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]1C[C@H]1[C@@H](C)[NH2+]Cc1ccccc1 307462489 325641037 /nfs/dbraw/zinc/64/10/37/325641037.db2.gz JVXHKAJOUIRREW-NQBHXWOUSA-N 1 0 189.302 2.821 50 0 AFAARO Cc1cc(N)ccc1[NH+]1CCCCC1 57363451 132193343 /nfs/dbraw/zinc/19/33/43/132193343.db2.gz STKBMPIDGFXBIL-UHFFFAOYSA-N 1 0 190.290 2.568 50 0 in-vitro AFAARO CC(C)[C@@H]1C[C@H](C[NH3+])c2ccccc21 108300671 133421390 /nfs/dbraw/zinc/42/13/90/133421390.db2.gz IXNJXKWLGWEMEC-MFKMUULPSA-N 1 0 189.302 2.872 50 0 AFAARO CC[C@H]1CO[C@](C)(CCC(C)C)[NH2+]1 155951 342928934 /nfs/dbraw/zinc/92/89/34/342928934.db2.gz QJMLZAWFWIPNOD-WDEREUQCSA-N 1 0 185.311 2.537 50 0 AFAARO c1cncc(C[NH2+]C2CCCCC2)c1 215688 342931674 /nfs/dbraw/zinc/93/16/74/342931674.db2.gz ZMEDRAGEALQOBI-UHFFFAOYSA-N 1 0 190.290 2.504 50 0 in-vitro AFAARO CCC(CC)[NH2+][C@@H]1CCCC[C@@H]1OC 228139 342931699 /nfs/dbraw/zinc/93/16/99/342931699.db2.gz IEQCOANFCVABQA-NEPJUHHUSA-N 1 0 199.338 2.722 50 0 AFAARO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccco1 293039 342932838 /nfs/dbraw/zinc/93/28/38/342932838.db2.gz NBHGOQKKOCVQLI-CMPLNLGQSA-N 1 0 193.290 2.948 50 0 AFAARO C[NH+]1C(C)(C)CCCC1(C)C 1482137 342945714 /nfs/dbraw/zinc/94/57/14/342945714.db2.gz XULIXFLCVXWHRF-UHFFFAOYSA-N 1 0 155.285 2.659 50 0 world AFAARO C[C@H]([NH2+]Cc1ccccc1)C1CC1 1509830 342946204 /nfs/dbraw/zinc/94/62/04/342946204.db2.gz IAFIYTMWMGDDQD-JTQLQIEISA-N 1 0 175.275 2.575 50 0 in-vitro AFAARO CC[n+]1c(C)ccc2cc(C)ccc21 1555588 342947042 /nfs/dbraw/zinc/94/70/42/342947042.db2.gz UYUXPPWWYBYWQE-UHFFFAOYSA-N 1 0 186.278 2.764 50 0 AFAARO C[C@H]1C[C@H](c2ccccc2)CC[NH2+]1 1662170 342954849 /nfs/dbraw/zinc/95/48/49/342954849.db2.gz IVPJZROSRBWYLS-CMPLNLGQSA-N 1 0 175.275 2.542 50 0 in-vitro AFAARO CC[n+]1c(C)cc(C)c2ccccc21 1665747 342955244 /nfs/dbraw/zinc/95/52/44/342955244.db2.gz FYGBVODFWPHLOM-UHFFFAOYSA-N 1 0 186.278 2.764 50 0 AFAARO CCCCOc1ccc([C@H](C)[NH3+])cc1 2013745 342966462 /nfs/dbraw/zinc/96/64/62/342966462.db2.gz ANOJLHQGMTVKNE-JTQLQIEISA-N 1 0 193.290 2.885 50 0 AFAARO CCCCOc1ccc([C@@H](C)[NH3+])cc1 2013743 342966506 /nfs/dbraw/zinc/96/65/06/342966506.db2.gz ANOJLHQGMTVKNE-SNVBAGLBSA-N 1 0 193.290 2.885 50 0 AFAARO C[NH2+]CCCCSc1ccccc1 2191179 342970816 /nfs/dbraw/zinc/97/08/16/342970816.db2.gz GYHVAXKIKUPRPO-UHFFFAOYSA-N 1 0 195.331 2.778 50 0 AFAARO CCC[NH2+]Cc1cc2ccccc2o1 2496810 342972728 /nfs/dbraw/zinc/97/27/28/342972728.db2.gz LKVZANJAUJOWGI-UHFFFAOYSA-N 1 0 189.258 2.932 50 0 AFAARO Cc1cc([C@H](C)[NH3+])ccc1Cl 3705637 342983690 /nfs/dbraw/zinc/98/36/90/342983690.db2.gz ZZOSBFSBUHOOTJ-ZETCQYMHSA-N 1 0 169.655 2.668 50 0 AFAARO CC(C)Cc1ccc([C@H](C)[NH3+])cc1 3705369 342983698 /nfs/dbraw/zinc/98/36/98/342983698.db2.gz OLAOEFIPECGPEM-JTQLQIEISA-N 1 0 177.291 2.905 50 0 in-vitro AFAARO CCC(CC)[C@@H]1CCCC[NH2+]1 3734659 342984462 /nfs/dbraw/zinc/98/44/62/342984462.db2.gz WDIGSSBTCZVWBL-JTQLQIEISA-N 1 0 155.285 2.565 50 0 in-vitro AFAARO CCC(CC)[C@H]1CCCCC[NH2+]1 3734997 342984476 /nfs/dbraw/zinc/98/44/76/342984476.db2.gz MKNCRONSZUFJNA-LLVKDONJSA-N 1 0 169.312 2.955 50 0 in-vitro AFAARO CCC(CC)[C@H]1CCCC[NH2+]1 3734658 342984483 /nfs/dbraw/zinc/98/44/83/342984483.db2.gz WDIGSSBTCZVWBL-SNVBAGLBSA-N 1 0 155.285 2.565 50 0 in-vitro AFAARO CCCCC[C@H]1CCCC[NH2+]1 3734434 342984521 /nfs/dbraw/zinc/98/45/21/342984521.db2.gz HBIBRQBCQFXEDA-JTQLQIEISA-N 1 0 155.285 2.709 50 0 AFAARO CCCC[C@H]1CCCCC[NH2+]1 3734917 342984522 /nfs/dbraw/zinc/98/45/22/342984522.db2.gz GSLRTQOKVFSYHT-JTQLQIEISA-N 1 0 155.285 2.709 50 0 in-vitro AFAARO Cc1cccc(C[C@H]2CCCC[NH2+]2)c1 3734652 342984531 /nfs/dbraw/zinc/98/45/31/342984531.db2.gz JHOMCRVWZINNGV-CYBMUJFWSA-N 1 0 189.302 2.680 50 0 in-vitro AFAARO CCC(CC)[C@@H]1CCCCC[NH2+]1 3734998 342984536 /nfs/dbraw/zinc/98/45/36/342984536.db2.gz MKNCRONSZUFJNA-NSHDSACASA-N 1 0 169.312 2.955 50 0 in-vitro AFAARO C[NH+](C)CC1C2CC3CC(C2)CC1C3 3121410 342980838 /nfs/dbraw/zinc/98/08/38/342980838.db2.gz JZLNCOHIPGEARI-UHFFFAOYSA-N 1 0 193.334 2.620 50 0 AFAARO CC[C@H]([NH3+])c1ccc(C)cc1C 4298905 342990425 /nfs/dbraw/zinc/99/04/25/342990425.db2.gz CUMKAEFZXDVXGM-NSHDSACASA-N 1 0 163.264 2.713 50 0 in-vitro AFAARO Cc1ccc(C[NH2+]CC(C)C)s1 4657472 342993491 /nfs/dbraw/zinc/99/34/91/342993491.db2.gz WSQUNPHJIMWQDV-UHFFFAOYSA-N 1 0 183.320 2.802 50 0 AFAARO CC[C@@H]([NH3+])c1ccc(C)c(C)c1 4298908 342990465 /nfs/dbraw/zinc/99/04/65/342990465.db2.gz WCTLOIPMQALXLC-LLVKDONJSA-N 1 0 163.264 2.713 50 0 in-vitro AFAARO CC[C@@H]([NH3+])c1ccc(C)cc1C 4298906 342990469 /nfs/dbraw/zinc/99/04/69/342990469.db2.gz CUMKAEFZXDVXGM-LLVKDONJSA-N 1 0 163.264 2.713 50 0 in-vitro AFAARO CC[C@H]([NH3+])c1ccc(C)c(C)c1 4298907 342990472 /nfs/dbraw/zinc/99/04/72/342990472.db2.gz WCTLOIPMQALXLC-NSHDSACASA-N 1 0 163.264 2.713 50 0 in-vitro AFAARO CC[C@H]([NH3+])c1ccc2c(c1)CCCC2 4938436 342996910 /nfs/dbraw/zinc/99/69/10/342996910.db2.gz QTSMNFDLNTZOCT-ZDUSSCGKSA-N 1 0 189.302 2.975 50 0 AFAARO Cc1cc(C[NH3+])c2[nH]c(C)c(C)c2c1 4943460 342996922 /nfs/dbraw/zinc/99/69/22/342996922.db2.gz HZZZEHAXBWZLDU-UHFFFAOYSA-N 1 0 188.274 2.552 50 0 in-vitro AFAARO CCOC1=CC(=[NH2+])CC(C)(C)C1 5285456 343000758 /nfs/dbraw/zinc/00/07/58/343000758.db2.gz SEQJHGPDUXYADM-UHFFFAOYSA-N 1 0 167.252 2.747 50 0 AFAARO CC(C)[C@H]1[NH2+]CCc2ccccc21 5284977 343000759 /nfs/dbraw/zinc/00/07/59/343000759.db2.gz ZGSAVXFMPOZYTJ-GFCCVEGCSA-N 1 0 175.275 2.529 50 0 in-vitro AFAARO Cc1cccc(N2CCCC2=[NH2+])c1 5602962 343005578 /nfs/dbraw/zinc/00/55/78/343005578.db2.gz VZUJTDIFCCEUPN-UHFFFAOYSA-N 1 0 174.247 2.572 50 0 AFAARO CCCC[NH2+]Cc1ccc(C)cc1 5792827 343008550 /nfs/dbraw/zinc/00/85/50/343008550.db2.gz HJAGHNRKHZQVEK-UHFFFAOYSA-N 1 0 177.291 2.885 50 0 in-vitro AFAARO CCCC[NH2+]Cc1ccc(F)cc1 5792829 343008552 /nfs/dbraw/zinc/00/85/52/343008552.db2.gz SZEFNSDEEORQSF-UHFFFAOYSA-N 1 0 181.254 2.715 50 0 in-vitro AFAARO CCCCC[NH2+][C@H](C)CCC 5820691 343008785 /nfs/dbraw/zinc/00/87/85/343008785.db2.gz ZHGJYFYOVKKNQY-SNVBAGLBSA-N 1 0 157.301 2.955 50 0 AFAARO CC[C@H](C)[NH2+]Cc1ccccc1OC 5907942 343009485 /nfs/dbraw/zinc/00/94/85/343009485.db2.gz MRINNIJISAVYPH-JTQLQIEISA-N 1 0 193.290 2.583 50 0 AFAARO CC[C@H](C)[NH2+]Cc1cccs1 5907951 343009502 /nfs/dbraw/zinc/00/95/02/343009502.db2.gz UPNAXMIPDHAVNJ-QMMMGPOBSA-N 1 0 169.293 2.636 50 0 AFAARO CCCCC[NH2+]Cc1ccco1 7261358 343017289 /nfs/dbraw/zinc/01/72/89/343017289.db2.gz QLQNAPGOFSHZMR-UHFFFAOYSA-N 1 0 167.252 2.559 50 0 AFAARO CCCC[NH2+]Cc1sccc1C 7261610 343017318 /nfs/dbraw/zinc/01/73/18/343017318.db2.gz CPRAFZHFARXMIU-UHFFFAOYSA-N 1 0 183.320 2.946 50 0 AFAARO CC[C@H](C)[NH2+]Cc1cccc(OC)c1 8326763 343018313 /nfs/dbraw/zinc/01/83/13/343018313.db2.gz ORPHYGSUWZTHAY-JTQLQIEISA-N 1 0 193.290 2.583 50 0 AFAARO CC[C@H](C)[NH2+]Cc1ccccc1F 8326789 343018327 /nfs/dbraw/zinc/01/83/27/343018327.db2.gz YMNDDCDZEXRZEW-VIFPVBQESA-N 1 0 181.254 2.714 50 0 in-vitro AFAARO Cc1ccc(C[NH2+]C(C)C)s1 10435901 343022114 /nfs/dbraw/zinc/02/21/14/343022114.db2.gz QSEGGAKJDUJEOG-UHFFFAOYSA-N 1 0 169.293 2.555 50 0 in-vitro AFAARO Cc1ccc2c(c1)CC[NH2+][C@H]2C(C)C 11597430 343022995 /nfs/dbraw/zinc/02/29/95/343022995.db2.gz INNMFMOPTDRNQK-ZDUSSCGKSA-N 1 0 189.302 2.838 50 0 AFAARO CC[C@@H]1[NH2+]CCc2cc(C)ccc21 11597424 343023044 /nfs/dbraw/zinc/02/30/44/343023044.db2.gz FTJWBLHFTAFSNQ-LBPRGKRZSA-N 1 0 175.275 2.592 50 0 AFAARO CC(C)c1ccc(CCC[NH3+])cc1 11596882 343023071 /nfs/dbraw/zinc/02/30/71/343023071.db2.gz RNWADJRXWKNYLC-UHFFFAOYSA-N 1 0 177.291 2.701 50 0 in-vitro AFAARO CC[C@H]1[NH2+]CCc2cc(C)ccc21 11597426 343023075 /nfs/dbraw/zinc/02/30/75/343023075.db2.gz FTJWBLHFTAFSNQ-GFCCVEGCSA-N 1 0 175.275 2.592 50 0 AFAARO Cc1nc([C@@H]([NH3+])CC(C)C)sc1C 11631842 343023539 /nfs/dbraw/zinc/02/35/39/343023539.db2.gz MSQVPRZBGCMQFY-VIFPVBQESA-N 1 0 198.335 2.806 50 0 AFAARO Cc1ccc(C[C@@H]2CCC[NH2+]2)cc1C 11630849 343023542 /nfs/dbraw/zinc/02/35/42/343023542.db2.gz RQVINXPNJAMRFB-ZDUSSCGKSA-N 1 0 189.302 2.598 50 0 AFAARO Cc1nc([C@H]([NH3+])CC(C)C)sc1C 11631841 343023554 /nfs/dbraw/zinc/02/35/54/343023554.db2.gz MSQVPRZBGCMQFY-SECBINFHSA-N 1 0 198.335 2.806 50 0 AFAARO CC(C)[NH2+]CCSc1ccccc1 19094334 343051514 /nfs/dbraw/zinc/05/15/14/343051514.db2.gz KANQDWOEYFTAOB-UHFFFAOYSA-N 1 0 195.331 2.777 50 0 in-vitro AFAARO C[NH2+]CCCSc1ccc(C)cc1 19094134 343051560 /nfs/dbraw/zinc/05/15/60/343051560.db2.gz KTQNNOAWVALFCL-UHFFFAOYSA-N 1 0 195.331 2.697 50 0 in-vitro AFAARO CC[C@H]([NH3+])c1ccc(Cl)s1 19737257 343060042 /nfs/dbraw/zinc/06/00/42/343060042.db2.gz CQHFAMGIJTYXRN-YFKPBYRVSA-N 1 0 175.684 2.811 50 0 in-vitro AFAARO CCC[NH2+][C@@H](C)c1ccc(OC)cc1 19515617 343057248 /nfs/dbraw/zinc/05/72/48/343057248.db2.gz NJWPPJUUTQZMPF-JTQLQIEISA-N 1 0 193.290 2.756 50 0 AFAARO CC(C)[C@@H](C)[NH2+]Cc1ccccc1F 19950105 343064884 /nfs/dbraw/zinc/06/48/84/343064884.db2.gz YXRJZVOPZHUEJK-SNVBAGLBSA-N 1 0 195.281 2.960 50 0 AFAARO CC(C)[C@H](C)[NH2+]Cc1ccccc1F 19950109 343064947 /nfs/dbraw/zinc/06/49/47/343064947.db2.gz YXRJZVOPZHUEJK-JTQLQIEISA-N 1 0 195.281 2.960 50 0 AFAARO CC(C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C 19963285 343065357 /nfs/dbraw/zinc/06/53/57/343065357.db2.gz DEHOCXVAHNPINL-OUAUKWLOSA-N 1 0 169.312 2.809 50 0 AFAARO Cc1ccc([C@@H]([NH3+])C(C)C)c(C)c1 19971361 343065746 /nfs/dbraw/zinc/06/57/46/343065746.db2.gz IHRSMIIGKOIKJE-LBPRGKRZSA-N 1 0 177.291 2.959 50 0 AFAARO CCCC[NH2+][C@H](C)[C@H](C)CC 20088109 343067556 /nfs/dbraw/zinc/06/75/56/343067556.db2.gz JBYHEMBDJKKPBU-NXEZZACHSA-N 1 0 157.301 2.811 50 0 AFAARO Cc1c([C@@H](C)[NH3+])oc2ccccc12 21949999 343075944 /nfs/dbraw/zinc/07/59/44/343075944.db2.gz RPFUXVGRERMSGL-MRVPVSSYSA-N 1 0 175.231 2.761 50 0 in-vitro AFAARO C[C@H]([NH2+]C1CC1)c1ccc(F)c(F)c1 22148484 343079828 /nfs/dbraw/zinc/07/98/28/343079828.db2.gz TVSRSAQNSZJCFL-ZETCQYMHSA-N 1 0 197.228 2.778 50 0 AFAARO CC[C@@H]([NH2+]C1CC1)c1ccccc1 22150506 343079861 /nfs/dbraw/zinc/07/98/61/343079861.db2.gz NHDWNHGNLZNXLR-GFCCVEGCSA-N 1 0 175.275 2.890 50 0 AFAARO Cc1ccc(Nc2cc[nH+]cc2N)cc1 20585744 343074402 /nfs/dbraw/zinc/07/44/02/343074402.db2.gz NTNIVUMTQZQDMU-UHFFFAOYSA-N 1 0 199.257 2.716 50 0 in-vitro AFAARO CC1(C)CCC[C@@](C)(C[NH3+])C1 34415013 343118873 /nfs/dbraw/zinc/11/88/73/343118873.db2.gz PZVANPGBOPAOIK-SNVBAGLBSA-N 1 0 155.285 2.552 50 0 AFAARO CCCC[C@H](C[NH3+])CCC 34291019 343115761 /nfs/dbraw/zinc/11/57/61/343115761.db2.gz CUEUXLBCXLPVSU-SECBINFHSA-N 1 0 143.274 2.552 50 0 in-vitro AFAARO [NH3+]Cc1ccccc1Nc1ccccc1 34627516 343124086 /nfs/dbraw/zinc/12/40/86/343124086.db2.gz PGFFGECEBOFNBH-UHFFFAOYSA-N 1 0 198.269 2.889 50 0 AFAARO Cc1ccc(C[NH2+]C(C)C)cc1F 34958928 343126286 /nfs/dbraw/zinc/12/62/86/343126286.db2.gz IXCNWOMIWXEJQI-UHFFFAOYSA-N 1 0 181.254 2.632 50 0 AFAARO CC[C@H](C)[NH2+]CCc1cccc(F)c1 36778629 343149902 /nfs/dbraw/zinc/14/99/02/343149902.db2.gz VLQXVXHUKKIUAT-JTQLQIEISA-N 1 0 195.281 2.756 50 0 AFAARO Cc1cccc(C[NH2+]C2CC2)c1C 36923308 343154445 /nfs/dbraw/zinc/15/44/45/343154445.db2.gz CRIMYHBFDHWKQY-UHFFFAOYSA-N 1 0 175.275 2.555 50 0 in-vitro AFAARO Cc1c([C@@H](C)[NH3+])oc2ccc(F)cc12 36928745 343155255 /nfs/dbraw/zinc/15/52/55/343155255.db2.gz GMYNJYUMIFYTFP-SSDOTTSWSA-N 1 0 193.221 2.900 50 0 in-vitro AFAARO CCC[NH2+]Cc1ccc(C)c(OC)c1 36947860 343156013 /nfs/dbraw/zinc/15/60/13/343156013.db2.gz REDDBVSTNYAFNA-UHFFFAOYSA-N 1 0 193.290 2.503 50 0 AFAARO C[C@H]([NH3+])c1cc2cccc(F)c2o1 37034700 343157981 /nfs/dbraw/zinc/15/79/81/343157981.db2.gz ZHXVJVZBABOKCU-LURJTMIESA-N 1 0 179.194 2.592 50 0 in-vitro AFAARO CC[C@@H](Cc1ccc(C)cc1)[NH2+]C 37468586 343169528 /nfs/dbraw/zinc/16/95/28/343169528.db2.gz KBSOMARSARDZFM-LBPRGKRZSA-N 1 0 177.291 2.536 50 0 in-vitro AFAARO CC[C@@H]([NH3+])c1cc(C)cc(C)c1 37746145 343177598 /nfs/dbraw/zinc/17/75/98/343177598.db2.gz JQGUQLQRSSODPY-LLVKDONJSA-N 1 0 163.264 2.713 50 0 AFAARO C[C@H]1C[NH2+]Cc2c(Cl)cccc21 39255909 343208632 /nfs/dbraw/zinc/20/86/32/343208632.db2.gz KMFQOPFKQGEQNM-ZETCQYMHSA-N 1 0 181.666 2.547 50 0 AFAARO C[C@H]1CCC[C@@H](c2ccccc2)[NH2+]1 39289576 343210001 /nfs/dbraw/zinc/21/00/01/343210001.db2.gz JYJBTYOECUQNLE-JQWIXIFHSA-N 1 0 175.275 2.890 50 0 AFAARO Cc1ccc([C@@H]([NH3+])C2CCCC2)o1 43609699 343256591 /nfs/dbraw/zinc/25/65/91/343256591.db2.gz JENIPKUBWPSVHM-NSHDSACASA-N 1 0 179.263 2.778 50 0 AFAARO C[C@H]1CCCc2ccccc2[C@@H]1[NH3+] 43649753 343258105 /nfs/dbraw/zinc/25/81/05/343258105.db2.gz OJUDKQMJOKWXNL-JOYOIKCWSA-N 1 0 175.275 2.659 50 0 in-vitro AFAARO Cc1cc(C[NH2+]CC(C)C)ccc1F 49943395 343277327 /nfs/dbraw/zinc/27/73/27/343277327.db2.gz AUHBVKQUDTWGAR-UHFFFAOYSA-N 1 0 195.281 2.880 50 0 AFAARO CC[C@H](C)[NH2+]CCc1cccc(C)c1 51668576 343291358 /nfs/dbraw/zinc/29/13/58/343291358.db2.gz WBKNWDYIHAYQCQ-LBPRGKRZSA-N 1 0 191.318 2.926 50 0 AFAARO C[C@]1(c2ccc(Cl)cc2)CC[NH2+]C1 51955030 343297306 /nfs/dbraw/zinc/29/73/06/343297306.db2.gz IVXXPGPWYARBMZ-NSHDSACASA-N 1 0 195.693 2.591 50 0 AFAARO CC1(C)[NH2+]CC[C@H]1c1ccccc1F 51954958 343297309 /nfs/dbraw/zinc/29/73/09/343297309.db2.gz JVWGFMCRLNEOTQ-JTQLQIEISA-N 1 0 193.265 2.681 50 0 AFAARO Cc1nc([C@@H]2CCCC[NH2+]2)sc1C 52125994 343300420 /nfs/dbraw/zinc/30/04/20/343300420.db2.gz UWAHVFOYFULUJX-VIFPVBQESA-N 1 0 196.319 2.575 50 0 AFAARO CC(C)[C@@H]1[NH2+]CCc2ccc(F)cc21 52095572 343300423 /nfs/dbraw/zinc/30/04/23/343300423.db2.gz BZVYNPMWSGMUCJ-LBPRGKRZSA-N 1 0 193.265 2.669 50 0 in-vitro AFAARO CC1(C)C[NH2+]Cc2cc(Cl)ccc21 57489813 343337614 /nfs/dbraw/zinc/33/76/14/343337614.db2.gz OWWBFYGJOPKZHC-UHFFFAOYSA-N 1 0 195.693 2.721 50 0 AFAARO CC(C)c1ccc2c(c1)C[NH2+]CCC2 57936782 343338154 /nfs/dbraw/zinc/33/81/54/343338154.db2.gz BXWAGDWSYPJJGS-UHFFFAOYSA-N 1 0 189.302 2.846 50 0 AFAARO C[C@H]1C[C@@H](C)[N@H+](C)C(C)(C)C1 59950420 343349372 /nfs/dbraw/zinc/34/93/72/343349372.db2.gz YKINCRKHRQMSIT-DTWKUNHWSA-N 1 0 155.285 2.515 50 0 AFAARO Cc1cc(C)cc([C@@H]2CCC[C@H]2[NH3+])c1 60713941 343354306 /nfs/dbraw/zinc/35/43/06/343354306.db2.gz YNFKTEBHFWDXAF-QWHCGFSZSA-N 1 0 189.302 2.898 50 0 AFAARO C[C@H](c1ccccc1)C1CC[NH2+]CC1 62951108 343388138 /nfs/dbraw/zinc/38/81/38/343388138.db2.gz PRBPNRNFONDOOD-LLVKDONJSA-N 1 0 189.302 2.790 50 0 AFAARO CC(C)CC[C@H]1CC[C@@H]([NH3+])C1 70741160 343528053 /nfs/dbraw/zinc/52/80/53/343528053.db2.gz NUIXRVVHCBLESE-VHSXEESVSA-N 1 0 155.285 2.550 50 0 AFAARO C[C@H]1CC[C@H](c2ccccc2)[NH2+]C1 70710133 343526448 /nfs/dbraw/zinc/52/64/48/343526448.db2.gz IWCFBBFSWZZNCW-CMPLNLGQSA-N 1 0 175.275 2.747 50 0 in-vitro AFAARO C[C@H](Cc1ccccc1)[NH+]1CCCC1 96026794 343692414 /nfs/dbraw/zinc/69/24/14/343692414.db2.gz AWNZMWZMSDWFCV-GFCCVEGCSA-N 1 0 189.302 2.713 50 0 AFAARO C[C@H]([NH2+]C1CC1)c1cccnc1Cl 95967078 343692464 /nfs/dbraw/zinc/69/24/64/343692464.db2.gz JAKSRWFRRMQBPB-ZETCQYMHSA-N 1 0 196.681 2.548 50 0 AFAARO C[C@@H]1CCc2ccccc2[C@H]1[NH+](C)C 96027063 343692977 /nfs/dbraw/zinc/69/29/77/343692977.db2.gz AFYUWGRTECDOMU-MFKMUULPSA-N 1 0 189.302 2.872 50 0 AFAARO CC1=C[C@H](C)[C@@H](C[NH+](C)C)[C@@H](C)C1 100985045 343721603 /nfs/dbraw/zinc/72/16/03/343721603.db2.gz WNWZCRBTVSIPOX-SDDRHHMPSA-N 1 0 181.323 2.786 50 0 AFAARO C[C@@H]1C[C@H]([NH3+])C[C@H](c2ccccc2)C1 101654473 343724975 /nfs/dbraw/zinc/72/49/75/343724975.db2.gz BPGLCNOUOZBXFX-UHTWSYAYSA-N 1 0 189.302 2.918 50 0 in-vitro AFAARO COc1cc(Cl)cc(C(C)(C)[NH3+])c1 106877601 343739552 /nfs/dbraw/zinc/73/95/52/343739552.db2.gz YQHZIKUPRUNWAK-UHFFFAOYSA-N 1 0 199.681 2.542 50 0 AFAARO CC[C@@]1(Cc2ccccc2)CC[NH2+]C1 116394234 343769687 /nfs/dbraw/zinc/76/96/87/343769687.db2.gz PZMGZOYZNYSDJE-ZDUSSCGKSA-N 1 0 189.302 2.619 50 0 AFAARO FC1(F)CCC([C@H]2CCC[NH2+]2)CC1 127060029 343803719 /nfs/dbraw/zinc/80/37/19/343803719.db2.gz VELMLPYAVVUZJH-SECBINFHSA-N 1 0 189.249 2.564 50 0 AFAARO C(=C/c1ccco1)\C[NH+]1CCCCC1 23281119 166043939 /nfs/dbraw/zinc/04/39/39/166043939.db2.gz CUJXNEBTZJOCHQ-GQCTYLIASA-N 1 0 191.274 2.779 50 0 AFAARO C(=C/[C@@H]1CCC[NH2+]1)\c1cccs1 95829354 166044321 /nfs/dbraw/zinc/04/43/21/166044321.db2.gz ANGSYDVPBRYIMH-CYNONHLPSA-N 1 0 179.288 2.513 50 0 in-vitro AFAARO C(=C/[C@H]1CCC[NH2+]1)\c1cccs1 95829356 166044479 /nfs/dbraw/zinc/04/44/79/166044479.db2.gz ANGSYDVPBRYIMH-VUHVRTRXSA-N 1 0 179.288 2.513 50 0 in-vitro AFAARO C/C(Cl)=C/C[NH2+]C/C=C(/C)Cl 2508705 166056207 /nfs/dbraw/zinc/05/62/07/166056207.db2.gz TTYRCXIDJLTWSI-VHOZIDCHSA-N 1 0 194.105 2.861 50 0 in-vitro AFAARO C/C(Cl)=C\C[NH2+]Cc1ccco1 4871551 166058019 /nfs/dbraw/zinc/05/80/19/166058019.db2.gz URWVDYIOTSCKDJ-XBXARRHUSA-N 1 0 185.654 2.512 50 0 AFAARO C/C(Cl)=C\C[NH2+]Cc1ccccc1 2571623 166058246 /nfs/dbraw/zinc/05/82/46/166058246.db2.gz XYAWCYCYPGFLCA-JXMROGBWSA-N 1 0 195.693 2.919 50 0 AFAARO C1=C(c2ccc3ccccc3c2)C[NH2+]C1 90755470 166071403 /nfs/dbraw/zinc/07/14/03/166071403.db2.gz NBMKPMWMHZDKQM-UHFFFAOYSA-N 1 0 195.265 2.826 50 0 AFAARO C1=C([NH+]2CCCCC2)CCCC1 2033107 166071758 /nfs/dbraw/zinc/07/17/58/166071758.db2.gz KPVMGWQGPJULFL-UHFFFAOYSA-N 1 0 165.280 2.930 50 0 AFAARO C1=C([NH+]2CCCC2)CCCCC1 100060808 166071881 /nfs/dbraw/zinc/07/18/81/166071881.db2.gz UETVMGUBKRBHAV-UHFFFAOYSA-N 1 0 165.280 2.930 50 0 AFAARO C1=C(c2c[nH]c3ccccc23)CC[NH2+]C1 154399 166072145 /nfs/dbraw/zinc/07/21/45/166072145.db2.gz CIRSPTXGPFAXRE-UHFFFAOYSA-N 1 0 198.269 2.545 50 0 biogenic,in-vivo AFAARO C1=C(c2cccc3ccccc23)C[NH2+]C1 34865826 166072767 /nfs/dbraw/zinc/07/27/67/166072767.db2.gz DWMUBMVZQXPGNN-UHFFFAOYSA-N 1 0 195.265 2.826 50 0 in-vitro AFAARO C1=C(CC[NH2+]CC2CC2)CCCC1 2132396 166072778 /nfs/dbraw/zinc/07/27/78/166072778.db2.gz DHRJFLBQNLJEIM-UHFFFAOYSA-N 1 0 179.307 2.877 50 0 in-vitro AFAARO C1=C([NH+]2CCCC2)CCCC1 1652290 166073082 /nfs/dbraw/zinc/07/30/82/166073082.db2.gz KTZNVZJECQAMBV-UHFFFAOYSA-N 1 0 151.253 2.540 50 0 in-vitro AFAARO C1=CCC2(C1)C[NH2+][C@@H]2c1ccccc1 328579357 166074296 /nfs/dbraw/zinc/07/42/96/166074296.db2.gz CJYDNQIUMXIPAV-GFCCVEGCSA-N 1 0 185.270 2.667 50 0 AFAARO C1=CCC2(C1)C[NH2+][C@H]2c1ccccc1 328579358 166074696 /nfs/dbraw/zinc/07/46/96/166074696.db2.gz CJYDNQIUMXIPAV-LBPRGKRZSA-N 1 0 185.270 2.667 50 0 AFAARO C1=[NH+]CCCC12CCCCC2 19832260 166081831 /nfs/dbraw/zinc/08/18/31/166081831.db2.gz FPJLJNVIQKKKCL-UHFFFAOYSA-N 1 0 151.253 2.802 50 0 AFAARO C1CCC(CC2CC[NH2+]CC2)CC1 1702063 166086732 /nfs/dbraw/zinc/08/67/32/166086732.db2.gz ZDYLEXHUSVXJPP-UHFFFAOYSA-N 1 0 181.323 2.956 50 0 AFAARO C1CCC(CC[C@@H]2CCC[NH2+]2)C1 3732281 166086862 /nfs/dbraw/zinc/08/68/62/166086862.db2.gz BJACRYSSJIXZFR-NSHDSACASA-N 1 0 167.296 2.709 50 0 in-vitro AFAARO C1CCC(C[C@H]2CC[NH2+]C2)CC1 42784182 166087224 /nfs/dbraw/zinc/08/72/24/166087224.db2.gz DFAPGTCUGVCLLS-LLVKDONJSA-N 1 0 167.296 2.566 50 0 AFAARO C1CCC(SC2CC[NH2+]CC2)CC1 43501287 166087239 /nfs/dbraw/zinc/08/72/39/166087239.db2.gz MCHBRCZMVBCLLU-UHFFFAOYSA-N 1 0 199.363 2.804 50 0 AFAARO C1CCC(CC[C@H]2CC[NH2+]C2)CC1 42784190 166087257 /nfs/dbraw/zinc/08/72/57/166087257.db2.gz DPAQXQNDWXXIJB-LBPRGKRZSA-N 1 0 181.323 2.956 50 0 in-vitro AFAARO C1CCC(C[C@H]2CCC[NH2+]2)CC1 3732277 166087916 /nfs/dbraw/zinc/08/79/16/166087916.db2.gz HTQOKLUJNQCMHG-LLVKDONJSA-N 1 0 167.296 2.709 50 0 in-vitro AFAARO C1CCC(C[C@@H]2CC[NH2+]C2)CC1 42784181 166088067 /nfs/dbraw/zinc/08/80/67/166088067.db2.gz DFAPGTCUGVCLLS-NSHDSACASA-N 1 0 167.296 2.566 50 0 AFAARO C1CCC(C2CC[NH2+]CC2)CC1 2559475 166088198 /nfs/dbraw/zinc/08/81/98/166088198.db2.gz HQSCLNJCVFZWCW-UHFFFAOYSA-N 1 0 167.296 2.566 50 0 AFAARO C1CCC(C[C@@H]2CCC[NH2+]2)CC1 3732278 166088217 /nfs/dbraw/zinc/08/82/17/166088217.db2.gz HTQOKLUJNQCMHG-NSHDSACASA-N 1 0 167.296 2.709 50 0 in-vitro AFAARO C1CCC(CC[C@H]2CCC[NH2+]2)C1 3732280 166088240 /nfs/dbraw/zinc/08/82/40/166088240.db2.gz BJACRYSSJIXZFR-LLVKDONJSA-N 1 0 167.296 2.709 50 0 in-vitro AFAARO C1CCC([NH+]2CCCCC2)CC1 1609583 166088482 /nfs/dbraw/zinc/08/84/82/166088482.db2.gz DSSKLTAHHALFRW-UHFFFAOYSA-N 1 0 167.296 2.805 50 0 in-vitro AFAARO C1CCC([NH2+]C2CCCC2)CC1 1576863 166088583 /nfs/dbraw/zinc/08/85/83/166088583.db2.gz HTPYKHDZMIJYOU-UHFFFAOYSA-N 1 0 167.296 2.851 50 0 AFAARO C1CCC(CC[C@@H]2CC[NH2+]C2)CC1 42784189 166088673 /nfs/dbraw/zinc/08/86/73/166088673.db2.gz DPAQXQNDWXXIJB-GFCCVEGCSA-N 1 0 181.323 2.956 50 0 in-vitro AFAARO C1CCC2(CC1)CCC[NH2+]CC2 82402303 166088793 /nfs/dbraw/zinc/08/87/93/166088793.db2.gz ZWAATVZJDIHKSZ-UHFFFAOYSA-N 1 0 167.296 2.710 50 0 in-vitro AFAARO C1CCCC2(CC1)CC[NH2+]CC2 1698138 166088895 /nfs/dbraw/zinc/08/88/95/166088895.db2.gz MFHUQHWMLMXUAH-UHFFFAOYSA-N 1 0 167.296 2.710 50 0 AFAARO C1CCC2(CC1)CCCC[NH2+]C2 84234443 166089013 /nfs/dbraw/zinc/08/90/13/166089013.db2.gz YYVOWGPIVKSZCV-UHFFFAOYSA-N 1 0 167.296 2.710 50 0 in-vitro AFAARO C1CCCC2(CC1)CCCC[NH2+]2 66339399 166089277 /nfs/dbraw/zinc/08/92/77/166089277.db2.gz WDGPVXUHRNPEOO-UHFFFAOYSA-N 1 0 167.296 2.853 50 0 AFAARO C1CCCC2(CC1)CCC[NH2+]C2 70063905 166089379 /nfs/dbraw/zinc/08/93/79/166089379.db2.gz DHVGQBXWFXZJGH-UHFFFAOYSA-N 1 0 167.296 2.710 50 0 in-vitro AFAARO C1CCC([C@@H]2CCCC[NH2+]2)CC1 2526855 166089610 /nfs/dbraw/zinc/08/96/10/166089610.db2.gz DNXQKSGKSCAEIY-NSHDSACASA-N 1 0 167.296 2.709 50 0 in-vitro AFAARO C1CCCC([C@H]2CCC[NH2+]C2)CC1 98213722 166089612 /nfs/dbraw/zinc/08/96/12/166089612.db2.gz BADBECODTIZGJS-LBPRGKRZSA-N 1 0 181.323 2.956 50 0 AFAARO C1CCC([C@H]2CCCC[NH2+]2)CC1 2545040 166089664 /nfs/dbraw/zinc/08/96/64/166089664.db2.gz DNXQKSGKSCAEIY-LLVKDONJSA-N 1 0 167.296 2.709 50 0 in-vitro AFAARO C1CCC([C@H]2CCC[NH2+]C2)CC1 15020882 166089676 /nfs/dbraw/zinc/08/96/76/166089676.db2.gz LEQKPQQOCKLKHK-NSHDSACASA-N 1 0 167.296 2.566 50 0 in-vitro AFAARO C1CCCC([C@@H]2CCC[NH2+]C2)CC1 98213721 166090108 /nfs/dbraw/zinc/09/01/08/166090108.db2.gz BADBECODTIZGJS-GFCCVEGCSA-N 1 0 181.323 2.956 50 0 AFAARO C1CCC([C@@H]2CCC[NH2+]C2)CC1 2526860 166090163 /nfs/dbraw/zinc/09/01/63/166090163.db2.gz LEQKPQQOCKLKHK-LLVKDONJSA-N 1 0 167.296 2.566 50 0 in-vitro AFAARO C1CC[NH+]=C(NC2CCCCC2)CC1 3866653 166092053 /nfs/dbraw/zinc/09/20/53/166092053.db2.gz KEFFYBUWIADPQB-UHFFFAOYSA-N 1 0 194.322 2.881 50 0 AFAARO C1CCNC(C2CCCCC2)=[NH+]CC1 41104933 166092080 /nfs/dbraw/zinc/09/20/80/166092080.db2.gz WIENZDMZQWBKQU-UHFFFAOYSA-N 1 0 194.322 2.739 50 0 AFAARO C1CC[NH2+][C@H](C2CCCC2)CC1 3734931 166092293 /nfs/dbraw/zinc/09/22/93/166092293.db2.gz RXJMMNCJZHYPRD-NSHDSACASA-N 1 0 167.296 2.709 50 0 in-vitro AFAARO C1CC[NH2+][C@@H](C2CCCC2)CC1 3734932 166092699 /nfs/dbraw/zinc/09/26/99/166092699.db2.gz RXJMMNCJZHYPRD-LLVKDONJSA-N 1 0 167.296 2.709 50 0 in-vitro AFAARO C1CC[C@@H]2CC3(CCCC3)[NH2+][C@H]2C1 40449210 166094187 /nfs/dbraw/zinc/09/41/87/166094187.db2.gz RDCPNVOJZPNZCF-MNOVXSKESA-N 1 0 179.307 2.851 50 0 AFAARO C1CC[C@@H]2[NH2+]C3(CCCC3)C[C@@H]2C1 40449206 166094257 /nfs/dbraw/zinc/09/42/57/166094257.db2.gz RDCPNVOJZPNZCF-QWRGUYRKSA-N 1 0 179.307 2.851 50 0 AFAARO C1CC[C@H]2[NH2+]C3(CCCC3)C[C@H]2C1 40449208 166094590 /nfs/dbraw/zinc/09/45/90/166094590.db2.gz RDCPNVOJZPNZCF-GHMZBOCLSA-N 1 0 179.307 2.851 50 0 AFAARO C1CC[C@H]2[NH2+]C3(CCCC3)C[C@@H]2C1 40449205 166094995 /nfs/dbraw/zinc/09/49/95/166094995.db2.gz RDCPNVOJZPNZCF-WDEREUQCSA-N 1 0 179.307 2.851 50 0 AFAARO CC(=[NH2+])SCc1ccccc1 100015540 166229883 /nfs/dbraw/zinc/22/98/83/166229883.db2.gz UUHJZMMXPPGITC-UHFFFAOYSA-N 1 0 165.261 2.917 50 0 in-vitro AFAARO CC(C)(C)C1CCC(C[NH3+])CC1 37245889 166347679 /nfs/dbraw/zinc/34/76/79/166347679.db2.gz KLWXMRDMJMWUER-UHFFFAOYSA-N 1 0 169.312 2.798 50 0 AFAARO CC(C)(C)C1CCC(C(N)=[NH2+])CC1 78210709 166349178 /nfs/dbraw/zinc/34/91/78/166349178.db2.gz AEMXQJFRFAAWJM-UHFFFAOYSA-N 1 0 182.311 2.775 50 0 in-vitro AFAARO CC(C)(C)C1CCC([NH3+])CC1 1604050 166349731 /nfs/dbraw/zinc/34/97/31/166349731.db2.gz BGNLXETYTAAURD-UHFFFAOYSA-N 1 0 155.285 2.550 50 0 in-vitro AFAARO CC(C)(C)C[NH2+]C1CCCCC1 19737916 166353153 /nfs/dbraw/zinc/35/31/53/166353153.db2.gz JGWIKJLIVDTWHV-UHFFFAOYSA-N 1 0 169.312 2.955 50 0 AFAARO CC(C)(C)C[NH2+]CCc1cccs1 41051122 166353510 /nfs/dbraw/zinc/35/35/10/166353510.db2.gz LFSOBRDBWCWZHG-UHFFFAOYSA-N 1 0 197.347 2.926 50 0 AFAARO CC(C)(C)C[NH2+]CC(C)(C)C 5283961 166354070 /nfs/dbraw/zinc/35/40/70/166354070.db2.gz VUXINUDYAQGLKJ-UHFFFAOYSA-N 1 0 157.301 2.668 50 0 in-vitro AFAARO CC(C)(C)C[NH2+]Cc1ccc(F)cc1 40492273 166354346 /nfs/dbraw/zinc/35/43/46/166354346.db2.gz GQORPIXWVKUTBP-UHFFFAOYSA-N 1 0 195.281 2.961 50 0 AFAARO CC(C)(C)C[NH2+]Cc1ccccc1 37927707 166354979 /nfs/dbraw/zinc/35/49/79/166354979.db2.gz WWEAQWSEERPMNP-UHFFFAOYSA-N 1 0 177.291 2.822 50 0 in-vitro AFAARO CC(C)(C)C[NH2+]Cc1ccccc1F 40492638 166355065 /nfs/dbraw/zinc/35/50/65/166355065.db2.gz QGPGZBVAIZSVSM-UHFFFAOYSA-N 1 0 195.281 2.961 50 0 AFAARO CC(C)(C)CNc1cc[nH+]cc1 40494198 166355166 /nfs/dbraw/zinc/35/51/66/166355166.db2.gz ATBPRHUDVVIAPT-UHFFFAOYSA-N 1 0 164.252 2.540 50 0 AFAARO CC(C)(C)C[C@@H]1CC[NH2+]C1(C)C 61840740 166356321 /nfs/dbraw/zinc/35/63/21/166356321.db2.gz WTIFCFRONUHSOF-VIFPVBQESA-N 1 0 169.312 2.811 50 0 AFAARO CC(C)(C)C[C@@H]([NH3+])c1cccnc1 19091698 166356537 /nfs/dbraw/zinc/35/65/37/166356537.db2.gz VLKDKWYBQJERMT-SNVBAGLBSA-N 1 0 178.279 2.518 50 0 in-vitro AFAARO CC(C)(C)C[C@H]([NH3+])c1cccnc1 19091701 166356834 /nfs/dbraw/zinc/35/68/34/166356834.db2.gz VLKDKWYBQJERMT-JTQLQIEISA-N 1 0 178.279 2.518 50 0 in-vitro AFAARO CC(C)(C)C[C@@H]1CCCC[NH2+]1 3734602 166356946 /nfs/dbraw/zinc/35/69/46/166356946.db2.gz WWVIHSGXAWYJLS-VIFPVBQESA-N 1 0 155.285 2.565 50 0 in-vitro AFAARO CC(C)(C)C[C@H]1CCCC[NH2+]1 3734601 166357595 /nfs/dbraw/zinc/35/75/95/166357595.db2.gz WWVIHSGXAWYJLS-SECBINFHSA-N 1 0 155.285 2.565 50 0 in-vitro AFAARO CC(C)(C)C[C@H]1CC[NH2+]C1(C)C 61840741 166358079 /nfs/dbraw/zinc/35/80/79/166358079.db2.gz WTIFCFRONUHSOF-SECBINFHSA-N 1 0 169.312 2.811 50 0 AFAARO CC(C)(C)[NH2+]CC1CCCCC1 13717591 166363732 /nfs/dbraw/zinc/36/37/32/166363732.db2.gz SQNQWCLRQYIHJI-UHFFFAOYSA-N 1 0 169.312 2.955 50 0 AFAARO CC(C)(C)[NH2+]C1CCCCC1 2545398 166364007 /nfs/dbraw/zinc/36/40/07/166364007.db2.gz MTEWAFVECQBILW-UHFFFAOYSA-N 1 0 155.285 2.707 50 0 in-vitro AFAARO CC(C)(C)[NH2+]Cc1cccc(F)c1 21958440 166365343 /nfs/dbraw/zinc/36/53/43/166365343.db2.gz XCGBDYPASWCFLR-UHFFFAOYSA-N 1 0 181.254 2.714 50 0 in-vitro AFAARO CC(C)(C)[NH2+]Cc1cccs1 5817176 166365668 /nfs/dbraw/zinc/36/56/68/166365668.db2.gz HTSDGWXKPHSWMA-UHFFFAOYSA-N 1 0 169.293 2.636 50 0 in-vitro AFAARO CC(C)(C)[NH2+]Cc1ccccc1 2534748 166366002 /nfs/dbraw/zinc/36/60/02/166366002.db2.gz DLSOILHAKCBARI-UHFFFAOYSA-N 1 0 163.264 2.575 50 0 in-vitro AFAARO CC(C)(C)[NH2+]Cc1ccsc1 6882610 166366066 /nfs/dbraw/zinc/36/60/66/166366066.db2.gz SFHMYZDKLSNZDG-UHFFFAOYSA-N 1 0 169.293 2.636 50 0 AFAARO CC(C)(C)[NH2+]Cc1ccccc1F 6882596 166366215 /nfs/dbraw/zinc/36/62/15/166366215.db2.gz ZMQGKSWOGQOQCA-UHFFFAOYSA-N 1 0 181.254 2.714 50 0 in-vitro AFAARO CC(C)(C)[NH2+]CCc1ccccc1 10436533 166366565 /nfs/dbraw/zinc/36/65/65/166366565.db2.gz IXVHHIJPEWQWLQ-UHFFFAOYSA-N 1 0 177.291 2.617 50 0 AFAARO CC(C)(C)[NH2+]Cc1cc(F)ccc1F 37228216 166366670 /nfs/dbraw/zinc/36/66/70/166366670.db2.gz RZUBAPPBGCLUTP-UHFFFAOYSA-N 1 0 199.244 2.853 50 0 AFAARO CC(C)(C)[NH2+]Cc1ccc(F)c(F)c1 22141461 166366850 /nfs/dbraw/zinc/36/68/50/166366850.db2.gz LXUGHJKZEGPTLY-UHFFFAOYSA-N 1 0 199.244 2.853 50 0 AFAARO CC(C)(C)[NH2+]Cc1cccc(F)c1F 35222797 166366913 /nfs/dbraw/zinc/36/69/13/166366913.db2.gz WYLHEDMCEYYMOY-UHFFFAOYSA-N 1 0 199.244 2.853 50 0 AFAARO CC(C)(C)[NH2+]Cc1ccc(F)cc1 4644755 166366979 /nfs/dbraw/zinc/36/69/79/166366979.db2.gz LPILEJRPIAXWIE-UHFFFAOYSA-N 1 0 181.254 2.714 50 0 in-vitro AFAARO CC(C)(C)[C@@H]1CCC[C@@H]([NH3+])CC1 82025294 166375784 /nfs/dbraw/zinc/37/57/84/166375784.db2.gz JJRUOAOJNGXQNV-NXEZZACHSA-N 1 0 169.312 2.940 50 0 in-vitro AFAARO CC(C)(C)[C@@H]1CCC[C@H]([NH3+])CC1 82025292 166376280 /nfs/dbraw/zinc/37/62/80/166376280.db2.gz JJRUOAOJNGXQNV-ZJUUUORDSA-N 1 0 169.312 2.940 50 0 in-vitro AFAARO CC(C)(C)[C@@H]1[NH2+]CCc2ccccc21 11597124 166376401 /nfs/dbraw/zinc/37/64/01/166376401.db2.gz KJJVKIWQGWVWPC-GFCCVEGCSA-N 1 0 189.302 2.920 50 0 AFAARO CC(C)(C)[C@@H]1CCCC[C@H]1C[NH3+] 37245875 166376528 /nfs/dbraw/zinc/37/65/28/166376528.db2.gz BCJUIYLDLKQNTA-VHSXEESVSA-N 1 0 169.312 2.798 50 0 in-vitro AFAARO CC(C)(C)[C@@H]1CCCC[C@@H]1C[NH3+] 37245870 166376683 /nfs/dbraw/zinc/37/66/83/166376683.db2.gz BCJUIYLDLKQNTA-NXEZZACHSA-N 1 0 169.312 2.798 50 0 in-vitro AFAARO CC(C)(C)[C@H]1CC[C@@H]([NH3+])CC1 100074681 166376707 /nfs/dbraw/zinc/37/67/07/166376707.db2.gz BGNLXETYTAAURD-KYZUINATSA-N 1 0 155.285 2.550 50 0 AFAARO CC(C)(C)[C@H]1CC[C@H]([NH3+])CC1 101925990 166377292 /nfs/dbraw/zinc/37/72/92/166377292.db2.gz BGNLXETYTAAURD-DTORHVGOSA-N 1 0 155.285 2.550 50 0 AFAARO CC(C)(C)[C@@H]1CCCC[C@H]1[NH3+] 5574903 166377339 /nfs/dbraw/zinc/37/73/39/166377339.db2.gz GEYTUFUSXAMSQK-RKDXNWHRSA-N 1 0 155.285 2.550 50 0 in-vitro AFAARO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH3+] 5574895 166377457 /nfs/dbraw/zinc/37/74/57/166377457.db2.gz GEYTUFUSXAMSQK-BDAKNGLRSA-N 1 0 155.285 2.550 50 0 in-vitro AFAARO CC(C)(C)[C@@H]1CCCCC[NH2+]1 3734855 166377519 /nfs/dbraw/zinc/37/75/19/166377519.db2.gz VGMDCKSILGQMBR-VIFPVBQESA-N 1 0 155.285 2.565 50 0 in-vitro AFAARO CC(C)(C)[C@H]([NH3+])Cc1ccccc1 5284123 166378184 /nfs/dbraw/zinc/37/81/84/166378184.db2.gz OTRQGAZWLJRILG-LLVKDONJSA-N 1 0 177.291 2.603 50 0 in-vitro AFAARO CC(C)(C)[C@H]([NH3+])c1ccc(F)cc1 19414890 166378256 /nfs/dbraw/zinc/37/82/56/166378256.db2.gz ZUCBPXHMAQFYAI-SNVBAGLBSA-N 1 0 181.254 2.872 50 0 AFAARO CC(C)(C)[C@H]([NH3+])c1cccc(F)c1 37467044 166378403 /nfs/dbraw/zinc/37/84/03/166378403.db2.gz ONHZOAAJDYSRRQ-SNVBAGLBSA-N 1 0 181.254 2.872 50 0 AFAARO CC(C)(C)[C@H]([NH3+])c1cccs1 19841936 166378984 /nfs/dbraw/zinc/37/89/84/166378984.db2.gz VIDGALYHKGLIBL-MRVPVSSYSA-N 1 0 169.293 2.794 50 0 AFAARO CC(C)(C)[C@H]([NH3+])c1ccccc1 5284141 166379820 /nfs/dbraw/zinc/37/98/20/166379820.db2.gz INGIGRKEXZOVTB-SNVBAGLBSA-N 1 0 163.264 2.733 50 0 in-vitro AFAARO CC(C)(C)[C@H]1CCCC[C@@H]1C[NH3+] 37245872 166380277 /nfs/dbraw/zinc/38/02/77/166380277.db2.gz BCJUIYLDLKQNTA-ZJUUUORDSA-N 1 0 169.312 2.798 50 0 in-vitro AFAARO CC(C)(C)[C@H]1CCCC[C@H]1C[NH3+] 37245877 166380369 /nfs/dbraw/zinc/38/03/69/166380369.db2.gz BCJUIYLDLKQNTA-UWVGGRQHSA-N 1 0 169.312 2.798 50 0 in-vitro AFAARO CC(C)(C)[C@H]1CCC[C@H]([NH3+])CC1 82025293 166380664 /nfs/dbraw/zinc/38/06/64/166380664.db2.gz JJRUOAOJNGXQNV-UWVGGRQHSA-N 1 0 169.312 2.940 50 0 in-vitro AFAARO CC(C)(C)[C@H]1CCCCC[NH2+]1 3734854 166380905 /nfs/dbraw/zinc/38/09/05/166380905.db2.gz VGMDCKSILGQMBR-SECBINFHSA-N 1 0 155.285 2.565 50 0 in-vitro AFAARO CC(C)(C)[C@H]1CCC[C@@H]([NH3+])CC1 82025295 166380923 /nfs/dbraw/zinc/38/09/23/166380923.db2.gz JJRUOAOJNGXQNV-VHSXEESVSA-N 1 0 169.312 2.940 50 0 in-vitro AFAARO CC(C)(C)[C@H]1CCCC[C@H]1[NH3+] 5559858 166381493 /nfs/dbraw/zinc/38/14/93/166381493.db2.gz GEYTUFUSXAMSQK-DTWKUNHWSA-N 1 0 155.285 2.550 50 0 in-vitro AFAARO CC(C)(C)[C@H]1CCCC[C@@H]1[NH3+] 5559855 166381691 /nfs/dbraw/zinc/38/16/91/166381691.db2.gz GEYTUFUSXAMSQK-IUCAKERBSA-N 1 0 155.285 2.550 50 0 in-vitro AFAARO CC(C)(C)[C@H]1[NH2+]CCc2ccccc21 11597127 166381887 /nfs/dbraw/zinc/38/18/87/166381887.db2.gz KJJVKIWQGWVWPC-LBPRGKRZSA-N 1 0 189.302 2.920 50 0 AFAARO CC(C)(C)c1ccc(C[NH3+])s1 33785159 166382840 /nfs/dbraw/zinc/38/28/40/166382840.db2.gz OBJOTJYMKFRMOG-UHFFFAOYSA-N 1 0 169.293 2.504 50 0 AFAARO CC(C)(C)c1ccc(CCC[NH3+])cc1 8382912 166382930 /nfs/dbraw/zinc/38/29/30/166382930.db2.gz OHGDOTWHVKSMQH-UHFFFAOYSA-N 1 0 191.318 2.875 50 0 in-vitro AFAARO CC(C)(C)c1ccc(C2([NH3+])CC2)cc1 33487137 166384122 /nfs/dbraw/zinc/38/41/22/166384122.db2.gz FGMYLUCDARKECM-UHFFFAOYSA-N 1 0 189.302 2.932 50 0 in-vitro AFAARO CC(C)(C)c1ccc2c(c1)CC[NH2+]C2 12481637 166385272 /nfs/dbraw/zinc/38/52/72/166385272.db2.gz VORVPPDFYWENEL-UHFFFAOYSA-N 1 0 189.302 2.630 50 0 in-vitro AFAARO CC(C)(C)c1ccc2c(c1)CC[C@@H]2[NH3+] 35569391 166385418 /nfs/dbraw/zinc/38/54/18/166385418.db2.gz JYRVCRJPCWMDQT-LBPRGKRZSA-N 1 0 189.302 2.930 50 0 AFAARO CC(C)(C)c1ccc2c(c1)CC[C@H]2[NH3+] 35569393 166385936 /nfs/dbraw/zinc/38/59/36/166385936.db2.gz JYRVCRJPCWMDQT-GFCCVEGCSA-N 1 0 189.302 2.930 50 0 AFAARO CC(C)(C)c1ccc2c(c1)C[NH2+]CC2 11597012 166386305 /nfs/dbraw/zinc/38/63/05/166386305.db2.gz NVRAXZJJQUKBFF-UHFFFAOYSA-N 1 0 189.302 2.630 50 0 in-vitro AFAARO CC(C)(C)c1[nH+]cc2ccccn12 33724543 166389669 /nfs/dbraw/zinc/38/96/69/166389669.db2.gz ISBIMQCUWWJKJS-UHFFFAOYSA-N 1 0 174.247 2.632 50 0 AFAARO CC(C)(C[NH3+])Cc1cccc(Cl)c1 49804183 166393326 /nfs/dbraw/zinc/39/33/26/166393326.db2.gz FQIHYZXHDVXXCJ-UHFFFAOYSA-N 1 0 197.709 2.867 50 0 AFAARO CC(C)(C[NH3+])CCCc1ccccc1 54634553 166393644 /nfs/dbraw/zinc/39/36/44/166393644.db2.gz JLSMDWDSKCURJT-UHFFFAOYSA-N 1 0 191.318 2.994 50 0 in-vitro AFAARO CC(C)(C[NH3+])c1cccc(Cl)c1 11567867 166395801 /nfs/dbraw/zinc/39/58/01/166395801.db2.gz YOMVZWQZGFLTFA-UHFFFAOYSA-N 1 0 183.682 2.576 50 0 in-vitro AFAARO CC(C)(C[NH3+])c1ccccc1Cl 33487045 166395858 /nfs/dbraw/zinc/39/58/58/166395858.db2.gz ZCXVKJRLVGOMTO-UHFFFAOYSA-N 1 0 183.682 2.576 50 0 in-vitro AFAARO CC(C)(C[NH3+])c1ccc(Cl)cc1 11883695 166396415 /nfs/dbraw/zinc/39/64/15/166396415.db2.gz WDVHFHHNPWOBRS-UHFFFAOYSA-N 1 0 183.682 2.576 50 0 in-vitro AFAARO CC(C)([NH3+])C12CC3CC(CC(C3)C1)C2 19093471 166399062 /nfs/dbraw/zinc/39/90/62/166399062.db2.gz NDDFDYJBIHXQIC-UHFFFAOYSA-N 1 0 193.334 2.940 50 0 AFAARO CC(C)([NH3+])CC1Cc2ccccc2C1 33975338 166399543 /nfs/dbraw/zinc/39/95/43/166399543.db2.gz PYDOOGXGXVMZSG-UHFFFAOYSA-N 1 0 189.302 2.529 50 0 AFAARO CC(C)([NH3+])Cc1ccc(Cl)cc1 122765 166403425 /nfs/dbraw/zinc/40/34/25/166403425.db2.gz ZCKAMNXUHHNZLN-UHFFFAOYSA-N 1 0 183.682 2.620 50 0 in-man AFAARO CC(C)([NH3+])c1cccc(Cl)c1 11884393 166404684 /nfs/dbraw/zinc/40/46/84/166404684.db2.gz RJFOLCUYDLFKFW-UHFFFAOYSA-N 1 0 169.655 2.534 50 0 AFAARO CC(C)([NH3+])c1cc(Cl)ccc1F 82530066 166405379 /nfs/dbraw/zinc/40/53/79/166405379.db2.gz LESCLDPHNXCFBG-UHFFFAOYSA-N 1 0 187.645 2.673 50 0 AFAARO CC(C)CC1(C[NH3+])CCCC1 54635590 166435622 /nfs/dbraw/zinc/43/56/22/166435622.db2.gz CWQQEAOREYIMFN-UHFFFAOYSA-N 1 0 155.285 2.552 50 0 in-vitro AFAARO CC(C)CCC[C@@H](C)CC[NH3+] 34070749 166437688 /nfs/dbraw/zinc/43/76/88/166437688.db2.gz PPKSYRUVTABEIE-SNVBAGLBSA-N 1 0 157.301 2.798 50 0 in-vitro AFAARO CC(C)CC[NH2+]CCC(C)C 1693365 166443743 /nfs/dbraw/zinc/44/37/43/166443743.db2.gz SPVVMXMTSODFPU-UHFFFAOYSA-N 1 0 157.301 2.668 50 0 AFAARO CC(C)CC[NH2+]Cc1cccs1 4661882 166445009 /nfs/dbraw/zinc/44/50/09/166445009.db2.gz YDLXFIXQFGJXSS-UHFFFAOYSA-N 1 0 183.320 2.884 50 0 AFAARO CC(C)CC[C@@H]([NH3+])C(C)(C)C 37479344 166449533 /nfs/dbraw/zinc/44/95/33/166449533.db2.gz LJFPUSMWZPOXSC-SECBINFHSA-N 1 0 157.301 2.796 50 0 in-vitro AFAARO CC(C)CC[C@@H]1CCC[C@H]1[NH3+] 42397765 166450258 /nfs/dbraw/zinc/45/02/58/166450258.db2.gz RXSOQOARVNFVCY-VHSXEESVSA-N 1 0 155.285 2.550 50 0 in-vitro AFAARO CC(C)CC[C@H]1CCC[C@H]1[NH3+] 42397769 166452050 /nfs/dbraw/zinc/45/20/50/166452050.db2.gz RXSOQOARVNFVCY-NXEZZACHSA-N 1 0 155.285 2.550 50 0 in-vitro AFAARO CC(C)C[NH2+]C1CCC(C)CC1 19917811 166469261 /nfs/dbraw/zinc/46/92/61/166469261.db2.gz BESXBPIXZAMEAQ-UHFFFAOYSA-N 1 0 169.312 2.811 50 0 AFAARO CC(C)C[NH2+]C1CCCCC1 5441239 166469636 /nfs/dbraw/zinc/46/96/36/166469636.db2.gz ARHUUPGCYHESJV-UHFFFAOYSA-N 1 0 155.285 2.565 50 0 in-vitro AFAARO CC(C)C[NH2+]C/C=C/c1ccccc1 6883508 166469984 /nfs/dbraw/zinc/46/99/84/166469984.db2.gz PMBUEBBTUPUBQW-RMKNXTFCSA-N 1 0 189.302 2.945 50 0 AFAARO CC(C)C[NH2+]Cc1ccccc1F 6883658 166470899 /nfs/dbraw/zinc/47/08/99/166470899.db2.gz MXIQSNZZFFIORF-UHFFFAOYSA-N 1 0 181.254 2.571 50 0 in-vitro AFAARO CC(C)C[NH2+]Cc1ccc(F)c(F)c1 19882937 166471451 /nfs/dbraw/zinc/47/14/51/166471451.db2.gz GGFSEDSAEWSUIK-UHFFFAOYSA-N 1 0 199.244 2.710 50 0 AFAARO CC(C)C[NH2+]Cc1cc(F)ccc1F 37228233 166472340 /nfs/dbraw/zinc/47/23/40/166472340.db2.gz MTQFOOGKWRZNSM-UHFFFAOYSA-N 1 0 199.244 2.710 50 0 AFAARO CC(C)C[NH2+][C@@H]1CCc2ccccc21 19883088 166473234 /nfs/dbraw/zinc/47/32/34/166473234.db2.gz WHDRDJFAIDMMND-CYBMUJFWSA-N 1 0 189.302 2.920 50 0 AFAARO CC(C)C[NH2+][C@H]1CCCC[C@@H]1C 19945073 166473449 /nfs/dbraw/zinc/47/34/49/166473449.db2.gz UZNFSPGJZQGVEN-QWRGUYRKSA-N 1 0 169.312 2.811 50 0 AFAARO CC(C)C[NH2+][C@@H]1CCCC[C@H]1C 19945076 166474627 /nfs/dbraw/zinc/47/46/27/166474627.db2.gz UZNFSPGJZQGVEN-GHMZBOCLSA-N 1 0 169.312 2.811 50 0 AFAARO CC(C)C[NH2+][C@@H]1CCC[C@H](C)C1 19882956 166475121 /nfs/dbraw/zinc/47/51/21/166475121.db2.gz LHBPUHAIRCOUJI-WDEREUQCSA-N 1 0 169.312 2.811 50 0 AFAARO CC(C)C[C@@H]1CCCC[C@H]1[NH3+] 22129948 166487187 /nfs/dbraw/zinc/48/71/87/166487187.db2.gz BERGTQGYSVHLAW-VHSXEESVSA-N 1 0 155.285 2.550 50 0 AFAARO CC(C)C[C@H]([NH3+])c1ccccc1F 41201750 166495384 /nfs/dbraw/zinc/49/53/84/166495384.db2.gz YNFJNNLKGBJZJH-NSHDSACASA-N 1 0 181.254 2.872 50 0 AFAARO CC(C)C[C@H]([NH3+])c1cccs1 19842102 166495628 /nfs/dbraw/zinc/49/56/28/166495628.db2.gz PGVBRDBJESXVRL-QMMMGPOBSA-N 1 0 169.293 2.794 50 0 AFAARO CC(C)C[C@H]([NH3+])c1ccccc1 3378505 166495649 /nfs/dbraw/zinc/49/56/49/166495649.db2.gz ZTLDKBMTEANJRD-NSHDSACASA-N 1 0 163.264 2.733 50 0 in-vitro AFAARO CC(C)C[C@H]([NH3+])c1ccc(F)cc1 19414369 166495912 /nfs/dbraw/zinc/49/59/12/166495912.db2.gz KQXMFKQKVIPXIM-NSHDSACASA-N 1 0 181.254 2.872 50 0 AFAARO CC(C)[N@@H+]1CC[C@@H](c2ccccc2)C1 4124772 166524467 /nfs/dbraw/zinc/52/44/67/166524467.db2.gz IKRKNBZNWVMXDM-CYBMUJFWSA-N 1 0 189.302 2.884 50 0 AFAARO CC(C)[NH2+]CC1CCCCC1 10436493 166536887 /nfs/dbraw/zinc/53/68/87/166536887.db2.gz OXJLOUANFUGVCS-UHFFFAOYSA-N 1 0 155.285 2.565 50 0 AFAARO CC(C)[NH2+]Cc1ccccc1Cl 10436194 166542350 /nfs/dbraw/zinc/54/23/50/166542350.db2.gz AHXJNCOFVXXIAS-UHFFFAOYSA-N 1 0 183.682 2.838 50 0 in-vitro AFAARO CC(C)[NH2+][C@@H](C)C1CCCCC1 37186254 166545965 /nfs/dbraw/zinc/54/59/65/166545965.db2.gz NPPZYRYJLGDVAJ-JTQLQIEISA-N 1 0 169.312 2.953 50 0 AFAARO CC(C)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C 37021693 166545975 /nfs/dbraw/zinc/54/59/75/166545975.db2.gz DEHOCXVAHNPINL-HBNTYKKESA-N 1 0 169.312 2.809 50 0 AFAARO CC(C)[NH2+][C@@H](C)c1ccsc1 50337385 166546609 /nfs/dbraw/zinc/54/66/09/166546609.db2.gz ALZOQYQLEFEYAB-QMMMGPOBSA-N 1 0 169.293 2.807 50 0 AFAARO CC(C)[NH2+][C@H](C)c1ccc(F)cc1 19880581 166548336 /nfs/dbraw/zinc/54/83/36/166548336.db2.gz AGHIBRJHSPTBHT-SECBINFHSA-N 1 0 181.254 2.885 50 0 AFAARO CC(C)[NH2+][C@H](C)C1CCCCC1 37186255 166549064 /nfs/dbraw/zinc/54/90/64/166549064.db2.gz NPPZYRYJLGDVAJ-SNVBAGLBSA-N 1 0 169.312 2.953 50 0 AFAARO CC(C)[NH2+][C@@H]1[C@@H](C)CCC[C@H]1C 238855837 166549560 /nfs/dbraw/zinc/54/95/60/166549560.db2.gz SXKKFHLFFKXIRF-URLYPYJESA-N 1 0 169.312 2.809 50 0 AFAARO CC(C)[NH2+][C@H]1CCCC[C@H]1C 19880405 166549622 /nfs/dbraw/zinc/54/96/22/166549622.db2.gz UPHMFGWCRAJMPC-ZJUUUORDSA-N 1 0 155.285 2.563 50 0 AFAARO CC(C)Nc1cccc(NC(C)C)[nH+]1 72233280 166550685 /nfs/dbraw/zinc/55/06/85/166550685.db2.gz FRLVJFSSCJQZPQ-UHFFFAOYSA-N 1 0 193.294 2.722 50 0 AFAARO CC(C)Oc1ccc(Cl)cc1C[NH3+] 19092043 166561508 /nfs/dbraw/zinc/56/15/08/166561508.db2.gz QJABTPMLNAWQEK-UHFFFAOYSA-N 1 0 199.681 2.586 50 0 in-vitro AFAARO CC(C)SCC[C@@H]1CCCC[NH2+]1 43499636 166562784 /nfs/dbraw/zinc/56/27/84/166562784.db2.gz PVFMNBGVTZKGMZ-JTQLQIEISA-N 1 0 187.352 2.660 50 0 AFAARO CC(C)[C@@H](C)[NH2+]CCc1cccs1 19949012 166571550 /nfs/dbraw/zinc/57/15/50/166571550.db2.gz JHAZISJORYLINQ-SNVBAGLBSA-N 1 0 197.347 2.925 50 0 AFAARO CC(C)[C@@H]([NH3+])Cc1ccc(Cl)cc1 32009592 166577477 /nfs/dbraw/zinc/57/74/77/166577477.db2.gz AIJIRICRIUMVSU-NSHDSACASA-N 1 0 197.709 2.866 50 0 in-vitro AFAARO CC(C)[C@@]1(CC[NH3+])CCOC(C)(C)C1 5399565 166594359 /nfs/dbraw/zinc/59/43/59/166594359.db2.gz MOPYYUIMYCVIDR-LBPRGKRZSA-N 1 0 199.338 2.567 50 0 AFAARO CC(C)[C@H](C)[NH2+]CCc1ccccc1 2027692 166599259 /nfs/dbraw/zinc/59/92/59/166599259.db2.gz HZFWBUZCMODGSB-LBPRGKRZSA-N 1 0 191.318 2.863 50 0 AFAARO CC(C)[C@H](C)[NH2+]CCc1cccs1 19949016 166602025 /nfs/dbraw/zinc/60/20/25/166602025.db2.gz JHAZISJORYLINQ-JTQLQIEISA-N 1 0 197.347 2.925 50 0 AFAARO CC(C)[C@H](C)[NH2+]Cc1ccccc1 19091299 166603004 /nfs/dbraw/zinc/60/30/04/166603004.db2.gz VSTYIEJFRYCKGB-NSHDSACASA-N 1 0 177.291 2.821 50 0 in-vitro AFAARO CC(C)[C@H](C)[NH2+]Cc1ccc(F)cc1 19943792 166603631 /nfs/dbraw/zinc/60/36/31/166603631.db2.gz SRSPEKHNLFPZBG-JTQLQIEISA-N 1 0 195.281 2.960 50 0 AFAARO CC(C)[C@H]([NH3+])c1ccc(F)cc1F 19968925 166607931 /nfs/dbraw/zinc/60/79/31/166607931.db2.gz LGCSZOFAQLXAQA-JTQLQIEISA-N 1 0 185.217 2.621 50 0 AFAARO CC(C)[C@H]([NH3+])c1ccc(F)c(F)c1 19968385 166607938 /nfs/dbraw/zinc/60/79/38/166607938.db2.gz YDJBORNWZZLRGS-JTQLQIEISA-N 1 0 185.217 2.621 50 0 AFAARO CC(C)[C@H]([NH3+])c1ccc(Cl)cc1 9245965 166608405 /nfs/dbraw/zinc/60/84/05/166608405.db2.gz KAIHEXRERGCTPN-JTQLQIEISA-N 1 0 183.682 2.996 50 0 in-vitro AFAARO CC(C)[C@H]([NH3+])c1ccccc1Cl 38078501 166610079 /nfs/dbraw/zinc/61/00/79/166610079.db2.gz XOALSEFEPRQWJI-JTQLQIEISA-N 1 0 183.682 2.996 50 0 in-vitro AFAARO CC(C)[C@H]([NH3+])Cc1ccc(Cl)cc1 32009594 166610219 /nfs/dbraw/zinc/61/02/19/166610219.db2.gz AIJIRICRIUMVSU-LLVKDONJSA-N 1 0 197.709 2.866 50 0 in-vitro AFAARO CC(C)c1ccc([C@@H](C)[NH3+])cc1 2577188 166631507 /nfs/dbraw/zinc/63/15/07/166631507.db2.gz UHAQMLODFYUKOM-SECBINFHSA-N 1 0 163.264 2.830 50 0 in-vitro AFAARO CC(C)c1ccc([C@@H]2C[C@H]2[NH3+])cc1 32006841 166633093 /nfs/dbraw/zinc/63/30/93/166633093.db2.gz NPJVJYLURDCJGT-NWDGAFQWSA-N 1 0 175.275 2.625 50 0 AFAARO CC([NH3+])(c1ccccc1)c1ccccc1 37379212 166657123 /nfs/dbraw/zinc/65/71/23/166657123.db2.gz XADXWWLTECVAAE-UHFFFAOYSA-N 1 0 197.281 2.909 50 0 in-vitro AFAARO CC1(C)CCC(c2cccs2)[N+]1=O 5705831 166672866 /nfs/dbraw/zinc/67/28/66/166672866.db2.gz HZVJYTVBXLVCJP-UHFFFAOYSA-N 1 0 195.287 2.620 50 0 AFAARO CC1(C)CC[NH2+]C[C@H]1c1ccccc1 82882128 166675402 /nfs/dbraw/zinc/67/54/02/166675402.db2.gz BOCJUWGFFDLICP-LBPRGKRZSA-N 1 0 189.302 2.790 50 0 AFAARO CC1(C)CC[C@H](C[NH3+])c2ccccc21 37246293 166679892 /nfs/dbraw/zinc/67/98/92/166679892.db2.gz LBWVCDBPNUUOKM-SNVBAGLBSA-N 1 0 189.302 2.800 50 0 in-vitro AFAARO CC1(C)[NH2+]CC[C@@H]1Cc1ccccc1 51957218 166693022 /nfs/dbraw/zinc/69/30/22/166693022.db2.gz LRHNJHMOSGWPDW-GFCCVEGCSA-N 1 0 189.302 2.617 50 0 in-vitro AFAARO CC1(C)[NH2+]CC[C@@H]1c1ccccc1F 51954960 166693157 /nfs/dbraw/zinc/69/31/57/166693157.db2.gz JVWGFMCRLNEOTQ-SNVBAGLBSA-N 1 0 193.265 2.681 50 0 AFAARO CC1(C)[NH2+]CC[C@H]1Cc1ccccc1 51957216 166693664 /nfs/dbraw/zinc/69/36/64/166693664.db2.gz LRHNJHMOSGWPDW-LBPRGKRZSA-N 1 0 189.302 2.617 50 0 in-vitro AFAARO CC1(C)[NH2+]CC[C@@H]1c1ccccc1 51954802 166694928 /nfs/dbraw/zinc/69/49/28/166694928.db2.gz MHHHPJJEUYLYOO-LLVKDONJSA-N 1 0 175.275 2.542 50 0 AFAARO CC1(C)[NH2+]CC[C@@H]1c1ccc(F)cc1 51954904 166694959 /nfs/dbraw/zinc/69/49/59/166694959.db2.gz SJCTUNNTXXXAGF-LLVKDONJSA-N 1 0 193.265 2.681 50 0 AFAARO CC1CC[NH+](CC(C)(C)C)CC1 41168285 166748125 /nfs/dbraw/zinc/74/81/25/166748125.db2.gz NJGPIFMXPVIOPE-UHFFFAOYSA-N 1 0 169.312 2.764 50 0 AFAARO CCC(CC)[NH2+]Cc1ccccc1 19091335 166796076 /nfs/dbraw/zinc/79/60/76/166796076.db2.gz VOIZJUMZXMKPAY-UHFFFAOYSA-N 1 0 177.291 2.965 50 0 in-vitro AFAARO CCC(CC)[NH2+][C@@H]1CCCC[C@H]1OC 228133 166796766 /nfs/dbraw/zinc/79/67/66/166796766.db2.gz IEQCOANFCVABQA-VXGBXAGGSA-N 1 0 199.338 2.722 50 0 AFAARO CCC(CC)[NH2+][C@H]1CCCC[C@H]1OC 228130 166798341 /nfs/dbraw/zinc/79/83/41/166798341.db2.gz IEQCOANFCVABQA-NWDGAFQWSA-N 1 0 199.338 2.722 50 0 AFAARO CCC(CC)[NH2+][C@H]1CCCC[C@@H]1OC 228136 166798685 /nfs/dbraw/zinc/79/86/85/166798685.db2.gz IEQCOANFCVABQA-RYUDHWBXSA-N 1 0 199.338 2.722 50 0 AFAARO CCCCC1CCC([NH3+])CC1 1697739 166846306 /nfs/dbraw/zinc/84/63/06/166846306.db2.gz PZNZCCLRGXLYJI-UHFFFAOYSA-N 1 0 155.285 2.694 50 0 in-vitro AFAARO CCCCCC(C)(C)C[NH3+] 54634461 166848244 /nfs/dbraw/zinc/84/82/44/166848244.db2.gz AFYUBCQPUVSMBC-UHFFFAOYSA-N 1 0 143.274 2.552 50 0 in-vitro AFAARO CCCCCCC1CC[NH2+]CC1 62951044 166849640 /nfs/dbraw/zinc/84/96/40/166849640.db2.gz GVMFCPOAYNENIB-UHFFFAOYSA-N 1 0 169.312 2.956 50 0 AFAARO CCCCCC[C@@H]1CCC[NH2+]1 3732234 166857294 /nfs/dbraw/zinc/85/72/94/166857294.db2.gz KAPSVPRGMIZSEN-SNVBAGLBSA-N 1 0 155.285 2.709 50 0 in-vitro AFAARO CCCCC[NH2+]Cc1cccc(O)c1 19901505 166865828 /nfs/dbraw/zinc/86/58/28/166865828.db2.gz YQJQKXLRJKQBSG-UHFFFAOYSA-N 1 0 193.290 2.672 50 0 AFAARO CCCCCOCC[C@@H]1CCCC[NH2+]1 37114361 166868320 /nfs/dbraw/zinc/86/83/20/166868320.db2.gz LSSKDTYLYPTFAQ-LBPRGKRZSA-N 1 0 199.338 2.725 50 0 AFAARO CCCCCOCC[C@H]1CCC[NH2+]C1 42771771 166869073 /nfs/dbraw/zinc/86/90/73/166869073.db2.gz FJFUKFMMERSFOV-GFCCVEGCSA-N 1 0 199.338 2.583 50 0 AFAARO CCCCC[C@@H]([NH3+])C(C)(C)C 36683890 166871983 /nfs/dbraw/zinc/87/19/83/166871983.db2.gz ULCUGADHARAVOX-SECBINFHSA-N 1 0 157.301 2.940 50 0 in-vitro AFAARO CCCCC[C@@H]1CCCC[NH2+]1 3734435 166872715 /nfs/dbraw/zinc/87/27/15/166872715.db2.gz HBIBRQBCQFXEDA-SNVBAGLBSA-N 1 0 155.285 2.709 50 0 AFAARO CCCCC[C@H](C)CC[NH3+] 71773119 166874037 /nfs/dbraw/zinc/87/40/37/166874037.db2.gz GLLXYAXQZYZGBM-VIFPVBQESA-N 1 0 143.274 2.552 50 0 AFAARO CCCCC[C@H](C)[NH2+]C(C)C 20085525 166874146 /nfs/dbraw/zinc/87/41/46/166874146.db2.gz GORHWOUACWIXSD-JTQLQIEISA-N 1 0 157.301 2.953 50 0 AFAARO CCCCC[C@H]([NH3+])C(C)(C)C 36683889 166876901 /nfs/dbraw/zinc/87/69/01/166876901.db2.gz ULCUGADHARAVOX-VIFPVBQESA-N 1 0 157.301 2.940 50 0 in-vitro AFAARO CCCC[N@H+](C)c1ccc(N)cc1C 57381074 166882466 /nfs/dbraw/zinc/88/24/66/166882466.db2.gz LTGXRDDKEUKHQP-UHFFFAOYSA-N 1 0 192.306 2.814 50 0 AFAARO CCCC[NH+]1CCCCCC1 1627037 166890322 /nfs/dbraw/zinc/89/03/22/166890322.db2.gz IIUDBWFOJYPWAK-UHFFFAOYSA-N 1 0 155.285 2.663 50 0 AFAARO CCCC[NH+]1CCC(C)CC1 2171748 166890494 /nfs/dbraw/zinc/89/04/94/166890494.db2.gz AXMCYIWXDKWDCL-UHFFFAOYSA-N 1 0 155.285 2.518 50 0 in-vitro AFAARO CCCC[NH2+]Cc1ccc(C)s1 7261720 166898449 /nfs/dbraw/zinc/89/84/49/166898449.db2.gz CPVBLFPUNAPHLT-UHFFFAOYSA-N 1 0 183.320 2.946 50 0 AFAARO CCCC[NH2+][C@@H](C)[C@@H](C)CC 20088103 166900342 /nfs/dbraw/zinc/90/03/42/166900342.db2.gz JBYHEMBDJKKPBU-UWVGGRQHSA-N 1 0 157.301 2.811 50 0 AFAARO CCCC[NH2+][C@H](C)CCCC 37197952 166900820 /nfs/dbraw/zinc/90/08/20/166900820.db2.gz IXDGIDFQIUYTSG-SNVBAGLBSA-N 1 0 157.301 2.955 50 0 AFAARO CCCC[NH2+]Cc1ccc(F)cc1F 19906913 166901131 /nfs/dbraw/zinc/90/11/31/166901131.db2.gz LZTNOHUQFIXMEI-UHFFFAOYSA-N 1 0 199.244 2.855 50 0 AFAARO CCCC[NH2+]Cc1cccs1 1828218 166901592 /nfs/dbraw/zinc/90/15/92/166901592.db2.gz BXLRKCXLIJDFGM-UHFFFAOYSA-N 1 0 169.293 2.638 50 0 in-vitro AFAARO CCCC[NH2+][C@H]1CCC[C@@H](C)C1 19906936 166903593 /nfs/dbraw/zinc/90/35/93/166903593.db2.gz KFJUEEKIJVBZSQ-MNOVXSKESA-N 1 0 169.312 2.955 50 0 AFAARO CCCCSC[C@H]([NH2+]C)C1CC1 81770027 166911250 /nfs/dbraw/zinc/91/12/50/166911250.db2.gz OBDGSSKFWIZFEM-JTQLQIEISA-N 1 0 187.352 2.518 50 0 AFAARO CCCCSC[C@@H]([NH2+]C)C1CC1 81770029 166912353 /nfs/dbraw/zinc/91/23/53/166912353.db2.gz OBDGSSKFWIZFEM-SNVBAGLBSA-N 1 0 187.352 2.518 50 0 AFAARO CCCC[C@@H](CC)COCCC[NH3+] 1587818 166916075 /nfs/dbraw/zinc/91/60/75/166916075.db2.gz DVFGEIYOLIFSRX-LLVKDONJSA-N 1 0 187.327 2.568 50 0 AFAARO CCCC[C@@H]1CCCCC[NH2+]1 3734918 166918638 /nfs/dbraw/zinc/91/86/38/166918638.db2.gz GSLRTQOKVFSYHT-SNVBAGLBSA-N 1 0 155.285 2.709 50 0 in-vitro AFAARO CCC[NH+](CCC)CCC 1632621 166956273 /nfs/dbraw/zinc/95/62/73/166956273.db2.gz YFTHZRPMJXBUME-UHFFFAOYSA-N 1 0 143.274 2.518 50 0 endogenous,in-man AFAARO CCC[NH2+]CC(C)(C)c1ccccc1 36947864 166984609 /nfs/dbraw/zinc/98/46/09/166984609.db2.gz ULEVVONLMHRUJI-UHFFFAOYSA-N 1 0 191.318 2.964 50 0 in-vitro AFAARO CCC[NH2+]CC1CCCCC1 6659080 166986206 /nfs/dbraw/zinc/98/62/06/166986206.db2.gz HIAYJLWFQQQPGR-UHFFFAOYSA-N 1 0 155.285 2.566 50 0 in-vitro AFAARO CCC[NH2+]Cc1ccc(OCC)cc1 7262377 166989783 /nfs/dbraw/zinc/98/97/83/166989783.db2.gz MBSKUJLYIMXZBH-UHFFFAOYSA-N 1 0 193.290 2.585 50 0 in-vitro AFAARO CCC[NH2+]Cc1ccc(C)c(C)c1 36923314 166991221 /nfs/dbraw/zinc/99/12/21/166991221.db2.gz NMYSEUAWNUVTDC-UHFFFAOYSA-N 1 0 177.291 2.803 50 0 AFAARO CCC[NH2+]Cc1ccccc1OCC 7262414 166991276 /nfs/dbraw/zinc/99/12/76/166991276.db2.gz GQBWVDZMFLRMRD-UHFFFAOYSA-N 1 0 193.290 2.585 50 0 AFAARO CCC[NH2+]Cc1ccc(F)c(C)c1 37982966 166991357 /nfs/dbraw/zinc/99/13/57/166991357.db2.gz CWXXCLOZPYWBJT-UHFFFAOYSA-N 1 0 181.254 2.634 50 0 AFAARO CCC[NH2+][C@@H](C)c1ccc(F)cc1 19515860 166995246 /nfs/dbraw/zinc/99/52/46/166995246.db2.gz ARLKPYRUMJJANB-VIFPVBQESA-N 1 0 181.254 2.886 50 0 AFAARO CCC[NH2+][C@@H](C)c1cccc(F)c1 19436369 166995614 /nfs/dbraw/zinc/99/56/14/166995614.db2.gz KLDYMETWUQJURX-VIFPVBQESA-N 1 0 181.254 2.886 50 0 AFAARO CCC[NH2+][C@@H](C)c1ccccc1OC 19513590 166995701 /nfs/dbraw/zinc/99/57/01/166995701.db2.gz QTUOYYFCEHNZOD-JTQLQIEISA-N 1 0 193.290 2.756 50 0 in-vitro AFAARO CCC[NH2+][C@@H]1CCC[C@@H](C)C1 10473490 166997663 /nfs/dbraw/zinc/99/76/63/166997663.db2.gz XCSDZAOBQAHRBV-NXEZZACHSA-N 1 0 155.285 2.565 50 0 in-vitro AFAARO CCC[NH2+][C@@H]1CCc2ccccc21 19433108 166998127 /nfs/dbraw/zinc/99/81/27/166998127.db2.gz XSAZJUHKYQQWFJ-GFCCVEGCSA-N 1 0 175.275 2.674 50 0 in-vitro AFAARO CCC[NH2+][C@H](C)c1ccccc1OC 19513592 167000004 /nfs/dbraw/zinc/00/00/04/167000004.db2.gz QTUOYYFCEHNZOD-SNVBAGLBSA-N 1 0 193.290 2.756 50 0 in-vitro AFAARO CCC[NH2+][C@H](C)c1ccccc1 4698877 167000201 /nfs/dbraw/zinc/00/02/01/167000201.db2.gz MQOWUQJOBIHPPR-SNVBAGLBSA-N 1 0 163.264 2.747 50 0 in-vitro AFAARO CCC[NH2+][C@H](C)c1ccccc1F 19424329 167000292 /nfs/dbraw/zinc/00/02/92/167000292.db2.gz BWAZMRHTCOUKOO-SECBINFHSA-N 1 0 181.254 2.886 50 0 AFAARO CCC[NH2+][C@H](C)c1ccc(C)o1 19435074 167000355 /nfs/dbraw/zinc/00/03/55/167000355.db2.gz KECJRBDMKCEXRA-SECBINFHSA-N 1 0 167.252 2.649 50 0 AFAARO CCC[NH2+][C@H](C)C1CCCCC1 37184367 167000596 /nfs/dbraw/zinc/00/05/96/167000596.db2.gz NKPYDKIYCJRIEA-SNVBAGLBSA-N 1 0 169.312 2.955 50 0 AFAARO CCC[NH2+][C@H](C)Cc1ccccc1 3610605 167000807 /nfs/dbraw/zinc/00/08/07/167000807.db2.gz SNPGTHLGFHVIDA-LLVKDONJSA-N 1 0 177.291 2.617 50 0 in-vitro AFAARO CCC[NH2+][C@H](C)c1ccc(OC)cc1 19515619 167000929 /nfs/dbraw/zinc/00/09/29/167000929.db2.gz NJWPPJUUTQZMPF-SNVBAGLBSA-N 1 0 193.290 2.756 50 0 AFAARO CCC[NH2+][C@H](C)c1cccc(F)c1 19436371 167001285 /nfs/dbraw/zinc/00/12/85/167001285.db2.gz KLDYMETWUQJURX-SECBINFHSA-N 1 0 181.254 2.886 50 0 AFAARO CCC[NH2+][C@H](C)c1ccc(F)cc1 19515862 167001392 /nfs/dbraw/zinc/00/13/92/167001392.db2.gz ARLKPYRUMJJANB-SECBINFHSA-N 1 0 181.254 2.886 50 0 AFAARO CCC[NH2+][C@H]1CCC[C@@H](C)C1 10473491 167001678 /nfs/dbraw/zinc/00/16/78/167001678.db2.gz XCSDZAOBQAHRBV-ZJUUUORDSA-N 1 0 155.285 2.565 50 0 in-vitro AFAARO CCC[NH2+][C@H]1CCc2ccccc21 19433109 167002015 /nfs/dbraw/zinc/00/20/15/167002015.db2.gz XSAZJUHKYQQWFJ-LBPRGKRZSA-N 1 0 175.275 2.674 50 0 in-vitro AFAARO CCC[NH2+][C@H]1CCc2ccccc2C1 27858949 167002073 /nfs/dbraw/zinc/00/20/73/167002073.db2.gz CHNZNFYUKYAHER-ZDUSSCGKSA-N 1 0 189.302 2.544 50 0 in-vitro AFAARO CCC[NH2+][C@H]1CCCC[C@H]1C 19435819 167002670 /nfs/dbraw/zinc/00/26/70/167002670.db2.gz KZEUCUMBPHGUIX-ZJUUUORDSA-N 1 0 155.285 2.565 50 0 AFAARO CCCOc1ccc(C[NH2+]CC)cc1 20084515 167018032 /nfs/dbraw/zinc/01/80/32/167018032.db2.gz VBNVYGIVTDPKFT-UHFFFAOYSA-N 1 0 193.290 2.585 50 0 AFAARO CCCOc1ccc([C@@H]([NH3+])CC)cc1 19092988 167018406 /nfs/dbraw/zinc/01/84/06/167018406.db2.gz UXBGKVYPMODQSH-LBPRGKRZSA-N 1 0 193.290 2.885 50 0 in-vitro AFAARO CCCOc1ccc(C(C)(C)[NH3+])cc1 55262303 167018539 /nfs/dbraw/zinc/01/85/39/167018539.db2.gz LAPYAOOHLUQVQX-UHFFFAOYSA-N 1 0 193.290 2.669 50 0 in-vitro AFAARO CCCOc1ccc(Cl)cc1C[NH3+] 11948577 167018797 /nfs/dbraw/zinc/01/87/97/167018797.db2.gz ZYZSTQRIWNVQAN-UHFFFAOYSA-N 1 0 199.681 2.588 50 0 in-vitro AFAARO CCCOc1ccc([C@H]([NH3+])CC)cc1 19092990 167020190 /nfs/dbraw/zinc/02/01/90/167020190.db2.gz UXBGKVYPMODQSH-GFCCVEGCSA-N 1 0 193.290 2.885 50 0 in-vitro AFAARO CCCOc1cccc(C[NH2+]CC)c1 20924851 167021650 /nfs/dbraw/zinc/02/16/50/167021650.db2.gz WIIXYSGYWVAERX-UHFFFAOYSA-N 1 0 193.290 2.585 50 0 AFAARO CCCOc1ccccc1C[NH2+]CC 20924426 167022020 /nfs/dbraw/zinc/02/20/20/167022020.db2.gz UPURTPDUCVTAJD-UHFFFAOYSA-N 1 0 193.290 2.585 50 0 AFAARO CCC[C@@H](C)C[NH2+]Cc1ccco1 20084012 167029571 /nfs/dbraw/zinc/02/95/71/167029571.db2.gz NYULVUYGGVQSFZ-SNVBAGLBSA-N 1 0 181.279 2.805 50 0 AFAARO CCC[C@@H](C)[NH2+]Cc1cccc(O)c1 19903059 167035043 /nfs/dbraw/zinc/03/50/43/167035043.db2.gz JYYBKJPOYYVOKY-SNVBAGLBSA-N 1 0 193.290 2.670 50 0 AFAARO CCC[C@@H](C)[NH2+]Cc1ccccc1 19091316 167036504 /nfs/dbraw/zinc/03/65/04/167036504.db2.gz KXYCDEJYLLBNMM-LLVKDONJSA-N 1 0 177.291 2.965 50 0 in-vitro AFAARO CCC[C@@H](C[NH3+])c1ccccc1 34273326 167042186 /nfs/dbraw/zinc/04/21/86/167042186.db2.gz SQMNYSQPHYHTSO-NSHDSACASA-N 1 0 163.264 2.529 50 0 AFAARO CCC[C@@H](C[NH3+])c1ccc(F)cc1 40541654 167042442 /nfs/dbraw/zinc/04/24/42/167042442.db2.gz IODPHOCWDVDRFU-JTQLQIEISA-N 1 0 181.254 2.668 50 0 AFAARO CCC[C@@H]([NH3+])C1CCCCC1 37466936 167043324 /nfs/dbraw/zinc/04/33/24/167043324.db2.gz XBBUVRNYVXYZEO-SNVBAGLBSA-N 1 0 155.285 2.694 50 0 in-vitro AFAARO CCC[C@@H]([NH3+])CCc1ccccc1 37408558 167044233 /nfs/dbraw/zinc/04/42/33/167044233.db2.gz VPRXVPWWCRIOJJ-GFCCVEGCSA-N 1 0 177.291 2.747 50 0 in-vitro AFAARO CCC[C@@H]([NH3+])c1ccc(F)cc1F 19968993 167046917 /nfs/dbraw/zinc/04/69/17/167046917.db2.gz UYWOZTJRNLKMSP-SNVBAGLBSA-N 1 0 185.217 2.765 50 0 AFAARO CCC[C@@H]([NH3+])c1ccc(F)cc1 19414637 167047111 /nfs/dbraw/zinc/04/71/11/167047111.db2.gz ZIQUQHBBALXDFL-SNVBAGLBSA-N 1 0 167.227 2.626 50 0 AFAARO CCC[C@@H]([NH3+])c1cccc(F)c1 37466107 167047616 /nfs/dbraw/zinc/04/76/16/167047616.db2.gz YVAAOXFAYOJLEF-SNVBAGLBSA-N 1 0 167.227 2.626 50 0 AFAARO CCC[C@@H]([NH3+])c1ccc(C)cc1 19421907 167047707 /nfs/dbraw/zinc/04/77/07/167047707.db2.gz KONSGDUJYXXYMT-LLVKDONJSA-N 1 0 163.264 2.795 50 0 AFAARO CCC[C@@H]([NH3+])c1cccs1 4383807 167047895 /nfs/dbraw/zinc/04/78/95/167047895.db2.gz TZMMVAUKJDWTAK-SSDOTTSWSA-N 1 0 155.266 2.548 50 0 in-vitro AFAARO CCC[C@@H]([NH3+])c1ccccc1F 41168132 167048505 /nfs/dbraw/zinc/04/85/05/167048505.db2.gz JCJTULFTIJYNOZ-SNVBAGLBSA-N 1 0 167.227 2.626 50 0 AFAARO CCC[C@@H]([NH3+])c1ccccc1C 37466894 167048756 /nfs/dbraw/zinc/04/87/56/167048756.db2.gz CXIYSBUAZIOUNW-LLVKDONJSA-N 1 0 163.264 2.795 50 0 in-vitro AFAARO CCC[C@@H]([NH2+]C)c1cccc(OC)c1 11757542 167049089 /nfs/dbraw/zinc/04/90/89/167049089.db2.gz WOXOJXOOAPGDFC-GFCCVEGCSA-N 1 0 193.290 2.756 50 0 AFAARO CCC[C@@H]([NH3+])c1cc(F)cc(F)c1 41203008 167049191 /nfs/dbraw/zinc/04/91/91/167049191.db2.gz GBBJPRXGGARYPF-SNVBAGLBSA-N 1 0 185.217 2.765 50 0 AFAARO CCC[C@@H]1CCCC[C@H]1C[NH3+] 83825346 167052008 /nfs/dbraw/zinc/05/20/08/167052008.db2.gz AAFUCSWEFOUMQC-ZJUUUORDSA-N 1 0 155.285 2.552 50 0 AFAARO CCC[C@@H]1CCCC[C@@H]1C[NH3+] 83825340 167052918 /nfs/dbraw/zinc/05/29/18/167052918.db2.gz AAFUCSWEFOUMQC-NXEZZACHSA-N 1 0 155.285 2.552 50 0 AFAARO CCC[C@@H]1[NH2+]CCc2ccccc21 34604329 167056170 /nfs/dbraw/zinc/05/61/70/167056170.db2.gz LECSIQWALUVWLW-LBPRGKRZSA-N 1 0 175.275 2.674 50 0 in-vitro AFAARO CCC[C@@](C)([NH3+])c1ccccc1 37415621 167058799 /nfs/dbraw/zinc/05/87/99/167058799.db2.gz UYHZEICCELUQFG-LLVKDONJSA-N 1 0 163.264 2.661 50 0 AFAARO CCC[C@@]1(CC[NH3+])CCOC(C)(C)C1 96113684 167062255 /nfs/dbraw/zinc/06/22/55/167062255.db2.gz FFKFZVBZDLZVDJ-GFCCVEGCSA-N 1 0 199.338 2.711 50 0 biogenic AFAARO CCC[C@H](C)C[NH2+]Cc1ccco1 20084015 167065046 /nfs/dbraw/zinc/06/50/46/167065046.db2.gz NYULVUYGGVQSFZ-JTQLQIEISA-N 1 0 181.279 2.805 50 0 AFAARO CCC[C@H](C)[NH2+]Cc1cccc(O)c1 19903060 167070787 /nfs/dbraw/zinc/07/07/87/167070787.db2.gz JYYBKJPOYYVOKY-JTQLQIEISA-N 1 0 193.290 2.670 50 0 AFAARO CCC[C@H](C)[NH2+]Cc1ccccc1 19091320 167071561 /nfs/dbraw/zinc/07/15/61/167071561.db2.gz KXYCDEJYLLBNMM-NSHDSACASA-N 1 0 177.291 2.965 50 0 in-vitro AFAARO CCC[C@H](C[NH3+])c1ccccc1 34273327 167078409 /nfs/dbraw/zinc/07/84/09/167078409.db2.gz SQMNYSQPHYHTSO-LLVKDONJSA-N 1 0 163.264 2.529 50 0 AFAARO CCC[C@H]([NH3+])CCc1ccccc1 37408557 167079106 /nfs/dbraw/zinc/07/91/06/167079106.db2.gz VPRXVPWWCRIOJJ-LBPRGKRZSA-N 1 0 177.291 2.747 50 0 in-vitro AFAARO CCC[C@H]([NH3+])C1CCCCC1 37466934 167079179 /nfs/dbraw/zinc/07/91/79/167079179.db2.gz XBBUVRNYVXYZEO-JTQLQIEISA-N 1 0 155.285 2.694 50 0 in-vitro AFAARO CCC[C@H](C[NH3+])c1ccc(F)cc1 40541656 167080542 /nfs/dbraw/zinc/08/05/42/167080542.db2.gz IODPHOCWDVDRFU-SNVBAGLBSA-N 1 0 181.254 2.668 50 0 AFAARO CCC[C@H]([NH3+])c1ccccc1C 37466892 167081182 /nfs/dbraw/zinc/08/11/82/167081182.db2.gz CXIYSBUAZIOUNW-NSHDSACASA-N 1 0 163.264 2.795 50 0 in-vitro AFAARO CCC[C@H]([NH3+])c1ccccc1F 41168131 167081732 /nfs/dbraw/zinc/08/17/32/167081732.db2.gz JCJTULFTIJYNOZ-JTQLQIEISA-N 1 0 167.227 2.626 50 0 AFAARO CCC[C@H]([NH3+])c1ccc(C)cc1 19421909 167082226 /nfs/dbraw/zinc/08/22/26/167082226.db2.gz KONSGDUJYXXYMT-NSHDSACASA-N 1 0 163.264 2.795 50 0 AFAARO CCC[C@H]([NH3+])c1ccc(F)cc1 19414639 167082369 /nfs/dbraw/zinc/08/23/69/167082369.db2.gz ZIQUQHBBALXDFL-JTQLQIEISA-N 1 0 167.227 2.626 50 0 in-vitro AFAARO CCC[C@H]([NH3+])c1cccc(F)c1 37466105 167082919 /nfs/dbraw/zinc/08/29/19/167082919.db2.gz YVAAOXFAYOJLEF-JTQLQIEISA-N 1 0 167.227 2.626 50 0 AFAARO CCC[C@H]([NH2+]C)c1cccc(OC)c1 11757543 167082928 /nfs/dbraw/zinc/08/29/28/167082928.db2.gz WOXOJXOOAPGDFC-LBPRGKRZSA-N 1 0 193.290 2.756 50 0 AFAARO CCC[C@H]([NH3+])c1cccs1 4383806 167083196 /nfs/dbraw/zinc/08/31/96/167083196.db2.gz TZMMVAUKJDWTAK-ZETCQYMHSA-N 1 0 155.266 2.548 50 0 in-vitro AFAARO CCC[C@H]([NH3+])c1cc(F)cc(F)c1 41203005 167083736 /nfs/dbraw/zinc/08/37/36/167083736.db2.gz GBBJPRXGGARYPF-JTQLQIEISA-N 1 0 185.217 2.765 50 0 AFAARO CCC[C@H]([NH3+])c1ccc(F)cc1F 19968994 167083874 /nfs/dbraw/zinc/08/38/74/167083874.db2.gz UYWOZTJRNLKMSP-JTQLQIEISA-N 1 0 185.217 2.765 50 0 AFAARO CCC[C@H]1CCCC[C@H]1C[NH3+] 83825349 167087738 /nfs/dbraw/zinc/08/77/38/167087738.db2.gz AAFUCSWEFOUMQC-UWVGGRQHSA-N 1 0 155.285 2.552 50 0 AFAARO CCC[C@H]1CCCC[C@@H]1C[NH3+] 83825344 167088462 /nfs/dbraw/zinc/08/84/62/167088462.db2.gz AAFUCSWEFOUMQC-VHSXEESVSA-N 1 0 155.285 2.552 50 0 AFAARO CCC[C@H]1[NH2+]CCc2ccccc21 34604327 167090758 /nfs/dbraw/zinc/09/07/58/167090758.db2.gz LECSIQWALUVWLW-GFCCVEGCSA-N 1 0 175.275 2.674 50 0 in-vitro AFAARO CCC[C@](C)([NH3+])c1ccccc1 37415619 167092546 /nfs/dbraw/zinc/09/25/46/167092546.db2.gz UYHZEICCELUQFG-NSHDSACASA-N 1 0 163.264 2.661 50 0 AFAARO CCC[n+]1cccc2cc(C)ccc21 1225190 167095767 /nfs/dbraw/zinc/09/57/67/167095767.db2.gz JEQLEOWDLHKBJO-UHFFFAOYSA-N 1 0 186.278 2.846 50 0 AFAARO CCC[n+]1ccc(C)c2ccccc21 5597689 167096050 /nfs/dbraw/zinc/09/60/50/167096050.db2.gz IRAHFCHOTFZMRZ-UHFFFAOYSA-N 1 0 186.278 2.846 50 0 AFAARO CCC[n+]1c(C)sc2ccccc21 4775581 167096242 /nfs/dbraw/zinc/09/62/42/167096242.db2.gz SPNULQAFNCKAPD-UHFFFAOYSA-N 1 0 192.307 2.907 50 0 AFAARO CCC[n+]1csc2ccccc21 404838 167096302 /nfs/dbraw/zinc/09/63/02/167096302.db2.gz ROHUMEUEIMBOSL-UHFFFAOYSA-N 1 0 178.280 2.599 50 0 AFAARO CCC[C@]1(CC[NH3+])CCOC(C)(C)C1 96113683 167096807 /nfs/dbraw/zinc/09/68/07/167096807.db2.gz FFKFZVBZDLZVDJ-LBPRGKRZSA-N 1 0 199.338 2.711 50 0 biogenic AFAARO CCCc1cc(N)c2ccccc2[nH+]1 36075532 167100932 /nfs/dbraw/zinc/10/09/32/167100932.db2.gz AIARCVIPBFNMEW-UHFFFAOYSA-N 1 0 186.258 2.770 50 0 in-vitro AFAARO CCCc1ccc([C@@H](C)[NH3+])cc1 2391969 167102429 /nfs/dbraw/zinc/10/24/29/167102429.db2.gz JJHHWCQQAOZVKQ-SECBINFHSA-N 1 0 163.264 2.659 50 0 in-vitro AFAARO CCCc1ccc([C@H](C)[NH3+])cc1 3705367 167104076 /nfs/dbraw/zinc/10/40/76/167104076.db2.gz JJHHWCQQAOZVKQ-VIFPVBQESA-N 1 0 163.264 2.659 50 0 in-vitro AFAARO CCC[NH2+][C@H]1CCCC[C@@H]1C 19435815 167002972 /nfs/dbraw/zinc/00/29/72/167002972.db2.gz KZEUCUMBPHGUIX-UWVGGRQHSA-N 1 0 155.285 2.565 50 0 AFAARO CCC[NH2+][C@H]1CCC[C@H](C)C1 10473489 167003038 /nfs/dbraw/zinc/00/30/38/167003038.db2.gz XCSDZAOBQAHRBV-UWVGGRQHSA-N 1 0 155.285 2.565 50 0 in-vitro AFAARO CCCc1ccc2c(c1)C[NH2+]CCC2 57936786 167107746 /nfs/dbraw/zinc/10/77/46/167107746.db2.gz LIKRREWXUPDEBP-UHFFFAOYSA-N 1 0 189.302 2.675 50 0 AFAARO CCCc1sc2ccccc2[n+]1C 2871027 167115801 /nfs/dbraw/zinc/11/58/01/167115801.db2.gz LALRHFKFZBUILP-UHFFFAOYSA-N 1 0 192.307 2.678 50 0 AFAARO CC[N@H+](C)Cc1sccc1C 65575463 167145349 /nfs/dbraw/zinc/14/53/49/167145349.db2.gz YGTPTKUTNDGPJK-UHFFFAOYSA-N 1 0 169.293 2.508 50 0 AFAARO CC[NH+](CC)C1CCCCC1 1680839 167163741 /nfs/dbraw/zinc/16/37/41/167163741.db2.gz CIXSDMKDSYXUMJ-UHFFFAOYSA-N 1 0 155.285 2.661 50 0 AFAARO CC[NH+](CC)CCCc1ccccc1 1673611 167165470 /nfs/dbraw/zinc/16/54/70/167165470.db2.gz FPPYFDBIUGVMNA-UHFFFAOYSA-N 1 0 191.318 2.961 50 0 AFAARO CC[NH+](CC)CCc1ccccc1 5019628 167166023 /nfs/dbraw/zinc/16/60/23/167166023.db2.gz WPABBAJWZPZLPM-UHFFFAOYSA-N 1 0 177.291 2.571 50 0 AFAARO CC[NH+](CC)CCOC1=CCC=CC1 4800747 167168042 /nfs/dbraw/zinc/16/80/42/167168042.db2.gz SYIFFSXIQMMYOA-UHFFFAOYSA-N 1 0 195.306 2.579 50 0 AFAARO CC[NH+](CC)Cc1ccccc1 1716726 167169392 /nfs/dbraw/zinc/16/93/92/167169392.db2.gz ZWRDBWDXRLPESY-UHFFFAOYSA-N 1 0 163.264 2.528 50 0 AFAARO CC[NH+](CC)Cc1cccs1 73739839 167169568 /nfs/dbraw/zinc/16/95/68/167169568.db2.gz ZYVYZCLEVCIHAE-UHFFFAOYSA-N 1 0 169.293 2.590 50 0 AFAARO CC[NH+](CC)Cc1ccc(C)cc1 4690638 167171044 /nfs/dbraw/zinc/17/10/44/167171044.db2.gz HCJZYTOTRSBGAQ-UHFFFAOYSA-N 1 0 177.291 2.837 50 0 AFAARO CC[N@H+](Cc1ccccc1)C1CC1 65575457 167194120 /nfs/dbraw/zinc/19/41/20/167194120.db2.gz DCNDDBDTOODWEU-UHFFFAOYSA-N 1 0 175.275 2.671 50 0 AFAARO CC[NH2+]C(C)(C)c1ccccc1 113899396 167255232 /nfs/dbraw/zinc/25/52/32/167255232.db2.gz PQMJTIPRCUOHJU-UHFFFAOYSA-N 1 0 163.264 2.531 50 0 AFAARO CC[NH2+]C12CC3CC(CC(C3)C1)C2 3886053 167259390 /nfs/dbraw/zinc/25/93/90/167259390.db2.gz VXGGWVBRICYCGO-UHFFFAOYSA-N 1 0 179.307 2.565 50 0 in-vitro AFAARO CC[NH2+]C[C@@H](CC)c1ccccc1 36923795 167268685 /nfs/dbraw/zinc/26/86/85/167268685.db2.gz CKDGQUSKFUAVSS-LLVKDONJSA-N 1 0 177.291 2.790 50 0 in-vitro AFAARO CC[NH2+]CCSc1ccc(C)cc1 19094328 167268880 /nfs/dbraw/zinc/26/88/80/167268880.db2.gz BSLRZQKDBMWZDQ-UHFFFAOYSA-N 1 0 195.331 2.697 50 0 in-vitro AFAARO CC[NH2+]C[C@H](CC)c1ccccc1 36923793 167271472 /nfs/dbraw/zinc/27/14/72/167271472.db2.gz CKDGQUSKFUAVSS-NSHDSACASA-N 1 0 177.291 2.790 50 0 in-vitro AFAARO CC[NH2+]Cc1ccc(Cl)c(C)c1 82722050 167273307 /nfs/dbraw/zinc/27/33/07/167273307.db2.gz FBUQNUNXHPDJQF-UHFFFAOYSA-N 1 0 183.682 2.758 50 0 AFAARO CC[NH2+]Cc1ccc(SC)cc1 8227290 167273995 /nfs/dbraw/zinc/27/39/95/167273995.db2.gz VFHSHUCUJKSJJX-UHFFFAOYSA-N 1 0 181.304 2.518 50 0 AFAARO CC[NH2+]Cc1ccc(C(C)C)cc1 7524168 167274780 /nfs/dbraw/zinc/27/47/80/167274780.db2.gz IMAULWNZPIFDCG-UHFFFAOYSA-N 1 0 177.291 2.920 50 0 in-vitro AFAARO CC[NH2+]Cc1cc2ccccc2o1 12650877 167274909 /nfs/dbraw/zinc/27/49/09/167274909.db2.gz WQOVUJNBLMNJEC-UHFFFAOYSA-N 1 0 175.231 2.542 50 0 in-vitro AFAARO CC[NH2+]Cc1ccc(Cl)s1 3333992 167275290 /nfs/dbraw/zinc/27/52/90/167275290.db2.gz PMWLAERHYHLCCV-UHFFFAOYSA-N 1 0 175.684 2.511 50 0 in-vitro AFAARO CC[NH2+]Cc1c(F)cccc1Cl 2510324 167275762 /nfs/dbraw/zinc/27/57/62/167275762.db2.gz UYMQEQZDCJUWPU-UHFFFAOYSA-N 1 0 187.645 2.589 50 0 AFAARO CC[NH2+]Cc1ccccc1OC(C)C 33432870 167276420 /nfs/dbraw/zinc/27/64/20/167276420.db2.gz RZYMQDNWTTYZLM-UHFFFAOYSA-N 1 0 193.290 2.583 50 0 AFAARO CC[NH2+]Cc1ccc2ccccc2c1 19474196 167277752 /nfs/dbraw/zinc/27/77/52/167277752.db2.gz KSGVRUGRMOXBBQ-UHFFFAOYSA-N 1 0 185.270 2.949 50 0 AFAARO CC[NH2+]Cc1cccc2ccccc12 8227312 167278256 /nfs/dbraw/zinc/27/82/56/167278256.db2.gz JFVQSRKXAAXZIK-UHFFFAOYSA-N 1 0 185.270 2.949 50 0 AFAARO CC[NH2+][C@@H](C)C1CCCCC1 37184585 167282513 /nfs/dbraw/zinc/28/25/13/167282513.db2.gz PHVBLKGDIJEAQE-VIFPVBQESA-N 1 0 155.285 2.565 50 0 AFAARO CC[NH2+][C@@H](C)c1ccc(C)cc1C 19441071 167284652 /nfs/dbraw/zinc/28/46/52/167284652.db2.gz ACRJWXGAKGXBGN-NSHDSACASA-N 1 0 177.291 2.974 50 0 AFAARO CC[NH2+][C@@H](C)c1ccc(F)cc1F 19509319 167285665 /nfs/dbraw/zinc/28/56/65/167285665.db2.gz RDEOKZSHCDOSEA-ZETCQYMHSA-N 1 0 185.217 2.635 50 0 AFAARO CC[NH2+][C@@H](CC)Cc1ccccc1 37467378 167286615 /nfs/dbraw/zinc/28/66/15/167286615.db2.gz KHWYSUBVXWWBRB-LBPRGKRZSA-N 1 0 177.291 2.617 50 0 in-vitro AFAARO CC[NH2+][C@@H](CC)c1ccc(OC)cc1 5235724 167286803 /nfs/dbraw/zinc/28/68/03/167286803.db2.gz XBFZYRMVEHPXLF-LBPRGKRZSA-N 1 0 193.290 2.756 50 0 in-vitro AFAARO CC[NH2+][C@@H](CC)c1ccccc1 19519563 167287830 /nfs/dbraw/zinc/28/78/30/167287830.db2.gz IFIZHIAVDJBZBY-NSHDSACASA-N 1 0 163.264 2.747 50 0 in-vitro AFAARO CC[NH2+][C@@H](CC)Cc1ccc(C)cc1 37468619 167288899 /nfs/dbraw/zinc/28/88/99/167288899.db2.gz HIIBPRPOERTBOZ-ZDUSSCGKSA-N 1 0 191.318 2.926 50 0 in-vitro AFAARO CC[NH2+][C@@H]1CCCc2ccccc21 5650449 167290333 /nfs/dbraw/zinc/29/03/33/167290333.db2.gz YCQQIGNKPQHCNT-GFCCVEGCSA-N 1 0 175.275 2.674 50 0 AFAARO CC[NH2+][C@@H]1CCCOc2ccccc21 35652702 167292140 /nfs/dbraw/zinc/29/21/40/167292140.db2.gz MJVUTQATBUWPDF-LLVKDONJSA-N 1 0 191.274 2.510 50 0 AFAARO CC[NH2+][C@H](C)c1ccc(C)cc1C 19441073 167295326 /nfs/dbraw/zinc/29/53/26/167295326.db2.gz ACRJWXGAKGXBGN-LLVKDONJSA-N 1 0 177.291 2.974 50 0 AFAARO CC[NH2+][C@H](C)c1ccc(F)cc1F 19509321 167295531 /nfs/dbraw/zinc/29/55/31/167295531.db2.gz RDEOKZSHCDOSEA-SSDOTTSWSA-N 1 0 185.217 2.635 50 0 AFAARO CC[NH2+][C@H](C)C1CCCCC1 37184586 167296016 /nfs/dbraw/zinc/29/60/16/167296016.db2.gz PHVBLKGDIJEAQE-SECBINFHSA-N 1 0 155.285 2.565 50 0 AFAARO CC[NH2+][C@H](CC)c1ccc(OC)cc1 5235725 167297689 /nfs/dbraw/zinc/29/76/89/167297689.db2.gz XBFZYRMVEHPXLF-GFCCVEGCSA-N 1 0 193.290 2.756 50 0 in-vitro AFAARO CC[NH2+][C@H](CC)c1ccccc1 19519564 167297700 /nfs/dbraw/zinc/29/77/00/167297700.db2.gz IFIZHIAVDJBZBY-LLVKDONJSA-N 1 0 163.264 2.747 50 0 in-vitro AFAARO CC[NH2+][C@H](CC)Cc1ccccc1 37467379 167299043 /nfs/dbraw/zinc/29/90/43/167299043.db2.gz KHWYSUBVXWWBRB-GFCCVEGCSA-N 1 0 177.291 2.617 50 0 in-vitro AFAARO CC[NH2+][C@H](CC)Cc1ccc(C)cc1 37468621 167299136 /nfs/dbraw/zinc/29/91/36/167299136.db2.gz HIIBPRPOERTBOZ-CYBMUJFWSA-N 1 0 191.318 2.926 50 0 in-vitro AFAARO CC[NH2+][C@H]1CCCOc2ccccc21 35652703 167301998 /nfs/dbraw/zinc/30/19/98/167301998.db2.gz MJVUTQATBUWPDF-NSHDSACASA-N 1 0 191.274 2.510 50 0 AFAARO CC[NH2+][C@H]1CCCc2ccccc21 5650454 167302467 /nfs/dbraw/zinc/30/24/67/167302467.db2.gz YCQQIGNKPQHCNT-LBPRGKRZSA-N 1 0 175.275 2.674 50 0 AFAARO CCNc1ccc([N+]#N)cc1C 4558802 167309844 /nfs/dbraw/zinc/30/98/44/167309844.db2.gz VPMZFRCOUNREJJ-UHFFFAOYSA-N 1 0 162.216 2.911 50 0 AFAARO CCOCCC[NH2+][C@H]1CCCC[C@@H]1C 19962817 167384388 /nfs/dbraw/zinc/38/43/88/167384388.db2.gz SJZNTXQJEUDLBX-RYUDHWBXSA-N 1 0 199.338 2.581 50 0 AFAARO CCOCCC[NH2+][C@H]1CCC[C@@H](C)C1 19962833 167384563 /nfs/dbraw/zinc/38/45/63/167384563.db2.gz AOYSOGYUEVGEOI-NEPJUHHUSA-N 1 0 199.338 2.581 50 0 AFAARO CCOCCC[NH2+]C1CCCCCC1 19962791 167384797 /nfs/dbraw/zinc/38/47/97/167384797.db2.gz WXAFLEOYHPBDFR-UHFFFAOYSA-N 1 0 199.338 2.725 50 0 AFAARO CCOCCC[NH2+][C@@H]1CCC[C@H](C)C1 19962835 167384811 /nfs/dbraw/zinc/38/48/11/167384811.db2.gz AOYSOGYUEVGEOI-NWDGAFQWSA-N 1 0 199.338 2.581 50 0 AFAARO CCOCCC[NH2+][C@@H]1CCCC[C@@H]1C 19962815 167384986 /nfs/dbraw/zinc/38/49/86/167384986.db2.gz SJZNTXQJEUDLBX-NWDGAFQWSA-N 1 0 199.338 2.581 50 0 AFAARO CCOCCC[NH2+][C@@H]1CCC[C@@H](C)C1 19962831 167385565 /nfs/dbraw/zinc/38/55/65/167385565.db2.gz AOYSOGYUEVGEOI-VXGBXAGGSA-N 1 0 199.338 2.581 50 0 AFAARO CCOCCC[NH2+][C@H]1CCC[C@H](C)C1 19962837 167386594 /nfs/dbraw/zinc/38/65/94/167386594.db2.gz AOYSOGYUEVGEOI-RYUDHWBXSA-N 1 0 199.338 2.581 50 0 AFAARO CCOCCC[NH2+][C@H]1CCCC[C@H]1C 19962821 167386658 /nfs/dbraw/zinc/38/66/58/167386658.db2.gz SJZNTXQJEUDLBX-NEPJUHHUSA-N 1 0 199.338 2.581 50 0 AFAARO CCOCCC[NH2+][C@@H]1CCCC[C@H]1C 19962819 167386764 /nfs/dbraw/zinc/38/67/64/167386764.db2.gz SJZNTXQJEUDLBX-VXGBXAGGSA-N 1 0 199.338 2.581 50 0 AFAARO CCOCCC[NH2+]C1CCC(C)CC1 2499154 167386947 /nfs/dbraw/zinc/38/69/47/167386947.db2.gz JUXCKQZNRKLJIS-UHFFFAOYSA-N 1 0 199.338 2.581 50 0 AFAARO CCOCC[NH2+]C1CCC(CC)CC1 36228641 167388155 /nfs/dbraw/zinc/38/81/55/167388155.db2.gz ALXIADMKGZLMJN-UHFFFAOYSA-N 1 0 199.338 2.581 50 0 AFAARO CCOCC[NH2+][C@@H](C)C1CCCCC1 37269168 167388302 /nfs/dbraw/zinc/38/83/02/167388302.db2.gz LIPPNKDCEPGFPD-NSHDSACASA-N 1 0 199.338 2.581 50 0 AFAARO CCOCC[NH2+][C@H](C)C1CCCCC1 37269170 167390851 /nfs/dbraw/zinc/39/08/51/167390851.db2.gz LIPPNKDCEPGFPD-LLVKDONJSA-N 1 0 199.338 2.581 50 0 AFAARO CCOP(OCC)[NH+](CC)CC 1445004 167399635 /nfs/dbraw/zinc/39/96/35/167399635.db2.gz UHRWQVZMGFDNCG-UHFFFAOYSA-N 1 0 193.227 2.628 50 0 AFAARO CCSc1ccc([C@H](C)[NH3+])cc1 3705657 167437740 /nfs/dbraw/zinc/43/77/40/167437740.db2.gz JPVWEKHGATUZRP-QMMMGPOBSA-N 1 0 181.304 2.818 50 0 in-vitro AFAARO CC[C@@H](C)C1CCC([NH3+])CC1 85210585 167450286 /nfs/dbraw/zinc/45/02/86/167450286.db2.gz PVQLHUCSNDRLDP-XNWIYYODSA-N 1 0 155.285 2.550 50 0 AFAARO CC[C@@H](C)[NH+]1CCC(C)CC1 15442183 167463832 /nfs/dbraw/zinc/46/38/32/167463832.db2.gz ILNCSBVBXKVVDN-SNVBAGLBSA-N 1 0 155.285 2.517 50 0 AFAARO CC[C@@H](C)[NH2+]CCc1ccccc1 2027695 167474206 /nfs/dbraw/zinc/47/42/06/167474206.db2.gz QQANEHTZDNVRFU-LLVKDONJSA-N 1 0 177.291 2.617 50 0 AFAARO CC[C@@H](C)[NH2+]Cc1ccc(F)cc1 5907278 167476003 /nfs/dbraw/zinc/47/60/03/167476003.db2.gz ZDIMCFHGMAHYSX-SECBINFHSA-N 1 0 181.254 2.714 50 0 AFAARO CC[C@@H](C)[NH2+]Cc1ccccc1 1671646 167476326 /nfs/dbraw/zinc/47/63/26/167476326.db2.gz CVBZQAJYUZEPMC-SNVBAGLBSA-N 1 0 163.264 2.575 50 0 in-vitro AFAARO CC[C@@H](C)[NH2+]Cc1cccc(F)c1 19881860 167476738 /nfs/dbraw/zinc/47/67/38/167476738.db2.gz YXTBARWCBNIGDM-SECBINFHSA-N 1 0 181.254 2.714 50 0 AFAARO CC[C@@H](C)[NH2+]Cc1ccc(C)s1 5907290 167477241 /nfs/dbraw/zinc/47/72/41/167477241.db2.gz MDCNRQVLVQOPJQ-MRVPVSSYSA-N 1 0 183.320 2.945 50 0 AFAARO CC[C@@H](C)[NH2+]Cc1ccsc1 7525009 167477480 /nfs/dbraw/zinc/47/74/80/167477480.db2.gz PGSGIQWHDMIDHW-MRVPVSSYSA-N 1 0 169.293 2.636 50 0 in-vitro AFAARO CC[C@@H](C)Oc1cc(C)ccc1C[NH3+] 51581225 167482305 /nfs/dbraw/zinc/48/23/05/167482305.db2.gz HWAGRBFAABXCQC-SNVBAGLBSA-N 1 0 193.290 2.631 50 0 in-vitro AFAARO CC[C@@H]([NH3+])C(C)(C)c1ccccc1 62773193 167518380 /nfs/dbraw/zinc/51/83/80/167518380.db2.gz QAANWISRRVHSLH-LLVKDONJSA-N 1 0 177.291 2.702 50 0 in-vitro AFAARO CC[C@@H]([NH3+])CSc1ccccc1 58035696 167524176 /nfs/dbraw/zinc/52/41/76/167524176.db2.gz YEELLYVNKHEHJV-SECBINFHSA-N 1 0 181.304 2.516 50 0 in-vitro AFAARO CC[C@@H]([NH3+])c1ccc(C)c(F)c1 37396353 167525961 /nfs/dbraw/zinc/52/59/61/167525961.db2.gz HIHAUZOLSWSRRN-SNVBAGLBSA-N 1 0 167.227 2.544 50 0 in-vitro AFAARO CC[C@@H]([NH3+])c1ccccc1OC(C)C 22222140 167528805 /nfs/dbraw/zinc/52/88/05/167528805.db2.gz XTHVEYUDDDARPP-LLVKDONJSA-N 1 0 193.290 2.884 50 0 AFAARO CC[C@@H](c1ccccc1)[C@@H]1CCC[NH2+]1 3732318 167542917 /nfs/dbraw/zinc/54/29/17/167542917.db2.gz LISOICDQKSFEOD-STQMWFEESA-N 1 0 189.302 2.932 50 0 in-vitro AFAARO CC[C@@H](c1ccccc1)[C@H]1CCC[NH2+]1 3732316 167543411 /nfs/dbraw/zinc/54/34/11/167543411.db2.gz LISOICDQKSFEOD-QWHCGFSZSA-N 1 0 189.302 2.932 50 0 in-vitro AFAARO CC[C@@H]1C[NH2+]CC[C@H]1c1ccccc1 71790844 167563157 /nfs/dbraw/zinc/56/31/57/167563157.db2.gz HJLMDBFLDGLUCM-DGCLKSJQSA-N 1 0 189.302 2.790 50 0 AFAARO CC[C@@H]1[NH2+]CCc2cc(F)c(F)cc21 83621497 167570158 /nfs/dbraw/zinc/57/01/58/167570158.db2.gz JOZKZLOAWZMSPD-NSHDSACASA-N 1 0 197.228 2.562 50 0 AFAARO CC[C@@H]1[NH2+]CC[C@H]1c1ccc(C)cc1 51954523 167570184 /nfs/dbraw/zinc/57/01/84/167570184.db2.gz KYIWPQXKLVGLKP-STQMWFEESA-N 1 0 189.302 2.851 50 0 in-vitro AFAARO CC[C@@H]1[NH2+]CC[C@@H]1c1ccc(C)cc1 51954527 167570711 /nfs/dbraw/zinc/57/07/11/167570711.db2.gz KYIWPQXKLVGLKP-OLZOCXBDSA-N 1 0 189.302 2.851 50 0 in-vitro AFAARO CC[C@H](C)C1CCC([NH3+])CC1 85210586 167597642 /nfs/dbraw/zinc/59/76/42/167597642.db2.gz PVQLHUCSNDRLDP-IDKOKCKLSA-N 1 0 155.285 2.550 50 0 AFAARO CC[C@H](C)C[NH2+]Cc1ccc(F)cc1 20090620 167602521 /nfs/dbraw/zinc/60/25/21/167602521.db2.gz JMMNOCIRZDAMNU-JTQLQIEISA-N 1 0 195.281 2.961 50 0 AFAARO CC[C@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 19881927 167617880 /nfs/dbraw/zinc/61/78/80/167617880.db2.gz GOYUMCHHLHUILB-VWYCJHECSA-N 1 0 169.312 2.953 50 0 AFAARO CC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1 19881925 167618891 /nfs/dbraw/zinc/61/88/91/167618891.db2.gz GOYUMCHHLHUILB-OUAUKWLOSA-N 1 0 169.312 2.953 50 0 AFAARO CC[C@H](C)[C@@H](C)[NH2+]C1CCCC1 20085981 167627199 /nfs/dbraw/zinc/62/71/99/167627199.db2.gz LTAUULSBBMCGOE-VHSXEESVSA-N 1 0 169.312 2.953 50 0 AFAARO CC[C@H]([NH3+])C(C)(C)c1ccccc1 62773192 167653879 /nfs/dbraw/zinc/65/38/79/167653879.db2.gz QAANWISRRVHSLH-NSHDSACASA-N 1 0 177.291 2.702 50 0 in-vitro AFAARO CC[C@H]([NH3+])c1ccccc1Cl 38078505 167660913 /nfs/dbraw/zinc/66/09/13/167660913.db2.gz DSVIGDPJWCJAHL-VIFPVBQESA-N 1 0 169.655 2.750 50 0 in-vitro AFAARO CC[C@H]([NH3+])c1ccccc1OC(C)C 22222142 167661517 /nfs/dbraw/zinc/66/15/17/167661517.db2.gz XTHVEYUDDDARPP-NSHDSACASA-N 1 0 193.290 2.884 50 0 AFAARO CC[C@H]([NH3+])c1ccc(Cl)cc1 9245963 167661649 /nfs/dbraw/zinc/66/16/49/167661649.db2.gz JAVXFKQNRRUYMG-VIFPVBQESA-N 1 0 169.655 2.750 50 0 in-vitro AFAARO CC[C@H](c1ccccc1)[C@@H]1CCC[NH2+]1 3732319 167672443 /nfs/dbraw/zinc/67/24/43/167672443.db2.gz LISOICDQKSFEOD-OLZOCXBDSA-N 1 0 189.302 2.932 50 0 in-vitro AFAARO CC[C@H]1C[C@]1([NH3+])c1ccc(Cl)cc1 86202223 167697413 /nfs/dbraw/zinc/69/74/13/167697413.db2.gz FCGRPVQZGCPWAA-GZMMTYOYSA-N 1 0 195.693 2.924 50 0 in-vitro AFAARO CCc1c(C)[nH+]c2ccccc2c1N 50868595 167720919 /nfs/dbraw/zinc/72/09/19/167720919.db2.gz HWKKWPIMYWGJBS-UHFFFAOYSA-N 1 0 186.258 2.688 50 0 in-vitro AFAARO CCc1cc2ccccc2c[n+]1CC 984324 167730075 /nfs/dbraw/zinc/73/00/75/167730075.db2.gz TWSMNXKCKDPAEY-UHFFFAOYSA-N 1 0 186.278 2.710 50 0 AFAARO CCc1ccc([C@@H]([NH3+])C(C)C)cc1 4206613 167740669 /nfs/dbraw/zinc/74/06/69/167740669.db2.gz AZZNVHCGSSIBSF-LBPRGKRZSA-N 1 0 177.291 2.905 50 0 in-vitro AFAARO CCc1ccc([C@@H]2CCC[NH2+]2)cc1 3732376 167742710 /nfs/dbraw/zinc/74/27/10/167742710.db2.gz IBPIAQWYWUWFPS-LBPRGKRZSA-N 1 0 175.275 2.674 50 0 AFAARO CCc1ccc([C@@H]2CCC[NH2+]C2)cc1 49806496 167742909 /nfs/dbraw/zinc/74/29/09/167742909.db2.gz GHXBUCHGBFFXJV-CYBMUJFWSA-N 1 0 189.302 2.716 50 0 in-vitro AFAARO CCc1ccc([C@H]2CCC[NH2+]C2)cc1 49806497 167744433 /nfs/dbraw/zinc/74/44/33/167744433.db2.gz GHXBUCHGBFFXJV-ZDUSSCGKSA-N 1 0 189.302 2.716 50 0 in-vitro AFAARO CCc1oc2ccccc2c1C[NH2+]C 4218598 167791972 /nfs/dbraw/zinc/79/19/72/167791972.db2.gz WSXGLBZFVZWEQP-UHFFFAOYSA-N 1 0 189.258 2.715 50 0 in-vitro AFAARO CCc1sc([C@@H](C)[NH3+])cc1C 83254997 167794593 /nfs/dbraw/zinc/79/45/93/167794593.db2.gz YNLKXFLDVCEWTJ-SSDOTTSWSA-N 1 0 169.293 2.639 50 0 in-vitro AFAARO C[NH+](C)Cc1cccc2ccccc12 1662344 167845294 /nfs/dbraw/zinc/84/52/94/167845294.db2.gz PTKSORMJFKONON-UHFFFAOYSA-N 1 0 185.270 2.901 50 0 in-vitro AFAARO C[NH+](C1CCCC1)C1CCCC1 1574336 167860409 /nfs/dbraw/zinc/86/04/09/167860409.db2.gz JNMBQGIZTCTCRT-UHFFFAOYSA-N 1 0 167.296 2.803 50 0 AFAARO C[NH+]([Si](C)(C)C)[Si](C)(C)C 169747122 167893473 /nfs/dbraw/zinc/89/34/73/167893473.db2.gz ZSMNRKGGHXLZEC-UHFFFAOYSA-N 1 0 175.424 2.588 50 0 AFAARO C[NH+]1CCC(C2CCCCC2)CC1 60313642 167900508 /nfs/dbraw/zinc/90/05/08/167900508.db2.gz IVOZNJHNDZFUGZ-UHFFFAOYSA-N 1 0 181.323 2.909 50 0 AFAARO C[NH2+]C1(Cc2ccccc2)CCCC1 3621197 167981577 /nfs/dbraw/zinc/98/15/77/167981577.db2.gz ZFAGGXZFXYOEDA-UHFFFAOYSA-N 1 0 189.302 2.761 50 0 in-vitro AFAARO C[NH2+]C1CCC(c2ccccc2)CC1 21968685 167983333 /nfs/dbraw/zinc/98/33/33/167983333.db2.gz LPEIUXZTEWKLKI-UHFFFAOYSA-N 1 0 189.302 2.932 50 0 in-vitro AFAARO C[NH2+]CC1(c2ccccc2)CCCC1 4501759 167990974 /nfs/dbraw/zinc/99/09/74/167990974.db2.gz WZDURQDKDJMXOT-UHFFFAOYSA-N 1 0 189.302 2.718 50 0 AFAARO C[NH2+]CCCC1CCCCC1 15222821 167991676 /nfs/dbraw/zinc/99/16/76/167991676.db2.gz IILRAHSGEUAOTG-UHFFFAOYSA-N 1 0 155.285 2.566 50 0 AFAARO C[NH2+]CCC12CC3CC(CC(C3)C1)C2 5700540 167991772 /nfs/dbraw/zinc/99/17/72/167991772.db2.gz QPHKFMOPPHRCKW-UHFFFAOYSA-N 1 0 193.334 2.812 50 0 in-vitro AFAARO C[NH2+]CCc1ccc(C(C)C)cc1 40447861 168001613 /nfs/dbraw/zinc/00/16/13/168001613.db2.gz PUXGNVRZDBHNCU-UHFFFAOYSA-N 1 0 177.291 2.572 50 0 AFAARO C[NH2+]CCc1cccc2ccccc12 34407481 168002314 /nfs/dbraw/zinc/00/23/14/168002314.db2.gz YGXDJFKCOBYLFG-UHFFFAOYSA-N 1 0 185.270 2.602 50 0 in-vitro AFAARO C[NH2+]C[C@@]1(c2ccccc2)CC1(C)C 19088142 168008650 /nfs/dbraw/zinc/00/86/50/168008650.db2.gz ZLYQUZYIAHGRFO-CYBMUJFWSA-N 1 0 189.302 2.574 50 0 in-vitro AFAARO C[NH2+]C[C@]1(c2ccccc2)CC1(C)C 19088145 168013993 /nfs/dbraw/zinc/01/39/93/168013993.db2.gz ZLYQUZYIAHGRFO-ZDUSSCGKSA-N 1 0 189.302 2.574 50 0 in-vitro AFAARO C[NH2+]Cc1cc(Cl)ccc1Cl 6481829 168015535 /nfs/dbraw/zinc/01/55/35/168015535.db2.gz MBWHXHJPISASFP-UHFFFAOYSA-N 1 0 190.073 2.713 50 0 AFAARO C[NH2+]Cc1c(Cl)cccc1Cl 576121 168015953 /nfs/dbraw/zinc/01/59/53/168015953.db2.gz FPHGYJYIACPGRK-UHFFFAOYSA-N 1 0 190.073 2.713 50 0 in-vitro AFAARO C[NH2+]Cc1cc2cc(Cl)ccc2[nH]1 16941580 168016468 /nfs/dbraw/zinc/01/64/68/168016468.db2.gz RKYNDIWOXRAAEJ-UHFFFAOYSA-N 1 0 194.665 2.541 50 0 in-vitro AFAARO C[NH2+]Cc1cc(Cl)cc(Cl)c1 2557121 168016577 /nfs/dbraw/zinc/01/65/77/168016577.db2.gz SSTJQZMMDIIKBR-UHFFFAOYSA-N 1 0 190.073 2.713 50 0 in-vitro AFAARO C[NH2+]Cc1cc2ccccc2s1 64947 168016901 /nfs/dbraw/zinc/01/69/01/168016901.db2.gz FKHVKIIMXLUFHI-UHFFFAOYSA-N 1 0 177.272 2.621 50 0 in-vitro AFAARO C[NH2+]Cc1c(Cl)[nH]c2ccccc12 40447865 168017289 /nfs/dbraw/zinc/01/72/89/168017289.db2.gz PNSYICKPXVZBPI-UHFFFAOYSA-N 1 0 194.665 2.541 50 0 AFAARO C[NH2+]Cc1ccc2ccccc2c1 3454506 168017506 /nfs/dbraw/zinc/01/75/06/168017506.db2.gz SSNISTUBYRMYDY-UHFFFAOYSA-N 1 0 171.243 2.559 50 0 in-vitro AFAARO C[NH2+]Cc1ccc(CC(C)C)cc1 58519164 168017569 /nfs/dbraw/zinc/01/75/69/168017569.db2.gz SHMOJQNCCOXHIB-UHFFFAOYSA-N 1 0 177.291 2.605 50 0 AFAARO C[NH2+]Cc1ccc(-c2ccccc2)o1 7524213 168017618 /nfs/dbraw/zinc/01/76/18/168017618.db2.gz GKNVNWDSVYIKJR-UHFFFAOYSA-N 1 0 187.242 2.666 50 0 AFAARO C[NH2+]Cc1ccc(Cl)c(Cl)c1 2170324 168017770 /nfs/dbraw/zinc/01/77/70/168017770.db2.gz XOEHPEYVNJXYEN-UHFFFAOYSA-N 1 0 190.073 2.713 50 0 in-vitro AFAARO C[NH2+]Cc1cccc(Cl)c1Cl 2533933 168017962 /nfs/dbraw/zinc/01/79/62/168017962.db2.gz GPHWXLUNCPECQB-UHFFFAOYSA-N 1 0 190.073 2.713 50 0 in-vitro AFAARO C[NH2+]Cc1ccc(C(C)C)cc1F 72233252 168018115 /nfs/dbraw/zinc/01/81/15/168018115.db2.gz ILJVUPRQFACFNS-UHFFFAOYSA-N 1 0 181.254 2.669 50 0 AFAARO C[NH2+]Cc1ccc(C(C)(C)C)cc1 3281392 168018456 /nfs/dbraw/zinc/01/84/56/168018456.db2.gz ZSHCHOYJMLEAOX-UHFFFAOYSA-N 1 0 177.291 2.704 50 0 AFAARO C[NH2+]Cc1ccc(-c2ccco2)cc1 5177625 168018592 /nfs/dbraw/zinc/01/85/92/168018592.db2.gz QJHXIMBULPYCDO-UHFFFAOYSA-N 1 0 187.242 2.666 50 0 in-vitro AFAARO C[NH2+]Cc1ccc(C(C)C)cc1 3293369 168018951 /nfs/dbraw/zinc/01/89/51/168018951.db2.gz CILOGGDIZJTYHI-UHFFFAOYSA-N 1 0 163.264 2.529 50 0 AFAARO C[NH2+]Cc1ccc(Cl)cc1Cl 2168855 168019040 /nfs/dbraw/zinc/01/90/40/168019040.db2.gz GUJXWKXDISDARD-UHFFFAOYSA-N 1 0 190.073 2.713 50 0 in-vitro AFAARO C[NH2+]Cc1ccccc1C(C)C 82667889 168019547 /nfs/dbraw/zinc/01/95/47/168019547.db2.gz HIMRJOYYTNSYQV-UHFFFAOYSA-N 1 0 163.264 2.529 50 0 AFAARO C[NH2+]Cc1cccc2ccccc12 1671536 168020186 /nfs/dbraw/zinc/02/01/86/168020186.db2.gz MQRIUFVBEVFILS-UHFFFAOYSA-N 1 0 171.243 2.559 50 0 in-vitro AFAARO C[NH2+]Cc1ccccc1-c1ccco1 12370321 168020519 /nfs/dbraw/zinc/02/05/19/168020519.db2.gz RUKIFCJFFHXQAQ-UHFFFAOYSA-N 1 0 187.242 2.666 50 0 AFAARO C[NH2+]Cc1csc2ccccc12 32627954 168021831 /nfs/dbraw/zinc/02/18/31/168021831.db2.gz YVCORDOYWODTNX-UHFFFAOYSA-N 1 0 177.272 2.621 50 0 in-vitro AFAARO C[NH2+]Cc1oc2c(C)cccc2c1C 77068488 168026470 /nfs/dbraw/zinc/02/64/70/168026470.db2.gz MTVNXYQBRLQDOU-UHFFFAOYSA-N 1 0 189.258 2.769 50 0 AFAARO C[NH2+][C@@H](C)CC1CCCCC1 1481910 168029624 /nfs/dbraw/zinc/02/96/24/168029624.db2.gz JCRIVQIOJSSCQD-VIFPVBQESA-N 1 0 155.285 2.565 50 0 fda AFAARO C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 22146194 168030747 /nfs/dbraw/zinc/03/07/47/168030747.db2.gz YTBGOGYBXOBGEC-TWJXAIAZSA-N 1 0 193.334 2.811 50 0 in-vitro AFAARO C[NH2+][C@@H](C)Cc1ccc2occc2c1 96024599 168031869 /nfs/dbraw/zinc/03/18/69/168031869.db2.gz ZOVRTIPCNFERHY-VIFPVBQESA-N 1 0 189.258 2.583 50 0 in-vitro AFAARO C[NH2+][C@@H](C)c1ccccc1Cl 22169204 168033818 /nfs/dbraw/zinc/03/38/18/168033818.db2.gz UEVNECVWVMFIRG-ZETCQYMHSA-N 1 0 169.655 2.620 50 0 AFAARO C[NH2+][C@@H](C)c1cc2ccccc2o1 12778463 168034242 /nfs/dbraw/zinc/03/42/42/168034242.db2.gz JLKRQCDKFNFEIQ-QMMMGPOBSA-N 1 0 175.231 2.713 50 0 in-vitro AFAARO C[NH2+][C@@H](C)c1sc(C(C)C)nc1C 40994285 168034496 /nfs/dbraw/zinc/03/44/96/168034496.db2.gz CVDRFFDIOJTHQW-ZETCQYMHSA-N 1 0 198.335 2.855 50 0 in-vitro AFAARO C[NH2+][C@@H](C)c1cc(C)ccc1C 20264091 168034737 /nfs/dbraw/zinc/03/47/37/168034737.db2.gz CLRVCFPXUGBNQC-JTQLQIEISA-N 1 0 163.264 2.584 50 0 in-vitro AFAARO C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 3709626 168034843 /nfs/dbraw/zinc/03/48/43/168034843.db2.gz PIAFADYVAOZLHS-ZETCQYMHSA-N 1 0 198.335 2.721 50 0 AFAARO C[NH2+][C@@H](C)c1ccc(C)cc1C 22145589 168034903 /nfs/dbraw/zinc/03/49/03/168034903.db2.gz XTNFDYBRUMIEEW-JTQLQIEISA-N 1 0 163.264 2.584 50 0 in-vitro AFAARO C[NH2+][C@@H](C)c1nc2ccccc2s1 4206577 168035033 /nfs/dbraw/zinc/03/50/33/168035033.db2.gz DHWUMSIEDZZPHJ-ZETCQYMHSA-N 1 0 192.287 2.577 50 0 in-vitro AFAARO C[NH2+][C@@H](C)c1cccc(Cl)c1 22218384 168035505 /nfs/dbraw/zinc/03/55/05/168035505.db2.gz IYUOJXAYGDGASL-ZETCQYMHSA-N 1 0 169.655 2.620 50 0 AFAARO C[NH2+][C@@H](C)c1ccc(Cl)cc1 2573240 168035802 /nfs/dbraw/zinc/03/58/02/168035802.db2.gz ZTHCGUAPWQKOPA-ZETCQYMHSA-N 1 0 169.655 2.620 50 0 in-vitro AFAARO C[NH2+][C@@H](c1ccccc1)C(C)C 35117345 168038131 /nfs/dbraw/zinc/03/81/31/168038131.db2.gz JWEORWDKFFDSLK-LLVKDONJSA-N 1 0 163.264 2.603 50 0 in-vitro AFAARO C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C 5235728 168038451 /nfs/dbraw/zinc/03/84/51/168038451.db2.gz OIBFSMQALQAMKJ-GFCCVEGCSA-N 1 0 193.290 2.612 50 0 in-vitro AFAARO C[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C 37467894 168038745 /nfs/dbraw/zinc/03/87/45/168038745.db2.gz DEWJBBAPGXIXNI-LBPRGKRZSA-N 1 0 195.281 2.612 50 0 in-vitro AFAARO C[NH2+][C@@H](c1ccc(F)cc1)C(C)C 35117353 168039039 /nfs/dbraw/zinc/03/90/39/168039039.db2.gz WKCRJNJONNNPMZ-LLVKDONJSA-N 1 0 181.254 2.742 50 0 in-vitro AFAARO C[NH2+][C@@H](c1ccccc1C)C(C)C 37468295 168039515 /nfs/dbraw/zinc/03/95/15/168039515.db2.gz LBDFWZDQEYNLGK-GFCCVEGCSA-N 1 0 177.291 2.912 50 0 in-vitro AFAARO C[NH2+][C@@H]1CCC[C@H]1c1ccc(C)cc1 60715946 168040339 /nfs/dbraw/zinc/04/03/39/168040339.db2.gz GZYLTDDKXDHLRT-QWHCGFSZSA-N 1 0 189.302 2.851 50 0 in-vitro AFAARO C[NH2+][C@@H]1CCC[C@@H]1c1ccc(C)cc1 60715949 168040663 /nfs/dbraw/zinc/04/06/63/168040663.db2.gz GZYLTDDKXDHLRT-CHWSQXEVSA-N 1 0 189.302 2.851 50 0 in-vitro AFAARO C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 60715908 168041221 /nfs/dbraw/zinc/04/12/21/168041221.db2.gz JSVNXKJFTDTWRE-VXGBXAGGSA-N 1 0 175.275 2.542 50 0 AFAARO C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 60715911 168041840 /nfs/dbraw/zinc/04/18/40/168041840.db2.gz JSVNXKJFTDTWRE-NWDGAFQWSA-N 1 0 175.275 2.542 50 0 AFAARO C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 37414294 168041928 /nfs/dbraw/zinc/04/19/28/168041928.db2.gz MEBMVSVBSGKFAK-CHWSQXEVSA-N 1 0 189.302 2.932 50 0 AFAARO C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 37414298 168041941 /nfs/dbraw/zinc/04/19/41/168041941.db2.gz MEBMVSVBSGKFAK-QWHCGFSZSA-N 1 0 189.302 2.932 50 0 AFAARO C[NH2+][C@@]12C[C@@H]3C[C@@](C)(C[C@@](C)(C3)C1)C2 101315751 168047826 /nfs/dbraw/zinc/04/78/26/168047826.db2.gz FQPYRWAIWQNTFQ-WNGYAQOMSA-N 1 0 193.334 2.955 50 0 AFAARO C[NH2+][C@H](C)CC1CCCCC1 1482094 168048462 /nfs/dbraw/zinc/04/84/62/168048462.db2.gz JCRIVQIOJSSCQD-SECBINFHSA-N 1 0 155.285 2.565 50 0 fda AFAARO C[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 22146199 168049205 /nfs/dbraw/zinc/04/92/05/168049205.db2.gz YTBGOGYBXOBGEC-HIVKSXORSA-N 1 0 193.334 2.811 50 0 in-vitro AFAARO C[NH2+][C@H](C)Cc1ccc2occc2c1 96024601 168050267 /nfs/dbraw/zinc/05/02/67/168050267.db2.gz ZOVRTIPCNFERHY-SECBINFHSA-N 1 0 189.258 2.583 50 0 in-vitro AFAARO C[NH2+][C@H](C)c1ccc(Cl)cc1 12956849 168051370 /nfs/dbraw/zinc/05/13/70/168051370.db2.gz ZTHCGUAPWQKOPA-SSDOTTSWSA-N 1 0 169.655 2.620 50 0 in-vitro AFAARO C[NH2+][C@H](C)c1cccc(Cl)c1 22218387 168051505 /nfs/dbraw/zinc/05/15/05/168051505.db2.gz IYUOJXAYGDGASL-SSDOTTSWSA-N 1 0 169.655 2.620 50 0 AFAARO C[NH2+][C@H](C)c1sc(C(C)C)nc1C 40994283 168051550 /nfs/dbraw/zinc/05/15/50/168051550.db2.gz CVDRFFDIOJTHQW-SSDOTTSWSA-N 1 0 198.335 2.855 50 0 in-vitro AFAARO C[NH2+][C@H](C)c1ccc(C)cc1C 22145592 168052072 /nfs/dbraw/zinc/05/20/72/168052072.db2.gz XTNFDYBRUMIEEW-SNVBAGLBSA-N 1 0 163.264 2.584 50 0 in-vitro AFAARO C[NH2+][C@H](C)c1ccccc1Cl 22169207 168052226 /nfs/dbraw/zinc/05/22/26/168052226.db2.gz UEVNECVWVMFIRG-SSDOTTSWSA-N 1 0 169.655 2.620 50 0 AFAARO C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 3709627 168052274 /nfs/dbraw/zinc/05/22/74/168052274.db2.gz PIAFADYVAOZLHS-SSDOTTSWSA-N 1 0 198.335 2.721 50 0 AFAARO C[NH2+][C@H](C)c1cc(C)ccc1C 20264093 168052541 /nfs/dbraw/zinc/05/25/41/168052541.db2.gz CLRVCFPXUGBNQC-SNVBAGLBSA-N 1 0 163.264 2.584 50 0 in-vitro AFAARO C[NH2+][C@H](C)c1nc2ccccc2s1 4206578 168052589 /nfs/dbraw/zinc/05/25/89/168052589.db2.gz DHWUMSIEDZZPHJ-SSDOTTSWSA-N 1 0 192.287 2.577 50 0 in-vitro AFAARO C[NH2+][C@H](C)c1cc2ccccc2o1 12778466 168052864 /nfs/dbraw/zinc/05/28/64/168052864.db2.gz JLKRQCDKFNFEIQ-MRVPVSSYSA-N 1 0 175.231 2.713 50 0 in-vitro AFAARO C[NH2+][C@H](Cc1ccc(F)cc1)C(C)C 37467892 168053876 /nfs/dbraw/zinc/05/38/76/168053876.db2.gz DEWJBBAPGXIXNI-GFCCVEGCSA-N 1 0 195.281 2.612 50 0 in-vitro AFAARO C[NH2+][C@H](c1ccccc1C)C(C)C 37468297 168055298 /nfs/dbraw/zinc/05/52/98/168055298.db2.gz LBDFWZDQEYNLGK-LBPRGKRZSA-N 1 0 177.291 2.912 50 0 in-vitro AFAARO C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 37414296 168055442 /nfs/dbraw/zinc/05/54/42/168055442.db2.gz MEBMVSVBSGKFAK-OLZOCXBDSA-N 1 0 189.302 2.932 50 0 AFAARO C[NH2+][C@H](c1ccccc1)C(C)C 35117343 168055702 /nfs/dbraw/zinc/05/57/02/168055702.db2.gz JWEORWDKFFDSLK-NSHDSACASA-N 1 0 163.264 2.603 50 0 in-vitro AFAARO C[NH2+][C@H](c1ccc(F)cc1)C(C)C 35117351 168055776 /nfs/dbraw/zinc/05/57/76/168055776.db2.gz WKCRJNJONNNPMZ-NSHDSACASA-N 1 0 181.254 2.742 50 0 in-vitro AFAARO C[NH2+][C@H](c1ccc(OC)cc1)C(C)C 5235727 168056318 /nfs/dbraw/zinc/05/63/18/168056318.db2.gz OIBFSMQALQAMKJ-LBPRGKRZSA-N 1 0 193.290 2.612 50 0 in-vitro AFAARO C[NH2+][C@H]1CCC[C@@H]1c1ccc(C)cc1 60715942 168057016 /nfs/dbraw/zinc/05/70/16/168057016.db2.gz GZYLTDDKXDHLRT-OLZOCXBDSA-N 1 0 189.302 2.851 50 0 in-vitro AFAARO C[NH2+][C@H]1CCC[C@H]1c1ccccc1 60715913 168057098 /nfs/dbraw/zinc/05/70/98/168057098.db2.gz JSVNXKJFTDTWRE-RYUDHWBXSA-N 1 0 175.275 2.542 50 0 AFAARO C[NH2+][C@H]1CCC[C@H]1c1ccc(C)cc1 60715941 168057312 /nfs/dbraw/zinc/05/73/12/168057312.db2.gz GZYLTDDKXDHLRT-STQMWFEESA-N 1 0 189.302 2.851 50 0 in-vitro AFAARO C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 60715910 168057498 /nfs/dbraw/zinc/05/74/98/168057498.db2.gz JSVNXKJFTDTWRE-NEPJUHHUSA-N 1 0 175.275 2.542 50 0 AFAARO C[NH2+][C@H]1CCCC[C@H]1c1ccccc1 37414300 168057557 /nfs/dbraw/zinc/05/75/57/168057557.db2.gz MEBMVSVBSGKFAK-STQMWFEESA-N 1 0 189.302 2.932 50 0 AFAARO C[NH2+][C@H]1CC[C@@H](c2ccccc2)CC1 141232637 168060179 /nfs/dbraw/zinc/06/01/79/168060179.db2.gz LPEIUXZTEWKLKI-JOCQHMNTSA-N 1 0 189.302 2.932 50 0 AFAARO COC(=[NH2+])c1c(C)cc(C)cc1C 37928089 168076138 /nfs/dbraw/zinc/07/61/38/168076138.db2.gz XNIWAZSEBHCRMX-UHFFFAOYSA-N 1 0 177.247 2.584 50 0 AFAARO COC(C)(C)CCC[C@@H](C)CC[NH3+] 85391975 168138472 /nfs/dbraw/zinc/13/84/72/168138472.db2.gz FCNUVDFQQTZTBT-SNVBAGLBSA-N 1 0 187.327 2.567 50 0 AFAARO COC(C)(C)CCC[C@H](C)CC[NH3+] 85391971 168138737 /nfs/dbraw/zinc/13/87/37/168138737.db2.gz FCNUVDFQQTZTBT-JTQLQIEISA-N 1 0 187.327 2.567 50 0 AFAARO COCC/C=C/C[NH+](C(C)C)C(C)C 1568774 168150675 /nfs/dbraw/zinc/15/06/75/168150675.db2.gz UQJGQYQOMXDBTN-VOTSOKGWSA-N 1 0 199.338 2.698 50 0 AFAARO COC[C@@H](C)[NH2+][C@@H](C)C1CCCCC1 37196206 168180171 /nfs/dbraw/zinc/18/01/71/168180171.db2.gz MTMXGLPEIIYRKJ-MNOVXSKESA-N 1 0 199.338 2.580 50 0 AFAARO COC[C@@H](C)[NH2+]C1CCCCCCC1 3683453 168180352 /nfs/dbraw/zinc/18/03/52/168180352.db2.gz UGTXPBKYRLHNPY-LLVKDONJSA-N 1 0 199.338 2.724 50 0 AFAARO COC[C@@H](C)[NH2+][C@H](C)C1CCCCC1 37196208 168181879 /nfs/dbraw/zinc/18/18/79/168181879.db2.gz MTMXGLPEIIYRKJ-GHMZBOCLSA-N 1 0 199.338 2.580 50 0 AFAARO COC[C@H](C)[NH2+][C@@H](C)C1CCCCC1 37196205 168189489 /nfs/dbraw/zinc/18/94/89/168189489.db2.gz MTMXGLPEIIYRKJ-QWRGUYRKSA-N 1 0 199.338 2.580 50 0 AFAARO COC[C@H](C)[NH2+][C@H](C)C1CCCCC1 37196207 168189602 /nfs/dbraw/zinc/18/96/02/168189602.db2.gz MTMXGLPEIIYRKJ-WDEREUQCSA-N 1 0 199.338 2.580 50 0 AFAARO COC[C@H](C)[NH2+]C1CCCCCCC1 3683452 168190110 /nfs/dbraw/zinc/19/01/10/168190110.db2.gz UGTXPBKYRLHNPY-NSHDSACASA-N 1 0 199.338 2.724 50 0 AFAARO COP(OC)[NH+](C(C)C)C(C)C 2526322 168203312 /nfs/dbraw/zinc/20/33/12/168203312.db2.gz KXUMNSXPAYCKPR-UHFFFAOYSA-N 1 0 193.227 2.625 50 0 in-vitro AFAARO COc1cc(C)c(C[NH3+])cc1C(C)C 4988680 168231511 /nfs/dbraw/zinc/23/15/11/168231511.db2.gz JDSBHCQIHKTZAE-UHFFFAOYSA-N 1 0 193.290 2.586 50 0 AFAARO COc1ccc(C[NH2+]C(C)(C)C)cc1 4948241 168251666 /nfs/dbraw/zinc/25/16/66/168251666.db2.gz HJTHGDULOMBYOG-UHFFFAOYSA-N 1 0 193.290 2.583 50 0 in-vitro AFAARO COc1ccc(Cl)cc1[N+]#N 3861464 168252685 /nfs/dbraw/zinc/25/26/85/168252685.db2.gz VPBQZZUDIGHCEB-UHFFFAOYSA-N 1 0 169.591 2.833 50 0 AFAARO COc1ccc(Cl)cc1C(C)(C)[NH3+] 36157283 168253387 /nfs/dbraw/zinc/25/33/87/168253387.db2.gz KCXOYONLPCYFJS-UHFFFAOYSA-N 1 0 199.681 2.542 50 0 AFAARO COc1ccc([C@@H](C)[NH2+]C(C)C)cc1 19880604 168257228 /nfs/dbraw/zinc/25/72/28/168257228.db2.gz WJYKDBLLSUSAFI-SNVBAGLBSA-N 1 0 193.290 2.754 50 0 AFAARO COc1ccc([C@@H](C)[NH2+]C2CC2)cc1 22143940 168257303 /nfs/dbraw/zinc/25/73/03/168257303.db2.gz PXHJTFNYOXIMSN-SECBINFHSA-N 1 0 191.274 2.508 50 0 AFAARO COc1ccc([C@@H]([NH3+])CC(C)C)cc1 19414236 168258168 /nfs/dbraw/zinc/25/81/68/168258168.db2.gz FSHDLXLCSWJABP-LBPRGKRZSA-N 1 0 193.290 2.741 50 0 AFAARO COc1ccc([C@@H]2CCCC[NH2+]2)cc1 2556280 168258486 /nfs/dbraw/zinc/25/84/86/168258486.db2.gz PFEQGLKEECTHNQ-LBPRGKRZSA-N 1 0 191.274 2.510 50 0 in-vitro AFAARO COc1ccc([C@H](C)[NH2+]C(C)C)cc1 19880607 168259090 /nfs/dbraw/zinc/25/90/90/168259090.db2.gz WJYKDBLLSUSAFI-JTQLQIEISA-N 1 0 193.290 2.754 50 0 AFAARO COc1ccc([C@H]([NH3+])CC(C)C)cc1 19414238 168259355 /nfs/dbraw/zinc/25/93/55/168259355.db2.gz FSHDLXLCSWJABP-GFCCVEGCSA-N 1 0 193.290 2.741 50 0 AFAARO COc1ccc([C@H](C)[NH2+]C2CC2)cc1 22143943 168259585 /nfs/dbraw/zinc/25/95/85/168259585.db2.gz PXHJTFNYOXIMSN-VIFPVBQESA-N 1 0 191.274 2.508 50 0 AFAARO COc1ccc([C@H]2CCCC[NH2+]2)cc1 3122431 168259635 /nfs/dbraw/zinc/25/96/35/168259635.db2.gz PFEQGLKEECTHNQ-GFCCVEGCSA-N 1 0 191.274 2.510 50 0 in-vitro AFAARO COc1cccc(C[NH2+]C(C)(C)C)c1 6882575 168270113 /nfs/dbraw/zinc/27/01/13/168270113.db2.gz BAZYXMARGARHPJ-UHFFFAOYSA-N 1 0 193.290 2.583 50 0 in-vitro AFAARO COc1cccc([C@@H](C)[NH2+]C(C)C)c1 19880620 168270484 /nfs/dbraw/zinc/27/04/84/168270484.db2.gz JEYOZGDJYNIDOJ-SNVBAGLBSA-N 1 0 193.290 2.754 50 0 AFAARO COc1cccc([C@@H]([NH3+])C(C)(C)C)c1 37467022 168270560 /nfs/dbraw/zinc/27/05/60/168270560.db2.gz HXAMELDWELSLFF-LLVKDONJSA-N 1 0 193.290 2.741 50 0 AFAARO COc1cccc([C@@H](C)[NH2+]C2CC2)c1 21957494 168271394 /nfs/dbraw/zinc/27/13/94/168271394.db2.gz MWQMHNNIPNCATC-SECBINFHSA-N 1 0 191.274 2.508 50 0 AFAARO COc1cccc([C@@H]2CCCC[NH2+]2)c1 2577422 168271685 /nfs/dbraw/zinc/27/16/85/168271685.db2.gz ZGWPCADYBFMCJT-LBPRGKRZSA-N 1 0 191.274 2.510 50 0 in-vitro AFAARO COc1cccc([C@H]([NH3+])C(C)(C)C)c1 37467025 168272350 /nfs/dbraw/zinc/27/23/50/168272350.db2.gz HXAMELDWELSLFF-NSHDSACASA-N 1 0 193.290 2.741 50 0 AFAARO COc1cccc([C@H](C)[NH2+]C2CC2)c1 21957498 168272547 /nfs/dbraw/zinc/27/25/47/168272547.db2.gz MWQMHNNIPNCATC-VIFPVBQESA-N 1 0 191.274 2.508 50 0 AFAARO COc1cccc([C@H](C)[NH2+]C(C)C)c1 19880622 168272736 /nfs/dbraw/zinc/27/27/36/168272736.db2.gz JEYOZGDJYNIDOJ-JTQLQIEISA-N 1 0 193.290 2.754 50 0 AFAARO COc1cccc([C@H]2CCCC[NH2+]2)c1 3734460 168272743 /nfs/dbraw/zinc/27/27/43/168272743.db2.gz ZGWPCADYBFMCJT-GFCCVEGCSA-N 1 0 191.274 2.510 50 0 in-vitro AFAARO COc1ccccc1[C@H]([NH3+])CC(C)C 32008794 168277487 /nfs/dbraw/zinc/27/74/87/168277487.db2.gz YQKCPHZYWZWJJD-LLVKDONJSA-N 1 0 193.290 2.741 50 0 in-vitro AFAARO COc1ccccc1[C@H](C)[NH2+]C1CC1 21957407 168277509 /nfs/dbraw/zinc/27/75/09/168277509.db2.gz WRGOQOLXFHISBO-VIFPVBQESA-N 1 0 191.274 2.508 50 0 AFAARO COc1ccccc1[C@H]([NH3+])C(C)(C)C 37467050 168277905 /nfs/dbraw/zinc/27/79/05/168277905.db2.gz PXIJCAOLUOHTES-NSHDSACASA-N 1 0 193.290 2.741 50 0 in-vitro AFAARO COc1ccccc1[C@H](C)[NH2+]C(C)C 19880524 168278036 /nfs/dbraw/zinc/27/80/36/168278036.db2.gz DNWPQWIXIGSMDC-JTQLQIEISA-N 1 0 193.290 2.754 50 0 AFAARO COc1ccccc1[C@H]1CCCC[NH2+]1 3734424 168278533 /nfs/dbraw/zinc/27/85/33/168278533.db2.gz ZZBFEVGWWXDHPT-LLVKDONJSA-N 1 0 191.274 2.510 50 0 in-vitro AFAARO C[PH+](C)C(C)(C)C 59044524 168290725 /nfs/dbraw/zinc/29/07/25/168290725.db2.gz ZBTYGZQHPMJJFS-UHFFFAOYSA-N 1 0 118.160 2.526 50 0 AFAARO CSc1ccc(C[NH2+]C2CC2)cc1 360583 168311422 /nfs/dbraw/zinc/31/14/22/168311422.db2.gz IGTPZGXOHNYESV-UHFFFAOYSA-N 1 0 193.315 2.661 50 0 AFAARO CSc1ccc(C[NH2+]C(C)C)cc1 10436217 168311430 /nfs/dbraw/zinc/31/14/30/168311430.db2.gz CPTPMCZGMGGZPJ-UHFFFAOYSA-N 1 0 195.331 2.907 50 0 AFAARO CSc1cccc(C[NH2+]C(C)C)c1 19088194 168312162 /nfs/dbraw/zinc/31/21/62/168312162.db2.gz MRGZDDHMRUUUAD-UHFFFAOYSA-N 1 0 195.331 2.907 50 0 in-vitro AFAARO CSc1ccccc1[C@H]1CCC[NH2+]1 3732327 168312669 /nfs/dbraw/zinc/31/26/69/168312669.db2.gz XLTYHQGKUJLXRU-SNVBAGLBSA-N 1 0 193.315 2.833 50 0 in-vitro AFAARO CSc1ccccc1[C@@H]1CCC[NH2+]1 3732328 168313234 /nfs/dbraw/zinc/31/32/34/168313234.db2.gz XLTYHQGKUJLXRU-JTQLQIEISA-N 1 0 193.315 2.833 50 0 in-vitro AFAARO C[C@@H](C1CCCCC1)[C@@H](C)[NH3+] 72266687 168331681 /nfs/dbraw/zinc/33/16/81/168331681.db2.gz YXLQIAOHRCHNEY-RKDXNWHRSA-N 1 0 155.285 2.550 50 0 in-vitro AFAARO C[C@@H](CC[NH3+])Sc1ccccc1 391658 168338690 /nfs/dbraw/zinc/33/86/90/168338690.db2.gz QZWOHZATVPAJTJ-VIFPVBQESA-N 1 0 181.304 2.516 50 0 AFAARO C[C@@H](CC[NH3+])c1ccc(Cl)cc1 11629506 168339103 /nfs/dbraw/zinc/33/91/03/168339103.db2.gz PAJFYLMVTXJVSX-QMMMGPOBSA-N 1 0 183.682 2.792 50 0 AFAARO C[C@@H](CCc1ccccc1)[NH2+]C1CC1 22212973 168340249 /nfs/dbraw/zinc/34/02/49/168340249.db2.gz AHRICYXVJUOKJQ-NSHDSACASA-N 1 0 189.302 2.760 50 0 AFAARO C[C@@H](C[NH3+])Cc1cccc2ccccc12 29865990 168343603 /nfs/dbraw/zinc/34/36/03/168343603.db2.gz LKMDBJJBQCVRCG-LLVKDONJSA-N 1 0 199.297 2.977 50 0 in-vitro AFAARO C[C@@H](C[NH3+])c1ccc(F)c(Cl)c1 41664032 168344566 /nfs/dbraw/zinc/34/45/66/168344566.db2.gz GOMIJMOWCASBPD-LURJTMIESA-N 1 0 187.645 2.541 50 0 AFAARO C[C@@H](C[NH2+]C1CC1)c1ccccc1 10475298 168348331 /nfs/dbraw/zinc/34/83/31/168348331.db2.gz BUMVSMDZYFQUMG-JTQLQIEISA-N 1 0 175.275 2.542 50 0 AFAARO C[C@@H](C[C@@H]1CC[NH2+]C1)c1ccccc1 42784185 168352304 /nfs/dbraw/zinc/35/23/04/168352304.db2.gz MKUNJVRWICYWMC-RYUDHWBXSA-N 1 0 189.302 2.790 50 0 AFAARO C[C@@H](C[C@H]1CC[NH2+]C1)c1ccccc1 42784187 168353384 /nfs/dbraw/zinc/35/33/84/168353384.db2.gz MKUNJVRWICYWMC-NWDGAFQWSA-N 1 0 189.302 2.790 50 0 AFAARO C[C@@H]([NH3+])CC12CC3CC(CC(C3)C1)C2 5327776 168360388 /nfs/dbraw/zinc/36/03/88/168360388.db2.gz IZRZEBNCIWGCDK-HIVKSXORSA-N 1 0 193.334 2.940 50 0 in-vitro AFAARO C[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 3831430 168360604 /nfs/dbraw/zinc/36/06/04/168360604.db2.gz UBCHPRBFMUDMNC-AAWJQDODSA-N 1 0 179.307 2.550 50 0 fda AFAARO C[C@@H]([NH3+])CCC1CCCCC1 37479275 168360846 /nfs/dbraw/zinc/36/08/46/168360846.db2.gz PGKIYCIVGXRFTD-SECBINFHSA-N 1 0 155.285 2.694 50 0 in-vitro AFAARO C[C@@H]([NH3+])CC(C)(C)c1ccccc1 11631327 168361050 /nfs/dbraw/zinc/36/10/50/168361050.db2.gz ZEKIMUJKTNMBLZ-SNVBAGLBSA-N 1 0 177.291 2.702 50 0 in-vitro AFAARO C[C@@H]([NH3+])C1(c2ccccc2)CCCC1 62782749 168361297 /nfs/dbraw/zinc/36/12/97/168361297.db2.gz ABRFXTMQISKRJO-LLVKDONJSA-N 1 0 189.302 2.846 50 0 in-vitro AFAARO C[C@@H]([NH3+])CCc1ccccc1Cl 4169259 168363157 /nfs/dbraw/zinc/36/31/57/168363157.db2.gz JPYONMJJWKTSBP-MRVPVSSYSA-N 1 0 183.682 2.620 50 0 AFAARO C[C@@H]([NH3+])CCc1ccc(Cl)cc1 4169257 168363631 /nfs/dbraw/zinc/36/36/31/168363631.db2.gz FYNLOGUCRBHVEG-MRVPVSSYSA-N 1 0 183.682 2.620 50 0 in-vitro AFAARO C[C@@H]([NH3+])Cc1ccc2ccccc2c1 19406570 168364791 /nfs/dbraw/zinc/36/47/91/168364791.db2.gz UPQSZFKXKRKCGZ-SNVBAGLBSA-N 1 0 185.270 2.730 50 0 in-vivo AFAARO C[C@@H]([NH3+])[C@H](C)C1CCCCC1 72266688 168367782 /nfs/dbraw/zinc/36/77/82/168367782.db2.gz YXLQIAOHRCHNEY-DTWKUNHWSA-N 1 0 155.285 2.550 50 0 in-vitro AFAARO C[C@@H]([NH3+])c1ccc2ccccc2c1 2146633 168369411 /nfs/dbraw/zinc/36/94/11/168369411.db2.gz KHSYYLCXQKCYQX-SECBINFHSA-N 1 0 171.243 2.860 50 0 in-vitro AFAARO C[C@@H]([NH3+])c1cc2cc(F)ccc2o1 20438996 168369498 /nfs/dbraw/zinc/36/94/98/168369498.db2.gz DVYLBXVDCSGLLN-ZCFIWIBFSA-N 1 0 179.194 2.592 50 0 in-vitro AFAARO C[C@@H]([NH3+])c1ccc(C(F)(F)F)s1 82895388 168369565 /nfs/dbraw/zinc/36/95/65/168369565.db2.gz LGPHUAZLZMPEML-SCSAIBSYSA-N 1 0 195.209 2.787 50 0 AFAARO C[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 2598071 168369662 /nfs/dbraw/zinc/36/96/62/168369662.db2.gz ODZXRBRYQGYVJY-ZCFIWIBFSA-N 1 0 189.180 2.725 50 0 in-vitro AFAARO C[C@@H]([NH3+])c1ccc(C2CC2)cc1 52886443 168369980 /nfs/dbraw/zinc/36/99/80/168369980.db2.gz ZALZLSQMLQNUNA-MRVPVSSYSA-N 1 0 161.248 2.584 50 0 in-vitro AFAARO C[C@@H]([NH3+])c1ccc(-c2ccncc2)cc1 40231740 168370152 /nfs/dbraw/zinc/37/01/52/168370152.db2.gz KPBHYDOOJXDXBR-SNVBAGLBSA-N 1 0 198.269 2.768 50 0 in-vitro AFAARO C[C@@H]([NH3+])c1cccc(-c2cccnc2)c1 38069885 168370156 /nfs/dbraw/zinc/37/01/56/168370156.db2.gz ROJQHZMDTOFIRK-SNVBAGLBSA-N 1 0 198.269 2.768 50 0 AFAARO C[C@@H]([NH3+])c1cccc(C2CC2)c1 52886449 168370196 /nfs/dbraw/zinc/37/01/96/168370196.db2.gz HVRIGTRPKTZQKC-MRVPVSSYSA-N 1 0 161.248 2.584 50 0 AFAARO C[C@@H]([NH3+])c1ccc2c(c1)CCCC2 4206387 168370231 /nfs/dbraw/zinc/37/02/31/168370231.db2.gz YJZYMMDEDLLIIP-SECBINFHSA-N 1 0 175.275 2.585 50 0 in-vitro AFAARO C[C@@H]([NH3+])c1cc2cccc(F)c2o1 37034701 168370413 /nfs/dbraw/zinc/37/04/13/168370413.db2.gz ZHXVJVZBABOKCU-ZCFIWIBFSA-N 1 0 179.194 2.592 50 0 in-vitro AFAARO C[C@@H]([NH3+])c1cc2c(s1)CCCC2 82163994 168370453 /nfs/dbraw/zinc/37/04/53/168370453.db2.gz NFZGOIWICQUNQQ-SSDOTTSWSA-N 1 0 181.304 2.647 50 0 in-vitro AFAARO C[C@@H]([NH3+])c1ccc(-c2cccnc2)cc1 38069881 168370482 /nfs/dbraw/zinc/37/04/82/168370482.db2.gz OGGKRFGMVHUZQV-SNVBAGLBSA-N 1 0 198.269 2.768 50 0 in-vitro AFAARO C[C@@H]([NH3+])c1cc2ccccc2s1 3705358 168370776 /nfs/dbraw/zinc/37/07/76/168370776.db2.gz OELFZKCSIUHOHM-SSDOTTSWSA-N 1 0 177.272 2.921 50 0 in-vitro AFAARO C[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 338006 168370923 /nfs/dbraw/zinc/37/09/23/168370923.db2.gz GUMZDWPMXGQNBG-ZCFIWIBFSA-N 1 0 189.180 2.725 50 0 in-vitro AFAARO C[C@@H]([NH3+])c1ccc(F)c2ccccc12 69900595 168371080 /nfs/dbraw/zinc/37/10/80/168371080.db2.gz MVNSJXXBMVYRCM-MRVPVSSYSA-N 1 0 189.233 2.999 50 0 in-vitro AFAARO C[C@@H]([NH3+])c1csc2ccccc12 26515976 168371529 /nfs/dbraw/zinc/37/15/29/168371529.db2.gz QHQWHUVCNWLPGV-SSDOTTSWSA-N 1 0 177.272 2.921 50 0 AFAARO C[C@@H]([NH3+])c1ccccc1C(F)(F)F 2598069 168371885 /nfs/dbraw/zinc/37/18/85/168371885.db2.gz DPLIMKBGTYIUCB-ZCFIWIBFSA-N 1 0 189.180 2.725 50 0 in-vitro AFAARO C[C@@H]([NH3+])c1csc(C(F)(F)F)c1 83279914 168373089 /nfs/dbraw/zinc/37/30/89/168373089.db2.gz UFKOXNNWMJOSQP-SCSAIBSYSA-N 1 0 195.209 2.787 50 0 AFAARO C[C@@H]([NH3+])c1cccc2ccccc12 2036677 168373104 /nfs/dbraw/zinc/37/31/04/168373104.db2.gz RTCUCQWIICFPOD-SECBINFHSA-N 1 0 171.243 2.860 50 0 in-vitro AFAARO C[C@@H]([NH3+])c1coc2c(F)cccc12 82871063 168373119 /nfs/dbraw/zinc/37/31/19/168373119.db2.gz UDFBRQFWZWRZMY-ZCFIWIBFSA-N 1 0 179.194 2.592 50 0 AFAARO C[C@@H]([NH2+]C1CC1)c1ccc(F)cc1 22150865 168378253 /nfs/dbraw/zinc/37/82/53/168378253.db2.gz NJOWFYKNUVBXGE-MRVPVSSYSA-N 1 0 179.238 2.639 50 0 AFAARO C[C@@H]([NH2+]C1CC1)c1ccc(F)c(F)c1 22148479 168378601 /nfs/dbraw/zinc/37/86/01/168378601.db2.gz TVSRSAQNSZJCFL-SSDOTTSWSA-N 1 0 197.228 2.778 50 0 AFAARO C[C@@H]([NH2+]C1CC1)C1CCCCC1 3636256 168378617 /nfs/dbraw/zinc/37/86/17/168378617.db2.gz ZBZBLHBMSYUBHO-SECBINFHSA-N 1 0 167.296 2.707 50 0 AFAARO C[C@@H]([NH2+]C1CC1)c1cccs1 22215218 168378737 /nfs/dbraw/zinc/37/87/37/168378737.db2.gz NZOXXJHVENQDIA-SSDOTTSWSA-N 1 0 167.277 2.561 50 0 AFAARO C[C@@H]([NH2+]C1CC1)c1ccccc1F 21958236 168379062 /nfs/dbraw/zinc/37/90/62/168379062.db2.gz YCUXGRSZPJVBOB-MRVPVSSYSA-N 1 0 179.238 2.639 50 0 in-vitro AFAARO C[C@@H]([NH2+]C1CC1)c1cc(F)ccc1F 22141795 168379307 /nfs/dbraw/zinc/37/93/07/168379307.db2.gz BHDGVQKAAKACFR-SSDOTTSWSA-N 1 0 197.228 2.778 50 0 AFAARO C[C@@H]([NH2+]C1CC1)c1cccnc1Cl 95967079 168379955 /nfs/dbraw/zinc/37/99/55/168379955.db2.gz JAKSRWFRRMQBPB-SSDOTTSWSA-N 1 0 196.681 2.548 50 0 AFAARO C[C@@H]([NH2+]C1CC1)c1cccc(F)c1 19275852 168380072 /nfs/dbraw/zinc/38/00/72/168380072.db2.gz UXVMDYRPNAIGLL-MRVPVSSYSA-N 1 0 179.238 2.639 50 0 AFAARO C[C@@H]([NH2+]CCc1ccccc1)C1CC1 19919853 168380842 /nfs/dbraw/zinc/38/08/42/168380842.db2.gz PJVREMATUPQPMC-LLVKDONJSA-N 1 0 189.302 2.617 50 0 AFAARO C[C@@H]([NH2+]CC1CC1)c1ccccc1 4616842 168380980 /nfs/dbraw/zinc/38/09/80/168380980.db2.gz DBZLFDOJZXGGBF-SNVBAGLBSA-N 1 0 175.275 2.747 50 0 in-vitro AFAARO C[C@@H]([NH2+]Cc1cccs1)C1CC1 6651250 168383307 /nfs/dbraw/zinc/38/33/07/168383307.db2.gz SLNAKWHRQJGSCT-MRVPVSSYSA-N 1 0 181.304 2.636 50 0 AFAARO C[C@@H]([NH2+]Cc1ccccc1)C1CC1 1509833 168383717 /nfs/dbraw/zinc/38/37/17/168383717.db2.gz IAFIYTMWMGDDQD-SNVBAGLBSA-N 1 0 175.275 2.575 50 0 in-vitro AFAARO C[C@@H]([NH2+]Cc1ccccc1)C1(C)CC1 37467560 168384289 /nfs/dbraw/zinc/38/42/89/168384289.db2.gz PKWKYSBSQCAZEJ-LLVKDONJSA-N 1 0 189.302 2.965 50 0 AFAARO C[C@@H](c1ccccc1)[NH+]1CCCC1 33868500 168404040 /nfs/dbraw/zinc/40/40/40/168404040.db2.gz UWBGXRMEQVITBS-NSHDSACASA-N 1 0 175.275 2.843 50 0 AFAARO C[C@@H](c1ccccc1)C1CC[NH2+]CC1 62951107 168405004 /nfs/dbraw/zinc/40/50/04/168405004.db2.gz PRBPNRNFONDOOD-NSHDSACASA-N 1 0 189.302 2.790 50 0 AFAARO C[C@@H]1CC(C)(C)C[C@](C)([NH3+])C1 17418103 168412484 /nfs/dbraw/zinc/41/24/84/168412484.db2.gz WCYNWVWYGZJUFX-PSASIEDQSA-N 1 0 155.285 2.550 50 0 AFAARO C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC1 44480099 168415342 /nfs/dbraw/zinc/41/53/42/168415342.db2.gz QJDFRXZIRCETFA-KOLCDFICSA-N 1 0 167.296 2.707 50 0 AFAARO C[C@@H]1CCCC[C@H]1[NH2+]C1CCC1 44480103 168417649 /nfs/dbraw/zinc/41/76/49/168417649.db2.gz QJDFRXZIRCETFA-MWLCHTKSSA-N 1 0 167.296 2.707 50 0 AFAARO C[C@@H]1CCCc2ccccc2[C@@H]1[NH3+] 43649750 168429510 /nfs/dbraw/zinc/42/95/10/168429510.db2.gz OJUDKQMJOKWXNL-BXKDBHETSA-N 1 0 175.275 2.659 50 0 in-vitro AFAARO C[C@@H]1CC[C@@H](c2ccccc2)[NH2+]C1 70710135 168439415 /nfs/dbraw/zinc/43/94/15/168439415.db2.gz IWCFBBFSWZZNCW-PWSUYJOCSA-N 1 0 175.275 2.747 50 0 in-vitro AFAARO C[C@@H]1C[C@@H]([NH3+])C[C@H](c2ccccc2)C1 74942361 168466081 /nfs/dbraw/zinc/46/60/81/168466081.db2.gz BPGLCNOUOZBXFX-CYZMBNFOSA-N 1 0 189.302 2.918 50 0 in-vitro AFAARO C[C@@H]1C[C@@H](Cc2ccccc2)CC[NH2+]1 82882159 168466129 /nfs/dbraw/zinc/46/61/29/168466129.db2.gz OFGKRESMPJWYJJ-YPMHNXCESA-N 1 0 189.302 2.617 50 0 in-vitro AFAARO C[C@@H]1C[C@@H](C2CCCCC2)C[NH2+]1 70586552 168466207 /nfs/dbraw/zinc/46/62/07/168466207.db2.gz ISJSWPCHDCEPCA-MWLCHTKSSA-N 1 0 167.296 2.565 50 0 AFAARO C[C@@H]1C[C@@H](C2CCCCC2)CC[NH2+]1 82874580 168466786 /nfs/dbraw/zinc/46/67/86/168466786.db2.gz FOGCBNIZVNDKET-PWSUYJOCSA-N 1 0 181.323 2.955 50 0 AFAARO C[C@@H]1C[C@@H](c2ccccc2)CC[NH2+]1 1662169 168468869 /nfs/dbraw/zinc/46/88/69/168468869.db2.gz IVPJZROSRBWYLS-PWSUYJOCSA-N 1 0 175.275 2.542 50 0 in-vitro AFAARO C[C@@H]1C[C@H](CC[NH3+])CC(C)(C)C1 43559337 168473234 /nfs/dbraw/zinc/47/32/34/168473234.db2.gz ASRQPIHVICNKCL-ZJUUUORDSA-N 1 0 169.312 2.798 50 0 in-vitro AFAARO C[C@@H]1C[C@H](C2CCCCC2)CC[NH2+]1 82874578 168474156 /nfs/dbraw/zinc/47/41/56/168474156.db2.gz FOGCBNIZVNDKET-ZYHUDNBSSA-N 1 0 181.323 2.955 50 0 AFAARO C[C@@]1(CCc2ccccc2)CC[NH2+]C1 51955115 168499064 /nfs/dbraw/zinc/49/90/64/168499064.db2.gz ZEJRBAYSVMYZLY-CYBMUJFWSA-N 1 0 189.302 2.619 50 0 in-vitro AFAARO C[C@@]1(c2ccc(Cl)cc2)CC[NH2+]C1 51955031 168503602 /nfs/dbraw/zinc/50/36/02/168503602.db2.gz IVXXPGPWYARBMZ-LLVKDONJSA-N 1 0 195.693 2.591 50 0 AFAARO C[C@@]1(c2ccccc2)CCCC[NH2+]1 71485130 168504951 /nfs/dbraw/zinc/50/49/51/168504951.db2.gz FLNODMVWOCAIEF-LBPRGKRZSA-N 1 0 175.275 2.675 50 0 AFAARO C[C@H](CC[NH3+])c1ccc(Cl)cc1 11629507 168524434 /nfs/dbraw/zinc/52/44/34/168524434.db2.gz PAJFYLMVTXJVSX-MRVPVSSYSA-N 1 0 183.682 2.792 50 0 AFAARO C[C@H](CC[NH3+])Sc1ccccc1 391659 168524623 /nfs/dbraw/zinc/52/46/23/168524623.db2.gz QZWOHZATVPAJTJ-SECBINFHSA-N 1 0 181.304 2.516 50 0 AFAARO C[C@H](C[C@H]1CC[NH2+]C1)c1ccccc1 42784188 168538927 /nfs/dbraw/zinc/53/89/27/168538927.db2.gz MKUNJVRWICYWMC-VXGBXAGGSA-N 1 0 189.302 2.790 50 0 AFAARO C[C@H]([NH3+])CCC1CCCCC1 37479273 168546918 /nfs/dbraw/zinc/54/69/18/168546918.db2.gz PGKIYCIVGXRFTD-VIFPVBQESA-N 1 0 155.285 2.694 50 0 in-vitro AFAARO C[C@H]([NH3+])CCc1ccc(Cl)cc1 4169256 168548339 /nfs/dbraw/zinc/54/83/39/168548339.db2.gz FYNLOGUCRBHVEG-QMMMGPOBSA-N 1 0 183.682 2.620 50 0 in-vitro AFAARO C[C@H]([NH3+])c1cccc(C2CC2)c1 52886448 168557410 /nfs/dbraw/zinc/55/74/10/168557410.db2.gz HVRIGTRPKTZQKC-QMMMGPOBSA-N 1 0 161.248 2.584 50 0 AFAARO C[C@H]([NH2+]CCc1ccccc1)C1CC1 19919855 168566029 /nfs/dbraw/zinc/56/60/29/168566029.db2.gz PJVREMATUPQPMC-NSHDSACASA-N 1 0 189.302 2.617 50 0 AFAARO C[C@H](c1ccccc1)[C@@H](C)[NH+](C)C 1720949 168591320 /nfs/dbraw/zinc/59/13/20/168591320.db2.gz YWJQXWWYGFLQNJ-WDEREUQCSA-N 1 0 177.291 2.740 50 0 AFAARO C[C@H]1CCCC[C@H]1[NH2+]C1CCC1 44480105 168600830 /nfs/dbraw/zinc/60/08/30/168600830.db2.gz QJDFRXZIRCETFA-GXSJLCMTSA-N 1 0 167.296 2.707 50 0 AFAARO C[C@H]1CCCc2ccccc2[C@H]1[NH3+] 43649758 168614313 /nfs/dbraw/zinc/61/43/13/168614313.db2.gz OJUDKQMJOKWXNL-CABZTGNLSA-N 1 0 175.275 2.659 50 0 in-vitro AFAARO C[C@H]1CC[C@H]([NH3+])c2ccccc21 83255027 168624188 /nfs/dbraw/zinc/62/41/88/168624188.db2.gz HPLRBWQBQGXWTA-KWQFWETISA-N 1 0 161.248 2.584 50 0 in-vitro AFAARO C[C@H]1C[NH2+]CCc2ccc(Cl)cc21 6733300 168639698 /nfs/dbraw/zinc/63/96/98/168639698.db2.gz XTTZERNUQAFMOF-QMMMGPOBSA-N 1 0 195.693 2.589 50 0 fda AFAARO C[C@H]1C[C@@H](C2CCCCC2)CC[NH2+]1 82874581 168650717 /nfs/dbraw/zinc/65/07/17/168650717.db2.gz FOGCBNIZVNDKET-JQWIXIFHSA-N 1 0 181.323 2.955 50 0 AFAARO C[C@H]1C[C@@H](Cc2ccccc2)CC[NH2+]1 82882160 168650872 /nfs/dbraw/zinc/65/08/72/168650872.db2.gz OFGKRESMPJWYJJ-AAEUAGOBSA-N 1 0 189.302 2.617 50 0 in-vitro AFAARO C[C@H]1C[C@@H](C2CCCCC2)C[NH2+]1 70586553 168651087 /nfs/dbraw/zinc/65/10/87/168651087.db2.gz ISJSWPCHDCEPCA-GXSJLCMTSA-N 1 0 167.296 2.565 50 0 AFAARO C[C@H]1C[C@@]1([NH3+])c1ccc(Cl)cc1 11883996 168656966 /nfs/dbraw/zinc/65/69/66/168656966.db2.gz SGEDZMQZECEZOF-XVKPBYJWSA-N 1 0 181.666 2.534 50 0 in-vitro AFAARO C[C@H]1C[C@H](CC[NH3+])CC(C)(C)C1 43559338 168660662 /nfs/dbraw/zinc/66/06/62/168660662.db2.gz ASRQPIHVICNKCL-UWVGGRQHSA-N 1 0 169.312 2.798 50 0 in-vitro AFAARO C[C@H]1C[C@H](c2ccccc2)C[C@H]([NH3+])C1 74942357 168662825 /nfs/dbraw/zinc/66/28/25/168662825.db2.gz BPGLCNOUOZBXFX-WCFLWFBJSA-N 1 0 189.302 2.918 50 0 in-vitro AFAARO C[C@H]1C[C@]2(CCCC[NH2+]2)C[C@H]1C 239073201 168665925 /nfs/dbraw/zinc/66/59/25/168665925.db2.gz GSOHFNIOHIYKON-URLYPYJESA-N 1 0 167.296 2.565 50 0 AFAARO C[C@H]1C[C@H]1c1ccc(C[NH2+]C2CC2)o1 22216450 168666299 /nfs/dbraw/zinc/66/62/99/168666299.db2.gz HNYUESMNEYITJE-GZMMTYOYSA-N 1 0 191.274 2.655 50 0 in-vitro AFAARO C[C@]1(c2ccccc2)CCCC[NH2+]1 71485129 168689070 /nfs/dbraw/zinc/68/90/70/168689070.db2.gz FLNODMVWOCAIEF-GFCCVEGCSA-N 1 0 175.275 2.675 50 0 AFAARO Cc1c(C[NH3+])oc2ccc(Cl)cc12 52068845 168708199 /nfs/dbraw/zinc/70/81/99/168708199.db2.gz MUJKEGDRMGRMQN-UHFFFAOYSA-N 1 0 195.649 2.853 50 0 AFAARO Cc1cc(C)cc(C2CC[NH2+]CC2)c1 14629010 168743393 /nfs/dbraw/zinc/74/33/93/168743393.db2.gz BINXWXLQELNOAU-UHFFFAOYSA-N 1 0 189.302 2.770 50 0 AFAARO Cc1cc(C)cc([C@@H]2CCC[NH2+]2)c1 2582594 168745656 /nfs/dbraw/zinc/74/56/56/168745656.db2.gz SHGUHZCFMGGKFO-LBPRGKRZSA-N 1 0 175.275 2.728 50 0 in-vitro AFAARO Cc1cc([C@@H]([NH3+])C2CC2)ccc1F 20184786 168779537 /nfs/dbraw/zinc/77/95/37/168779537.db2.gz QFYKJOSJBBLCAH-NSHDSACASA-N 1 0 179.238 2.544 50 0 in-vitro AFAARO Cc1cc([C@H]([NH3+])C2CC2)ccc1F 20184787 168781789 /nfs/dbraw/zinc/78/17/89/168781789.db2.gz QFYKJOSJBBLCAH-LLVKDONJSA-N 1 0 179.238 2.544 50 0 in-vitro AFAARO Cc1cc([C@H]2C=CNC=[NH+]2)c(C)s1 480764 168782849 /nfs/dbraw/zinc/78/28/49/168782849.db2.gz ONPRQZJDKZHNQE-SNVBAGLBSA-N 1 0 192.287 2.551 50 0 AFAARO Cc1cc[n+](Cc2ccccc2)cc1C 34085649 168791950 /nfs/dbraw/zinc/79/19/50/168791950.db2.gz GVLMBSLAGCKIHS-UHFFFAOYSA-N 1 0 198.289 2.639 50 0 in-vitro AFAARO Cc1ccc(C(C)(C)C[NH3+])c(C)c1 41200084 168802281 /nfs/dbraw/zinc/80/22/81/168802281.db2.gz LRRAOFJWUTWUCN-UHFFFAOYSA-N 1 0 177.291 2.540 50 0 in-vitro AFAARO Cc1ccc(C)c(C[C@H]2CCC[NH2+]2)c1 11630852 168803478 /nfs/dbraw/zinc/80/34/78/168803478.db2.gz NMAPYAOGLHNSSA-CYBMUJFWSA-N 1 0 189.302 2.598 50 0 AFAARO Cc1ccc(C)c(C[C@@H]2CCC[NH2+]2)c1 11630851 168804398 /nfs/dbraw/zinc/80/43/98/168804398.db2.gz NMAPYAOGLHNSSA-ZDUSSCGKSA-N 1 0 189.302 2.598 50 0 AFAARO Cc1ccc(C2([NH3+])CCCC2)cc1 33487145 168808842 /nfs/dbraw/zinc/80/88/42/168808842.db2.gz RESLJLKNUFHRCC-UHFFFAOYSA-N 1 0 175.275 2.723 50 0 AFAARO Cc1ccc(CC2CC[NH2+]CC2)cc1 2513152 168809783 /nfs/dbraw/zinc/80/97/83/168809783.db2.gz WOOPTEWYQWYUGW-UHFFFAOYSA-N 1 0 189.302 2.537 50 0 in-vitro AFAARO Cc1ccc(CC(C)(C)C[NH3+])cc1 49804177 168810644 /nfs/dbraw/zinc/81/06/44/168810644.db2.gz JYVHTVRFTOHNGG-UHFFFAOYSA-N 1 0 177.291 2.522 50 0 AFAARO Cc1ccc(C[NH3+])c2ccccc12 44248627 168812795 /nfs/dbraw/zinc/81/27/95/168812795.db2.gz NCDLIEZHVXCBMD-UHFFFAOYSA-N 1 0 171.243 2.607 50 0 in-vitro AFAARO Cc1ccc(C[NH2+]C(C)(C)C)s1 105867 168814008 /nfs/dbraw/zinc/81/40/08/168814008.db2.gz UADDNZAVVPXTSS-UHFFFAOYSA-N 1 0 183.320 2.945 50 0 AFAARO Cc1ccc(C[NH2+]CC(C)C)cc1F 37855532 168814388 /nfs/dbraw/zinc/81/43/88/168814388.db2.gz GATPBYWFLVSRBK-UHFFFAOYSA-N 1 0 195.281 2.880 50 0 AFAARO Cc1ccc(C[NH2+]C(C)(C)C)cc1 8550074 168814601 /nfs/dbraw/zinc/81/46/01/168814601.db2.gz BTOKYMQGPPWSTM-UHFFFAOYSA-N 1 0 177.291 2.883 50 0 AFAARO Cc1ccc(C[C@@H]2CCC[NH2+]C2)cc1 2526859 168816056 /nfs/dbraw/zinc/81/60/56/168816056.db2.gz DUOKGZWRUWUHQT-ZDUSSCGKSA-N 1 0 189.302 2.537 50 0 in-vitro AFAARO Cc1ccc(C[C@@H]2CCCC[NH2+]2)cc1 2582637 168816385 /nfs/dbraw/zinc/81/63/85/168816385.db2.gz BIKBJZWBAXLSJF-ZDUSSCGKSA-N 1 0 189.302 2.680 50 0 in-vitro AFAARO Cc1ccc(C[C@H]2CCCC[NH2+]2)cc1 3734653 168817712 /nfs/dbraw/zinc/81/77/12/168817712.db2.gz BIKBJZWBAXLSJF-CYBMUJFWSA-N 1 0 189.302 2.680 50 0 in-vitro AFAARO Cc1ccc(C[n+]2ccc(C)cc2)cc1 7814733 168817822 /nfs/dbraw/zinc/81/78/22/168817822.db2.gz SBRGTMCIIDDCAT-UHFFFAOYSA-N 1 0 198.289 2.639 50 0 AFAARO Cc1ccc([C@@H](C)[NH2+]C2CC2)s1 19276616 168835286 /nfs/dbraw/zinc/83/52/86/168835286.db2.gz KJDJDECHSGUCBL-MRVPVSSYSA-N 1 0 181.304 2.870 50 0 AFAARO Cc1ccc([C@@H]([NH3+])C(C)(C)C)o1 43609719 168835374 /nfs/dbraw/zinc/83/53/74/168835374.db2.gz CLVKAYCRRLIBPY-SECBINFHSA-N 1 0 167.252 2.634 50 0 in-vitro AFAARO Cc1ccc([C@@H]2CCC[NH2+]2)c(C)c1 3732345 168836920 /nfs/dbraw/zinc/83/69/20/168836920.db2.gz UOPALANXPTYMFE-LBPRGKRZSA-N 1 0 175.275 2.728 50 0 in-vitro AFAARO Cc1ccc([C@@H]2CCCC[NH2+]2)s1 3734796 168836985 /nfs/dbraw/zinc/83/69/85/168836985.db2.gz CRSBZCBNGHEACD-VIFPVBQESA-N 1 0 181.304 2.871 50 0 AFAARO Cc1ccc([C@@H]2CCC[C@H]2[NH3+])cc1 60714087 168837910 /nfs/dbraw/zinc/83/79/10/168837910.db2.gz RQLKKCBXVXGQSE-NWDGAFQWSA-N 1 0 175.275 2.590 50 0 in-vitro AFAARO Cc1ccc([C@H]([NH3+])C2CCCC2)o1 43609695 168841112 /nfs/dbraw/zinc/84/11/12/168841112.db2.gz JENIPKUBWPSVHM-LLVKDONJSA-N 1 0 179.263 2.778 50 0 AFAARO Cc1ccc([C@H]2CCCC[NH2+]2)cc1 3734598 168841623 /nfs/dbraw/zinc/84/16/23/168841623.db2.gz RPMPQNRTPBUGIW-GFCCVEGCSA-N 1 0 175.275 2.810 50 0 in-vitro AFAARO Cc1ccc([C@H]2CCCC[NH2+]2)s1 3734795 168842405 /nfs/dbraw/zinc/84/24/05/168842405.db2.gz CRSBZCBNGHEACD-SECBINFHSA-N 1 0 181.304 2.871 50 0 AFAARO Cc1ccc([C@H]2CCC[NH2+]2)cc1C 4234770 168842800 /nfs/dbraw/zinc/84/28/00/168842800.db2.gz UWEGZHRBGMAQHN-GFCCVEGCSA-N 1 0 175.275 2.728 50 0 in-vitro AFAARO Cc1ccc([C@H]2CCC[C@H]2[NH3+])cc1 60714090 168843664 /nfs/dbraw/zinc/84/36/64/168843664.db2.gz RQLKKCBXVXGQSE-VXGBXAGGSA-N 1 0 175.275 2.590 50 0 in-vitro AFAARO Cc1ccc([C@H]2CC[NH2+]C2(C)C)cc1 51954892 168844114 /nfs/dbraw/zinc/84/41/14/168844114.db2.gz RRYQQNZKSNZVQA-GFCCVEGCSA-N 1 0 189.302 2.851 50 0 AFAARO Cc1ccc2c(c1)c([C@@H](C)[NH3+])cn2C 71492800 168851969 /nfs/dbraw/zinc/85/19/69/168851969.db2.gz PAIZQMJBIVAIJE-SECBINFHSA-N 1 0 188.274 2.506 50 0 AFAARO Cc1cccc(C2CC[NH2+]CC2)c1C 38539239 168863804 /nfs/dbraw/zinc/86/38/04/168863804.db2.gz UTCWSIVLNMSABR-UHFFFAOYSA-N 1 0 189.302 2.770 50 0 AFAARO Cc1cccc(CC2CC[NH2+]CC2)c1 2545005 168864266 /nfs/dbraw/zinc/86/42/66/168864266.db2.gz RIMFOUPCWRHPHG-UHFFFAOYSA-N 1 0 189.302 2.537 50 0 AFAARO Cc1cccc(C2=CC[NH2+]CC2)c1C 55232314 168864348 /nfs/dbraw/zinc/86/43/48/168864348.db2.gz OVNZOEIBGAAULD-UHFFFAOYSA-N 1 0 187.286 2.680 50 0 AFAARO Cc1cccc(C2(C[NH3+])CCCC2)c1 33487082 168864753 /nfs/dbraw/zinc/86/47/53/168864753.db2.gz CKMVKHSUXDMASI-UHFFFAOYSA-N 1 0 189.302 2.766 50 0 in-vitro AFAARO Cc1cccc(Cl)c1CCC[NH3+] 44281045 168867634 /nfs/dbraw/zinc/86/76/34/168867634.db2.gz AUEARRYOHSPIOE-UHFFFAOYSA-N 1 0 183.682 2.540 50 0 in-vitro AFAARO Cc1cccc([C@@H]2CCCC[NH2+]2)c1 2577408 168872338 /nfs/dbraw/zinc/87/23/38/168872338.db2.gz YKFXSWPGGIAPSM-LBPRGKRZSA-N 1 0 175.275 2.810 50 0 in-vitro AFAARO Cc1cccc([C@@H]2CC[NH2+]C2(C)C)c1 51954817 168873641 /nfs/dbraw/zinc/87/36/41/168873641.db2.gz LJORLWDLVTXYBV-LBPRGKRZSA-N 1 0 189.302 2.851 50 0 AFAARO Cc1cccc([C@H]2CC[NH2+]C2(C)C)c1 51954819 168874652 /nfs/dbraw/zinc/87/46/52/168874652.db2.gz LJORLWDLVTXYBV-GFCCVEGCSA-N 1 0 189.302 2.851 50 0 AFAARO Cc1ccsc1C[NH2+]C(C)C 19880439 168895216 /nfs/dbraw/zinc/89/52/16/168895216.db2.gz SPXWKQPRAOWJIC-UHFFFAOYSA-N 1 0 169.293 2.555 50 0 in-vitro AFAARO Cc1ccsc1C1CC[NH2+]CC1 38539231 168895323 /nfs/dbraw/zinc/89/53/23/168895323.db2.gz BKYSVTMISARVBY-UHFFFAOYSA-N 1 0 181.304 2.524 50 0 AFAARO Cc1c[nH+]ccc1N[C@@H](C)C(C)C 70046864 168912365 /nfs/dbraw/zinc/91/23/65/168912365.db2.gz ITHHAZUHVCMNDZ-JTQLQIEISA-N 1 0 178.279 2.846 50 0 in-vitro AFAARO Cc1[nH+]c(C)c(C)c(C)c1C 13234304 168934107 /nfs/dbraw/zinc/93/41/07/168934107.db2.gz LFURNOQUNVHWHY-UHFFFAOYSA-N 1 0 149.237 2.624 50 0 AFAARO Cc1[nH+]ccc(N)c1Cc1ccccc1 95831056 168969800 /nfs/dbraw/zinc/96/98/00/168969800.db2.gz YWQXDJMTVBEQGO-UHFFFAOYSA-N 1 0 198.269 2.563 50 0 AFAARO Cc1oc(-c2ccccc2)cc1C[NH3+] 2582871 169006828 /nfs/dbraw/zinc/00/68/28/169006828.db2.gz MXJKQVHAAWIPOH-UHFFFAOYSA-N 1 0 187.242 2.714 50 0 AFAARO Cc1scc(-c2ccccc2)[n+]1C 3167986 169015840 /nfs/dbraw/zinc/01/58/40/169015840.db2.gz LBQKKQHTIUHCOS-UHFFFAOYSA-N 1 0 190.291 2.548 50 0 AFAARO Clc1ccc([C@@H]2CCC[NH2+]2)s1 2545001 169022915 /nfs/dbraw/zinc/02/29/15/169022915.db2.gz XMSYAIXTGCQRQX-LURJTMIESA-N 1 0 187.695 2.826 50 0 in-vitro AFAARO Clc1ccc([C@H]2CCC[NH2+]2)s1 3732470 169022983 /nfs/dbraw/zinc/02/29/83/169022983.db2.gz XMSYAIXTGCQRQX-ZCFIWIBFSA-N 1 0 187.695 2.826 50 0 in-vitro AFAARO Clc1ccc(C[C@H]2CCC[NH2+]2)cc1 3732348 169023099 /nfs/dbraw/zinc/02/30/99/169023099.db2.gz IQGVUZCAENHORR-LLVKDONJSA-N 1 0 195.693 2.635 50 0 in-vitro AFAARO Clc1ccc([C@@H]2CCC[NH2+]C2)cc1 2577378 169023156 /nfs/dbraw/zinc/02/31/56/169023156.db2.gz GLXKIKPTKUQMAP-SNVBAGLBSA-N 1 0 195.693 2.807 50 0 in-vitro AFAARO Clc1ccc(C[C@@H]2CCC[NH2+]2)cc1 2582600 169023513 /nfs/dbraw/zinc/02/35/13/169023513.db2.gz IQGVUZCAENHORR-NSHDSACASA-N 1 0 195.693 2.635 50 0 in-vitro AFAARO Clc1ccc([C@H]2CCC[NH2+]C2)cc1 19088531 169023554 /nfs/dbraw/zinc/02/35/54/169023554.db2.gz GLXKIKPTKUQMAP-JTQLQIEISA-N 1 0 195.693 2.807 50 0 in-vitro AFAARO Clc1ccc([C@@H]2[NH2+]CCS2)cc1 56894657 169023663 /nfs/dbraw/zinc/02/36/63/169023663.db2.gz CRGIYWDTHYLXNH-SECBINFHSA-N 1 0 199.706 2.675 50 0 in-vitro AFAARO Clc1ccc(C[NH2+]C2CC2)cc1 9483888 169023690 /nfs/dbraw/zinc/02/36/90/169023690.db2.gz RVXJABFVIDLTSI-UHFFFAOYSA-N 1 0 181.666 2.592 50 0 in-vitro AFAARO Clc1ccc(C[NH+]2CCCC2)cc1 4673511 169023765 /nfs/dbraw/zinc/02/37/65/169023765.db2.gz HKXGVIKZRKRLMV-UHFFFAOYSA-N 1 0 195.693 2.936 50 0 AFAARO Clc1ccc([C@H]2CCC[NH2+]2)cc1 3732242 169023783 /nfs/dbraw/zinc/02/37/83/169023783.db2.gz CIHHGGKKRPPWSU-SNVBAGLBSA-N 1 0 181.666 2.765 50 0 in-vitro AFAARO Clc1ccc([C@@H]2CCC[NH2+]2)cc1 2382426 169023822 /nfs/dbraw/zinc/02/38/22/169023822.db2.gz CIHHGGKKRPPWSU-JTQLQIEISA-N 1 0 181.666 2.765 50 0 in-vitro AFAARO Clc1ccc(C2CC[NH2+]CC2)cc1 971597 169023966 /nfs/dbraw/zinc/02/39/66/169023966.db2.gz VKQHTSSNSJIMAL-UHFFFAOYSA-N 1 0 195.693 2.807 50 0 in-vitro AFAARO Clc1ccccc1C[NH+]1CCCC1 1577501 169024359 /nfs/dbraw/zinc/02/43/59/169024359.db2.gz XIUPKYDFTUADKF-UHFFFAOYSA-N 1 0 195.693 2.936 50 0 AFAARO Clc1cccc([C@@H]2CCC[NH2+]2)c1 2582579 169024408 /nfs/dbraw/zinc/02/44/08/169024408.db2.gz SRTPGDGQKPCDMC-JTQLQIEISA-N 1 0 181.666 2.765 50 0 in-vitro AFAARO Clc1ccccc1C[NH2+]C1CC1 4657626 169024512 /nfs/dbraw/zinc/02/45/12/169024512.db2.gz GCJYLAWVUWEHLW-UHFFFAOYSA-N 1 0 181.666 2.592 50 0 in-vitro AFAARO Clc1ccccc1[C@H]1CCC[NH2+]1 4234806 169024541 /nfs/dbraw/zinc/02/45/41/169024541.db2.gz AFXDPDJNNABZGP-SNVBAGLBSA-N 1 0 181.666 2.765 50 0 in-vitro AFAARO Clc1cccc(C[C@H]2CCC[NH2+]2)c1 3732265 169024544 /nfs/dbraw/zinc/02/45/44/169024544.db2.gz QUAHLSVNDCUURH-LLVKDONJSA-N 1 0 195.693 2.635 50 0 in-vitro AFAARO Clc1ccccc1C1=CC[NH2+]CC1 19811333 169024674 /nfs/dbraw/zinc/02/46/74/169024674.db2.gz LLKFRQWRDFJHBK-UHFFFAOYSA-N 1 0 193.677 2.717 50 0 in-vitro AFAARO Clc1cccc(C2CC[NH2+]CC2)c1 2577352 169024690 /nfs/dbraw/zinc/02/46/90/169024690.db2.gz XCXYPQUVIZEIMX-UHFFFAOYSA-N 1 0 195.693 2.807 50 0 in-vitro AFAARO Clc1cccc(C[NH+]2CCCC2)c1 14193453 169024782 /nfs/dbraw/zinc/02/47/82/169024782.db2.gz MPKNYPYSOQRSHH-UHFFFAOYSA-N 1 0 195.693 2.936 50 0 AFAARO Clc1ccccc1[C@@H]1CCC[NH2+]1 2576612 169024907 /nfs/dbraw/zinc/02/49/07/169024907.db2.gz AFXDPDJNNABZGP-JTQLQIEISA-N 1 0 181.666 2.765 50 0 in-vitro AFAARO Clc1cccc(C[C@@H]2CCC[NH2+]2)c1 2582588 169025082 /nfs/dbraw/zinc/02/50/82/169025082.db2.gz QUAHLSVNDCUURH-NSHDSACASA-N 1 0 195.693 2.635 50 0 in-vitro AFAARO Clc1cccc([C@H]2CCC[NH2+]2)c1 3732243 169025091 /nfs/dbraw/zinc/02/50/91/169025091.db2.gz SRTPGDGQKPCDMC-SNVBAGLBSA-N 1 0 181.666 2.765 50 0 in-vitro AFAARO Clc1cccc(C2=CC[NH2+]CC2)c1 19811383 169025133 /nfs/dbraw/zinc/02/51/33/169025133.db2.gz GUMKLSMBRGGWAH-UHFFFAOYSA-N 1 0 193.677 2.717 50 0 AFAARO Clc1ccccc1C[C@@H]1CCC[NH2+]1 2582606 169025173 /nfs/dbraw/zinc/02/51/73/169025173.db2.gz DPKCYWNTWVXNKT-JTQLQIEISA-N 1 0 195.693 2.635 50 0 in-vitro AFAARO Clc1ccccc1C[NH2+]CC1CC1 19884595 169025198 /nfs/dbraw/zinc/02/51/98/169025198.db2.gz CKMCUXSARFZPSC-UHFFFAOYSA-N 1 0 195.693 2.840 50 0 in-vitro AFAARO Clc1ccccc1C[C@H]1CCC[NH2+]1 3732374 169025223 /nfs/dbraw/zinc/02/52/23/169025223.db2.gz DPKCYWNTWVXNKT-SNVBAGLBSA-N 1 0 195.693 2.635 50 0 in-vitro AFAARO Clc1cccc(C[NH2+]C2CC2)c1 16398829 169025231 /nfs/dbraw/zinc/02/52/31/169025231.db2.gz VALINFAZSMPKJJ-UHFFFAOYSA-N 1 0 181.666 2.592 50 0 in-vitro AFAARO Clc1ccccc1C1CC[NH2+]CC1 2577353 169025376 /nfs/dbraw/zinc/02/53/76/169025376.db2.gz LIQZVQFEBKPDRL-UHFFFAOYSA-N 1 0 195.693 2.807 50 0 in-vitro AFAARO Clc1cccc([C@@H]2[NH2+]CCS2)c1 53993668 169025759 /nfs/dbraw/zinc/02/57/59/169025759.db2.gz VLJRCRMLQIRLLA-SECBINFHSA-N 1 0 199.706 2.675 50 0 in-vitro AFAARO FC(F)(F)CC[NH2+]C1CCCCC1 37855250 169071986 /nfs/dbraw/zinc/07/19/86/169071986.db2.gz JKKBZBOTEDTPGW-UHFFFAOYSA-N 1 0 195.228 2.861 50 0 in-vitro AFAARO FC1(F)CCC([NH2+]CC2CC2)CC1 306627817 169076148 /nfs/dbraw/zinc/07/61/48/169076148.db2.gz JCRRGCUAAVNQAV-UHFFFAOYSA-N 1 0 189.249 2.564 50 0 AFAARO FC1CC[NH+](Cc2ccccc2)CC1 4290572 169076991 /nfs/dbraw/zinc/07/69/91/169076991.db2.gz QLVYYRFAUPEDRI-UHFFFAOYSA-N 1 0 193.265 2.621 50 0 AFAARO Fc1ccc(Cl)c([C@@H]2CCC[NH2+]2)c1 40442587 169082534 /nfs/dbraw/zinc/08/25/34/169082534.db2.gz CGGMZNBMOLQQOL-JTQLQIEISA-N 1 0 199.656 2.904 50 0 AFAARO Fc1ccc(Cl)cc1[C@H]1CCC[NH2+]1 19271875 169082855 /nfs/dbraw/zinc/08/28/55/169082855.db2.gz QGMCXNROUZRMGQ-SNVBAGLBSA-N 1 0 199.656 2.904 50 0 AFAARO Fc1ccc(Cl)c([C@H]2CCC[NH2+]2)c1 72201782 169082929 /nfs/dbraw/zinc/08/29/29/169082929.db2.gz CGGMZNBMOLQQOL-SNVBAGLBSA-N 1 0 199.656 2.904 50 0 AFAARO Fc1ccc(C[C@H]2CCCC[NH2+]2)cc1 3734628 169083020 /nfs/dbraw/zinc/08/30/20/169083020.db2.gz KUKWYHPWSGHNAN-GFCCVEGCSA-N 1 0 193.265 2.510 50 0 in-vitro AFAARO Fc1ccc(C[C@@H]2CCCC[NH2+]2)cc1 3734629 169083054 /nfs/dbraw/zinc/08/30/54/169083054.db2.gz KUKWYHPWSGHNAN-LBPRGKRZSA-N 1 0 193.265 2.510 50 0 in-vitro AFAARO Fc1ccc(Cl)cc1[C@@H]1CCC[NH2+]1 19271873 169083233 /nfs/dbraw/zinc/08/32/33/169083233.db2.gz QGMCXNROUZRMGQ-JTQLQIEISA-N 1 0 199.656 2.904 50 0 AFAARO Fc1ccc(C[NH2+]C2CCCC2)cc1 359892 169083528 /nfs/dbraw/zinc/08/35/28/169083528.db2.gz AZUJIJXHVNXASI-UHFFFAOYSA-N 1 0 193.265 2.858 50 0 AFAARO Fc1ccc([C@H]2CCCC[NH2+]C2)cc1 74934271 169084083 /nfs/dbraw/zinc/08/40/83/169084083.db2.gz QUVJBKWHZZDCQC-NSHDSACASA-N 1 0 193.265 2.683 50 0 AFAARO Fc1ccc([C@@H]2CCCC[NH2+]2)c(F)c1 3734729 169084237 /nfs/dbraw/zinc/08/42/37/169084237.db2.gz APHPQUVKNCZIIP-NSHDSACASA-N 1 0 197.228 2.779 50 0 in-vitro AFAARO Fc1ccc([C@H]2CCC[NH2+]CC2)cc1 71506395 169084254 /nfs/dbraw/zinc/08/42/54/169084254.db2.gz QNRNZFAMVFFENO-JTQLQIEISA-N 1 0 193.265 2.683 50 0 in-vitro AFAARO Fc1ccc([C@@H]2CCC[NH2+]CC2)cc1 71506394 169084467 /nfs/dbraw/zinc/08/44/67/169084467.db2.gz QNRNZFAMVFFENO-SNVBAGLBSA-N 1 0 193.265 2.683 50 0 in-vitro AFAARO Fc1ccc([C@@H]2CCCC[NH2+]C2)cc1 74934270 169084674 /nfs/dbraw/zinc/08/46/74/169084674.db2.gz QUVJBKWHZZDCQC-LLVKDONJSA-N 1 0 193.265 2.683 50 0 AFAARO Fc1ccc([C@H]2CCCC[NH2+]2)cc1 3734427 169084752 /nfs/dbraw/zinc/08/47/52/169084752.db2.gz IAQQDIGGISSSQO-LLVKDONJSA-N 1 0 179.238 2.640 50 0 in-vitro AFAARO Fc1ccc([C@@H]2CCCC[NH2+]2)cc1 2577401 169085003 /nfs/dbraw/zinc/08/50/03/169085003.db2.gz IAQQDIGGISSSQO-NSHDSACASA-N 1 0 179.238 2.640 50 0 in-vitro AFAARO Fc1cccc(Cl)c1C[NH2+]C1CC1 4218242 169085513 /nfs/dbraw/zinc/08/55/13/169085513.db2.gz VNFABSKAJCALBZ-UHFFFAOYSA-N 1 0 199.656 2.731 50 0 in-vitro AFAARO Fc1cccc(Cl)c1[C@H]1CCC[NH2+]1 19272506 169085566 /nfs/dbraw/zinc/08/55/66/169085566.db2.gz ZVFPAYZSIJRSER-SECBINFHSA-N 1 0 199.656 2.904 50 0 AFAARO Fc1cccc(C=C2CC[NH2+]CC2)c1 32625228 169085810 /nfs/dbraw/zinc/08/58/10/169085810.db2.gz DDIPQUNQCMZFSI-UHFFFAOYSA-N 1 0 191.249 2.593 50 0 in-vitro AFAARO Fc1cccc(C[C@@H]2CCCC[NH2+]2)c1 32099154 169085861 /nfs/dbraw/zinc/08/58/61/169085861.db2.gz IJYLFSLDAUJVGV-LBPRGKRZSA-N 1 0 193.265 2.510 50 0 in-vitro AFAARO Fc1cccc([C@@H]2CCCC[NH2+]2)c1 2577402 169085883 /nfs/dbraw/zinc/08/58/83/169085883.db2.gz YTYUBQPJRNWHGE-NSHDSACASA-N 1 0 179.238 2.640 50 0 in-vitro AFAARO Fc1cccc(C[NH2+]C2CCCC2)c1 6251181 169086072 /nfs/dbraw/zinc/08/60/72/169086072.db2.gz HOPMLUBUCOBORB-UHFFFAOYSA-N 1 0 193.265 2.858 50 0 in-vitro AFAARO Fc1cccc(Cl)c1[C@@H]1CCC[NH2+]1 19272503 169086118 /nfs/dbraw/zinc/08/61/18/169086118.db2.gz ZVFPAYZSIJRSER-VIFPVBQESA-N 1 0 199.656 2.904 50 0 AFAARO Fc1cccc(C[C@H]2CCCC[NH2+]2)c1 32099155 169086415 /nfs/dbraw/zinc/08/64/15/169086415.db2.gz IJYLFSLDAUJVGV-GFCCVEGCSA-N 1 0 193.265 2.510 50 0 in-vitro AFAARO Fc1cccc(C[NH+]2CCCCC2)c1 14193495 169086736 /nfs/dbraw/zinc/08/67/36/169086736.db2.gz QBFNLOSPRJQOCX-UHFFFAOYSA-N 1 0 193.265 2.812 50 0 AFAARO Fc1ccccc1C[NH2+]C1CCCC1 795090 169087083 /nfs/dbraw/zinc/08/70/83/169087083.db2.gz RABPPLBEHXEIKW-UHFFFAOYSA-N 1 0 193.265 2.858 50 0 in-vitro AFAARO Fc1ccccc1C=C1CC[NH2+]CC1 34577083 169087668 /nfs/dbraw/zinc/08/76/68/169087668.db2.gz CLQAHYGMZOBBEN-UHFFFAOYSA-N 1 0 191.249 2.593 50 0 in-vitro AFAARO Fc1ccccc1C[C@@H]1CCCC[NH2+]1 3734700 169087815 /nfs/dbraw/zinc/08/78/15/169087815.db2.gz QGJFWZGDKAGKDM-NSHDSACASA-N 1 0 193.265 2.510 50 0 AFAARO Fc1cccc([C@H]2CCCC[NH2+]2)c1 3734627 169087901 /nfs/dbraw/zinc/08/79/01/169087901.db2.gz YTYUBQPJRNWHGE-LLVKDONJSA-N 1 0 179.238 2.640 50 0 in-vitro AFAARO Fc1ccccc1C[C@H]1CCCC[NH2+]1 3734699 169088117 /nfs/dbraw/zinc/08/81/17/169088117.db2.gz QGJFWZGDKAGKDM-LLVKDONJSA-N 1 0 193.265 2.510 50 0 AFAARO Fc1ccccc1C[NH+]1CCCCC1 4690414 169088479 /nfs/dbraw/zinc/08/84/79/169088479.db2.gz NGZUDBRHFKCOQN-UHFFFAOYSA-N 1 0 193.265 2.812 50 0 AFAARO Fc1ccccc1[C@@H]1CCCC[NH2+]1 2577403 169088513 /nfs/dbraw/zinc/08/85/13/169088513.db2.gz TVVQOANABUGGFL-NSHDSACASA-N 1 0 179.238 2.640 50 0 in-vitro AFAARO Fc1ccccc1[C@H]1CCCC[NH2+]1 3734626 169088944 /nfs/dbraw/zinc/08/89/44/169088944.db2.gz TVVQOANABUGGFL-LLVKDONJSA-N 1 0 179.238 2.640 50 0 in-vitro AFAARO NC(=[NH2+])CCCc1ccccc1Cl 14808270 169136829 /nfs/dbraw/zinc/13/68/29/169136829.db2.gz CVXIRBGXSLLZJZ-UHFFFAOYSA-N 1 0 196.681 2.599 50 0 AFAARO NC(=[NH2+])c1ccc(-c2ccccc2)cc1 1437952 169139082 /nfs/dbraw/zinc/13/90/82/169139082.db2.gz VHEYCTCATJSAAI-UHFFFAOYSA-N 1 0 196.253 2.638 50 0 AFAARO [NH2+]=C(NCc1ccco1)C1CCCC1 62988206 169142435 /nfs/dbraw/zinc/14/24/35/169142435.db2.gz OXTQDUFGYFPEBW-UHFFFAOYSA-N 1 0 192.262 2.537 50 0 AFAARO N=C(Nc1ccccc1)c1cccnc1 31561586 169143812 /nfs/dbraw/zinc/14/38/12/169143812.db2.gz MNHNNNQQPRPXDW-UHFFFAOYSA-N 1 0 197.241 2.519 50 0 AFAARO [NH2+]=C1Nc2cccc3cccc1c23 3015469 169144421 /nfs/dbraw/zinc/14/44/21/169144421.db2.gz SAFJOJPQROXNBY-UHFFFAOYSA-N 1 0 168.199 2.591 50 0 AFAARO [NH2+]=Cc1c(O)ccc2ccccc12 4546662 169145018 /nfs/dbraw/zinc/14/50/18/169145018.db2.gz ZNULUGOEZRSLQL-UHFFFAOYSA-N 1 0 171.199 2.543 50 0 AFAARO [NH3+]C1(CC2CC2)CCC(F)(F)CC1 83351134 169169053 /nfs/dbraw/zinc/16/90/53/169169053.db2.gz CKSDHGMZXMXRKV-UHFFFAOYSA-N 1 0 189.249 2.693 50 0 AFAARO [NH3+]C1(C23CC4CC(CC(C4)C2)C3)CC1 38312682 169169599 /nfs/dbraw/zinc/16/95/99/169169599.db2.gz POZBPBJYBOCXKL-UHFFFAOYSA-N 1 0 191.318 2.694 50 0 AFAARO [NH3+]C1(c2ccccc2)CCCCC1 1718765 169169992 /nfs/dbraw/zinc/16/99/92/169169992.db2.gz RGZGRPPQZUQUCR-UHFFFAOYSA-N 1 0 175.275 2.805 50 0 in-man AFAARO [NH3+]C1(c2cc(Cl)ccc2F)CCC1 75934036 169170001 /nfs/dbraw/zinc/17/00/01/169170001.db2.gz VWXOBYBXNDBBRM-UHFFFAOYSA-N 1 0 199.656 2.817 50 0 AFAARO [NH3+]C1(Cc2ccccc2)CCCC1 3621199 169170069 /nfs/dbraw/zinc/17/00/69/169170069.db2.gz URKHBZBSRIUODL-UHFFFAOYSA-N 1 0 175.275 2.501 50 0 in-vitro AFAARO [NH3+]C1(Cc2ccc(Cl)cc2)CCC1 16764304 169170077 /nfs/dbraw/zinc/17/00/77/169170077.db2.gz WOQGGJZUMQXWNG-UHFFFAOYSA-N 1 0 195.693 2.764 50 0 AFAARO [NH3+]C1CC(c2ccccc2Cl)C1 36840684 169171826 /nfs/dbraw/zinc/17/18/26/169171826.db2.gz SSRHWVLCHOELCJ-UHFFFAOYSA-N 1 0 181.666 2.545 50 0 in-vitro AFAARO [NH3+]C1CC(c2cccc(Cl)c2)C1 36840695 169171854 /nfs/dbraw/zinc/17/18/54/169171854.db2.gz CJAGMOBAPVWUER-UHFFFAOYSA-N 1 0 181.666 2.545 50 0 in-vitro AFAARO [NH3+]C1CCC(c2ccc(F)cc2)CC1 71506381 169171932 /nfs/dbraw/zinc/17/19/32/169171932.db2.gz GHIWHKYACNCFFY-UHFFFAOYSA-N 1 0 193.265 2.811 50 0 in-vitro AFAARO [NH3+]C1CC(c2ccc(F)c(Cl)c2)C1 87199522 169172286 /nfs/dbraw/zinc/17/22/86/169172286.db2.gz FSMRURMJWBDLAZ-UHFFFAOYSA-N 1 0 199.656 2.684 50 0 AFAARO [NH3+]C1CCC(c2ccccc2)CC1 2035756 169172688 /nfs/dbraw/zinc/17/26/88/169172688.db2.gz SJISCEAZUHNOMD-UHFFFAOYSA-N 1 0 175.275 2.672 50 0 in-vitro AFAARO [NH3+]C1CCC(Cc2ccccc2)CC1 107134208 169172707 /nfs/dbraw/zinc/17/27/07/169172707.db2.gz YDUAJBNFDVNWHE-UHFFFAOYSA-N 1 0 189.302 2.747 50 0 AFAARO [NH3+]C1CCC2(CCCCC2)CC1 34727291 169173759 /nfs/dbraw/zinc/17/37/59/169173759.db2.gz BAERJJQGHJOXHR-UHFFFAOYSA-N 1 0 167.296 2.838 50 0 in-vitro AFAARO [NH3+]C1c2ccccc2-c2ccccc21 1724407 169173864 /nfs/dbraw/zinc/17/38/64/169173864.db2.gz OUGMRQJTULXVDC-UHFFFAOYSA-N 1 0 181.238 2.715 50 0 in-vitro AFAARO [NH3+]C1c2ccccc2Oc2ccccc21 28236236 169174012 /nfs/dbraw/zinc/17/40/12/169174012.db2.gz OTTYHRLXKGOXLY-UHFFFAOYSA-N 1 0 197.237 2.840 50 0 in-vitro AFAARO [NH3+]CCC12CC3CC(CC(C3)C1)C2 3866443 169178799 /nfs/dbraw/zinc/17/87/99/169178799.db2.gz SNJMEUDNDRSJAS-UHFFFAOYSA-N 1 0 179.307 2.552 50 0 in-vitro AFAARO [NH3+]CCC1(c2ccccc2)CCCC1 41204814 169178845 /nfs/dbraw/zinc/17/88/45/169178845.db2.gz MABSABFGTDDOHK-UHFFFAOYSA-N 1 0 189.302 2.847 50 0 AFAARO [NH3+]CCC1CCCCCCC1 19090232 169179080 /nfs/dbraw/zinc/17/90/80/169179080.db2.gz CYLNFXZMOWHGFB-UHFFFAOYSA-N 1 0 155.285 2.696 50 0 in-vitro AFAARO [NH3+]CCCCCCc1ccccc1 6096146 169180754 /nfs/dbraw/zinc/18/07/54/169180754.db2.gz ZSXRNISZKBBQRN-UHFFFAOYSA-N 1 0 177.291 2.748 50 0 in-vitro AFAARO [NH3+]CCCCC1CCCCC1 2566231 169180821 /nfs/dbraw/zinc/18/08/21/169180821.db2.gz NQJLVGQKPMVHTD-UHFFFAOYSA-N 1 0 155.285 2.696 50 0 in-vitro AFAARO [NH3+]CCCCCCOc1ccccc1 70622017 169181103 /nfs/dbraw/zinc/18/11/03/169181103.db2.gz DCAYAQYLHBHPAS-UHFFFAOYSA-N 1 0 193.290 2.585 50 0 AFAARO [NH3+]CCCC12CC3CC(CC(C3)C1)C2 2010759 169181453 /nfs/dbraw/zinc/18/14/53/169181453.db2.gz HNXIGOCDOCHMQV-UHFFFAOYSA-N 1 0 193.334 2.942 50 0 AFAARO [NH3+]CCCCc1ccccc1Cl 11596951 169182111 /nfs/dbraw/zinc/18/21/11/169182111.db2.gz FOMJRFUCKUESEE-UHFFFAOYSA-N 1 0 183.682 2.621 50 0 in-vitro AFAARO [NH3+]CCCCc1ccc(Cl)cc1 11596956 169182608 /nfs/dbraw/zinc/18/26/08/169182608.db2.gz DBRKOJIBBAJAII-UHFFFAOYSA-N 1 0 183.682 2.621 50 0 AFAARO [NH3+]CCCCc1cccc(Cl)c1 11596955 169182779 /nfs/dbraw/zinc/18/27/79/169182779.db2.gz TUCKGJZYCMYNAP-UHFFFAOYSA-N 1 0 183.682 2.621 50 0 in-vitro AFAARO [NH3+]CCCCc1ccc(Cl)s1 36156566 169183074 /nfs/dbraw/zinc/18/30/74/169183074.db2.gz TURFELNEHAJUBG-UHFFFAOYSA-N 1 0 189.711 2.683 50 0 in-vitro AFAARO [NH3+]CCCc1cccc2ccccc12 35321575 169186232 /nfs/dbraw/zinc/18/62/32/169186232.db2.gz XSNSJJCXHBHYNS-UHFFFAOYSA-N 1 0 185.270 2.731 50 0 in-vitro AFAARO [NH3+]CC[C@@H](c1ccccc1)C1CC1 11629569 169193520 /nfs/dbraw/zinc/19/35/20/169193520.db2.gz MWBBHONRMGNKFE-LBPRGKRZSA-N 1 0 175.275 2.529 50 0 AFAARO [NH3+]CC[C@H](c1ccccc1)C1CC1 11629568 169195641 /nfs/dbraw/zinc/19/56/41/169195641.db2.gz MWBBHONRMGNKFE-GFCCVEGCSA-N 1 0 175.275 2.529 50 0 AFAARO [NH3+]CCc1cccc(-c2ccccc2)c1 33427065 169197536 /nfs/dbraw/zinc/19/75/36/169197536.db2.gz IZSWCUFTYSKCIO-UHFFFAOYSA-N 1 0 197.281 2.855 50 0 AFAARO [NH3+]CCc1ccc(-c2ccccc2)cc1 1592607 169198117 /nfs/dbraw/zinc/19/81/17/169198117.db2.gz WHPLBPSDTIZFSX-UHFFFAOYSA-N 1 0 197.281 2.855 50 0 in-vitro AFAARO [NH3+]CCc1coc2ccc(Cl)cc12 82637605 169198613 /nfs/dbraw/zinc/19/86/13/169198613.db2.gz MBVDWBUBGWEWOX-UHFFFAOYSA-N 1 0 195.649 2.587 50 0 AFAARO [NH3+]C[C@@H](c1ccccc1)C1CCC1 19726218 169205960 /nfs/dbraw/zinc/20/59/60/169205960.db2.gz RMOURVVMAJAXGD-LBPRGKRZSA-N 1 0 175.275 2.529 50 0 AFAARO [NH3+]C[C@@H](c1ccc(Cl)cc1)C1CC1 19726190 169206323 /nfs/dbraw/zinc/20/63/23/169206323.db2.gz FFHOVLBOLZUYQE-LLVKDONJSA-N 1 0 195.693 2.792 50 0 AFAARO [NH3+]C[C@@H]1CCCC[C@@H]1c1ccccc1 59714350 169206602 /nfs/dbraw/zinc/20/66/02/169206602.db2.gz KTGOIKRSPMISTP-QWHCGFSZSA-N 1 0 189.302 2.919 50 0 AFAARO [NH3+]C[C@@H](c1ccccc1)C1CCCC1 12375975 169206722 /nfs/dbraw/zinc/20/67/22/169206722.db2.gz NHWNEYSOKMSPAK-ZDUSSCGKSA-N 1 0 189.302 2.919 50 0 in-vitro AFAARO [NH3+]C[C@@H]1CCC[C@@H]1c1ccccc1 87939792 169207730 /nfs/dbraw/zinc/20/77/30/169207730.db2.gz RNJAXIVPJQBLBF-NWDGAFQWSA-N 1 0 175.275 2.529 50 0 AFAARO [NH3+]C[C@@H]1CCC[C@H]1c1ccccc1 87939790 169207746 /nfs/dbraw/zinc/20/77/46/169207746.db2.gz RNJAXIVPJQBLBF-RYUDHWBXSA-N 1 0 175.275 2.529 50 0 AFAARO [NH3+]C[C@@H]1CCCC[C@H]1c1ccccc1 59714348 169208256 /nfs/dbraw/zinc/20/82/56/169208256.db2.gz KTGOIKRSPMISTP-STQMWFEESA-N 1 0 189.302 2.919 50 0 AFAARO [NH3+]C[C@@H]1CCCc2ccc(Cl)cc21 41207224 169208353 /nfs/dbraw/zinc/20/83/53/169208353.db2.gz YKHDSPKECPKABG-VIFPVBQESA-N 1 0 195.693 2.719 50 0 AFAARO [NH3+]C[C@@H]1CC[C@@H](c2ccccc2)C1 71496907 169209611 /nfs/dbraw/zinc/20/96/11/169209611.db2.gz ARQITJXMBWHLFZ-ZYHUDNBSSA-N 1 0 175.275 2.529 50 0 AFAARO [NH3+]C[C@@H]1CC[C@H](c2ccccc2)C1 71496908 169209671 /nfs/dbraw/zinc/20/96/71/169209671.db2.gz ARQITJXMBWHLFZ-PWSUYJOCSA-N 1 0 175.275 2.529 50 0 AFAARO [NH3+]C[C@H](c1ccccc1)C1CCC1 19726217 169213931 /nfs/dbraw/zinc/21/39/31/169213931.db2.gz RMOURVVMAJAXGD-GFCCVEGCSA-N 1 0 175.275 2.529 50 0 AFAARO [NH3+]C[C@H](c1ccccc1)C1CCCC1 12375974 169214384 /nfs/dbraw/zinc/21/43/84/169214384.db2.gz NHWNEYSOKMSPAK-CYBMUJFWSA-N 1 0 189.302 2.919 50 0 in-vitro AFAARO [NH3+]C[C@H](c1ccc(Cl)cc1)C1CC1 19726189 169214469 /nfs/dbraw/zinc/21/44/69/169214469.db2.gz FFHOVLBOLZUYQE-NSHDSACASA-N 1 0 195.693 2.792 50 0 AFAARO [NH3+]C[C@H]1CCCC[C@H]1c1ccccc1 59714340 169214887 /nfs/dbraw/zinc/21/48/87/169214887.db2.gz KTGOIKRSPMISTP-OLZOCXBDSA-N 1 0 189.302 2.919 50 0 AFAARO [NH3+]C[C@H]1CCCC[C@@H]1c1ccccc1 59714344 169215583 /nfs/dbraw/zinc/21/55/83/169215583.db2.gz KTGOIKRSPMISTP-CHWSQXEVSA-N 1 0 189.302 2.919 50 0 AFAARO [NH3+]C[C@H]1CCCc2ccc(Cl)cc21 41207225 169215986 /nfs/dbraw/zinc/21/59/86/169215986.db2.gz YKHDSPKECPKABG-SECBINFHSA-N 1 0 195.693 2.719 50 0 AFAARO [NH3+]C[C@H]1CCC[C@@H]1c1ccccc1 87939786 169216089 /nfs/dbraw/zinc/21/60/89/169216089.db2.gz RNJAXIVPJQBLBF-VXGBXAGGSA-N 1 0 175.275 2.529 50 0 AFAARO [NH3+]C[C@H]1CC[C@@H](c2ccccc2)C1 71496903 169216164 /nfs/dbraw/zinc/21/61/64/169216164.db2.gz ARQITJXMBWHLFZ-CMPLNLGQSA-N 1 0 175.275 2.529 50 0 AFAARO [NH3+]C[C@H]1CCC[C@H]1c1ccccc1 87939784 169216482 /nfs/dbraw/zinc/21/64/82/169216482.db2.gz RNJAXIVPJQBLBF-NEPJUHHUSA-N 1 0 175.275 2.529 50 0 AFAARO [NH3+]Cc1c(F)cc(Cl)cc1Cl 148012710 169219348 /nfs/dbraw/zinc/21/93/48/169219348.db2.gz QPZDTJTYUUNPBC-UHFFFAOYSA-N 1 0 194.036 2.591 50 0 in-vitro AFAARO [NH3+]Cc1c(Cl)ccc(Cl)c1F 38529763 169219558 /nfs/dbraw/zinc/21/95/58/169219558.db2.gz CSAKSJHNYMDUQJ-UHFFFAOYSA-N 1 0 194.036 2.591 50 0 AFAARO [NH3+]Cc1cc(Cl)sc1Cl 69803416 169220070 /nfs/dbraw/zinc/22/00/70/169220070.db2.gz MVXIAAYWZREIRT-UHFFFAOYSA-N 1 0 182.075 2.514 50 0 in-vitro AFAARO [NH3+]Cc1cc(F)cc(Cl)c1Cl 263623508 169220092 /nfs/dbraw/zinc/22/00/92/169220092.db2.gz ICKDSBDDPUGBCW-UHFFFAOYSA-N 1 0 194.036 2.591 50 0 AFAARO [NH3+]Cc1cc(F)c(Cl)cc1Cl 12359245 169220988 /nfs/dbraw/zinc/22/09/88/169220988.db2.gz SPMPPFHZFBBNHR-UHFFFAOYSA-N 1 0 194.036 2.591 50 0 AFAARO [NH3+]Cc1cc(Cl)cc(Cl)c1F 75915298 169221127 /nfs/dbraw/zinc/22/11/27/169221127.db2.gz HILZDSSANACEJV-UHFFFAOYSA-N 1 0 194.036 2.591 50 0 AFAARO [NH3+]Cc1cc(F)c(Cl)c(Cl)c1 263625035 169221169 /nfs/dbraw/zinc/22/11/69/169221169.db2.gz WEXCRFQCEZKRHF-UHFFFAOYSA-N 1 0 194.036 2.591 50 0 AFAARO [NH3+]Cc1ccc(-c2ccc(O)cc2)cc1 12505451 169221804 /nfs/dbraw/zinc/22/18/04/169221804.db2.gz QVCDBOQTJPSXRP-UHFFFAOYSA-N 1 0 199.253 2.518 50 0 AFAARO [NH3+]Cc1ccc(-c2cccs2)s1 158800 169221816 /nfs/dbraw/zinc/22/18/16/169221816.db2.gz FHYTVXBZSXZMGD-UHFFFAOYSA-N 1 0 195.312 2.935 50 0 in-vivo AFAARO [NH3+]Cc1ccc(Cl)c(F)c1Cl 263622984 169221931 /nfs/dbraw/zinc/22/19/31/169221931.db2.gz CQGKUDXCYXWNGT-UHFFFAOYSA-N 1 0 194.036 2.591 50 0 AFAARO [NH3+]Cc1ccc(-c2ccccc2O)cc1 33427222 169221972 /nfs/dbraw/zinc/22/19/72/169221972.db2.gz RVZLNAFRTQWDFX-UHFFFAOYSA-N 1 0 199.253 2.518 50 0 AFAARO [NH3+]Cc1ccc(-c2ccccc2)s1 14949861 169222288 /nfs/dbraw/zinc/22/22/88/169222288.db2.gz PKRPFYKLLXGKDE-UHFFFAOYSA-N 1 0 189.283 2.874 50 0 in-vitro AFAARO [NH3+]Cc1ccc(Cc2ccccc2)cc1 19780096 169222366 /nfs/dbraw/zinc/22/23/66/169222366.db2.gz IRUTVSZVDCXMSO-UHFFFAOYSA-N 1 0 197.281 2.736 50 0 AFAARO [NH3+]Cc1ccc(-c2ccccc2F)o1 11730413 169222394 /nfs/dbraw/zinc/22/23/94/169222394.db2.gz UEVPMXJKUUJSHB-UHFFFAOYSA-N 1 0 191.205 2.544 50 0 AFAARO [NH3+]Cc1ccc(-c2ccccc2)cc1 1594700 169222542 /nfs/dbraw/zinc/22/25/42/169222542.db2.gz RMSPOVPGDBDYKH-UHFFFAOYSA-N 1 0 183.254 2.812 50 0 in-vitro AFAARO [NH3+]Cc1ccc(C(F)F)cc1Cl 107267883 169222599 /nfs/dbraw/zinc/22/25/99/169222599.db2.gz WWQBJFZFKUJZOM-UHFFFAOYSA-N 1 0 191.608 2.736 50 0 AFAARO [NH3+]Cc1ccc(-c2ccsc2)cc1 12370373 169222627 /nfs/dbraw/zinc/22/26/27/169222627.db2.gz QTXFTOUAVPVJMZ-UHFFFAOYSA-N 1 0 189.283 2.874 50 0 in-vitro AFAARO [NH3+]Cc1ccc(-c2cccs2)cc1 158702 169222636 /nfs/dbraw/zinc/22/26/36/169222636.db2.gz YKNLMMDEWQZCLJ-UHFFFAOYSA-N 1 0 189.283 2.874 50 0 in-vivo AFAARO [NH3+]Cc1ccc(-c2ccc(F)cc2)o1 11730398 169222897 /nfs/dbraw/zinc/22/28/97/169222897.db2.gz RPFSMJZOIYNWBT-UHFFFAOYSA-N 1 0 191.205 2.544 50 0 AFAARO [NH3+]Cc1ccc2[nH]c3ccccc3c2c1 11919881 169223128 /nfs/dbraw/zinc/22/31/28/169223128.db2.gz AYZJZUJDZLZKJJ-UHFFFAOYSA-N 1 0 196.253 2.780 50 0 AFAARO [NH3+]Cc1ccc(Oc2ccccc2)cc1 2574345 169223130 /nfs/dbraw/zinc/22/31/30/169223130.db2.gz CCAZAGUSBMVSAR-UHFFFAOYSA-N 1 0 199.253 2.938 50 0 in-vitro AFAARO [NH3+]Cc1cccc(-c2ccsc2)c1 12370364 169224066 /nfs/dbraw/zinc/22/40/66/169224066.db2.gz GBUXQFDNGWGBJH-UHFFFAOYSA-N 1 0 189.283 2.874 50 0 in-vitro AFAARO [NH3+]Cc1ccccc1Oc1ccccc1 12370410 169224111 /nfs/dbraw/zinc/22/41/11/169224111.db2.gz WXCFCNCGPYJALB-UHFFFAOYSA-N 1 0 199.253 2.938 50 0 in-vitro AFAARO [NH3+]Cc1ccccc1-c1ccccc1 1632969 169224168 /nfs/dbraw/zinc/22/41/68/169224168.db2.gz YHXKXVFQHWJYOD-UHFFFAOYSA-N 1 0 183.254 2.812 50 0 in-vivo AFAARO [NH3+]Cc1cccc(-c2cccs2)c1 12370291 169224556 /nfs/dbraw/zinc/22/45/56/169224556.db2.gz PZXHYHVAVDOMOR-UHFFFAOYSA-N 1 0 189.283 2.874 50 0 in-vitro AFAARO [NH3+]Cc1ccccc1-c1cccs1 4277360 169224601 /nfs/dbraw/zinc/22/46/01/169224601.db2.gz XKOHWVPLVRXZHX-UHFFFAOYSA-N 1 0 189.283 2.874 50 0 in-vitro AFAARO [NH3+]Cc1cccc(-c2ccccc2)c1 2562430 169224623 /nfs/dbraw/zinc/22/46/23/169224623.db2.gz WKHABRRJMGVELW-UHFFFAOYSA-N 1 0 183.254 2.812 50 0 in-vitro AFAARO [NH3+]Cc1ccccc1-c1ccsc1 82636334 169224676 /nfs/dbraw/zinc/22/46/76/169224676.db2.gz BBLNZSAKQHEICV-UHFFFAOYSA-N 1 0 189.283 2.874 50 0 AFAARO [NH3+]Cc1cccc(Oc2ccccc2)c1 816350 169224803 /nfs/dbraw/zinc/22/48/03/169224803.db2.gz OWIFNISFRBVGIX-UHFFFAOYSA-N 1 0 199.253 2.938 50 0 in-vitro AFAARO [NH3+]Cc1ccsc1-c1ccccc1 4114031 169225443 /nfs/dbraw/zinc/22/54/43/169225443.db2.gz UHJFBABZCMDIFD-UHFFFAOYSA-N 1 0 189.283 2.874 50 0 AFAARO [NH3+]Cc1coc2c(Cl)cccc12 82874603 169226899 /nfs/dbraw/zinc/22/68/99/169226899.db2.gz WIYRCULWKXTYAQ-UHFFFAOYSA-N 1 0 181.622 2.545 50 0 AFAARO [NH3+]Cc1sccc1-c1ccccc1 338816 169233225 /nfs/dbraw/zinc/23/32/25/169233225.db2.gz QRWDRTOPGKMDME-UHFFFAOYSA-N 1 0 189.283 2.874 50 0 AFAARO [NH3+][C@@H](CC1CC1)c1cccc(F)c1 78677954 169243140 /nfs/dbraw/zinc/24/31/40/169243140.db2.gz QMZSMQKAKFQTBB-NSHDSACASA-N 1 0 179.238 2.626 50 0 AFAARO [NH3+][C@@H](CC1CC1)c1ccc(F)cc1 49729222 169243161 /nfs/dbraw/zinc/24/31/61/169243161.db2.gz VPJZNTCBXCDHFF-NSHDSACASA-N 1 0 179.238 2.626 50 0 AFAARO [NH3+][C@@H](CC1CC1)c1ccccc1F 78678105 169243423 /nfs/dbraw/zinc/24/34/23/169243423.db2.gz OAGSFFHETKZZBJ-NSHDSACASA-N 1 0 179.238 2.626 50 0 AFAARO [NH3+][C@@H](CC1CCC1)c1ccccc1 83841017 169243548 /nfs/dbraw/zinc/24/35/48/169243548.db2.gz NONUKKBEZAIXNH-LBPRGKRZSA-N 1 0 175.275 2.877 50 0 in-vitro AFAARO [NH3+][C@@H](CC(F)(F)F)c1ccccc1 19414089 169243603 /nfs/dbraw/zinc/24/36/03/169243603.db2.gz KBXXAXKUJGFVHY-QMMMGPOBSA-N 1 0 189.180 2.639 50 0 in-vitro AFAARO [NH3+][C@@H](Cc1ccccc1)C1CCCC1 32008193 169247042 /nfs/dbraw/zinc/24/70/42/169247042.db2.gz HFYGDTFACFGSDK-ZDUSSCGKSA-N 1 0 189.302 2.747 50 0 in-vitro AFAARO [NH3+][C@@H](Cc1ccccc1)c1ccccc1 1236880 169247087 /nfs/dbraw/zinc/24/70/87/169247087.db2.gz DTGGNTMERRTPLR-AWEZNQCLSA-N 1 0 197.281 2.929 50 0 in-vitro AFAARO [NH3+][C@@H](Cc1ccccc1)c1ccco1 11601911 169247672 /nfs/dbraw/zinc/24/76/72/169247672.db2.gz OFRPSIPXXNUCPX-NSHDSACASA-N 1 0 187.242 2.522 50 0 AFAARO [NH3+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 70621797 169249174 /nfs/dbraw/zinc/24/91/74/169249174.db2.gz QKIRGCBPXLGIMR-SNVBAGLBSA-N 1 0 199.656 2.889 50 0 AFAARO [NH3+][C@@H](c1ccccc1F)C1CCC1 83121621 169249210 /nfs/dbraw/zinc/24/92/10/169249210.db2.gz YJFHXADLILVEPX-LLVKDONJSA-N 1 0 179.238 2.626 50 0 AFAARO [NH3+][C@@H](c1ccccc1)c1cccs1 4206338 169249577 /nfs/dbraw/zinc/24/95/77/169249577.db2.gz MUAFFFYJFXPGHN-NSHDSACASA-N 1 0 189.283 2.796 50 0 in-vitro AFAARO [NH3+][C@@H](c1cccnc1)C1CCCCC1 37466358 169249593 /nfs/dbraw/zinc/24/95/93/169249593.db2.gz MGAMAQSNSVZIEY-GFCCVEGCSA-N 1 0 190.290 2.662 50 0 in-vitro AFAARO [NH3+][C@@H](c1ccc(F)cc1)C1CCC1 19421398 169249696 /nfs/dbraw/zinc/24/96/96/169249696.db2.gz URHZIKVJKQVHEV-LLVKDONJSA-N 1 0 179.238 2.626 50 0 in-vitro AFAARO [NH3+][C@@H](c1cccs1)C1CCCC1 19841913 169249911 /nfs/dbraw/zinc/24/99/11/169249911.db2.gz GPWCODZLSPGVCR-SNVBAGLBSA-N 1 0 181.304 2.938 50 0 AFAARO [NH3+][C@@H](c1ccc(Cl)cc1)C1CC1 3378490 169249964 /nfs/dbraw/zinc/24/99/64/169249964.db2.gz VOLXFYJGXYAYQP-SNVBAGLBSA-N 1 0 181.666 2.750 50 0 in-vitro AFAARO [NH3+][C@@H](c1ccccc1)C1CCCC1 19421091 169249995 /nfs/dbraw/zinc/24/99/95/169249995.db2.gz PLNFMVFGDNZPJI-LBPRGKRZSA-N 1 0 175.275 2.877 50 0 in-vitro AFAARO [NH3+][C@@H](c1cc2ccccc2o1)C1CC1 62152051 169250023 /nfs/dbraw/zinc/25/00/23/169250023.db2.gz TYOXHAPCASBZJK-GFCCVEGCSA-N 1 0 187.242 2.843 50 0 in-vitro AFAARO [NH3+][C@@H](c1cccc(F)c1)C1CCC1 83121382 169250053 /nfs/dbraw/zinc/25/00/53/169250053.db2.gz WYAWCLOFRPRETF-LLVKDONJSA-N 1 0 179.238 2.626 50 0 AFAARO [NH3+][C@@H]1CC=C(c2ccccc2)CC1 33755328 169250629 /nfs/dbraw/zinc/25/06/29/169250629.db2.gz FNYUULMCDRLBIY-GFCCVEGCSA-N 1 0 173.259 2.581 50 0 in-vitro AFAARO [NH3+][C@@H]1CC=C(c2ccc(F)cc2)CC1 95218384 169250970 /nfs/dbraw/zinc/25/09/70/169250970.db2.gz IVMGXSYYGUULSR-GFCCVEGCSA-N 1 0 191.249 2.720 50 0 in-vitro AFAARO [NH3+][C@@H]1CCCC2(CCCCC2)C1 76596335 169251069 /nfs/dbraw/zinc/25/10/69/169251069.db2.gz KCGFNQXJENWZMG-SNVBAGLBSA-N 1 0 167.296 2.838 50 0 AFAARO [NH3+][C@@H]1CCCOc2c(Cl)cccc21 36926611 169251574 /nfs/dbraw/zinc/25/15/74/169251574.db2.gz DYZOLKINGZEDSH-SECBINFHSA-N 1 0 197.665 2.512 50 0 in-vitro AFAARO [NH3+][C@@H]1CCCC[C@H]1Cc1ccccc1 13495677 169251684 /nfs/dbraw/zinc/25/16/84/169251684.db2.gz YOPIHDSNQOMRGC-QWHCGFSZSA-N 1 0 189.302 2.747 50 0 AFAARO [NH3+][C@@H]1CCCC[C@H]1c1ccccc1 31562025 169251736 /nfs/dbraw/zinc/25/17/36/169251736.db2.gz KLJIPLWGNJQJRM-NWDGAFQWSA-N 1 0 175.275 2.672 50 0 in-vitro AFAARO [NH3+][C@@H]1CCCC[C@@H]1c1ccccc1 31598486 169251890 /nfs/dbraw/zinc/25/18/90/169251890.db2.gz KLJIPLWGNJQJRM-VXGBXAGGSA-N 1 0 175.275 2.672 50 0 in-vitro AFAARO [NH3+][C@@H]1CCCOc2cc(Cl)ccc21 5844490 169252239 /nfs/dbraw/zinc/25/22/39/169252239.db2.gz AJOUGIAPSIVVMD-SECBINFHSA-N 1 0 197.665 2.512 50 0 AFAARO [NH3+][C@@H]1CCCC[C@@H]1Cc1ccccc1 6780126 169252561 /nfs/dbraw/zinc/25/25/61/169252561.db2.gz YOPIHDSNQOMRGC-CHWSQXEVSA-N 1 0 189.302 2.747 50 0 AFAARO [NH3+][C@@H]1CCC[C@@H](c2ccccc2)C1 33641063 169252677 /nfs/dbraw/zinc/25/26/77/169252677.db2.gz CJRUDCMOPMVAIB-VXGBXAGGSA-N 1 0 175.275 2.672 50 0 in-vitro AFAARO [NH3+][C@@H]1CCC[C@H](c2ccccc2)C1 31562027 169252686 /nfs/dbraw/zinc/25/26/86/169252686.db2.gz CJRUDCMOPMVAIB-NWDGAFQWSA-N 1 0 175.275 2.672 50 0 in-vitro AFAARO [NH3+][C@@H]1CCCc2c(F)cc(Cl)cc21 238600381 169252724 /nfs/dbraw/zinc/25/27/24/169252724.db2.gz YIXVWVJASOXRJT-SNVBAGLBSA-N 1 0 199.656 2.815 50 0 AFAARO [NH3+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1 60713980 169252821 /nfs/dbraw/zinc/25/28/21/169252821.db2.gz FZLUIZGAVYVQEG-WDEREUQCSA-N 1 0 195.693 2.935 50 0 AFAARO [NH3+][C@@H]1CCCc2c(Cl)cccc21 8699648 169252947 /nfs/dbraw/zinc/25/29/47/169252947.db2.gz MPNOKRDWQNPAID-SNVBAGLBSA-N 1 0 181.666 2.676 50 0 AFAARO [NH3+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 38235103 169252952 /nfs/dbraw/zinc/25/29/52/169252952.db2.gz FZLUIZGAVYVQEG-GHMZBOCLSA-N 1 0 195.693 2.935 50 0 AFAARO [NH3+][C@@H]1CCC[C@H]1CCc1ccccc1 22129974 169253006 /nfs/dbraw/zinc/25/30/06/169253006.db2.gz IHXFUYTXTVDHIK-QWHCGFSZSA-N 1 0 189.302 2.747 50 0 AFAARO [NH3+][C@@H]1CCCc2c1[nH]c1ccccc21 14987886 169253074 /nfs/dbraw/zinc/25/30/74/169253074.db2.gz QRSCMXFSQFZBMB-SNVBAGLBSA-N 1 0 186.258 2.504 50 0 in-vitro AFAARO [NH3+][C@@H]1CCC[C@@H]1c1ccccc1Cl 60714290 169253179 /nfs/dbraw/zinc/25/31/79/169253179.db2.gz GNPPIVFFQGMMCI-MWLCHTKSSA-N 1 0 195.693 2.935 50 0 in-vitro AFAARO [NH3+][C@@H]1CCC[C@H]1c1ccccc1Cl 60714285 169253183 /nfs/dbraw/zinc/25/31/83/169253183.db2.gz GNPPIVFFQGMMCI-GXSJLCMTSA-N 1 0 195.693 2.935 50 0 in-vitro AFAARO [NH3+][C@@H]1CCCc2sc(Cl)cc21 60076813 169253216 /nfs/dbraw/zinc/25/32/16/169253216.db2.gz ZBRYZWSSXVHDNF-ZCFIWIBFSA-N 1 0 187.695 2.738 50 0 in-vitro AFAARO [NH3+][C@@H]1CCC[C@@H]1CCc1ccccc1 6780122 169253536 /nfs/dbraw/zinc/25/35/36/169253536.db2.gz IHXFUYTXTVDHIK-CHWSQXEVSA-N 1 0 189.302 2.747 50 0 AFAARO [NH3+][C@@H]1CCCc2ccc(Cl)cc21 8699637 169253590 /nfs/dbraw/zinc/25/35/90/169253590.db2.gz JKGNIZNLBBLURY-SNVBAGLBSA-N 1 0 181.666 2.676 50 0 in-vitro AFAARO [NH3+][C@@H]1CCCc2cc(Cl)ccc21 95786734 169253619 /nfs/dbraw/zinc/25/36/19/169253619.db2.gz MBBWLMFFVWVGIC-SNVBAGLBSA-N 1 0 181.666 2.676 50 0 AFAARO [NH3+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 57489838 169255414 /nfs/dbraw/zinc/25/54/14/169255414.db2.gz SQVBYSXOQRNRRS-MWLCHTKSSA-N 1 0 195.693 2.935 50 0 AFAARO [NH3+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 57489841 169255528 /nfs/dbraw/zinc/25/55/28/169255528.db2.gz SQVBYSXOQRNRRS-GXSJLCMTSA-N 1 0 195.693 2.935 50 0 AFAARO [NH3+][C@@H]1CC[C@H]1c1ccccc1Cl 68575789 169255686 /nfs/dbraw/zinc/25/56/86/169255686.db2.gz LHHIHKIVABTZCO-WCBMZHEXSA-N 1 0 181.666 2.545 50 0 in-vitro AFAARO [NH3+][C@@H]1CCSc2ccc(Cl)cc21 4218946 169255740 /nfs/dbraw/zinc/25/57/40/169255740.db2.gz WVOPBIDNAGCFIJ-MRVPVSSYSA-N 1 0 199.706 2.836 50 0 in-vitro AFAARO [NH3+][C@@H]1CC[C@@H]1c1ccccc1Cl 68575791 169255903 /nfs/dbraw/zinc/25/59/03/169255903.db2.gz LHHIHKIVABTZCO-PSASIEDQSA-N 1 0 181.666 2.545 50 0 in-vitro AFAARO [NH3+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 57489851 169256038 /nfs/dbraw/zinc/25/60/38/169256038.db2.gz VLWUANCHXYIWIX-GXSJLCMTSA-N 1 0 195.693 2.935 50 0 AFAARO [NH3+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 57489847 169256112 /nfs/dbraw/zinc/25/61/12/169256112.db2.gz VLWUANCHXYIWIX-MWLCHTKSSA-N 1 0 195.693 2.935 50 0 AFAARO [NH3+][C@@H]1C[C@@H]2CCCc3cccc1c32 82617992 169257865 /nfs/dbraw/zinc/25/78/65/169257865.db2.gz HUZDSOAKGQNGOR-GXSJLCMTSA-N 1 0 173.259 2.510 50 0 in-vitro AFAARO [NH3+][C@@H]1C[C@H]1c1ccc2ccccc2c1 37381318 169259643 /nfs/dbraw/zinc/25/96/43/169259643.db2.gz FLKVLOCMGKAHPS-QWHCGFSZSA-N 1 0 183.254 2.654 50 0 AFAARO [NH3+][C@@H]1C[C@H]2CCCc3cccc1c32 82617994 169259680 /nfs/dbraw/zinc/25/96/80/169259680.db2.gz HUZDSOAKGQNGOR-MWLCHTKSSA-N 1 0 173.259 2.510 50 0 in-vitro AFAARO [NH3+][C@@H]1C[C@H]1c1cccc2ccccc12 29046428 169260252 /nfs/dbraw/zinc/26/02/52/169260252.db2.gz QSBCZQISIPLNNT-QWHCGFSZSA-N 1 0 183.254 2.654 50 0 AFAARO [NH3+][C@H](CC1CC1)c1ccccc1F 78678103 169263152 /nfs/dbraw/zinc/26/31/52/169263152.db2.gz OAGSFFHETKZZBJ-LLVKDONJSA-N 1 0 179.238 2.626 50 0 AFAARO [NH3+][C@H](CC1CC1)c1cccc(F)c1 78677949 169263267 /nfs/dbraw/zinc/26/32/67/169263267.db2.gz QMZSMQKAKFQTBB-LLVKDONJSA-N 1 0 179.238 2.626 50 0 AFAARO [NH3+][C@H](CC1CC1)c1ccc(F)cc1 49729220 169263677 /nfs/dbraw/zinc/26/36/77/169263677.db2.gz VPJZNTCBXCDHFF-LLVKDONJSA-N 1 0 179.238 2.626 50 0 AFAARO [NH3+][C@H](CC1CCC1)c1ccccc1 83841016 169263781 /nfs/dbraw/zinc/26/37/81/169263781.db2.gz NONUKKBEZAIXNH-GFCCVEGCSA-N 1 0 175.275 2.877 50 0 in-vitro AFAARO [NH3+][C@H](CC(F)(F)F)c1ccccc1 19414091 169264298 /nfs/dbraw/zinc/26/42/98/169264298.db2.gz KBXXAXKUJGFVHY-MRVPVSSYSA-N 1 0 189.180 2.639 50 0 in-vitro AFAARO [NH3+][C@H](Cc1ccccc1)c1ccccc1 1236881 169267656 /nfs/dbraw/zinc/26/76/56/169267656.db2.gz DTGGNTMERRTPLR-CQSZACIVSA-N 1 0 197.281 2.929 50 0 in-vitro AFAARO [NH3+][C@H](Cc1ccccc1)C1CCCC1 32008195 169267791 /nfs/dbraw/zinc/26/77/91/169267791.db2.gz HFYGDTFACFGSDK-CYBMUJFWSA-N 1 0 189.302 2.747 50 0 in-vitro AFAARO [NH3+][C@H](Cc1ccccc1)c1ccco1 11601914 169268144 /nfs/dbraw/zinc/26/81/44/169268144.db2.gz OFRPSIPXXNUCPX-LLVKDONJSA-N 1 0 187.242 2.522 50 0 AFAARO [NH3+][C@H](c1cccnc1)C1CCCCC1 37466360 169269054 /nfs/dbraw/zinc/26/90/54/169269054.db2.gz MGAMAQSNSVZIEY-LBPRGKRZSA-N 1 0 190.290 2.662 50 0 in-vitro AFAARO [NH3+][C@H](c1ccc(Cl)cc1)C1CC1 3378492 169269236 /nfs/dbraw/zinc/26/92/36/169269236.db2.gz VOLXFYJGXYAYQP-JTQLQIEISA-N 1 0 181.666 2.750 50 0 in-vitro AFAARO [NH3+][C@H](c1ccccc1F)C1CCC1 83121623 169269300 /nfs/dbraw/zinc/26/93/00/169269300.db2.gz YJFHXADLILVEPX-NSHDSACASA-N 1 0 179.238 2.626 50 0 AFAARO [NH3+][C@H](c1ccc(F)c(Cl)c1)C1CC1 70621798 169269576 /nfs/dbraw/zinc/26/95/76/169269576.db2.gz QKIRGCBPXLGIMR-JTQLQIEISA-N 1 0 199.656 2.889 50 0 AFAARO [NH3+][C@H](c1cccs1)C1CCCC1 19841911 169269689 /nfs/dbraw/zinc/26/96/89/169269689.db2.gz GPWCODZLSPGVCR-JTQLQIEISA-N 1 0 181.304 2.938 50 0 AFAARO [NH3+][C@H](c1ccccc1)C1CCCC1 19421089 169270076 /nfs/dbraw/zinc/27/00/76/169270076.db2.gz PLNFMVFGDNZPJI-GFCCVEGCSA-N 1 0 175.275 2.877 50 0 in-vitro AFAARO [NH3+][C@H](c1cc2ccccc2o1)C1CC1 62152052 169270129 /nfs/dbraw/zinc/27/01/29/169270129.db2.gz TYOXHAPCASBZJK-LBPRGKRZSA-N 1 0 187.242 2.843 50 0 in-vitro AFAARO [NH3+][C@H](c1ccccc1)c1cccs1 1580212 169270189 /nfs/dbraw/zinc/27/01/89/169270189.db2.gz MUAFFFYJFXPGHN-LLVKDONJSA-N 1 0 189.283 2.796 50 0 in-vitro AFAARO [NH3+][C@H](c1cccc(F)c1)C1CCC1 83121384 169270241 /nfs/dbraw/zinc/27/02/41/169270241.db2.gz WYAWCLOFRPRETF-NSHDSACASA-N 1 0 179.238 2.626 50 0 AFAARO [NH3+][C@H](c1ccc(F)cc1)C1CCC1 19421396 169270338 /nfs/dbraw/zinc/27/03/38/169270338.db2.gz URHZIKVJKQVHEV-NSHDSACASA-N 1 0 179.238 2.626 50 0 in-vitro AFAARO [NH3+][C@H]1CC=C(c2ccccc2)CC1 33755327 169270718 /nfs/dbraw/zinc/27/07/18/169270718.db2.gz FNYUULMCDRLBIY-LBPRGKRZSA-N 1 0 173.259 2.581 50 0 in-vitro AFAARO [NH3+][C@H]1CC=C(c2ccc(F)cc2)CC1 95218383 169271412 /nfs/dbraw/zinc/27/14/12/169271412.db2.gz IVMGXSYYGUULSR-LBPRGKRZSA-N 1 0 191.249 2.720 50 0 in-vitro AFAARO [NH3+][C@H]1CCCC[C@H]1Cc1ccccc1 13495678 169271734 /nfs/dbraw/zinc/27/17/34/169271734.db2.gz YOPIHDSNQOMRGC-STQMWFEESA-N 1 0 189.302 2.747 50 0 AFAARO [NH3+][C@H]1CCCC[C@H]1c1ccccc1 3602483 169271772 /nfs/dbraw/zinc/27/17/72/169271772.db2.gz KLJIPLWGNJQJRM-RYUDHWBXSA-N 1 0 175.275 2.672 50 0 in-vitro AFAARO [NH3+][C@H]1CCCC2(CCCCC2)C1 76596333 169272088 /nfs/dbraw/zinc/27/20/88/169272088.db2.gz KCGFNQXJENWZMG-JTQLQIEISA-N 1 0 167.296 2.838 50 0 AFAARO [NH3+][C@H]1CCCC[C@@H]1c1ccccc1 3602481 169272283 /nfs/dbraw/zinc/27/22/83/169272283.db2.gz KLJIPLWGNJQJRM-NEPJUHHUSA-N 1 0 175.275 2.672 50 0 in-vitro AFAARO [NH3+][C@H]1CCCC[C@@H]1Cc1ccccc1 13495675 169272289 /nfs/dbraw/zinc/27/22/89/169272289.db2.gz YOPIHDSNQOMRGC-OLZOCXBDSA-N 1 0 189.302 2.747 50 0 AFAARO [NH3+][C@H]1CCCOc2cc(Cl)ccc21 2008059 169273031 /nfs/dbraw/zinc/27/30/31/169273031.db2.gz AJOUGIAPSIVVMD-VIFPVBQESA-N 1 0 197.665 2.512 50 0 AFAARO [NH3+][C@H]1CCC[C@@H]1c1ccccc1Cl 60714283 169273096 /nfs/dbraw/zinc/27/30/96/169273096.db2.gz GNPPIVFFQGMMCI-KOLCDFICSA-N 1 0 195.693 2.935 50 0 in-vitro AFAARO [NH3+][C@H]1CCC[C@H]1CCc1ccccc1 22129975 169273187 /nfs/dbraw/zinc/27/31/87/169273187.db2.gz IHXFUYTXTVDHIK-STQMWFEESA-N 1 0 189.302 2.747 50 0 AFAARO [NH3+][C@H]1CCC[C@@H](c2ccccc2)C1 3622366 169273327 /nfs/dbraw/zinc/27/33/27/169273327.db2.gz CJRUDCMOPMVAIB-NEPJUHHUSA-N 1 0 175.275 2.672 50 0 in-vitro AFAARO [NH3+][C@H]1CCC[C@H](c2ccccc2)C1 33641062 169273369 /nfs/dbraw/zinc/27/33/69/169273369.db2.gz CJRUDCMOPMVAIB-RYUDHWBXSA-N 1 0 175.275 2.672 50 0 in-vitro AFAARO [NH3+][C@H]1CCC[C@@H]1CCc1ccccc1 22129973 169273582 /nfs/dbraw/zinc/27/35/82/169273582.db2.gz IHXFUYTXTVDHIK-OLZOCXBDSA-N 1 0 189.302 2.747 50 0 AFAARO [NH3+][C@H]1CCCc2ccc(Cl)cc21 8699638 169273659 /nfs/dbraw/zinc/27/36/59/169273659.db2.gz JKGNIZNLBBLURY-JTQLQIEISA-N 1 0 181.666 2.676 50 0 AFAARO [NH3+][C@H]1CCC[C@H]1c1ccccc1Cl 60714279 169273689 /nfs/dbraw/zinc/27/36/89/169273689.db2.gz GNPPIVFFQGMMCI-ONGXEEELSA-N 1 0 195.693 2.935 50 0 in-vitro AFAARO [NH3+][C@H]1CCCc2cc(Cl)ccc21 95786673 169273697 /nfs/dbraw/zinc/27/36/97/169273697.db2.gz MBBWLMFFVWVGIC-JTQLQIEISA-N 1 0 181.666 2.676 50 0 AFAARO [NH3+][C@H]1CCCc2c(F)cc(Cl)cc21 238581819 169273758 /nfs/dbraw/zinc/27/37/58/169273758.db2.gz YIXVWVJASOXRJT-JTQLQIEISA-N 1 0 199.656 2.815 50 0 AFAARO [NH3+][C@H]1CCCc2c(Cl)cccc21 8699647 169273874 /nfs/dbraw/zinc/27/38/74/169273874.db2.gz MPNOKRDWQNPAID-JTQLQIEISA-N 1 0 181.666 2.676 50 0 AFAARO [NH3+][C@H]1CCC[C@H]1c1ccc(Cl)cc1 2546123 169273931 /nfs/dbraw/zinc/27/39/31/169273931.db2.gz FZLUIZGAVYVQEG-QWRGUYRKSA-N 1 0 195.693 2.935 50 0 AFAARO [NH3+][C@H]1CCCOc2c(Cl)cccc21 36926610 169273941 /nfs/dbraw/zinc/27/39/41/169273941.db2.gz DYZOLKINGZEDSH-VIFPVBQESA-N 1 0 197.665 2.512 50 0 in-vitro AFAARO [NH3+][C@H]1CCCc2c1[nH]c1ccccc21 14987889 169273949 /nfs/dbraw/zinc/27/39/49/169273949.db2.gz QRSCMXFSQFZBMB-JTQLQIEISA-N 1 0 186.258 2.504 50 0 in-vitro AFAARO [NH3+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1 2546124 169273977 /nfs/dbraw/zinc/27/39/77/169273977.db2.gz FZLUIZGAVYVQEG-MNOVXSKESA-N 1 0 195.693 2.935 50 0 AFAARO [NH3+][C@H]1CCCc2sc(Cl)cc21 60076809 169275109 /nfs/dbraw/zinc/27/51/09/169275109.db2.gz ZBRYZWSSXVHDNF-LURJTMIESA-N 1 0 187.695 2.738 50 0 in-vitro AFAARO [NH3+][C@H]1CC[C@H]1c1ccccc1Cl 68575785 169275548 /nfs/dbraw/zinc/27/55/48/169275548.db2.gz LHHIHKIVABTZCO-WPRPVWTQSA-N 1 0 181.666 2.545 50 0 in-vitro AFAARO [NH3+][C@H]1CC[C@@H]1c1ccccc1Cl 68575787 169275674 /nfs/dbraw/zinc/27/56/74/169275674.db2.gz LHHIHKIVABTZCO-SCZZXKLOSA-N 1 0 181.666 2.545 50 0 in-vitro AFAARO [NH3+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 57489835 169275774 /nfs/dbraw/zinc/27/57/74/169275774.db2.gz SQVBYSXOQRNRRS-ONGXEEELSA-N 1 0 195.693 2.935 50 0 AFAARO [NH3+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 57489843 169275812 /nfs/dbraw/zinc/27/58/12/169275812.db2.gz VLWUANCHXYIWIX-KOLCDFICSA-N 1 0 195.693 2.935 50 0 AFAARO [NH3+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 57489831 169275840 /nfs/dbraw/zinc/27/58/40/169275840.db2.gz SQVBYSXOQRNRRS-KOLCDFICSA-N 1 0 195.693 2.935 50 0 AFAARO [NH3+][C@H]1CCSc2ccc(Cl)cc21 4218947 169275942 /nfs/dbraw/zinc/27/59/42/169275942.db2.gz WVOPBIDNAGCFIJ-QMMMGPOBSA-N 1 0 199.706 2.836 50 0 in-vitro AFAARO [NH3+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 57489846 169276007 /nfs/dbraw/zinc/27/60/07/169276007.db2.gz VLWUANCHXYIWIX-ONGXEEELSA-N 1 0 195.693 2.935 50 0 AFAARO [NH3+][C@H]1C[C@H](c2cccc(Cl)c2)C1 238850655 169277907 /nfs/dbraw/zinc/27/79/07/169277907.db2.gz CJAGMOBAPVWUER-CZMCAQCFSA-N 1 0 181.666 2.545 50 0 AFAARO [NH3+][C@H]1C[C@@H]2CCCc3cccc1c32 82617993 169278544 /nfs/dbraw/zinc/27/85/44/169278544.db2.gz HUZDSOAKGQNGOR-ONGXEEELSA-N 1 0 173.259 2.510 50 0 in-vitro AFAARO [NH3+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 238852630 169278629 /nfs/dbraw/zinc/27/86/29/169278629.db2.gz GQPGXNZYFZMGHW-CZMCAQCFSA-N 1 0 181.666 2.545 50 0 AFAARO [NH3+][C@H]1C[C@H](c2ccc(F)c(Cl)c2)C1 238851187 169278752 /nfs/dbraw/zinc/27/87/52/169278752.db2.gz FSMRURMJWBDLAZ-ZKCHVHJHSA-N 1 0 199.656 2.684 50 0 AFAARO [NH3+][C@H]1C[C@H](c2ccccc2Cl)C1 238855706 169278833 /nfs/dbraw/zinc/27/88/33/169278833.db2.gz SSRHWVLCHOELCJ-ZKCHVHJHSA-N 1 0 181.666 2.545 50 0 AFAARO [NH3+][C@H]1C[C@H]2CCCc3cccc1c32 82617995 169279172 /nfs/dbraw/zinc/27/91/72/169279172.db2.gz HUZDSOAKGQNGOR-KOLCDFICSA-N 1 0 173.259 2.510 50 0 in-vitro AFAARO Nc1c2c([nH+]c3ccccc13)CCCC2 19014866 169282638 /nfs/dbraw/zinc/28/26/38/169282638.db2.gz YLJREFDVOIBQDA-UHFFFAOYSA-N 1 0 198.269 2.696 50 0 world AFAARO [NH3+]C[C@H]1CC[C@H](c2ccccc2)C1 71496905 169217602 /nfs/dbraw/zinc/21/76/02/169217602.db2.gz ARQITJXMBWHLFZ-JQWIXIFHSA-N 1 0 175.275 2.529 50 0 AFAARO [NH3+]Cc1c(F)ccc(Cl)c1Cl 12359211 169218255 /nfs/dbraw/zinc/21/82/55/169218255.db2.gz DQKOSZMSZGNUDK-UHFFFAOYSA-N 1 0 194.036 2.591 50 0 AFAARO [NH3+]Cc1c(Cl)cc(F)cc1Cl 263625374 169218275 /nfs/dbraw/zinc/21/82/75/169218275.db2.gz ZHQGMSCWNMUUHS-UHFFFAOYSA-N 1 0 194.036 2.591 50 0 AFAARO C#[N+]c1ccc(C)c(C)c1 100000336 169467719 /nfs/dbraw/zinc/46/77/19/169467719.db2.gz CSFGGXRZRGFBCJ-UHFFFAOYSA-N 1 0 131.178 2.854 50 0 in-vitro AFAARO C#[N+]c1ccccc1CC 82208558 169468820 /nfs/dbraw/zinc/46/88/20/169468820.db2.gz URRLGKSRAQOOIV-UHFFFAOYSA-N 1 0 131.178 2.800 50 0 in-vitro AFAARO c1cc(C[NH2+]C2CCCCC2)co1 350644 169470838 /nfs/dbraw/zinc/47/08/38/169470838.db2.gz WOKDOHAOOOCYGS-UHFFFAOYSA-N 1 0 179.263 2.702 50 0 in-vitro AFAARO c1cc(C[NH2+]C2CCCCC2)ccn1 294234 169470883 /nfs/dbraw/zinc/47/08/83/169470883.db2.gz LSAPGRIUVWGKBN-UHFFFAOYSA-N 1 0 190.290 2.504 50 0 in-vitro AFAARO c1ccc2c([C@@H]3CC[NH2+]C3)cccc2c1 26493213 169477632 /nfs/dbraw/zinc/47/76/32/169477632.db2.gz KTMCVZGLGDBGJZ-GFCCVEGCSA-N 1 0 197.281 2.917 50 0 in-vivo AFAARO c1ccc([C@@H]2C[NH2+][C@H]3CCC[C@@H]32)cc1 113689810 169477811 /nfs/dbraw/zinc/47/78/11/169477811.db2.gz ANUWJZVDTUHQRB-AGIUHOORSA-N 1 0 187.286 2.542 50 0 in-vitro AFAARO c1ccc([C@]23CCCC[C@@H]2C[NH2+]3)cc1 75110708 169478084 /nfs/dbraw/zinc/47/80/84/169478084.db2.gz GDORPEUJQLHRFJ-CHWSQXEVSA-N 1 0 187.286 2.675 50 0 in-vitro AFAARO c1ccc2c([C@@H]3CCC[NH2+]3)c[nH]c2c1 2038421 169478266 /nfs/dbraw/zinc/47/82/66/169478266.db2.gz MAVAXPFTVGSHTB-LBPRGKRZSA-N 1 0 186.258 2.592 50 0 AFAARO c1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC1 19426414 169479443 /nfs/dbraw/zinc/47/94/43/169479443.db2.gz MTZRGGFLCZZKQP-ZDUSSCGKSA-N 1 0 187.286 2.816 50 0 in-vitro AFAARO c1ccc2oc([C@H]3CCC[NH2+]3)cc2c1 3732484 169480912 /nfs/dbraw/zinc/48/09/12/169480912.db2.gz VIZJJXVNOAMZKE-SNVBAGLBSA-N 1 0 187.242 2.857 50 0 AFAARO c1csc([C@@H]2CCCCC[NH2+]2)c1 2582648 169486806 /nfs/dbraw/zinc/48/68/06/169486806.db2.gz KRQAQWCVTRHERQ-VIFPVBQESA-N 1 0 181.304 2.953 50 0 in-vitro AFAARO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1C[NH3+] 140945489 344002687 /nfs/dbraw/zinc/00/26/87/344002687.db2.gz BMNCNNYYLCTHDB-MXWKQRLJSA-N 1 0 169.312 2.654 50 0 in-vitro AFAARO CC[n+]1c(C)sc2cc(C)ccc21 294935 170993342 /nfs/dbraw/zinc/99/33/42/170993342.db2.gz NCEFXZOXIZTTOJ-UHFFFAOYSA-N 1 0 192.307 2.826 50 0 AFAARO Cc1ccc2[nH]cc(C[NH+](C)C)c2c1 1569530 170997969 /nfs/dbraw/zinc/99/79/69/170997969.db2.gz GXCDTJAVATWRFZ-UHFFFAOYSA-N 1 0 188.274 2.538 50 0 in-vitro AFAARO c1ccc(C[NH+]2CCCCC2)cc1 1681427 171000444 /nfs/dbraw/zinc/00/04/44/171000444.db2.gz NZVZVGPYTICZBZ-UHFFFAOYSA-N 1 0 175.275 2.673 50 0 in-vivo AFAARO CC(C)=CCC/C(C)=C/C[NH3+] 1728191 171002230 /nfs/dbraw/zinc/00/22/30/171002230.db2.gz AFMZGMJNKXOLEM-JXMROGBWSA-N 1 0 153.269 2.638 50 0 in-vitro AFAARO CC(C)[NH+](C(C)C)C(C)C 1849894 171002542 /nfs/dbraw/zinc/00/25/42/171002542.db2.gz RKBCYCFRFCNLTO-UHFFFAOYSA-N 1 0 143.274 2.514 50 0 AFAARO C[C@@H]1CC2(CCCC[NH2+]2)C[C@H]1C 2522289 171006090 /nfs/dbraw/zinc/00/60/90/171006090.db2.gz GSOHFNIOHIYKON-NXEZZACHSA-N 1 0 167.296 2.565 50 0 AFAARO Cc1ccccc1C1=CC[N@H+](C)CC1 2516059 171006348 /nfs/dbraw/zinc/00/63/48/171006348.db2.gz BORHNVHYIYTKKC-UHFFFAOYSA-N 1 0 187.286 2.714 50 0 in-vitro AFAARO Cc1ccccc1CC1CC[NH2+]CC1 2545004 171006828 /nfs/dbraw/zinc/00/68/28/171006828.db2.gz LNNIQIBRCVWSMD-UHFFFAOYSA-N 1 0 189.302 2.537 50 0 AFAARO c1ccc([C@@H]2CCCC[NH2+]2)cc1 2562431 171007504 /nfs/dbraw/zinc/00/75/04/171007504.db2.gz WGIAUTGOUJDVEI-NSHDSACASA-N 1 0 161.248 2.501 50 0 in-vitro AFAARO Cc1ccccc1C[C@H]1CCC[NH2+]C1 2555467 171007670 /nfs/dbraw/zinc/00/76/70/171007670.db2.gz PKKKUNQUYXLKBK-GFCCVEGCSA-N 1 0 189.302 2.537 50 0 in-vitro AFAARO c1ccc([C@@H]2CCCCC[NH2+]2)cc1 2582649 171008162 /nfs/dbraw/zinc/00/81/62/171008162.db2.gz QFRVVKIFIHGQCH-LBPRGKRZSA-N 1 0 175.275 2.891 50 0 in-vitro AFAARO Cc1ccccc1C[C@@H]1CCCC[NH2+]1 2582622 171008176 /nfs/dbraw/zinc/00/81/76/171008176.db2.gz XYMRPJQJLRBRHZ-ZDUSSCGKSA-N 1 0 189.302 2.680 50 0 in-vitro AFAARO COc1ccccc1[C@@H]1CCCC[NH2+]1 2577421 171008296 /nfs/dbraw/zinc/00/82/96/171008296.db2.gz ZZBFEVGWWXDHPT-NSHDSACASA-N 1 0 191.274 2.510 50 0 in-vitro AFAARO Cc1ccccc1[C@@H]1CCCC[NH2+]1 2577409 171008319 /nfs/dbraw/zinc/00/83/19/171008319.db2.gz QLDMVIFAIGYZPR-LBPRGKRZSA-N 1 0 175.275 2.810 50 0 in-vitro AFAARO CCC[NH2+][C@@H](C)Cc1ccccc1 2570842 171008365 /nfs/dbraw/zinc/00/83/65/171008365.db2.gz SNPGTHLGFHVIDA-NSHDSACASA-N 1 0 177.291 2.617 50 0 in-vitro AFAARO [NH3+]CC1(c2ccccc2)CCCCC1 3631770 171009205 /nfs/dbraw/zinc/00/92/05/171009205.db2.gz ULRBJKIRTCBMRW-UHFFFAOYSA-N 1 0 189.302 2.847 50 0 in-vitro AFAARO c1ccc(CC[C@H]2CCCC[NH2+]2)cc1 3734664 171009368 /nfs/dbraw/zinc/00/93/68/171009368.db2.gz MOUYVILUKZKNDE-CYBMUJFWSA-N 1 0 189.302 2.761 50 0 in-vitro AFAARO Cc1ccccc1C[C@H]1CCCC[NH2+]1 3734456 171009424 /nfs/dbraw/zinc/00/94/24/171009424.db2.gz XYMRPJQJLRBRHZ-CYBMUJFWSA-N 1 0 189.302 2.680 50 0 in-vitro AFAARO c1ccc(CCC[C@@H]2CCC[NH2+]2)cc1 3732321 171009534 /nfs/dbraw/zinc/00/95/34/171009534.db2.gz NDXMZQWEQVHWOO-CYBMUJFWSA-N 1 0 189.302 2.761 50 0 in-vitro AFAARO Cc1ccccc1[C@H]1CCCC[NH2+]1 3734597 171009676 /nfs/dbraw/zinc/00/96/76/171009676.db2.gz QLDMVIFAIGYZPR-GFCCVEGCSA-N 1 0 175.275 2.810 50 0 in-vitro AFAARO c1ccc(CCC[C@H]2CCC[NH2+]2)cc1 3732320 171009822 /nfs/dbraw/zinc/00/98/22/171009822.db2.gz NDXMZQWEQVHWOO-ZDUSSCGKSA-N 1 0 189.302 2.761 50 0 in-vitro AFAARO N#[N+]c1ccc(Cl)cc1 3861289 171010043 /nfs/dbraw/zinc/01/00/43/171010043.db2.gz DBEQHSWUYRYJMT-UHFFFAOYSA-N 1 0 139.565 2.825 50 0 AFAARO N#[N+]c1ccccc1Cl 3861669 171010328 /nfs/dbraw/zinc/01/03/28/171010328.db2.gz HGOUHLGJFUPVGS-UHFFFAOYSA-N 1 0 139.565 2.825 50 0 AFAARO c1ccc(CC[C@@H]2CCCC[NH2+]2)cc1 3734665 171010366 /nfs/dbraw/zinc/01/03/66/171010366.db2.gz MOUYVILUKZKNDE-ZDUSSCGKSA-N 1 0 189.302 2.761 50 0 in-vitro AFAARO c1ccc(CCC2CC[NH2+]CC2)cc1 4312794 171011680 /nfs/dbraw/zinc/01/16/80/171011680.db2.gz WFTPSTRUUZKFRH-UHFFFAOYSA-N 1 0 189.302 2.619 50 0 in-vitro AFAARO N#[N+]c1ccc(Br)cc1 4291222 171012275 /nfs/dbraw/zinc/01/22/75/171012275.db2.gz UPQQTAIBAVTEGV-UHFFFAOYSA-N 1 0 184.016 2.934 50 0 in-vitro AFAARO C[C@H]1CC2(CCCC[NH2+]2)C[C@@H]1C 4499430 171012668 /nfs/dbraw/zinc/01/26/68/171012668.db2.gz GSOHFNIOHIYKON-UWVGGRQHSA-N 1 0 167.296 2.565 50 0 AFAARO CC(C)(C)Sc1c[nH+]ccc1N 4352662 171013327 /nfs/dbraw/zinc/01/33/27/171013327.db2.gz QRDUGPXMIHNZDN-UHFFFAOYSA-N 1 0 182.292 2.554 50 0 AFAARO CC(C)(C)[C@@H]([NH3+])Cc1ccccc1 5284158 171016401 /nfs/dbraw/zinc/01/64/01/171016401.db2.gz OTRQGAZWLJRILG-NSHDSACASA-N 1 0 177.291 2.603 50 0 in-vitro AFAARO CCCC[n+]1c(C)cc(C)cc1C 5310291 171016501 /nfs/dbraw/zinc/01/65/01/171016501.db2.gz ZNZQGSRTQJPQGJ-UHFFFAOYSA-N 1 0 178.299 2.699 50 0 AFAARO CC(C)(C)[C@@H]([NH3+])c1ccccc1 5284177 171016710 /nfs/dbraw/zinc/01/67/10/171016710.db2.gz INGIGRKEXZOVTB-JTQLQIEISA-N 1 0 163.264 2.733 50 0 in-vitro AFAARO c1ccc([C@@H]2CCC[NH2+]CC2)cc1 5698944 171017341 /nfs/dbraw/zinc/01/73/41/171017341.db2.gz AHKQOPMYYACTFC-GFCCVEGCSA-N 1 0 175.275 2.544 50 0 in-vitro AFAARO Cc1ccccc1N1CCCC1=[NH2+] 5602948 171017686 /nfs/dbraw/zinc/01/76/86/171017686.db2.gz NXTYAIMMEMZAQC-UHFFFAOYSA-N 1 0 174.247 2.572 50 0 AFAARO COc1ccccc1C[NH2+]C(C)(C)C 5817174 171017823 /nfs/dbraw/zinc/01/78/23/171017823.db2.gz BWABNGOKZPWYSZ-UHFFFAOYSA-N 1 0 193.290 2.583 50 0 in-vitro AFAARO Fc1ccc(C[NH+]2CCCCC2)cc1 6472183 171020312 /nfs/dbraw/zinc/02/03/12/171020312.db2.gz NRXXCFFOTIFBGX-UHFFFAOYSA-N 1 0 193.265 2.812 50 0 AFAARO [NH3+]CC1(c2ccc(F)cc2)CCCC1 6660648 171020365 /nfs/dbraw/zinc/02/03/65/171020365.db2.gz CFJIWRVURZRCAP-UHFFFAOYSA-N 1 0 193.265 2.596 50 0 in-vitro AFAARO c1ccc(CC[NH2+]C2CCCC2)cc1 6787573 171021139 /nfs/dbraw/zinc/02/11/39/171021139.db2.gz FGHWNDVNDXTOLR-UHFFFAOYSA-N 1 0 189.302 2.761 50 0 in-vitro AFAARO CCCCCC[NH2+]Cc1ccco1 7261092 171021625 /nfs/dbraw/zinc/02/16/25/171021625.db2.gz VCBILSHADLJGHC-UHFFFAOYSA-N 1 0 181.279 2.950 50 0 AFAARO [NH3+]CC1(c2cccc(F)c2)CCCC1 9280436 171022835 /nfs/dbraw/zinc/02/28/35/171022835.db2.gz DNRJUAGGSQWTTG-UHFFFAOYSA-N 1 0 193.265 2.596 50 0 in-vitro AFAARO [NH3+]CC1(c2ccc(Cl)cc2)CCC1 11848924 171023829 /nfs/dbraw/zinc/02/38/29/171023829.db2.gz VJISRXVFSSVMQD-UHFFFAOYSA-N 1 0 195.693 2.720 50 0 in-vitro AFAARO [NH3+]CC1(c2cccc3ccccc23)CC1 11848923 171023870 /nfs/dbraw/zinc/02/38/70/171023870.db2.gz QQDSRHJHSWYOND-UHFFFAOYSA-N 1 0 197.281 2.830 50 0 AFAARO [NH3+]CC1(c2cccc(Cl)c2)CCC1 11884117 171024342 /nfs/dbraw/zinc/02/43/42/171024342.db2.gz BPNBKCHIRNFOFV-UHFFFAOYSA-N 1 0 195.693 2.720 50 0 AFAARO [NH3+]C1(c2ccc(Cl)cc2)CCC1 11884026 171024625 /nfs/dbraw/zinc/02/46/25/171024625.db2.gz BIUYXIXKGQWDNE-UHFFFAOYSA-N 1 0 181.666 2.678 50 0 in-vitro AFAARO [NH3+]C1(c2ccc(F)cc2)CCCC1 11885828 171024854 /nfs/dbraw/zinc/02/48/54/171024854.db2.gz DBSPGNRTDZEXGR-UHFFFAOYSA-N 1 0 179.238 2.554 50 0 in-vitro AFAARO [NH3+]CC1(c2ccccc2F)CCCC1 11885913 171024862 /nfs/dbraw/zinc/02/48/62/171024862.db2.gz OVIJBJGRNSGENG-UHFFFAOYSA-N 1 0 193.265 2.596 50 0 in-vitro AFAARO [NH3+]C1(c2ccccc2F)CCCC1 11886221 171024998 /nfs/dbraw/zinc/02/49/98/171024998.db2.gz UPLBODKIRVCXMQ-UHFFFAOYSA-N 1 0 179.238 2.554 50 0 in-vitro AFAARO Cc1ccccc1C[NH2+]CC(C)C 13942039 171028143 /nfs/dbraw/zinc/02/81/43/171028143.db2.gz ZUDMFQRHJLMGHH-UHFFFAOYSA-N 1 0 177.291 2.741 50 0 in-vitro AFAARO [NH3+]C1(Cc2ccccc2F)CCCC1 16771337 171031241 /nfs/dbraw/zinc/03/12/41/171031241.db2.gz XKRNMOBTGPVWIO-UHFFFAOYSA-N 1 0 193.265 2.640 50 0 AFAARO CC(C)=CCC/C(C)=C\C[NH3+] 16955755 171031341 /nfs/dbraw/zinc/03/13/41/171031341.db2.gz AFMZGMJNKXOLEM-YFHOEESVSA-N 1 0 153.269 2.638 50 0 AFAARO c1csc(CC[C@H]2CCCC[NH2+]2)c1 19088972 171033546 /nfs/dbraw/zinc/03/35/46/171033546.db2.gz CSBHETWWOASIHR-SNVBAGLBSA-N 1 0 195.331 2.823 50 0 in-vitro AFAARO c1csc(CC[C@@H]2CCCC[NH2+]2)c1 19088969 171033610 /nfs/dbraw/zinc/03/36/10/171033610.db2.gz CSBHETWWOASIHR-JTQLQIEISA-N 1 0 195.331 2.823 50 0 in-vitro AFAARO CC(C)(C)[C@@H]([NH3+])c1ccc(F)cc1 19414888 171034068 /nfs/dbraw/zinc/03/40/68/171034068.db2.gz ZUCBPXHMAQFYAI-JTQLQIEISA-N 1 0 181.254 2.872 50 0 AFAARO CC(C)(C)[C@@H]([NH3+])c1cccs1 19841932 171035653 /nfs/dbraw/zinc/03/56/53/171035653.db2.gz VIDGALYHKGLIBL-QMMMGPOBSA-N 1 0 169.293 2.794 50 0 AFAARO c1csc(CC[NH2+]C2CCCC2)c1 19948511 171036653 /nfs/dbraw/zinc/03/66/53/171036653.db2.gz JZXCHEGAQZRKGP-UHFFFAOYSA-N 1 0 195.331 2.823 50 0 AFAARO COc1ccccc1[C@@H](C)[NH2+]C(C)C 19880522 171036841 /nfs/dbraw/zinc/03/68/41/171036841.db2.gz DNWPQWIXIGSMDC-SNVBAGLBSA-N 1 0 193.290 2.754 50 0 AFAARO [NH3+]CC1(c2cccs2)CCCCC1 20216477 171037440 /nfs/dbraw/zinc/03/74/40/171037440.db2.gz QVLGCILLMAUJBI-UHFFFAOYSA-N 1 0 195.331 2.909 50 0 in-vitro AFAARO [NH3+]CC1(c2cccs2)CCCC1 20216503 171037839 /nfs/dbraw/zinc/03/78/39/171037839.db2.gz MDNIELHLGOAGCL-UHFFFAOYSA-N 1 0 181.304 2.519 50 0 in-vitro AFAARO COc1ccccc1[C@@H](C)[NH2+]C1CC1 21957403 171041294 /nfs/dbraw/zinc/04/12/94/171041294.db2.gz WRGOQOLXFHISBO-SECBINFHSA-N 1 0 191.274 2.508 50 0 AFAARO Cc1ccccc1CSCCC[NH3+] 21953388 171041475 /nfs/dbraw/zinc/04/14/75/171041475.db2.gz VIASPJFUAUDJGB-UHFFFAOYSA-N 1 0 195.331 2.577 50 0 in-vitro AFAARO Cc1ccccc1[C@@H](C)[NH2+]C1CC1 22143825 171041636 /nfs/dbraw/zinc/04/16/36/171041636.db2.gz DPLSJGRTAUARNN-SNVBAGLBSA-N 1 0 175.275 2.808 50 0 AFAARO Cc1ccccc1[C@H](C)[NH2+]C1CC1 22143826 171042076 /nfs/dbraw/zinc/04/20/76/171042076.db2.gz DPLSJGRTAUARNN-JTQLQIEISA-N 1 0 175.275 2.808 50 0 AFAARO Clc1n[s+]sc1Cl 26894870 171045854 /nfs/dbraw/zinc/04/58/54/171045854.db2.gz PWYFBOHWFBHSEB-UHFFFAOYSA-N 1 0 173.069 2.793 50 0 in-vitro AFAARO [NH3+]C1(c2cccc(F)c2)CCCCC1 28966621 171048081 /nfs/dbraw/zinc/04/80/81/171048081.db2.gz JNWGVEKXINNKAU-UHFFFAOYSA-N 1 0 193.265 2.944 50 0 in-vitro AFAARO c1ccc(CC[C@H]2CCC[NH2+]C2)cc1 29550591 171048354 /nfs/dbraw/zinc/04/83/54/171048354.db2.gz OIBFPCCMZAPUMH-CYBMUJFWSA-N 1 0 189.302 2.619 50 0 in-vitro AFAARO c1ccc(CC[C@@H]2CCC[NH2+]C2)cc1 29550594 171049033 /nfs/dbraw/zinc/04/90/33/171049033.db2.gz OIBFPCCMZAPUMH-ZDUSSCGKSA-N 1 0 189.302 2.619 50 0 in-vitro AFAARO COc1ccccc1[C@@H]([NH3+])CC(C)C 32008792 171049755 /nfs/dbraw/zinc/04/97/55/171049755.db2.gz YQKCPHZYWZWJJD-NSHDSACASA-N 1 0 193.290 2.741 50 0 in-vitro AFAARO Cc1ccccc1C[C@@H]1CCC[NH2+]C1 32099135 171049779 /nfs/dbraw/zinc/04/97/79/171049779.db2.gz PKKKUNQUYXLKBK-LBPRGKRZSA-N 1 0 189.302 2.537 50 0 in-vitro AFAARO [NH3+]C1CCCCCCCCC1 32135361 171050074 /nfs/dbraw/zinc/05/00/74/171050074.db2.gz TXGVDTJWMZUNMP-UHFFFAOYSA-N 1 0 155.285 2.838 50 0 AFAARO [NH3+]C1(c2cc(F)ccc2F)CCCC1 33487326 171051764 /nfs/dbraw/zinc/05/17/64/171051764.db2.gz YONVYINFQLCKJF-UHFFFAOYSA-N 1 0 197.228 2.693 50 0 AFAARO c1csc(C[NH+]2CCCCC2)c1 34211432 171053923 /nfs/dbraw/zinc/05/39/23/171053923.db2.gz YGOLMAQXUDSRHV-UHFFFAOYSA-N 1 0 181.304 2.734 50 0 AFAARO c1ccc(C2C[C@@H]3CC[C@H](C2)[NH2+]3)cc1 34416253 171054850 /nfs/dbraw/zinc/05/48/50/171054850.db2.gz ORRDHOXURKUQRK-YHWZYXNKSA-N 1 0 187.286 2.685 50 0 AFAARO CCC[NH2+][C@@H](C)C1CCCCC1 34567292 171056269 /nfs/dbraw/zinc/05/62/69/171056269.db2.gz NKPYDKIYCJRIEA-JTQLQIEISA-N 1 0 169.312 2.955 50 0 AFAARO [NH3+]CC1CCC(c2ccccc2)CC1 37245887 171063120 /nfs/dbraw/zinc/06/31/20/171063120.db2.gz CULUUPJKELOFHD-UHFFFAOYSA-N 1 0 189.302 2.919 50 0 in-vitro AFAARO Cc1ccccc1[C@@H]([NH3+])C(C)C 37466875 171064664 /nfs/dbraw/zinc/06/46/64/171064664.db2.gz KTSORSWDZIRSHJ-NSHDSACASA-N 1 0 163.264 2.651 50 0 in-vitro AFAARO COc1ccccc1[C@@H]([NH3+])C(C)(C)C 37467048 171064755 /nfs/dbraw/zinc/06/47/55/171064755.db2.gz PXIJCAOLUOHTES-LLVKDONJSA-N 1 0 193.290 2.741 50 0 in-vitro AFAARO CC(C)(C)[C@@H]([NH3+])c1cccc(F)c1 37467046 171065021 /nfs/dbraw/zinc/06/50/21/171065021.db2.gz ONHZOAAJDYSRRQ-JTQLQIEISA-N 1 0 181.254 2.872 50 0 AFAARO Cc1ccccc1[C@H]([NH3+])C(C)C 37466873 171065036 /nfs/dbraw/zinc/06/50/36/171065036.db2.gz KTSORSWDZIRSHJ-LLVKDONJSA-N 1 0 163.264 2.651 50 0 in-vitro AFAARO c1ccc(C[NH+](C2CC2)C2CC2)cc1 38996314 171070877 /nfs/dbraw/zinc/07/08/77/171070877.db2.gz NMQCJEFVOVIFAZ-UHFFFAOYSA-N 1 0 187.286 2.813 50 0 AFAARO Oc1ccc(Nc2cc[nH+]cc2)cc1 39394848 171079019 /nfs/dbraw/zinc/07/90/19/171079019.db2.gz JHOUAJWDARLISP-UHFFFAOYSA-N 1 0 186.214 2.531 50 0 AFAARO c1ccc([C@@H]([NH2+]C2CC2)C2CC2)cc1 41045534 171082534 /nfs/dbraw/zinc/08/25/34/171082534.db2.gz BZRUGAZCUVPEMP-CYBMUJFWSA-N 1 0 187.286 2.890 50 0 AFAARO CC[NH+](CC)CC1CCCCC1 41168284 171083174 /nfs/dbraw/zinc/08/31/74/171083174.db2.gz ZQXOWIRFHZAWFE-UHFFFAOYSA-N 1 0 169.312 2.909 50 0 AFAARO c1ccc(CCC[C@H]2CC[NH2+]C2)cc1 42784178 171086603 /nfs/dbraw/zinc/08/66/03/171086603.db2.gz BBCWYWYDYSDMAZ-ZDUSSCGKSA-N 1 0 189.302 2.619 50 0 AFAARO c1ccc(CCC[C@@H]2CC[NH2+]C2)cc1 42784177 171086957 /nfs/dbraw/zinc/08/69/57/171086957.db2.gz BBCWYWYDYSDMAZ-CYBMUJFWSA-N 1 0 189.302 2.619 50 0 AFAARO CC(C)(C)SC[C@H]1CCC[NH2+]C1 43471696 171087832 /nfs/dbraw/zinc/08/78/32/171087832.db2.gz VJAWFSDQRAKGMP-VIFPVBQESA-N 1 0 187.352 2.518 50 0 AFAARO CC(C)(C)SC[C@@H]1CCC[NH2+]C1 43471694 171088097 /nfs/dbraw/zinc/08/80/97/171088097.db2.gz VJAWFSDQRAKGMP-SECBINFHSA-N 1 0 187.352 2.518 50 0 AFAARO CC(C)(C)SC[C@@H]1CCCC[NH2+]1 43495287 171088168 /nfs/dbraw/zinc/08/81/68/171088168.db2.gz RLBHSOSGEWQLQG-VIFPVBQESA-N 1 0 187.352 2.660 50 0 AFAARO CC(C)(C)SC[C@H]1CCCC[NH2+]1 43495290 171088278 /nfs/dbraw/zinc/08/82/78/171088278.db2.gz RLBHSOSGEWQLQG-SECBINFHSA-N 1 0 187.352 2.660 50 0 AFAARO CC(C)(C)SCC1CC[NH2+]CC1 43498157 171088370 /nfs/dbraw/zinc/08/83/70/171088370.db2.gz RFJJDKSEZQECMU-UHFFFAOYSA-N 1 0 187.352 2.518 50 0 AFAARO [NH3+]CC1(c2ccccc2Cl)CCC1 44269636 171089472 /nfs/dbraw/zinc/08/94/72/171089472.db2.gz KNKTVPIXEOLSNL-UHFFFAOYSA-N 1 0 195.693 2.720 50 0 in-vitro AFAARO [NH3+]C1(c2ccccc2Cl)CCC1 44269645 171089850 /nfs/dbraw/zinc/08/98/50/171089850.db2.gz BUQNXOFUXDRKGQ-UHFFFAOYSA-N 1 0 181.666 2.678 50 0 in-vitro AFAARO [NH3+]C12CCC(C(F)(F)F)(CC1)CC2 44460235 171090441 /nfs/dbraw/zinc/09/04/41/171090441.db2.gz FZWZAQABIOOSTK-UHFFFAOYSA-N 1 0 193.212 2.600 50 0 in-vitro AFAARO [NH3+]CC1(OC2CCCC2)CCCCC1 50487525 171097011 /nfs/dbraw/zinc/09/70/11/171097011.db2.gz NZYPKBQUSDMINS-UHFFFAOYSA-N 1 0 197.322 2.607 50 0 in-vitro AFAARO [NH3+]C1(c2ccc3ccccc3c2)CC1 54441447 171099544 /nfs/dbraw/zinc/09/95/44/171099544.db2.gz JEMQNDTVFZPFLY-UHFFFAOYSA-N 1 0 183.254 2.788 50 0 AFAARO [NH3+]CC1(Cc2ccccc2)CCCC1 54635596 171099686 /nfs/dbraw/zinc/09/96/86/171099686.db2.gz IMAMHYBLHFHFRI-UHFFFAOYSA-N 1 0 189.302 2.748 50 0 in-vitro AFAARO [NH3+]CC1(Cc2ccccc2Cl)CC1 71507248 171108428 /nfs/dbraw/zinc/10/84/28/171108428.db2.gz SYUQJCZYLYAJSB-UHFFFAOYSA-N 1 0 195.693 2.621 50 0 AFAARO CC1(C)[C@H](c2ccccc2)CC[N+]1=O 71773404 171108458 /nfs/dbraw/zinc/10/84/58/171108458.db2.gz MUXKTUGSCKJXKI-NSHDSACASA-N 1 0 189.258 2.534 50 0 AFAARO [NH3+]CC1(Cc2cccc(Cl)c2)CC1 71507249 171108498 /nfs/dbraw/zinc/10/84/98/171108498.db2.gz OQNDTMAFIOLBRC-UHFFFAOYSA-N 1 0 195.693 2.621 50 0 in-vitro AFAARO [NH3+]CC1(CC(F)(F)F)CCCCC1 71792103 171108598 /nfs/dbraw/zinc/10/85/98/171108598.db2.gz ONLDDVDPXDIHPV-UHFFFAOYSA-N 1 0 195.228 2.848 50 0 AFAARO Cc1ccccc1C1=[NH+]CCC1 71773022 171108665 /nfs/dbraw/zinc/10/86/65/171108665.db2.gz LUAKRUZAKPPSEK-UHFFFAOYSA-N 1 0 159.232 2.578 50 0 AFAARO c1ccc([C@@H]2CCCC[NH2+]C2)cc1 74934268 171111837 /nfs/dbraw/zinc/11/18/37/171111837.db2.gz LLRVWGRIEDLUHM-GFCCVEGCSA-N 1 0 175.275 2.544 50 0 in-vitro AFAARO c1ccc(C[N@@H+]2CCC23CCC3)cc1 75824169 171115164 /nfs/dbraw/zinc/11/51/64/171115164.db2.gz MXYJJZAQACKMIV-UHFFFAOYSA-N 1 0 187.286 2.815 50 0 AFAARO c1ccc(C[NH+]2CC3(CCC3)C2)cc1 91692865 171135272 /nfs/dbraw/zinc/13/52/72/171135272.db2.gz WCIHJDHZGRPNOX-UHFFFAOYSA-N 1 0 187.286 2.673 50 0 AFAARO [NH3+]Cc1ccc2cc(Cl)ccc2c1 96032688 171140995 /nfs/dbraw/zinc/14/09/95/171140995.db2.gz RXKWMRASYFJDGR-UHFFFAOYSA-N 1 0 191.661 2.952 50 0 AFAARO c1ccc(CC[NH+]2CCCCC2)cc1 1668339 171161740 /nfs/dbraw/zinc/16/17/40/171161740.db2.gz DBDVAKGHPZJLTH-UHFFFAOYSA-N 1 0 189.302 2.715 50 0 AFAARO [NH3+]CC1c2ccccc2-c2ccccc21 2599313 171161848 /nfs/dbraw/zinc/16/18/48/171161848.db2.gz WFALOHNPWGVANH-UHFFFAOYSA-N 1 0 195.265 2.758 50 0 in-vitro AFAARO [NH3+]C1(Cc2ccccc2)CCCCC1 3621202 171162071 /nfs/dbraw/zinc/16/20/71/171162071.db2.gz SXEPDZQVJGZPGF-UHFFFAOYSA-N 1 0 189.302 2.891 50 0 AFAARO CCCCc1ccc(CC[NH3+])cc1 1604291 171162746 /nfs/dbraw/zinc/16/27/46/171162746.db2.gz ZWVAEXGUCYEOBM-UHFFFAOYSA-N 1 0 177.291 2.530 50 0 AFAARO C[Si](C)(C)C[NH2+]Cc1ccccc1 169744823 171166183 /nfs/dbraw/zinc/16/61/83/171166183.db2.gz WECLUYCAWLJMKM-UHFFFAOYSA-N 1 0 193.366 2.654 50 0 in-vitro AFAARO [NH3+]C1(c2cccc3ccccc23)CC1 11885310 171166660 /nfs/dbraw/zinc/16/66/60/171166660.db2.gz ZBHKDZNJLCDLEC-UHFFFAOYSA-N 1 0 183.254 2.788 50 0 in-vitro AFAARO C[Si](C)(C)[NH2+]Cc1ccccc1 195781183 171170015 /nfs/dbraw/zinc/17/00/15/171170015.db2.gz OVONARZNQIKMGQ-UHFFFAOYSA-N 1 0 179.339 2.611 50 0 AFAARO [NH3+]CC1=C(Cl)CCCCCC1 45069162 171190073 /nfs/dbraw/zinc/19/00/73/171190073.db2.gz AWIYLPFLDFWVBC-UHFFFAOYSA-N 1 0 173.687 2.792 50 0 AFAARO C[N@@H+]1CCCC[C@H]2CCCC[C@H]21 71785331 171195274 /nfs/dbraw/zinc/19/52/74/171195274.db2.gz LBMUHDBLQKJURH-GHMZBOCLSA-N 1 0 167.296 2.661 50 0 AFAARO CC[n+]1c(C)sc2ccc(C)cc21 236055 171206647 /nfs/dbraw/zinc/20/66/47/171206647.db2.gz UPUJUTOIGKMZBA-UHFFFAOYSA-N 1 0 192.307 2.826 50 0 AFAARO CC[n+]1ccc(C)c2cc(C)ccc21 3131070 204019755 /nfs/dbraw/zinc/01/97/55/204019755.db2.gz VYNOGWWSMSOOPR-UHFFFAOYSA-N 1 0 186.278 2.764 50 0 AFAARO c1ccc(C[NH2+]CCC2CCC2)cc1 130334536 204020700 /nfs/dbraw/zinc/02/07/00/204020700.db2.gz LRYDWGSIMNNVNL-UHFFFAOYSA-N 1 0 189.302 2.966 50 0 AFAARO C[C@H](CC1CC1)[NH2+]Cc1ccccc1 69662009 207353542 /nfs/dbraw/zinc/35/35/42/207353542.db2.gz ZKWQOFDMUQAOIF-LLVKDONJSA-N 1 0 189.302 2.965 50 0 AFAARO C[C@@H](CC1CC1)[NH2+]Cc1ccccc1 69662004 207353744 /nfs/dbraw/zinc/35/37/44/207353744.db2.gz ZKWQOFDMUQAOIF-NSHDSACASA-N 1 0 189.302 2.965 50 0 AFAARO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccco1 293045 351274161 /nfs/dbraw/zinc/27/41/61/351274161.db2.gz NBHGOQKKOCVQLI-PWSUYJOCSA-N 1 0 193.290 2.948 50 0 AFAARO C[C@@H]1C[C@H](Cc2ccccc2)CC[NH2+]1 36421146 351456633 /nfs/dbraw/zinc/45/66/33/351456633.db2.gz OFGKRESMPJWYJJ-DGCLKSJQSA-N 1 0 189.302 2.617 50 0 in-vitro AFAARO C[C@@H]1[NH2+][C@H](C)C[C@H]1c1ccccc1 70587212 351603892 /nfs/dbraw/zinc/60/38/92/351603892.db2.gz NAMYMELPHNHNLV-JFGNBEQYSA-N 1 0 175.275 2.541 50 0 in-vitro AFAARO c1csc([C@@H]2CC[NH2+]CCS2)c1 307465334 229141531 /nfs/dbraw/zinc/14/15/31/229141531.db2.gz IPAXLFREZDJDNX-VIFPVBQESA-N 1 0 199.344 2.516 50 0 AFAARO c1csc([C@H]2CC[NH2+]CCS2)c1 307465333 229141573 /nfs/dbraw/zinc/14/15/73/229141573.db2.gz IPAXLFREZDJDNX-SECBINFHSA-N 1 0 199.344 2.516 50 0 AFAARO Cc1ccccc1CC(C)(C)C[NH3+] 49804188 229144125 /nfs/dbraw/zinc/14/41/25/229144125.db2.gz LTXFZUBOFVNGJS-UHFFFAOYSA-N 1 0 177.291 2.522 50 0 AFAARO [NH3+]C1(c2c(F)cccc2F)CCCC1 69758912 325605459 /nfs/dbraw/zinc/60/54/59/325605459.db2.gz JFNVWVMNPXIAPR-UHFFFAOYSA-N 1 0 197.228 2.693 50 0 AFAARO C[C@@]1(CCc2ccccc2)CCC[NH2+]1 85698110 325610660 /nfs/dbraw/zinc/61/06/60/325610660.db2.gz HFMITVUQVZXAIX-ZDUSSCGKSA-N 1 0 189.302 2.761 50 0 in-vitro AFAARO C[C@]1(CCc2ccccc2)CCC[NH2+]1 85698108 325610845 /nfs/dbraw/zinc/61/08/45/325610845.db2.gz HFMITVUQVZXAIX-CYBMUJFWSA-N 1 0 189.302 2.761 50 0 in-vitro AFAARO [NH3+]Cc1c(Cl)oc2ccccc12 134888024 325623174 /nfs/dbraw/zinc/62/31/74/325623174.db2.gz CKJWWOSAKXXQQW-UHFFFAOYSA-N 1 0 181.622 2.545 50 0 AFAARO C[C@H]([NH2+]Cc1ccccc1)[C@H]1C[C@H]1C 307462487 325640914 /nfs/dbraw/zinc/64/09/14/325640914.db2.gz JVXHKAJOUIRREW-MDZLAQPJSA-N 1 0 189.302 2.821 50 0 AFAARO C[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccccc1 307462491 325641020 /nfs/dbraw/zinc/64/10/20/325641020.db2.gz JVXHKAJOUIRREW-WZRBSPASSA-N 1 0 189.302 2.821 50 0 AFAARO CC[C@@H]1C[NH2+]C[C@H]1c1ccc(C)cc1 536952537 325668739 /nfs/dbraw/zinc/66/87/39/325668739.db2.gz DVYUGCNZOPEKDU-DGCLKSJQSA-N 1 0 189.302 2.708 50 0 AFAARO [NH3+]C1(c2cccc(Cl)c2)CCC1 54468 342925025 /nfs/dbraw/zinc/92/50/25/342925025.db2.gz ZSZAJZSGPJCTML-UHFFFAOYSA-N 1 0 181.666 2.678 50 0 in-vitro AFAARO CC[n+]1c(C)sc2ccccc21 87588 342926450 /nfs/dbraw/zinc/92/64/50/342926450.db2.gz OGRZMXBJGTZUGN-UHFFFAOYSA-N 1 0 178.280 2.517 50 0 in-vitro AFAARO Clc1ccc(C2=CC[NH2+]CC2)cc1 155174 342929048 /nfs/dbraw/zinc/92/90/48/342929048.db2.gz SXOMHACGFSJBIO-UHFFFAOYSA-N 1 0 193.677 2.717 50 0 in-vitro AFAARO Cc1csc(C)[n+]1-c1ccccc1 289577 342932915 /nfs/dbraw/zinc/93/29/15/342932915.db2.gz NNNBCVXVFGRAKD-UHFFFAOYSA-N 1 0 190.291 2.642 50 0 AFAARO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccco1 293042 342932917 /nfs/dbraw/zinc/93/29/17/342932917.db2.gz NBHGOQKKOCVQLI-JQWIXIFHSA-N 1 0 193.290 2.948 50 0 AFAARO CN(C)c1ccc(-n2cccc2)cc1 378507 342935149 /nfs/dbraw/zinc/93/51/49/342935149.db2.gz CFYGDNRSFVHWBL-UHFFFAOYSA-N 1 0 186.258 2.543 50 0 AFAARO Cc1ccc(C[NH2+]C2CCCC2)o1 385600 342935566 /nfs/dbraw/zinc/93/55/66/342935566.db2.gz XGCFNYDOXGOOMJ-UHFFFAOYSA-N 1 0 179.263 2.620 50 0 AFAARO CC(C)c1cc2ccccn2[s+]1 384111 342935577 /nfs/dbraw/zinc/93/55/77/342935577.db2.gz RDAWVYNGZWLKHN-UHFFFAOYSA-N 1 0 178.280 2.610 50 0 AFAARO Cc1cc(C)n2c(c1)[o+]c1ccccc12 390796 342936372 /nfs/dbraw/zinc/93/63/72/342936372.db2.gz LCAJHLXAISEMTI-UHFFFAOYSA-N 1 0 198.245 2.788 50 0 AFAARO CCn1cc2ccccc2[o+]1 389870 342936376 /nfs/dbraw/zinc/93/63/76/342936376.db2.gz ODXCMWLJDMOSSL-UHFFFAOYSA-N 1 0 148.185 2.535 50 0 AFAARO Cc1[nH]c2ccccc2c1C[NH+](C)C 394962 342937541 /nfs/dbraw/zinc/93/75/41/342937541.db2.gz AJNMXMZCRHTBEH-UHFFFAOYSA-N 1 0 188.274 2.538 50 0 in-vitro AFAARO Cc1cc([C@@H]2C=CNC=[NH+]2)c(C)s1 480765 342939590 /nfs/dbraw/zinc/93/95/90/342939590.db2.gz ONPRQZJDKZHNQE-JTQLQIEISA-N 1 0 192.287 2.551 50 0 AFAARO CC[n+]1c(C)sc2ccc(F)cc21 451130 342939728 /nfs/dbraw/zinc/93/97/28/342939728.db2.gz SXNYDTMZFYHLFU-UHFFFAOYSA-N 1 0 196.270 2.656 50 0 AFAARO c1csc(C[NH2+]C2CCCC2)c1 570993 342941202 /nfs/dbraw/zinc/94/12/02/342941202.db2.gz CRLHPNUFQXBBAO-UHFFFAOYSA-N 1 0 181.304 2.780 50 0 in-vitro AFAARO C[C@H]([NH3+])c1ccc2ccccc2c1 967489 342942370 /nfs/dbraw/zinc/94/23/70/342942370.db2.gz KHSYYLCXQKCYQX-VIFPVBQESA-N 1 0 171.243 2.860 50 0 in-vitro AFAARO CC(C)([NH3+])CC1CCCCC1 968299 342942655 /nfs/dbraw/zinc/94/26/55/342942655.db2.gz KZVACGSZWDLFHD-UHFFFAOYSA-N 1 0 155.285 2.694 50 0 AFAARO Cc1ccccc1/C=C/[n+]1ccccc1 1019610 342942862 /nfs/dbraw/zinc/94/28/62/342942862.db2.gz VVUHJOJXSWPXHT-FMIVXFBMSA-N 1 0 196.273 2.910 50 0 AFAARO Cc1c[n+](C)c(C)cc1-c1ccccc1 1024937 342943193 /nfs/dbraw/zinc/94/31/93/342943193.db2.gz XCXYAGVWZJWECO-UHFFFAOYSA-N 1 0 198.289 2.795 50 0 AFAARO CC1=[N+](C)c2ccccc2C1(C)C 1239055 342943938 /nfs/dbraw/zinc/94/39/38/342943938.db2.gz AKQUHUJZRFFZOO-UHFFFAOYSA-N 1 0 174.267 2.713 50 0 AFAARO CC1(C)CC2CC[NH+]1C(C)(C)C2 1306155 342944603 /nfs/dbraw/zinc/94/46/03/342944603.db2.gz HLLQHWKGHJJMOS-UHFFFAOYSA-N 1 0 167.296 2.659 50 0 in-vitro AFAARO CC1(C)[C@H]2CC[C@]1(C)C(=[NH2+])C2 1462964 342945768 /nfs/dbraw/zinc/94/57/68/342945768.db2.gz KCIBGEFMLVXSJL-OIBJUYFYSA-N 1 0 151.253 2.852 50 0 biogenic AFAARO C[NH2+]C(C)(C)Cc1ccc(Cl)cc1 1606370 342951565 /nfs/dbraw/zinc/95/15/65/342951565.db2.gz TVBSJSBOBBAPRX-UHFFFAOYSA-N 1 0 197.709 2.881 50 0 AFAARO CC1([NH+]2CCCC2)CCCCC1 1621758 342952551 /nfs/dbraw/zinc/95/25/51/342952551.db2.gz ODJUBXMSISFBOL-UHFFFAOYSA-N 1 0 167.296 2.805 50 0 AFAARO [NH3+]CC(c1ccccc1)c1ccccc1 1641291 342953849 /nfs/dbraw/zinc/95/38/49/342953849.db2.gz RXMTUVIKZRXSSM-UHFFFAOYSA-N 1 0 197.281 2.777 50 0 in-vivo AFAARO C[C@H]1C[C@@H](c2ccccc2)CC[NH2+]1 1662168 342954821 /nfs/dbraw/zinc/95/48/21/342954821.db2.gz IVPJZROSRBWYLS-JQWIXIFHSA-N 1 0 175.275 2.542 50 0 in-vitro AFAARO CCCCC[NH2+]Cc1ccccc1 1662294 342954859 /nfs/dbraw/zinc/95/48/59/342954859.db2.gz GSSNBCHDTWIOLI-UHFFFAOYSA-N 1 0 177.291 2.966 50 0 AFAARO C[NH2+]C(c1ccccc1)c1ccccc1 1667113 342955552 /nfs/dbraw/zinc/95/55/52/342955552.db2.gz SHDMMLFAFLZUEV-UHFFFAOYSA-N 1 0 197.281 2.995 50 0 AFAARO CCCC[n+]1cccc2ccccc21 1672419 342956479 /nfs/dbraw/zinc/95/64/79/342956479.db2.gz AZWDISHHPONIAX-UHFFFAOYSA-N 1 0 186.278 2.927 50 0 AFAARO CCCCC[NH2+]CCCCC 1693404 342959369 /nfs/dbraw/zinc/95/93/69/342959369.db2.gz JACMPVXHEARCBO-UHFFFAOYSA-N 1 0 157.301 2.956 50 0 in-vitro AFAARO C[C@H]([NH3+])c1cccc2ccccc12 1701854 342960665 /nfs/dbraw/zinc/96/06/65/342960665.db2.gz RTCUCQWIICFPOD-VIFPVBQESA-N 1 0 171.243 2.860 50 0 in-vitro AFAARO CCCC[NH2+]Cc1ccccc1 1711250 342961435 /nfs/dbraw/zinc/96/14/35/342961435.db2.gz HIPXPABRMMYVQD-UHFFFAOYSA-N 1 0 163.264 2.576 50 0 in-vitro AFAARO CCCC[N@H+](C)Cc1ccccc1 1905340 342965505 /nfs/dbraw/zinc/96/55/05/342965505.db2.gz DJGYQWOUTYQPIP-UHFFFAOYSA-N 1 0 177.291 2.919 50 0 AFAARO C[C@H](c1ccccc1)C(C)(C)[NH3+] 1999319 342965828 /nfs/dbraw/zinc/96/58/28/342965828.db2.gz UMWAUEZOGHNSCH-SECBINFHSA-N 1 0 163.264 2.527 50 0 in-man AFAARO CCCC[NH+](C)CCCC 2026895 342967097 /nfs/dbraw/zinc/96/70/97/342967097.db2.gz MTHFROHDIWGWFD-UHFFFAOYSA-N 1 0 143.274 2.518 50 0 AFAARO CCCC[NH2+]C1CCCCC1 2024055 342967252 /nfs/dbraw/zinc/96/72/52/342967252.db2.gz VXXLEXCQCSPKFI-UHFFFAOYSA-N 1 0 155.285 2.709 50 0 in-vitro AFAARO CC(C)[C@@H](C)[NH2+]CCc1ccccc1 2027690 342967293 /nfs/dbraw/zinc/96/72/93/342967293.db2.gz HZFWBUZCMODGSB-GFCCVEGCSA-N 1 0 191.318 2.863 50 0 AFAARO Cc1cccc2c(C[NH+](C)C)c[nH]c12 2019493 342967302 /nfs/dbraw/zinc/96/73/02/342967302.db2.gz VOCVAFRQMGNEDM-UHFFFAOYSA-N 1 0 188.274 2.538 50 0 in-vitro AFAARO CC[C@H](C)[NH2+]CCc1ccccc1 2027698 342967311 /nfs/dbraw/zinc/96/73/11/342967311.db2.gz QQANEHTZDNVRFU-NSHDSACASA-N 1 0 177.291 2.617 50 0 AFAARO CCCC[C@H](CC)COCCC[NH3+] 2037273 342968189 /nfs/dbraw/zinc/96/81/89/342968189.db2.gz DVFGEIYOLIFSRX-NSHDSACASA-N 1 0 187.327 2.568 50 0 AFAARO CCC(C)(C)[NH2+]C(C)(C)C 2038920 342968334 /nfs/dbraw/zinc/96/83/34/342968334.db2.gz KZOPSPQZLMCNPF-UHFFFAOYSA-N 1 0 143.274 2.563 50 0 AFAARO CCCCSC[NH+]1CCCCC1 2160214 342970014 /nfs/dbraw/zinc/97/00/14/342970014.db2.gz UZMOFEYRJGKAET-UHFFFAOYSA-N 1 0 187.352 2.963 50 0 AFAARO C[n+]1cccc(/C=C/c2ccccc2)c1 2156541 342970210 /nfs/dbraw/zinc/97/02/10/342970210.db2.gz YZQHKNNPHYJNEF-MDZDMXLPSA-N 1 0 196.273 2.682 50 0 AFAARO CCCCC[NH2+]CCCC 2169075 342970466 /nfs/dbraw/zinc/97/04/66/342970466.db2.gz AMJIVVJFADZSNZ-UHFFFAOYSA-N 1 0 143.274 2.566 50 0 AFAARO CC(C)[NH2+][C@@H](C)c1ccccc1 2389436 342971773 /nfs/dbraw/zinc/97/17/73/342971773.db2.gz QFUIZDLZUZDWJH-JTQLQIEISA-N 1 0 163.264 2.746 50 0 in-vitro AFAARO CCC[NH2+][C@@H](C)c1ccccc1 2390513 342972373 /nfs/dbraw/zinc/97/23/73/342972373.db2.gz MQOWUQJOBIHPPR-JTQLQIEISA-N 1 0 163.264 2.747 50 0 in-vitro AFAARO CCCC[N@H+](C)Cc1ccc(O)cc1 2498555 342972496 /nfs/dbraw/zinc/97/24/96/342972496.db2.gz ZQXXZQFKOXFUGP-UHFFFAOYSA-N 1 0 193.290 2.624 50 0 AFAARO CCCCCC[NH2+]CCCC 2509146 342973020 /nfs/dbraw/zinc/97/30/20/342973020.db2.gz UYZWCDKHEOBGLW-UHFFFAOYSA-N 1 0 157.301 2.956 50 0 AFAARO CCCC[NH+](CC)CCCC 2510141 342973199 /nfs/dbraw/zinc/97/31/99/342973199.db2.gz BBDGYADAMYMJNO-UHFFFAOYSA-N 1 0 157.301 2.909 50 0 in-vitro AFAARO Cc1ccc(C)c([C@H]2CCC[NH2+]2)c1 2545050 342975696 /nfs/dbraw/zinc/97/56/96/342975696.db2.gz YDFGECBUKLAMHF-GFCCVEGCSA-N 1 0 175.275 2.728 50 0 in-vitro AFAARO CCC(CC)[NH2+]Cc1ccco1 2554107 342976143 /nfs/dbraw/zinc/97/61/43/342976143.db2.gz CWZOTAKYXOZWBU-UHFFFAOYSA-N 1 0 167.252 2.558 50 0 AFAARO Cc1cccc(C[C@H]2CCC[NH2+]C2)c1 2555466 342976148 /nfs/dbraw/zinc/97/61/48/342976148.db2.gz QGDXLGZYLHVIMJ-CYBMUJFWSA-N 1 0 189.302 2.537 50 0 in-vitro AFAARO Cc1ccc(C[C@H]2CCC[NH2+]C2)cc1 2555465 342976216 /nfs/dbraw/zinc/97/62/16/342976216.db2.gz DUOKGZWRUWUHQT-CYBMUJFWSA-N 1 0 189.302 2.537 50 0 in-vitro AFAARO CCC(C)(C)C1CCC([NH3+])CC1 2558437 342976415 /nfs/dbraw/zinc/97/64/15/342976415.db2.gz KEOJIGZPVOCBMK-UHFFFAOYSA-N 1 0 169.312 2.940 50 0 in-vitro AFAARO CCCCC([NH3+])CCCC 2563297 342976973 /nfs/dbraw/zinc/97/69/73/342976973.db2.gz BKEVGGILGWUWSB-UHFFFAOYSA-N 1 0 143.274 2.694 50 0 AFAARO Cc1ccc2c(C[NH+](C)C)c[nH]c2c1 2572404 342977937 /nfs/dbraw/zinc/97/79/37/342977937.db2.gz GXMYBIFUWSMMKX-UHFFFAOYSA-N 1 0 188.274 2.538 50 0 in-vitro AFAARO Cc1ccc([C@@H]2CCCC[NH2+]2)cc1 2577407 342978345 /nfs/dbraw/zinc/97/83/45/342978345.db2.gz RPMPQNRTPBUGIW-LBPRGKRZSA-N 1 0 175.275 2.810 50 0 in-vitro AFAARO Cc1cccc(C[C@@H]2CCCC[NH2+]2)c1 2582636 342978599 /nfs/dbraw/zinc/97/85/99/342978599.db2.gz JHOMCRVWZINNGV-ZDUSSCGKSA-N 1 0 189.302 2.680 50 0 in-vitro AFAARO CCCC[C@H](CC)C[NH+](C)C 2581955 342978640 /nfs/dbraw/zinc/97/86/40/342978640.db2.gz OQADVBLQZQTGLL-JTQLQIEISA-N 1 0 157.301 2.764 50 0 AFAARO C[C@H]([NH3+])c1cccc(C(F)(F)F)c1 2598072 342979017 /nfs/dbraw/zinc/97/90/17/342979017.db2.gz ODZXRBRYQGYVJY-LURJTMIESA-N 1 0 189.180 2.725 50 0 in-vitro AFAARO C[C@H]([NH3+])c1ccccc1C(F)(F)F 2598070 342979243 /nfs/dbraw/zinc/97/92/43/342979243.db2.gz DPLIMKBGTYIUCB-LURJTMIESA-N 1 0 189.180 2.725 50 0 in-vitro AFAARO Cc1ccc(SCCC[NH3+])c(C)c1 2626327 342979466 /nfs/dbraw/zinc/97/94/66/342979466.db2.gz CSZSPXLWBJPEAL-UHFFFAOYSA-N 1 0 195.331 2.744 50 0 AFAARO CCCCCC[C@H](C)[NH+](C)C 3136408 342980926 /nfs/dbraw/zinc/98/09/26/342980926.db2.gz JXXZVUDFXQNPRZ-JTQLQIEISA-N 1 0 157.301 2.907 50 0 AFAARO CC[C@H](C)[NH2+]Cc1ccccc1 3346202 342982283 /nfs/dbraw/zinc/98/22/83/342982283.db2.gz CVBZQAJYUZEPMC-JTQLQIEISA-N 1 0 163.264 2.575 50 0 in-vitro AFAARO CC(C)c1ccc([C@H](C)[NH3+])cc1 3394484 342982335 /nfs/dbraw/zinc/98/23/35/342982335.db2.gz UHAQMLODFYUKOM-VIFPVBQESA-N 1 0 163.264 2.830 50 0 in-vitro AFAARO C[C@H]([NH2+]C1CC1)C1CCCCC1 3636254 342982762 /nfs/dbraw/zinc/98/27/62/342982762.db2.gz ZBZBLHBMSYUBHO-VIFPVBQESA-N 1 0 167.296 2.707 50 0 AFAARO C[C@@]12CC3CC(C[NH3+])(C1)C[C@](C)(C3)C2 3624721 342982764 /nfs/dbraw/zinc/98/27/64/342982764.db2.gz GPYYBGAAAREIRT-UNTZMWQOSA-N 1 0 193.334 2.942 50 0 AFAARO CCc1ccc(C2CC[NH2+]CC2)cc1 3623436 342982767 /nfs/dbraw/zinc/98/27/67/342982767.db2.gz NDPOGPAZKKPOPV-UHFFFAOYSA-N 1 0 189.302 2.716 50 0 in-man AFAARO C[N@@H+]1C[C@@]23CC=CC[C@@]2(CCCC3)C1 3631580 342982804 /nfs/dbraw/zinc/98/28/04/342982804.db2.gz UNENWFCCCMUXDX-BETUJISGSA-N 1 0 191.318 2.829 50 0 AFAARO Cc1cc(C)c([C@H](C)[NH3+])c(C)c1 3645605 342983183 /nfs/dbraw/zinc/98/31/83/342983183.db2.gz LVIICDKJNNIEQG-JTQLQIEISA-N 1 0 163.264 2.632 50 0 AFAARO Cc1cc(C)c([C@@H](C)[NH3+])c(C)c1 3645604 342983309 /nfs/dbraw/zinc/98/33/09/342983309.db2.gz LVIICDKJNNIEQG-SNVBAGLBSA-N 1 0 163.264 2.632 50 0 AFAARO Cc1cc([C@@H](C)[NH3+])ccc1Cl 3705636 342983656 /nfs/dbraw/zinc/98/36/56/342983656.db2.gz ZZOSBFSBUHOOTJ-SSDOTTSWSA-N 1 0 169.655 2.668 50 0 AFAARO C[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 3705308 342983792 /nfs/dbraw/zinc/98/37/92/342983792.db2.gz GUMZDWPMXGQNBG-LURJTMIESA-N 1 0 189.180 2.725 50 0 in-vitro AFAARO C[C@H]([NH3+])c1cc2ccccc2s1 3705357 342983794 /nfs/dbraw/zinc/98/37/94/342983794.db2.gz OELFZKCSIUHOHM-ZETCQYMHSA-N 1 0 177.272 2.921 50 0 in-vitro AFAARO CC(C)Cc1ccc([C@@H](C)[NH3+])cc1 3705368 342983835 /nfs/dbraw/zinc/98/38/35/342983835.db2.gz OLAOEFIPECGPEM-SNVBAGLBSA-N 1 0 177.291 2.905 50 0 in-vitro AFAARO CC[C@H](c1ccccc1)[C@H]1CCC[NH2+]1 3732317 342984132 /nfs/dbraw/zinc/98/41/32/342984132.db2.gz LISOICDQKSFEOD-CHWSQXEVSA-N 1 0 189.302 2.932 50 0 in-vitro AFAARO Cc1ccc([C@H]2CCC[NH2+]2)c(C)c1 3732344 342984146 /nfs/dbraw/zinc/98/41/46/342984146.db2.gz UOPALANXPTYMFE-GFCCVEGCSA-N 1 0 175.275 2.728 50 0 in-vitro AFAARO CCCCCC[C@H]1CCC[NH2+]1 3732233 342984197 /nfs/dbraw/zinc/98/41/97/342984197.db2.gz KAPSVPRGMIZSEN-JTQLQIEISA-N 1 0 155.285 2.709 50 0 in-vitro AFAARO Cc1cc(C)cc([C@H]2CCC[NH2+]2)c1 3732291 342984218 /nfs/dbraw/zinc/98/42/18/342984218.db2.gz SHGUHZCFMGGKFO-GFCCVEGCSA-N 1 0 175.275 2.728 50 0 in-vitro AFAARO CCc1ccc([C@H]2CCC[NH2+]2)cc1 3732375 342984221 /nfs/dbraw/zinc/98/42/21/342984221.db2.gz IBPIAQWYWUWFPS-GFCCVEGCSA-N 1 0 175.275 2.674 50 0 AFAARO Cc1cccc([C@H]2CCCC[NH2+]2)c1 3734459 342984440 /nfs/dbraw/zinc/98/44/40/342984440.db2.gz YKFXSWPGGIAPSM-GFCCVEGCSA-N 1 0 175.275 2.810 50 0 in-vitro AFAARO C[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 3831429 342984565 /nfs/dbraw/zinc/98/45/65/342984565.db2.gz UBCHPRBFMUDMNC-JKJWBTBISA-N 1 0 179.307 2.550 50 0 fda AFAARO C[C@@]12CC3CC([NH3+])(C1)C[C@](C)(C3)C2 3812933 342984754 /nfs/dbraw/zinc/98/47/54/342984754.db2.gz BUGYDGFZZOZRHP-WSVSKBAQSA-N 1 0 179.307 2.694 50 0 fda AFAARO CC[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 3866435 342985336 /nfs/dbraw/zinc/98/53/36/342985336.db2.gz RKPSOUZGYPZAHW-CRIDGIJHSA-N 1 0 193.334 2.940 50 0 in-vitro AFAARO CC[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 3866434 342985428 /nfs/dbraw/zinc/98/54/28/342985428.db2.gz RKPSOUZGYPZAHW-RFMXUXEOSA-N 1 0 193.334 2.940 50 0 in-vitro AFAARO C[NH+](C)C12CC3CC(CC(C3)C1)C2 3882226 342985808 /nfs/dbraw/zinc/98/58/08/342985808.db2.gz NFBYCNFAXLUGBT-UHFFFAOYSA-N 1 0 179.307 2.517 50 0 AFAARO C[n+]1ccccc1/C=C/c1ccccc1 3898931 342986131 /nfs/dbraw/zinc/98/61/31/342986131.db2.gz DPFSUMYBQCUYEJ-ZHACJKMWSA-N 1 0 196.273 2.682 50 0 AFAARO C1=C[N@@H+]2CC[C@H]1[C@H](c1ccccc1)C2 4101141 342987506 /nfs/dbraw/zinc/98/75/06/342987506.db2.gz XXXSCUCFBYKATL-STQMWFEESA-N 1 0 185.270 2.619 50 0 AFAARO CC(C)[N@@H+]1CC[C@H](c2ccccc2)C1 4124771 342987589 /nfs/dbraw/zinc/98/75/89/342987589.db2.gz IKRKNBZNWVMXDM-ZDUSSCGKSA-N 1 0 189.302 2.884 50 0 AFAARO Cc1cc(C)c2cc3c(cc2[nH+]1)NCC3 4124781 342987695 /nfs/dbraw/zinc/98/76/95/342987695.db2.gz IFBABHQTPOHUCZ-UHFFFAOYSA-N 1 0 198.269 2.820 50 0 AFAARO CCC12C[C@@H]3C[C@@H](CC([NH3+])(C3)C1)C2 4141357 342987781 /nfs/dbraw/zinc/98/77/81/342987781.db2.gz OVQNSGBYKOJYBK-ZYANWLCNSA-N 1 0 179.307 2.694 50 0 AFAARO C[C@H]([NH3+])CCc1ccccc1Cl 4169258 342988226 /nfs/dbraw/zinc/98/82/26/342988226.db2.gz JPYONMJJWKTSBP-QMMMGPOBSA-N 1 0 183.682 2.620 50 0 AFAARO C[C@H]([NH3+])c1ccc2c(c1)CCCC2 4206386 342988522 /nfs/dbraw/zinc/98/85/22/342988522.db2.gz YJZYMMDEDLLIIP-VIFPVBQESA-N 1 0 175.275 2.585 50 0 in-vitro AFAARO CC1(C)CC(C)(C)CC(C)([NH3+])C1 4217734 342988675 /nfs/dbraw/zinc/98/86/75/342988675.db2.gz OGZQTTHDGQBLBT-UHFFFAOYSA-N 1 0 169.312 2.940 50 0 investigational AFAARO CCc1ccc([C@H]([NH3+])C(C)C)cc1 4206611 342988691 /nfs/dbraw/zinc/98/86/91/342988691.db2.gz AZZNVHCGSSIBSF-GFCCVEGCSA-N 1 0 177.291 2.905 50 0 in-vitro AFAARO Cc1ccc([C@@H]2CCC[NH2+]2)cc1C 4234769 342989252 /nfs/dbraw/zinc/98/92/52/342989252.db2.gz UWEGZHRBGMAQHN-LBPRGKRZSA-N 1 0 175.275 2.728 50 0 in-vitro AFAARO Cc1ccc(C)c([C@@H]2CCC[NH2+]2)c1 4237589 342989447 /nfs/dbraw/zinc/98/94/47/342989447.db2.gz YDFGECBUKLAMHF-LBPRGKRZSA-N 1 0 175.275 2.728 50 0 in-vitro AFAARO Cc1c(C)c(C)c(C[NH3+])c(C)c1C 4323627 342990481 /nfs/dbraw/zinc/99/04/81/342990481.db2.gz SKSAJXRVVUDTKL-UHFFFAOYSA-N 1 0 177.291 2.687 50 0 in-vitro AFAARO CCCCC[C@H]1[NH+]=C(N)C[C@H]1C 4422975 342992011 /nfs/dbraw/zinc/99/20/11/342992011.db2.gz ROPYVXBCVYBUPM-RKDXNWHRSA-N 1 0 168.284 2.542 50 0 AFAARO CCCCCC[C@@H](C)[NH+](C)C 4576626 342993019 /nfs/dbraw/zinc/99/30/19/342993019.db2.gz JXXZVUDFXQNPRZ-SNVBAGLBSA-N 1 0 157.301 2.907 50 0 AFAARO Cc1ccc(C[NH+]2CCCC2)cc1 4690951 342993991 /nfs/dbraw/zinc/99/39/91/342993991.db2.gz NSNHEJLADTWTFE-UHFFFAOYSA-N 1 0 175.275 2.591 50 0 AFAARO CCC[NH2+]CCC1=CCCCC1 4699728 342994183 /nfs/dbraw/zinc/99/41/83/342994183.db2.gz DVGHUOYENMDAMQ-UHFFFAOYSA-N 1 0 167.296 2.877 50 0 in-vitro AFAARO CC1CC[NH+](Cc2ccccc2)CC1 4691016 342994303 /nfs/dbraw/zinc/99/43/03/342994303.db2.gz PWZKIZAHIAGUMK-UHFFFAOYSA-N 1 0 189.302 2.919 50 0 AFAARO CC[C@@H]([NH3+])c1ccc2c(c1)CCCC2 4938437 342996925 /nfs/dbraw/zinc/99/69/25/342996925.db2.gz QTSMNFDLNTZOCT-CYBMUJFWSA-N 1 0 189.302 2.975 50 0 AFAARO CCC1C=C(C=[NH2+])C(=S)S1 4947715 342997066 /nfs/dbraw/zinc/99/70/66/342997066.db2.gz DOTOOLOVJDDGRL-UHFFFAOYSA-N 1 0 171.290 2.597 50 0 AFAARO CC[C@H]1CO[C@@](C)(CCC(C)C)[NH2+]1 4975867 342997308 /nfs/dbraw/zinc/99/73/08/342997308.db2.gz QJMLZAWFWIPNOD-QWRGUYRKSA-N 1 0 185.311 2.537 50 0 AFAARO CCc1[nH+]c2ccccc2c(N)c1C 4964294 342997372 /nfs/dbraw/zinc/99/73/72/342997372.db2.gz SSFBPJZCBDRHJF-UHFFFAOYSA-N 1 0 186.258 2.688 50 0 AFAARO CC[C@@H]1CO[C@](C)(CCC(C)C)[NH2+]1 4975870 342997479 /nfs/dbraw/zinc/99/74/79/342997479.db2.gz QJMLZAWFWIPNOD-GHMZBOCLSA-N 1 0 185.311 2.537 50 0 AFAARO CC[C@@H]1CO[C@@](C)(CCC(C)C)[NH2+]1 4975865 342997484 /nfs/dbraw/zinc/99/74/84/342997484.db2.gz QJMLZAWFWIPNOD-MNOVXSKESA-N 1 0 185.311 2.537 50 0 AFAARO CC(C)[NH2+][C@H](C)c1ccccc1 5239969 343000215 /nfs/dbraw/zinc/00/02/15/343000215.db2.gz QFUIZDLZUZDWJH-SNVBAGLBSA-N 1 0 163.264 2.746 50 0 in-vitro AFAARO CC(C)[C@@H]1[NH2+]CCc2ccccc21 5285135 343000614 /nfs/dbraw/zinc/00/06/14/343000614.db2.gz ZGSAVXFMPOZYTJ-LBPRGKRZSA-N 1 0 175.275 2.529 50 0 in-vitro AFAARO CCC([NH3+])(CC)c1ccccc1 5307605 343000856 /nfs/dbraw/zinc/00/08/56/343000856.db2.gz JOGPHRRMASCZSC-UHFFFAOYSA-N 1 0 163.264 2.661 50 0 in-vitro AFAARO C[NH+](C)C(C)(C)Cc1ccccc1 5357274 343001557 /nfs/dbraw/zinc/00/15/57/343001557.db2.gz MBCFMLHGGRXRFH-UHFFFAOYSA-N 1 0 177.291 2.569 50 0 AFAARO CC1=C[C@H](C)[C@H](C[NH+](C)C)[C@H](C)C1 5527938 343004471 /nfs/dbraw/zinc/00/44/71/343004471.db2.gz WNWZCRBTVSIPOX-TUAOUCFPSA-N 1 0 181.323 2.786 50 0 AFAARO CC1=C[C@H](C)[C@H](C[NH+](C)C)[C@@H](C)C1 5529080 343004536 /nfs/dbraw/zinc/00/45/36/343004536.db2.gz WNWZCRBTVSIPOX-SRVKXCTJSA-N 1 0 181.323 2.786 50 0 AFAARO CC1=C[C@@H](C)[C@H](C[NH+](C)C)[C@H](C)C1 5527940 343004641 /nfs/dbraw/zinc/00/46/41/343004641.db2.gz WNWZCRBTVSIPOX-UTUOFQBUSA-N 1 0 181.323 2.786 50 0 AFAARO C[C@H]([NH3+])CC12CC3CC(CC(C3)C1)C2 5734841 343007149 /nfs/dbraw/zinc/00/71/49/343007149.db2.gz IZRZEBNCIWGCDK-TWJXAIAZSA-N 1 0 193.334 2.940 50 0 in-vitro AFAARO CCCC[NH2+]Cc1ccc(OC)cc1 5792831 343008503 /nfs/dbraw/zinc/00/85/03/343008503.db2.gz IBTNQSONKQDXNY-UHFFFAOYSA-N 1 0 193.290 2.585 50 0 AFAARO CCCCC[NH2+][C@@H](C)CCC 5820690 343008750 /nfs/dbraw/zinc/00/87/50/343008750.db2.gz ZHGJYFYOVKKNQY-JTQLQIEISA-N 1 0 157.301 2.955 50 0 AFAARO CCCC[C@@H](CC)C[NH+](C)C 5821751 343008758 /nfs/dbraw/zinc/00/87/58/343008758.db2.gz OQADVBLQZQTGLL-SNVBAGLBSA-N 1 0 157.301 2.764 50 0 AFAARO CC[C@H](C)[NH2+]Cc1ccc(F)cc1 5907922 343009473 /nfs/dbraw/zinc/00/94/73/343009473.db2.gz ZDIMCFHGMAHYSX-VIFPVBQESA-N 1 0 181.254 2.714 50 0 AFAARO CC[C@H](C)[NH2+]Cc1sccc1C 5907911 343009475 /nfs/dbraw/zinc/00/94/75/343009475.db2.gz NUDFKGPGTCEWRP-VIFPVBQESA-N 1 0 183.320 2.945 50 0 in-vitro AFAARO CC[C@H](C)[NH2+]Cc1ccc(C)s1 5907932 343009597 /nfs/dbraw/zinc/00/95/97/343009597.db2.gz MDCNRQVLVQOPJQ-QMMMGPOBSA-N 1 0 183.320 2.945 50 0 AFAARO CC[C@H]([NH3+])Cc1ccc(Cl)cc1 5923061 343009635 /nfs/dbraw/zinc/00/96/35/343009635.db2.gz BDZUAWTZJXBMLX-JTQLQIEISA-N 1 0 183.682 2.620 50 0 in-vitro AFAARO CC[C@@H]([NH3+])Cc1ccc(Cl)cc1 5925782 343009872 /nfs/dbraw/zinc/00/98/72/343009872.db2.gz BDZUAWTZJXBMLX-SNVBAGLBSA-N 1 0 183.682 2.620 50 0 in-vitro AFAARO CC(C)[NH2+]Cc1cccc(Cl)c1 5962954 343010420 /nfs/dbraw/zinc/01/04/20/343010420.db2.gz QHMAGMOPVYVISF-UHFFFAOYSA-N 1 0 183.682 2.838 50 0 AFAARO CCCC[NH2+]Cc1cccc(OC)c1 5973587 343010619 /nfs/dbraw/zinc/01/06/19/343010619.db2.gz YWAIQZVYGOQBMO-UHFFFAOYSA-N 1 0 193.290 2.585 50 0 in-vitro AFAARO CCCC[NH2+]Cc1cccc(F)c1 5973584 343010647 /nfs/dbraw/zinc/01/06/47/343010647.db2.gz CDZXTUXULNFHSG-UHFFFAOYSA-N 1 0 181.254 2.715 50 0 AFAARO CCCC[NH2+]Cc1ccccc1F 5973593 343010713 /nfs/dbraw/zinc/01/07/13/343010713.db2.gz WSMSXSDYRRSIRN-UHFFFAOYSA-N 1 0 181.254 2.715 50 0 in-vitro AFAARO CCCC[NH2+]Cc1ccccc1C 5973590 343010745 /nfs/dbraw/zinc/01/07/45/343010745.db2.gz MACCIKTTYKTPKG-UHFFFAOYSA-N 1 0 177.291 2.885 50 0 in-vitro AFAARO Cc1ccsc1C[NH2+]CC(C)C 5982097 343010989 /nfs/dbraw/zinc/01/09/89/343010989.db2.gz RAFNNRGHNQPSGA-UHFFFAOYSA-N 1 0 183.320 2.802 50 0 AFAARO CCC[NH2+]Cc1cccc(Cl)c1 6380495 343014117 /nfs/dbraw/zinc/01/41/17/343014117.db2.gz SVGHLUNRWBUQSV-UHFFFAOYSA-N 1 0 183.682 2.840 50 0 AFAARO C[C@H]([NH2+]Cc1cccs1)C1CC1 6651245 343015466 /nfs/dbraw/zinc/01/54/66/343015466.db2.gz SLNAKWHRQJGSCT-QMMMGPOBSA-N 1 0 181.304 2.636 50 0 AFAARO CCC[NH2+]Cc1ccc(C)s1 7262396 343017088 /nfs/dbraw/zinc/01/70/88/343017088.db2.gz FFYHLBNIOBQQDK-UHFFFAOYSA-N 1 0 169.293 2.556 50 0 AFAARO CCCC[NH2+]Cc1ccccc1OC 7261738 343017114 /nfs/dbraw/zinc/01/71/14/343017114.db2.gz QNRGPPFYKDTUIQ-UHFFFAOYSA-N 1 0 193.290 2.585 50 0 in-vitro AFAARO CCC[NH2+]Cc1ccccc1Cl 7262411 343017259 /nfs/dbraw/zinc/01/72/59/343017259.db2.gz CAGPPHJSMNPKJQ-UHFFFAOYSA-N 1 0 183.682 2.840 50 0 in-vitro AFAARO CCC[NH2+]Cc1ccc(SC)cc1 7262380 343017286 /nfs/dbraw/zinc/01/72/86/343017286.db2.gz OGCRTPMXMKIFGS-UHFFFAOYSA-N 1 0 195.331 2.908 50 0 AFAARO CCCC[NH2+]Cc1ccsc1 7261746 343017367 /nfs/dbraw/zinc/01/73/67/343017367.db2.gz ULVKBQORUAAYML-UHFFFAOYSA-N 1 0 169.293 2.638 50 0 in-vitro AFAARO CCC[NH2+]Cc1cccc(OCC)c1 7262399 343017386 /nfs/dbraw/zinc/01/73/86/343017386.db2.gz FNWOKBGVCFEGBJ-UHFFFAOYSA-N 1 0 193.290 2.585 50 0 in-vitro AFAARO CCC[NH2+]C/C=C/c1ccccc1 7262286 343017409 /nfs/dbraw/zinc/01/74/09/343017409.db2.gz XVODXZBINOXIOP-RMKNXTFCSA-N 1 0 175.275 2.699 50 0 in-vitro AFAARO CCC[NH2+]Cc1ccc(CC)cc1 7262375 343017412 /nfs/dbraw/zinc/01/74/12/343017412.db2.gz WNAKIBVJACHNRU-UHFFFAOYSA-N 1 0 177.291 2.749 50 0 AFAARO CC[C@H](C)[NH2+]Cc1ccsc1 7525012 343017942 /nfs/dbraw/zinc/01/79/42/343017942.db2.gz PGSGIQWHDMIDHW-QMMMGPOBSA-N 1 0 169.293 2.636 50 0 in-vitro AFAARO CC[C@H](C)[NH2+]Cc1ccc(C)cc1 8326741 343018136 /nfs/dbraw/zinc/01/81/36/343018136.db2.gz VREWBJMUDAEIED-NSHDSACASA-N 1 0 177.291 2.883 50 0 in-vitro AFAARO CC[C@H](C)[NH2+]Cc1ccc(OC)cc1 8326744 343018198 /nfs/dbraw/zinc/01/81/98/343018198.db2.gz BFIFDYOBNXBOST-JTQLQIEISA-N 1 0 193.290 2.583 50 0 in-vitro AFAARO CCc1ccc(C[NH2+]CC(C)C)cc1 8337962 343018209 /nfs/dbraw/zinc/01/82/09/343018209.db2.gz CRVLROUGAOPIIK-UHFFFAOYSA-N 1 0 191.318 2.995 50 0 in-vitro AFAARO CC[C@H](C)[NH2+]Cc1ccccc1C 8326786 343018302 /nfs/dbraw/zinc/01/83/02/343018302.db2.gz GBGHSGWPPGNEAQ-NSHDSACASA-N 1 0 177.291 2.883 50 0 in-vitro AFAARO CCc1ccc(C[NH2+]C2CC2)cc1 8337948 343018333 /nfs/dbraw/zinc/01/83/33/343018333.db2.gz VOSDUSSQDGEUIO-UHFFFAOYSA-N 1 0 175.275 2.501 50 0 in-vitro AFAARO Cc1ccc(C[NH2+]CC(C)C)cc1 8550080 343018673 /nfs/dbraw/zinc/01/86/73/343018673.db2.gz DOWFOZSZFFZDTE-UHFFFAOYSA-N 1 0 177.291 2.741 50 0 in-vitro AFAARO CCCC[C@@H]([NH3+])c1ccccc1 8700233 343019830 /nfs/dbraw/zinc/01/98/30/343019830.db2.gz LQUVVWBTBOYJAU-LLVKDONJSA-N 1 0 163.264 2.877 50 0 in-vitro AFAARO CCCC[C@H]([NH3+])c1ccccc1 8700232 343019989 /nfs/dbraw/zinc/01/99/89/343019989.db2.gz LQUVVWBTBOYJAU-NSHDSACASA-N 1 0 163.264 2.877 50 0 in-vitro AFAARO Cc1ccsc1C[NH2+]C(C)(C)C 8723256 343020210 /nfs/dbraw/zinc/02/02/10/343020210.db2.gz PZYCTPKZPFXTFM-UHFFFAOYSA-N 1 0 183.320 2.945 50 0 AFAARO CC(C)[NH2+]Cc1ccc(Cl)cc1 8728583 343020302 /nfs/dbraw/zinc/02/03/02/343020302.db2.gz YAZQVBQICNBWOE-UHFFFAOYSA-N 1 0 183.682 2.838 50 0 in-vitro AFAARO Cc1ccc([C@@H]([NH3+])C(C)C)cc1 9245911 343021148 /nfs/dbraw/zinc/02/11/48/343021148.db2.gz DCGCLQGIZXOQQO-NSHDSACASA-N 1 0 163.264 2.651 50 0 AFAARO CC(C)[C@@H]([NH3+])c1ccc(Cl)cc1 9245966 343021519 /nfs/dbraw/zinc/02/15/19/343021519.db2.gz KAIHEXRERGCTPN-SNVBAGLBSA-N 1 0 183.682 2.996 50 0 in-vitro AFAARO CC[C@@H]([NH3+])c1ccc(Cl)cc1 9245964 343021734 /nfs/dbraw/zinc/02/17/34/343021734.db2.gz JAVXFKQNRRUYMG-SECBINFHSA-N 1 0 169.655 2.750 50 0 in-vitro AFAARO CCc1ccc(C[NH2+]C(C)C)cc1 10436035 343022010 /nfs/dbraw/zinc/02/20/10/343022010.db2.gz CQOMDJQMFPQVPW-UHFFFAOYSA-N 1 0 177.291 2.747 50 0 AFAARO CC(C)[NH2+]C[C@H](C)c1ccccc1 10436478 343022039 /nfs/dbraw/zinc/02/20/39/343022039.db2.gz ZZRSCWSJSHLFSI-NSHDSACASA-N 1 0 177.291 2.788 50 0 AFAARO CC(C)[NH2+]C[C@@H](C)c1ccccc1 10436477 343022130 /nfs/dbraw/zinc/02/21/30/343022130.db2.gz ZZRSCWSJSHLFSI-LLVKDONJSA-N 1 0 177.291 2.788 50 0 AFAARO CC(C)[NH2+]CCCc1ccccc1 10120828 343022139 /nfs/dbraw/zinc/02/21/39/343022139.db2.gz AGDHSWAZTKYTNX-UHFFFAOYSA-N 1 0 177.291 2.617 50 0 AFAARO CCC[NH2+][C@@H]1CCC[C@H](C)C1 10473488 343022248 /nfs/dbraw/zinc/02/22/48/343022248.db2.gz XCSDZAOBQAHRBV-VHSXEESVSA-N 1 0 155.285 2.565 50 0 in-vitro AFAARO CCC[NH2+]C[C@H](C)c1ccccc1 10474790 343022538 /nfs/dbraw/zinc/02/25/38/343022538.db2.gz JANKNXRKIYMMTB-NSHDSACASA-N 1 0 177.291 2.790 50 0 AFAARO CCC[NH2+]C[C@@H](C)c1ccccc1 10474789 343022573 /nfs/dbraw/zinc/02/25/73/343022573.db2.gz JANKNXRKIYMMTB-LLVKDONJSA-N 1 0 177.291 2.790 50 0 AFAARO C[C@H](C[NH2+]C1CC1)c1ccccc1 10475299 343022582 /nfs/dbraw/zinc/02/25/82/343022582.db2.gz BUMVSMDZYFQUMG-SNVBAGLBSA-N 1 0 175.275 2.542 50 0 AFAARO Cc1ccc2c(c1)CC[NH2+][C@@H]2C(C)C 11597432 343022974 /nfs/dbraw/zinc/02/29/74/343022974.db2.gz INNMFMOPTDRNQK-CYBMUJFWSA-N 1 0 189.302 2.838 50 0 AFAARO C[C@H]([NH3+])CC(C)(C)c1ccccc1 11631328 343023331 /nfs/dbraw/zinc/02/33/31/343023331.db2.gz ZEKIMUJKTNMBLZ-JTQLQIEISA-N 1 0 177.291 2.702 50 0 in-vitro AFAARO Cc1ccc(C[C@H]2CCC[NH2+]2)cc1C 11630850 343023499 /nfs/dbraw/zinc/02/34/99/343023499.db2.gz RQVINXPNJAMRFB-CYBMUJFWSA-N 1 0 189.302 2.598 50 0 AFAARO Cc1ccc2c(c1)[C@@H]([NH3+])CC(C)(C)O2 11848951 343025427 /nfs/dbraw/zinc/02/54/27/343025427.db2.gz DXZVRFYHBJOICQ-JTQLQIEISA-N 1 0 191.274 2.556 50 0 in-vitro AFAARO Cc1ccc2c(c1)[C@H]([NH3+])CC(C)(C)O2 11848950 343025547 /nfs/dbraw/zinc/02/55/47/343025547.db2.gz DXZVRFYHBJOICQ-SNVBAGLBSA-N 1 0 191.274 2.556 50 0 in-vitro AFAARO Cc1ccc2c(c1)OC(C)(C)C[C@H]2[NH3+] 11848949 343025676 /nfs/dbraw/zinc/02/56/76/343025676.db2.gz BKAPEEZAPOLFQE-SNVBAGLBSA-N 1 0 191.274 2.556 50 0 in-vitro AFAARO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2[NH3+] 11848948 343025762 /nfs/dbraw/zinc/02/57/62/343025762.db2.gz BKAPEEZAPOLFQE-JTQLQIEISA-N 1 0 191.274 2.556 50 0 in-vitro AFAARO C[C@H]1C[C@]1([NH3+])c1ccc(Cl)cc1 11884000 343025974 /nfs/dbraw/zinc/02/59/74/343025974.db2.gz SGEDZMQZECEZOF-OIBJUYFYSA-N 1 0 181.666 2.534 50 0 in-vitro AFAARO CC(C)c1ccc(O[C@@H](C)C[NH3+])cc1 11946129 343026995 /nfs/dbraw/zinc/02/69/95/343026995.db2.gz LVJKQKHHJPPJIN-JTQLQIEISA-N 1 0 193.290 2.536 50 0 in-vitro AFAARO CC(C)c1ccc(O[C@H](C)C[NH3+])cc1 11946134 343027177 /nfs/dbraw/zinc/02/71/77/343027177.db2.gz LVJKQKHHJPPJIN-SNVBAGLBSA-N 1 0 193.290 2.536 50 0 in-vitro AFAARO CC(C)[NH2+]C1CCCCCC1 12382630 343029697 /nfs/dbraw/zinc/02/96/97/343029697.db2.gz BAMIITPCPOUFPY-UHFFFAOYSA-N 1 0 155.285 2.707 50 0 AFAARO CC1CCC([NH2+]Cc2ccco2)CC1 12410107 343030825 /nfs/dbraw/zinc/03/08/25/343030825.db2.gz VVZFFBUMEYIHPW-UHFFFAOYSA-N 1 0 193.290 2.948 50 0 AFAARO Cc1nc2cc(Cl)ccc2n1C 12499478 343031511 /nfs/dbraw/zinc/03/15/11/343031511.db2.gz FLDCSPABIQBYKP-UHFFFAOYSA-N 1 0 180.638 2.535 50 0 AFAARO CC1=[NH+]CCc2c1[nH]c1ccccc21 13130932 343032992 /nfs/dbraw/zinc/03/29/92/343032992.db2.gz CWOYLIJQLSNRRN-UHFFFAOYSA-N 1 0 184.242 2.533 50 0 endogenous,in-man AFAARO CC[C@@H]([NH3+])c1cccc(Cl)c1 13330577 343034013 /nfs/dbraw/zinc/03/40/13/343034013.db2.gz PLIWCUPYMOIFAV-SECBINFHSA-N 1 0 169.655 2.750 50 0 in-vitro AFAARO CCCCOc1cccc([C@H](C)[NH3+])c1 13330587 343034227 /nfs/dbraw/zinc/03/42/27/343034227.db2.gz ZCRMOCHTRUKNAJ-JTQLQIEISA-N 1 0 193.290 2.885 50 0 AFAARO CCCCOc1cccc([C@@H](C)[NH3+])c1 13330585 343034272 /nfs/dbraw/zinc/03/42/72/343034272.db2.gz ZCRMOCHTRUKNAJ-SNVBAGLBSA-N 1 0 193.290 2.885 50 0 AFAARO CC[C@H]([NH3+])c1cccc(Cl)c1 13330579 343034318 /nfs/dbraw/zinc/03/43/18/343034318.db2.gz PLIWCUPYMOIFAV-VIFPVBQESA-N 1 0 169.655 2.750 50 0 in-vitro AFAARO CCC(C)(C)[NH2+]Cc1ccco1 13718268 343036870 /nfs/dbraw/zinc/03/68/70/343036870.db2.gz LWDDSVHDLRGMAY-UHFFFAOYSA-N 1 0 167.252 2.558 50 0 AFAARO CCC(C)(C)[NH2+]Cc1ccccc1 13717798 343036943 /nfs/dbraw/zinc/03/69/43/343036943.db2.gz HPTWZQNAGHDMIA-UHFFFAOYSA-N 1 0 177.291 2.965 50 0 AFAARO C[N@@H+]1CCC[C@H]1c1cccnc1Cl 13798266 343037548 /nfs/dbraw/zinc/03/75/48/343037548.db2.gz OEGZWGGGKAPRAN-VIFPVBQESA-N 1 0 196.681 2.502 50 0 AFAARO Cc1ccc(C2CC[NH2+]CC2)cc1C 14629008 343039741 /nfs/dbraw/zinc/03/97/41/343039741.db2.gz UZUYWIIAZWKLMB-UHFFFAOYSA-N 1 0 189.302 2.770 50 0 AFAARO Cc1ccc(C)c(C2CC[NH2+]CC2)c1 14629006 343039901 /nfs/dbraw/zinc/03/99/01/343039901.db2.gz NWGUWTWPFOIODL-UHFFFAOYSA-N 1 0 189.302 2.770 50 0 in-vitro AFAARO CC[C@H](C)[NH+]1CCC(C)CC1 15442185 343042181 /nfs/dbraw/zinc/04/21/81/343042181.db2.gz ILNCSBVBXKVVDN-JTQLQIEISA-N 1 0 155.285 2.517 50 0 AFAARO CCC[N@@H+]1CCCC[C@H]1CC 15782006 343042488 /nfs/dbraw/zinc/04/24/88/343042488.db2.gz CWCDAGCVLACRMX-SNVBAGLBSA-N 1 0 155.285 2.661 50 0 AFAARO CCC[N@@H+]1CCCC[C@@H]1CC 15782004 343042625 /nfs/dbraw/zinc/04/26/25/343042625.db2.gz CWCDAGCVLACRMX-JTQLQIEISA-N 1 0 155.285 2.661 50 0 AFAARO CCCCCCc1cc[nH+]c(N)c1 15781927 343042787 /nfs/dbraw/zinc/04/27/87/343042787.db2.gz YCJGWNCXRNDPKM-UHFFFAOYSA-N 1 0 178.279 2.787 50 0 AFAARO Cc1c(Cl)ccc2cc(C[NH3+])[nH]c12 16941565 343045060 /nfs/dbraw/zinc/04/50/60/343045060.db2.gz HECWFEVSLMFIBR-UHFFFAOYSA-N 1 0 194.665 2.588 50 0 in-vitro AFAARO Cc1cc(N)c2cc(Cl)ccc2[nH+]1 17010462 343045479 /nfs/dbraw/zinc/04/54/79/343045479.db2.gz LEQBRGIPLABKAS-UHFFFAOYSA-N 1 0 192.649 2.779 50 0 in-vitro AFAARO CCC[NH2+]Cc1ccc(Cl)cc1 17744314 343047491 /nfs/dbraw/zinc/04/74/91/343047491.db2.gz ZZDMTQUDHVPBHC-UHFFFAOYSA-N 1 0 183.682 2.840 50 0 in-vitro AFAARO CC1(C)CC([NH3+])CC(C)(C)C1 17418093 343046939 /nfs/dbraw/zinc/04/69/39/343046939.db2.gz HUIXANYOOSRZMC-UHFFFAOYSA-N 1 0 155.285 2.550 50 0 in-vitro AFAARO CC(C)[C@@H](C)[NH2+]Cc1ccccc1 19091296 343050114 /nfs/dbraw/zinc/05/01/14/343050114.db2.gz VSTYIEJFRYCKGB-LLVKDONJSA-N 1 0 177.291 2.821 50 0 in-vitro AFAARO CCC[NH2+]C1CCCCCC1 19091347 343050268 /nfs/dbraw/zinc/05/02/68/343050268.db2.gz QHZWWLYWZPCJMN-UHFFFAOYSA-N 1 0 155.285 2.709 50 0 AFAARO CCCC[C@@H]([NH2+]C)c1cccnc1 19091684 343050617 /nfs/dbraw/zinc/05/06/17/343050617.db2.gz GBQPHDRKFIHLMD-LLVKDONJSA-N 1 0 178.279 2.532 50 0 in-vitro AFAARO CCCC[C@H]([NH2+]C)c1cccnc1 19091687 343050756 /nfs/dbraw/zinc/05/07/56/343050756.db2.gz GBQPHDRKFIHLMD-NSHDSACASA-N 1 0 178.279 2.532 50 0 in-vitro AFAARO Cc1cc(C)c2[nH+]c(C)cc(N)c2c1 19092878 343050859 /nfs/dbraw/zinc/05/08/59/343050859.db2.gz SLSWQXZTEPDTDH-UHFFFAOYSA-N 1 0 186.258 2.742 50 0 in-vitro AFAARO C[C@H]([NH2+]C1CC1)c1cccc(F)c1 19275854 343052394 /nfs/dbraw/zinc/05/23/94/343052394.db2.gz UXVMDYRPNAIGLL-QMMMGPOBSA-N 1 0 179.238 2.639 50 0 AFAARO Cc1ccc([C@H](C)[NH2+]C2CC2)s1 19276618 343052488 /nfs/dbraw/zinc/05/24/88/343052488.db2.gz KJDJDECHSGUCBL-QMMMGPOBSA-N 1 0 181.304 2.870 50 0 AFAARO Cc1cccc([C@@H]2CCC[NH2+]2)c1C 19264528 343052533 /nfs/dbraw/zinc/05/25/33/343052533.db2.gz GDTROIDATJNSAV-LBPRGKRZSA-N 1 0 175.275 2.728 50 0 in-vitro AFAARO Cc1cccc([C@H]2CCC[NH2+]2)c1C 19264530 343052705 /nfs/dbraw/zinc/05/27/05/343052705.db2.gz GDTROIDATJNSAV-GFCCVEGCSA-N 1 0 175.275 2.728 50 0 in-vitro AFAARO C[C@H]([NH3+])Cc1ccc2ccccc2c1 19406573 343054506 /nfs/dbraw/zinc/05/45/06/343054506.db2.gz UPQSZFKXKRKCGZ-JTQLQIEISA-N 1 0 185.270 2.730 50 0 in-vivo AFAARO CC[C@H](C)[C@H]([NH3+])c1ccccc1 19415351 343054809 /nfs/dbraw/zinc/05/48/09/343054809.db2.gz PCELVXFUVRHMRO-ONGXEEELSA-N 1 0 163.264 2.733 50 0 AFAARO CCCC[C@@H]([NH3+])c1ccc(OC)cc1 19415327 343054812 /nfs/dbraw/zinc/05/48/12/343054812.db2.gz MAQCJIYQOOBEKW-GFCCVEGCSA-N 1 0 193.290 2.885 50 0 in-vitro AFAARO CC[C@H](C)[C@@H]([NH3+])c1ccccc1 19415347 343054834 /nfs/dbraw/zinc/05/48/34/343054834.db2.gz PCELVXFUVRHMRO-GXSJLCMTSA-N 1 0 163.264 2.733 50 0 AFAARO CCCC[C@H]([NH3+])c1ccc(OC)cc1 19415329 343054836 /nfs/dbraw/zinc/05/48/36/343054836.db2.gz MAQCJIYQOOBEKW-LBPRGKRZSA-N 1 0 193.290 2.885 50 0 in-vitro AFAARO CCC[NH2+][C@@H](C)c1cccc(OC)c1 19433496 343055040 /nfs/dbraw/zinc/05/50/40/343055040.db2.gz JPIAIARTLGDOET-JTQLQIEISA-N 1 0 193.290 2.756 50 0 AFAARO CCC[NH2+][C@@H](C)c1ccc(C)o1 19435072 343055092 /nfs/dbraw/zinc/05/50/92/343055092.db2.gz KECJRBDMKCEXRA-VIFPVBQESA-N 1 0 167.252 2.649 50 0 AFAARO CCC[NH2+][C@H](C)c1cccc(OC)c1 19433498 343055119 /nfs/dbraw/zinc/05/51/19/343055119.db2.gz JPIAIARTLGDOET-SNVBAGLBSA-N 1 0 193.290 2.756 50 0 AFAARO CCC[NH2+][C@@H]1CCCC[C@@H]1C 19435813 343055213 /nfs/dbraw/zinc/05/52/13/343055213.db2.gz KZEUCUMBPHGUIX-VHSXEESVSA-N 1 0 155.285 2.565 50 0 AFAARO CCC[NH2+][C@@H]1CCCC[C@H]1C 19435817 343055214 /nfs/dbraw/zinc/05/52/14/343055214.db2.gz KZEUCUMBPHGUIX-NXEZZACHSA-N 1 0 155.285 2.565 50 0 AFAARO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH3+] 19473576 343055457 /nfs/dbraw/zinc/05/54/57/343055457.db2.gz RELXSYKVCJJEHC-SECBINFHSA-N 1 0 179.263 2.560 50 0 AFAARO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH3+] 19473574 343055631 /nfs/dbraw/zinc/05/56/31/343055631.db2.gz RELXSYKVCJJEHC-VIFPVBQESA-N 1 0 179.263 2.560 50 0 AFAARO CCC[NH2+][C@H](C)c1cccs1 19488693 343056536 /nfs/dbraw/zinc/05/65/36/343056536.db2.gz QCPHSRPYXVWDCH-MRVPVSSYSA-N 1 0 169.293 2.809 50 0 AFAARO CCC[NH2+][C@@H](C)c1cccs1 19488692 343056651 /nfs/dbraw/zinc/05/66/51/343056651.db2.gz QCPHSRPYXVWDCH-QMMMGPOBSA-N 1 0 169.293 2.809 50 0 AFAARO CC1(C)CC[C@@H]([NH3+])c2ccccc21 19727464 343058780 /nfs/dbraw/zinc/05/87/80/343058780.db2.gz PQWSVQOVSHHKNZ-LLVKDONJSA-N 1 0 175.275 2.758 50 0 AFAARO CC[C@@H](C[NH3+])c1ccc(Cl)cc1 19726095 343058795 /nfs/dbraw/zinc/05/87/95/343058795.db2.gz RJFMLPKMQRNGHM-QMMMGPOBSA-N 1 0 183.682 2.792 50 0 AFAARO CC[C@H](C[NH3+])c1ccc(Cl)cc1 19726096 343058981 /nfs/dbraw/zinc/05/89/81/343058981.db2.gz RJFMLPKMQRNGHM-MRVPVSSYSA-N 1 0 183.682 2.792 50 0 AFAARO CC1(C)CC[C@H]([NH3+])c2ccccc21 19727466 343058998 /nfs/dbraw/zinc/05/89/98/343058998.db2.gz PQWSVQOVSHHKNZ-NSHDSACASA-N 1 0 175.275 2.758 50 0 AFAARO CC(C)c1ccc2c(c1)[C@H]([NH3+])CC2 19727489 343059053 /nfs/dbraw/zinc/05/90/53/343059053.db2.gz RMJKUZYESJIKTQ-GFCCVEGCSA-N 1 0 175.275 2.756 50 0 AFAARO CC[C@@H]([NH3+])c1ccc(Cl)s1 19737256 343059970 /nfs/dbraw/zinc/05/99/70/343059970.db2.gz CQHFAMGIJTYXRN-RXMQYKEDSA-N 1 0 175.684 2.811 50 0 in-vitro AFAARO CCCCC1CCC(C[NH3+])CC1 19804257 343060754 /nfs/dbraw/zinc/06/07/54/343060754.db2.gz NIJLYVTWQJRRDE-UHFFFAOYSA-N 1 0 169.312 2.942 50 0 in-vitro AFAARO CCC[NH2+]Cc1ccc(C)cc1C 19807354 343060963 /nfs/dbraw/zinc/06/09/63/343060963.db2.gz JHDVZYNQODUZLB-UHFFFAOYSA-N 1 0 177.291 2.803 50 0 AFAARO CCc1ccc(C2=CC[NH2+]CC2)cc1 19811421 343061305 /nfs/dbraw/zinc/06/13/05/343061305.db2.gz ZQNRDVQYZGESMB-UHFFFAOYSA-N 1 0 187.286 2.626 50 0 in-vitro AFAARO Cc1cc(F)ccc1C1CC[NH2+]CC1 19835087 343061710 /nfs/dbraw/zinc/06/17/10/343061710.db2.gz WRNBESYVLLWWFO-UHFFFAOYSA-N 1 0 193.265 2.601 50 0 in-vitro AFAARO CCCC[C@H]([NH3+])c1cccs1 19842306 343062121 /nfs/dbraw/zinc/06/21/21/343062121.db2.gz XOFHPRWKOBDSSI-QMMMGPOBSA-N 1 0 169.293 2.938 50 0 AFAARO CCCC[C@@H]([NH3+])c1cccs1 19842304 343062130 /nfs/dbraw/zinc/06/21/30/343062130.db2.gz XOFHPRWKOBDSSI-MRVPVSSYSA-N 1 0 169.293 2.938 50 0 AFAARO CC(C)[NH2+][C@@H](C)c1cccs1 19880564 343062984 /nfs/dbraw/zinc/06/29/84/343062984.db2.gz IAQQGLXGAAJBNV-QMMMGPOBSA-N 1 0 169.293 2.807 50 0 AFAARO CC(C)[NH2+]C1[C@H](C)CCC[C@H]1C 19880421 343062863 /nfs/dbraw/zinc/06/28/63/343062863.db2.gz SXKKFHLFFKXIRF-NXEZZACHSA-N 1 0 169.312 2.809 50 0 AFAARO CC(C)[NH2+][C@@H]1CCc2ccccc21 19880610 343062876 /nfs/dbraw/zinc/06/28/76/343062876.db2.gz HAKCEIHXZSWMGW-GFCCVEGCSA-N 1 0 175.275 2.672 50 0 AFAARO CC(C)[NH2+][C@H](C)c1cccs1 19880566 343062931 /nfs/dbraw/zinc/06/29/31/343062931.db2.gz IAQQGLXGAAJBNV-MRVPVSSYSA-N 1 0 169.293 2.807 50 0 AFAARO CCC(C)(C)[NH2+]Cc1ccc(C)o1 19879761 343062932 /nfs/dbraw/zinc/06/29/32/343062932.db2.gz HPZUUIOBKHXXNX-UHFFFAOYSA-N 1 0 181.279 2.866 50 0 AFAARO CC(C)[NH2+][C@H](C)c1ccccc1F 19880576 343062994 /nfs/dbraw/zinc/06/29/94/343062994.db2.gz DNJBOLBZSIJZOU-SECBINFHSA-N 1 0 181.254 2.885 50 0 AFAARO CC(C)[NH2+][C@@H]1CCCC[C@H]1C 19880404 343062997 /nfs/dbraw/zinc/06/29/97/343062997.db2.gz UPHMFGWCRAJMPC-NXEZZACHSA-N 1 0 155.285 2.563 50 0 AFAARO CC(C)[NH2+][C@H]1CCc2ccccc21 19880613 343063011 /nfs/dbraw/zinc/06/30/11/343063011.db2.gz HAKCEIHXZSWMGW-LBPRGKRZSA-N 1 0 175.275 2.672 50 0 AFAARO CC(C)[NH2+][C@@H](C)c1ccc(F)cc1 19880579 343063023 /nfs/dbraw/zinc/06/30/23/343063023.db2.gz AGHIBRJHSPTBHT-VIFPVBQESA-N 1 0 181.254 2.885 50 0 AFAARO CC(C)[NH2+][C@@H](C)c1ccccc1F 19880574 343063031 /nfs/dbraw/zinc/06/30/31/343063031.db2.gz DNJBOLBZSIJZOU-VIFPVBQESA-N 1 0 181.254 2.885 50 0 AFAARO CC(C)[NH2+]C1[C@@H](C)CCC[C@@H]1C 19880417 343063046 /nfs/dbraw/zinc/06/30/46/343063046.db2.gz SXKKFHLFFKXIRF-UWVGGRQHSA-N 1 0 169.312 2.809 50 0 AFAARO CC(C)[NH2+][C@@H](C)c1cccc(F)c1 19880960 343063047 /nfs/dbraw/zinc/06/30/47/343063047.db2.gz GJJGQEUDMNPRNY-VIFPVBQESA-N 1 0 181.254 2.885 50 0 AFAARO CC(C)[NH2+][C@@H]1CCCC[C@@H]1C 19880400 343063075 /nfs/dbraw/zinc/06/30/75/343063075.db2.gz UPHMFGWCRAJMPC-VHSXEESVSA-N 1 0 155.285 2.563 50 0 AFAARO CC(C)[NH2+][C@H]1CCCC[C@@H]1C 19880402 343063085 /nfs/dbraw/zinc/06/30/85/343063085.db2.gz UPHMFGWCRAJMPC-UWVGGRQHSA-N 1 0 155.285 2.563 50 0 AFAARO CC(C)[NH2+][C@H](C)c1cccc(F)c1 19880964 343063089 /nfs/dbraw/zinc/06/30/89/343063089.db2.gz GJJGQEUDMNPRNY-SECBINFHSA-N 1 0 181.254 2.885 50 0 AFAARO CC(C)[C@H](C)[NH2+]C1CCCCC1 19879046 343063093 /nfs/dbraw/zinc/06/30/93/343063093.db2.gz RWKJGJABTAHECS-JTQLQIEISA-N 1 0 169.312 2.953 50 0 AFAARO CC(C)[C@@H](C)[NH2+]C1CCCCC1 19879044 343063112 /nfs/dbraw/zinc/06/31/12/343063112.db2.gz RWKJGJABTAHECS-SNVBAGLBSA-N 1 0 169.312 2.953 50 0 AFAARO CC[C@H](C)[NH2+]Cc1cccc(F)c1 19881862 343063194 /nfs/dbraw/zinc/06/31/94/343063194.db2.gz YXTBARWCBNIGDM-VIFPVBQESA-N 1 0 181.254 2.714 50 0 AFAARO Cc1ccc([C@H](C)[NH2+]CC(C)C)o1 19883090 343063198 /nfs/dbraw/zinc/06/31/98/343063198.db2.gz NBPJMJFCLDMHNN-JTQLQIEISA-N 1 0 181.279 2.895 50 0 AFAARO CC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 19881878 343063253 /nfs/dbraw/zinc/06/32/53/343063253.db2.gz ROHFXYWHSAYEPJ-QMMMGPOBSA-N 1 0 199.244 2.853 50 0 AFAARO Cc1cccc(C[NH2+]CC(C)C)c1 19882932 343063256 /nfs/dbraw/zinc/06/32/56/343063256.db2.gz DRVVGYSIQIUGRR-UHFFFAOYSA-N 1 0 177.291 2.741 50 0 in-vitro AFAARO CC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C 19881923 343063280 /nfs/dbraw/zinc/06/32/80/343063280.db2.gz OIZHKVFLWCNMPM-DCAQKATOSA-N 1 0 169.312 2.953 50 0 AFAARO CC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C 19881920 343063330 /nfs/dbraw/zinc/06/33/30/343063330.db2.gz OIZHKVFLWCNMPM-GARJFASQSA-N 1 0 169.312 2.953 50 0 AFAARO CC[C@H](C)[NH2+]Cc1cccc(C)c1 19881871 343063344 /nfs/dbraw/zinc/06/33/44/343063344.db2.gz FXYQPIHNQMUXND-NSHDSACASA-N 1 0 177.291 2.883 50 0 AFAARO Cc1ccc([C@@H](C)[NH2+]CC(C)C)o1 19883091 343063378 /nfs/dbraw/zinc/06/33/78/343063378.db2.gz NBPJMJFCLDMHNN-SNVBAGLBSA-N 1 0 181.279 2.895 50 0 AFAARO CC[C@H](C)[NH2+]Cc1ccc(F)cc1F 19881847 343063387 /nfs/dbraw/zinc/06/33/87/343063387.db2.gz IGOSZLFAANMAOG-QMMMGPOBSA-N 1 0 199.244 2.853 50 0 AFAARO CC[C@H](C)[NH2+]C1CCC(C)CC1 19881886 343063527 /nfs/dbraw/zinc/06/35/27/343063527.db2.gz AXCSAFQXFKHKLF-YVNMAJEFSA-N 1 0 169.312 2.953 50 0 AFAARO CCC1CCC([NH2+][C@H](C)COC)CC1 19904390 343063576 /nfs/dbraw/zinc/06/35/76/343063576.db2.gz UNGGSAKIJWQSGL-VOMCLLRMSA-N 1 0 199.338 2.580 50 0 AFAARO CCC1CCC([NH2+][C@@H](C)COC)CC1 19904389 343063701 /nfs/dbraw/zinc/06/37/01/343063701.db2.gz UNGGSAKIJWQSGL-UNXYVOJBSA-N 1 0 199.338 2.580 50 0 AFAARO CCC(CC)[NH2+]Cc1ccc(C)o1 19883784 343063825 /nfs/dbraw/zinc/06/38/25/343063825.db2.gz CTFKWROUTDOPGL-UHFFFAOYSA-N 1 0 181.279 2.866 50 0 AFAARO CCC[NH2+]C12CC3CC(CC(C3)C1)C2 19885982 343063727 /nfs/dbraw/zinc/06/37/27/343063727.db2.gz HHXUWTNTZZFUGH-UHFFFAOYSA-N 1 0 193.334 2.955 50 0 AFAARO CC[C@H](C)[NH2+]CCc1ccc(F)cc1 19904182 343063754 /nfs/dbraw/zinc/06/37/54/343063754.db2.gz QUVZNUALAJSECA-JTQLQIEISA-N 1 0 195.281 2.756 50 0 AFAARO CCCCC[NH2+]Cc1ccc(C)o1 19901264 343063814 /nfs/dbraw/zinc/06/38/14/343063814.db2.gz IVWYZLPEFDSHAX-UHFFFAOYSA-N 1 0 181.279 2.868 50 0 AFAARO CCCC[NH2+][C@@H]1CCCC[C@H]1C 19906933 343064003 /nfs/dbraw/zinc/06/40/03/343064003.db2.gz XUUVYGVYVQRMAD-GHMZBOCLSA-N 1 0 169.312 2.955 50 0 AFAARO CCCC[NH2+][C@@H]1CCC[C@@H](C)C1 19906935 343064018 /nfs/dbraw/zinc/06/40/18/343064018.db2.gz KFJUEEKIJVBZSQ-GHMZBOCLSA-N 1 0 169.312 2.955 50 0 AFAARO CCCC[NH2+][C@H]1CCCC[C@H]1C 19906934 343064024 /nfs/dbraw/zinc/06/40/24/343064024.db2.gz XUUVYGVYVQRMAD-MNOVXSKESA-N 1 0 169.312 2.955 50 0 AFAARO CC[C@H](C)[NH2+]CCc1ccccc1F 19912819 343064099 /nfs/dbraw/zinc/06/40/99/343064099.db2.gz YJHHTABTMSFBET-JTQLQIEISA-N 1 0 195.281 2.756 50 0 AFAARO CCCC[NH2+][C@H]1CCCC[C@@H]1C 19906932 343064121 /nfs/dbraw/zinc/06/41/21/343064121.db2.gz XUUVYGVYVQRMAD-QWRGUYRKSA-N 1 0 169.312 2.955 50 0 AFAARO CCCC[NH2+]Cc1ccc(F)c(F)c1 19906920 343064125 /nfs/dbraw/zinc/06/41/25/343064125.db2.gz VHHYOIGQBOCSDX-UHFFFAOYSA-N 1 0 199.244 2.855 50 0 AFAARO Cc1ccc(C[NH2+]CCC(C)C)o1 19911866 343064143 /nfs/dbraw/zinc/06/41/43/343064143.db2.gz BBENHMPZFVAOIJ-UHFFFAOYSA-N 1 0 181.279 2.724 50 0 AFAARO CCCC[NH2+]Cc1c(F)cccc1F 19906919 343064154 /nfs/dbraw/zinc/06/41/54/343064154.db2.gz JPFAWXZRKKENMB-UHFFFAOYSA-N 1 0 199.244 2.855 50 0 AFAARO CCCC[NH2+][C@@H]1CCC[C@H](C)C1 19906937 343064193 /nfs/dbraw/zinc/06/41/93/343064193.db2.gz KFJUEEKIJVBZSQ-WDEREUQCSA-N 1 0 169.312 2.955 50 0 AFAARO CCCC[NH2+][C@H]1CCC[C@H](C)C1 19906938 343064232 /nfs/dbraw/zinc/06/42/32/343064232.db2.gz KFJUEEKIJVBZSQ-QWRGUYRKSA-N 1 0 169.312 2.955 50 0 AFAARO CCCC[NH2+][C@@H]1CCCC[C@@H]1C 19906931 343064245 /nfs/dbraw/zinc/06/42/45/343064245.db2.gz XUUVYGVYVQRMAD-WDEREUQCSA-N 1 0 169.312 2.955 50 0 AFAARO CC(C)[C@@H](C)[NH2+]Cc1ccc(F)cc1 19943790 343064436 /nfs/dbraw/zinc/06/44/36/343064436.db2.gz SRSPEKHNLFPZBG-SNVBAGLBSA-N 1 0 195.281 2.960 50 0 AFAARO C[C@H]([NH2+]Cc1ccc(F)cc1)C1CC1 19943721 343064647 /nfs/dbraw/zinc/06/46/47/343064647.db2.gz GCCADRCRXVOFPO-VIFPVBQESA-N 1 0 193.265 2.714 50 0 AFAARO CC[C@H](C)[NH2+]CCc1cccs1 19949430 343065008 /nfs/dbraw/zinc/06/50/08/343065008.db2.gz QZTBJMXIUFWSPT-VIFPVBQESA-N 1 0 183.320 2.679 50 0 AFAARO CC(C)[C@@H]([NH3+])c1ccc(F)c(F)c1 19968384 343065395 /nfs/dbraw/zinc/06/53/95/343065395.db2.gz YDJBORNWZZLRGS-SNVBAGLBSA-N 1 0 185.217 2.621 50 0 AFAARO CC(C)[C@@H]([NH3+])c1ccc(F)cc1F 19968924 343065449 /nfs/dbraw/zinc/06/54/49/343065449.db2.gz LGCSZOFAQLXAQA-SNVBAGLBSA-N 1 0 185.217 2.621 50 0 AFAARO CC(C)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C 19963287 343065492 /nfs/dbraw/zinc/06/54/92/343065492.db2.gz DEHOCXVAHNPINL-GARJFASQSA-N 1 0 169.312 2.809 50 0 AFAARO CC[C@H]([NH3+])c1cc(C)ccc1C 19971523 343065770 /nfs/dbraw/zinc/06/57/70/343065770.db2.gz XPMSOVRYPXMULZ-NSHDSACASA-N 1 0 163.264 2.713 50 0 in-vitro AFAARO Cc1ccc([C@H]([NH3+])C(C)C)c(C)c1 19971360 343065924 /nfs/dbraw/zinc/06/59/24/343065924.db2.gz IHRSMIIGKOIKJE-GFCCVEGCSA-N 1 0 177.291 2.959 50 0 AFAARO CC[C@@H]([NH3+])c1cc(C)ccc1C 19971522 343065989 /nfs/dbraw/zinc/06/59/89/343065989.db2.gz XPMSOVRYPXMULZ-LLVKDONJSA-N 1 0 163.264 2.713 50 0 in-vitro AFAARO CC[C@H](C)[C@H](C)[NH2+]C1CCCC1 20085985 343067108 /nfs/dbraw/zinc/06/71/08/343067108.db2.gz LTAUULSBBMCGOE-UWVGGRQHSA-N 1 0 169.312 2.953 50 0 AFAARO CCCC1CCC([NH2+]C)CC1 20083796 343067112 /nfs/dbraw/zinc/06/71/12/343067112.db2.gz BULVHXOJKBLEDC-UHFFFAOYSA-N 1 0 155.285 2.565 50 0 in-vitro AFAARO CCCCC[C@@H](C)[NH2+]C(C)C 20085524 343067133 /nfs/dbraw/zinc/06/71/33/343067133.db2.gz GORHWOUACWIXSD-SNVBAGLBSA-N 1 0 157.301 2.953 50 0 AFAARO CCCC1CCC([NH2+]CCOC)CC1 20085571 343067166 /nfs/dbraw/zinc/06/71/66/343067166.db2.gz AOCVQQZPJSOIRE-UHFFFAOYSA-N 1 0 199.338 2.581 50 0 AFAARO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccco1 20084075 343067334 /nfs/dbraw/zinc/06/73/34/343067334.db2.gz XQEGZTXLSXXLCF-VHSXEESVSA-N 1 0 181.279 2.804 50 0 AFAARO CC[C@H](C)[C@H](C)[NH2+]Cc1ccco1 20084081 343067344 /nfs/dbraw/zinc/06/73/44/343067344.db2.gz XQEGZTXLSXXLCF-UWVGGRQHSA-N 1 0 181.279 2.804 50 0 AFAARO CCCC[NH2+][C@@H](C)[C@H](C)CC 20088107 343067538 /nfs/dbraw/zinc/06/75/38/343067538.db2.gz JBYHEMBDJKKPBU-ZJUUUORDSA-N 1 0 157.301 2.811 50 0 AFAARO CCCC[NH2+][C@H](C)[C@@H](C)CC 20088105 343067862 /nfs/dbraw/zinc/06/78/62/343067862.db2.gz JBYHEMBDJKKPBU-VHSXEESVSA-N 1 0 157.301 2.811 50 0 AFAARO CC(C)[NH2+]CCc1ccc(Cl)cc1 20122569 343067703 /nfs/dbraw/zinc/06/77/03/343067703.db2.gz KWBMGYTVGMOAIS-UHFFFAOYSA-N 1 0 197.709 2.881 50 0 AFAARO CC[C@H](C)C[NH2+]CCc1cccs1 20091109 343067709 /nfs/dbraw/zinc/06/77/09/343067709.db2.gz PBJBIXJGHSBHCY-JTQLQIEISA-N 1 0 197.347 2.926 50 0 AFAARO CC(C)[C@@H](C)[NH2+]Cc1cccs1 20139135 343068187 /nfs/dbraw/zinc/06/81/87/343068187.db2.gz NNHMPMYRRSYAJM-SECBINFHSA-N 1 0 183.320 2.882 50 0 AFAARO CC(C)[C@H](C)[NH2+]Cc1cccs1 20139139 343068153 /nfs/dbraw/zinc/06/81/53/343068153.db2.gz NNHMPMYRRSYAJM-VIFPVBQESA-N 1 0 183.320 2.882 50 0 AFAARO CC[C@H](C)C[NH2+]Cc1cccs1 20139571 343068280 /nfs/dbraw/zinc/06/82/80/343068280.db2.gz YEEXSHXCVCSNBD-VIFPVBQESA-N 1 0 183.320 2.884 50 0 AFAARO CCC1CCC([NH2+]CCCOC)CC1 20142161 343068284 /nfs/dbraw/zinc/06/82/84/343068284.db2.gz PKYGVMRDOXAHMD-UHFFFAOYSA-N 1 0 199.338 2.581 50 0 AFAARO CC(C)[C@@H](C)[NH2+]Cc1cccc(F)c1 20305388 343071343 /nfs/dbraw/zinc/07/13/43/343071343.db2.gz NZHHLCIQMFIDKF-SNVBAGLBSA-N 1 0 195.281 2.960 50 0 AFAARO CC(C)[C@H](C)[NH2+]Cc1cccc(F)c1 20305389 343071428 /nfs/dbraw/zinc/07/14/28/343071428.db2.gz NZHHLCIQMFIDKF-JTQLQIEISA-N 1 0 195.281 2.960 50 0 AFAARO Cc1ccc(C[NH2+][C@@H](C)C(C)C)o1 20306232 343071600 /nfs/dbraw/zinc/07/16/00/343071600.db2.gz JJERUQCXCYOHIK-JTQLQIEISA-N 1 0 181.279 2.722 50 0 AFAARO Cc1ccc(C[NH2+][C@H](C)C(C)C)o1 20306230 343071776 /nfs/dbraw/zinc/07/17/76/343071776.db2.gz JJERUQCXCYOHIK-SNVBAGLBSA-N 1 0 181.279 2.722 50 0 AFAARO C[C@H]([NH3+])c1cc2cc(F)ccc2o1 20439001 343073456 /nfs/dbraw/zinc/07/34/56/343073456.db2.gz DVYLBXVDCSGLLN-LURJTMIESA-N 1 0 179.194 2.592 50 0 in-vitro AFAARO CC[C@H](C)C[NH2+]Cc1cccc(F)c1 20473300 343073827 /nfs/dbraw/zinc/07/38/27/343073827.db2.gz MUJPMOBZAGTIFG-JTQLQIEISA-N 1 0 195.281 2.961 50 0 AFAARO C[C@H]1[NH2+]C(C)(C)Cc2ccccc21 21952892 343075967 /nfs/dbraw/zinc/07/59/67/343075967.db2.gz JPJDSRANHWZZEB-SECBINFHSA-N 1 0 175.275 2.672 50 0 in-vitro AFAARO Cc1c([C@H](C)[NH3+])oc2ccccc12 21950001 343076114 /nfs/dbraw/zinc/07/61/14/343076114.db2.gz RPFUXVGRERMSGL-QMMMGPOBSA-N 1 0 175.231 2.761 50 0 in-vitro AFAARO Cc1ccc([C@H](C)[NH2+]C2CC2)cc1 21954816 343076339 /nfs/dbraw/zinc/07/63/39/343076339.db2.gz PBCXEJPFVTVEPY-JTQLQIEISA-N 1 0 175.275 2.808 50 0 AFAARO C[C@H]([NH2+]C1CC1)c1ccccc1F 21958239 343076431 /nfs/dbraw/zinc/07/64/31/343076431.db2.gz YCUXGRSZPJVBOB-QMMMGPOBSA-N 1 0 179.238 2.639 50 0 in-vitro AFAARO C[NH2+]C1CCC(C(C)(C)C)CC1 21958757 343076450 /nfs/dbraw/zinc/07/64/50/343076450.db2.gz INGRKTXZUZXXPB-UHFFFAOYSA-N 1 0 169.312 2.811 50 0 in-vitro AFAARO Cc1cccc(CSCCC[NH3+])c1 21953347 343076454 /nfs/dbraw/zinc/07/64/54/343076454.db2.gz YROVBQZVOWGWLG-UHFFFAOYSA-N 1 0 195.331 2.577 50 0 in-vitro AFAARO Cc1cccc(C[NH2+]C(C)(C)C)c1 21954619 343076480 /nfs/dbraw/zinc/07/64/80/343076480.db2.gz BTYMZEKNDHEPJL-UHFFFAOYSA-N 1 0 177.291 2.883 50 0 AFAARO Cc1ccc([C@@H](C)[NH2+]C2CC2)cc1 21954812 343076605 /nfs/dbraw/zinc/07/66/05/343076605.db2.gz PBCXEJPFVTVEPY-SNVBAGLBSA-N 1 0 175.275 2.808 50 0 AFAARO CC1=CC[N@H+](Cc2ccccc2)CC1 21987922 343077195 /nfs/dbraw/zinc/07/71/95/343077195.db2.gz MKIZSVUTUWPHMD-UHFFFAOYSA-N 1 0 187.286 2.839 50 0 in-vitro AFAARO C[NH2+]C1c2ccccc2-c2ccccc21 22143540 343079097 /nfs/dbraw/zinc/07/90/97/343079097.db2.gz VMSWKZSHYGFUPI-UHFFFAOYSA-N 1 0 195.265 2.976 50 0 in-vitro AFAARO C[C@H]([NH2+]C1CC1)c1cc(F)ccc1F 22141798 343079107 /nfs/dbraw/zinc/07/91/07/343079107.db2.gz BHDGVQKAAKACFR-ZETCQYMHSA-N 1 0 197.228 2.778 50 0 AFAARO C[C@H]1CCC[C@H](C)C1[NH2+]C1CC1 22143108 343079371 /nfs/dbraw/zinc/07/93/71/343079371.db2.gz AXZUCHFKKQGHPR-IUCAKERBSA-N 1 0 167.296 2.563 50 0 AFAARO CCC1CCC([NH2+]C2CC2)CC1 22150068 343079641 /nfs/dbraw/zinc/07/96/41/343079641.db2.gz ZNBJURGRKZHTSI-UHFFFAOYSA-N 1 0 167.296 2.707 50 0 in-vitro AFAARO C[C@H]([NH2+]C1CC1)c1ccc(F)cc1 22150868 343079682 /nfs/dbraw/zinc/07/96/82/343079682.db2.gz NJOWFYKNUVBXGE-QMMMGPOBSA-N 1 0 179.238 2.639 50 0 AFAARO CCC(CC)C[NH2+]Cc1ccco1 22148936 343079760 /nfs/dbraw/zinc/07/97/60/343079760.db2.gz FHMZQJKUXYIZGT-UHFFFAOYSA-N 1 0 181.279 2.805 50 0 AFAARO Cc1cc(C)c(C[NH2+]C2CC2)c(C)c1 22144516 343079818 /nfs/dbraw/zinc/07/98/18/343079818.db2.gz GWMIUBISBKOQCE-UHFFFAOYSA-N 1 0 189.302 2.864 50 0 AFAARO CC[C@H]([NH2+]C1CC1)c1ccccc1 22150511 343079890 /nfs/dbraw/zinc/07/98/90/343079890.db2.gz NHDWNHGNLZNXLR-LBPRGKRZSA-N 1 0 175.275 2.890 50 0 AFAARO Cc1ccc(C[NH2+]C2CC2)c(C)c1 22146393 343079896 /nfs/dbraw/zinc/07/98/96/343079896.db2.gz QHEGOFDTGUINIS-UHFFFAOYSA-N 1 0 175.275 2.555 50 0 in-vitro AFAARO C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2CC2)o1 22216445 343080589 /nfs/dbraw/zinc/08/05/89/343080589.db2.gz HNYUESMNEYITJE-KWQFWETISA-N 1 0 191.274 2.655 50 0 in-vitro AFAARO C[C@H](CCc1ccccc1)[NH2+]C1CC1 22212975 343080931 /nfs/dbraw/zinc/08/09/31/343080931.db2.gz AHRICYXVJUOKJQ-LLVKDONJSA-N 1 0 189.302 2.760 50 0 AFAARO C[C@H]([NH2+]C1CC1)c1cccs1 22215221 343080972 /nfs/dbraw/zinc/08/09/72/343080972.db2.gz NZOXXJHVENQDIA-ZETCQYMHSA-N 1 0 167.277 2.561 50 0 AFAARO CC(C)[NH2+]Cc1cc2ccccc2[nH]1 22863339 343082502 /nfs/dbraw/zinc/08/25/02/343082502.db2.gz XYHLWHXETHCNAU-UHFFFAOYSA-N 1 0 188.274 2.666 50 0 AFAARO C[C@H]([NH3+])c1csc2ccccc12 26515978 343089794 /nfs/dbraw/zinc/08/97/94/343089794.db2.gz QHQWHUVCNWLPGV-ZETCQYMHSA-N 1 0 177.272 2.921 50 0 AFAARO CCC[NH2+][C@@H]1CCc2ccccc2C1 27858942 343091115 /nfs/dbraw/zinc/09/11/15/343091115.db2.gz CHNZNFYUKYAHER-CYBMUJFWSA-N 1 0 189.302 2.544 50 0 in-vitro AFAARO Cc1[nH+]c(N)cc(-c2ccccc2)c1C 29865961 343092851 /nfs/dbraw/zinc/09/28/51/343092851.db2.gz KHVGBFYREHILTB-UHFFFAOYSA-N 1 0 198.269 2.948 50 0 in-vitro AFAARO C[C@H](C[NH3+])Cc1cccc2ccccc12 29865992 343093071 /nfs/dbraw/zinc/09/30/71/343093071.db2.gz LKMDBJJBQCVRCG-NSHDSACASA-N 1 0 199.297 2.977 50 0 in-vitro AFAARO Cc1ccc(/C=C/CC[NH3+])cc1C 32006846 343095740 /nfs/dbraw/zinc/09/57/40/343095740.db2.gz NRKSZUQIUSSUPF-HWKANZROSA-N 1 0 175.275 2.665 50 0 AFAARO Cc1cccc(C[C@@H]2CCC[NH2+]C2)c1 32099134 343097341 /nfs/dbraw/zinc/09/73/41/343097341.db2.gz QGDXLGZYLHVIMJ-ZDUSSCGKSA-N 1 0 189.302 2.537 50 0 in-vitro AFAARO Cc1c(Cl)ccc2c(N)cc[nH+]c12 32099429 343097691 /nfs/dbraw/zinc/09/76/91/343097691.db2.gz FNGXNKXNUACWTL-UHFFFAOYSA-N 1 0 192.649 2.779 50 0 in-vitro AFAARO Cc1cc(N)c2ccc(Cl)cc2[nH+]1 32099427 343097904 /nfs/dbraw/zinc/09/79/04/343097904.db2.gz YYUQXDHWGQINPE-UHFFFAOYSA-N 1 0 192.649 2.779 50 0 in-vitro AFAARO Cc1cccc(-c2c[nH+]ccc2N)c1C 32517890 343102733 /nfs/dbraw/zinc/10/27/33/343102733.db2.gz BPUQOJNSIAPWFL-UHFFFAOYSA-N 1 0 198.269 2.948 50 0 AFAARO Cc1cccc(C2([NH3+])CCCC2)c1 33487147 343105214 /nfs/dbraw/zinc/10/52/14/343105214.db2.gz OTMXRYLRBCDAMN-UHFFFAOYSA-N 1 0 175.275 2.723 50 0 in-vitro AFAARO C[C@H](c1ccccc1)[NH+]1CCCC1 33868501 343107589 /nfs/dbraw/zinc/10/75/89/343107589.db2.gz UWBGXRMEQVITBS-LLVKDONJSA-N 1 0 175.275 2.843 50 0 AFAARO CC1(C)C[NH+](Cc2ccccc2)C1 34078727 343109830 /nfs/dbraw/zinc/10/98/30/343109830.db2.gz WPDLZIHBUNVNLF-UHFFFAOYSA-N 1 0 175.275 2.528 50 0 in-vitro AFAARO CCCC[C@@H](C[NH3+])CCC 34291021 343115721 /nfs/dbraw/zinc/11/57/21/343115721.db2.gz CUEUXLBCXLPVSU-VIFPVBQESA-N 1 0 143.274 2.552 50 0 in-vitro AFAARO CC[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 34408447 343118133 /nfs/dbraw/zinc/11/81/33/343118133.db2.gz HJLMDBFLDGLUCM-YPMHNXCESA-N 1 0 189.302 2.790 50 0 AFAARO CC1(C)CCC[C@](C)(C[NH3+])C1 34415012 343118943 /nfs/dbraw/zinc/11/89/43/343118943.db2.gz PZVANPGBOPAOIK-JTQLQIEISA-N 1 0 155.285 2.552 50 0 AFAARO CCC(CC)(C[NH3+])c1ccccc1 34492084 343120435 /nfs/dbraw/zinc/12/04/35/343120435.db2.gz NQHLVVJKVNCGHU-UHFFFAOYSA-N 1 0 177.291 2.703 50 0 in-vitro AFAARO Cc1ccc([C@H](C)[NH3+])cc1Cl 34596028 343122935 /nfs/dbraw/zinc/12/29/35/343122935.db2.gz ROIRSRKHNYYKOM-ZETCQYMHSA-N 1 0 169.655 2.668 50 0 AFAARO Cc1ccc([C@@H](C)[NH3+])cc1Cl 34596027 343122997 /nfs/dbraw/zinc/12/29/97/343122997.db2.gz ROIRSRKHNYYKOM-SSDOTTSWSA-N 1 0 169.655 2.668 50 0 AFAARO CCC1(CC)CCC([NH3+])CC1 34727288 343124404 /nfs/dbraw/zinc/12/44/04/343124404.db2.gz NAYGFGSBOKLOAY-UHFFFAOYSA-N 1 0 155.285 2.694 50 0 in-vitro AFAARO Cc1cc(C)cc(C[NH2+]C(C)C)c1 34938230 343126124 /nfs/dbraw/zinc/12/61/24/343126124.db2.gz RVCXQEJNTHTRGV-UHFFFAOYSA-N 1 0 177.291 2.801 50 0 AFAARO CC(C)[NH2+]Cc1cc2c(s1)CCC2 34977700 343127128 /nfs/dbraw/zinc/12/71/28/343127128.db2.gz JKFCRVIOFJIOFI-UHFFFAOYSA-N 1 0 195.331 2.735 50 0 in-vitro AFAARO Cc1cc(C)c(C[NH2+]C2CC2)cc1C 34991205 343127179 /nfs/dbraw/zinc/12/71/79/343127179.db2.gz YIWUYMTUVACSAQ-UHFFFAOYSA-N 1 0 189.302 2.864 50 0 AFAARO Cc1ccc([C@H]([NH3+])C(C)(C)C)o1 35079549 343127540 /nfs/dbraw/zinc/12/75/40/343127540.db2.gz CLVKAYCRRLIBPY-VIFPVBQESA-N 1 0 167.252 2.634 50 0 in-vitro AFAARO CCCC[NH2+]Cc1cccc(F)c1F 35054689 343127697 /nfs/dbraw/zinc/12/76/97/343127697.db2.gz VWLPFZGOWWATOE-UHFFFAOYSA-N 1 0 199.244 2.855 50 0 AFAARO CC[C@H](C)[NH2+]Cc1cccc(F)c1F 35223350 343130305 /nfs/dbraw/zinc/13/03/05/343130305.db2.gz WCELYCHPRKZUSM-QMMMGPOBSA-N 1 0 199.244 2.853 50 0 AFAARO CC(C)[C@@H]([NH3+])c1cccc(Cl)c1 35572055 343133179 /nfs/dbraw/zinc/13/31/79/343133179.db2.gz QSNJTSCLCFQIJO-SNVBAGLBSA-N 1 0 183.682 2.996 50 0 AFAARO CC[C@H](C)[NH2+][C@@H]1CCC[C@H](C)C1 35708335 343137047 /nfs/dbraw/zinc/13/70/47/343137047.db2.gz GOYUMCHHLHUILB-GARJFASQSA-N 1 0 169.312 2.953 50 0 AFAARO CC[C@H](C)[NH2+][C@H]1CCC[C@H](C)C1 35708337 343137153 /nfs/dbraw/zinc/13/71/53/343137153.db2.gz GOYUMCHHLHUILB-DCAQKATOSA-N 1 0 169.312 2.953 50 0 AFAARO Cc1ccc(C)c(C[NH2+]C(C)C)c1 35843784 343139647 /nfs/dbraw/zinc/13/96/47/343139647.db2.gz JBQMEDNDFAJDFI-UHFFFAOYSA-N 1 0 177.291 2.801 50 0 AFAARO Cc1cccc(CC[NH2+]C(C)C)c1 36154488 343140302 /nfs/dbraw/zinc/14/03/02/343140302.db2.gz MFEYPHKAANISHW-UHFFFAOYSA-N 1 0 177.291 2.536 50 0 AFAARO Cc1cccc(CC[NH2+]CC(C)C)c1 36154515 343140453 /nfs/dbraw/zinc/14/04/53/343140453.db2.gz JIDXEYJPXUKZRQ-UHFFFAOYSA-N 1 0 191.318 2.783 50 0 AFAARO CCC[NH2+]Cc1cc(C)ccc1C 36094864 343140473 /nfs/dbraw/zinc/14/04/73/343140473.db2.gz GQORVKDJWIJECM-UHFFFAOYSA-N 1 0 177.291 2.803 50 0 AFAARO Cc1ccc(C[NH2+]C2CC2)cc1C 36923310 343154192 /nfs/dbraw/zinc/15/41/92/343154192.db2.gz JNPDTCFLSUFURZ-UHFFFAOYSA-N 1 0 175.275 2.555 50 0 in-vitro AFAARO Cc1cccc(C[NH2+]C(C)C)c1C 36923300 343154257 /nfs/dbraw/zinc/15/42/57/343154257.db2.gz YJKJPFYQEFOGDK-UHFFFAOYSA-N 1 0 177.291 2.801 50 0 AFAARO CCC[NH2+]Cc1cccc(C)c1C 36923312 343154382 /nfs/dbraw/zinc/15/43/82/343154382.db2.gz RGMOKYHHLAXBCO-UHFFFAOYSA-N 1 0 177.291 2.803 50 0 AFAARO Cc1ccc(C[NH2+]C(C)C)cc1C 36923302 343154437 /nfs/dbraw/zinc/15/44/37/343154437.db2.gz JTRNVNYYTJRWLZ-UHFFFAOYSA-N 1 0 177.291 2.801 50 0 AFAARO Cc1cc(C)cc(C[NH2+]C2CC2)c1 36923696 343154614 /nfs/dbraw/zinc/15/46/14/343154614.db2.gz KBEGVIIFHOTVMV-UHFFFAOYSA-N 1 0 175.275 2.555 50 0 AFAARO CCC[NH2+]Cc1ccc(C)c(F)c1 36924440 343154618 /nfs/dbraw/zinc/15/46/18/343154618.db2.gz LHVUSMRWAGCOPX-UHFFFAOYSA-N 1 0 181.254 2.634 50 0 AFAARO CCC[NH2+]Cc1cc(C)cc(C)c1 36923707 343154793 /nfs/dbraw/zinc/15/47/93/343154793.db2.gz BPGZVLHKGIBTJT-UHFFFAOYSA-N 1 0 177.291 2.803 50 0 AFAARO Cc1c([C@H](C)[NH3+])oc2ccc(F)cc12 36928746 343154947 /nfs/dbraw/zinc/15/49/47/343154947.db2.gz GMYNJYUMIFYTFP-ZETCQYMHSA-N 1 0 193.221 2.900 50 0 in-vitro AFAARO CC(C)c1ccc2c(c1)[C@H]([NH3+])CCO2 36928657 343155037 /nfs/dbraw/zinc/15/50/37/343155037.db2.gz PSDNIJBKFHYFOY-LLVKDONJSA-N 1 0 191.274 2.592 50 0 AFAARO CC(C)c1ccc2c(c1)[C@@H]([NH3+])CCO2 36928658 343155072 /nfs/dbraw/zinc/15/50/72/343155072.db2.gz PSDNIJBKFHYFOY-NSHDSACASA-N 1 0 191.274 2.592 50 0 AFAARO CC(C)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C 37021692 343157497 /nfs/dbraw/zinc/15/74/97/343157497.db2.gz DEHOCXVAHNPINL-GMTAPVOTSA-N 1 0 169.312 2.809 50 0 AFAARO CCCCCOCC[C@H]1CCCC[NH2+]1 37114362 343160300 /nfs/dbraw/zinc/16/03/00/343160300.db2.gz LSSKDTYLYPTFAQ-GFCCVEGCSA-N 1 0 199.338 2.725 50 0 AFAARO CCCCCOCCC1CC[NH2+]CC1 37114363 343160613 /nfs/dbraw/zinc/16/06/13/343160613.db2.gz JXLBMNFNBZQVBF-UHFFFAOYSA-N 1 0 199.338 2.583 50 0 AFAARO CCCC[NH2+][C@@H](C)CCCC 37197953 343162595 /nfs/dbraw/zinc/16/25/95/343162595.db2.gz IXDGIDFQIUYTSG-JTQLQIEISA-N 1 0 157.301 2.955 50 0 AFAARO CC[C@H](C)[NH2+]Cc1cc(F)ccc1F 37228232 343163079 /nfs/dbraw/zinc/16/30/79/343163079.db2.gz KTVQCUMBQVUNQR-QMMMGPOBSA-N 1 0 199.244 2.853 50 0 AFAARO CCCC[NH2+]Cc1cc(F)ccc1F 37228291 343163198 /nfs/dbraw/zinc/16/31/98/343163198.db2.gz PHSUWSHNAVXCPF-UHFFFAOYSA-N 1 0 199.244 2.855 50 0 AFAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1C[NH3+] 37245847 343164049 /nfs/dbraw/zinc/16/40/49/343164049.db2.gz BMNCNNYYLCTHDB-OUAUKWLOSA-N 1 0 169.312 2.654 50 0 in-vitro AFAARO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C[NH3+] 37245853 343164273 /nfs/dbraw/zinc/16/42/73/343164273.db2.gz BMNCNNYYLCTHDB-VWYCJHECSA-N 1 0 169.312 2.654 50 0 in-vitro AFAARO CC1(C)CC[C@@H](C[NH3+])c2ccccc21 37246294 343164350 /nfs/dbraw/zinc/16/43/50/343164350.db2.gz LBWVCDBPNUUOKM-JTQLQIEISA-N 1 0 189.302 2.800 50 0 in-vitro AFAARO CC(C)[C@@](C)([NH3+])Cc1ccccc1 37380450 343167277 /nfs/dbraw/zinc/16/72/77/343167277.db2.gz USXPAIXRRGBHAA-LBPRGKRZSA-N 1 0 177.291 2.603 50 0 in-vitro AFAARO CC(C)[C@](C)([NH3+])Cc1ccccc1 37380447 343167369 /nfs/dbraw/zinc/16/73/69/343167369.db2.gz USXPAIXRRGBHAA-GFCCVEGCSA-N 1 0 177.291 2.603 50 0 in-vitro AFAARO CC[C@H]([NH3+])c1ccc(C)c(F)c1 37396352 343167867 /nfs/dbraw/zinc/16/78/67/343167867.db2.gz HIHAUZOLSWSRRN-JTQLQIEISA-N 1 0 167.227 2.544 50 0 in-vitro AFAARO CC[C@H](Cc1ccc(C)cc1)[NH2+]C 37468588 343169503 /nfs/dbraw/zinc/16/95/03/343169503.db2.gz KBSOMARSARDZFM-GFCCVEGCSA-N 1 0 177.291 2.536 50 0 in-vitro AFAARO C[C@H]([NH2+]Cc1ccccc1)C1(C)CC1 37467558 343169569 /nfs/dbraw/zinc/16/95/69/343169569.db2.gz PKWKYSBSQCAZEJ-NSHDSACASA-N 1 0 189.302 2.965 50 0 AFAARO CC[C@H]([NH3+])c1cc(C)cc(C)c1 37746144 343177664 /nfs/dbraw/zinc/17/76/64/343177664.db2.gz JQGUQLQRSSODPY-NSHDSACASA-N 1 0 163.264 2.713 50 0 AFAARO CCC(CC)(C[NH3+])c1ccc(F)cc1 37934538 343182046 /nfs/dbraw/zinc/18/20/46/343182046.db2.gz MFMDEWUKBFLACO-UHFFFAOYSA-N 1 0 195.281 2.842 50 0 in-vitro AFAARO C[C@H]([NH3+])c1ccc(-c2cccnc2)cc1 38069880 343184066 /nfs/dbraw/zinc/18/40/66/343184066.db2.gz OGGKRFGMVHUZQV-JTQLQIEISA-N 1 0 198.269 2.768 50 0 in-vitro AFAARO CC(C)[C@@H]([NH3+])c1ccccc1Cl 38078502 343184340 /nfs/dbraw/zinc/18/43/40/343184340.db2.gz XOALSEFEPRQWJI-SNVBAGLBSA-N 1 0 183.682 2.996 50 0 in-vitro AFAARO CC[C@@H]([NH3+])c1ccccc1Cl 38078506 343184374 /nfs/dbraw/zinc/18/43/74/343184374.db2.gz DSVIGDPJWCJAHL-SECBINFHSA-N 1 0 169.655 2.750 50 0 AFAARO FC[C@@H]1CCC[N@@H+]1Cc1ccccc1 38350662 343187913 /nfs/dbraw/zinc/18/79/13/343187913.db2.gz ABOUERVZECNFBI-LBPRGKRZSA-N 1 0 193.265 2.621 50 0 AFAARO CC[C@@H]([NH3+])c1cc(C(C)C)co1 39104163 343198813 /nfs/dbraw/zinc/19/88/13/343198813.db2.gz CAGPLKLKQLSVKI-SECBINFHSA-N 1 0 167.252 2.813 50 0 in-vitro AFAARO CC1(c2ccccc2)CCC([NH3+])CC1 39188464 343205561 /nfs/dbraw/zinc/20/55/61/343205561.db2.gz NOWKJMNJTFDAQO-UHFFFAOYSA-N 1 0 189.302 2.846 50 0 in-vitro AFAARO C[C@H]1C[NH2+]Cc2ccc(Cl)cc21 39255907 343208619 /nfs/dbraw/zinc/20/86/19/343208619.db2.gz JOJQDQBZQKZVNI-ZETCQYMHSA-N 1 0 181.666 2.547 50 0 AFAARO C[C@H]1CCC[C@H](c2ccccc2)[NH2+]1 39289574 343210215 /nfs/dbraw/zinc/21/02/15/343210215.db2.gz JYJBTYOECUQNLE-CMPLNLGQSA-N 1 0 175.275 2.890 50 0 AFAARO Cc1cc(Cl)ccc1[C@H](C)[NH3+] 39952095 343214389 /nfs/dbraw/zinc/21/43/89/343214389.db2.gz XYTYLJRGDNFHAQ-ZETCQYMHSA-N 1 0 169.655 2.668 50 0 AFAARO Cc1cc(Cl)ccc1[C@@H](C)[NH3+] 39952096 343214485 /nfs/dbraw/zinc/21/44/85/343214485.db2.gz XYTYLJRGDNFHAQ-SSDOTTSWSA-N 1 0 169.655 2.668 50 0 AFAARO C[C@H]([NH3+])c1ccc(-c2ccncc2)cc1 40231738 343216035 /nfs/dbraw/zinc/21/60/35/343216035.db2.gz KPBHYDOOJXDXBR-JTQLQIEISA-N 1 0 198.269 2.768 50 0 in-vitro AFAARO Cc1cc(F)ccc1[C@@H]1CCC[NH2+]1 40442596 343218375 /nfs/dbraw/zinc/21/83/75/343218375.db2.gz NYXFCKRWEIIQPB-NSHDSACASA-N 1 0 179.238 2.559 50 0 AFAARO Cc1cccc(C)c1[C@@H]1CCC[NH2+]1 40442590 343218518 /nfs/dbraw/zinc/21/85/18/343218518.db2.gz XDBWPROXDXLPDU-NSHDSACASA-N 1 0 175.275 2.728 50 0 in-vitro AFAARO Cc1cccc(NCC(C)(C)C)[nH+]1 40494129 343219520 /nfs/dbraw/zinc/21/95/20/343219520.db2.gz IDJNUGNVNFVNNT-UHFFFAOYSA-N 1 0 178.279 2.848 50 0 AFAARO C[C@H](C[NH3+])c1ccc(F)c(Cl)c1 41664038 343235348 /nfs/dbraw/zinc/23/53/48/343235348.db2.gz GOMIJMOWCASBPD-ZCFIWIBFSA-N 1 0 187.645 2.541 50 0 AFAARO CCCCCOCC[C@@H]1CCC[NH2+]C1 42771766 343249278 /nfs/dbraw/zinc/24/92/78/343249278.db2.gz FJFUKFMMERSFOV-LBPRGKRZSA-N 1 0 199.338 2.583 50 0 AFAARO CCC(CC)C[C@@H]1CCC[NH2+]C1 42784214 343249650 /nfs/dbraw/zinc/24/96/50/343249650.db2.gz LJISCEJMUPJRHP-NSHDSACASA-N 1 0 169.312 2.812 50 0 AFAARO CCC(CC)C[C@H]1CCC[NH2+]C1 42784215 343249689 /nfs/dbraw/zinc/24/96/89/343249689.db2.gz LJISCEJMUPJRHP-LLVKDONJSA-N 1 0 169.312 2.812 50 0 AFAARO C[C@H](C[C@@H]1CC[NH2+]C1)c1ccccc1 42784186 343249781 /nfs/dbraw/zinc/24/97/81/343249781.db2.gz MKUNJVRWICYWMC-NEPJUHHUSA-N 1 0 189.302 2.790 50 0 AFAARO C[C@H]1C[C@@H](CC[NH3+])CC(C)(C)C1 43559340 343255579 /nfs/dbraw/zinc/25/55/79/343255579.db2.gz ASRQPIHVICNKCL-VHSXEESVSA-N 1 0 169.312 2.798 50 0 in-vitro AFAARO C[C@H]1CCCC[C@@H]1[NH2+]C1CCC1 44480101 343266612 /nfs/dbraw/zinc/26/66/12/343266612.db2.gz QJDFRXZIRCETFA-ONGXEEELSA-N 1 0 167.296 2.707 50 0 AFAARO CC(C)[NH2+][C@H](C)c1ccsc1 50337386 343281763 /nfs/dbraw/zinc/28/17/63/343281763.db2.gz ALZOQYQLEFEYAB-MRVPVSSYSA-N 1 0 169.293 2.807 50 0 AFAARO CCC[NH2+]Cc1ccc(F)cc1C 50568991 343284813 /nfs/dbraw/zinc/28/48/13/343284813.db2.gz XZAFIDIJVVJCKA-UHFFFAOYSA-N 1 0 181.254 2.634 50 0 AFAARO Cc1cc(F)ccc1C[NH2+]CC(C)C 50569009 343284863 /nfs/dbraw/zinc/28/48/63/343284863.db2.gz GDFFBRUUILPRBQ-UHFFFAOYSA-N 1 0 195.281 2.880 50 0 AFAARO Cc1cc(F)ccc1C[NH2+]C(C)C 50569005 343284987 /nfs/dbraw/zinc/28/49/87/343284987.db2.gz BSPAHPWAWDVFPZ-UHFFFAOYSA-N 1 0 181.254 2.632 50 0 AFAARO C[C@H]1[NH2+]CCc2ccc(Cl)cc21 50682649 343285877 /nfs/dbraw/zinc/28/58/77/343285877.db2.gz GHIIYGFXXDYEKQ-SSDOTTSWSA-N 1 0 181.666 2.547 50 0 AFAARO CC[C@H](C)Oc1cc(C)ccc1C[NH3+] 51581226 343290014 /nfs/dbraw/zinc/29/00/14/343290014.db2.gz HWAGRBFAABXCQC-JTQLQIEISA-N 1 0 193.290 2.631 50 0 in-vitro AFAARO Cc1ccc(C[NH3+])c(OC(C)(C)C)c1 51580855 343290234 /nfs/dbraw/zinc/29/02/34/343290234.db2.gz LJEDHLNIAXJDJD-UHFFFAOYSA-N 1 0 193.290 2.631 50 0 in-vitro AFAARO CCc1ccc([C@@H]([NH3+])C(C)(C)C)o1 51726676 343292111 /nfs/dbraw/zinc/29/21/11/343292111.db2.gz AZMLQBSONUOIRS-SNVBAGLBSA-N 1 0 181.279 2.888 50 0 in-vitro AFAARO CCc1ccc([C@H]([NH3+])C(C)(C)C)o1 51726674 343292296 /nfs/dbraw/zinc/29/22/96/343292296.db2.gz AZMLQBSONUOIRS-JTQLQIEISA-N 1 0 181.279 2.888 50 0 in-vitro AFAARO CC1(C)[NH2+]CC[C@H]1c1ccc(F)cc1 51954903 343296865 /nfs/dbraw/zinc/29/68/65/343296865.db2.gz SJCTUNNTXXXAGF-NSHDSACASA-N 1 0 193.265 2.681 50 0 AFAARO CC[C@H]1[NH2+]CC[C@@H]1c1ccc(C)cc1 51954525 343296925 /nfs/dbraw/zinc/29/69/25/343296925.db2.gz KYIWPQXKLVGLKP-CHWSQXEVSA-N 1 0 189.302 2.851 50 0 in-vitro AFAARO CC1(C)[NH2+]CC[C@H]1c1ccccc1 51954801 343296937 /nfs/dbraw/zinc/29/69/37/343296937.db2.gz MHHHPJJEUYLYOO-NSHDSACASA-N 1 0 175.275 2.542 50 0 AFAARO CC[C@H]1[NH2+]CC[C@H]1c1ccc(C)cc1 51954522 343296938 /nfs/dbraw/zinc/29/69/38/343296938.db2.gz KYIWPQXKLVGLKP-QWHCGFSZSA-N 1 0 189.302 2.851 50 0 in-vitro AFAARO C[C@]1(CCc2ccccc2)CC[NH2+]C1 51955113 343297129 /nfs/dbraw/zinc/29/71/29/343297129.db2.gz ZEJRBAYSVMYZLY-ZDUSSCGKSA-N 1 0 189.302 2.619 50 0 in-vitro AFAARO CC(C)[C@H]1[NH2+]CCc2ccc(F)cc21 52095571 343300284 /nfs/dbraw/zinc/30/02/84/343300284.db2.gz BZVYNPMWSGMUCJ-GFCCVEGCSA-N 1 0 193.265 2.669 50 0 in-vitro AFAARO Cc1nc([C@H]2CCCC[NH2+]2)sc1C 52125995 343300437 /nfs/dbraw/zinc/30/04/37/343300437.db2.gz UWAHVFOYFULUJX-SECBINFHSA-N 1 0 196.319 2.575 50 0 AFAARO CCc1ccc([C@H]2[NH2+]CCS2)cc1 52537773 343306024 /nfs/dbraw/zinc/30/60/24/343306024.db2.gz GNBVTIOCKRYZIB-NSHDSACASA-N 1 0 193.315 2.584 50 0 in-vitro AFAARO CCc1ccc([C@@H]2[NH2+]CCS2)cc1 52537772 343306041 /nfs/dbraw/zinc/30/60/41/343306041.db2.gz GNBVTIOCKRYZIB-LLVKDONJSA-N 1 0 193.315 2.584 50 0 in-vitro AFAARO C[C@H]([NH3+])c1ccc(C2CC2)cc1 52886442 343311622 /nfs/dbraw/zinc/31/16/22/343311622.db2.gz ZALZLSQMLQNUNA-QMMMGPOBSA-N 1 0 161.248 2.584 50 0 in-vitro AFAARO C1CCCC([C@@H]2CCC[NH2+]2)CC1 53713762 343315154 /nfs/dbraw/zinc/31/51/54/343315154.db2.gz MJNBVIOJIBJIQG-NSHDSACASA-N 1 0 167.296 2.709 50 0 AFAARO C1CCCC([C@H]2CCC[NH2+]2)CC1 53713764 343315159 /nfs/dbraw/zinc/31/51/59/343315159.db2.gz MJNBVIOJIBJIQG-LLVKDONJSA-N 1 0 167.296 2.709 50 0 AFAARO Cc1ccc(C)n1C1CCC([NH3+])CC1 53711432 343315292 /nfs/dbraw/zinc/31/52/92/343315292.db2.gz HLLAUVNEHBYVIA-UHFFFAOYSA-N 1 0 192.306 2.547 50 0 in-vitro AFAARO Cc1cc(C)cc(C2=CC[NH2+]CC2)c1 55232309 343335371 /nfs/dbraw/zinc/33/53/71/343335371.db2.gz HQZKLAOFUNIYLZ-UHFFFAOYSA-N 1 0 187.286 2.680 50 0 in-vitro AFAARO CC1(C)C[NH2+]Cc2cccc(Cl)c21 57489814 343337764 /nfs/dbraw/zinc/33/77/64/343337764.db2.gz IKYVCXNUDIRVOS-UHFFFAOYSA-N 1 0 195.693 2.721 50 0 AFAARO CC[C@H]([NH3+])CSc1ccccc1 58035689 343338496 /nfs/dbraw/zinc/33/84/96/343338496.db2.gz YEELLYVNKHEHJV-VIFPVBQESA-N 1 0 181.304 2.516 50 0 in-vitro AFAARO C[NH2+]C(C)(C)Cc1ccc(C)cc1 58519157 343340362 /nfs/dbraw/zinc/34/03/62/343340362.db2.gz FCBCXAGEVMLSOA-UHFFFAOYSA-N 1 0 177.291 2.536 50 0 AFAARO CC[C@@H]([NH3+])[C@@H](C)c1ccccc1 59076593 343341711 /nfs/dbraw/zinc/34/17/11/343341711.db2.gz PSBBRUWGPMOLMR-GXSJLCMTSA-N 1 0 163.264 2.527 50 0 in-vitro AFAARO CC[C@H]([NH3+])[C@H](C)c1ccccc1 59076594 343341767 /nfs/dbraw/zinc/34/17/67/343341767.db2.gz PSBBRUWGPMOLMR-KOLCDFICSA-N 1 0 163.264 2.527 50 0 in-vitro AFAARO CC[C@H]([NH3+])[C@@H](C)c1ccccc1 59076592 343341910 /nfs/dbraw/zinc/34/19/10/343341910.db2.gz PSBBRUWGPMOLMR-ONGXEEELSA-N 1 0 163.264 2.527 50 0 in-vitro AFAARO CC[C@@H]([NH3+])[C@H](C)c1ccccc1 59076595 343341926 /nfs/dbraw/zinc/34/19/26/343341926.db2.gz PSBBRUWGPMOLMR-MWLCHTKSSA-N 1 0 163.264 2.527 50 0 in-vitro AFAARO FC[C@H]1CCC[N@@H+]1Cc1ccccc1 59555307 343345733 /nfs/dbraw/zinc/34/57/33/343345733.db2.gz ABOUERVZECNFBI-GFCCVEGCSA-N 1 0 193.265 2.621 50 0 AFAARO C[C@@H]1C[C@@H](C)[N@H+](C)C(C)(C)C1 59950419 343349162 /nfs/dbraw/zinc/34/91/62/343349162.db2.gz YKINCRKHRQMSIT-RKDXNWHRSA-N 1 0 155.285 2.515 50 0 AFAARO C[C@H]1C[C@H](C)[N@H+](C)C(C)(C)C1 59950417 343349189 /nfs/dbraw/zinc/34/91/89/343349189.db2.gz YKINCRKHRQMSIT-IUCAKERBSA-N 1 0 155.285 2.515 50 0 AFAARO C[C@H]1C[C@@H](C)CC(C)(C)[N@H+]1C 59950415 343349316 /nfs/dbraw/zinc/34/93/16/343349316.db2.gz YKINCRKHRQMSIT-BDAKNGLRSA-N 1 0 155.285 2.515 50 0 AFAARO Cc1ccc([C@@H]2CCC[C@@H]2[NH3+])cc1 60714080 343354118 /nfs/dbraw/zinc/35/41/18/343354118.db2.gz RQLKKCBXVXGQSE-RYUDHWBXSA-N 1 0 175.275 2.590 50 0 in-vitro AFAARO Cc1ccc([C@H]2CCC[C@@H]2[NH3+])cc1 60714085 343354247 /nfs/dbraw/zinc/35/42/47/343354247.db2.gz RQLKKCBXVXGQSE-NEPJUHHUSA-N 1 0 175.275 2.590 50 0 in-vitro AFAARO Cc1ccc(C2(C[NH3+])CCC2)cc1C 61681209 343360080 /nfs/dbraw/zinc/36/00/80/343360080.db2.gz SPGMZDPUQXQQLL-UHFFFAOYSA-N 1 0 189.302 2.684 50 0 in-vitro AFAARO Cc1ccc(F)cc1[C@H]1CCC[NH2+]1 62664939 343377243 /nfs/dbraw/zinc/37/72/43/343377243.db2.gz QWJTVDZSNQZZKT-LLVKDONJSA-N 1 0 179.238 2.559 50 0 AFAARO C[C@H]([NH3+])C1(c2ccccc2)CCCC1 62782748 343380261 /nfs/dbraw/zinc/38/02/61/343380261.db2.gz ABRFXTMQISKRJO-NSHDSACASA-N 1 0 189.302 2.846 50 0 in-vitro AFAARO [NH3+]C1([C@H]2CCCc3ccccc32)CC1 63158561 343403316 /nfs/dbraw/zinc/40/33/16/343403316.db2.gz FRLJGCKMOHNNEX-LBPRGKRZSA-N 1 0 187.286 2.598 50 0 AFAARO [NH3+]C1([C@@H]2CCCc3ccccc32)CC1 63158562 343403546 /nfs/dbraw/zinc/40/35/46/343403546.db2.gz FRLJGCKMOHNNEX-GFCCVEGCSA-N 1 0 187.286 2.598 50 0 AFAARO CCc1ccc([C@@H]2CCCC[NH2+]2)o1 68575320 343411197 /nfs/dbraw/zinc/41/11/97/343411197.db2.gz PSUGMXOQESWPEZ-JTQLQIEISA-N 1 0 179.263 2.657 50 0 in-vitro AFAARO CCc1ccc([C@H]2CCCC[NH2+]2)o1 68575321 343411444 /nfs/dbraw/zinc/41/14/44/343411444.db2.gz PSUGMXOQESWPEZ-SNVBAGLBSA-N 1 0 179.263 2.657 50 0 in-vitro AFAARO Cc1ccc([C@@H]2CCCCC[NH2+]2)o1 68576071 343411686 /nfs/dbraw/zinc/41/16/86/343411686.db2.gz QGDVTEBOBGTUQK-JTQLQIEISA-N 1 0 179.263 2.793 50 0 in-vitro AFAARO Cc1ccc([C@H]2CCCCC[NH2+]2)o1 68576074 343411889 /nfs/dbraw/zinc/41/18/89/343411889.db2.gz QGDVTEBOBGTUQK-SNVBAGLBSA-N 1 0 179.263 2.793 50 0 in-vitro AFAARO [NH3+]C1(c2cccc(F)c2F)CCCC1 69640486 343430673 /nfs/dbraw/zinc/43/06/73/343430673.db2.gz KRQAUWPJQIPVAV-UHFFFAOYSA-N 1 0 197.228 2.693 50 0 AFAARO C[C@H]([NH3+])c1ccc(F)c2ccccc12 69900593 343454864 /nfs/dbraw/zinc/45/48/64/343454864.db2.gz MVNSJXXBMVYRCM-QMMMGPOBSA-N 1 0 189.233 2.999 50 0 in-vitro AFAARO CCCCCC[C@H]1CCC[NH2+]C1 69975025 343463364 /nfs/dbraw/zinc/46/33/64/343463364.db2.gz NYTHXDHDPRNOFG-NSHDSACASA-N 1 0 169.312 2.956 50 0 AFAARO CCCCCC[C@@H]1CCC[NH2+]C1 69975023 343463509 /nfs/dbraw/zinc/46/35/09/343463509.db2.gz NYTHXDHDPRNOFG-LLVKDONJSA-N 1 0 169.312 2.956 50 0 AFAARO Cc1c[nH+]ccc1N[C@H](C)C(C)C 70046866 343469621 /nfs/dbraw/zinc/46/96/21/343469621.db2.gz ITHHAZUHVCMNDZ-SNVBAGLBSA-N 1 0 178.279 2.846 50 0 in-vitro AFAARO C[C@H]1CC[NH2+][C@H](C2CCCCC2)C1 70399733 343487052 /nfs/dbraw/zinc/48/70/52/343487052.db2.gz LHIYBHRVQHZZTF-JQWIXIFHSA-N 1 0 181.323 2.955 50 0 AFAARO C[C@H]1CC[NH2+][C@@H](C2CCCCC2)C1 70399735 343487143 /nfs/dbraw/zinc/48/71/43/343487143.db2.gz LHIYBHRVQHZZTF-CMPLNLGQSA-N 1 0 181.323 2.955 50 0 AFAARO C[C@@H]1CC[NH2+][C@@H](C2CCCCC2)C1 70399734 343487185 /nfs/dbraw/zinc/48/71/85/343487185.db2.gz LHIYBHRVQHZZTF-ZYHUDNBSSA-N 1 0 181.323 2.955 50 0 AFAARO C[C@@H]1CC[NH2+][C@H](C2CCCCC2)C1 70399732 343487211 /nfs/dbraw/zinc/48/72/11/343487211.db2.gz LHIYBHRVQHZZTF-PWSUYJOCSA-N 1 0 181.323 2.955 50 0 AFAARO C[C@H]1C[C@H](C2CCCCC2)C[NH2+]1 70586551 343497780 /nfs/dbraw/zinc/49/77/80/343497780.db2.gz ISJSWPCHDCEPCA-ONGXEEELSA-N 1 0 167.296 2.565 50 0 AFAARO CC1(C)CCC2(CC[NH2+]C2)CC1 70654670 343520293 /nfs/dbraw/zinc/52/02/93/343520293.db2.gz LGQXXGURZQOOCG-UHFFFAOYSA-N 1 0 167.296 2.566 50 0 AFAARO CC1(C)CCC[C@@]2(CC[NH2+]C2)C1 70684504 343524159 /nfs/dbraw/zinc/52/41/59/343524159.db2.gz JPRJOGGBXFFTHO-LLVKDONJSA-N 1 0 167.296 2.566 50 0 AFAARO CC1(C)CCC[C@]2(CC[NH2+]C2)C1 70684499 343524241 /nfs/dbraw/zinc/52/42/41/343524241.db2.gz JPRJOGGBXFFTHO-NSHDSACASA-N 1 0 167.296 2.566 50 0 AFAARO CC1(C)CCC[C@H](CC[NH3+])C1 70684485 343524345 /nfs/dbraw/zinc/52/43/45/343524345.db2.gz NUADKOQQMBGPFV-SECBINFHSA-N 1 0 155.285 2.552 50 0 AFAARO CC1(C)CCC[C@@H](CC[NH3+])C1 70684488 343524446 /nfs/dbraw/zinc/52/44/46/343524446.db2.gz NUADKOQQMBGPFV-VIFPVBQESA-N 1 0 155.285 2.552 50 0 AFAARO C[C@H]1CC[C@@H](c2ccccc2)[NH2+]C1 70710138 343526581 /nfs/dbraw/zinc/52/65/81/343526581.db2.gz IWCFBBFSWZZNCW-JQWIXIFHSA-N 1 0 175.275 2.747 50 0 in-vitro AFAARO CC(C)CC[C@@H]1CC[C@@H]([NH3+])C1 70741159 343528087 /nfs/dbraw/zinc/52/80/87/343528087.db2.gz NUIXRVVHCBLESE-NXEZZACHSA-N 1 0 155.285 2.550 50 0 AFAARO CC(C)CC[C@@H]1CC[C@H]([NH3+])C1 70741157 343528101 /nfs/dbraw/zinc/52/81/01/343528101.db2.gz NUIXRVVHCBLESE-ZJUUUORDSA-N 1 0 155.285 2.550 50 0 AFAARO CC(C)CC[C@H]1CC[C@H]([NH3+])C1 70741158 343528138 /nfs/dbraw/zinc/52/81/38/343528138.db2.gz NUIXRVVHCBLESE-UWVGGRQHSA-N 1 0 155.285 2.550 50 0 AFAARO CC[C@H]([NH3+])c1cn(C)c2ccccc12 71492840 343553988 /nfs/dbraw/zinc/55/39/88/343553988.db2.gz DDTUENKJVDNQPQ-NSHDSACASA-N 1 0 188.274 2.588 50 0 AFAARO CC[C@@H]([NH3+])c1cn(C)c2ccccc12 71492841 343554008 /nfs/dbraw/zinc/55/40/08/343554008.db2.gz DDTUENKJVDNQPQ-LLVKDONJSA-N 1 0 188.274 2.588 50 0 AFAARO CCCCC[C@@H](C)CC[NH3+] 71773118 343557606 /nfs/dbraw/zinc/55/76/06/343557606.db2.gz GLLXYAXQZYZGBM-SECBINFHSA-N 1 0 143.274 2.552 50 0 AFAARO CCc1ccc([C@@H]2C[C@@H](C)CC[NH2+]2)o1 71790821 343558691 /nfs/dbraw/zinc/55/86/91/343558691.db2.gz TVXUKQIKMWSFQP-ONGXEEELSA-N 1 0 193.290 2.903 50 0 in-vitro AFAARO Cc1ccc([C@H]2C[C@@H](C)CC[NH2+]2)o1 71790809 343558719 /nfs/dbraw/zinc/55/87/19/343558719.db2.gz VSCIJPMQUFXFGX-WCBMZHEXSA-N 1 0 179.263 2.649 50 0 in-vitro AFAARO Cc1ccc([C@@H]2C[C@@H](C)CC[NH2+]2)o1 71790808 343558742 /nfs/dbraw/zinc/55/87/42/343558742.db2.gz VSCIJPMQUFXFGX-WPRPVWTQSA-N 1 0 179.263 2.649 50 0 in-vitro AFAARO Cc1ccc([C@H]2C[C@H](C)CC[NH2+]2)o1 71790807 343558845 /nfs/dbraw/zinc/55/88/45/343558845.db2.gz VSCIJPMQUFXFGX-PSASIEDQSA-N 1 0 179.263 2.649 50 0 in-vitro AFAARO CCc1ccc([C@H]2C[C@@H](C)CC[NH2+]2)o1 71790822 343558883 /nfs/dbraw/zinc/55/88/83/343558883.db2.gz TVXUKQIKMWSFQP-GXSJLCMTSA-N 1 0 193.290 2.903 50 0 in-vitro AFAARO C[NH2+]CC1CCCCCCC1 71790881 343558893 /nfs/dbraw/zinc/55/88/93/343558893.db2.gz VKUSPJXTNFZNKV-UHFFFAOYSA-N 1 0 155.285 2.566 50 0 in-vitro AFAARO CC[C@H]1C[NH2+]CC[C@@H]1c1ccccc1 71790843 343558954 /nfs/dbraw/zinc/55/89/54/343558954.db2.gz HJLMDBFLDGLUCM-AAEUAGOBSA-N 1 0 189.302 2.790 50 0 AFAARO CCc1ccc([C@H]2C[C@H](C)CC[NH2+]2)o1 71790820 343558983 /nfs/dbraw/zinc/55/89/83/343558983.db2.gz TVXUKQIKMWSFQP-MWLCHTKSSA-N 1 0 193.290 2.903 50 0 in-vitro AFAARO Cc1ccc([C@@H]2C[C@H](C)CC[NH2+]2)o1 71790806 343558992 /nfs/dbraw/zinc/55/89/92/343558992.db2.gz VSCIJPMQUFXFGX-SCZZXKLOSA-N 1 0 179.263 2.649 50 0 in-vitro AFAARO CC[C@H]1C[NH2+]CC[C@H]1c1ccccc1 71790845 343559028 /nfs/dbraw/zinc/55/90/28/343559028.db2.gz HJLMDBFLDGLUCM-WCQYABFASA-N 1 0 189.302 2.790 50 0 AFAARO CCc1ccc([C@@H]2C[C@H](C)CC[NH2+]2)o1 71790819 343559046 /nfs/dbraw/zinc/55/90/46/343559046.db2.gz TVXUKQIKMWSFQP-KOLCDFICSA-N 1 0 193.290 2.903 50 0 in-vitro AFAARO Cc1cccc(C)c1[C@H]1CCC[NH2+]1 72201465 343561349 /nfs/dbraw/zinc/56/13/49/343561349.db2.gz XDBWPROXDXLPDU-LLVKDONJSA-N 1 0 175.275 2.728 50 0 in-vitro AFAARO Cc1cc(F)ccc1[C@H]1CCC[NH2+]1 72201511 343561573 /nfs/dbraw/zinc/56/15/73/343561573.db2.gz NYXFCKRWEIIQPB-LLVKDONJSA-N 1 0 179.238 2.559 50 0 AFAARO C[C@H]([NH3+])[C@@H](C)C1CCCCC1 72266689 343568525 /nfs/dbraw/zinc/56/85/25/343568525.db2.gz YXLQIAOHRCHNEY-BDAKNGLRSA-N 1 0 155.285 2.550 50 0 in-vitro AFAARO C[C@H]([NH3+])[C@H](C)C1CCCCC1 72266690 343568604 /nfs/dbraw/zinc/56/86/04/343568604.db2.gz YXLQIAOHRCHNEY-IUCAKERBSA-N 1 0 155.285 2.550 50 0 in-vitro AFAARO CC1(C)CCc2sc(C[NH3+])cc2C1 72312142 343568892 /nfs/dbraw/zinc/56/88/92/343568892.db2.gz QFTHGGBSIUUZJT-UHFFFAOYSA-N 1 0 195.331 2.722 50 0 in-vitro AFAARO CCCC1(CCC)CCC[NH2+]1 75542338 343577472 /nfs/dbraw/zinc/57/74/72/343577472.db2.gz RCDUVHIXLKAHCE-UHFFFAOYSA-N 1 0 155.285 2.709 50 0 AFAARO CC12C[C@@H]3C[C@H](C1)CC(C[NH3+])(C3)C2 75569647 343577930 /nfs/dbraw/zinc/57/79/30/343577930.db2.gz ADIWBFCAFMHINM-ZYANWLCNSA-N 1 0 179.307 2.552 50 0 in-vitro AFAARO CC1(C)CCC(C)(C[NH3+])CC1 77260907 343580717 /nfs/dbraw/zinc/58/07/17/343580717.db2.gz ZODLBQCWLXDQOX-UHFFFAOYSA-N 1 0 155.285 2.552 50 0 AFAARO CCC(C)(C)c1ccc(C[NH3+])cc1 82164374 343595792 /nfs/dbraw/zinc/59/57/92/343595792.db2.gz LFDGDTMOBLZAPS-UHFFFAOYSA-N 1 0 177.291 2.833 50 0 in-vitro AFAARO C[C@H]([NH3+])c1cc2c(s1)CCCC2 82163993 343595816 /nfs/dbraw/zinc/59/58/16/343595816.db2.gz NFZGOIWICQUNQQ-ZETCQYMHSA-N 1 0 181.304 2.647 50 0 in-vitro AFAARO CCCN(CCC)c1cc[nH+]cc1 82237596 343596509 /nfs/dbraw/zinc/59/65/09/343596509.db2.gz QERPFDRCBSOYMF-UHFFFAOYSA-N 1 0 178.279 2.708 50 0 AFAARO Cc1cccc([C@H]([NH3+])CCC(C)C)n1 82451513 343604112 /nfs/dbraw/zinc/60/41/12/343604112.db2.gz AWVGQVJKGSXLSA-LLVKDONJSA-N 1 0 192.306 2.826 50 0 AFAARO Cc1cccc([C@@H]([NH3+])CCC(C)C)n1 82451515 343604269 /nfs/dbraw/zinc/60/42/69/343604269.db2.gz AWVGQVJKGSXLSA-NSHDSACASA-N 1 0 192.306 2.826 50 0 AFAARO Cc1ccc([C@@H](C)[NH3+])c(OC(C)C)c1 82502107 343605370 /nfs/dbraw/zinc/60/53/70/343605370.db2.gz NNGUHQZMQPDEPG-SNVBAGLBSA-N 1 0 193.290 2.802 50 0 AFAARO Cc1ccc([C@H](C)[NH3+])c(OC(C)C)c1 82502110 343605507 /nfs/dbraw/zinc/60/55/07/343605507.db2.gz NNGUHQZMQPDEPG-JTQLQIEISA-N 1 0 193.290 2.802 50 0 AFAARO CC(C)Oc1cc(Cl)ccc1C[NH3+] 82638662 343608858 /nfs/dbraw/zinc/60/88/58/343608858.db2.gz CNBWVYYYBNGYHT-UHFFFAOYSA-N 1 0 199.681 2.586 50 0 AFAARO CC(C)[C@@H]1[NH2+]CC[C@@H]1c1ccccc1 82786578 343612441 /nfs/dbraw/zinc/61/24/41/343612441.db2.gz SSSKJUZHKJLCDA-OLZOCXBDSA-N 1 0 189.302 2.788 50 0 AFAARO CC(C)[C@H]1[NH2+]CC[C@H]1c1ccccc1 82786572 343612462 /nfs/dbraw/zinc/61/24/62/343612462.db2.gz SSSKJUZHKJLCDA-QWHCGFSZSA-N 1 0 189.302 2.788 50 0 AFAARO CC(C)[C@@H]1[NH2+]CC[C@H]1c1ccccc1 82786573 343612489 /nfs/dbraw/zinc/61/24/89/343612489.db2.gz SSSKJUZHKJLCDA-STQMWFEESA-N 1 0 189.302 2.788 50 0 AFAARO CC(C)[C@H]1[NH2+]CC[C@@H]1c1ccccc1 82786576 343612590 /nfs/dbraw/zinc/61/25/90/343612590.db2.gz SSSKJUZHKJLCDA-CHWSQXEVSA-N 1 0 189.302 2.788 50 0 AFAARO C[C@H]1C[C@H](Cc2ccccc2)CC[NH2+]1 82882157 343614969 /nfs/dbraw/zinc/61/49/69/343614969.db2.gz OFGKRESMPJWYJJ-WCQYABFASA-N 1 0 189.302 2.617 50 0 in-vitro AFAARO C[C@H]1CC[C@@H]([NH3+])c2ccccc21 83255033 343617652 /nfs/dbraw/zinc/61/76/52/343617652.db2.gz HPLRBWQBQGXWTA-GZMMTYOYSA-N 1 0 161.248 2.584 50 0 in-vitro AFAARO CC1(C)CCc2ccccc2[C@H]1[NH3+] 83255054 343617834 /nfs/dbraw/zinc/61/78/34/343617834.db2.gz BXNUTDVMNFQGLN-LLVKDONJSA-N 1 0 175.275 2.659 50 0 in-vitro AFAARO CCc1sc([C@H](C)[NH3+])cc1C 83254999 343617884 /nfs/dbraw/zinc/61/78/84/343617884.db2.gz YNLKXFLDVCEWTJ-ZETCQYMHSA-N 1 0 169.293 2.639 50 0 in-vitro AFAARO CC1(C)CCc2ccccc2[C@@H]1[NH3+] 83255052 343617893 /nfs/dbraw/zinc/61/78/93/343617893.db2.gz BXNUTDVMNFQGLN-NSHDSACASA-N 1 0 175.275 2.659 50 0 in-vitro AFAARO CC(C)[C@@H]1CCC[C@@H]([NH3+])CC1 83437078 343619629 /nfs/dbraw/zinc/61/96/29/343619629.db2.gz VXEVPIVWDPNFBM-NXEZZACHSA-N 1 0 155.285 2.550 50 0 in-vitro AFAARO CC(C)[C@@H]1CCC[C@H]([NH3+])CC1 83437076 343619663 /nfs/dbraw/zinc/61/96/63/343619663.db2.gz VXEVPIVWDPNFBM-ZJUUUORDSA-N 1 0 155.285 2.550 50 0 in-vitro AFAARO CC(C)[C@H]1CCC[C@@H]([NH3+])CC1 83437079 343619688 /nfs/dbraw/zinc/61/96/88/343619688.db2.gz VXEVPIVWDPNFBM-VHSXEESVSA-N 1 0 155.285 2.550 50 0 in-vitro AFAARO CC(C)[C@H]1CCC[C@H]([NH3+])CC1 83437077 343620070 /nfs/dbraw/zinc/62/00/70/343620070.db2.gz VXEVPIVWDPNFBM-UWVGGRQHSA-N 1 0 155.285 2.550 50 0 in-vitro AFAARO CC[C@H]1[NH2+]CCc2cc(F)c(F)cc21 83621496 343621971 /nfs/dbraw/zinc/62/19/71/343621971.db2.gz JOZKZLOAWZMSPD-LLVKDONJSA-N 1 0 197.228 2.562 50 0 AFAARO Cc1ccc(C[C@]2(C)CCC[NH2+]2)cc1 85698459 343646420 /nfs/dbraw/zinc/64/64/20/343646420.db2.gz PBZSQOFKAMEMGC-ZDUSSCGKSA-N 1 0 189.302 2.680 50 0 in-vitro AFAARO Cc1cccc(C[C@@]2(C)CCC[NH2+]2)c1 85698606 343646436 /nfs/dbraw/zinc/64/64/36/343646436.db2.gz HCEQMTFYAIBZRY-CYBMUJFWSA-N 1 0 189.302 2.680 50 0 in-vitro AFAARO CC[C@@]1(CC(C)C)CCC[NH2+]1 85698823 343646465 /nfs/dbraw/zinc/64/64/65/343646465.db2.gz IBMDDFLQZDSEQU-JTQLQIEISA-N 1 0 155.285 2.565 50 0 AFAARO Cc1cccc(C[C@]2(C)CCC[NH2+]2)c1 85698603 343646522 /nfs/dbraw/zinc/64/65/22/343646522.db2.gz HCEQMTFYAIBZRY-ZDUSSCGKSA-N 1 0 189.302 2.680 50 0 in-vitro AFAARO C[C@@]1(Cc2ccccc2F)CCC[NH2+]1 85698106 343646526 /nfs/dbraw/zinc/64/65/26/343646526.db2.gz DBODQUNEQJUGIJ-LBPRGKRZSA-N 1 0 193.265 2.510 50 0 AFAARO C[C@]1(CC2CCCC2)CCC[NH2+]1 85697752 343646545 /nfs/dbraw/zinc/64/65/45/343646545.db2.gz BWAFSHLDVGFVHP-LLVKDONJSA-N 1 0 167.296 2.709 50 0 AFAARO C[C@]1(Cc2cccc(F)c2)CCC[NH2+]1 85697707 343646635 /nfs/dbraw/zinc/64/66/35/343646635.db2.gz BTEJEOMPFZNDFK-GFCCVEGCSA-N 1 0 193.265 2.510 50 0 AFAARO CC[C@]1(CC(C)C)CCC[NH2+]1 85698820 343646684 /nfs/dbraw/zinc/64/66/84/343646684.db2.gz IBMDDFLQZDSEQU-SNVBAGLBSA-N 1 0 155.285 2.565 50 0 AFAARO C[C@@]1(Cc2ccc(F)cc2)CCC[NH2+]1 85698331 343646702 /nfs/dbraw/zinc/64/67/02/343646702.db2.gz RGMHMTZMDCMTJL-LBPRGKRZSA-N 1 0 193.265 2.510 50 0 AFAARO C[C@]1(Cc2ccccc2F)CCC[NH2+]1 85698101 343646728 /nfs/dbraw/zinc/64/67/28/343646728.db2.gz DBODQUNEQJUGIJ-GFCCVEGCSA-N 1 0 193.265 2.510 50 0 AFAARO C[C@@]1(CC2CCCC2)CCC[NH2+]1 85697754 343646742 /nfs/dbraw/zinc/64/67/42/343646742.db2.gz BWAFSHLDVGFVHP-NSHDSACASA-N 1 0 167.296 2.709 50 0 AFAARO CC[C@@]1(Cc2ccccc2)CCC[NH2+]1 85699480 343646752 /nfs/dbraw/zinc/64/67/52/343646752.db2.gz DDZOXKHVZSVUPH-ZDUSSCGKSA-N 1 0 189.302 2.761 50 0 AFAARO Cc1ccc(C[C@@]2(C)CCC[NH2+]2)cc1 85698461 343646777 /nfs/dbraw/zinc/64/67/77/343646777.db2.gz PBZSQOFKAMEMGC-CYBMUJFWSA-N 1 0 189.302 2.680 50 0 in-vitro AFAARO CC[C@]1(Cc2ccccc2)CCC[NH2+]1 85699479 343646781 /nfs/dbraw/zinc/64/67/81/343646781.db2.gz DDZOXKHVZSVUPH-CYBMUJFWSA-N 1 0 189.302 2.761 50 0 AFAARO CC[C@H]1C[C@@]1([NH3+])c1cccc(C)c1 86202005 343649714 /nfs/dbraw/zinc/64/97/14/343649714.db2.gz PDMGEVAHVUYGPY-JQWIXIFHSA-N 1 0 175.275 2.579 50 0 in-vitro AFAARO CC[C@@H]1C[C@]1([NH3+])c1cccc(C)c1 86201998 343649834 /nfs/dbraw/zinc/64/98/34/343649834.db2.gz PDMGEVAHVUYGPY-ZYHUDNBSSA-N 1 0 175.275 2.579 50 0 in-vitro AFAARO CC[C@H]1C[C@]1([NH3+])c1cccc(C)c1 86202000 343649898 /nfs/dbraw/zinc/64/98/98/343649898.db2.gz PDMGEVAHVUYGPY-CMPLNLGQSA-N 1 0 175.275 2.579 50 0 in-vitro AFAARO CC(C)[N@H+](C)Cc1cc(Cl)ccn1 86129434 343649919 /nfs/dbraw/zinc/64/99/19/343649919.db2.gz MBOIUJRHHRJIRQ-UHFFFAOYSA-N 1 0 198.697 2.575 50 0 in-vitro AFAARO CC[C@@H]1C[C@@]1([NH3+])c1cccc(C)c1 86202003 343650012 /nfs/dbraw/zinc/65/00/12/343650012.db2.gz PDMGEVAHVUYGPY-PWSUYJOCSA-N 1 0 175.275 2.579 50 0 in-vitro AFAARO CC[C@@H]1C[C@]1([NH3+])c1ccc(Cl)cc1 86202221 343650300 /nfs/dbraw/zinc/65/03/00/343650300.db2.gz FCGRPVQZGCPWAA-LDYMZIIASA-N 1 0 195.693 2.924 50 0 in-vitro AFAARO CC[C@H]1C[C@@]1([NH3+])c1ccc(Cl)cc1 86202227 343650306 /nfs/dbraw/zinc/65/03/06/343650306.db2.gz FCGRPVQZGCPWAA-KWQFWETISA-N 1 0 195.693 2.924 50 0 in-vitro AFAARO CC[C@@H]1C[C@@]1([NH3+])c1ccc(Cl)cc1 86202225 343650571 /nfs/dbraw/zinc/65/05/71/343650571.db2.gz FCGRPVQZGCPWAA-KCJUWKMLSA-N 1 0 195.693 2.924 50 0 in-vitro AFAARO Cc1ccc([C@H]2CC[C@@H]2[NH3+])c(C)c1 87935210 343665468 /nfs/dbraw/zinc/66/54/68/343665468.db2.gz NCTDAHSPXWJWFO-NEPJUHHUSA-N 1 0 175.275 2.508 50 0 AFAARO Cc1ccc([C@@H]2CC[C@H]2[NH3+])c(C)c1 87935211 343665655 /nfs/dbraw/zinc/66/56/55/343665655.db2.gz NCTDAHSPXWJWFO-NWDGAFQWSA-N 1 0 175.275 2.508 50 0 AFAARO Cc1ccc([C@H]2CC[C@H]2[NH3+])c(C)c1 87935212 343665694 /nfs/dbraw/zinc/66/56/94/343665694.db2.gz NCTDAHSPXWJWFO-VXGBXAGGSA-N 1 0 175.275 2.508 50 0 AFAARO Cc1ccc([C@@H]2CC[C@@H]2[NH3+])c(C)c1 87935209 343665709 /nfs/dbraw/zinc/66/57/09/343665709.db2.gz NCTDAHSPXWJWFO-RYUDHWBXSA-N 1 0 175.275 2.508 50 0 AFAARO C[NH2+]C1CC(C)(C)CC(C)(C)C1 90505391 343676273 /nfs/dbraw/zinc/67/62/73/343676273.db2.gz MKNUHZFSHYERMW-UHFFFAOYSA-N 1 0 169.312 2.811 50 0 AFAARO C[C@H]1CC[NH2+]CC12CCCCC2 95829635 343688281 /nfs/dbraw/zinc/68/82/81/343688281.db2.gz TVLSMDVQXJUDGZ-JTQLQIEISA-N 1 0 167.296 2.566 50 0 in-vitro AFAARO C[C@@H](Cc1ccccc1)[NH+]1CCCC1 96026793 343692058 /nfs/dbraw/zinc/69/20/58/343692058.db2.gz AWNZMWZMSDWFCV-LBPRGKRZSA-N 1 0 189.302 2.713 50 0 AFAARO C[C@H]1[C@H](c2ccccc2)CCC[N@@H+]1C 96026897 343692153 /nfs/dbraw/zinc/69/21/53/343692153.db2.gz YGSCDPRMMHMQBM-WCQYABFASA-N 1 0 189.302 2.884 50 0 AFAARO CCCC1([NH2+]C)CCCCC1 96026907 343692331 /nfs/dbraw/zinc/69/23/31/343692331.db2.gz ALNGUGKZXQSWSR-UHFFFAOYSA-N 1 0 155.285 2.709 50 0 AFAARO C[C@@H]1[C@H](c2ccccc2)CCC[N@@H+]1C 96026896 343692441 /nfs/dbraw/zinc/69/24/41/343692441.db2.gz YGSCDPRMMHMQBM-DGCLKSJQSA-N 1 0 189.302 2.884 50 0 AFAARO C[C@H]1[C@@H](c2ccccc2)CCC[N@@H+]1C 96026899 343692473 /nfs/dbraw/zinc/69/24/73/343692473.db2.gz YGSCDPRMMHMQBM-AAEUAGOBSA-N 1 0 189.302 2.884 50 0 AFAARO C[C@@H]1[C@@H](c2ccccc2)CCC[N@@H+]1C 96026898 343692477 /nfs/dbraw/zinc/69/24/77/343692477.db2.gz YGSCDPRMMHMQBM-YPMHNXCESA-N 1 0 189.302 2.884 50 0 AFAARO C[C@@H]1CCc2ccccc2[C@@H]1[NH+](C)C 96027061 343692742 /nfs/dbraw/zinc/69/27/42/343692742.db2.gz AFYUWGRTECDOMU-ZWNOBZJWSA-N 1 0 189.302 2.872 50 0 AFAARO C[C@H]1CCc2ccccc2[C@@H]1[NH+](C)C 96027062 343692763 /nfs/dbraw/zinc/69/27/63/343692763.db2.gz AFYUWGRTECDOMU-GXFFZTMASA-N 1 0 189.302 2.872 50 0 AFAARO C[C@H]1CCc2ccccc2[C@H]1[NH+](C)C 96027064 343692960 /nfs/dbraw/zinc/69/29/60/343692960.db2.gz AFYUWGRTECDOMU-GWCFXTLKSA-N 1 0 189.302 2.872 50 0 AFAARO CCC1(CC)CCC[NH2+]CC1 96034637 343694571 /nfs/dbraw/zinc/69/45/71/343694571.db2.gz HXPJBAVMNKVDLR-UHFFFAOYSA-N 1 0 155.285 2.566 50 0 in-vitro AFAARO C[C@H]1CC[NH+]=C2CCCC[C@@H]21 96545073 343699680 /nfs/dbraw/zinc/69/96/80/343699680.db2.gz VYWUEZNUFCWXQV-DTWKUNHWSA-N 1 0 151.253 2.657 50 0 AFAARO C[C@H]1CC[NH+]=C2CCCC[C@H]21 96545075 343699697 /nfs/dbraw/zinc/69/96/97/343699697.db2.gz VYWUEZNUFCWXQV-IUCAKERBSA-N 1 0 151.253 2.657 50 0 AFAARO C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@]([NH3+])(C3)C2 100210150 343712713 /nfs/dbraw/zinc/71/27/13/343712713.db2.gz BUGYDGFZZOZRHP-CDECOKDKSA-N 1 0 179.307 2.694 50 0 world AFAARO CC[C@@]12C[C@@H]3C[C@@H](C[C@@]([NH3+])(C3)C1)C2 100262298 343714185 /nfs/dbraw/zinc/71/41/85/343714185.db2.gz OVQNSGBYKOJYBK-CDECOKDKSA-N 1 0 179.307 2.694 50 0 AFAARO CC[C@H](C)N1Cc2ccccc2C1=[NH2+] 100745808 343720376 /nfs/dbraw/zinc/72/03/76/343720376.db2.gz RFTHZWUILKNFAY-VIFPVBQESA-N 1 0 188.274 2.626 50 0 AFAARO CCC(=C[NH+]1CCCC1)CC 100811143 343720556 /nfs/dbraw/zinc/72/05/56/343720556.db2.gz NMCUYNPUEJQBIW-UHFFFAOYSA-N 1 0 153.269 2.786 50 0 AFAARO CC1=C[C@H](C)[C@@H](C[NH+](C)C)[C@H](C)C1 100985052 343721585 /nfs/dbraw/zinc/72/15/85/343721585.db2.gz WNWZCRBTVSIPOX-QJPTWQEYSA-N 1 0 181.323 2.786 50 0 AFAARO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1C[NH3+] 101268525 343723238 /nfs/dbraw/zinc/72/32/38/343723238.db2.gz BMNCNNYYLCTHDB-GMTAPVOTSA-N 1 0 169.312 2.654 50 0 in-vitro AFAARO CC1(C)CC(C[NH3+])CC(C)(C)C1 114336724 343762875 /nfs/dbraw/zinc/76/28/75/343762875.db2.gz NEVCGYUBKUPZRL-UHFFFAOYSA-N 1 0 169.312 2.798 50 0 in-vitro AFAARO CC[C@]1(Cc2ccccc2)CC[NH2+]C1 116394230 343769505 /nfs/dbraw/zinc/76/95/05/343769505.db2.gz PZMGZOYZNYSDJE-CYBMUJFWSA-N 1 0 189.302 2.619 50 0 AFAARO FC1(F)CCC([C@@H]2CCC[NH2+]2)CC1 127060267 343803856 /nfs/dbraw/zinc/80/38/56/343803856.db2.gz VELMLPYAVVUZJH-VIFPVBQESA-N 1 0 189.249 2.564 50 0 AFAARO CCC(CC)C[C@@H]([NH3+])c1ccncc1 128040327 343823532 /nfs/dbraw/zinc/82/35/32/343823532.db2.gz FPIIQJXWUVPAEI-GFCCVEGCSA-N 1 0 192.306 2.908 50 0 AFAARO CCC(CC)C[C@H]([NH3+])c1ccncc1 128040103 343823771 /nfs/dbraw/zinc/82/37/71/343823771.db2.gz FPIIQJXWUVPAEI-LBPRGKRZSA-N 1 0 192.306 2.908 50 0 AFAARO [NH3+]Cc1cc(Cl)c(Cl)s1 140009615 343997445 /nfs/dbraw/zinc/99/74/45/343997445.db2.gz FNOSDPLGPQNSMH-UHFFFAOYSA-N 1 0 182.075 2.514 50 0 AFAARO Cc1c(Cl)ccc2[nH]cnc12 143982808 344023323 /nfs/dbraw/zinc/02/33/23/344023323.db2.gz RFPIYIJPDBSYMR-UHFFFAOYSA-N 1 0 166.611 2.525 50 0 in-vitro AFAARO CCN1Cc2ccc(Cl)cc2C1 201095538 344364180 /nfs/dbraw/zinc/36/41/80/344364180.db2.gz QTSAIWNAEYFRPV-UHFFFAOYSA-N 1 0 181.666 2.676 50 0 AFAARO Cc1ccc([C@@H]2C[NH2+]CC2(C)C)cc1 219308796 344422526 /nfs/dbraw/zinc/42/25/26/344422526.db2.gz FGYAAYAZNOUYPJ-LBPRGKRZSA-N 1 0 189.302 2.708 50 0 AFAARO Cc1ccc([C@H]2C[NH2+]CC2(C)C)cc1 219308827 344422613 /nfs/dbraw/zinc/42/26/13/344422613.db2.gz FGYAAYAZNOUYPJ-GFCCVEGCSA-N 1 0 189.302 2.708 50 0 AFAARO C[C@@H]1CCC[NH2+][C@@H]1C1CCCCC1 219602529 344425459 /nfs/dbraw/zinc/42/54/59/344425459.db2.gz QEZQLEMVHFECLZ-PWSUYJOCSA-N 1 0 181.323 2.955 50 0 AFAARO C[C@@H]1CC[NH2+]C[C@@H]1C1CCCCC1 219602262 344425447 /nfs/dbraw/zinc/42/54/47/344425447.db2.gz PGYCKPYFTAJYEI-PWSUYJOCSA-N 1 0 181.323 2.812 50 0 AFAARO C[C@H]1CC[C@H](C2CCCCC2)[NH2+]C1 219602872 344425456 /nfs/dbraw/zinc/42/54/56/344425456.db2.gz QTOOFWPEBRDMBP-CMPLNLGQSA-N 1 0 181.323 2.955 50 0 AFAARO C[C@@H]1CCC[NH2+][C@H]1C1CCCCC1 219602644 344425466 /nfs/dbraw/zinc/42/54/66/344425466.db2.gz QEZQLEMVHFECLZ-ZYHUDNBSSA-N 1 0 181.323 2.955 50 0 AFAARO C[C@@H]1CC[C@H](C2CCCCC2)[NH2+]C1 219602792 344425507 /nfs/dbraw/zinc/42/55/07/344425507.db2.gz QTOOFWPEBRDMBP-ZYHUDNBSSA-N 1 0 181.323 2.955 50 0 AFAARO C[C@H]1CCC[NH2+][C@@H]1C1CCCCC1 219602595 344425545 /nfs/dbraw/zinc/42/55/45/344425545.db2.gz QEZQLEMVHFECLZ-JQWIXIFHSA-N 1 0 181.323 2.955 50 0 AFAARO C[C@H]1CCC[NH2+][C@H]1C1CCCCC1 219602712 344425557 /nfs/dbraw/zinc/42/55/57/344425557.db2.gz QEZQLEMVHFECLZ-CMPLNLGQSA-N 1 0 181.323 2.955 50 0 AFAARO C[C@@H]1CC[NH2+]C[C@H]1C1CCCCC1 219602377 344425652 /nfs/dbraw/zinc/42/56/52/344425652.db2.gz PGYCKPYFTAJYEI-ZYHUDNBSSA-N 1 0 181.323 2.812 50 0 AFAARO C[C@@H]1CC[C@@H](C2CCCCC2)[NH2+]C1 219602914 344425696 /nfs/dbraw/zinc/42/56/96/344425696.db2.gz QTOOFWPEBRDMBP-PWSUYJOCSA-N 1 0 181.323 2.955 50 0 AFAARO C[C@H]1CC[NH2+]C[C@H]1C1CCCCC1 219602449 344425698 /nfs/dbraw/zinc/42/56/98/344425698.db2.gz PGYCKPYFTAJYEI-CMPLNLGQSA-N 1 0 181.323 2.812 50 0 AFAARO C[C@H]1CC[NH2+]C[C@@H]1C1CCCCC1 219602325 344425711 /nfs/dbraw/zinc/42/57/11/344425711.db2.gz PGYCKPYFTAJYEI-JQWIXIFHSA-N 1 0 181.323 2.812 50 0 AFAARO C[C@H]1CC[C@@H](C2CCCCC2)[NH2+]C1 219603001 344425782 /nfs/dbraw/zinc/42/57/82/344425782.db2.gz QTOOFWPEBRDMBP-JQWIXIFHSA-N 1 0 181.323 2.955 50 0 AFAARO C[C@]1(c2ccccc2)CCC[NH2+]CC1 224937462 344474673 /nfs/dbraw/zinc/47/46/73/344474673.db2.gz XROKUYOSRDIQDC-ZDUSSCGKSA-N 1 0 189.302 2.718 50 0 in-vitro AFAARO C[C@@]1(c2ccccc2)CCC[NH2+]CC1 224937506 344474844 /nfs/dbraw/zinc/47/48/44/344474844.db2.gz XROKUYOSRDIQDC-CYBMUJFWSA-N 1 0 189.302 2.718 50 0 in-vitro AFAARO C[C@@H]1CC[C@@H](C2CCCC2)C[NH2+]1 235342165 344744436 /nfs/dbraw/zinc/74/44/36/344744436.db2.gz HGPFSZCYHPLMEF-MWLCHTKSSA-N 1 0 167.296 2.565 50 0 AFAARO C1CC(CC2CC2)(CC2CC2)C[NH2+]1 238051537 344791968 /nfs/dbraw/zinc/79/19/68/344791968.db2.gz PLIJIDBUYDFXQO-UHFFFAOYSA-N 1 0 179.307 2.566 50 0 AFAARO [NH3+]Cc1coc2cccc(Cl)c12 238573148 344813876 /nfs/dbraw/zinc/81/38/76/344813876.db2.gz RXDQQHHKRLLOKC-UHFFFAOYSA-N 1 0 181.622 2.545 50 0 AFAARO CC[C@H](C)[NH2+][C@H]1CCCC[C@H]1C 238854557 344823913 /nfs/dbraw/zinc/82/39/13/344823913.db2.gz OIZHKVFLWCNMPM-VWYCJHECSA-N 1 0 169.312 2.953 50 0 AFAARO CC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C 238854555 344823962 /nfs/dbraw/zinc/82/39/62/344823962.db2.gz OIZHKVFLWCNMPM-OUAUKWLOSA-N 1 0 169.312 2.953 50 0 AFAARO Cc1cc(Cl)cc(C[NH3+])c1Cl 247937894 344827107 /nfs/dbraw/zinc/82/71/07/344827107.db2.gz SZDWBXFSPLYJMN-UHFFFAOYSA-N 1 0 190.073 2.761 50 0 AFAARO C[C@H]1CCC[C@@H](C)[C@@H]1[NH2+]C1CC1 251578898 344859352 /nfs/dbraw/zinc/85/93/52/344859352.db2.gz AXZUCHFKKQGHPR-JZYVYDRUSA-N 1 0 167.296 2.563 50 0 AFAARO FCC[NH+]1CCC2(CCCC2)CC1 306250257 345141880 /nfs/dbraw/zinc/14/18/80/345141880.db2.gz YSUACDYSYVYKCK-UHFFFAOYSA-N 1 0 185.286 2.612 50 0 AFAARO C[C@@H]1[NH2+]CCC[C@H]1C1CCCCC1 306609792 345483808 /nfs/dbraw/zinc/48/38/08/345483808.db2.gz KLEUZLBRULFFCD-CMPLNLGQSA-N 1 0 181.323 2.955 50 0 AFAARO C[C@H]1[NH2+]CCC[C@H]1C1CCCCC1 306609795 345483834 /nfs/dbraw/zinc/48/38/34/345483834.db2.gz KLEUZLBRULFFCD-ZYHUDNBSSA-N 1 0 181.323 2.955 50 0 AFAARO C[C@H]1[NH2+]CCC[C@@H]1C1CCCCC1 306609794 345483910 /nfs/dbraw/zinc/48/39/10/345483910.db2.gz KLEUZLBRULFFCD-PWSUYJOCSA-N 1 0 181.323 2.955 50 0 AFAARO C[C@@H]1[NH2+]CCC[C@@H]1C1CCCCC1 306609793 345484193 /nfs/dbraw/zinc/48/41/93/345484193.db2.gz KLEUZLBRULFFCD-JQWIXIFHSA-N 1 0 181.323 2.955 50 0 AFAARO c1ccc(C[NH2+]C2(C3CC3)CC2)cc1 306710247 345563643 /nfs/dbraw/zinc/56/36/43/345563643.db2.gz WCQZZPICAWYHIY-UHFFFAOYSA-N 1 0 187.286 2.719 50 0 AFAARO Cc1c(C[NH3+])ccc(Cl)c1Cl 307452902 346049212 /nfs/dbraw/zinc/04/92/12/346049212.db2.gz YGSANGNHUKFZRC-UHFFFAOYSA-N 1 0 190.073 2.761 50 0 AFAARO CC(C)[C@H]1[NH2+]CC12CCCCCC2 307562705 346114649 /nfs/dbraw/zinc/11/46/49/346114649.db2.gz BPISNDDDCUHALG-LLVKDONJSA-N 1 0 181.323 2.955 50 0 AFAARO CC(C)[C@@H]1[NH2+]CC12CCCCCC2 307562719 346114660 /nfs/dbraw/zinc/11/46/60/346114660.db2.gz BPISNDDDCUHALG-NSHDSACASA-N 1 0 181.323 2.955 50 0 AFAARO C[C@]1(F)CCC[N@@H+](C2CCCC2)C1 336275371 346451188 /nfs/dbraw/zinc/45/11/88/346451188.db2.gz JDAVFXYRNNGUES-NSHDSACASA-N 1 0 185.286 2.753 50 0 AFAARO C[C@@]1(F)CCC[N@@H+](C2CCCC2)C1 336275370 346451233 /nfs/dbraw/zinc/45/12/33/346451233.db2.gz JDAVFXYRNNGUES-LLVKDONJSA-N 1 0 185.286 2.753 50 0 AFAARO c1ccc(NC2CCCCC2)nc1 135490 351270851 /nfs/dbraw/zinc/27/08/51/351270851.db2.gz UUMQKWWKCDCMJS-UHFFFAOYSA-N 1 0 176.263 2.826 50 0 in-vitro AFAARO c1ccc2c(c1)CCN2c1cc[nH+]cc1 186923 351273292 /nfs/dbraw/zinc/27/32/92/351273292.db2.gz MDTNISUGFOXDPD-UHFFFAOYSA-N 1 0 196.253 2.776 50 0 AFAARO c1ccc(CNc2cc[nH+]cc2)cc1 265744 351274556 /nfs/dbraw/zinc/27/45/56/351274556.db2.gz LCUREJHJUJCKQS-UHFFFAOYSA-N 1 0 184.242 2.694 50 0 in-vitro AFAARO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccco1 293040 351274622 /nfs/dbraw/zinc/27/46/22/351274622.db2.gz NBHGOQKKOCVQLI-ZYHUDNBSSA-N 1 0 193.290 2.948 50 0 AFAARO c1ccc(C[NH2+]C2CCCCC2)nc1 293134 351274667 /nfs/dbraw/zinc/27/46/67/351274667.db2.gz KUBDCHSZNMFKFV-UHFFFAOYSA-N 1 0 190.290 2.504 50 0 in-vitro AFAARO c1ccc(C[NH2+]Cc2ccco2)cc1 322401 351275218 /nfs/dbraw/zinc/27/52/18/351275218.db2.gz WDTGNYDDCJERKR-UHFFFAOYSA-N 1 0 187.242 2.569 50 0 in-vitro AFAARO CC(C)CCOc1ccc(C[NH3+])cc1 319248 351275296 /nfs/dbraw/zinc/27/52/96/351275296.db2.gz VBNCKGMOSXBVRO-UHFFFAOYSA-N 1 0 193.290 2.570 50 0 AFAARO c1coc(C[NH2+]C2CCCCC2)c1 316926 351275449 /nfs/dbraw/zinc/27/54/49/351275449.db2.gz JHGGKHHNNMLMKP-UHFFFAOYSA-N 1 0 179.263 2.702 50 0 in-vitro AFAARO c1csc(-c2cnc3n2CCC3)c1 388812 351276893 /nfs/dbraw/zinc/27/68/93/351276893.db2.gz LYZIBEKPTIUDDV-UHFFFAOYSA-N 1 0 190.271 2.558 50 0 in-vitro AFAARO c1coc(C[NH2+]Cc2cccs2)c1 807149 351281773 /nfs/dbraw/zinc/28/17/73/351281773.db2.gz ZIBXJYYJXSSFBJ-UHFFFAOYSA-N 1 0 193.271 2.631 50 0 in-vitro AFAARO c1ccc(C[NH2+]Cc2ccccc2)cc1 1504123 351286166 /nfs/dbraw/zinc/28/61/66/351286166.db2.gz BWLUMTFWVZZZND-UHFFFAOYSA-N 1 0 197.281 2.976 50 0 AFAARO C[C@@H](c1ccccc1)C(C)(C)[NH3+] 1481894 351286434 /nfs/dbraw/zinc/28/64/34/351286434.db2.gz UMWAUEZOGHNSCH-VIFPVBQESA-N 1 0 163.264 2.527 50 0 in-man AFAARO c1ccc([C@H]2CCC[NH2+]CC2)cc1 1593276 351289119 /nfs/dbraw/zinc/28/91/19/351289119.db2.gz AHKQOPMYYACTFC-LBPRGKRZSA-N 1 0 175.275 2.544 50 0 in-vitro AFAARO C[C@@H]1C[C@H](c2ccccc2)CC[NH2+]1 1662171 351292342 /nfs/dbraw/zinc/29/23/42/351292342.db2.gz IVPJZROSRBWYLS-ZYHUDNBSSA-N 1 0 175.275 2.542 50 0 in-vitro AFAARO C[C@@H](c1ccccc1)[C@@H](C)[NH+](C)C 1720948 351297755 /nfs/dbraw/zinc/29/77/55/351297755.db2.gz YWJQXWWYGFLQNJ-GHMZBOCLSA-N 1 0 177.291 2.740 50 0 AFAARO c1ccc2c(c1)C[NH2+]Cc1ccccc1-2 1727821 351298755 /nfs/dbraw/zinc/29/87/55/351298755.db2.gz FHYFQRCUSZETDW-UHFFFAOYSA-N 1 0 195.265 2.957 50 0 in-vitro AFAARO CC[PH+](CC)CC 1846538 351300383 /nfs/dbraw/zinc/30/03/83/351300383.db2.gz RXJKFRMDXUJTEX-UHFFFAOYSA-N 1 0 118.160 2.528 50 0 in-vitro AFAARO c1ccc2c([C@H]3CCC[NH2+]3)c[nH]c2c1 2038420 351302234 /nfs/dbraw/zinc/30/22/34/351302234.db2.gz MAVAXPFTVGSHTB-GFCCVEGCSA-N 1 0 186.258 2.592 50 0 AFAARO CC1=C[C@@H](C)[C@H](C[NH+](C)C)[C@@H](C)C1 2272137 351305379 /nfs/dbraw/zinc/30/53/79/351305379.db2.gz WNWZCRBTVSIPOX-WOPDTQHZSA-N 1 0 181.323 2.786 50 0 AFAARO C[C@H]1CCC[N@H+](Cc2ccccc2)C1 2380555 351306299 /nfs/dbraw/zinc/30/62/99/351306299.db2.gz VUEWBPBFUKIDKK-LBPRGKRZSA-N 1 0 189.302 2.919 50 0 AFAARO CC1(C)[C@@H](c2ccccc2)CC[N+]1=O 2381591 351306431 /nfs/dbraw/zinc/30/64/31/351306431.db2.gz MUXKTUGSCKJXKI-LLVKDONJSA-N 1 0 189.258 2.534 50 0 AFAARO c1ccc(SC2CC[NH2+]CC2)cc1 2513155 351308385 /nfs/dbraw/zinc/30/83/85/351308385.db2.gz CMFUYNUDGNDTGC-UHFFFAOYSA-N 1 0 193.315 2.531 50 0 in-vitro AFAARO c1ccc(S[C@H]2CCC[NH2+]C2)cc1 2559471 351311183 /nfs/dbraw/zinc/31/11/83/351311183.db2.gz MIRYNHKEQYZFKF-NSHDSACASA-N 1 0 193.315 2.531 50 0 in-vitro AFAARO c1csc([C@@H]2CCCC[NH2+]2)c1 2577414 351313016 /nfs/dbraw/zinc/31/30/16/351313016.db2.gz IRHBPLJGCWXMPV-QMMMGPOBSA-N 1 0 167.277 2.563 50 0 in-vitro AFAARO c1ccc([C@H]2CCCC[NH2+]2)cc1 2731858 351314177 /nfs/dbraw/zinc/31/41/77/351314177.db2.gz WGIAUTGOUJDVEI-LLVKDONJSA-N 1 0 161.248 2.501 50 0 in-vitro AFAARO CC(C)CCCCCC[NH3+] 2584585 351314408 /nfs/dbraw/zinc/31/44/08/351314408.db2.gz DZDVMKLYUKZMKK-UHFFFAOYSA-N 1 0 143.274 2.552 50 0 AFAARO c1ccc2[nH]c([C@@H]3CCC[NH2+]3)cc2c1 2582596 351314460 /nfs/dbraw/zinc/31/44/60/351314460.db2.gz OMBLRQAOBHNNED-NSHDSACASA-N 1 0 186.258 2.592 50 0 in-vitro AFAARO CCOc1ccc([C@@H]2CCC[NH2+]2)cc1 2582584 351314593 /nfs/dbraw/zinc/31/45/93/351314593.db2.gz PAFDTMCQTGTHTN-LBPRGKRZSA-N 1 0 191.274 2.510 50 0 in-vitro AFAARO c1csc([C@H]2CCCC[NH2+]2)c1 3734421 351319049 /nfs/dbraw/zinc/31/90/49/351319049.db2.gz IRHBPLJGCWXMPV-MRVPVSSYSA-N 1 0 167.277 2.563 50 0 in-vitro AFAARO CC(C)C[C@@H]([NH3+])c1ccccc1 3378507 351318295 /nfs/dbraw/zinc/31/82/95/351318295.db2.gz ZTLDKBMTEANJRD-LLVKDONJSA-N 1 0 163.264 2.733 50 0 in-vitro AFAARO CC(C)C[C@@H]1CCCCC[NH2+]1 3734863 351319113 /nfs/dbraw/zinc/31/91/13/351319113.db2.gz GRVWYQLLHYYWCT-JTQLQIEISA-N 1 0 155.285 2.565 50 0 in-vitro AFAARO CCSc1ccc([C@@H](C)[NH3+])cc1 3705656 351319139 /nfs/dbraw/zinc/31/91/39/351319139.db2.gz JPVWEKHGATUZRP-MRVPVSSYSA-N 1 0 181.304 2.818 50 0 in-vitro AFAARO CCOc1ccc([C@H]2CCC[NH2+]2)cc1 3732259 351319192 /nfs/dbraw/zinc/31/91/92/351319192.db2.gz PAFDTMCQTGTHTN-GFCCVEGCSA-N 1 0 191.274 2.510 50 0 in-vitro AFAARO CCOc1ccccc1[C@H]1CCC[NH2+]1 3732355 351319204 /nfs/dbraw/zinc/31/92/04/351319204.db2.gz BQXZOGXUPMYSLZ-LLVKDONJSA-N 1 0 191.274 2.510 50 0 in-vitro AFAARO c1csc([C@H]2CCCCC[NH2+]2)c1 3734843 351319229 /nfs/dbraw/zinc/31/92/29/351319229.db2.gz KRQAQWCVTRHERQ-SECBINFHSA-N 1 0 181.304 2.953 50 0 in-vitro AFAARO c1ccc([C@H]2CCCCC[NH2+]2)cc1 3734844 351319274 /nfs/dbraw/zinc/31/92/74/351319274.db2.gz QFRVVKIFIHGQCH-GFCCVEGCSA-N 1 0 175.275 2.891 50 0 in-vitro AFAARO CCOc1ccccc1[C@@H]1CCC[NH2+]1 3732356 351319276 /nfs/dbraw/zinc/31/92/76/351319276.db2.gz BQXZOGXUPMYSLZ-NSHDSACASA-N 1 0 191.274 2.510 50 0 in-vitro AFAARO CC(C)C[C@H]1CCCCC[NH2+]1 3734862 351319455 /nfs/dbraw/zinc/31/94/55/351319455.db2.gz GRVWYQLLHYYWCT-SNVBAGLBSA-N 1 0 155.285 2.565 50 0 in-vitro AFAARO c1ccc2[nH]c([C@H]3CCC[NH2+]3)cc2c1 3732311 351319474 /nfs/dbraw/zinc/31/94/74/351319474.db2.gz OMBLRQAOBHNNED-LLVKDONJSA-N 1 0 186.258 2.592 50 0 in-vitro AFAARO c1ccc2oc([C@@H]3CCC[NH2+]3)cc2c1 3732485 351319490 /nfs/dbraw/zinc/31/94/90/351319490.db2.gz VIZJJXVNOAMZKE-JTQLQIEISA-N 1 0 187.242 2.857 50 0 AFAARO C1=C[N@@H+]2CC[C@H]1[C@@H](c1ccccc1)C2 4101142 351324638 /nfs/dbraw/zinc/32/46/38/351324638.db2.gz XXXSCUCFBYKATL-QWHCGFSZSA-N 1 0 185.270 2.619 50 0 AFAARO C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 4288726 351327023 /nfs/dbraw/zinc/32/70/23/351327023.db2.gz VUEWBPBFUKIDKK-GFCCVEGCSA-N 1 0 189.302 2.919 50 0 AFAARO c1ccc(C[NH2+]CC2CCC2)cc1 4627558 351331306 /nfs/dbraw/zinc/33/13/06/351331306.db2.gz RZZDZPJDYKHZJI-UHFFFAOYSA-N 1 0 175.275 2.576 50 0 in-vitro AFAARO c1cc(NC2CCCCC2)cc[nH+]1 4763893 351333666 /nfs/dbraw/zinc/33/36/66/351333666.db2.gz WDRQQCOWXCWKGZ-UHFFFAOYSA-N 1 0 176.263 2.826 50 0 AFAARO CC(C)C[NH2+][C@H](C)c1ccccc1 5832919 351347283 /nfs/dbraw/zinc/34/72/83/351347283.db2.gz GSYBPFPVGKYUTI-LLVKDONJSA-N 1 0 177.291 2.993 50 0 AFAARO CC[C@@H](C)[NH2+]Cc1cccs1 5907310 351347587 /nfs/dbraw/zinc/34/75/87/351347587.db2.gz UPNAXMIPDHAVNJ-MRVPVSSYSA-N 1 0 169.293 2.636 50 0 AFAARO CC(C)C[NH2+][C@@H](C)c1ccccc1 5832911 351347659 /nfs/dbraw/zinc/34/76/59/351347659.db2.gz GSYBPFPVGKYUTI-NSHDSACASA-N 1 0 177.291 2.993 50 0 AFAARO CC[C@@H](C)[NH2+]Cc1ccccc1OC 5907299 351347785 /nfs/dbraw/zinc/34/77/85/351347785.db2.gz MRINNIJISAVYPH-SNVBAGLBSA-N 1 0 193.290 2.583 50 0 AFAARO c1ccc(C[NH2+]C2CCCC2)cc1 6650870 351352850 /nfs/dbraw/zinc/35/28/50/351352850.db2.gz PPVZYCGBQWWSKG-UHFFFAOYSA-N 1 0 175.275 2.719 50 0 in-vitro AFAARO CC(C)C[C@H]1CCCC[C@H]1[NH3+] 6780113 351353714 /nfs/dbraw/zinc/35/37/14/351353714.db2.gz BERGTQGYSVHLAW-NXEZZACHSA-N 1 0 155.285 2.550 50 0 AFAARO c1coc(C[NH2+]CC2CCCCC2)c1 6675785 351353862 /nfs/dbraw/zinc/35/38/62/351353862.db2.gz MDRQFFRRMDAGLN-UHFFFAOYSA-N 1 0 193.290 2.950 50 0 AFAARO CC[C@@H](C)[NH2+]Cc1ccc(OC)cc1 8325992 351356024 /nfs/dbraw/zinc/35/60/24/351356024.db2.gz BFIFDYOBNXBOST-SNVBAGLBSA-N 1 0 193.290 2.583 50 0 in-vitro AFAARO CC[C@@H](C)[NH2+]Cc1ccccc1C 8326036 351356097 /nfs/dbraw/zinc/35/60/97/351356097.db2.gz GBGHSGWPPGNEAQ-LLVKDONJSA-N 1 0 177.291 2.883 50 0 in-vitro AFAARO CC[C@@H](C)[NH2+]Cc1ccccc1F 8326038 351356299 /nfs/dbraw/zinc/35/62/99/351356299.db2.gz YMNDDCDZEXRZEW-SECBINFHSA-N 1 0 181.254 2.714 50 0 in-vitro AFAARO CC[C@@H](C)[NH2+]Cc1ccc(C)cc1 8325991 351356345 /nfs/dbraw/zinc/35/63/45/351356345.db2.gz VREWBJMUDAEIED-LLVKDONJSA-N 1 0 177.291 2.883 50 0 in-vitro AFAARO CC[C@@H](C)[NH2+]Cc1cccc(OC)c1 8326012 351356441 /nfs/dbraw/zinc/35/64/41/351356441.db2.gz ORPHYGSUWZTHAY-SNVBAGLBSA-N 1 0 193.290 2.583 50 0 AFAARO c1cc(C[NH2+]C2CCCC2)cs1 9225024 351358122 /nfs/dbraw/zinc/35/81/22/351358122.db2.gz XBPRHSCVSGJXIW-UHFFFAOYSA-N 1 0 181.304 2.780 50 0 AFAARO c1ccc(Nc2cc[nH+]cc2)cc1 11535658 351359736 /nfs/dbraw/zinc/35/97/36/351359736.db2.gz DKQSRQLSDPYGCJ-UHFFFAOYSA-N 1 0 170.215 2.825 50 0 in-vitro AFAARO CCOc1ccccc1C[NH2+]C(C)C 10435913 351359905 /nfs/dbraw/zinc/35/99/05/351359905.db2.gz IZBZDCFTPIRHFD-UHFFFAOYSA-N 1 0 193.290 2.583 50 0 AFAARO CCOc1ccc(C[NH2+]C(C)C)cc1 10435907 351359989 /nfs/dbraw/zinc/35/99/89/351359989.db2.gz ZDLALHMIFXHJAP-UHFFFAOYSA-N 1 0 193.290 2.583 50 0 in-vitro AFAARO CCOc1cccc(C[NH2+]C(C)C)c1 10436079 351360233 /nfs/dbraw/zinc/36/02/33/351360233.db2.gz ZHJPONNYEKIUMO-UHFFFAOYSA-N 1 0 193.290 2.583 50 0 AFAARO C[C@@H]1C[C@@]1([NH3+])c1ccc(Cl)cc1 11883994 351361725 /nfs/dbraw/zinc/36/17/25/351361725.db2.gz SGEDZMQZECEZOF-XCBNKYQSSA-N 1 0 181.666 2.534 50 0 in-vitro AFAARO C[C@@H]1C[C@]1([NH3+])c1ccc(Cl)cc1 11883999 351361832 /nfs/dbraw/zinc/36/18/32/351361832.db2.gz SGEDZMQZECEZOF-GMSGAONNSA-N 1 0 181.666 2.534 50 0 in-vitro AFAARO CC(C)([NH3+])c1ccc(Cl)cc1 11883987 351362287 /nfs/dbraw/zinc/36/22/87/351362287.db2.gz JCUUNSQUTQELEZ-UHFFFAOYSA-N 1 0 169.655 2.534 50 0 in-vitro AFAARO CC(C)COc1ccc([C@H](C)[NH3+])cc1 12506438 351366663 /nfs/dbraw/zinc/36/66/63/351366663.db2.gz BZNMSGYKWGSJBS-JTQLQIEISA-N 1 0 193.290 2.741 50 0 in-vitro AFAARO CC(C)COc1ccc([C@@H](C)[NH3+])cc1 12506436 351366744 /nfs/dbraw/zinc/36/67/44/351366744.db2.gz BZNMSGYKWGSJBS-SNVBAGLBSA-N 1 0 193.290 2.741 50 0 in-vitro AFAARO CC[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 19881877 351396432 /nfs/dbraw/zinc/39/64/32/351396432.db2.gz ROHFXYWHSAYEPJ-MRVPVSSYSA-N 1 0 199.244 2.853 50 0 AFAARO CC[C@@H](C)[NH2+]Cc1cccc(C)c1 19881869 351396503 /nfs/dbraw/zinc/39/65/03/351396503.db2.gz FXYQPIHNQMUXND-LLVKDONJSA-N 1 0 177.291 2.883 50 0 AFAARO CC(C)CC[NH2+]Cc1ccccc1F 13718214 351371457 /nfs/dbraw/zinc/37/14/57/351371457.db2.gz BKVHAUSSZROIGQ-UHFFFAOYSA-N 1 0 195.281 2.961 50 0 AFAARO CC(C)CC[NH2+]Cc1ccc(F)cc1 13717864 351371542 /nfs/dbraw/zinc/37/15/42/351371542.db2.gz KKCJDMOPKOULCN-UHFFFAOYSA-N 1 0 195.281 2.961 50 0 AFAARO c1ccc(S[C@@H]2CCC[NH2+]C2)cc1 15020940 351376706 /nfs/dbraw/zinc/37/67/06/351376706.db2.gz MIRYNHKEQYZFKF-LLVKDONJSA-N 1 0 193.315 2.531 50 0 in-vitro AFAARO CC[C@@H](C)[NH2+]Cc1sccc1C 16610298 351379692 /nfs/dbraw/zinc/37/96/92/351379692.db2.gz NUDFKGPGTCEWRP-SECBINFHSA-N 1 0 183.320 2.945 50 0 in-vitro AFAARO C[C@@H]1CC(C)(C)C[C@@](C)([NH3+])C1 17418097 351383830 /nfs/dbraw/zinc/38/38/30/351383830.db2.gz WCYNWVWYGZJUFX-SCZZXKLOSA-N 1 0 155.285 2.550 50 0 AFAARO CCSCC[NH2+]C1CCCCC1 19094110 351387509 /nfs/dbraw/zinc/38/75/09/351387509.db2.gz VDULVDBRQGVTGB-UHFFFAOYSA-N 1 0 187.352 2.662 50 0 AFAARO CC(C)(c1ccccc1)[C@@H]1CCC[NH2+]1 19267671 351388654 /nfs/dbraw/zinc/38/86/54/351388654.db2.gz PICOUQAMNMBZQH-LBPRGKRZSA-N 1 0 189.302 2.716 50 0 in-vitro AFAARO CC(C)(c1ccccc1)[C@H]1CCC[NH2+]1 19267674 351388745 /nfs/dbraw/zinc/38/87/45/351388745.db2.gz PICOUQAMNMBZQH-GFCCVEGCSA-N 1 0 189.302 2.716 50 0 in-vitro AFAARO CC[C@@H](C)[C@@H]([NH3+])c1ccccc1 19415345 351389311 /nfs/dbraw/zinc/38/93/11/351389311.db2.gz PCELVXFUVRHMRO-MWLCHTKSSA-N 1 0 163.264 2.733 50 0 AFAARO c1coc([C@H]2[NH2+]CCc3ccccc32)c1 19375433 351389448 /nfs/dbraw/zinc/38/94/48/351389448.db2.gz NTXMEXFAECISTB-ZDUSSCGKSA-N 1 0 199.253 2.515 50 0 biogenic,in-vitro AFAARO c1coc([C@@H]2[NH2+]CCc3ccccc32)c1 19375434 351389543 /nfs/dbraw/zinc/38/95/43/351389543.db2.gz NTXMEXFAECISTB-CYBMUJFWSA-N 1 0 199.253 2.515 50 0 biogenic,in-vitro AFAARO CC[C@@H](C)[C@H]([NH3+])c1ccccc1 19415349 351389584 /nfs/dbraw/zinc/38/95/84/351389584.db2.gz PCELVXFUVRHMRO-KOLCDFICSA-N 1 0 163.264 2.733 50 0 AFAARO CC(C)C[C@@H]([NH3+])c1ccc(F)cc1 19414367 351389647 /nfs/dbraw/zinc/38/96/47/351389647.db2.gz KQXMFKQKVIPXIM-LLVKDONJSA-N 1 0 181.254 2.872 50 0 AFAARO c1ccc2c(c1)C[NH2+]CC21CCCC1 19789206 351394947 /nfs/dbraw/zinc/39/49/47/351394947.db2.gz UODMFNSQKOIWLQ-UHFFFAOYSA-N 1 0 187.286 2.602 50 0 in-vitro AFAARO CC(C)C[C@@H]([NH3+])c1cccs1 19842099 351395069 /nfs/dbraw/zinc/39/50/69/351395069.db2.gz PGVBRDBJESXVRL-MRVPVSSYSA-N 1 0 169.293 2.794 50 0 AFAARO CC(C)C[NH2+][C@@H]1CCC[C@@H](C)C1 19882953 351396445 /nfs/dbraw/zinc/39/64/45/351396445.db2.gz LHBPUHAIRCOUJI-GHMZBOCLSA-N 1 0 169.312 2.811 50 0 AFAARO CC(C)C[NH2+][C@H]1CCC[C@H](C)C1 19882957 351396522 /nfs/dbraw/zinc/39/65/22/351396522.db2.gz LHBPUHAIRCOUJI-QWRGUYRKSA-N 1 0 169.312 2.811 50 0 AFAARO CC(C)C[NH2+]Cc1c(F)cccc1F 19882935 351396583 /nfs/dbraw/zinc/39/65/83/351396583.db2.gz HHNGHXQAUUSJIE-UHFFFAOYSA-N 1 0 199.244 2.710 50 0 AFAARO CC(C)C[NH2+]Cc1cccc(F)c1 19882929 351396687 /nfs/dbraw/zinc/39/66/87/351396687.db2.gz HCNBCVDBTLLOSB-UHFFFAOYSA-N 1 0 181.254 2.571 50 0 AFAARO CC[C@@H](C)[NH2+]C1CCC(C)CC1 19881884 351396693 /nfs/dbraw/zinc/39/66/93/351396693.db2.gz AXCSAFQXFKHKLF-HSOILSAZSA-N 1 0 169.312 2.953 50 0 AFAARO CC[C@@H](C)[NH2+]Cc1ccc(F)cc1F 19881845 351396737 /nfs/dbraw/zinc/39/67/37/351396737.db2.gz IGOSZLFAANMAOG-MRVPVSSYSA-N 1 0 199.244 2.853 50 0 AFAARO CC(C)C[NH2+][C@H]1CCC[C@@H](C)C1 19882954 351396851 /nfs/dbraw/zinc/39/68/51/351396851.db2.gz LHBPUHAIRCOUJI-MNOVXSKESA-N 1 0 169.312 2.811 50 0 AFAARO CC(C)C[NH2+]C1CCCCCC1 19882939 351397002 /nfs/dbraw/zinc/39/70/02/351397002.db2.gz OZODQPLTZOYKLN-UHFFFAOYSA-N 1 0 169.312 2.955 50 0 AFAARO CC(C)C[NH2+]Cc1ccc(F)cc1F 19882925 351397123 /nfs/dbraw/zinc/39/71/23/351397123.db2.gz JIOQVVXVCFAYOS-UHFFFAOYSA-N 1 0 199.244 2.710 50 0 AFAARO CC[C@@H](C)[NH2+]CCc1ccc(F)cc1 19904180 351397632 /nfs/dbraw/zinc/39/76/32/351397632.db2.gz QUVZNUALAJSECA-SNVBAGLBSA-N 1 0 195.281 2.756 50 0 AFAARO CC(C)CC[NH2+]Cc1cccc(F)c1 19911829 351397725 /nfs/dbraw/zinc/39/77/25/351397725.db2.gz WOQMCZVCNPBKMR-UHFFFAOYSA-N 1 0 195.281 2.961 50 0 AFAARO CC(C)CC[NH2+]C1CCCC1 19883363 351397788 /nfs/dbraw/zinc/39/77/88/351397788.db2.gz FVOLGLBAXIMDIZ-UHFFFAOYSA-N 1 0 155.285 2.565 50 0 in-vitro AFAARO CC(C)CC[NH2+][C@H](C)c1ccco1 19911992 351397906 /nfs/dbraw/zinc/39/79/06/351397906.db2.gz PSOYPKPGCHCPCS-SNVBAGLBSA-N 1 0 181.279 2.976 50 0 AFAARO CC(C)C[NH2+][C@H]1CCc2ccccc21 19883089 351397934 /nfs/dbraw/zinc/39/79/34/351397934.db2.gz WHDRDJFAIDMMND-ZDUSSCGKSA-N 1 0 189.302 2.920 50 0 AFAARO CC(C)CC[NH2+][C@@H](C)c1ccco1 19911991 351398013 /nfs/dbraw/zinc/39/80/13/351398013.db2.gz PSOYPKPGCHCPCS-JTQLQIEISA-N 1 0 181.279 2.976 50 0 AFAARO CC[C@@H](C)[NH2+]CCc1ccccc1F 19912818 351398201 /nfs/dbraw/zinc/39/82/01/351398201.db2.gz YJHHTABTMSFBET-SNVBAGLBSA-N 1 0 195.281 2.756 50 0 AFAARO CC(C)C[NH2+]CCc1ccccc1F 19912633 351398219 /nfs/dbraw/zinc/39/82/19/351398219.db2.gz YTVAVVDPTGXDSK-UHFFFAOYSA-N 1 0 195.281 2.614 50 0 AFAARO CC(C)C[NH2+]CCc1ccc(F)cc1 19904035 351398262 /nfs/dbraw/zinc/39/82/62/351398262.db2.gz KJIGKKNHRXPSJR-UHFFFAOYSA-N 1 0 195.281 2.614 50 0 in-vitro AFAARO CC(C)C[NH2+][C@@H]1CCCC[C@@H]1C 19945071 351398849 /nfs/dbraw/zinc/39/88/49/351398849.db2.gz UZNFSPGJZQGVEN-WDEREUQCSA-N 1 0 169.312 2.811 50 0 AFAARO CC[C@@H](C)[NH2+]CCc1cccs1 19949427 351399033 /nfs/dbraw/zinc/39/90/33/351399033.db2.gz QZTBJMXIUFWSPT-SECBINFHSA-N 1 0 183.320 2.679 50 0 AFAARO CC(C)C[NH2+]CCc1cccs1 19948609 351399062 /nfs/dbraw/zinc/39/90/62/351399062.db2.gz DYKHKAAVZWCVSZ-UHFFFAOYSA-N 1 0 183.320 2.536 50 0 AFAARO CC(C)C[NH2+][C@H]1CCCC[C@H]1C 19945079 351399181 /nfs/dbraw/zinc/39/91/81/351399181.db2.gz UZNFSPGJZQGVEN-MNOVXSKESA-N 1 0 169.312 2.811 50 0 AFAARO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccco1 20084073 351399548 /nfs/dbraw/zinc/39/95/48/351399548.db2.gz XQEGZTXLSXXLCF-NXEZZACHSA-N 1 0 181.279 2.804 50 0 AFAARO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccco1 20084078 351399796 /nfs/dbraw/zinc/39/97/96/351399796.db2.gz XQEGZTXLSXXLCF-ZJUUUORDSA-N 1 0 181.279 2.804 50 0 AFAARO c1ccc2oc(C[NH2+]C3CC3)cc2c1 20082942 351399805 /nfs/dbraw/zinc/39/98/05/351399805.db2.gz JTYWJQLBCDIUGU-UHFFFAOYSA-N 1 0 187.242 2.685 50 0 AFAARO CC[C@@H](C)[C@H](C)[NH2+]C1CCCC1 20085983 351399950 /nfs/dbraw/zinc/39/99/50/351399950.db2.gz LTAUULSBBMCGOE-ZJUUUORDSA-N 1 0 169.312 2.953 50 0 AFAARO CC[C@@H](C)C[NH2+]Cc1ccc(F)cc1 20090618 351400289 /nfs/dbraw/zinc/40/02/89/351400289.db2.gz JMMNOCIRZDAMNU-SNVBAGLBSA-N 1 0 195.281 2.961 50 0 AFAARO CC[C@@H](C)[C@@H](C)[NH2+]C1CCCC1 20085979 351400371 /nfs/dbraw/zinc/40/03/71/351400371.db2.gz LTAUULSBBMCGOE-NXEZZACHSA-N 1 0 169.312 2.953 50 0 AFAARO CC[C@@H](C)C[NH2+]CCc1cccs1 20091108 351400399 /nfs/dbraw/zinc/40/03/99/351400399.db2.gz PBJBIXJGHSBHCY-SNVBAGLBSA-N 1 0 197.347 2.926 50 0 AFAARO CC[C@@H](C)C[NH2+]Cc1cccs1 20139568 351401030 /nfs/dbraw/zinc/40/10/30/351401030.db2.gz YEEXSHXCVCSNBD-SECBINFHSA-N 1 0 183.320 2.884 50 0 AFAARO CC[C@@H](C)C[NH2+]Cc1cccc(F)c1 20473299 351406258 /nfs/dbraw/zinc/40/62/58/351406258.db2.gz MUJPMOBZAGTIFG-SNVBAGLBSA-N 1 0 195.281 2.961 50 0 AFAARO C[C@@H]1[NH2+]C(C)(C)Cc2ccccc21 21952889 351409098 /nfs/dbraw/zinc/40/90/98/351409098.db2.gz JPJDSRANHWZZEB-VIFPVBQESA-N 1 0 175.275 2.672 50 0 in-vitro AFAARO C[C@@H]1C[NH2+]CCc2ccc(Cl)cc21 22011749 351411502 /nfs/dbraw/zinc/41/15/02/351411502.db2.gz XTTZERNUQAFMOF-MRVPVSSYSA-N 1 0 195.693 2.589 50 0 in-vitro AFAARO CC(C)C[C@H](C)[NH2+]Cc1ccco1 22150246 351411914 /nfs/dbraw/zinc/41/19/14/351411914.db2.gz BMFPUDLVBYHXDM-JTQLQIEISA-N 1 0 181.279 2.804 50 0 AFAARO CC(C)C[C@@H]1CCCC[C@@H]1[NH3+] 22129946 351411944 /nfs/dbraw/zinc/41/19/44/351411944.db2.gz BERGTQGYSVHLAW-UWVGGRQHSA-N 1 0 155.285 2.550 50 0 AFAARO CC(C)C[C@H]1CCCC[C@@H]1[NH3+] 22129947 351412198 /nfs/dbraw/zinc/41/21/98/351412198.db2.gz BERGTQGYSVHLAW-ZJUUUORDSA-N 1 0 155.285 2.550 50 0 AFAARO CC(C)C[C@@H](C)[NH2+]Cc1ccco1 22150243 351412289 /nfs/dbraw/zinc/41/22/89/351412289.db2.gz BMFPUDLVBYHXDM-SNVBAGLBSA-N 1 0 181.279 2.804 50 0 AFAARO C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CC1 22143100 351412585 /nfs/dbraw/zinc/41/25/85/351412585.db2.gz AXZUCHFKKQGHPR-RKDXNWHRSA-N 1 0 167.296 2.563 50 0 AFAARO CC(C)CCOc1ccccc1C[NH3+] 22209986 351413492 /nfs/dbraw/zinc/41/34/92/351413492.db2.gz VFGAFGJOOSZYOJ-UHFFFAOYSA-N 1 0 193.290 2.570 50 0 in-vitro AFAARO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2CC2)o1 22216448 351413704 /nfs/dbraw/zinc/41/37/04/351413704.db2.gz HNYUESMNEYITJE-LDYMZIIASA-N 1 0 191.274 2.655 50 0 in-vitro AFAARO CC(C)COc1cccc([C@H](C)[NH3+])c1 22171721 351413789 /nfs/dbraw/zinc/41/37/89/351413789.db2.gz FNBGJSZOOIKBJS-JTQLQIEISA-N 1 0 193.290 2.741 50 0 AFAARO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CC2)o1 22216442 351413953 /nfs/dbraw/zinc/41/39/53/351413953.db2.gz HNYUESMNEYITJE-KCJUWKMLSA-N 1 0 191.274 2.655 50 0 in-vitro AFAARO c1ccc2c([C@H]3CC[NH2+]C3)cccc2c1 26493216 351419741 /nfs/dbraw/zinc/41/97/41/351419741.db2.gz KTMCVZGLGDBGJZ-LBPRGKRZSA-N 1 0 197.281 2.917 50 0 in-vivo AFAARO c1ccc(-c2cc3c(o2)C[NH2+]CC3)cc1 34090787 351434714 /nfs/dbraw/zinc/43/47/14/351434714.db2.gz JRHOIDQOQHNYOT-UHFFFAOYSA-N 1 0 199.253 2.592 50 0 in-vitro AFAARO CC(C)CCC[C@H](C)CC[NH3+] 34070750 351434849 /nfs/dbraw/zinc/43/48/49/351434849.db2.gz PPKSYRUVTABEIE-JTQLQIEISA-N 1 0 157.301 2.798 50 0 in-vitro AFAARO C[C@@H]1CCC[C@H](c2ccccc2)[NH2+]1 34449264 351440939 /nfs/dbraw/zinc/44/09/39/351440939.db2.gz JYJBTYOECUQNLE-ZYHUDNBSSA-N 1 0 175.275 2.890 50 0 AFAARO CC(C)CCOCC[C@H]1CCCC[NH2+]1 34972576 351446799 /nfs/dbraw/zinc/44/67/99/351446799.db2.gz ZJDLMUBGCDJNJB-GFCCVEGCSA-N 1 0 199.338 2.581 50 0 AFAARO CC(C)CCOCC[C@@H]1CCCC[NH2+]1 34972574 351447054 /nfs/dbraw/zinc/44/70/54/351447054.db2.gz ZJDLMUBGCDJNJB-LBPRGKRZSA-N 1 0 199.338 2.581 50 0 AFAARO CC(C)C[NH2+]Cc1cccc(F)c1F 35054703 351447692 /nfs/dbraw/zinc/44/76/92/351447692.db2.gz ZEOCGRSEWRZCJJ-UHFFFAOYSA-N 1 0 199.244 2.710 50 0 AFAARO CC(C)C[NH2+]CCc1cccc(F)c1 35137839 351448184 /nfs/dbraw/zinc/44/81/84/351448184.db2.gz ZKVZLRDKYCLTLY-UHFFFAOYSA-N 1 0 195.281 2.614 50 0 AFAARO CC[C@@H](C)[NH2+]Cc1cccc(F)c1F 35223349 351449817 /nfs/dbraw/zinc/44/98/17/351449817.db2.gz WCELYCHPRKZUSM-MRVPVSSYSA-N 1 0 199.244 2.853 50 0 AFAARO CC[C@@H](C)[NH2+]CCc1cccc(F)c1 36778628 351458520 /nfs/dbraw/zinc/45/85/20/351458520.db2.gz VLQXVXHUKKIUAT-SNVBAGLBSA-N 1 0 195.281 2.756 50 0 AFAARO c1ccc(C[NH2+]Cc2ccoc2)cc1 35572355 351451107 /nfs/dbraw/zinc/45/11/07/351451107.db2.gz HYVHSMSLCFIRFA-UHFFFAOYSA-N 1 0 187.242 2.569 50 0 in-vitro AFAARO C[C@@H]1C[C@H]1[C@H]([NH3+])c1ccc(Cl)cc1 36960418 351462104 /nfs/dbraw/zinc/46/21/04/351462104.db2.gz PAVGZCOWAYRQDC-AVPPRXQKSA-N 1 0 195.693 2.996 50 0 in-vitro AFAARO C[C@@H]1C[C@@H]1[C@H]([NH3+])c1ccc(Cl)cc1 36960414 351462186 /nfs/dbraw/zinc/46/21/86/351462186.db2.gz PAVGZCOWAYRQDC-PPKCKEKNSA-N 1 0 195.693 2.996 50 0 in-vitro AFAARO CC[C@@H](C)[NH2+]Cc1cc(F)ccc1F 37228231 351464119 /nfs/dbraw/zinc/46/41/19/351464119.db2.gz KTVQCUMBQVUNQR-MRVPVSSYSA-N 1 0 199.244 2.853 50 0 AFAARO c1ccc(C[NH2+]CC2CCCC2)cc1 37252028 351465834 /nfs/dbraw/zinc/46/58/34/351465834.db2.gz ZCDCXNDTBVMRDF-UHFFFAOYSA-N 1 0 189.302 2.966 50 0 AFAARO CC(C)CC[C@H]([NH3+])C(C)(C)C 37479342 351468743 /nfs/dbraw/zinc/46/87/43/351468743.db2.gz LJFPUSMWZPOXSC-VIFPVBQESA-N 1 0 157.301 2.796 50 0 in-vitro AFAARO CC(C)C[C@H]([NH3+])c1cccc(F)c1 37466113 351468795 /nfs/dbraw/zinc/46/87/95/351468795.db2.gz MTZBSWZXWHGDDQ-NSHDSACASA-N 1 0 181.254 2.872 50 0 AFAARO CC(C)C[C@@H]([NH3+])c1cccc(F)c1 37466115 351468857 /nfs/dbraw/zinc/46/88/57/351468857.db2.gz MTZBSWZXWHGDDQ-LLVKDONJSA-N 1 0 181.254 2.872 50 0 AFAARO c1csc(C[NH2+]Cc2ccoc2)c1 37900794 351475261 /nfs/dbraw/zinc/47/52/61/351475261.db2.gz IIPSYYNVNLTZEV-UHFFFAOYSA-N 1 0 193.271 2.631 50 0 AFAARO CC(C)CCC[C@@H]1CCCC[NH2+]1 39291288 351499815 /nfs/dbraw/zinc/49/98/15/351499815.db2.gz OVXGRFZPXYVMEZ-NSHDSACASA-N 1 0 169.312 2.955 50 0 AFAARO C[C@@H]1CCC[C@@H](c2ccccc2)[NH2+]1 39289575 351500117 /nfs/dbraw/zinc/50/01/17/351500117.db2.gz JYJBTYOECUQNLE-PWSUYJOCSA-N 1 0 175.275 2.890 50 0 AFAARO C[C@@H]1C[NH2+]Cc2ccc(Cl)cc21 39255906 351500176 /nfs/dbraw/zinc/50/01/76/351500176.db2.gz JOJQDQBZQKZVNI-SSDOTTSWSA-N 1 0 181.666 2.547 50 0 AFAARO C[C@@H]1C[NH2+]Cc2c(Cl)cccc21 39255908 351500320 /nfs/dbraw/zinc/50/03/20/351500320.db2.gz KMFQOPFKQGEQNM-SSDOTTSWSA-N 1 0 181.666 2.547 50 0 AFAARO CC(C)CCC[C@H]1CCCC[NH2+]1 39291290 351501268 /nfs/dbraw/zinc/50/12/68/351501268.db2.gz OVXGRFZPXYVMEZ-LLVKDONJSA-N 1 0 169.312 2.955 50 0 AFAARO c1ccc([C@H]([NH2+]C2CC2)C2CC2)cc1 41045533 351514676 /nfs/dbraw/zinc/51/46/76/351514676.db2.gz BZRUGAZCUVPEMP-ZDUSSCGKSA-N 1 0 187.286 2.890 50 0 AFAARO C[C@@H]1Cc2c(Cl)cccc2[C@@H]1[NH3+] 41201920 351516945 /nfs/dbraw/zinc/51/69/45/351516945.db2.gz PVGOMEMDQFBWCQ-LHLIQPBNSA-N 1 0 181.666 2.532 50 0 AFAARO CC(C)C[C@@H]([NH3+])c1ccccc1F 41201753 351517187 /nfs/dbraw/zinc/51/71/87/351517187.db2.gz YNFJNNLKGBJZJH-LLVKDONJSA-N 1 0 181.254 2.872 50 0 AFAARO c1ccc2c(NC3CC3)cc[nH+]c2c1 41720220 351519759 /nfs/dbraw/zinc/51/97/59/351519759.db2.gz WKENHBOTEXFXNP-UHFFFAOYSA-N 1 0 184.242 2.809 50 0 AFAARO CC(C)CSC[C@@H]1CCCC[NH2+]1 43495322 351528302 /nfs/dbraw/zinc/52/83/02/351528302.db2.gz IKXGWRSPBXVWFP-JTQLQIEISA-N 1 0 187.352 2.518 50 0 AFAARO c1ccc(SC[C@H]2CCC[NH2+]2)cc1 43497066 351528597 /nfs/dbraw/zinc/52/85/97/351528597.db2.gz PHVDMEQASCADMJ-SNVBAGLBSA-N 1 0 193.315 2.531 50 0 AFAARO CC(C)CSC[C@H]1CCCC[NH2+]1 43495325 351528855 /nfs/dbraw/zinc/52/88/55/351528855.db2.gz IKXGWRSPBXVWFP-SNVBAGLBSA-N 1 0 187.352 2.518 50 0 AFAARO CC(C)SCC[C@H]1CCCC[NH2+]1 43499639 351529850 /nfs/dbraw/zinc/52/98/50/351529850.db2.gz PVFMNBGVTZKGMZ-SNVBAGLBSA-N 1 0 187.352 2.660 50 0 AFAARO C[C@@H]1C[C@@H](CC[NH3+])CC(C)(C)C1 43559339 351532237 /nfs/dbraw/zinc/53/22/37/351532237.db2.gz ASRQPIHVICNKCL-NXEZZACHSA-N 1 0 169.312 2.798 50 0 in-vitro AFAARO C[C@@H]1CCCc2ccccc2[C@H]1[NH3+] 43649755 351533469 /nfs/dbraw/zinc/53/34/69/351533469.db2.gz OJUDKQMJOKWXNL-SKDRFNHKSA-N 1 0 175.275 2.659 50 0 in-vitro AFAARO C[C@@H]1[NH2+]CCc2ccc(Cl)cc21 50682651 351555367 /nfs/dbraw/zinc/55/53/67/351555367.db2.gz GHIIYGFXXDYEKQ-ZETCQYMHSA-N 1 0 181.666 2.547 50 0 AFAARO CC[C@@H](C)[NH2+]CCc1cccc(C)c1 51668574 351558235 /nfs/dbraw/zinc/55/82/35/351558235.db2.gz WBKNWDYIHAYQCQ-GFCCVEGCSA-N 1 0 191.318 2.926 50 0 AFAARO c1csc(C[C@H]2CCCCC[NH2+]2)c1 53298019 351569455 /nfs/dbraw/zinc/56/94/55/351569455.db2.gz HWKWFCOPNHOYOI-SNVBAGLBSA-N 1 0 195.331 2.823 50 0 in-vitro AFAARO CC(C)CC[C@H]([NH3+])c1ccncc1 53817148 351569658 /nfs/dbraw/zinc/56/96/58/351569658.db2.gz KNPSAXQUMSPFKT-NSHDSACASA-N 1 0 178.279 2.518 50 0 AFAARO CC(C)CC[C@@H]([NH3+])c1ccncc1 53817149 351569808 /nfs/dbraw/zinc/56/98/08/351569808.db2.gz KNPSAXQUMSPFKT-LLVKDONJSA-N 1 0 178.279 2.518 50 0 AFAARO c1csc(C[C@@H]2CCCCC[NH2+]2)c1 53298016 351570257 /nfs/dbraw/zinc/57/02/57/351570257.db2.gz HWKWFCOPNHOYOI-JTQLQIEISA-N 1 0 195.331 2.823 50 0 in-vitro AFAARO CC(C)C1CCC([NH2+]C2CC2)CC1 54554350 351573923 /nfs/dbraw/zinc/57/39/23/351573923.db2.gz NBZIQVHVDKVPOQ-UHFFFAOYSA-N 1 0 181.323 2.953 50 0 AFAARO CC(C)([NH3+])c1ccc(F)cc1Cl 62607058 351589032 /nfs/dbraw/zinc/58/90/32/351589032.db2.gz HNPSRFWISPLBFT-UHFFFAOYSA-N 1 0 187.645 2.673 50 0 in-vitro AFAARO C[C@@H]1[NH2+][C@H](C)C[C@@H]1c1ccccc1 70587210 351603887 /nfs/dbraw/zinc/60/38/87/351603887.db2.gz NAMYMELPHNHNLV-SCVCMEIPSA-N 1 0 175.275 2.541 50 0 in-vitro AFAARO C[C@@H]1C[C@H](C2CCCCC2)C[NH2+]1 70586550 351603888 /nfs/dbraw/zinc/60/38/88/351603888.db2.gz ISJSWPCHDCEPCA-KOLCDFICSA-N 1 0 167.296 2.565 50 0 AFAARO C[C@@H]1CC[C@H](c2ccccc2)[NH2+]C1 70710130 351606468 /nfs/dbraw/zinc/60/64/68/351606468.db2.gz IWCFBBFSWZZNCW-ZYHUDNBSSA-N 1 0 175.275 2.747 50 0 in-vitro AFAARO c1ccc2c(C3=[NH+]CCC3)c[nH]c2c1 71774138 351612998 /nfs/dbraw/zinc/61/29/98/351612998.db2.gz ICXIKIRWHSQZHS-UHFFFAOYSA-N 1 0 184.242 2.751 50 0 AFAARO c1ccc([C@H]2CCCC[NH2+]C2)cc1 74934269 351623097 /nfs/dbraw/zinc/62/30/97/351623097.db2.gz LLRVWGRIEDLUHM-LBPRGKRZSA-N 1 0 175.275 2.544 50 0 in-vitro AFAARO c1ccc([C@@]23CCCC[C@@H]2C[NH2+]3)cc1 75110706 351624164 /nfs/dbraw/zinc/62/41/64/351624164.db2.gz GDORPEUJQLHRFJ-OLZOCXBDSA-N 1 0 187.286 2.675 50 0 in-vitro AFAARO c1ccc([C@]23CCCC[C@H]2C[NH2+]3)cc1 75110712 351624277 /nfs/dbraw/zinc/62/42/77/351624277.db2.gz GDORPEUJQLHRFJ-QWHCGFSZSA-N 1 0 187.286 2.675 50 0 in-vitro AFAARO c1ccc([C@@]23CCCC[C@H]2C[NH2+]3)cc1 75110710 351624450 /nfs/dbraw/zinc/62/44/50/351624450.db2.gz GDORPEUJQLHRFJ-STQMWFEESA-N 1 0 187.286 2.675 50 0 in-vitro AFAARO CC(C)([NH3+])c1cccc(Cl)c1F 75925393 351625478 /nfs/dbraw/zinc/62/54/78/351625478.db2.gz UMPQIHFEWXPMRM-UHFFFAOYSA-N 1 0 187.645 2.673 50 0 in-vitro AFAARO CC(C)[C@@H]1C[C@H]([NH3+])c2ccccc21 82617900 351640661 /nfs/dbraw/zinc/64/06/61/351640661.db2.gz BFSKPWLYSKGWGF-RYUDHWBXSA-N 1 0 175.275 2.830 50 0 AFAARO C[C@@H]1CC[C@H]([NH3+])c2ccccc21 83255025 351644161 /nfs/dbraw/zinc/64/41/61/351644161.db2.gz HPLRBWQBQGXWTA-KCJUWKMLSA-N 1 0 161.248 2.584 50 0 in-vitro AFAARO C[C@@H]1CC[C@@H]([NH3+])c2ccccc21 83255030 351644547 /nfs/dbraw/zinc/64/45/47/351644547.db2.gz HPLRBWQBQGXWTA-LDYMZIIASA-N 1 0 161.248 2.584 50 0 in-vitro AFAARO CC(C)CC1([NH3+])CCC(F)(F)CC1 83351133 351645421 /nfs/dbraw/zinc/64/54/21/351645421.db2.gz KMUPKHJJOOASSS-UHFFFAOYSA-N 1 0 191.265 2.939 50 0 AFAARO C#[N+]c1cccc(Cl)c1 95686581 351671850 /nfs/dbraw/zinc/67/18/50/351671850.db2.gz UTZNDODICCTTBA-UHFFFAOYSA-N 1 0 137.569 2.891 50 0 in-vitro AFAARO C#[N+]c1ccc(Br)cc1 95698336 351671875 /nfs/dbraw/zinc/67/18/75/351671875.db2.gz UVXCIFWBXFTMOD-UHFFFAOYSA-N 1 0 182.020 3.000 50 0 in-vitro AFAARO C#[N+]c1ccc(Cl)cc1 95670292 351671764 /nfs/dbraw/zinc/67/17/64/351671764.db2.gz QPPCIPBFKQOIMT-UHFFFAOYSA-N 1 0 137.569 2.891 50 0 in-vitro AFAARO C#[N+]c1ccc(OCC)cc1 95698125 351671798 /nfs/dbraw/zinc/67/17/98/351671798.db2.gz IHWIBHZFLANVOR-UHFFFAOYSA-N 1 0 147.177 2.636 50 0 in-vitro AFAARO C#[N+]c1ccc(F)cc1F 95698189 351671905 /nfs/dbraw/zinc/67/19/05/351671905.db2.gz HVMAPJIREWOWSJ-UHFFFAOYSA-N 1 0 139.104 2.516 50 0 in-vitro AFAARO C#[N+]c1ccccc1Cl 95698260 351672069 /nfs/dbraw/zinc/67/20/69/351672069.db2.gz DRNNMKBEVALIPU-UHFFFAOYSA-N 1 0 137.569 2.891 50 0 in-vitro AFAARO C[C@@H]1CC[NH2+]CC12CCCCC2 95829634 351673298 /nfs/dbraw/zinc/67/32/98/351673298.db2.gz TVLSMDVQXJUDGZ-SNVBAGLBSA-N 1 0 167.296 2.566 50 0 in-vitro AFAARO C[C@@H]1CC[NH+]=C2CCCC[C@H]21 96545074 351682932 /nfs/dbraw/zinc/68/29/32/351682932.db2.gz VYWUEZNUFCWXQV-BDAKNGLRSA-N 1 0 151.253 2.657 50 0 AFAARO C[C@@H]1CC[NH+]=C2CCCC[C@@H]21 96545072 351683614 /nfs/dbraw/zinc/68/36/14/351683614.db2.gz VYWUEZNUFCWXQV-RKDXNWHRSA-N 1 0 151.253 2.657 50 0 AFAARO C#[N+]c1ccc(OC)c(Cl)c1 100000361 351686001 /nfs/dbraw/zinc/68/60/01/351686001.db2.gz UUHMPQKKAHKFLE-UHFFFAOYSA-N 1 0 167.595 2.899 50 0 in-vitro AFAARO C#[N+]c1ccc(CC)cc1 100000334 351686025 /nfs/dbraw/zinc/68/60/25/351686025.db2.gz ADMGWKJOPIZBNE-UHFFFAOYSA-N 1 0 131.178 2.800 50 0 in-vitro AFAARO C#[N+]c1cc(C)cc(C)c1 100000335 351686085 /nfs/dbraw/zinc/68/60/85/351686085.db2.gz WUJAMZCCCPVMFT-UHFFFAOYSA-N 1 0 131.178 2.854 50 0 in-vitro AFAARO C#[N+]c1nc(C(F)(F)F)[n-]c1[N+]#C 100030370 351687512 /nfs/dbraw/zinc/68/75/12/351687512.db2.gz MPUXYNLQPUCMCK-UHFFFAOYSA-N 1 0 186.096 2.530 50 0 AFAARO C#[N+]c1ccc2ccn(C)c2c1 100059510 351688790 /nfs/dbraw/zinc/68/87/90/351688790.db2.gz QYUDTZHYXHJZLQ-UHFFFAOYSA-N 1 0 156.188 2.729 50 0 AFAARO C#[N+]c1ccc2[nH]ccc2c1 100167514 351691242 /nfs/dbraw/zinc/69/12/42/351691242.db2.gz IREVRVZABOBJCM-UHFFFAOYSA-N 1 0 142.161 2.719 50 0 AFAARO C#[N+]c1ccc2c(ccn2C)c1 100404766 351696166 /nfs/dbraw/zinc/69/61/66/351696166.db2.gz KNHXYZQUDQVVOO-UHFFFAOYSA-N 1 0 156.188 2.729 50 0 AFAARO CC[C@@H](C)N1Cc2ccccc2C1=[NH2+] 100745807 351701287 /nfs/dbraw/zinc/70/12/87/351701287.db2.gz RFTHZWUILKNFAY-SECBINFHSA-N 1 0 188.274 2.626 50 0 AFAARO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[NH2+]1 101466009 351705388 /nfs/dbraw/zinc/70/53/88/351705388.db2.gz NAMYMELPHNHNLV-FOGDFJRCSA-N 1 0 175.275 2.541 50 0 in-vitro AFAARO c1ccc2c(c1)Nc1cc[nH+]cc1O2 104684162 351714890 /nfs/dbraw/zinc/71/48/90/351714890.db2.gz QEMLWYMNHSJNRH-UHFFFAOYSA-N 1 0 184.198 2.931 50 0 AFAARO [NH3+]Cc1ccc2ccc(Cl)cc2c1 108372791 351721853 /nfs/dbraw/zinc/72/18/53/351721853.db2.gz HEUFBNAUGPHCIB-UHFFFAOYSA-N 1 0 191.661 2.952 50 0 in-vitro AFAARO c1ccc([C@@H]2C[NH2+][C@@H]3CCC[C@@H]32)cc1 113689815 351723453 /nfs/dbraw/zinc/72/34/53/351723453.db2.gz ANUWJZVDTUHQRB-FRRDWIJNSA-N 1 0 187.286 2.542 50 0 in-vitro AFAARO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[NH2+]1 169617183 351770052 /nfs/dbraw/zinc/77/00/52/351770052.db2.gz NAMYMELPHNHNLV-CKYFFXLPSA-N 1 0 175.275 2.541 50 0 in-vitro AFAARO C[C@@H]1C[C@H]1[C@@H]([NH3+])c1ccc(Cl)cc1 169617275 351770076 /nfs/dbraw/zinc/77/00/76/351770076.db2.gz PAVGZCOWAYRQDC-ONOSFVFSSA-N 1 0 195.693 2.996 50 0 in-vitro AFAARO C[C@@H]1C[C@@H]1[C@@H]([NH3+])c1ccc(Cl)cc1 169617274 351770121 /nfs/dbraw/zinc/77/01/21/351770121.db2.gz PAVGZCOWAYRQDC-GGVZMXCHSA-N 1 0 195.693 2.996 50 0 in-vitro AFAARO C[C@@H]1C[C@H]([NH3+])C[C@@H](c2ccccc2)C1 169617359 351770143 /nfs/dbraw/zinc/77/01/43/351770143.db2.gz BPGLCNOUOZBXFX-DRZSPHRISA-N 1 0 189.302 2.918 50 0 in-vitro AFAARO CCCC[Si](C)(C)[NH+](C)C 170154410 351772452 /nfs/dbraw/zinc/77/24/52/351772452.db2.gz AKWXSZZKOUAVJY-UHFFFAOYSA-N 1 0 159.349 2.553 50 0 AFAARO Cc1c(Cl)cc(C[NH3+])cc1Cl 202459147 351782336 /nfs/dbraw/zinc/78/23/36/351782336.db2.gz YZOPMUKZUCONSJ-UHFFFAOYSA-N 1 0 190.073 2.761 50 0 AFAARO c1ccc([C@@H]2C[NH2+][C@H]3CCC[C@H]32)cc1 225502004 351797807 /nfs/dbraw/zinc/79/78/07/351797807.db2.gz ANUWJZVDTUHQRB-AVGNSLFASA-N 1 0 187.286 2.542 50 0 in-vitro AFAARO c1ccc([C@@H]2C[NH2+][C@@H]3CCC[C@H]32)cc1 225501972 351797964 /nfs/dbraw/zinc/79/79/64/351797964.db2.gz ANUWJZVDTUHQRB-RWMBFGLXSA-N 1 0 187.286 2.542 50 0 in-vitro AFAARO c1ccc([C@@H]2C[C@@H]3CC[C@H](C2)[NH2+]3)cc1 238854652 351825578 /nfs/dbraw/zinc/82/55/78/351825578.db2.gz ORRDHOXURKUQRK-CLLJXQQHSA-N 1 0 187.286 2.685 50 0 AFAARO c1ccc([C@H]2[NH2+]CC23CCC3)cc1 238856508 351826456 /nfs/dbraw/zinc/82/64/56/351826456.db2.gz WBXZRRVBGSPLKV-LLVKDONJSA-N 1 0 173.259 2.501 50 0 in-vitro AFAARO C[C@H]1C[C@@H](C(C)(C)C)C[C@@H](C)[NH2+]1 238856497 351826472 /nfs/dbraw/zinc/82/64/72/351826472.db2.gz WASUAYXBDYVZKQ-MYJAWHEDSA-N 1 0 169.312 2.809 50 0 AFAARO c1ccc([C@@H]2[NH2+]CC23CCC3)cc1 238856510 351826654 /nfs/dbraw/zinc/82/66/54/351826654.db2.gz WBXZRRVBGSPLKV-NSHDSACASA-N 1 0 173.259 2.501 50 0 in-vitro AFAARO C[C@@H]1[C@@H](Nc2c[nH]cn2)CCC[C@H]1C 252536418 351840519 /nfs/dbraw/zinc/84/05/19/351840519.db2.gz IMZVADIYFSRRNX-UTLUCORTSA-N 1 0 193.294 2.646 50 0 AFAARO C[C@@H]1CCC[C@H](Nc2c[nH]cn2)[C@@H]1C 252536415 351840642 /nfs/dbraw/zinc/84/06/42/351840642.db2.gz IMZVADIYFSRRNX-BBBLOLIVSA-N 1 0 193.294 2.646 50 0 AFAARO C[C@@H]1CCC[C@@H](Nc2c[nH]cn2)[C@@H]1C 252536417 351840771 /nfs/dbraw/zinc/84/07/71/351840771.db2.gz IMZVADIYFSRRNX-OPRDCNLKSA-N 1 0 193.294 2.646 50 0 AFAARO Cc1cc(C[NH3+])c(Cl)cc1Cl 263624049 351892328 /nfs/dbraw/zinc/89/23/28/351892328.db2.gz MZBXRCFCJOAUKL-UHFFFAOYSA-N 1 0 190.073 2.761 50 0 AFAARO CC(C)[C@@H]1[NH2+]CC12CCCCC2 299805648 351892691 /nfs/dbraw/zinc/89/26/91/351892691.db2.gz ZKZGFGJXRDBFRR-JTQLQIEISA-N 1 0 167.296 2.565 50 0 AFAARO CC(C)[C@H]1[NH2+]CC12CCCCC2 299805649 351892706 /nfs/dbraw/zinc/89/27/06/351892706.db2.gz ZKZGFGJXRDBFRR-SNVBAGLBSA-N 1 0 167.296 2.565 50 0 AFAARO c1ccc([C@@H]2C[NH2+]CC23CCC3)cc1 307162777 351991327 /nfs/dbraw/zinc/99/13/27/351991327.db2.gz YNPSPQNUPOBTPH-LBPRGKRZSA-N 1 0 187.286 2.544 50 0 AFAARO c1ccc([C@H]2C[NH2+]CC23CCC3)cc1 307162776 351991347 /nfs/dbraw/zinc/99/13/47/351991347.db2.gz YNPSPQNUPOBTPH-GFCCVEGCSA-N 1 0 187.286 2.544 50 0 AFAARO C[C@H]([NH2+]Cc1ccccc1)[C@@H]1C[C@H]1C 307462490 352014759 /nfs/dbraw/zinc/01/47/59/352014759.db2.gz JVXHKAJOUIRREW-NTZNESFSSA-N 1 0 189.302 2.821 50 0 AFAARO C[C@H]1CCC[N@@H+]1C1=CCCCC1 3070183 371617034 /nfs/dbraw/zinc/61/70/34/371617034.db2.gz BHPIFKGSQOHIII-JTQLQIEISA-N 1 0 165.280 2.929 50 0 AFAARO C[C@@H]1CCC[N@@H+]1C1=CCCCC1 3070184 371617234 /nfs/dbraw/zinc/61/72/34/371617234.db2.gz BHPIFKGSQOHIII-SNVBAGLBSA-N 1 0 165.280 2.929 50 0 AFAARO CC(C)C[NH2+]Cc1ccc(F)cc1 5817289 371619495 /nfs/dbraw/zinc/61/94/95/371619495.db2.gz SOUYVJATMXDMQK-UHFFFAOYSA-N 1 0 181.254 2.571 50 0 AFAARO CC(C)CC[NH2+]Cc1ccccc1 5962630 371620693 /nfs/dbraw/zinc/62/06/93/371620693.db2.gz ADSCFYDXGXZBAN-UHFFFAOYSA-N 1 0 177.291 2.822 50 0 AFAARO Cc1ccccc1C[NH2+]C(C)(C)C 16362668 371622220 /nfs/dbraw/zinc/62/22/20/371622220.db2.gz XOESZVXQYPGYFT-UHFFFAOYSA-N 1 0 177.291 2.883 50 0 AFAARO CC[C@@H](C)[NH2+]C(C)(C)C(C)C 17498892 371624390 /nfs/dbraw/zinc/62/43/90/371624390.db2.gz OIFXKQQPEJXDBP-SECBINFHSA-N 1 0 157.301 2.809 50 0 AFAARO CC[C@H](C)[NH2+]C(C)(C)C(C)C 17498894 371624472 /nfs/dbraw/zinc/62/44/72/371624472.db2.gz OIFXKQQPEJXDBP-VIFPVBQESA-N 1 0 157.301 2.809 50 0 AFAARO CC(C)([NH3+])c1ccccc1Cl 19682477 371628939 /nfs/dbraw/zinc/62/89/39/371628939.db2.gz VCYQGFYYGDQOIJ-UHFFFAOYSA-N 1 0 169.655 2.534 50 0 in-vitro AFAARO C#[N+]c1c(C)cccc1C 59448451 371637619 /nfs/dbraw/zinc/63/76/19/371637619.db2.gz DNJLFZHMJDSJFN-UHFFFAOYSA-N 1 0 131.178 2.854 50 0 in-vitro AFAARO c1ccc(-c2cc3c(o2)CC[NH2+]C3)cc1 75601302 371649221 /nfs/dbraw/zinc/64/92/21/371649221.db2.gz GNEAGHCUKNVKGL-UHFFFAOYSA-N 1 0 199.253 2.592 50 0 AFAARO CCCCCCn1ccc(=[NH2+])cc1 1835643 375285586 /nfs/dbraw/zinc/28/55/86/375285586.db2.gz OFPNKGMYFSJLJY-UHFFFAOYSA-N 1 0 178.279 2.548 50 0 in-vitro AFAARO CC1=[NH+]C(C)(C)Cc2ccccc21 1808707 375285746 /nfs/dbraw/zinc/28/57/46/375285746.db2.gz HFNOAVXTUXLYNM-UHFFFAOYSA-N 1 0 173.259 2.830 50 0 AFAARO c1ccc2c(c1)CC[NH2+][C@@H]2C1CCC1 35882001 375295905 /nfs/dbraw/zinc/29/59/05/375295905.db2.gz BZKHQILNYWQRIO-CYBMUJFWSA-N 1 0 187.286 2.674 50 0 AFAARO c1ccc2c(c1)CC[NH2+][C@H]2C1CCC1 35882002 375295945 /nfs/dbraw/zinc/29/59/45/375295945.db2.gz BZKHQILNYWQRIO-ZDUSSCGKSA-N 1 0 187.286 2.674 50 0 AFAARO [NH3+][C@H]1CCc2cccc3cccc1c23 39074737 375297590 /nfs/dbraw/zinc/29/75/90/375297590.db2.gz PJYIGONWNQJLJK-LBPRGKRZSA-N 1 0 183.254 2.786 50 0 AFAARO c1ccc(SC[C@@H]2CCC[NH2+]2)cc1 39075034 375297698 /nfs/dbraw/zinc/29/76/98/375297698.db2.gz PHVDMEQASCADMJ-JTQLQIEISA-N 1 0 193.315 2.531 50 0 AFAARO [NH3+][C@@H]1CCc2cccc3cccc1c23 39074738 375297708 /nfs/dbraw/zinc/29/77/08/375297708.db2.gz PJYIGONWNQJLJK-GFCCVEGCSA-N 1 0 183.254 2.786 50 0 AFAARO [NH3+][C@@H](CC(F)(F)F)c1ccsc1 78677306 375349906 /nfs/dbraw/zinc/34/99/06/375349906.db2.gz LLBIWSVARQOCCY-LURJTMIESA-N 1 0 195.209 2.700 50 0 AFAARO CC(C)CC[C@H]1CCC[C@@H]1[NH3+] 42397761 572012191 /nfs/dbraw/zinc/01/21/91/572012191.db2.gz RXSOQOARVNFVCY-ZJUUUORDSA-N 1 0 155.285 2.550 50 0 in-vitro AFAARO C[C@@H]([NH3+])c1cccc(C(F)F)c1 104527963 572996297 /nfs/dbraw/zinc/99/62/97/572996297.db2.gz FJDSZADRDSXBSE-ZCFIWIBFSA-N 1 0 171.190 2.644 50 0 AFAARO CC1(C)CCC[C@H](C[NH3+])CC1 83435156 573500345 /nfs/dbraw/zinc/50/03/45/573500345.db2.gz MEFATOUBIOJTIQ-VIFPVBQESA-N 1 0 155.285 2.552 50 0 AFAARO CC(C)c1ccc2c(c1)[C@@H]([NH3+])CC2 19727490 517486640 /nfs/dbraw/zinc/48/66/40/517486640.db2.gz RMJKUZYESJIKTQ-LBPRGKRZSA-N 1 0 175.275 2.756 50 0 AFAARO CC(C)(C)C1CC([NH2+]C2CC2)C1 87439911 518601726 /nfs/dbraw/zinc/60/17/26/518601726.db2.gz GMMNJJCPCNALQM-UHFFFAOYSA-N 1 0 167.296 2.563 50 0 AFAARO CC(C)[C@]1(CC[NH3+])CCOC(C)(C)C1 4435143 519830234 /nfs/dbraw/zinc/83/02/34/519830234.db2.gz MOPYYUIMYCVIDR-GFCCVEGCSA-N 1 0 199.338 2.567 50 0 AFAARO CC1(C)C[NH2+][C@@H](c2ccccc2)C1 83963782 520498661 /nfs/dbraw/zinc/49/86/61/520498661.db2.gz ZGBMJAZQZIZYTI-LLVKDONJSA-N 1 0 175.275 2.747 50 0 AFAARO CC1(C)C[NH2+][C@H](c2ccccc2)C1 83963783 520500112 /nfs/dbraw/zinc/50/01/12/520500112.db2.gz ZGBMJAZQZIZYTI-NSHDSACASA-N 1 0 175.275 2.747 50 0 AFAARO FCCC[NH+]1CCCCCCC1 306565411 629663312 /nfs/dbraw/zinc/66/33/12/629663312.db2.gz YFKTWGHVBHTEPZ-UHFFFAOYSA-N 1 0 173.275 2.612 50 0 AFAARO FCC[N@@H+]1CCC2(CCCCC2)C1 306695046 629675977 /nfs/dbraw/zinc/67/59/77/629675977.db2.gz VOPNDZUTDLVYPI-UHFFFAOYSA-N 1 0 185.286 2.612 50 0 AFAARO CC(C)C[NH2+][C@@H]1CCCc2[nH]ccc21 306346327 629818074 /nfs/dbraw/zinc/81/80/74/629818074.db2.gz FPGFPFQCZGPLBQ-GFCCVEGCSA-N 1 0 192.306 2.638 50 0 AFAARO C[C@H]1C[C@H](C2CCCCC2)CC[NH2+]1 82874579 630047441 /nfs/dbraw/zinc/04/74/41/630047441.db2.gz FOGCBNIZVNDKET-CMPLNLGQSA-N 1 0 181.323 2.955 50 0 AFAARO CCC[C@@H]([NH3+])C1(O)CCCCCCC1 958528651 630063106 /nfs/dbraw/zinc/06/31/06/630063106.db2.gz RSMIYBNMKCGGKQ-LLVKDONJSA-N 1 0 199.338 2.589 50 0 AFAARO CCC[C@H]([NH3+])C1(O)CCCCCCC1 958528652 630063766 /nfs/dbraw/zinc/06/37/66/630063766.db2.gz RSMIYBNMKCGGKQ-NSHDSACASA-N 1 0 199.338 2.589 50 0 AFAARO Cc1ccc(C[NH+]2CCCCC2)cc1 4434915 524443149 /nfs/dbraw/zinc/44/31/49/524443149.db2.gz JSGULDBTVVNANL-UHFFFAOYSA-N 1 0 189.302 2.981 50 0 AFAARO C[C@@H]1CC[C@@H](C2CCCCC2)C[NH2+]1 77269286 631154996 /nfs/dbraw/zinc/15/49/96/631154996.db2.gz HDUZBSCEYSBRJD-ZYHUDNBSSA-N 1 0 181.323 2.955 50 0 AFAARO C[C@@H]1CC[C@H](C2CCCCC2)C[NH2+]1 77269268 631155002 /nfs/dbraw/zinc/15/50/02/631155002.db2.gz HDUZBSCEYSBRJD-PWSUYJOCSA-N 1 0 181.323 2.955 50 0 AFAARO C[C@H]1CC[C@H](C2CCCCC2)C[NH2+]1 77269280 631155105 /nfs/dbraw/zinc/15/51/05/631155105.db2.gz HDUZBSCEYSBRJD-JQWIXIFHSA-N 1 0 181.323 2.955 50 0 AFAARO C[C@H]1CC[C@@H](C2CCCCC2)C[NH2+]1 77269288 631155099 /nfs/dbraw/zinc/15/50/99/631155099.db2.gz HDUZBSCEYSBRJD-CMPLNLGQSA-N 1 0 181.323 2.955 50 0 AFAARO C[C@]1(Cc2ccc(F)cc2)CCC[NH2+]1 85698330 525276565 /nfs/dbraw/zinc/27/65/65/525276565.db2.gz RGMHMTZMDCMTJL-GFCCVEGCSA-N 1 0 193.265 2.510 50 0 AFAARO C[C@H]([NH2+]CC1CC1)c1ccccc1 4473806 525322712 /nfs/dbraw/zinc/32/27/12/525322712.db2.gz DBZLFDOJZXGGBF-JTQLQIEISA-N 1 0 175.275 2.747 50 0 in-vitro AFAARO C[NH+](C)CC12CC3CC(CC(C3)C1)C2 5748899 1224162365 /nfs/dbraw/zinc/16/23/65/1224162365.db2.gz MVYBXAPKYZVQTR-UHFFFAOYSA-N 1 0 193.334 2.764 50 0 AFAARO Cc1c(Cl)cc(Cl)cc1C[NH3+] 263623439 1224243318 /nfs/dbraw/zinc/24/33/18/1224243318.db2.gz HLWDPAGXTBNODX-UHFFFAOYSA-N 1 0 190.073 2.761 50 0 AFAARO Cc1cc(Cl)c(C[NH3+])c(Cl)c1 263623292 1224243410 /nfs/dbraw/zinc/24/34/10/1224243410.db2.gz GGQYGFCOFFGTER-UHFFFAOYSA-N 1 0 190.073 2.761 50 0 AFAARO C[C@@]1(Cc2cccc(F)c2)CCC[NH2+]1 85697710 525858518 /nfs/dbraw/zinc/85/85/18/525858518.db2.gz BTEJEOMPFZNDFK-LBPRGKRZSA-N 1 0 193.265 2.510 50 0 AFAARO c1cc([C@@H]2[NH2+]CC23CCC3)cs1 307060954 526436686 /nfs/dbraw/zinc/43/66/86/526436686.db2.gz KEQHFBXMNAFETQ-VIFPVBQESA-N 1 0 179.288 2.563 50 0 AFAARO c1cc([C@H]2[NH2+]CC23CCC3)cs1 307060953 526438483 /nfs/dbraw/zinc/43/84/83/526438483.db2.gz KEQHFBXMNAFETQ-SECBINFHSA-N 1 0 179.288 2.563 50 0 AFAARO [NH3+][C@H](C1CCCCC1)C1CCC1 83121636 527326919 /nfs/dbraw/zinc/32/69/19/527326919.db2.gz LOXLLFUOQXHVBF-LLVKDONJSA-N 1 0 167.296 2.694 50 0 AFAARO [NH3+][C@@H](C1CCCCC1)C1CCC1 83121635 527382396 /nfs/dbraw/zinc/38/23/96/527382396.db2.gz LOXLLFUOQXHVBF-NSHDSACASA-N 1 0 167.296 2.694 50 0 AFAARO [NH3+][C@H](CC(F)(F)F)c1ccsc1 78677302 527383572 /nfs/dbraw/zinc/38/35/72/527383572.db2.gz LLBIWSVARQOCCY-ZCFIWIBFSA-N 1 0 195.209 2.700 50 0 AFAARO C[NH2+][C@@H](C)Cc1cc2ccccc2o1 140475599 536345768 /nfs/dbraw/zinc/34/57/68/536345768.db2.gz ANJIDHKQUCZNQY-VIFPVBQESA-N 1 0 189.258 2.583 50 0 in-vitro AFAARO C[NH2+][C@H](C)Cc1cc2ccccc2o1 140475775 536405017 /nfs/dbraw/zinc/40/50/17/536405017.db2.gz ANJIDHKQUCZNQY-SECBINFHSA-N 1 0 189.258 2.583 50 0 in-vitro AFAARO C[C@H]1C[NH2+]Cc2c1oc1ccccc21 23379260 537786726 /nfs/dbraw/zinc/78/67/26/537786726.db2.gz XIQGIXNRHOALAD-QMMMGPOBSA-N 1 0 187.242 2.640 50 0 AFAARO C[C@@H]1C[NH2+]Cc2c1oc1ccccc21 23379259 537787724 /nfs/dbraw/zinc/78/77/24/537787724.db2.gz XIQGIXNRHOALAD-MRVPVSSYSA-N 1 0 187.242 2.640 50 0 AFAARO Cc1cc2c(CC[NH3+])csc2s1 685939341 537813302 /nfs/dbraw/zinc/81/33/02/537813302.db2.gz HAEGPZOWOCMXMR-UHFFFAOYSA-N 1 0 197.328 2.772 50 0 AFAARO CC1(C)CC[NH2+]C[C@@H]1c1ccccc1 82882127 537894955 /nfs/dbraw/zinc/89/49/55/537894955.db2.gz BOCJUWGFFDLICP-GFCCVEGCSA-N 1 0 189.302 2.790 50 0 AFAARO C[C@H]([NH3+])c1ccc(C(F)(F)F)s1 82895387 537896237 /nfs/dbraw/zinc/89/62/37/537896237.db2.gz LGPHUAZLZMPEML-BYPYZUCNSA-N 1 0 195.209 2.787 50 0 AFAARO CC(C)(C)[NH2+][C@@H]1CCCc2[nH]ccc21 725271543 537931458 /nfs/dbraw/zinc/93/14/58/537931458.db2.gz HIYIXHMBPOWMAY-LLVKDONJSA-N 1 0 192.306 2.780 50 0 AFAARO CC(C)(C)[NH2+][C@H]1CCCc2[nH]ccc21 725271546 537934302 /nfs/dbraw/zinc/93/43/02/537934302.db2.gz HIYIXHMBPOWMAY-NSHDSACASA-N 1 0 192.306 2.780 50 0 AFAARO CCCC[NH2+][C@@H]1CCCc2[nH]ccc21 725273181 537936666 /nfs/dbraw/zinc/93/66/66/537936666.db2.gz ZSNYXKWSAJOWIG-LLVKDONJSA-N 1 0 192.306 2.782 50 0 AFAARO CCCC[NH2+][C@H]1CCCc2[nH]ccc21 725273186 537936709 /nfs/dbraw/zinc/93/67/09/537936709.db2.gz ZSNYXKWSAJOWIG-NSHDSACASA-N 1 0 192.306 2.782 50 0 AFAARO C1=C(c2ccc3[nH]ccc3c2)CC[NH2+]C1 95401404 537941813 /nfs/dbraw/zinc/94/18/13/537941813.db2.gz UGMBIAPMJXMUOS-UHFFFAOYSA-N 1 0 198.269 2.545 50 0 AFAARO CCc1ccc2ccccc2c1C[NH3+] 148517978 538007355 /nfs/dbraw/zinc/00/73/55/538007355.db2.gz WMTOGUQJUMZUNO-UHFFFAOYSA-N 1 0 185.270 2.861 50 0 AFAARO CC1(C)C[C@@H](c2ccccc2)C[NH2+]1 258118464 538286443 /nfs/dbraw/zinc/28/64/43/538286443.db2.gz IFPNGAFTQDMZDA-LLVKDONJSA-N 1 0 175.275 2.542 50 0 AFAARO CC1(C)C[C@H](c2ccccc2)C[NH2+]1 258118467 538287832 /nfs/dbraw/zinc/28/78/32/538287832.db2.gz IFPNGAFTQDMZDA-NSHDSACASA-N 1 0 175.275 2.542 50 0 AFAARO c1ccc(C[N@@H+]2CCC[C@H]3C[C@H]32)cc1 306151443 538299620 /nfs/dbraw/zinc/29/96/20/538299620.db2.gz DDEYQFKTFZUCNW-QWHCGFSZSA-N 1 0 187.286 2.671 50 0 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