-N 1 0 228.361 2.596 20 70 BFIDRO CC[C@H]([NH3+])C(=O)N(C)[C@@H](C)c1cc(C)ccc1C ZINC000161309032 387185555 /nfs/dbraw/zinc/18/55/55/387185555.db2.gz YOYXOWCPPBVCEY-JSGCOSHPSA-N 1 0 248.370 2.560 20 70 BFIDRO c1ccc([C@H]2CC[N@@H+](CCOCC3CC3)C2)cc1 ZINC000159808160 388032006 /nfs/dbraw/zinc/03/20/06/388032006.db2.gz VIAGVOVUDXFAHE-INIZCTEOSA-N 1 0 245.366 2.903 20 70 BFIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cccs1 ZINC000160208193 388053439 /nfs/dbraw/zinc/05/34/39/388053439.db2.gz ABECPGCRJUGVBO-VHSXEESVSA-N 1 0 245.413 2.513 20 70 BFIDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000160527850 388072274 /nfs/dbraw/zinc/07/22/74/388072274.db2.gz LQJXNXFXSHLMSV-GRYCIOLGSA-N 1 0 211.349 2.722 20 70 BFIDRO CC[NH+](CC)Cc1ncc(C)c(OC)c1C ZINC000160965576 388106512 /nfs/dbraw/zinc/10/65/12/388106512.db2.gz GWWKRMYDZZAZEA-UHFFFAOYSA-N 1 0 222.332 2.549 20 70 BFIDRO Clc1ccc(CC[NH2+]CC2CC2)s1 ZINC000218152788 388577186 /nfs/dbraw/zinc/57/71/86/388577186.db2.gz ZFUOTBNLFSSNQS-UHFFFAOYSA-N 1 0 215.749 2.944 20 70 BFIDRO Fc1cncc(C[NH2+]C2CCCCC2)c1 ZINC000160123919 134798964 /nfs/dbraw/zinc/79/89/64/134798964.db2.gz OHRUBNDQHMSNJZ-UHFFFAOYSA-N 1 0 208.280 2.643 20 70 BFIDRO CSC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cn1 ZINC000161453082 397733922 /nfs/dbraw/zinc/73/39/22/397733922.db2.gz WDGGLCNOVQIENW-RKDXNWHRSA-N 1 0 228.336 2.623 20 70 BFIDRO CC[NH2+]CCNCc1cccc(Cl)c1Cl ZINC000161330305 170115815 /nfs/dbraw/zinc/11/58/15/170115815.db2.gz MPQGJPZIQOZOLK-UHFFFAOYSA-N 1 0 247.169 2.693 20 70 BFIDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccncc1C ZINC000160594107 171389864 /nfs/dbraw/zinc/38/98/64/171389864.db2.gz VECKNZSECGPUCC-JQWIXIFHSA-N 1 0 206.333 2.914 20 70 BFIDRO COCCCC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160395883 174192040 /nfs/dbraw/zinc/19/20/40/174192040.db2.gz OAQAYPYCGIBUEC-HNNXBMFYSA-N 1 0 248.370 2.954 20 70 BFIDRO COc1ccc(N[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000217923636 175155003 /nfs/dbraw/zinc/15/50/03/175155003.db2.gz DCFAYOWMNNOLDU-YWPYICTPSA-N 1 0 248.370 2.836 20 70 BFIDRO C[C@H]1CCC[N@@H+]1Cc1cc(O)cc(F)c1 ZINC000159821908 177110255 /nfs/dbraw/zinc/11/02/55/177110255.db2.gz JWNYSKNZKPPLQS-VIFPVBQESA-N 1 0 209.264 2.516 20 70 BFIDRO COC[C@@H]([NH2+]CCc1cc(C)cc(C)c1)C1CC1 ZINC000159519146 323033437 /nfs/dbraw/zinc/03/34/37/323033437.db2.gz PHQWBEIXMGBAQB-MRXNPFEDSA-N 1 0 247.382 2.861 20 70 BFIDRO C[C@H](NC1CC[NH+](CC2CC2)CC1)c1ccco1 ZINC000160162676 323062559 /nfs/dbraw/zinc/06/25/59/323062559.db2.gz YSUVUOWBLFQETB-LBPRGKRZSA-N 1 0 248.370 2.805 20 70 BFIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)N(CC)CC ZINC000160587799 323073159 /nfs/dbraw/zinc/07/31/59/323073159.db2.gz SPKCTLGMMMDWHB-OLZOCXBDSA-N 1 0 242.407 2.611 20 70 BFIDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)C(C)(C)C ZINC000160602969 323073460 /nfs/dbraw/zinc/07/34/60/323073460.db2.gz WJVFPHVPEZFPNL-UTUOFQBUSA-N 1 0 213.365 2.562 20 70 BFIDRO COC[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)C(C)C ZINC000160992696 323142719 /nfs/dbraw/zinc/14/27/19/323142719.db2.gz YWMMHKAICHAUSK-GOEBONIOSA-N 1 0 247.382 2.977 20 70 BFIDRO CCCCC[C@H](C)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000217617627 592142964 /nfs/dbraw/zinc/14/29/64/592142964.db2.gz DOETXJBWYBYBNS-RWMBFGLXSA-N 1 0 213.365 2.848 20 70 BFIDRO CC[C@H](C)[N@H+](C)CCNc1nc(Cl)cs1 ZINC000218765162 592179063 /nfs/dbraw/zinc/17/90/63/592179063.db2.gz LYQHOJWWPLXIAT-QMMMGPOBSA-N 1 0 247.795 2.939 20 70 BFIDRO Cn1ccc(C[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000161145174 398205717 /nfs/dbraw/zinc/20/57/17/398205717.db2.gz KEGCMBIHVXTBDI-UHFFFAOYSA-N 1 0 232.302 2.796 20 70 BFIDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCC(C)(C)O)n1 ZINC000160363493 136221639 /nfs/dbraw/zinc/22/16/39/136221639.db2.gz OEYNNRNGQXLQNK-AWEZNQCLSA-N 1 0 248.370 2.688 20 70 BFIDRO CCC([NH3+])(CC)CNC(=O)C[C@@H](C)CC(C)C ZINC000160517165 168415614 /nfs/dbraw/zinc/41/56/14/168415614.db2.gz XZJSFISROITQRL-LBPRGKRZSA-N 1 0 242.407 2.692 20 70 BFIDRO Cc1nccn1CCC[N@@H+](C)CC1CCCC1 ZINC000161503170 136277243 /nfs/dbraw/zinc/27/72/43/136277243.db2.gz QRTVYTXOZUPWJK-UHFFFAOYSA-N 1 0 235.375 2.704 20 70 BFIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)NCC(C)C ZINC000160534290 323070237 /nfs/dbraw/zinc/07/02/37/323070237.db2.gz QUHSGHCWYMEADY-STQMWFEESA-N 1 0 242.407 2.515 20 70 BFIDRO COCCC[N@H+](CCOC)CCC1CCCC1 ZINC000159479622 345436554 /nfs/dbraw/zinc/43/65/54/345436554.db2.gz XHXHXPKRROAECE-UHFFFAOYSA-N 1 0 243.391 2.552 20 70 BFIDRO Cc1ccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)cc1C ZINC000159472053 345436936 /nfs/dbraw/zinc/43/69/36/345436936.db2.gz GXWSXDYIOBILNB-HIFRSBDPSA-N 1 0 233.355 2.506 20 70 BFIDRO Cc1cccc(C[N@H+](C)CCOCC2CC2)c1 ZINC000159513135 345438961 /nfs/dbraw/zinc/43/89/61/345438961.db2.gz WGLOHPDPXVBNEL-UHFFFAOYSA-N 1 0 233.355 2.853 20 70 BFIDRO FCCC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159619838 345448760 /nfs/dbraw/zinc/44/87/60/345448760.db2.gz YASXHYKUEGTTRB-HNNXBMFYSA-N 1 0 249.329 2.520 20 70 BFIDRO CC[N@H+](Cc1cc(O)cc(F)c1)C(C)C ZINC000159817724 345551464 /nfs/dbraw/zinc/55/14/64/345551464.db2.gz JKKMECZDKQYQAT-UHFFFAOYSA-N 1 0 211.280 2.762 20 70 BFIDRO CC[C@H]1CCC[N@@H+]1Cc1cc(O)cc(F)c1 ZINC000159821603 345552634 /nfs/dbraw/zinc/55/26/34/345552634.db2.gz OGZMRBQMTLWGRJ-LBPRGKRZSA-N 1 0 223.291 2.906 20 70 BFIDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(O)cc(F)c1 ZINC000159853726 345569416 /nfs/dbraw/zinc/56/94/16/345569416.db2.gz QMFHFKMLJWRABQ-VHSXEESVSA-N 1 0 223.291 2.762 20 70 BFIDRO C[N@H+](CCOCC1CC1)C(C1CC1)C1CC1 ZINC000159866678 345573599 /nfs/dbraw/zinc/57/35/99/345573599.db2.gz RFTBFYKELCAMJO-UHFFFAOYSA-N 1 0 223.360 2.533 20 70 BFIDRO CCN1CCCC[C@@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000161170239 323149699 /nfs/dbraw/zinc/14/96/99/323149699.db2.gz GJWJLSXEAPNJAM-CQSZACIVSA-N 1 0 236.403 2.639 20 70 BFIDRO Cc1ccccc1C[N@@H+](C)Cc1ccn(C)c1 ZINC000160520937 179269509 /nfs/dbraw/zinc/26/95/09/179269509.db2.gz MKSBOBKXFNPABM-UHFFFAOYSA-N 1 0 228.339 2.966 20 70 BFIDRO Cc1ccccc1[C@@H](NC(=O)CCC[NH3+])C(C)C ZINC000159690836 179324718 /nfs/dbraw/zinc/32/47/18/179324718.db2.gz SAAVKXXUESFBET-HNNXBMFYSA-N 1 0 248.370 2.547 20 70 BFIDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2cnc3ccccn23)C1 ZINC000160898100 349336222 /nfs/dbraw/zinc/33/62/22/349336222.db2.gz JSMXIRBUIPCZEH-CHWSQXEVSA-N 1 0 243.354 2.955 20 70 BFIDRO Cc1nccn1CCCC[NH+]1CCCCCC1 ZINC000161242616 349414986 /nfs/dbraw/zinc/41/49/86/349414986.db2.gz ZYLIZRXOHVOCRL-UHFFFAOYSA-N 1 0 235.375 2.848 20 70 BFIDRO CC[C@H]1CC[N@H+](Cc2ccc(O)cc2)C1 ZINC000159473516 538877211 /nfs/dbraw/zinc/87/72/11/538877211.db2.gz YQTDSBMLUJPXMY-NSHDSACASA-N 1 0 205.301 2.624 20 70 BFIDRO [NH3+]C[C@H]1CCCCN1C/C=C\c1ccccc1 ZINC000217600611 357910009 /nfs/dbraw/zinc/91/00/09/357910009.db2.gz JYPAZHKMWSSXIJ-WUKHSURWSA-N 1 0 230.355 2.513 20 70 BFIDRO CCn1ccnc1C[NH2+]C(C)(CC)CC ZINC000217810535 372014102 /nfs/dbraw/zinc/01/41/02/372014102.db2.gz ZKTAWZQRFXLHBL-UHFFFAOYSA-N 1 0 209.337 2.571 20 70 BFIDRO c1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cs1 ZINC000159622887 183353986 /nfs/dbraw/zinc/35/39/86/183353986.db2.gz IEJKGLSONBWZNJ-UPJWGTAASA-N 1 0 249.379 2.795 20 70 BFIDRO c1csc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159519512 183520514 /nfs/dbraw/zinc/52/05/14/183520514.db2.gz UWMCRAAQCDWFQV-AVGNSLFASA-N 1 0 249.379 2.795 20 70 BFIDRO CCC(CC)C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000160449579 383868334 /nfs/dbraw/zinc/86/83/34/383868334.db2.gz ANSCHEKUNDWNGQ-GFCCVEGCSA-N 1 0 213.365 2.970 20 70 BFIDRO C[C@@H](O)C[N@H+](C)[C@@H]1CCc2c1cccc2Cl ZINC000159553764 384340020 /nfs/dbraw/zinc/34/00/20/384340020.db2.gz AVNNWQKKLVQTLZ-NOZJJQNGSA-N 1 0 239.746 2.640 20 70 BFIDRO Cc1ccoc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159632775 384345251 /nfs/dbraw/zinc/34/52/51/384345251.db2.gz UUSVIAGJGHRCBK-YUTCNCBUSA-N 1 0 247.338 2.635 20 70 BFIDRO Cc1ccoc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159632994 384346326 /nfs/dbraw/zinc/34/63/26/384346326.db2.gz UUSVIAGJGHRCBK-BNOWGMLFSA-N 1 0 247.338 2.635 20 70 BFIDRO CC[N@H+](CCn1ccnc1)Cc1ccccc1C ZINC000159723771 384350716 /nfs/dbraw/zinc/35/07/16/384350716.db2.gz VGUVTVBIZIZGLA-UHFFFAOYSA-N 1 0 243.354 2.714 20 70 BFIDRO Cc1ccnc(N[C@H]2CCOC(C)(C)C2)c1 ZINC000160721513 384431542 /nfs/dbraw/zinc/43/15/42/384431542.db2.gz PKOLRAWIXRBVMT-NSHDSACASA-N 1 0 220.316 2.760 20 70 BFIDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)C(C)(C)C ZINC000160135935 384632581 /nfs/dbraw/zinc/63/25/81/384632581.db2.gz CDJJFMYBBFNXNB-RYUDHWBXSA-N 1 0 214.397 2.741 20 70 BFIDRO CC[C@@](C)(O)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000161120919 385264908 /nfs/dbraw/zinc/26/49/08/385264908.db2.gz WOZKMKVLFRKDEW-CABCVRRESA-N 1 0 237.387 2.970 20 70 BFIDRO COC[C@@H]([NH2+]CCC(C)(C)C)c1ccco1 ZINC000159668488 386086647 /nfs/dbraw/zinc/08/66/47/386086647.db2.gz JYMORFONRDIKSQ-LLVKDONJSA-N 1 0 225.332 2.993 20 70 BFIDRO CCSCC[NH+]1CCC(CC)CC1 ZINC000159427715 388014254 /nfs/dbraw/zinc/01/42/54/388014254.db2.gz MVVUCXNZFVPJOC-UHFFFAOYSA-N 1 0 201.379 2.862 20 70 BFIDRO CCSCC[NH+]1CCC(OCC(C)C)CC1 ZINC000159473876 388016525 /nfs/dbraw/zinc/01/65/25/388016525.db2.gz IKIFRYZIJJLFOU-UHFFFAOYSA-N 1 0 245.432 2.877 20 70 BFIDRO CCC[N@H+](CCc1nccs1)C(C)C ZINC000159790224 388031151 /nfs/dbraw/zinc/03/11/51/388031151.db2.gz LFCQTTSTXBTSGE-UHFFFAOYSA-N 1 0 212.362 2.806 20 70 BFIDRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000160528069 388073259 /nfs/dbraw/zinc/07/32/59/388073259.db2.gz LQJXNXFXSHLMSV-IJLUTSLNSA-N 1 0 211.349 2.722 20 70 BFIDRO C[C@H]1CCC[C@H](C)[NH+]1CCOCC1CC1 ZINC000160542421 388073879 /nfs/dbraw/zinc/07/38/79/388073879.db2.gz MPTXJHZIEMHJMY-RYUDHWBXSA-N 1 0 211.349 2.676 20 70 BFIDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccccc1Cl ZINC000160598004 388077937 /nfs/dbraw/zinc/07/79/37/388077937.db2.gz FFLWBFKEKVMDDE-VIFPVBQESA-N 1 0 227.735 2.589 20 70 BFIDRO CC(C)(C)CC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000159956134 134795639 /nfs/dbraw/zinc/79/56/39/134795639.db2.gz YYDSKENTNSJPEG-NSHDSACASA-N 1 0 213.365 2.970 20 70 BFIDRO CC[C@@H](C)[C@H](C)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161424009 170791117 /nfs/dbraw/zinc/79/11/17/170791117.db2.gz MOEODTZPBYTKEY-IPYPFGDCSA-N 1 0 235.371 2.787 20 70 BFIDRO CCc1nc([C@@H](C)[NH2+]CCC(C)(C)O)cs1 ZINC000159845897 172003304 /nfs/dbraw/zinc/00/33/04/172003304.db2.gz PQPDOJLMIOWGDW-SECBINFHSA-N 1 0 242.388 2.517 20 70 BFIDRO C[C@@H]([NH2+]CCC(C)(C)O)[C@@H](C)c1ccccc1 ZINC000159610716 176022691 /nfs/dbraw/zinc/02/26/91/176022691.db2.gz BVBPCUBYVYUBOI-CHWSQXEVSA-N 1 0 235.371 2.929 20 70 BFIDRO c1cn(CC[N@H+](CC2CC2)C2CCCCC2)cn1 ZINC000159803914 323048828 /nfs/dbraw/zinc/04/88/28/323048828.db2.gz JIZYKJOOHNYUJG-UHFFFAOYSA-N 1 0 247.386 2.928 20 70 BFIDRO Cc1nc2ccccn2c1C[N@H+](C)CC1CCC1 ZINC000160349256 323065010 /nfs/dbraw/zinc/06/50/10/323065010.db2.gz CASKLHWVSVOWSI-UHFFFAOYSA-N 1 0 243.354 2.875 20 70 BFIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)c1nnc(C)o1 ZINC000160597582 323073336 /nfs/dbraw/zinc/07/33/36/323073336.db2.gz BPHRSTTXRRUELX-ZJUUUORDSA-N 1 0 225.336 2.807 20 70 BFIDRO C[N@@H+](Cc1ccc(F)cc1)CC1=CCCOC1 ZINC000161149282 323149236 /nfs/dbraw/zinc/14/92/36/323149236.db2.gz HFJMGIKTKRKVHA-UHFFFAOYSA-N 1 0 235.302 2.604 20 70 BFIDRO Cn1cc(CCC[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cn1 ZINC000159728913 488080680 /nfs/dbraw/zinc/08/06/80/488080680.db2.gz AKHZZTCQDZWDHT-GJZGRUSLSA-N 1 0 247.386 2.617 20 70 BFIDRO CCOCCC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159973594 488094845 /nfs/dbraw/zinc/09/48/45/488094845.db2.gz DYKPIJYDKAGTRZ-STQMWFEESA-N 1 0 211.349 2.678 20 70 BFIDRO CC(C)(C)CCCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161477431 487499802 /nfs/dbraw/zinc/49/98/02/487499802.db2.gz ILDHFHKAIWPGRR-NEPJUHHUSA-N 1 0 240.391 2.589 20 70 BFIDRO C[C@H]1CCC[C@@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000217999010 592151441 /nfs/dbraw/zinc/15/14/41/592151441.db2.gz GQTBVMLQDNNGIB-NWDGAFQWSA-N 1 0 237.391 2.869 20 70 BFIDRO Cc1nccn1CCCC[N@@H+](C(C)C)C1CC1 ZINC000161493463 349465390 /nfs/dbraw/zinc/46/53/90/349465390.db2.gz WDOCEERRZUKMQT-UHFFFAOYSA-N 1 0 235.375 2.845 20 70 BFIDRO CC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000160348320 201710268 /nfs/dbraw/zinc/71/02/68/201710268.db2.gz ZBWBPCFSEDREGN-YNEHKIRRSA-N 1 0 213.365 2.562 20 70 BFIDRO Cc1ccc(C[N@H+](C)CCOCC2CC2)s1 ZINC000160433598 178548053 /nfs/dbraw/zinc/54/80/53/178548053.db2.gz WHEJSLJBWOWGFJ-UHFFFAOYSA-N 1 0 239.384 2.915 20 70 BFIDRO CC[C@@H](c1ccc(F)cc1F)[N@H+](C)C[C@@H](C)O ZINC000159371099 345428768 /nfs/dbraw/zinc/42/87/68/345428768.db2.gz BTLIFPGDHOOHMF-RNCFNFMXSA-N 1 0 243.297 2.729 20 70 BFIDRO COC[C@@H](C)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000159549777 345442164 /nfs/dbraw/zinc/44/21/64/345442164.db2.gz QGUFFEREWNINNU-YGRLFVJLSA-N 1 0 237.318 2.828 20 70 BFIDRO Cc1cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)no1 ZINC000159624622 345449892 /nfs/dbraw/zinc/44/98/92/345449892.db2.gz FSJFNMSGAQVBJX-AAEUAGOBSA-N 1 0 220.316 2.748 20 70 BFIDRO C(c1nc(C2CC2)no1)[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159695698 345470087 /nfs/dbraw/zinc/47/00/87/345470087.db2.gz SWRVGMNWVAQQCS-JQWIXIFHSA-N 1 0 247.342 2.712 20 70 BFIDRO Cc1cccc([C@H]2CCC[N@@H+]2CC2CC2)n1 ZINC000159926204 345662519 /nfs/dbraw/zinc/66/25/19/345662519.db2.gz YTJLZOVBPPMPMR-CQSZACIVSA-N 1 0 216.328 2.937 20 70 BFIDRO CC(C)C[C@@H]1CCC[N@@H+]1CCOCC1CC1 ZINC000159937084 345693927 /nfs/dbraw/zinc/69/39/27/345693927.db2.gz NPBXMEYNTDNGPL-AWEZNQCLSA-N 1 0 225.376 2.924 20 70 BFIDRO C[N@@H+](CC(=O)OC(C)(C)C)CC1CCCCC1 ZINC000217454727 345744083 /nfs/dbraw/zinc/74/40/83/345744083.db2.gz AQMVZENAORBNLC-UHFFFAOYSA-N 1 0 241.375 2.840 20 70 BFIDRO C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(O)c2)C1 ZINC000161297688 346167175 /nfs/dbraw/zinc/16/71/75/346167175.db2.gz IWPHKJRLIGFHKY-MNOVXSKESA-N 1 0 205.301 2.623 20 70 BFIDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cccc(O)c1 ZINC000161297966 346167354 /nfs/dbraw/zinc/16/73/54/346167354.db2.gz IWPHKJRLIGFHKY-WDEREUQCSA-N 1 0 205.301 2.623 20 70 BFIDRO CCSCC[C@@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000161462662 346212149 /nfs/dbraw/zinc/21/21/49/346212149.db2.gz ANXQUNRSDOPUQS-VXGBXAGGSA-N 1 0 231.405 2.677 20 70 BFIDRO CC[C@H](CSC)[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000217329900 346299613 /nfs/dbraw/zinc/29/96/13/346299613.db2.gz NTQFYQIEXBKLBY-IJLUTSLNSA-N 1 0 231.405 2.675 20 70 BFIDRO CCS[C@H]1CCCC[N@H+](C[C@@](C)(O)CC)C1 ZINC000161070720 349373190 /nfs/dbraw/zinc/37/31/90/349373190.db2.gz SVJQMQAGQMWUID-STQMWFEESA-N 1 0 245.432 2.755 20 70 BFIDRO c1nc2ccccc2n1CCC[NH+]1CCCCC1 ZINC000218377801 350091388 /nfs/dbraw/zinc/09/13/88/350091388.db2.gz KDICEWDRSWBJCQ-UHFFFAOYSA-N 1 0 243.354 2.912 20 70 BFIDRO CCCC[N@H+](C)CCNC(=O)CCC(C)(C)C ZINC000159949486 351126121 /nfs/dbraw/zinc/12/61/21/351126121.db2.gz FJUAVVFAJDXDNE-UHFFFAOYSA-N 1 0 242.407 2.661 20 70 BFIDRO Cc1ccc(CC[N@@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000159729235 188158804 /nfs/dbraw/zinc/15/88/04/188158804.db2.gz XOWLBCHMUZQEKM-CVEARBPZSA-N 1 0 247.382 2.630 20 70 BFIDRO Fc1ccccc1C[N@H+](C[C@@H]1CCCO1)C1CC1 ZINC000160775499 181011973 /nfs/dbraw/zinc/01/19/73/181011973.db2.gz XIPDKPUACRBBAN-AWEZNQCLSA-N 1 0 249.329 2.969 20 70 BFIDRO CC[N@H+](CCOCC1CC1)Cc1ccoc1 ZINC000160247277 355671077 /nfs/dbraw/zinc/67/10/77/355671077.db2.gz WKFSJMMWVMCKRN-UHFFFAOYSA-N 1 0 223.316 2.528 20 70 BFIDRO CC(C)C[N@H+](C[C@H](C)CO)C1CCCC1 ZINC000160934107 538456143 /nfs/dbraw/zinc/45/61/43/538456143.db2.gz KVAVHYRZIYPBPV-LBPRGKRZSA-N 1 0 213.365 2.515 20 70 BFIDRO CC[C@@H]1CC[N@H+](Cc2ccc(O)cc2)C1 ZINC000159473389 538877410 /nfs/dbraw/zinc/87/74/10/538877410.db2.gz YQTDSBMLUJPXMY-LLVKDONJSA-N 1 0 205.301 2.624 20 70 BFIDRO CCC[N@H+](Cc1ccccc1)Cc1cncnc1 ZINC000160474278 538884895 /nfs/dbraw/zinc/88/48/95/538884895.db2.gz QAVMFUPHRPVJNG-UHFFFAOYSA-N 1 0 241.338 2.889 20 70 BFIDRO CCc1ncc(C[NH2+][C@H](C)C2CCC2)s1 ZINC000160180751 538883661 /nfs/dbraw/zinc/88/36/61/538883661.db2.gz OJRFTWZPKHBGAK-SECBINFHSA-N 1 0 224.373 2.984 20 70 BFIDRO CC[C@H]([NH2+][C@H]1CCOC(C)(C)C1)C1CC1 ZINC000159947084 361295753 /nfs/dbraw/zinc/29/57/53/361295753.db2.gz JFHLTUZBIUVKQQ-RYUDHWBXSA-N 1 0 211.349 2.722 20 70 BFIDRO C([NH2+]C1CCOCC1)C1C2CC3CC(C2)CC1C3 ZINC000216699694 371793990 /nfs/dbraw/zinc/79/39/90/371793990.db2.gz SPVSKSNCXQQKMZ-UHFFFAOYSA-N 1 0 249.398 2.827 20 70 BFIDRO c1cc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)cs1 ZINC000159623016 183353696 /nfs/dbraw/zinc/35/36/96/183353696.db2.gz IEJKGLSONBWZNJ-AGIUHOORSA-N 1 0 249.379 2.795 20 70 BFIDRO c1cn(CC[N@@H+]2CCC[C@@H]2c2ccccc2)cn1 ZINC000159692881 384352663 /nfs/dbraw/zinc/35/26/63/384352663.db2.gz GMYTVMHGCGMZAN-OAHLLOKOSA-N 1 0 241.338 2.720 20 70 BFIDRO C[N@H+](Cc1cc(O)cc(F)c1)C1CCCC1 ZINC000159803512 384357311 /nfs/dbraw/zinc/35/73/11/384357311.db2.gz JPBMUEJZTPSCQE-UHFFFAOYSA-N 1 0 223.291 2.906 20 70 BFIDRO Cc1cc(C)cc(CC[NH2+][C@H](C)[C@@H]2CCOC2)c1 ZINC000159461658 384334864 /nfs/dbraw/zinc/33/48/64/384334864.db2.gz SWOASZKNFRPGNL-GDBMZVCRSA-N 1 0 247.382 2.861 20 70 BFIDRO Cc1ccc(C[N@H+](C)CC2=CCCOC2)cc1 ZINC000160639750 384426174 /nfs/dbraw/zinc/42/61/74/384426174.db2.gz BHNGDZISQBVJAQ-UHFFFAOYSA-N 1 0 231.339 2.774 20 70 BFIDRO CC[C@H]([NH2+]CC(C)(C)O)c1cc(F)ccc1F ZINC000160605746 384421990 /nfs/dbraw/zinc/42/19/90/384421990.db2.gz DUDSIJDOVPLYNH-LBPRGKRZSA-N 1 0 243.297 2.776 20 70 BFIDRO CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC(C)(C)O ZINC000160608334 384422559 /nfs/dbraw/zinc/42/25/59/384422559.db2.gz ZAOVPNSCTZSDEN-AWEZNQCLSA-N 1 0 235.371 2.677 20 70 BFIDRO CCc1cc(=O)[nH]c(C[N@@H+](CC)C2CCCC2)n1 ZINC000160871681 384442639 /nfs/dbraw/zinc/44/26/39/384442639.db2.gz PRKYUNQYNFORMT-UHFFFAOYSA-N 1 0 249.358 2.509 20 70 BFIDRO CCCC[C@H](C(=O)OC)[N@H+](CC)CC(C)C ZINC000161012258 384739585 /nfs/dbraw/zinc/73/95/85/384739585.db2.gz DBZQFYDYFOBHPA-GFCCVEGCSA-N 1 0 229.364 2.696 20 70 BFIDRO CC[C@@](C)(O)C[N@@H+]1CCC[C@@](C)(CC)C1 ZINC000161311717 384966293 /nfs/dbraw/zinc/96/62/93/384966293.db2.gz AWUQCRDDUBDLOB-CHWSQXEVSA-N 1 0 213.365 2.660 20 70 BFIDRO CCc1ccc(C[N@H+](CC)CCCO)s1 ZINC000161299754 387186049 /nfs/dbraw/zinc/18/60/49/387186049.db2.gz INQSPUSNPWLXGP-UHFFFAOYSA-N 1 0 227.373 2.515 20 70 BFIDRO C(C[N@@H+]1CCC[C@@H]1C1CCC1)OCC1CC1 ZINC000160454639 388067386 /nfs/dbraw/zinc/06/73/86/388067386.db2.gz CQVWXYIHBOBSSA-CQSZACIVSA-N 1 0 223.360 2.678 20 70 BFIDRO C[C@@H](O)C(C)(C)[NH2+]CC1CCCCCC1 ZINC000160597154 388078794 /nfs/dbraw/zinc/07/87/94/388078794.db2.gz RDTNHXSKFYXLQL-LLVKDONJSA-N 1 0 213.365 2.706 20 70 BFIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](CC)C(C)C ZINC000160124842 388048636 /nfs/dbraw/zinc/04/86/36/388048636.db2.gz NMWVUPFOYIONCM-OLZOCXBDSA-N 1 0 214.397 2.741 20 70 BFIDRO CCC([NH3+])(CC)CNC(=O)C(C)(C)CC(C)C ZINC000160464421 133643322 /nfs/dbraw/zinc/64/33/22/133643322.db2.gz LGXWRGZYYFEMMG-UHFFFAOYSA-N 1 0 242.407 2.692 20 70 BFIDRO CC[C@H](COC)[NH2+]CCCc1cccc(F)c1 ZINC000159808457 134791063 /nfs/dbraw/zinc/79/10/63/134791063.db2.gz QEASRIPULHNMLQ-CQSZACIVSA-N 1 0 239.334 2.773 20 70 BFIDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)C(C)C)c1 ZINC000160169429 134800641 /nfs/dbraw/zinc/80/06/41/134800641.db2.gz WNJGSHVNHISFOX-GFCCVEGCSA-N 1 0 248.370 2.570 20 70 BFIDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CCC(C)(C)O ZINC000159611092 397765181 /nfs/dbraw/zinc/76/51/81/397765181.db2.gz BVBPCUBYVYUBOI-STQMWFEESA-N 1 0 235.371 2.929 20 70 BFIDRO C[C@H](Cc1ccccc1F)[NH2+]CC1CC1 ZINC000161006589 410450125 /nfs/dbraw/zinc/45/01/25/410450125.db2.gz WKHGGNXHTJBKQS-SNVBAGLBSA-N 1 0 207.292 2.756 20 70 BFIDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccncc1C ZINC000160594004 170790793 /nfs/dbraw/zinc/79/07/93/170790793.db2.gz VECKNZSECGPUCC-PWSUYJOCSA-N 1 0 206.333 2.914 20 70 BFIDRO CC[C@@H](CSC)Nc1cc[nH+]c(C)c1 ZINC000217383809 170853897 /nfs/dbraw/zinc/85/38/97/170853897.db2.gz ZIOIBQIOMIZBCC-JTQLQIEISA-N 1 0 210.346 2.944 20 70 BFIDRO CC[C@H](O)CC[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000218758588 412108006 /nfs/dbraw/zinc/10/80/06/412108006.db2.gz QOZSLHFZABKIQS-AGIUHOORSA-N 1 0 213.365 2.706 20 70 BFIDRO COCCCC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160396016 174191998 /nfs/dbraw/zinc/19/19/98/174191998.db2.gz OAQAYPYCGIBUEC-OAHLLOKOSA-N 1 0 248.370 2.954 20 70 BFIDRO COc1ccccc1C[NH2+]C1(C)CCC1 ZINC000160009266 175329332 /nfs/dbraw/zinc/32/93/32/175329332.db2.gz MNWRUOSFMZPFFI-UHFFFAOYSA-N 1 0 205.301 2.727 20 70 BFIDRO C[C@H](c1cccs1)[N@H+](C)CCn1ccnc1 ZINC000159756927 177048564 /nfs/dbraw/zinc/04/85/64/177048564.db2.gz PAZPZQVUJFKFMS-LLVKDONJSA-N 1 0 235.356 2.638 20 70 BFIDRO C[C@H]1CCC[N@H+](Cc2cc(O)cc(F)c2)C1 ZINC000159813597 177100505 /nfs/dbraw/zinc/10/05/05/177100505.db2.gz POBLFPHLVAJLNV-JTQLQIEISA-N 1 0 223.291 2.763 20 70 BFIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)NCC(C)C ZINC000160534174 323070354 /nfs/dbraw/zinc/07/03/54/323070354.db2.gz QUHSGHCWYMEADY-OLZOCXBDSA-N 1 0 242.407 2.515 20 70 BFIDRO CC(C)[C@H](C)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000161120225 323075882 /nfs/dbraw/zinc/07/58/82/323075882.db2.gz MXDLRLQVQURUDW-NSHDSACASA-N 1 0 235.327 2.592 20 70 BFIDRO C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)[C@H]1CCOC1 ZINC000160965720 323140865 /nfs/dbraw/zinc/14/08/65/323140865.db2.gz UVBROUIMPMNXAZ-QEJZJMRPSA-N 1 0 245.366 2.731 20 70 BFIDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CC(C)C ZINC000218007759 536592636 /nfs/dbraw/zinc/59/26/36/536592636.db2.gz KNVXUWVAJPAING-RWMBFGLXSA-N 1 0 213.365 2.968 20 70 BFIDRO CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000217617490 592142857 /nfs/dbraw/zinc/14/28/57/592142857.db2.gz DOETXJBWYBYBNS-YNEHKIRRSA-N 1 0 213.365 2.848 20 70 BFIDRO