smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[N@@H+]1CCCc2cc(N)ccc21 19875175 534915221 /nfs/dbraw/zinc/91/52/21/534915221.db2.gz RJJQYPMKAQLCEY-UHFFFAOYSA-N 1 1 190.290 2.431 10 0 AEAEMO CCC[N@H+]1CCCc2cc(N)ccc21 19875175 534915224 /nfs/dbraw/zinc/91/52/24/534915224.db2.gz RJJQYPMKAQLCEY-UHFFFAOYSA-N 1 1 190.290 2.431 10 0 AEAEMO C[NH2+][C@@H]1C=C(C)c2ccccc2N1C 196565381 536354727 /nfs/dbraw/zinc/35/47/27/536354727.db2.gz HYCAJSUEHJYTQL-LBPRGKRZSA-N 1 1 188.274 2.085 10 0 AEAEMO CC[C@H](C)[NH2+]CCCN1CCCCC1 20128847 537782266 /nfs/dbraw/zinc/78/22/66/537782266.db2.gz HSQMNXPVQIZTBO-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CC[C@@H](C)[NH2+]CCCN1CCCCC1 20128846 537782557 /nfs/dbraw/zinc/78/25/57/537782557.db2.gz HSQMNXPVQIZTBO-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CC(C)C(=O)CCC[N@@H+](C)C1CC1 675074801 537789301 /nfs/dbraw/zinc/78/93/01/537789301.db2.gz ASODPNJCEBUWFQ-UHFFFAOYSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)C(=O)CCC[N@H+](C)C(C)C 675075292 537789731 /nfs/dbraw/zinc/78/97/31/537789731.db2.gz KUQAPNYCZVQGBS-UHFFFAOYSA-N 1 1 185.311 2.332 10 0 AEAEMO CCC[N@@H+](C)CCCC(=O)C(C)C 675074860 537790474 /nfs/dbraw/zinc/79/04/74/537790474.db2.gz CIGXHTFCODHEPN-UHFFFAOYSA-N 1 1 185.311 2.334 10 0 AEAEMO CCC[C@@H](C)[NH2+]C[C@@H]1CCN(CC)C1 37484168 537814448 /nfs/dbraw/zinc/81/44/48/537814448.db2.gz HISKCEKMFDWWPD-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)[NH2+]C[C@@H]1CCN(CC)C1 37484169 537814973 /nfs/dbraw/zinc/81/49/73/537814973.db2.gz HISKCEKMFDWWPD-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)[NH2+]C[C@H]1CCN(CC)C1 37484171 537815247 /nfs/dbraw/zinc/81/52/47/537815247.db2.gz HISKCEKMFDWWPD-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC(CC)[NH2+]C[C@H]1CCN(CC)C1 37484237 537815370 /nfs/dbraw/zinc/81/53/70/537815370.db2.gz RRVJLTPCTWPKDG-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC(CC)[NH2+]C[C@@H]1CCN(CC)C1 37484236 537817765 /nfs/dbraw/zinc/81/77/65/537817765.db2.gz RRVJLTPCTWPKDG-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](C)[NH2+]C[C@H]1CCN(CC)C1 37484170 537818140 /nfs/dbraw/zinc/81/81/40/537818140.db2.gz HISKCEKMFDWWPD-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)[NH2+]C[C@H](N)C1CCCCCC1 685947881 537822938 /nfs/dbraw/zinc/82/29/38/537822938.db2.gz SRFDULSYNMTQSY-LBPRGKRZSA-N 1 1 198.354 2.282 10 0 AEAEMO CC[C@H]1CCC[N@@H+]1C[C@H](N)CC(C)C 37914186 537822492 /nfs/dbraw/zinc/82/24/92/537822492.db2.gz XMGHAFVLVSXFHX-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]1CCC[N@H+]1C[C@H](N)CC(C)C 37914186 537822499 /nfs/dbraw/zinc/82/24/99/537822499.db2.gz XMGHAFVLVSXFHX-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[NH2+]C[C@@H](N)C1CCCCCC1 685947880 537823949 /nfs/dbraw/zinc/82/39/49/537823949.db2.gz SRFDULSYNMTQSY-GFCCVEGCSA-N 1 1 198.354 2.282 10 0 AEAEMO Cc1[nH]ncc1C[NH2+][C@@H](C)CC(C)C 37878792 537823974 /nfs/dbraw/zinc/82/39/74/537823974.db2.gz IKJMJWQFWNQDFI-VIFPVBQESA-N 1 1 195.310 2.242 10 0 AEAEMO Cc1[nH]ncc1C[NH2+][C@H](C)CC(C)C 37878793 537824416 /nfs/dbraw/zinc/82/44/16/537824416.db2.gz IKJMJWQFWNQDFI-SECBINFHSA-N 1 1 195.310 2.242 10 0 AEAEMO CC[C@@H]1CCC[N@@H+]1C[C@H](N)CC(C)C 37914185 537827066 /nfs/dbraw/zinc/82/70/66/537827066.db2.gz XMGHAFVLVSXFHX-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1C[C@H](N)CC(C)C 37914185 537827072 /nfs/dbraw/zinc/82/70/72/537827072.db2.gz XMGHAFVLVSXFHX-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[C@H]1[NH2+][C@H]1c1ccccc1 39103789 537834391 /nfs/dbraw/zinc/83/43/91/537834391.db2.gz FBPLCKGWKGGAQI-MNOVXSKESA-N 1 1 161.248 2.356 10 0 AEAEMO Cc1cc(-c2ccoc2)cc(N)[nH+]1 685950483 537828289 /nfs/dbraw/zinc/82/82/89/537828289.db2.gz RGGVQHVMJKGKPQ-UHFFFAOYSA-N 1 1 174.203 2.232 10 0 AEAEMO CC(C)[C@H]1[NH2+][C@@H]1c1ccccc1 39103758 537834435 /nfs/dbraw/zinc/83/44/35/537834435.db2.gz FBPLCKGWKGGAQI-GHMZBOCLSA-N 1 1 161.248 2.356 10 0 AEAEMO CC[N@H+]1CCC(=O)[C@@]12CCCC[C@@H]2C 685953580 537839072 /nfs/dbraw/zinc/83/90/72/537839072.db2.gz IRUSOEQNSLMUGW-JQWIXIFHSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[N@H+]1CCC(=O)[C@]12CCCC[C@@H]2C 685953577 537840948 /nfs/dbraw/zinc/84/09/48/537840948.db2.gz IRUSOEQNSLMUGW-CMPLNLGQSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[N@H+]1CCC(=O)[C@]12CCCC[C@H]2C 685953584 537841682 /nfs/dbraw/zinc/84/16/82/537841682.db2.gz IRUSOEQNSLMUGW-ZYHUDNBSSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[N@H+]1CCC(=O)[C@@]12CCCC[C@H]2C 685953581 537842045 /nfs/dbraw/zinc/84/20/45/537842045.db2.gz IRUSOEQNSLMUGW-PWSUYJOCSA-N 1 1 195.306 2.230 10 0 AEAEMO CC1CCC([N@H+](C)CC[C@H](C)O)CC1 44178080 537844285 /nfs/dbraw/zinc/84/42/85/537844285.db2.gz YLDOQOZZGQKGGM-CXQJBGSLSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[N@@H+](CC)C[C@H](O)C(C)(C)C 44130333 537844975 /nfs/dbraw/zinc/84/49/75/537844975.db2.gz ICAMVWWCLRYACC-JTQLQIEISA-N 1 1 187.327 2.125 10 0 AEAEMO CC1CCC([N@H+](C)CC[C@@H](C)O)CC1 44178077 537845565 /nfs/dbraw/zinc/84/55/65/537845565.db2.gz YLDOQOZZGQKGGM-MOENNCHZSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@H+]1CCC(=O)[C@@]12CCC[C@H](C)C2 685955407 537852178 /nfs/dbraw/zinc/85/21/78/537852178.db2.gz ZCEXEIAHZUHJEZ-JQWIXIFHSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC[N@@H+](CC)C[C@@H](O)C(C)(C)C 44130335 537849120 /nfs/dbraw/zinc/84/91/20/537849120.db2.gz ICAMVWWCLRYACC-SNVBAGLBSA-N 1 1 187.327 2.125 10 0 AEAEMO C[C@H]1C[C@H](C)CC2(C1)C(=O)CC[N@H+]2C 685955079 537851414 /nfs/dbraw/zinc/85/14/14/537851414.db2.gz SIUNZHZAXWDVOE-UWVGGRQHSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@H]1C[C@H](C)CC2(C1)C(=O)CC[N@@H+]2C 685955079 537851416 /nfs/dbraw/zinc/85/14/16/537851416.db2.gz SIUNZHZAXWDVOE-UWVGGRQHSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@@H]1CC[C@@H](C)[C@@]2(C1)C(=O)CC[N@@H+]2C 685955085 537851425 /nfs/dbraw/zinc/85/14/25/537851425.db2.gz SNIHUECLLCGOPB-FOGDFJRCSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@H]1CC[C@@H](C)C[C@@]12C(=O)CC[N@@H+]2C 685955087 537851470 /nfs/dbraw/zinc/85/14/70/537851470.db2.gz SNIHUECLLCGOPB-SCVCMEIPSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[N@H+]1CCC(=O)[C@@]12CCC[C@@H](C)C2 685955408 537851713 /nfs/dbraw/zinc/85/17/13/537851713.db2.gz ZCEXEIAHZUHJEZ-PWSUYJOCSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[N@H+]1CCC(=O)[C@]12CCC[C@@H](C)C2 685955409 537851847 /nfs/dbraw/zinc/85/18/47/537851847.db2.gz ZCEXEIAHZUHJEZ-ZYHUDNBSSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@@H]1C[C@@H](C)CC2(C1)C(=O)CC[N@H+]2C 685955078 537851897 /nfs/dbraw/zinc/85/18/97/537851897.db2.gz SIUNZHZAXWDVOE-NXEZZACHSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@@H]1C[C@@H](C)CC2(C1)C(=O)CC[N@@H+]2C 685955078 537851901 /nfs/dbraw/zinc/85/19/01/537851901.db2.gz SIUNZHZAXWDVOE-NXEZZACHSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@@H]1CC[C@@H](C)[C@]2(C1)C(=O)CC[N@@H+]2C 685955084 537851936 /nfs/dbraw/zinc/85/19/36/537851936.db2.gz SNIHUECLLCGOPB-CKYFFXLPSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[N@H+]1CCC(=O)[C@]12CCC[C@H](C)C2 685955404 537852247 /nfs/dbraw/zinc/85/22/47/537852247.db2.gz ZCEXEIAHZUHJEZ-CMPLNLGQSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@H]1CC[C@@H](C)C[C@]12C(=O)CC[N@@H+]2C 685955086 537852310 /nfs/dbraw/zinc/85/23/10/537852310.db2.gz SNIHUECLLCGOPB-JFGNBEQYSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@H]1C[C@@H](C)C[C@]2(C1)C(=O)CC[N@H+]2C 685955077 537853085 /nfs/dbraw/zinc/85/30/85/537853085.db2.gz SIUNZHZAXWDVOE-IAZYJMLFSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@H]1C[C@@H](C)C[C@]2(C1)C(=O)CC[N@@H+]2C 685955077 537853087 /nfs/dbraw/zinc/85/30/87/537853087.db2.gz SIUNZHZAXWDVOE-IAZYJMLFSA-N 1 1 195.306 2.086 10 0 AEAEMO CCC[NH2+]CC(F)(F)COC(C)C 685957529 537853820 /nfs/dbraw/zinc/85/38/20/537853820.db2.gz ABLJDXRRVFJURB-UHFFFAOYSA-N 1 1 195.253 2.046 10 0 AEAEMO CCC(C)(C)OCC(F)(F)C[NH2+]C 685956593 537854909 /nfs/dbraw/zinc/85/49/09/537854909.db2.gz GOWUZOKHVFEDPA-UHFFFAOYSA-N 1 1 195.253 2.046 10 0 AEAEMO CCCCCOCC(F)(F)C[NH2+]C 685956987 537855206 /nfs/dbraw/zinc/85/52/06/537855206.db2.gz OTDITYNHUZUYFM-UHFFFAOYSA-N 1 1 195.253 2.048 10 0 AEAEMO CCC[C@H](C)OCC(F)(F)C[NH2+]C 685956771 537855348 /nfs/dbraw/zinc/85/53/48/537855348.db2.gz JJVHFXRFHUBHAJ-QMMMGPOBSA-N 1 1 195.253 2.046 10 0 AEAEMO CCC[C@@H](C)OCC(F)(F)C[NH2+]C 685956770 537855735 /nfs/dbraw/zinc/85/57/35/537855735.db2.gz JJVHFXRFHUBHAJ-MRVPVSSYSA-N 1 1 195.253 2.046 10 0 AEAEMO CCC(CC)OCC(F)(F)C[NH2+]C 685957401 537855919 /nfs/dbraw/zinc/85/59/19/537855919.db2.gz XMDJCJYBWQJSHG-UHFFFAOYSA-N 1 1 195.253 2.046 10 0 AEAEMO CC[NH2+]CC(F)(F)COC(C)(C)C 685956550 537856553 /nfs/dbraw/zinc/85/65/53/537856553.db2.gz CNABBIJVYJBVBH-UHFFFAOYSA-N 1 1 195.253 2.046 10 0 AEAEMO CCCOCC(F)(F)C[NH2+]C(C)C 685956287 537856813 /nfs/dbraw/zinc/85/68/13/537856813.db2.gz QJMNOQYTZJUNDN-UHFFFAOYSA-N 1 1 195.253 2.046 10 0 AEAEMO CCCCC[N@H+]1CCC(=O)[C@H](C)C1 49693478 537856962 /nfs/dbraw/zinc/85/69/62/537856962.db2.gz DIOZPLIOFGJBMB-SNVBAGLBSA-N 1 1 183.295 2.088 10 0 AEAEMO CC[NH2+]CC(F)(F)CO[C@H](C)CC 685957708 537856965 /nfs/dbraw/zinc/85/69/65/537856965.db2.gz YPXGIVQTNSLRNP-MRVPVSSYSA-N 1 1 195.253 2.046 10 0 AEAEMO CC(C)[N@@H+](CCC[C@H](C)O)CC1CC1 45620544 537857120 /nfs/dbraw/zinc/85/71/20/537857120.db2.gz PGDKLSUILZIMFC-NSHDSACASA-N 1 1 199.338 2.268 10 0 AEAEMO CCCCC[N@H+]1CCC(=O)[C@@H](C)C1 49693479 537857422 /nfs/dbraw/zinc/85/74/22/537857422.db2.gz DIOZPLIOFGJBMB-JTQLQIEISA-N 1 1 183.295 2.088 10 0 AEAEMO CCCCOCC(F)(F)C[NH2+]CC 685957470 537857549 /nfs/dbraw/zinc/85/75/49/537857549.db2.gz SHABUKZFKXRYMS-UHFFFAOYSA-N 1 1 195.253 2.048 10 0 AEAEMO CC(C)[NH2+]CC(F)(F)COC(C)C 685956183 537857757 /nfs/dbraw/zinc/85/77/57/537857757.db2.gz NHZUIFLONYYRAC-UHFFFAOYSA-N 1 1 195.253 2.045 10 0 AEAEMO CC(C)[N@@H+](CCC[C@@H](C)O)CC1CC1 45620541 537857772 /nfs/dbraw/zinc/85/77/72/537857772.db2.gz PGDKLSUILZIMFC-LLVKDONJSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[NH2+]CC(F)(F)CO[C@@H](C)CC 685957709 537857783 /nfs/dbraw/zinc/85/77/83/537857783.db2.gz YPXGIVQTNSLRNP-QMMMGPOBSA-N 1 1 195.253 2.046 10 0 AEAEMO CCCC[N@@H+](CCC[C@@H](C)O)C1CC1 45620124 537857890 /nfs/dbraw/zinc/85/78/90/537857890.db2.gz DOLRXKUESGHDQS-LLVKDONJSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC[NH2+]CC(F)(F)COCCC 685958205 537860181 /nfs/dbraw/zinc/86/01/81/537860181.db2.gz UBDMRPOJBCPTJB-UHFFFAOYSA-N 1 1 195.253 2.048 10 0 AEAEMO CC[NH+](CC)C1(C(C)C)CCNCC1 685961139 537868580 /nfs/dbraw/zinc/86/85/80/537868580.db2.gz OOHRKDRANWWQRI-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[NH2+][C@@H]1C[C@H]2CCCCN2C1 725241888 537890931 /nfs/dbraw/zinc/89/09/31/537890931.db2.gz VKSWFQQBMZYAHO-VXGBXAGGSA-N 1 1 196.338 2.003 10 0 AEAEMO CCCC[NH2+][C@H]1C[C@H]2CCCCN2C1 725241886 537891382 /nfs/dbraw/zinc/89/13/82/537891382.db2.gz VKSWFQQBMZYAHO-NWDGAFQWSA-N 1 1 196.338 2.003 10 0 AEAEMO CCCC[NH2+][C@H]1C[C@@H]2CCCCN2C1 725241887 537893152 /nfs/dbraw/zinc/89/31/52/537893152.db2.gz VKSWFQQBMZYAHO-RYUDHWBXSA-N 1 1 196.338 2.003 10 0 AEAEMO CCCC[NH2+][C@@H]1C[C@@H]2CCCCN2C1 725241885 537893352 /nfs/dbraw/zinc/89/33/52/537893352.db2.gz VKSWFQQBMZYAHO-NEPJUHHUSA-N 1 1 196.338 2.003 10 0 AEAEMO Cc1ccc2oc(C3([NH3+])CC3)nc2c1 82880114 537895559 /nfs/dbraw/zinc/89/55/59/537895559.db2.gz LLMYXLQGJYUJSA-UHFFFAOYSA-N 1 1 188.230 2.084 10 0 AEAEMO CC(C)(C)CCCn1c[nH+]c(N)c1 725248572 537901092 /nfs/dbraw/zinc/90/10/92/537901092.db2.gz XMKMNBGCLKSBQS-UHFFFAOYSA-N 1 1 181.283 2.292 10 0 AEAEMO Nc1cn(CCC2CCCC2)c[nH+]1 725248530 537901677 /nfs/dbraw/zinc/90/16/77/537901677.db2.gz OBDWDDIWFBDYLH-UHFFFAOYSA-N 1 1 179.267 2.046 10 0 AEAEMO Nc1cn(CC2CCCCC2)c[nH+]1 725248730 537903207 /nfs/dbraw/zinc/90/32/07/537903207.db2.gz XZBVQESFZKSNDU-UHFFFAOYSA-N 1 1 179.267 2.046 10 0 AEAEMO CC1CCC(Cn2c[nH+]c(N)c2)CC1 725249064 537903578 /nfs/dbraw/zinc/90/35/78/537903578.db2.gz CFVHOHYQGNCRNB-UHFFFAOYSA-N 1 1 193.294 2.292 10 0 AEAEMO C[C@@H]1CCC[C@H](Cn2c[nH+]c(N)c2)C1 725249070 537904190 /nfs/dbraw/zinc/90/41/90/537904190.db2.gz CUTLHHSEFDIOFS-ZJUUUORDSA-N 1 1 193.294 2.292 10 0 AEAEMO Nc1cn(CCC2CCCCC2)c[nH+]1 725249170 537904458 /nfs/dbraw/zinc/90/44/58/537904458.db2.gz SUIZJGJJFMKXLG-UHFFFAOYSA-N 1 1 193.294 2.436 10 0 AEAEMO CC(C)C[C@H](C)Cn1c[nH+]c(N)c1 725249186 537904629 /nfs/dbraw/zinc/90/46/29/537904629.db2.gz WLTLMUUSWLEJGL-VIFPVBQESA-N 1 1 181.283 2.148 10 0 AEAEMO C[C@H]1CCC[C@@H](Cn2c[nH+]c(N)c2)C1 725249069 537904814 /nfs/dbraw/zinc/90/48/14/537904814.db2.gz CUTLHHSEFDIOFS-VHSXEESVSA-N 1 1 193.294 2.292 10 0 AEAEMO CC(C)C[C@@H](C)Cn1c[nH+]c(N)c1 725249185 537905037 /nfs/dbraw/zinc/90/50/37/537905037.db2.gz WLTLMUUSWLEJGL-SECBINFHSA-N 1 1 181.283 2.148 10 0 AEAEMO CCCCCCn1c[nH+]c(N)c1 725248921 537905539 /nfs/dbraw/zinc/90/55/39/537905539.db2.gz FKMKQTPRPDJOGX-UHFFFAOYSA-N 1 1 167.256 2.046 10 0 AEAEMO C[C@@H]1CCC[C@@H](Cn2c[nH+]c(N)c2)C1 725249067 537906462 /nfs/dbraw/zinc/90/64/62/537906462.db2.gz CUTLHHSEFDIOFS-NXEZZACHSA-N 1 1 193.294 2.292 10 0 AEAEMO C[C@H]1CCC[C@H](Cn2c[nH+]c(N)c2)C1 725249068 537906569 /nfs/dbraw/zinc/90/65/69/537906569.db2.gz CUTLHHSEFDIOFS-UWVGGRQHSA-N 1 1 193.294 2.292 10 0 AEAEMO Nc1cc[nH+]c2[nH]cc(C3CC3)c12 725259694 537924574 /nfs/dbraw/zinc/92/45/74/537924574.db2.gz HDFQDZPQAOJYHE-UHFFFAOYSA-N 1 1 173.219 2.023 10 0 AEAEMO CC(C)c1c[nH]c2[nH+]ccc(N)c12 725260231 537924924 /nfs/dbraw/zinc/92/49/24/537924924.db2.gz PPEAFKQQQKZONP-UHFFFAOYSA-N 1 1 175.235 2.269 10 0 AEAEMO c1ccc2c(-n3cccn3)cc[nH+]c2c1 95953714 537946180 /nfs/dbraw/zinc/94/61/80/537946180.db2.gz FODMQPNJGQKTLS-UHFFFAOYSA-N 1 1 195.225 2.421 10 0 AEAEMO C[N@@H+]1CCC(=O)C12CCC(C)(C)CC2 107185964 537957061 /nfs/dbraw/zinc/95/70/61/537957061.db2.gz IFWRMRVEMCOMKZ-UHFFFAOYSA-N 1 1 195.306 2.230 10 0 AEAEMO C[N@H+]1CCC(=O)C12CCC(C)(C)CC2 107185964 537957068 /nfs/dbraw/zinc/95/70/68/537957068.db2.gz IFWRMRVEMCOMKZ-UHFFFAOYSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@H]1CCC[N@@H+](C[C@@H](O)C(C)C)C1 142647039 537995191 /nfs/dbraw/zinc/99/51/91/537995191.db2.gz JQGQUILEIZSGOD-NWDGAFQWSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H]1CCC[N@@H+](C[C@@H](O)C(C)C)C1 142646859 537995410 /nfs/dbraw/zinc/99/54/10/537995410.db2.gz JQGQUILEIZSGOD-VXGBXAGGSA-N 1 1 199.338 2.125 10 0 AEAEMO c1ccc(C[N@H+]2CC[C@@H]3C[C@@H]32)cc1 145568886 537999742 /nfs/dbraw/zinc/99/97/42/537999742.db2.gz JNTXVUMGVWWTGR-NEPJUHHUSA-N 1 1 173.259 2.281 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCOC(C)(C)C1 145208549 538000211 /nfs/dbraw/zinc/00/02/11/538000211.db2.gz CLXZRGGVMUGECK-JTQLQIEISA-N 1 1 185.311 2.286 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCOC(C)(C)C1 145208343 538001342 /nfs/dbraw/zinc/00/13/42/538001342.db2.gz CLXZRGGVMUGECK-SNVBAGLBSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[N@@H+](C)CCCC(C)C 147234200 538004415 /nfs/dbraw/zinc/00/44/15/538004415.db2.gz IBIZMOJVQCIOHO-UHFFFAOYSA-N 1 1 143.274 2.374 10 0 AEAEMO CC[N@@H+](C)CCOCc1ccccc1 148042807 538004535 /nfs/dbraw/zinc/00/45/35/538004535.db2.gz BFEKOCWIQVYZRZ-UHFFFAOYSA-N 1 1 193.290 2.155 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)CC 147163168 538004605 /nfs/dbraw/zinc/00/46/05/538004605.db2.gz XHEKGDVTYCPZLB-SECBINFHSA-N 1 1 143.274 2.374 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)CC 147163342 538005867 /nfs/dbraw/zinc/00/58/67/538005867.db2.gz XHEKGDVTYCPZLB-VIFPVBQESA-N 1 1 143.274 2.374 10 0 AEAEMO CCCN(CCC)[C@H]1CCC[NH2+][C@H]1C 160568907 538044044 /nfs/dbraw/zinc/04/40/44/538044044.db2.gz QHMLEKRMTGINJG-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCN(CCC)[C@H]1CCC[NH2+][C@@H]1C 160568663 538044990 /nfs/dbraw/zinc/04/49/90/538044990.db2.gz QHMLEKRMTGINJG-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCN(CCC)[C@@H]1CCC[NH2+][C@H]1C 160568783 538045169 /nfs/dbraw/zinc/04/51/69/538045169.db2.gz QHMLEKRMTGINJG-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCN(CCC)[C@@H]1CCC[NH2+][C@@H]1C 160568524 538046248 /nfs/dbraw/zinc/04/62/48/538046248.db2.gz QHMLEKRMTGINJG-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)CC[C@@H](C)O 162504350 538072536 /nfs/dbraw/zinc/07/25/36/538072536.db2.gz CVCCPWPRCNFLKA-WDEREUQCSA-N 1 1 187.327 2.125 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)CC[C@@H](C)O 162504232 538072660 /nfs/dbraw/zinc/07/26/60/538072660.db2.gz CVCCPWPRCNFLKA-GHMZBOCLSA-N 1 1 187.327 2.125 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](CC)CCCO 162506208 538072697 /nfs/dbraw/zinc/07/26/97/538072697.db2.gz GJASEAJUFYDDJT-LLVKDONJSA-N 1 1 187.327 2.127 10 0 AEAEMO CCC[C@H](C)C[N@@H+](CC)CCCO 162506310 538073768 /nfs/dbraw/zinc/07/37/68/538073768.db2.gz GJASEAJUFYDDJT-NSHDSACASA-N 1 1 187.327 2.127 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCC[C@@](C)(O)C1 162505094 538073977 /nfs/dbraw/zinc/07/39/77/538073977.db2.gz SVMZUXVTJIOUKO-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCC[C@@](C)(O)C1 162505222 538074532 /nfs/dbraw/zinc/07/45/32/538074532.db2.gz SVMZUXVTJIOUKO-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC(CC)C[N@H+]1CC[C@H](CCO)C1 163040367 538077075 /nfs/dbraw/zinc/07/70/75/538077075.db2.gz IIXZLEBBJRSDEA-GFCCVEGCSA-N 1 1 199.338 2.127 10 0 AEAEMO CCC(CC)C[N@H+]1CC[C@@H](CCO)C1 163040467 538079316 /nfs/dbraw/zinc/07/93/16/538079316.db2.gz IIXZLEBBJRSDEA-LBPRGKRZSA-N 1 1 199.338 2.127 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CC[C@H](CCO)C1 163185203 538080920 /nfs/dbraw/zinc/08/09/20/538080920.db2.gz OOFFZXUZXAPHNN-VXGBXAGGSA-N 1 1 199.338 2.127 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@H](CCO)C1 163185315 538081362 /nfs/dbraw/zinc/08/13/62/538081362.db2.gz OOFFZXUZXAPHNN-NWDGAFQWSA-N 1 1 199.338 2.127 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC[C@@H]1C[C@@H](C)O 164046350 538135714 /nfs/dbraw/zinc/13/57/14/538135714.db2.gz ASSHLYHUOBQLNR-HBNTYKKESA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@H]([NH2+]Cc1c[nH]cn1)C(C)(C)C 163912946 538136544 /nfs/dbraw/zinc/13/65/44/538136544.db2.gz NNZAWYFKEYQSEA-JTQLQIEISA-N 1 1 195.310 2.324 10 0 AEAEMO CCC[C@H]1CCCC[N@H+]1C[C@@H](C)CO 164578400 538144564 /nfs/dbraw/zinc/14/45/64/538144564.db2.gz CCIRNVIQMSQSAZ-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@@H]1CCCC[N@H+]1C[C@@H](C)CO 164578302 538145190 /nfs/dbraw/zinc/14/51/90/538145190.db2.gz CCIRNVIQMSQSAZ-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@H](O)[C@H](C)C1 164641645 538147003 /nfs/dbraw/zinc/14/70/03/538147003.db2.gz UBMUCJGNWONEMP-TUAOUCFPSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[N@@H+](C)Cc1cccc(OC)c1 166013175 538157775 /nfs/dbraw/zinc/15/77/75/538157775.db2.gz GARYLUBUGIDGKY-UHFFFAOYSA-N 1 1 179.263 2.147 10 0 AEAEMO CC(C)[C@H]1CC[N@H+](CCC[C@@H](C)O)C1 166572909 538161089 /nfs/dbraw/zinc/16/10/89/538161089.db2.gz RGQHQVYRECCQOR-NEPJUHHUSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)[C@@H]1CC[N@H+](CCC[C@@H](C)O)C1 166572812 538162048 /nfs/dbraw/zinc/16/20/48/538162048.db2.gz RGQHQVYRECCQOR-VXGBXAGGSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H]1[C@H](C)C[C@@H](C)C[N@@H+]1CCCCO 166796137 538165222 /nfs/dbraw/zinc/16/52/22/538165222.db2.gz XSBYABXRAJIYDI-UTUOFQBUSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C)[C@@H]1C 166798750 538165684 /nfs/dbraw/zinc/16/56/84/538165684.db2.gz QATBKPHQRMVYKR-RHYQMDGZSA-N 1 1 199.338 2.124 10 0 AEAEMO CC[C@@H](O)C[N@H+]1C[C@H](C)C[C@H](C)[C@@H]1C 166798865 538165941 /nfs/dbraw/zinc/16/59/41/538165941.db2.gz QATBKPHQRMVYKR-NOOOWODRSA-N 1 1 199.338 2.124 10 0 AEAEMO C[C@H]1C[C@@H](C)C[N@H+](CCCCO)[C@H]1C 166795971 538166288 /nfs/dbraw/zinc/16/62/88/538166288.db2.gz XSBYABXRAJIYDI-WOPDTQHZSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)OCCC[N@H+]1CCC[C@@H]1C 166970148 538168085 /nfs/dbraw/zinc/16/80/85/538168085.db2.gz GBBRQRHCOJJWMK-NSHDSACASA-N 1 1 185.311 2.286 10 0 AEAEMO CC(C)OCCC[N@H+]1CCC[C@H]1C 166970369 538170906 /nfs/dbraw/zinc/17/09/06/538170906.db2.gz GBBRQRHCOJJWMK-LLVKDONJSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[N@@H+](C)[C@H](C)Cc1ccc(O)cc1 168978461 538180412 /nfs/dbraw/zinc/18/04/12/538180412.db2.gz OWKWEQLHZIPAPG-SNVBAGLBSA-N 1 1 193.290 2.275 10 0 AEAEMO CC[N@@H+](C)[C@@H](C)Cc1ccc(O)cc1 168978355 538180551 /nfs/dbraw/zinc/18/05/51/538180551.db2.gz OWKWEQLHZIPAPG-JTQLQIEISA-N 1 1 193.290 2.275 10 0 AEAEMO CSCCC[N@@H+](C)C(C)C 197949599 538182614 /nfs/dbraw/zinc/18/26/14/538182614.db2.gz CRAIMUXHXCKMNN-UHFFFAOYSA-N 1 1 161.314 2.080 10 0 AEAEMO CC[N@@H+](CC1CCC1)C[C@@](C)(O)CC 230327976 538207236 /nfs/dbraw/zinc/20/72/36/538207236.db2.gz CNBYWYNYIZVUOV-LBPRGKRZSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)[C@@H]1CC[N@H+](CCC[C@H](C)O)C1 230285272 538207411 /nfs/dbraw/zinc/20/74/11/538207411.db2.gz RGQHQVYRECCQOR-NWDGAFQWSA-N 1 1 199.338 2.125 10 0 AEAEMO CCc1[nH+]ccn1CCC(C)(C)OC 230402571 538208633 /nfs/dbraw/zinc/20/86/33/538208633.db2.gz LRLHTSOSQCPXLY-UHFFFAOYSA-N 1 1 196.294 2.261 10 0 AEAEMO CC[N@@H+](CC1CCC1)C[C@](C)(O)CC 230327979 538208872 /nfs/dbraw/zinc/20/88/72/538208872.db2.gz CNBYWYNYIZVUOV-GFCCVEGCSA-N 1 1 199.338 2.269 10 0 AEAEMO C/C=C/C[NH2+][C@@H](C)c1nccs1 230639508 538210715 /nfs/dbraw/zinc/21/07/15/538210715.db2.gz PDDHASYMVHXFPO-RTMURIBGSA-N 1 1 182.292 2.370 10 0 AEAEMO C/C=C/C[NH2+][C@H](C)c1nccs1 230639515 538210808 /nfs/dbraw/zinc/21/08/08/538210808.db2.gz PDDHASYMVHXFPO-MPJRPATESA-N 1 1 182.292 2.370 10 0 AEAEMO COC(C)(C)CCn1c[nH+]c(C)c1C 230415546 538211668 /nfs/dbraw/zinc/21/16/68/538211668.db2.gz SJRNXRGECXAABB-UHFFFAOYSA-N 1 1 196.294 2.315 10 0 AEAEMO COC(C)(C)CCn1cc[nH+]c1C 230416342 538212196 /nfs/dbraw/zinc/21/21/96/538212196.db2.gz URCMPPIZDFQFPO-UHFFFAOYSA-N 1 1 182.267 2.007 10 0 AEAEMO CCC[N@@H+](C)C[C@@H](O)CC1CCCC1 232142889 538223726 /nfs/dbraw/zinc/22/37/26/538223726.db2.gz ZRMYXSHWETYKQG-LBPRGKRZSA-N 1 1 199.338 2.269 10 0 AEAEMO C[N@@H+](C[C@@H](O)CC1CCCC1)C1CC1 232142843 538224238 /nfs/dbraw/zinc/22/42/38/538224238.db2.gz WTGOTONXFYYXSH-LBPRGKRZSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[N@@H+](C)C[C@H](O)CC1CCCC1 232142890 538225031 /nfs/dbraw/zinc/22/50/31/538225031.db2.gz ZRMYXSHWETYKQG-GFCCVEGCSA-N 1 1 199.338 2.269 10 0 AEAEMO C[N@@H+](C[C@H](O)CC1CCCC1)C1CC1 232142845 538225259 /nfs/dbraw/zinc/22/52/59/538225259.db2.gz WTGOTONXFYYXSH-GFCCVEGCSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@@](C)(C[NH3+])C1 233326338 538231172 /nfs/dbraw/zinc/23/11/72/538231172.db2.gz UNRJWZNEQDDRJX-RYUDHWBXSA-N 1 1 198.354 2.093 10 0 AEAEMO CCC[C@H](C)C[N@@H+]1CC[C@@](C)(CN)C1 233326338 538231175 /nfs/dbraw/zinc/23/11/75/538231175.db2.gz UNRJWZNEQDDRJX-RYUDHWBXSA-N 1 1 198.354 2.093 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@@](C)(CN)C1 233326338 538231182 /nfs/dbraw/zinc/23/11/82/538231182.db2.gz UNRJWZNEQDDRJX-RYUDHWBXSA-N 1 1 198.354 2.093 10 0 AEAEMO Cc1[nH+]cn(CCOCC(C)C)c1C 232913020 538231441 /nfs/dbraw/zinc/23/14/41/538231441.db2.gz FUSSJHTXHUSRLZ-UHFFFAOYSA-N 1 1 196.294 2.173 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CC[C@@](C)(C[NH3+])C1 233267569 538232652 /nfs/dbraw/zinc/23/26/52/538232652.db2.gz UNRJWZNEQDDRJX-NEPJUHHUSA-N 1 1 198.354 2.093 10 0 AEAEMO CCC[C@@H](C)C[N@@H+]1CC[C@@](C)(CN)C1 233267569 538232659 /nfs/dbraw/zinc/23/26/59/538232659.db2.gz UNRJWZNEQDDRJX-NEPJUHHUSA-N 1 1 198.354 2.093 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CC[C@@](C)(CN)C1 233267569 538232664 /nfs/dbraw/zinc/23/26/64/538232664.db2.gz UNRJWZNEQDDRJX-NEPJUHHUSA-N 1 1 198.354 2.093 10 0 AEAEMO CC(C)C[N@@H+](C)C[C@@H]1CCCC[C@H]1O 250589827 538257103 /nfs/dbraw/zinc/25/71/03/538257103.db2.gz JXAYPUMEQMGFKQ-NWDGAFQWSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)C[N@@H+](C)C[C@H]1CCCC[C@H]1O 250589830 538257470 /nfs/dbraw/zinc/25/74/70/538257470.db2.gz JXAYPUMEQMGFKQ-VXGBXAGGSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)C[C@H]1CCC[C@@H]1O 251266232 538259259 /nfs/dbraw/zinc/25/92/59/538259259.db2.gz DJNXOJGFLLAOER-TUAOUCFPSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)C[C@H]1CCC[C@H]1O 251265728 538259597 /nfs/dbraw/zinc/25/95/97/538259597.db2.gz DJNXOJGFLLAOER-QJPTWQEYSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)C[C@@H]1CCC[C@H]1O 251265735 538259765 /nfs/dbraw/zinc/25/97/65/538259765.db2.gz DJNXOJGFLLAOER-SDDRHHMPSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)C[C@@H]1CCC[C@H]1O 251317898 538261579 /nfs/dbraw/zinc/26/15/79/538261579.db2.gz LPCQDPADAUKFJH-SDDRHHMPSA-N 1 1 199.338 2.124 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)C[C@H]1CCC[C@H]1O 251317895 538262195 /nfs/dbraw/zinc/26/21/95/538262195.db2.gz LPCQDPADAUKFJH-QJPTWQEYSA-N 1 1 199.338 2.124 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)C[C@H]1CCC[C@@H]1O 251317901 538262437 /nfs/dbraw/zinc/26/24/37/538262437.db2.gz LPCQDPADAUKFJH-TUAOUCFPSA-N 1 1 199.338 2.124 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CCC[C@H]1CCCO 251721017 538263410 /nfs/dbraw/zinc/26/34/10/538263410.db2.gz DXIUZGDMWCRSOS-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO C[C@H](O)CCC[N@H+]1C[C@H](C)CC[C@H]1C 251928379 538263692 /nfs/dbraw/zinc/26/36/92/538263692.db2.gz VCNCCRNRKGWJRJ-UTUOFQBUSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H](O)CCC[N@H+]1C[C@H](C)CC[C@@H]1C 251928380 538264546 /nfs/dbraw/zinc/26/45/46/538264546.db2.gz VCNCCRNRKGWJRJ-WOPDTQHZSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCC[C@H]1CCCO 251721021 538264727 /nfs/dbraw/zinc/26/47/27/538264727.db2.gz DXIUZGDMWCRSOS-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H](C)[N@@H+](C)C[C@H]1CCCC[C@H]1O 251946544 538264877 /nfs/dbraw/zinc/26/48/77/538264877.db2.gz TVOJTPFTRMUTOU-QJPTWQEYSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](C)[N@@H+](C)C[C@@H]1CCCC[C@H]1O 251946545 538265160 /nfs/dbraw/zinc/26/51/60/538265160.db2.gz TVOJTPFTRMUTOU-SDDRHHMPSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H](O)CCC[N@H+]1C[C@@H](C)CC[C@H]1C 251928376 538265338 /nfs/dbraw/zinc/26/53/38/538265338.db2.gz VCNCCRNRKGWJRJ-TUAOUCFPSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](C)[N@@H+](C)C[C@H]1CCCC[C@@H]1O 251946546 538265556 /nfs/dbraw/zinc/26/55/56/538265556.db2.gz TVOJTPFTRMUTOU-TUAOUCFPSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H](O)CCC[N@H+]1CCC[C@H](C)CC1 252132493 538266490 /nfs/dbraw/zinc/26/64/90/538266490.db2.gz LAIAQQHNRUDOCC-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO C[C@H](O)CC[N@@H+](C)[C@H]1CCCC[C@H]1C 252110936 538266609 /nfs/dbraw/zinc/26/66/09/538266609.db2.gz HSVPJIBKGQEDGN-WOPDTQHZSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H](O)CC[N@@H+](C)[C@@H]1CCCC[C@H]1C 252110687 538267433 /nfs/dbraw/zinc/26/74/33/538267433.db2.gz HSVPJIBKGQEDGN-GRYCIOLGSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H](O)CCC[N@H+]1CCCCC[C@H]1C 252207035 538268005 /nfs/dbraw/zinc/26/80/05/538268005.db2.gz VIOGZXXYQWJGGU-NEPJUHHUSA-N 1 1 199.338 2.412 10 0 AEAEMO C[C@H](O)CC[N@@H+](C)[C@H]1CCCC[C@@H]1C 252110689 538268342 /nfs/dbraw/zinc/26/83/42/538268342.db2.gz HSVPJIBKGQEDGN-SRVKXCTJSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H]1CCC[N@@H+](C[C@H](C)CO)CC1 252728112 538274409 /nfs/dbraw/zinc/27/44/09/538274409.db2.gz ZELDZQIOINAOFD-NWDGAFQWSA-N 1 1 199.338 2.127 10 0 AEAEMO CC[C@H]1CCC[N@@H+](C[C@H](C)CO)CC1 252728113 538274590 /nfs/dbraw/zinc/27/45/90/538274590.db2.gz ZELDZQIOINAOFD-RYUDHWBXSA-N 1 1 199.338 2.127 10 0 AEAEMO CC[C@H]1CCCCC[N@H+]1C[C@H](C)CO 252727546 538274366 /nfs/dbraw/zinc/27/43/66/538274366.db2.gz IHEUQCUCPZHMDQ-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@H]1CCCCC[N@H+]1C[C@H](C)CO 252727545 538276192 /nfs/dbraw/zinc/27/61/92/538276192.db2.gz IHEUQCUCPZHMDQ-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)CC[C@H](C)O 252728786 538276509 /nfs/dbraw/zinc/27/65/09/538276509.db2.gz CVCCPWPRCNFLKA-MNOVXSKESA-N 1 1 187.327 2.125 10 0 AEAEMO C[C@H](CO)C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 252727116 538276544 /nfs/dbraw/zinc/27/65/44/538276544.db2.gz AGSADKZDAVNOKY-WOPDTQHZSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)CC[C@H](C)O 252728787 538276902 /nfs/dbraw/zinc/27/69/02/538276902.db2.gz CVCCPWPRCNFLKA-QWRGUYRKSA-N 1 1 187.327 2.125 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCC[C@](C)(O)C1 252732061 538278364 /nfs/dbraw/zinc/27/83/64/538278364.db2.gz SVMZUXVTJIOUKO-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCC[C@](C)(O)C1 252732062 538279182 /nfs/dbraw/zinc/27/91/82/538279182.db2.gz SVMZUXVTJIOUKO-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@@H]1C[C@H]1C 252764630 538280242 /nfs/dbraw/zinc/28/02/42/538280242.db2.gz IAYNCFHHXCHJIW-WEDXCCLWSA-N 1 1 193.294 2.025 10 0 AEAEMO CCC[C@H]1CCCC[N@H+]1C[C@H](C)CO 252803751 538280275 /nfs/dbraw/zinc/28/02/75/538280275.db2.gz CCIRNVIQMSQSAZ-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC[C@@H]1C[C@H](C)O 252804490 538281488 /nfs/dbraw/zinc/28/14/88/538281488.db2.gz ASSHLYHUOBQLNR-GARJFASQSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC[C@H]1C[C@@H](C)O 252804488 538281563 /nfs/dbraw/zinc/28/15/63/538281563.db2.gz ASSHLYHUOBQLNR-AXFHLTTASA-N 1 1 185.311 2.020 10 0 AEAEMO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H]1C[C@H]1C 252764628 538281704 /nfs/dbraw/zinc/28/17/04/538281704.db2.gz IAYNCFHHXCHJIW-KHQFGBGNSA-N 1 1 193.294 2.025 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@H]([C@H](C)O)C1 252776653 538281795 /nfs/dbraw/zinc/28/17/95/538281795.db2.gz OLMXPCDIKSPARM-SRVKXCTJSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@@H]([C@H](C)O)C1 252776652 538281806 /nfs/dbraw/zinc/28/18/06/538281806.db2.gz OLMXPCDIKSPARM-SDDRHHMPSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC[C@H]1C[C@H](C)O 252804489 538281834 /nfs/dbraw/zinc/28/18/34/538281834.db2.gz ASSHLYHUOBQLNR-DCAQKATOSA-N 1 1 185.311 2.020 10 0 AEAEMO CCC[C@@H]1CCCC[N@H+]1C[C@H](C)CO 252803750 538281913 /nfs/dbraw/zinc/28/19/13/538281913.db2.gz CCIRNVIQMSQSAZ-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@](C)(O)C[N@H+]1CCC[C@H](C)CC1 253312594 538282762 /nfs/dbraw/zinc/28/27/62/538282762.db2.gz WCGDYDKGBODFEH-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@H]1CCC[N@@H+](C[C@](C)(O)CC)C1 253214335 538282870 /nfs/dbraw/zinc/28/28/70/538282870.db2.gz CFYPRGPIVHBAQU-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H](O)C[N@H+]1C[C@H](C)C[C@@H](C)[C@H]1C 253100429 538283422 /nfs/dbraw/zinc/28/34/22/538283422.db2.gz QATBKPHQRMVYKR-KKOKHZNYSA-N 1 1 199.338 2.124 10 0 AEAEMO CC[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C)[C@H]1C 253100430 538283914 /nfs/dbraw/zinc/28/39/14/538283914.db2.gz QATBKPHQRMVYKR-KXNHARMFSA-N 1 1 199.338 2.124 10 0 AEAEMO C[C@H](CO)C[N@@H+](C)[C@H]1CCCC[C@@H]1C 253123964 538284289 /nfs/dbraw/zinc/28/42/89/538284289.db2.gz PCZSDKBSNDRPTH-SRVKXCTJSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)C[C@](C)(O)CC 253313552 538284369 /nfs/dbraw/zinc/28/43/69/538284369.db2.gz WYWCIKCDNOWPBQ-GHMZBOCLSA-N 1 1 187.327 2.125 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@@H](O)[C@H](C)C1 253310172 538284586 /nfs/dbraw/zinc/28/45/86/538284586.db2.gz UBMUCJGNWONEMP-QJPTWQEYSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H](CO)C[N@@H+](C)[C@@H]1CCCC[C@H]1C 253123963 538284594 /nfs/dbraw/zinc/28/45/94/538284594.db2.gz PCZSDKBSNDRPTH-QJPTWQEYSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@H](O)[C@@H](C)C1 253310173 538284663 /nfs/dbraw/zinc/28/46/63/538284663.db2.gz UBMUCJGNWONEMP-SRVKXCTJSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H]1CCC[N@@H+](C[C@](C)(O)CC)C1 253214334 538284681 /nfs/dbraw/zinc/28/46/81/538284681.db2.gz CFYPRGPIVHBAQU-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO C[C@H](CO)C[N@@H+](C)[C@H]1CCCC[C@H]1C 253123965 538284809 /nfs/dbraw/zinc/28/48/09/538284809.db2.gz PCZSDKBSNDRPTH-TUAOUCFPSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](O)C[N@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C 253100431 538284878 /nfs/dbraw/zinc/28/48/78/538284878.db2.gz QATBKPHQRMVYKR-WYUUTHIRSA-N 1 1 199.338 2.124 10 0 AEAEMO CC[C@](C)(O)C[N@H+]1CCC[C@H](C)CC1 253312595 538285123 /nfs/dbraw/zinc/28/51/23/538285123.db2.gz WCGDYDKGBODFEH-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)C[C@](C)(O)CC 253313553 538285371 /nfs/dbraw/zinc/28/53/71/538285371.db2.gz WYWCIKCDNOWPBQ-WDEREUQCSA-N 1 1 187.327 2.125 10 0 AEAEMO C[N@@H+](CCCCO)CCC1CCCC1 258888584 538286990 /nfs/dbraw/zinc/28/69/90/538286990.db2.gz CGWOXBXRMVDTNV-UHFFFAOYSA-N 1 1 199.338 2.271 10 0 AEAEMO CC(C)CCC[N@@H+](C)CCCCO 258873406 538287371 /nfs/dbraw/zinc/28/73/71/538287371.db2.gz AYLNJTHHZYMDMA-UHFFFAOYSA-N 1 1 187.327 2.127 10 0 AEAEMO C[N@@H+](CCCCO)CCC(C)(C)C 259053257 538290792 /nfs/dbraw/zinc/29/07/92/538290792.db2.gz QMYCXILYWDJKFO-UHFFFAOYSA-N 1 1 187.327 2.127 10 0 AEAEMO C[N@@H+](CCC(C)(C)C)CC1(CO)CC1 258966654 538291635 /nfs/dbraw/zinc/29/16/35/538291635.db2.gz SKGRHDKGWGCXQU-UHFFFAOYSA-N 1 1 199.338 2.127 10 0 AEAEMO CC(C)CCC[N@@H+](C)CC1(CO)CC1 258941514 538292131 /nfs/dbraw/zinc/29/21/31/538292131.db2.gz PSRGQGNGNNSZCB-UHFFFAOYSA-N 1 1 199.338 2.127 10 0 AEAEMO CC[C@@H]1CC[N@@H+](CC2(F)CC2)C1 306294075 538302095 /nfs/dbraw/zinc/30/20/95/538302095.db2.gz XPAHXNNPUFWPNY-SECBINFHSA-N 1 1 171.259 2.220 10 0 AEAEMO CC[C@H]1CC[N@@H+](CC2(F)CC2)C1 306294076 538302465 /nfs/dbraw/zinc/30/24/65/538302465.db2.gz XPAHXNNPUFWPNY-VIFPVBQESA-N 1 1 171.259 2.220 10 0 AEAEMO CCC[N@@H+](CC)C[C@H](C)COC 379311379 538337864 /nfs/dbraw/zinc/33/78/64/538337864.db2.gz LEFBLLZYOGLUNC-JTQLQIEISA-N 1 1 173.300 2.001 10 0 AEAEMO CCC[N@@H+](CC)C[C@@H](C)COC 379311380 538338370 /nfs/dbraw/zinc/33/83/70/538338370.db2.gz LEFBLLZYOGLUNC-SNVBAGLBSA-N 1 1 173.300 2.001 10 0 AEAEMO CC(C)CC[N@@H+](C)CC1(F)CC1 379323847 538343908 /nfs/dbraw/zinc/34/39/08/538343908.db2.gz UBMYKTRPGIWQEJ-UHFFFAOYSA-N 1 1 173.275 2.466 10 0 AEAEMO FCCC[N@H+]1CCC[C@@H]1C1CC1 379325152 538343962 /nfs/dbraw/zinc/34/39/62/538343962.db2.gz BARWOXODQJHRQF-SNVBAGLBSA-N 1 1 171.259 2.220 10 0 AEAEMO CCCC[N@H+]1CC[C@@H](C(F)F)C1 379322263 538344591 /nfs/dbraw/zinc/34/45/91/538344591.db2.gz HWQUGTIVGJGDBT-MRVPVSSYSA-N 1 1 177.238 2.374 10 0 AEAEMO C[N@@H+](CC(C)(C)C)CC1(F)CC1 379325204 538345236 /nfs/dbraw/zinc/34/52/36/538345236.db2.gz BGKGBCXNLWOBTM-UHFFFAOYSA-N 1 1 173.275 2.466 10 0 AEAEMO CC[N@@H+](C)Cc1sccc1OC 379320455 538345332 /nfs/dbraw/zinc/34/53/32/538345332.db2.gz WQDAJGGLFYTKDK-UHFFFAOYSA-N 1 1 185.292 2.208 10 0 AEAEMO CCCC[N@H+]1CC[C@H](C(F)F)C1 379322264 538345458 /nfs/dbraw/zinc/34/54/58/538345458.db2.gz HWQUGTIVGJGDBT-QMMMGPOBSA-N 1 1 177.238 2.374 10 0 AEAEMO FCCC[N@H+]1CCC[C@H]1C1CC1 379325151 538345900 /nfs/dbraw/zinc/34/59/00/538345900.db2.gz BARWOXODQJHRQF-JTQLQIEISA-N 1 1 171.259 2.220 10 0 AEAEMO CC[N@@H+](CC1(F)CC1)C1CCC1 379325539 538346563 /nfs/dbraw/zinc/34/65/63/538346563.db2.gz CTSVCZZBRQWFDJ-UHFFFAOYSA-N 1 1 171.259 2.363 10 0 AEAEMO CC[N@@H+](CC1CC1)CC1(F)CC1 379326715 538347604 /nfs/dbraw/zinc/34/76/04/538347604.db2.gz APYPDTGEGSUYPG-UHFFFAOYSA-N 1 1 171.259 2.220 10 0 AEAEMO CC[N@@H+](CC(C)C)CC1(F)CC1 379327784 538348521 /nfs/dbraw/zinc/34/85/21/538348521.db2.gz MKKGLSUOKLPDIQ-UHFFFAOYSA-N 1 1 173.275 2.466 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)CCOC 379334547 538354570 /nfs/dbraw/zinc/35/45/70/538354570.db2.gz PCPMHCAYRYQHEK-JTQLQIEISA-N 1 1 173.300 2.001 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)CCOC 379334548 538355367 /nfs/dbraw/zinc/35/53/67/538355367.db2.gz PCPMHCAYRYQHEK-SNVBAGLBSA-N 1 1 173.300 2.001 10 0 AEAEMO CCCC[C@H](C)[N@@H+](C)CC[C@H](C)O 379350654 538356400 /nfs/dbraw/zinc/35/64/00/538356400.db2.gz UNALMTKOMMRMRZ-QWRGUYRKSA-N 1 1 187.327 2.268 10 0 AEAEMO CCCC[C@@H](C)[N@@H+](C)CC[C@H](C)O 379350653 538356664 /nfs/dbraw/zinc/35/66/64/538356664.db2.gz UNALMTKOMMRMRZ-MNOVXSKESA-N 1 1 187.327 2.268 10 0 AEAEMO CCCC[C@@H](C)[N@@H+](C)CC[C@@H](C)O 379350652 538357155 /nfs/dbraw/zinc/35/71/55/538357155.db2.gz UNALMTKOMMRMRZ-GHMZBOCLSA-N 1 1 187.327 2.268 10 0 AEAEMO CCCC[C@H](C)[N@@H+](C)C[C@@H](C)CO 379344499 538357623 /nfs/dbraw/zinc/35/76/23/538357623.db2.gz AETZJXRDOGKFOU-MNOVXSKESA-N 1 1 187.327 2.125 10 0 AEAEMO CCCC[C@H](C)[N@@H+](C)C[C@H](C)CO 379344500 538357872 /nfs/dbraw/zinc/35/78/72/538357872.db2.gz AETZJXRDOGKFOU-QWRGUYRKSA-N 1 1 187.327 2.125 10 0 AEAEMO CCCC[C@@H](C)[N@@H+](C)C[C@H](C)CO 379344501 538357886 /nfs/dbraw/zinc/35/78/86/538357886.db2.gz AETZJXRDOGKFOU-WDEREUQCSA-N 1 1 187.327 2.125 10 0 AEAEMO FCCCC[N@H+]1CC[C@@H](C(F)F)C1 379352513 538357897 /nfs/dbraw/zinc/35/78/97/538357897.db2.gz BQBJYENBAZTMHK-MRVPVSSYSA-N 1 1 195.228 2.323 10 0 AEAEMO FCCCC[N@H+]1CC[C@H](C(F)F)C1 379352514 538358155 /nfs/dbraw/zinc/35/81/55/538358155.db2.gz BQBJYENBAZTMHK-QMMMGPOBSA-N 1 1 195.228 2.323 10 0 AEAEMO CCCC[C@@H](C)[N@@H+](C)C[C@@H](C)CO 379344498 538358556 /nfs/dbraw/zinc/35/85/56/538358556.db2.gz AETZJXRDOGKFOU-GHMZBOCLSA-N 1 1 187.327 2.125 10 0 AEAEMO CCCC[C@H](C)[N@@H+](C)CC[C@@H](C)O 379350655 538358650 /nfs/dbraw/zinc/35/86/50/538358650.db2.gz UNALMTKOMMRMRZ-WDEREUQCSA-N 1 1 187.327 2.268 10 0 AEAEMO CCC(C)(C)[N@@H+](C)Cc1cocn1 379357179 538359729 /nfs/dbraw/zinc/35/97/29/538359729.db2.gz QQELILQLYKGBMB-UHFFFAOYSA-N 1 1 182.267 2.295 10 0 AEAEMO CCC[N@@H+](CC)CCOCC(F)F 379355593 538360157 /nfs/dbraw/zinc/36/01/57/538360157.db2.gz AORZEDUPZKLADV-UHFFFAOYSA-N 1 1 195.253 2.000 10 0 AEAEMO CCCCC[N@@H+](C)C[C@H]1CCOC1 379355590 538360666 /nfs/dbraw/zinc/36/06/66/538360666.db2.gz AOORWQQVGRWNLD-LLVKDONJSA-N 1 1 185.311 2.145 10 0 AEAEMO CCCCC[N@@H+](C)C[C@@H]1CCOC1 379355591 538361477 /nfs/dbraw/zinc/36/14/77/538361477.db2.gz AOORWQQVGRWNLD-NSHDSACASA-N 1 1 185.311 2.145 10 0 AEAEMO CCCC[N@@H+](CCCF)CCOC 379362556 538363134 /nfs/dbraw/zinc/36/31/34/538363134.db2.gz HXBQSJXRIYXBAQ-UHFFFAOYSA-N 1 1 191.290 2.095 10 0 AEAEMO CCOCC[N@@H+](CC)CC1(C)CC1 379360601 538363544 /nfs/dbraw/zinc/36/35/44/538363544.db2.gz BIQVTXRCRMMUBW-UHFFFAOYSA-N 1 1 185.311 2.145 10 0 AEAEMO CCOCC[N@@H+](C)CC1(C)CCC1 379361584 538365219 /nfs/dbraw/zinc/36/52/19/538365219.db2.gz CTMYCIZLEPOSDG-UHFFFAOYSA-N 1 1 185.311 2.145 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)[C@H]1CCOC1 379363898 538366135 /nfs/dbraw/zinc/36/61/35/538366135.db2.gz LHWQUMXOYMOWFG-QWRGUYRKSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)[C@H]1CCOC1 379363897 538366298 /nfs/dbraw/zinc/36/62/98/538366298.db2.gz LHWQUMXOYMOWFG-MNOVXSKESA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)[C@@H]1CCOC1 379363896 538366774 /nfs/dbraw/zinc/36/67/74/538366774.db2.gz LHWQUMXOYMOWFG-GHMZBOCLSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)[C@@H]1CCOC1 379363899 538368350 /nfs/dbraw/zinc/36/83/50/538368350.db2.gz LHWQUMXOYMOWFG-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC(C)(C)[N@@H+](C)C[C@@H](C)COC 379378738 538369665 /nfs/dbraw/zinc/36/96/65/538369665.db2.gz AJGVNGQIFJAGOG-SNVBAGLBSA-N 1 1 187.327 2.389 10 0 AEAEMO CCC(C)(C)[N@@H+](C)C[C@H](C)COC 379378737 538370704 /nfs/dbraw/zinc/37/07/04/538370704.db2.gz AJGVNGQIFJAGOG-JTQLQIEISA-N 1 1 187.327 2.389 10 0 AEAEMO CO[C@H](C)C[N@@H+](CCCF)C(C)C 379378881 538372943 /nfs/dbraw/zinc/37/29/43/538372943.db2.gz AQVHLBRKGFSACK-SNVBAGLBSA-N 1 1 191.290 2.091 10 0 AEAEMO CO[C@@H](C)C[N@@H+](CCCF)C(C)C 379378880 538374566 /nfs/dbraw/zinc/37/45/66/538374566.db2.gz AQVHLBRKGFSACK-JTQLQIEISA-N 1 1 191.290 2.091 10 0 AEAEMO CC(C)OCCC[N@H+]1[C@@H](C)C[C@H]1C 379379482 538375026 /nfs/dbraw/zinc/37/50/26/538375026.db2.gz BBZNKQKXQYGHQO-PHIMTYICSA-N 1 1 185.311 2.284 10 0 AEAEMO COC[C@H](C)C[N@H+]1CCC(C)(C)C1 379387318 538382841 /nfs/dbraw/zinc/38/28/41/538382841.db2.gz HBIQRYLYFGCZMI-SNVBAGLBSA-N 1 1 185.311 2.001 10 0 AEAEMO CC(C)CC[N@H+](C)Cc1cocn1 379383606 538377898 /nfs/dbraw/zinc/37/78/98/538377898.db2.gz GIGKSAMABSXBAC-UHFFFAOYSA-N 1 1 182.267 2.153 10 0 AEAEMO CC(C)CC[N@@H+](C)Cc1cocn1 379383606 538377906 /nfs/dbraw/zinc/37/79/06/538377906.db2.gz GIGKSAMABSXBAC-UHFFFAOYSA-N 1 1 182.267 2.153 10 0 AEAEMO C[N@@H+](Cc1ccc[nH]1)CC1(C)CC1 379383355 538378039 /nfs/dbraw/zinc/37/80/39/538378039.db2.gz GDPREMURBTZYDT-UHFFFAOYSA-N 1 1 178.279 2.247 10 0 AEAEMO CCCC[N@@H+](C)[C@H]1CC[C@H](O)CC1 379385069 538378656 /nfs/dbraw/zinc/37/86/56/538378656.db2.gz RJQCAYQRFXZXNM-XYPYZODXSA-N 1 1 185.311 2.022 10 0 AEAEMO COC[C@@H](C)C[N@H+]1CCC(C)(C)C1 379387317 538381087 /nfs/dbraw/zinc/38/10/87/538381087.db2.gz HBIQRYLYFGCZMI-JTQLQIEISA-N 1 1 185.311 2.001 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1CCOC1CCC1 379393607 538385820 /nfs/dbraw/zinc/38/58/20/538385820.db2.gz VFHGKWFNWNNPLK-AOOOYVTPSA-N 1 1 183.295 2.038 10 0 AEAEMO CCCC[N@@H+](C)CCOCC(F)F 379396572 538388785 /nfs/dbraw/zinc/38/87/85/538388785.db2.gz IBNYDMUHRPTNMV-UHFFFAOYSA-N 1 1 195.253 2.000 10 0 AEAEMO CC[N@@H+](C[C@H](C)COC)C1CCC1 379396968 538389304 /nfs/dbraw/zinc/38/93/04/538389304.db2.gz LEVDVEMXJKRTEE-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO CC[N@@H+](C[C@@H](C)COC)C1CCC1 379396970 538389353 /nfs/dbraw/zinc/38/93/53/538389353.db2.gz LEVDVEMXJKRTEE-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO COCCCCC[N@H+]1CCC[C@H]1C 379399317 538389530 /nfs/dbraw/zinc/38/95/30/538389530.db2.gz GUFCHZXJGQDVAK-LLVKDONJSA-N 1 1 185.311 2.287 10 0 AEAEMO COCCCCC[N@H+]1CCC[C@@H]1C 379399318 538390003 /nfs/dbraw/zinc/39/00/03/538390003.db2.gz GUFCHZXJGQDVAK-NSHDSACASA-N 1 1 185.311 2.287 10 0 AEAEMO CCCC[N@@H+](CC)C[C@@H](C)COC 379398505 538390068 /nfs/dbraw/zinc/39/00/68/538390068.db2.gz FTBZOJLWPFFMKX-LLVKDONJSA-N 1 1 187.327 2.391 10 0 AEAEMO CCC[N@H+]1CCCCC[C@H]1CCO 379396716 538390078 /nfs/dbraw/zinc/39/00/78/538390078.db2.gz JAVRVYBPJBYPDI-NSHDSACASA-N 1 1 185.311 2.023 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)Cc1cocn1 379398874 538390354 /nfs/dbraw/zinc/39/03/54/538390354.db2.gz FXIVHULBAPIAMC-SECBINFHSA-N 1 1 182.267 2.151 10 0 AEAEMO CCC[N@H+]1CCCCC[C@@H]1CCO 379396713 538390440 /nfs/dbraw/zinc/39/04/40/538390440.db2.gz JAVRVYBPJBYPDI-LLVKDONJSA-N 1 1 185.311 2.023 10 0 AEAEMO COCCC[N@@H+](C)CCCCCF 379396357 538390643 /nfs/dbraw/zinc/39/06/43/538390643.db2.gz FZSGOVPUIBGJQQ-UHFFFAOYSA-N 1 1 191.290 2.095 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)Cc1cocn1 379398875 538390722 /nfs/dbraw/zinc/39/07/22/538390722.db2.gz FXIVHULBAPIAMC-VIFPVBQESA-N 1 1 182.267 2.151 10 0 AEAEMO CCCC[N@@H+](CC)C[C@H](C)COC 379398507 538391103 /nfs/dbraw/zinc/39/11/03/538391103.db2.gz FTBZOJLWPFFMKX-NSHDSACASA-N 1 1 187.327 2.391 10 0 AEAEMO COC[C@@H](C)C[N@@H+](C)[C@@H](C)C(C)C 379401673 538392676 /nfs/dbraw/zinc/39/26/76/538392676.db2.gz LFUKCOYHFYYHJE-QWRGUYRKSA-N 1 1 187.327 2.245 10 0 AEAEMO CO[C@H]1C[C@@H]([N@@H+](C)CCC(C)C)C1 379399366 538392798 /nfs/dbraw/zinc/39/27/98/538392798.db2.gz GXXORUMILHYLDX-PHIMTYICSA-N 1 1 185.311 2.142 10 0 AEAEMO COC[C@H](C)C[N@@H+](C)[C@H](C)C(C)C 379401671 538393085 /nfs/dbraw/zinc/39/30/85/538393085.db2.gz LFUKCOYHFYYHJE-GHMZBOCLSA-N 1 1 187.327 2.245 10 0 AEAEMO COC[C@@H](C)C[N@@H+](C(C)C)C1CC1 379399438 538393362 /nfs/dbraw/zinc/39/33/62/538393362.db2.gz GYTRTQOCDXPGHW-JTQLQIEISA-N 1 1 185.311 2.142 10 0 AEAEMO COC[C@@H](C)C[N@@H+](C)[C@H](C)C(C)C 379401674 538393436 /nfs/dbraw/zinc/39/34/36/538393436.db2.gz LFUKCOYHFYYHJE-WDEREUQCSA-N 1 1 187.327 2.245 10 0 AEAEMO COC[C@H](C)C[N@@H+](C(C)C)C1CC1 379399439 538393889 /nfs/dbraw/zinc/39/38/89/538393889.db2.gz GYTRTQOCDXPGHW-SNVBAGLBSA-N 1 1 185.311 2.142 10 0 AEAEMO COC[C@H](C)C[N@@H+](C)[C@@H](C)C(C)C 379401672 538394289 /nfs/dbraw/zinc/39/42/89/538394289.db2.gz LFUKCOYHFYYHJE-MNOVXSKESA-N 1 1 187.327 2.245 10 0 AEAEMO COC[C@@H](C)C[N@@H+](C)CC(C)(C)C 379406802 538401325 /nfs/dbraw/zinc/40/13/25/538401325.db2.gz XFQRATJXYLTXKC-JTQLQIEISA-N 1 1 187.327 2.247 10 0 AEAEMO COC[C@H](C)C[N@@H+](C)CC(C)(C)C 379406803 538402334 /nfs/dbraw/zinc/40/23/34/538402334.db2.gz XFQRATJXYLTXKC-SNVBAGLBSA-N 1 1 187.327 2.247 10 0 AEAEMO CC(C)OCCC[N@@H+](C)CCCF 379409168 538403544 /nfs/dbraw/zinc/40/35/44/538403544.db2.gz CGZBCKVWIUKMDY-UHFFFAOYSA-N 1 1 191.290 2.093 10 0 AEAEMO CCCCC[N@@H+](C)C1(COC)CC1 379410065 538404421 /nfs/dbraw/zinc/40/44/21/538404421.db2.gz FIMZLCKMCGSVGK-UHFFFAOYSA-N 1 1 185.311 2.287 10 0 AEAEMO CC(C)[N@H+](Cc1cocn1)C1CC1 379409422 538405209 /nfs/dbraw/zinc/40/52/09/538405209.db2.gz CWTSQMVKNRXSHH-UHFFFAOYSA-N 1 1 180.251 2.047 10 0 AEAEMO CC(C)[N@@H+](Cc1cocn1)C1CC1 379409422 538405212 /nfs/dbraw/zinc/40/52/12/538405212.db2.gz CWTSQMVKNRXSHH-UHFFFAOYSA-N 1 1 180.251 2.047 10 0 AEAEMO CCC[N@@H+](C)C[C@@H]1CCO[C@@H](C)C1 379412960 538406001 /nfs/dbraw/zinc/40/60/01/538406001.db2.gz LDQHLCLYKYHOMH-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[N@@H+](C)C[C@H]1CCO[C@@H](C)C1 379412959 538406242 /nfs/dbraw/zinc/40/62/42/538406242.db2.gz LDQHLCLYKYHOMH-QWRGUYRKSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[N@@H+](C)C[C@H]1CCO[C@H](C)C1 379412958 538407286 /nfs/dbraw/zinc/40/72/86/538407286.db2.gz LDQHLCLYKYHOMH-MNOVXSKESA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[N@@H+](C)C[C@@H]1CCO[C@H](C)C1 379412957 538407399 /nfs/dbraw/zinc/40/73/99/538407399.db2.gz LDQHLCLYKYHOMH-GHMZBOCLSA-N 1 1 185.311 2.143 10 0 AEAEMO CC/C=C/CC[N@@H+](C)CCCCO 379419198 538410472 /nfs/dbraw/zinc/41/04/72/538410472.db2.gz XOAJHTASZCYPJL-SNAWJCMRSA-N 1 1 185.311 2.047 10 0 AEAEMO CO[C@H](C)C[N@@H+](C)C1(C)CCCC1 379419852 538410685 /nfs/dbraw/zinc/41/06/85/538410685.db2.gz ZDGFGDVGDYGWTR-SNVBAGLBSA-N 1 1 185.311 2.286 10 0 AEAEMO CO[C@@H](C)C[N@@H+](C)C1(C)CCCC1 379419851 538411024 /nfs/dbraw/zinc/41/10/24/538411024.db2.gz ZDGFGDVGDYGWTR-JTQLQIEISA-N 1 1 185.311 2.286 10 0 AEAEMO CC/C=C\CC[N@@H+](C)CCCCO 379419197 538411185 /nfs/dbraw/zinc/41/11/85/538411185.db2.gz XOAJHTASZCYPJL-PLNGDYQASA-N 1 1 185.311 2.047 10 0 AEAEMO CCC(CC)[NH2+]Cc1ncccc1O 379570255 538415619 /nfs/dbraw/zinc/41/56/19/538415619.db2.gz CLEOFGNOKHDZSQ-UHFFFAOYSA-N 1 1 194.278 2.065 10 0 AEAEMO CCc1cccc(F)c1C[NH2+]CCF 379588570 538417538 /nfs/dbraw/zinc/41/75/38/538417538.db2.gz UGDOEMVHNVNREO-UHFFFAOYSA-N 1 1 199.244 2.447 10 0 AEAEMO Cc1c[nH]nc1C[NH2+]C[C@@H](C)C(C)C 379638889 538424744 /nfs/dbraw/zinc/42/47/44/538424744.db2.gz SUQUEYURLJFQKQ-SECBINFHSA-N 1 1 195.310 2.100 10 0 AEAEMO Cc1c[nH]nc1C[NH2+]C[C@H](C)C(C)C 379638890 538424936 /nfs/dbraw/zinc/42/49/36/538424936.db2.gz SUQUEYURLJFQKQ-VIFPVBQESA-N 1 1 195.310 2.100 10 0 AEAEMO CCC1([NH2+]Cc2n[nH]cc2C)CCC1 379653176 538426615 /nfs/dbraw/zinc/42/66/15/538426615.db2.gz HTIVEPQAPSGDGJ-UHFFFAOYSA-N 1 1 193.294 2.140 10 0 AEAEMO CC[N@@H+](C)CC1(OC)CCCCC1 381922809 538427615 /nfs/dbraw/zinc/42/76/15/538427615.db2.gz LZDDCXWWRKEVIN-UHFFFAOYSA-N 1 1 185.311 2.287 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCC[C@H](OC)C1 388269528 538430516 /nfs/dbraw/zinc/43/05/16/538430516.db2.gz GOLWCFYMNSONLQ-MNOVXSKESA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)CCCF 388143319 538429408 /nfs/dbraw/zinc/42/94/08/538429408.db2.gz FEJVDXGWAWWQLW-VIFPVBQESA-N 1 1 161.264 2.324 10 0 AEAEMO CCC[C@H](C)C[N@H+]1C[C@H](O)C(C)(C)C1 387863441 538429410 /nfs/dbraw/zinc/42/94/10/538429410.db2.gz MADWYHBBGQYTBT-QWRGUYRKSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[N@@H+](CCC1CC1)C[C@](C)(O)CC 385337123 538429041 /nfs/dbraw/zinc/42/90/41/538429041.db2.gz CUJLCBJHPVOKIK-GFCCVEGCSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[N@@H+](CCC[C@H](C)O)CCC1CC1 385340007 538429128 /nfs/dbraw/zinc/42/91/28/538429128.db2.gz GYLDHWDQONYZCR-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CC[N@@H+](CCC1CC1)C[C@@](C)(O)CC 385337124 538429155 /nfs/dbraw/zinc/42/91/55/538429155.db2.gz CUJLCBJHPVOKIK-LBPRGKRZSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[N@@H+](CCC[C@@H](C)O)CCC1CC1 385340004 538429178 /nfs/dbraw/zinc/42/91/78/538429178.db2.gz GYLDHWDQONYZCR-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1C[C@@H](O)C(C)(C)C1 387863439 538429263 /nfs/dbraw/zinc/42/92/63/538429263.db2.gz MADWYHBBGQYTBT-GHMZBOCLSA-N 1 1 199.338 2.125 10 0 AEAEMO C[N@@H+](CCCCF)CC1CC1 388070791 538429398 /nfs/dbraw/zinc/42/93/98/538429398.db2.gz CZDJDFLRHWLELW-UHFFFAOYSA-N 1 1 159.248 2.078 10 0 AEAEMO C/C=C\C[NH2+][C@@H](C)c1nccs1 388009575 538429449 /nfs/dbraw/zinc/42/94/49/538429449.db2.gz PDDHASYMVHXFPO-VEMNSZJBSA-N 1 1 182.292 2.370 10 0 AEAEMO CCC[C@H](C)C[N@H+]1C[C@@H](O)C(C)(C)C1 387863442 538429454 /nfs/dbraw/zinc/42/94/54/538429454.db2.gz MADWYHBBGQYTBT-WDEREUQCSA-N 1 1 199.338 2.125 10 0 AEAEMO C/C=C\C[NH2+][C@H](C)c1nccs1 388009572 538429484 /nfs/dbraw/zinc/42/94/84/538429484.db2.gz PDDHASYMVHXFPO-TUUFMJSCSA-N 1 1 182.292 2.370 10 0 AEAEMO CCC[N@@H+](CC)CC1(F)CC1 388106830 538429643 /nfs/dbraw/zinc/42/96/43/538429643.db2.gz XIKWBQFGJUTNEH-UHFFFAOYSA-N 1 1 159.248 2.220 10 0 AEAEMO CC(C)CC[N@@H+](C)CCCF 388150323 538429728 /nfs/dbraw/zinc/42/97/28/538429728.db2.gz LINVKHSVSZWPCI-UHFFFAOYSA-N 1 1 161.264 2.324 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)CCCF 388143102 538429763 /nfs/dbraw/zinc/42/97/63/538429763.db2.gz FEJVDXGWAWWQLW-SECBINFHSA-N 1 1 161.264 2.324 10 0 AEAEMO C[N@@H+](CCCF)CCC1CC1 388114003 538429765 /nfs/dbraw/zinc/42/97/65/538429765.db2.gz DZJDINKGOOZGEX-UHFFFAOYSA-N 1 1 159.248 2.078 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1C[C@H](O)C(C)(C)C1 387863440 538429871 /nfs/dbraw/zinc/42/98/71/538429871.db2.gz MADWYHBBGQYTBT-MNOVXSKESA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)CCOCC 388227702 538429982 /nfs/dbraw/zinc/42/99/82/538429982.db2.gz KZVVAGAPBNIYCC-LLVKDONJSA-N 1 1 187.327 2.391 10 0 AEAEMO CCC[C@H](C)C[N@@H+](CC)CCOC 388231910 538429985 /nfs/dbraw/zinc/42/99/85/538429985.db2.gz MTJKVTQPFIEXDF-NSHDSACASA-N 1 1 187.327 2.391 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)CCCCO 388203847 538429992 /nfs/dbraw/zinc/42/99/92/538429992.db2.gz CJHKZOHSSBUCRD-LLVKDONJSA-N 1 1 187.327 2.127 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)CCCCO 388203850 538430142 /nfs/dbraw/zinc/43/01/42/538430142.db2.gz CJHKZOHSSBUCRD-NSHDSACASA-N 1 1 187.327 2.127 10 0 AEAEMO CCC(CC)C[N@@H+](C)CCCCO 388236778 538430228 /nfs/dbraw/zinc/43/02/28/538430228.db2.gz OZAGDWZVJYVRPB-UHFFFAOYSA-N 1 1 187.327 2.127 10 0 AEAEMO CCOCC[N@@H+](C)CCCCCF 388262616 538430322 /nfs/dbraw/zinc/43/03/22/538430322.db2.gz BQOARWUXKOLWBL-UHFFFAOYSA-N 1 1 191.290 2.095 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCC[C@H](OC)C1 388269529 538430437 /nfs/dbraw/zinc/43/04/37/538430437.db2.gz GOLWCFYMNSONLQ-QWRGUYRKSA-N 1 1 185.311 2.286 10 0 AEAEMO CCC[N@H+](Cc1cocn1)C1CC1 388262368 538430450 /nfs/dbraw/zinc/43/04/50/538430450.db2.gz ARRPAECRWNDBAQ-UHFFFAOYSA-N 1 1 180.251 2.049 10 0 AEAEMO CCC[N@@H+](Cc1cocn1)C1CC1 388262368 538430451 /nfs/dbraw/zinc/43/04/51/538430451.db2.gz ARRPAECRWNDBAQ-UHFFFAOYSA-N 1 1 180.251 2.049 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)CCOCC 388227703 538430484 /nfs/dbraw/zinc/43/04/84/538430484.db2.gz KZVVAGAPBNIYCC-NSHDSACASA-N 1 1 187.327 2.391 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCC[C@@H](OC)C1 388269525 538430534 /nfs/dbraw/zinc/43/05/34/538430534.db2.gz GOLWCFYMNSONLQ-GHMZBOCLSA-N 1 1 185.311 2.286 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](CC)CCOC 388231909 538430554 /nfs/dbraw/zinc/43/05/54/538430554.db2.gz MTJKVTQPFIEXDF-LLVKDONJSA-N 1 1 187.327 2.391 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCC[C@@H](OC)C1 388269533 538430627 /nfs/dbraw/zinc/43/06/27/538430627.db2.gz GOLWCFYMNSONLQ-WDEREUQCSA-N 1 1 185.311 2.286 10 0 AEAEMO CCC[N@@H+](C)Cc1cncc(C)c1 388273764 538431175 /nfs/dbraw/zinc/43/11/75/538431175.db2.gz HULLHJFXNKWHJD-UHFFFAOYSA-N 1 1 178.279 2.232 10 0 AEAEMO CCOCC[N@@H+](CC)[C@H](C)CC 388390763 538431536 /nfs/dbraw/zinc/43/15/36/538431536.db2.gz BUTJSEGRPQQOFU-SNVBAGLBSA-N 1 1 173.300 2.143 10 0 AEAEMO CCOCC[N@@H+](CC)[C@@H](C)CC 388390762 538431872 /nfs/dbraw/zinc/43/18/72/538431872.db2.gz BUTJSEGRPQQOFU-JTQLQIEISA-N 1 1 173.300 2.143 10 0 AEAEMO CCC[N@@H+](CC1(F)CC1)C1CC1 388415046 538432094 /nfs/dbraw/zinc/43/20/94/538432094.db2.gz AQAZLLOEZRESIA-UHFFFAOYSA-N 1 1 171.259 2.363 10 0 AEAEMO C[N@@H+](CCC1CC1)CC1(F)CC1 388424301 538432166 /nfs/dbraw/zinc/43/21/66/538432166.db2.gz JKYQYRWFEANOAD-UHFFFAOYSA-N 1 1 171.259 2.220 10 0 AEAEMO C[C@@H]1CSCC[N@H+]1CCCCF 388463716 538432794 /nfs/dbraw/zinc/43/27/94/538432794.db2.gz HRALLCGNWYZUQR-SECBINFHSA-N 1 1 191.315 2.173 10 0 AEAEMO CC(C)[C@@H]1CC[N@@H+](CCCF)C1 388485231 538432812 /nfs/dbraw/zinc/43/28/12/538432812.db2.gz ZFOYCMCQMJJIOP-SNVBAGLBSA-N 1 1 173.275 2.324 10 0 AEAEMO C[C@H](C1CC1)[N@@H+](C)CC1(F)CC1 388490143 538432784 /nfs/dbraw/zinc/43/27/84/538432784.db2.gz GGUFHBDFTQELHD-MRVPVSSYSA-N 1 1 171.259 2.219 10 0 AEAEMO C[C@H]1CSCC[N@H+]1CCCCF 388463719 538433026 /nfs/dbraw/zinc/43/30/26/538433026.db2.gz HRALLCGNWYZUQR-VIFPVBQESA-N 1 1 191.315 2.173 10 0 AEAEMO C[C@@H](C1CC1)[N@@H+](C)CC1(F)CC1 388490144 538433059 /nfs/dbraw/zinc/43/30/59/538433059.db2.gz GGUFHBDFTQELHD-QMMMGPOBSA-N 1 1 171.259 2.219 10 0 AEAEMO C[C@@H]1C[C@@H]1C[N@@H+](C)Cc1ccc[nH]1 388579206 538433185 /nfs/dbraw/zinc/43/31/85/538433185.db2.gz CYYIACBIUREAIY-NXEZZACHSA-N 1 1 178.279 2.103 10 0 AEAEMO FCCCC[N@H+]1C[C@@H]2CCC[C@@H]21 388523846 538433191 /nfs/dbraw/zinc/43/31/91/538433191.db2.gz YPVMSNWYWUVKGX-UWVGGRQHSA-N 1 1 171.259 2.220 10 0 AEAEMO CC/C=C\CC[N@H+]1CCCOCC1 388595343 538434233 /nfs/dbraw/zinc/43/42/33/538434233.db2.gz CLIHKBGJONNGSF-ARJAWSKDSA-N 1 1 183.295 2.065 10 0 AEAEMO CC/C=C\CC[N@@H+](C)C[C@@H](C)OC 388615199 538434330 /nfs/dbraw/zinc/43/43/30/538434330.db2.gz CQXIKPANCNBOIU-JMEBYUIHSA-N 1 1 185.311 2.309 10 0 AEAEMO CC[C@H]1CC[N@@H+](C[C@@H](C)COC)C1 388608710 538434525 /nfs/dbraw/zinc/43/45/25/538434525.db2.gz WXDBVYJLBZCFGY-MNOVXSKESA-N 1 1 185.311 2.001 10 0 AEAEMO CC[C@@H]1CC[N@@H+](C[C@@H](C)COC)C1 388608709 538434527 /nfs/dbraw/zinc/43/45/27/538434527.db2.gz WXDBVYJLBZCFGY-GHMZBOCLSA-N 1 1 185.311 2.001 10 0 AEAEMO CC/C=C\CC[N@@H+](C)C[C@H](C)OC 388615216 538434562 /nfs/dbraw/zinc/43/45/62/538434562.db2.gz CQXIKPANCNBOIU-ZADCQDASSA-N 1 1 185.311 2.309 10 0 AEAEMO COC[C@H](C)C[N@H+]1CCCC1(C)C 388614103 538434578 /nfs/dbraw/zinc/43/45/78/538434578.db2.gz FBDKATGGLBFZOL-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@H]1CC[N@@H+](C[C@H](C)COC)C1 388608711 538434707 /nfs/dbraw/zinc/43/47/07/538434707.db2.gz WXDBVYJLBZCFGY-QWRGUYRKSA-N 1 1 185.311 2.001 10 0 AEAEMO COC[C@@H](C)C[N@H+]1CCCC1(C)C 388614100 538434764 /nfs/dbraw/zinc/43/47/64/538434764.db2.gz FBDKATGGLBFZOL-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO CC/C=C/CC[N@@H+](C)C[C@H](C)OC 388615200 538434796 /nfs/dbraw/zinc/43/47/96/538434796.db2.gz CQXIKPANCNBOIU-MLRMMBSGSA-N 1 1 185.311 2.309 10 0 AEAEMO CC[C@@H]1CC[N@@H+](C[C@H](C)COC)C1 388608712 538434827 /nfs/dbraw/zinc/43/48/27/538434827.db2.gz WXDBVYJLBZCFGY-WDEREUQCSA-N 1 1 185.311 2.001 10 0 AEAEMO CC/C=C/CC[N@@H+](C)C[C@@H](C)OC 388615206 538434846 /nfs/dbraw/zinc/43/48/46/538434846.db2.gz CQXIKPANCNBOIU-XUIVZRPNSA-N 1 1 185.311 2.309 10 0 AEAEMO CC[C@H](C)[N@@H+]1CC=C(COC)CC1 388629442 538434999 /nfs/dbraw/zinc/43/49/99/538434999.db2.gz IFLSXJQHRVNBOM-JTQLQIEISA-N 1 1 183.295 2.063 10 0 AEAEMO CO[C@H]1C[C@@H]([N@@H+](C)CC=C(C)C)C1 388628843 538435007 /nfs/dbraw/zinc/43/50/07/538435007.db2.gz HYTMVYCAPCVGED-PHIMTYICSA-N 1 1 183.295 2.062 10 0 AEAEMO CC[C@@H](C)[N@@H+]1CC=C(COC)CC1 388629443 538435019 /nfs/dbraw/zinc/43/50/19/538435019.db2.gz IFLSXJQHRVNBOM-SNVBAGLBSA-N 1 1 183.295 2.063 10 0 AEAEMO Cc1ccc(C[N@@H+](C)CCCF)o1 388620135 538435390 /nfs/dbraw/zinc/43/53/90/538435390.db2.gz GUTFCXMLOUWNDS-UHFFFAOYSA-N 1 1 185.242 2.379 10 0 AEAEMO CCOC1CC(C[N@@H+](C)C(C)C)C1 388688348 538436025 /nfs/dbraw/zinc/43/60/25/538436025.db2.gz KEVVXOAWTOKGIB-UHFFFAOYSA-N 1 1 185.311 2.142 10 0 AEAEMO C[C@H]1CCC[C@@H](C[N@@H+](C)CCCO)C1 388716908 538436510 /nfs/dbraw/zinc/43/65/10/538436510.db2.gz UEUPMXVISPTGBS-NWDGAFQWSA-N 1 1 199.338 2.127 10 0 AEAEMO C[C@H]1CCC[C@H](C[N@@H+](C)CCCO)C1 388716910 538436609 /nfs/dbraw/zinc/43/66/09/538436609.db2.gz UEUPMXVISPTGBS-RYUDHWBXSA-N 1 1 199.338 2.127 10 0 AEAEMO C[C@@H]1CCC[C@@H](C[N@@H+](C)CCCO)C1 388716911 538436734 /nfs/dbraw/zinc/43/67/34/538436734.db2.gz UEUPMXVISPTGBS-VXGBXAGGSA-N 1 1 199.338 2.127 10 0 AEAEMO C[C@@H]1CCC[C@H](C[N@@H+](C)CCCO)C1 388716905 538436775 /nfs/dbraw/zinc/43/67/75/538436775.db2.gz UEUPMXVISPTGBS-NEPJUHHUSA-N 1 1 199.338 2.127 10 0 AEAEMO CC[N@@H+](CC[C@@H]1CCCO1)C1CC1 388772258 538437392 /nfs/dbraw/zinc/43/73/92/538437392.db2.gz HEIRIIMOSOIQKE-NSHDSACASA-N 1 1 183.295 2.040 10 0 AEAEMO CC[N@@H+](CC[C@H]1CCCO1)C1CC1 388772257 538437455 /nfs/dbraw/zinc/43/74/55/538437455.db2.gz HEIRIIMOSOIQKE-LLVKDONJSA-N 1 1 183.295 2.040 10 0 AEAEMO CC(C)C[C@H](C)[NH2+][C@@H]1CCCCNC1 388827370 538437832 /nfs/dbraw/zinc/43/78/32/538437832.db2.gz TWRSSPSBOBSNNV-NWDGAFQWSA-N 1 1 198.354 2.153 10 0 AEAEMO CC(C)C[C@H](C)[NH2+][C@H]1CCCCNC1 388827374 538437588 /nfs/dbraw/zinc/43/75/88/538437588.db2.gz TWRSSPSBOBSNNV-RYUDHWBXSA-N 1 1 198.354 2.153 10 0 AEAEMO CC(C)C[C@@H](C)[NH2+][C@@H]1CCCCNC1 388827378 538438031 /nfs/dbraw/zinc/43/80/31/538438031.db2.gz TWRSSPSBOBSNNV-VXGBXAGGSA-N 1 1 198.354 2.153 10 0 AEAEMO CC(C)C[C@@H](C)[NH2+][C@H]1CCCCNC1 388827361 538437977 /nfs/dbraw/zinc/43/79/77/538437977.db2.gz TWRSSPSBOBSNNV-NEPJUHHUSA-N 1 1 198.354 2.153 10 0 AEAEMO CC(C)C[C@@H](C)[N@H+]1CC[C@@H](CCO)C1 388994460 538438679 /nfs/dbraw/zinc/43/86/79/538438679.db2.gz WCPCYSLOZWVJBS-NEPJUHHUSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CC[C@H](CCO)C1 388994461 538438766 /nfs/dbraw/zinc/43/87/66/538438766.db2.gz WCPCYSLOZWVJBS-NWDGAFQWSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[N@@H+](C)CC[C@@H]1CCCCO1 388921647 538438882 /nfs/dbraw/zinc/43/88/82/538438882.db2.gz RUFKNYXHLBEGNT-NSHDSACASA-N 1 1 185.311 2.287 10 0 AEAEMO CCC[N@@H+](C)CC[C@H]1CCCCO1 388921645 538438924 /nfs/dbraw/zinc/43/89/24/538438924.db2.gz RUFKNYXHLBEGNT-LLVKDONJSA-N 1 1 185.311 2.287 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CC[C@@H](CCO)C1 388994462 538438942 /nfs/dbraw/zinc/43/89/42/538438942.db2.gz WCPCYSLOZWVJBS-RYUDHWBXSA-N 1 1 199.338 2.125 10 0 AEAEMO CCc1nc(N(CC)CC)cc(C)[nH+]1 389205295 538439552 /nfs/dbraw/zinc/43/95/52/538439552.db2.gz GIYRQXFVDCTCLG-UHFFFAOYSA-N 1 1 193.294 2.194 10 0 AEAEMO CCCC[N@@H+](CCO)CC1(C)CCC1 389239164 538439859 /nfs/dbraw/zinc/43/98/59/538439859.db2.gz XLTQTNBSFRBVEU-UHFFFAOYSA-N 1 1 199.338 2.271 10 0 AEAEMO CC[C@@H]([NH2+]Cc1n[nH]cc1C)C(C)C 389340381 538441138 /nfs/dbraw/zinc/44/11/38/538441138.db2.gz XYXAORGPKJCPTB-SNVBAGLBSA-N 1 1 195.310 2.242 10 0 AEAEMO CCCC(=O)[C@@H]([NH3+])c1ccc(F)cc1 669376769 538443202 /nfs/dbraw/zinc/44/32/02/538443202.db2.gz PFFGBLYOWXFTFU-NSHDSACASA-N 1 1 195.237 2.195 10 0 AEAEMO CCCC(=O)[C@@H]([NH3+])c1ccc(C)cc1 669376703 538442993 /nfs/dbraw/zinc/44/29/93/538442993.db2.gz JEGXLGVLGKPQRG-LBPRGKRZSA-N 1 1 191.274 2.364 10 0 AEAEMO CCC(=O)[C@H]([NH3+])c1ccc(Cl)cc1 669376842 538442771 /nfs/dbraw/zinc/44/27/71/538442771.db2.gz XVMCYIAOCDOTMJ-SNVBAGLBSA-N 1 1 197.665 2.319 10 0 AEAEMO CCC(=O)[C@@H]([NH3+])c1ccc(Cl)cc1 669376841 538442773 /nfs/dbraw/zinc/44/27/73/538442773.db2.gz XVMCYIAOCDOTMJ-JTQLQIEISA-N 1 1 197.665 2.319 10 0 AEAEMO CC(C)C(=O)[C@@H]([NH3+])c1ccc(F)cc1 669376869 538442787 /nfs/dbraw/zinc/44/27/87/538442787.db2.gz ZYCALDOQPXAKSB-JTQLQIEISA-N 1 1 195.237 2.051 10 0 AEAEMO Cc1ccc([C@H]([NH3+])C(=O)C(C)C)cc1 669376627 538442882 /nfs/dbraw/zinc/44/28/82/538442882.db2.gz CGFXMHLUVPJQKM-NSHDSACASA-N 1 1 191.274 2.220 10 0 AEAEMO CC(C)C(=O)[C@H]([NH3+])c1ccc(F)cc1 669376870 538442915 /nfs/dbraw/zinc/44/29/15/538442915.db2.gz ZYCALDOQPXAKSB-SNVBAGLBSA-N 1 1 195.237 2.051 10 0 AEAEMO CCCC(=O)[C@H]([NH3+])c1ccc(C)cc1 669376702 538443017 /nfs/dbraw/zinc/44/30/17/538443017.db2.gz JEGXLGVLGKPQRG-GFCCVEGCSA-N 1 1 191.274 2.364 10 0 AEAEMO Cc1ccc([C@@H]([NH3+])C(=O)C(C)C)cc1 669376626 538442967 /nfs/dbraw/zinc/44/29/67/538442967.db2.gz CGFXMHLUVPJQKM-LLVKDONJSA-N 1 1 191.274 2.220 10 0 AEAEMO CCCC(=O)[C@H]([NH3+])c1ccc(F)cc1 669376768 538443174 /nfs/dbraw/zinc/44/31/74/538443174.db2.gz PFFGBLYOWXFTFU-LLVKDONJSA-N 1 1 195.237 2.195 10 0 AEAEMO CC[N@@H+](CC[C@H]1CCC1=O)CC(C)C 669381854 538445532 /nfs/dbraw/zinc/44/55/32/538445532.db2.gz YALXOJKNCQJCJL-LLVKDONJSA-N 1 1 197.322 2.334 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC1=O 669381843 538445545 /nfs/dbraw/zinc/44/55/45/538445545.db2.gz XURHVFWRZGUAFN-MNOVXSKESA-N 1 1 195.306 2.230 10 0 AEAEMO CCC[N@@H+](CC)CC[C@@H]1CCC1=O 669381615 538445563 /nfs/dbraw/zinc/44/55/63/538445563.db2.gz PMBCYDQODHNLKZ-JTQLQIEISA-N 1 1 183.295 2.088 10 0 AEAEMO C[C@H]1CCCC[N@H+]1CC[C@@H]1CCC1=O 669381844 538445741 /nfs/dbraw/zinc/44/57/41/538445741.db2.gz XURHVFWRZGUAFN-QWRGUYRKSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1CC[C@H]1CCC1=O 669381842 538445907 /nfs/dbraw/zinc/44/59/07/538445907.db2.gz XURHVFWRZGUAFN-GHMZBOCLSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@H]1CCCC[N@H+]1CC[C@H]1CCC1=O 669381845 538445935 /nfs/dbraw/zinc/44/59/35/538445935.db2.gz XURHVFWRZGUAFN-WDEREUQCSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC[N@@H+](CC)CC[C@H]1CCC1=O 669381616 538445967 /nfs/dbraw/zinc/44/59/67/538445967.db2.gz PMBCYDQODHNLKZ-SNVBAGLBSA-N 1 1 183.295 2.088 10 0 AEAEMO CC(C)(C)c1coc(C[NH2+]C2CC2)n1 669381907 538446027 /nfs/dbraw/zinc/44/60/27/538446027.db2.gz ZTJMRFFSMNIWNV-UHFFFAOYSA-N 1 1 194.278 2.224 10 0 AEAEMO Cc1ccc(-c2cc(C)[nH+]c(N)c2)cn1 669384958 538446866 /nfs/dbraw/zinc/44/68/66/538446866.db2.gz PMIHIVMLDKEIJP-UHFFFAOYSA-N 1 1 199.257 2.343 10 0 AEAEMO Cc1cc(-c2cccnc2C)cc(N)[nH+]1 669384754 538447231 /nfs/dbraw/zinc/44/72/31/538447231.db2.gz DIJWRNXOUHSERF-UHFFFAOYSA-N 1 1 199.257 2.343 10 0 AEAEMO CC(C)N(C(C)C)[C@@H]1CCC[NH2+][C@@H]1C 675056289 538449368 /nfs/dbraw/zinc/44/93/68/538449368.db2.gz NWHBVRUZRATNEJ-VXGBXAGGSA-N 1 1 198.354 2.246 10 0 AEAEMO CC(C)N(C(C)C)[C@H]1CCC[NH2+][C@@H]1C 675056284 538449376 /nfs/dbraw/zinc/44/93/76/538449376.db2.gz NWHBVRUZRATNEJ-NEPJUHHUSA-N 1 1 198.354 2.246 10 0 AEAEMO CC(C)[NH+](C(C)C)[C@H]1CCN[C@@H](C)C1 675056494 538449254 /nfs/dbraw/zinc/44/92/54/538449254.db2.gz RNRBTTPAZQHSTN-RYUDHWBXSA-N 1 1 198.354 2.246 10 0 AEAEMO CC(C)[NH+](C(C)C)[C@@H]1CCN[C@@H](C)C1 675056492 538449386 /nfs/dbraw/zinc/44/93/86/538449386.db2.gz RNRBTTPAZQHSTN-NWDGAFQWSA-N 1 1 198.354 2.246 10 0 AEAEMO CC(C)[NH+](C(C)C)[C@H]1CCN[C@H](C)C1 675056491 538449309 /nfs/dbraw/zinc/44/93/09/538449309.db2.gz RNRBTTPAZQHSTN-NEPJUHHUSA-N 1 1 198.354 2.246 10 0 AEAEMO CC(C)N(C(C)C)[C@@H]1CCC[NH2+][C@H]1C 675056286 538449321 /nfs/dbraw/zinc/44/93/21/538449321.db2.gz NWHBVRUZRATNEJ-NWDGAFQWSA-N 1 1 198.354 2.246 10 0 AEAEMO CC(C)N(C(C)C)[C@H]1CCC[NH2+][C@H]1C 675056288 538449636 /nfs/dbraw/zinc/44/96/36/538449636.db2.gz NWHBVRUZRATNEJ-RYUDHWBXSA-N 1 1 198.354 2.246 10 0 AEAEMO CC(C)[C@@H]1CC[N@@H+](CCC(C)(C)O)C1 157997276 541309220 /nfs/dbraw/zinc/30/92/20/541309220.db2.gz OHQIAJNDWXIKJA-LLVKDONJSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)[C@H]1CC[N@@H+](CCC(C)(C)O)C1 157997414 541309287 /nfs/dbraw/zinc/30/92/87/541309287.db2.gz OHQIAJNDWXIKJA-NSHDSACASA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H]1CCC[N@@H+]1C[C@@H](N)CC(C)C 216273383 541316717 /nfs/dbraw/zinc/31/67/17/541316717.db2.gz XMGHAFVLVSXFHX-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]1CCC[N@H+]1C[C@@H](N)CC(C)C 216273383 541316723 /nfs/dbraw/zinc/31/67/23/541316723.db2.gz XMGHAFVLVSXFHX-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CCC[N@@H+]1C[C@@H](N)CC(C)C 216273337 541316936 /nfs/dbraw/zinc/31/69/36/541316936.db2.gz XMGHAFVLVSXFHX-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1C[C@@H](N)CC(C)C 216273337 541316940 /nfs/dbraw/zinc/31/69/40/541316940.db2.gz XMGHAFVLVSXFHX-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@H]1CC[C@@H](C)NC1 219954265 541317990 /nfs/dbraw/zinc/31/79/90/541317990.db2.gz FATXMBWRZRMFHK-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@@H]1CC[C@@H](C)NC1 219954198 541318446 /nfs/dbraw/zinc/31/84/46/541318446.db2.gz FATXMBWRZRMFHK-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@H](C)[C@@H]1CO 299903699 541326453 /nfs/dbraw/zinc/32/64/53/541326453.db2.gz BBWHGPMQZXSHFI-SRVKXCTJSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@@H](C)[C@H]1CO 299903696 541326697 /nfs/dbraw/zinc/32/66/97/541326697.db2.gz BBWHGPMQZXSHFI-QJPTWQEYSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@H](C)[C@H]1CO 299903698 541327005 /nfs/dbraw/zinc/32/70/05/541327005.db2.gz BBWHGPMQZXSHFI-SDDRHHMPSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)[N@H+]1CCC(=O)C12CCCCC2 606269228 541347021 /nfs/dbraw/zinc/34/70/21/541347021.db2.gz YHLAAAMXNRACGF-UHFFFAOYSA-N 1 1 195.306 2.373 10 0 AEAEMO CC[N@@H+]1CC[C@@H](N)C12CCCCCC2 606271691 541347050 /nfs/dbraw/zinc/34/70/50/541347050.db2.gz KDABVTOCNPHZFS-LLVKDONJSA-N 1 1 196.338 2.132 10 0 AEAEMO CC[N@H+]1CC[C@@H](N)C12CCCCCC2 606271691 541347055 /nfs/dbraw/zinc/34/70/55/541347055.db2.gz KDABVTOCNPHZFS-LLVKDONJSA-N 1 1 196.338 2.132 10 0 AEAEMO CCC[N@@H+]1CC[C@H](N)C12CCCCC2 606271706 541347114 /nfs/dbraw/zinc/34/71/14/541347114.db2.gz LEJKPFUOQHINHD-NSHDSACASA-N 1 1 196.338 2.132 10 0 AEAEMO CCC[N@H+]1CC[C@H](N)C12CCCCC2 606271706 541347117 /nfs/dbraw/zinc/34/71/17/541347117.db2.gz LEJKPFUOQHINHD-NSHDSACASA-N 1 1 196.338 2.132 10 0 AEAEMO CC[N@H+]1CCC(=O)C12CCCCCC2 606269105 541347301 /nfs/dbraw/zinc/34/73/01/541347301.db2.gz KVWJMWDSZBXBRW-UHFFFAOYSA-N 1 1 195.306 2.374 10 0 AEAEMO CC(C)(C)[C@H]1CNc2ccc[nH+]c2N1 606264683 541347356 /nfs/dbraw/zinc/34/73/56/541347356.db2.gz BQWJFSUMFHPLHP-SECBINFHSA-N 1 1 191.278 2.334 10 0 AEAEMO CCC1CCC2(CC1)C(=O)CC[N@H+]2C 606268962 541347370 /nfs/dbraw/zinc/34/73/70/541347370.db2.gz HNYSMGIGYFNQLS-UHFFFAOYSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC1CCC2(CC1)C(=O)CC[N@@H+]2C 606268962 541347371 /nfs/dbraw/zinc/34/73/71/541347371.db2.gz HNYSMGIGYFNQLS-UHFFFAOYSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)[N@@H+]1CC[C@@H](N)C12CCCCC2 606271680 541347394 /nfs/dbraw/zinc/34/73/94/541347394.db2.gz JHYLWDDOPHMPRN-LLVKDONJSA-N 1 1 196.338 2.131 10 0 AEAEMO CC(C)[N@H+]1CC[C@@H](N)C12CCCCC2 606271680 541347398 /nfs/dbraw/zinc/34/73/98/541347398.db2.gz JHYLWDDOPHMPRN-LLVKDONJSA-N 1 1 196.338 2.131 10 0 AEAEMO C[N@@H+]1CCC(=O)[C@]12CCCC(C)(C)C2 606268972 541347523 /nfs/dbraw/zinc/34/75/23/541347523.db2.gz IOTMVQYYWAXLOH-GFCCVEGCSA-N 1 1 195.306 2.230 10 0 AEAEMO C[N@H+]1CCC(=O)[C@]12CCCC(C)(C)C2 606268972 541347527 /nfs/dbraw/zinc/34/75/27/541347527.db2.gz IOTMVQYYWAXLOH-GFCCVEGCSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC[N@@H+]1CC[C@@H](N)C12CCCCC2 606271705 541347541 /nfs/dbraw/zinc/34/75/41/541347541.db2.gz LEJKPFUOQHINHD-LLVKDONJSA-N 1 1 196.338 2.132 10 0 AEAEMO CCC[N@H+]1CC[C@@H](N)C12CCCCC2 606271705 541347545 /nfs/dbraw/zinc/34/75/45/541347545.db2.gz LEJKPFUOQHINHD-LLVKDONJSA-N 1 1 196.338 2.132 10 0 AEAEMO CC(C)(C)[C@@H]1CNc2ccc[nH+]c2N1 606264684 541347588 /nfs/dbraw/zinc/34/75/88/541347588.db2.gz BQWJFSUMFHPLHP-VIFPVBQESA-N 1 1 191.278 2.334 10 0 AEAEMO CCC[N@H+]1CCC(=O)C12CCCCC2 606269189 541347680 /nfs/dbraw/zinc/34/76/80/541347680.db2.gz WGSARIXSQMHHKQ-UHFFFAOYSA-N 1 1 195.306 2.374 10 0 AEAEMO CC(C)[N@@H+]1CC[C@H](N)C12CCCCC2 606271681 541347697 /nfs/dbraw/zinc/34/76/97/541347697.db2.gz JHYLWDDOPHMPRN-NSHDSACASA-N 1 1 196.338 2.131 10 0 AEAEMO CC(C)[N@H+]1CC[C@H](N)C12CCCCC2 606271681 541347702 /nfs/dbraw/zinc/34/77/02/541347702.db2.gz JHYLWDDOPHMPRN-NSHDSACASA-N 1 1 196.338 2.131 10 0 AEAEMO CC[N@@H+]1CC[C@H](N)C12CCCCCC2 606271692 541347744 /nfs/dbraw/zinc/34/77/44/541347744.db2.gz KDABVTOCNPHZFS-NSHDSACASA-N 1 1 196.338 2.132 10 0 AEAEMO CC[N@H+]1CC[C@H](N)C12CCCCCC2 606271692 541347749 /nfs/dbraw/zinc/34/77/49/541347749.db2.gz KDABVTOCNPHZFS-NSHDSACASA-N 1 1 196.338 2.132 10 0 AEAEMO CC[N@@H+]1CCC(=O)C12CCC(C)CC2 606269180 541347794 /nfs/dbraw/zinc/34/77/94/541347794.db2.gz VEVPSQYFPCDJQQ-UHFFFAOYSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[N@H+]1CCC(=O)C12CCC(C)CC2 606269180 541347795 /nfs/dbraw/zinc/34/77/95/541347795.db2.gz VEVPSQYFPCDJQQ-UHFFFAOYSA-N 1 1 195.306 2.230 10 0 AEAEMO C[N@@H+]1CCC(=O)[C@@]12CCCC(C)(C)C2 606268973 541347842 /nfs/dbraw/zinc/34/78/42/541347842.db2.gz IOTMVQYYWAXLOH-LBPRGKRZSA-N 1 1 195.306 2.230 10 0 AEAEMO C[N@H+]1CCC(=O)[C@@]12CCCC(C)(C)C2 606268973 541347847 /nfs/dbraw/zinc/34/78/47/541347847.db2.gz IOTMVQYYWAXLOH-LBPRGKRZSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@H]1CCC[N@@H+](CC[C@H]2CCC2=O)C1 669381265 541349555 /nfs/dbraw/zinc/34/95/55/541349555.db2.gz DKWMECOYNCQXMW-WDEREUQCSA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC2=O)C1 669381263 541349793 /nfs/dbraw/zinc/34/97/93/541349793.db2.gz DKWMECOYNCQXMW-MNOVXSKESA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@H]1CCC[N@@H+](CC[C@@H]2CCC2=O)C1 669381264 541349842 /nfs/dbraw/zinc/34/98/42/541349842.db2.gz DKWMECOYNCQXMW-QWRGUYRKSA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@@H]1CCC[N@@H+](CC[C@H]2CCC2=O)C1 669381262 541349981 /nfs/dbraw/zinc/34/99/81/541349981.db2.gz DKWMECOYNCQXMW-GHMZBOCLSA-N 1 1 195.306 2.088 10 0 AEAEMO C[N@@H+](C[C@H](O)C1CC1)C1CCCCC1 68908113 756968448 /nfs/dbraw/zinc/96/84/48/756968448.db2.gz XWUAIQUXCRIFOO-LBPRGKRZSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@@H+](C[C@@H](O)C1CC1)C1CCCCC1 68908116 756968607 /nfs/dbraw/zinc/96/86/07/756968607.db2.gz XWUAIQUXCRIFOO-GFCCVEGCSA-N 1 1 197.322 2.022 10 0 AEAEMO Cc1ccc[nH+]c1NCC(F)F 147880855 756998570 /nfs/dbraw/zinc/99/85/70/756998570.db2.gz IINATASHSIMAQO-UHFFFAOYSA-N 1 1 172.178 2.067 10 0 AEAEMO COC(C)(C)CNc1[nH+]cccc1C 159265133 757000939 /nfs/dbraw/zinc/00/09/39/757000939.db2.gz FOKMPEMFAKANDU-UHFFFAOYSA-N 1 1 194.278 2.227 10 0 AEAEMO Cc1ccc[nH+]c1NCCOC(C)C 159259626 757001326 /nfs/dbraw/zinc/00/13/26/757001326.db2.gz NCEZBGOKSCJMBF-UHFFFAOYSA-N 1 1 194.278 2.227 10 0 AEAEMO Cc1ccc(NCCOC(C)C)[nH+]c1 164537644 757006381 /nfs/dbraw/zinc/00/63/81/757006381.db2.gz DEWSMSOWEKCPLU-UHFFFAOYSA-N 1 1 194.278 2.227 10 0 AEAEMO CC(C)CCCN1CC[C@@H](C)[C@@H]([NH3+])C1 165543142 757010203 /nfs/dbraw/zinc/01/02/03/757010203.db2.gz LBWWKKXLXAXNNX-NEPJUHHUSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCCC[N@H+]1CC[C@@H](O)C1(C)C 259510221 757044094 /nfs/dbraw/zinc/04/40/94/757044094.db2.gz UMEMSMLTSUOWNL-SNVBAGLBSA-N 1 1 185.311 2.022 10 0 AEAEMO CCCCC[N@H+]1CC[C@H](O)C1(C)C 259510219 757044216 /nfs/dbraw/zinc/04/42/16/757044216.db2.gz UMEMSMLTSUOWNL-JTQLQIEISA-N 1 1 185.311 2.022 10 0 AEAEMO FC(F)(F)CC[N@H+]1CCC[C@H]2C[C@H]21 306172499 757057982 /nfs/dbraw/zinc/05/79/82/757057982.db2.gz LLZSGBDFKJGIIV-JGVFFNPUSA-N 1 1 193.212 2.423 10 0 AEAEMO FC(F)(F)CC[N@H+]1CCC[C@@H]2C[C@@H]21 306172503 757058359 /nfs/dbraw/zinc/05/83/59/757058359.db2.gz LLZSGBDFKJGIIV-SFYZADRCSA-N 1 1 193.212 2.423 10 0 AEAEMO c1coc(C[N@H+]2CCC[C@@H]3C[C@@H]32)c1 306300684 757060852 /nfs/dbraw/zinc/06/08/52/757060852.db2.gz LTOLOQTUZXQZCF-KOLCDFICSA-N 1 1 177.247 2.264 10 0 AEAEMO CC(C)C[N@H+]1CCC[C@@H]2C[C@@H]21 306337112 757061659 /nfs/dbraw/zinc/06/16/59/757061659.db2.gz TXTXORNLIUWRDP-ZJUUUORDSA-N 1 1 153.269 2.127 10 0 AEAEMO CC(C)C[N@@H+](C)[C@H]1CCO[C@H](C)C1 306345024 757061686 /nfs/dbraw/zinc/06/16/86/757061686.db2.gz OQBMIHRQCGGJCK-MNOVXSKESA-N 1 1 185.311 2.142 10 0 AEAEMO C[C@@H]1C[N@@H+](Cc2ccoc2)CCS1 306337435 757061813 /nfs/dbraw/zinc/06/18/13/757061813.db2.gz HOMIUVGKWLQXCA-SECBINFHSA-N 1 1 197.303 2.217 10 0 AEAEMO CC(=O)CC[N@H+]1CC(C)(C)C1(C)C 306344679 757061845 /nfs/dbraw/zinc/06/18/45/757061845.db2.gz OIRVNZDRBADPRM-UHFFFAOYSA-N 1 1 183.295 2.086 10 0 AEAEMO c1cc(C[N@H+]2CCC[C@@H]3C[C@@H]32)co1 306423261 757063399 /nfs/dbraw/zinc/06/33/99/757063399.db2.gz BDXZLBVAABSOCS-MNOVXSKESA-N 1 1 177.247 2.264 10 0 AEAEMO c1cc(C[N@H+]2CCC[C@H]3C[C@H]32)co1 306423265 757063798 /nfs/dbraw/zinc/06/37/98/757063798.db2.gz BDXZLBVAABSOCS-WDEREUQCSA-N 1 1 177.247 2.264 10 0 AEAEMO CC[N@@H+](C1CCC1)C1CCOCC1 306400800 757064061 /nfs/dbraw/zinc/06/40/61/757064061.db2.gz NMMXSUBPPYAIAM-UHFFFAOYSA-N 1 1 183.295 2.040 10 0 AEAEMO C1C[C@@H]2C[C@@H]2[N@@H+](CCC2CC2)C1 306446439 757065637 /nfs/dbraw/zinc/06/56/37/757065637.db2.gz SGCHVAHQHUFZHV-MNOVXSKESA-N 1 1 165.280 2.271 10 0 AEAEMO C1CC(C[N@H+]2CCC[C@H]3C[C@H]32)C1 306445864 757065705 /nfs/dbraw/zinc/06/57/05/757065705.db2.gz TYUKJTJNKJACGT-WDEREUQCSA-N 1 1 165.280 2.271 10 0 AEAEMO C[N@@H+](Cc1ccoc1)C1CCC1 306481520 757066292 /nfs/dbraw/zinc/06/62/92/757066292.db2.gz LITJFCWNRRZVJF-UHFFFAOYSA-N 1 1 165.236 2.264 10 0 AEAEMO C[C@@H]1CC[C@H]([NH+]2CC(F)C2)C[C@H]1C 306698509 757072026 /nfs/dbraw/zinc/07/20/26/757072026.db2.gz XKXPWLDHXAVBGP-KKZNHRDASA-N 1 1 185.286 2.465 10 0 AEAEMO C[C@H]1C[C@H]([NH+]2CC(F)C2)CC[C@H]1C 306698510 757072213 /nfs/dbraw/zinc/07/22/13/757072213.db2.gz XKXPWLDHXAVBGP-WCABBAIRSA-N 1 1 185.286 2.465 10 0 AEAEMO C[C@H]1C[C@@H]([NH+]2CC(F)C2)CC[C@H]1C 306698511 757073124 /nfs/dbraw/zinc/07/31/24/757073124.db2.gz XKXPWLDHXAVBGP-YWVKMMECSA-N 1 1 185.286 2.465 10 0 AEAEMO C[C@@H]1CC[C@@H]([NH+]2CC(F)C2)C[C@H]1C 306698508 757073262 /nfs/dbraw/zinc/07/32/62/757073262.db2.gz XKXPWLDHXAVBGP-FXPVBKGRSA-N 1 1 185.286 2.465 10 0 AEAEMO CC(C)C[N@@H+](C)C1CC(C)C1 306750657 757076645 /nfs/dbraw/zinc/07/66/45/757076645.db2.gz GVJFDFZTTCMRFY-UHFFFAOYSA-N 1 1 155.285 2.373 10 0 AEAEMO CCC[N@@H+](C)C[C@@H]1C[C@H](C)CC[C@@H]1O 53882862 571686471 /nfs/dbraw/zinc/68/64/71/571686471.db2.gz LLHBUJLDCIHYLW-WOPDTQHZSA-N 1 1 199.338 2.125 10 0 AEAEMO OCCC[C@H]1CCC[N@H+]1C1CCCC1 52762313 571686476 /nfs/dbraw/zinc/68/64/76/571686476.db2.gz PHLYAJUWVSUXCT-GFCCVEGCSA-N 1 1 197.322 2.166 10 0 AEAEMO CCC(CC)[N@@H+](C)Cc1nccn1C 687715410 571686537 /nfs/dbraw/zinc/68/65/37/571686537.db2.gz NQRNHZSNFKOHTA-UHFFFAOYSA-N 1 1 195.310 2.041 10 0 AEAEMO CC(C)(C)C[NH2+]C[C@@H]1CCCCCN1 81038202 571971597 /nfs/dbraw/zinc/97/15/97/571971597.db2.gz GRYYXKPVYXGQLN-NSHDSACASA-N 1 1 198.354 2.154 10 0 AEAEMO CC(C)(C)CNC[C@@H]1CCCCC[NH2+]1 81038202 571971599 /nfs/dbraw/zinc/97/15/99/571971599.db2.gz GRYYXKPVYXGQLN-NSHDSACASA-N 1 1 198.354 2.154 10 0 AEAEMO OCCCC[N@H+]1C[C@@H]2CCCCC[C@H]21 687715415 571686432 /nfs/dbraw/zinc/68/64/32/571686432.db2.gz ONZMYKTVVBXBCX-NWDGAFQWSA-N 1 1 197.322 2.023 10 0 AEAEMO CC[N@@H+](CCN)[C@@H]1CCCC(C)(C)C1 300828275 571976734 /nfs/dbraw/zinc/97/67/34/571976734.db2.gz OCDUXQPXZCXPJO-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@H](F)C1 307541991 757093550 /nfs/dbraw/zinc/09/35/50/757093550.db2.gz SWXSKRHILVJNLS-MXWKQRLJSA-N 1 1 185.286 2.466 10 0 AEAEMO CCCC[N@@H+](C)[C@H]1CC[NH2+]CC1(C)C 300828142 571976742 /nfs/dbraw/zinc/97/67/42/571976742.db2.gz JVHRZGPTJGOVFQ-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[N@H+](C)[C@H]1CCNCC1(C)C 300828142 571976743 /nfs/dbraw/zinc/97/67/43/571976743.db2.gz JVHRZGPTJGOVFQ-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO C[C@@H]1C[C@H]1C[N@H+]1CCCC[C@H](F)C1 307541997 757093953 /nfs/dbraw/zinc/09/39/53/757093953.db2.gz SWXSKRHILVJNLS-VWYCJHECSA-N 1 1 185.286 2.466 10 0 AEAEMO CC[C@@H]1CC[N@@H+](Cc2ccc[nH]2)C1 307546630 757093981 /nfs/dbraw/zinc/09/39/81/757093981.db2.gz ZZVSPWDUXFFFTD-SNVBAGLBSA-N 1 1 178.279 2.247 10 0 AEAEMO C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@@H](F)C1 307541989 757094186 /nfs/dbraw/zinc/09/41/86/757094186.db2.gz SWXSKRHILVJNLS-GMTAPVOTSA-N 1 1 185.286 2.466 10 0 AEAEMO C[C@@H]1C[C@H]1C[N@H+]1CCCC[C@@H](F)C1 307541994 757094277 /nfs/dbraw/zinc/09/42/77/757094277.db2.gz SWXSKRHILVJNLS-OUAUKWLOSA-N 1 1 185.286 2.466 10 0 AEAEMO CC[N@@H+](C)C[C@H](C)C(F)(F)F 307608172 757095111 /nfs/dbraw/zinc/09/51/11/757095111.db2.gz CWVFLLGAAJJIHK-LURJTMIESA-N 1 1 169.190 2.137 10 0 AEAEMO CC[N@@H+](C)C[C@@H](C)C(F)(F)F 307608173 757095592 /nfs/dbraw/zinc/09/55/92/757095592.db2.gz CWVFLLGAAJJIHK-ZCFIWIBFSA-N 1 1 169.190 2.137 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)C[C@@H]1CCC[C@H]1O 251895958 571825444 /nfs/dbraw/zinc/82/54/44/571825444.db2.gz PJEMBUXFLVHUHL-SDDRHHMPSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1[C@H](CC)CNC 251853049 571828364 /nfs/dbraw/zinc/82/83/64/571828364.db2.gz RZGMFKVIVVFLMK-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H]1CCCC[N@@H+]1[C@H](CC)CNC 251853049 571828365 /nfs/dbraw/zinc/82/83/65/571828365.db2.gz RZGMFKVIVVFLMK-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C)[C@H](N)C[N@H+]1CCCC[C@H]1C 251951938 571828395 /nfs/dbraw/zinc/82/83/95/571828395.db2.gz UPHAKGNVTOTRGH-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)[C@H]([NH3+])CN1CCCC[C@H]1C 251951938 571828398 /nfs/dbraw/zinc/82/83/98/571828398.db2.gz UPHAKGNVTOTRGH-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@H](CN)[N@H+]1CCCC[C@H]1C 252111800 571828409 /nfs/dbraw/zinc/82/84/09/571828409.db2.gz HWSWXNXVZCRPCG-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@H](C)C(C)=O 252426767 571833458 /nfs/dbraw/zinc/83/34/58/571833458.db2.gz WCLIXXLYRUTQHF-DTWKUNHWSA-N 1 1 171.284 2.084 10 0 AEAEMO CCCCC[N@H+]1CC[C@H](O)C[C@H]1C 308171580 757101113 /nfs/dbraw/zinc/10/11/13/757101113.db2.gz BOKWOGUHBUTVJX-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO CCCC[C@H](C)c1cnc(C[NH3+])o1 300880618 572005440 /nfs/dbraw/zinc/00/54/40/572005440.db2.gz GCFZSKGYVWWYLK-QMMMGPOBSA-N 1 1 182.267 2.427 10 0 AEAEMO CCCCC[N@H+]1CC[C@@H](O)C[C@@H]1C 308171582 757106397 /nfs/dbraw/zinc/10/63/97/757106397.db2.gz BOKWOGUHBUTVJX-WDEREUQCSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC(CC)[N@@H+](C)Cc1cnc[nH]1 308499750 757110644 /nfs/dbraw/zinc/11/06/44/757110644.db2.gz VYZGKZSUFZHSFX-UHFFFAOYSA-N 1 1 181.283 2.030 10 0 AEAEMO CCC(CC)[N@@H+](C)Cc1c[nH]cn1 308499750 757110668 /nfs/dbraw/zinc/11/06/68/757110668.db2.gz VYZGKZSUFZHSFX-UHFFFAOYSA-N 1 1 181.283 2.030 10 0 AEAEMO CCNC(C)(C)C[N@H+](CC)CC1CC1 68947575 572012105 /nfs/dbraw/zinc/01/21/05/572012105.db2.gz LJVPLMFARXWKDU-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CCNC(C)(C)C[N@@H+](CC)CC1CC1 68947575 572012108 /nfs/dbraw/zinc/01/21/08/572012108.db2.gz LJVPLMFARXWKDU-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO c1[nH+]c2c(c3c1CCC3)CCCC2 39215155 571910689 /nfs/dbraw/zinc/91/06/89/571910689.db2.gz MIPDGLIKFBNRRB-UHFFFAOYSA-N 1 1 173.259 2.449 10 0 AEAEMO CCC(=O)C[N@@H+](C)C(C)(C)CC 69000167 572019294 /nfs/dbraw/zinc/01/92/94/572019294.db2.gz CQMJBNKEKHCVFR-UHFFFAOYSA-N 1 1 171.284 2.086 10 0 AEAEMO C[C@H]1CCC[C@@H](C)[N@H+]1[C@@H]1CCC[C@@H]1N 40431252 571953951 /nfs/dbraw/zinc/95/39/51/571953951.db2.gz FQPYKQVREFWSEF-WHOHXGKFSA-N 1 1 196.338 2.129 10 0 AEAEMO C[N@H+]1CCCC[C@@H]1CCn1cccc1 234321450 571965713 /nfs/dbraw/zinc/96/57/13/571965713.db2.gz DJPZFGRLQDCYHC-GFCCVEGCSA-N 1 1 192.306 2.363 10 0 AEAEMO CC(C)(C)c1c[nH]nc1[C@H]1CCC[NH2+]1 219405462 571970703 /nfs/dbraw/zinc/97/07/03/571970703.db2.gz IOPJCYFXJWNFCB-SECBINFHSA-N 1 1 193.294 2.132 10 0 AEAEMO CC[C@@H](C)C[NH2+]C[C@H]1CCCCCN1 81038780 571970709 /nfs/dbraw/zinc/97/07/09/571970709.db2.gz BKUGTDOMJVTDPI-VXGBXAGGSA-N 1 1 198.354 2.154 10 0 AEAEMO CC[C@H](C)C[NH2+]C[C@@H]1CCCCCN1 81038778 571970820 /nfs/dbraw/zinc/97/08/20/571970820.db2.gz BKUGTDOMJVTDPI-RYUDHWBXSA-N 1 1 198.354 2.154 10 0 AEAEMO CC[C@H](C)[N@H+](C)C[C@@H](N)[C@H](C)CC 37110420 571970845 /nfs/dbraw/zinc/97/08/45/571970845.db2.gz OFGXJWIPEOLCIT-OUAUKWLOSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C)N(C)C[C@@H]([NH3+])[C@H](C)CC 37110420 571970847 /nfs/dbraw/zinc/97/08/47/571970847.db2.gz OFGXJWIPEOLCIT-OUAUKWLOSA-N 1 1 186.343 2.090 10 0 AEAEMO CC(C)(C)CC[C@@H](O)Cc1[nH]cc[nH+]1 300907130 572039389 /nfs/dbraw/zinc/03/93/89/572039389.db2.gz RMHYVSGVWULDQR-SECBINFHSA-N 1 1 196.294 2.139 10 0 AEAEMO [NH3+][C@H]1C(=O)c2cccc3cccc1c23 32222253 571974173 /nfs/dbraw/zinc/97/41/73/571974173.db2.gz AUHZCMLIXMOZLM-LLVKDONJSA-N 1 1 183.210 2.036 10 0 AEAEMO CC[C@@H](O)[C@@H](C)[N@@H+](C)CC1CCCC1 82492675 572042271 /nfs/dbraw/zinc/04/22/71/572042271.db2.gz ZQAQVGODUFLLBI-ZYHUDNBSSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@]1(C)CNCC[N@@H+]1CC=C(C)C 233992590 571979888 /nfs/dbraw/zinc/97/98/88/571979888.db2.gz VBKAVGOKAYECSR-LBPRGKRZSA-N 1 1 196.338 2.027 10 0 AEAEMO CC[C@@]1(C)CNCC[N@H+]1CC=C(C)C 233992590 571979889 /nfs/dbraw/zinc/97/98/89/571979889.db2.gz VBKAVGOKAYECSR-LBPRGKRZSA-N 1 1 196.338 2.027 10 0 AEAEMO CN[C@H](C)[C@H](C)[N@H+](C)CC1CCCC1 82492336 572042810 /nfs/dbraw/zinc/04/28/10/572042810.db2.gz CFJQGSUUKBIDJS-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)C[N@H+]1C[C@H](C)CC[C@@H]1CN 401214818 757143829 /nfs/dbraw/zinc/14/38/29/757143829.db2.gz TXKJHVFMDRFBFU-QJPTWQEYSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)CC[N@H+]1C[C@@H](C)CC[C@H]1CN 401218125 757143895 /nfs/dbraw/zinc/14/38/95/757143895.db2.gz WODRFMXSWZJWAY-RYUDHWBXSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)C[N@H+]1C[C@@H](C)CC[C@H]1CN 401214820 757143940 /nfs/dbraw/zinc/14/39/40/757143940.db2.gz TXKJHVFMDRFBFU-SRVKXCTJSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCCC[N@H+]1C[C@H](C)CC[C@H]1CN 401219869 757143974 /nfs/dbraw/zinc/14/39/74/757143974.db2.gz YCCOSYPAUJOSHR-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCCN1C[C@H](C)CC[C@H]1C[NH3+] 401219869 757144001 /nfs/dbraw/zinc/14/40/01/757144001.db2.gz YCCOSYPAUJOSHR-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CN[C@H](C)[C@H](C)[N@@H+](C)CC1CCCC1 82492336 572042811 /nfs/dbraw/zinc/04/28/11/572042811.db2.gz CFJQGSUUKBIDJS-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CCCCC[N@H+]1C[C@@H](C)CC[C@H]1CN 401219877 757144379 /nfs/dbraw/zinc/14/43/79/757144379.db2.gz YCCOSYPAUJOSHR-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCCN1C[C@@H](C)CC[C@H]1C[NH3+] 401219877 757144406 /nfs/dbraw/zinc/14/44/06/757144406.db2.gz YCCOSYPAUJOSHR-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)CC[N@H+]1C[C@H](C)CC[C@@H]1CN 401218126 757145365 /nfs/dbraw/zinc/14/53/65/757145365.db2.gz WODRFMXSWZJWAY-VXGBXAGGSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCCC[N@H+]1C[C@H](C)CC[C@@H]1CN 401219879 757145863 /nfs/dbraw/zinc/14/58/63/757145863.db2.gz YCCOSYPAUJOSHR-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCCN1C[C@H](C)CC[C@@H]1C[NH3+] 401219879 757145899 /nfs/dbraw/zinc/14/58/99/757145899.db2.gz YCCOSYPAUJOSHR-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCC[N@H+]1C[C@@H](C)CC[C@@H]1CN 401219874 757146417 /nfs/dbraw/zinc/14/64/17/757146417.db2.gz YCCOSYPAUJOSHR-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCCN1C[C@@H](C)CC[C@@H]1C[NH3+] 401219874 757146420 /nfs/dbraw/zinc/14/64/20/757146420.db2.gz YCCOSYPAUJOSHR-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)CC[N@H+]1C[C@H](C)CC[C@H]1CN 401218123 757147668 /nfs/dbraw/zinc/14/76/68/757147668.db2.gz WODRFMXSWZJWAY-NEPJUHHUSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](CCN)[C@@H]1C[C@@H](C)CC[C@H]1C 300841032 571981123 /nfs/dbraw/zinc/98/11/23/571981123.db2.gz QTDZKONJIRHOKH-QJPTWQEYSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)C[N@H+]1C[C@@H](C)CC[C@@H]1CN 401214819 757149122 /nfs/dbraw/zinc/14/91/22/757149122.db2.gz TXKJHVFMDRFBFU-SDDRHHMPSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)CC[N@H+]1C[C@@H](C)CC[C@@H]1CN 401218124 757149140 /nfs/dbraw/zinc/14/91/40/757149140.db2.gz WODRFMXSWZJWAY-NWDGAFQWSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)C[N@H+]1C[C@H](C)CC[C@H]1CN 401214821 757149178 /nfs/dbraw/zinc/14/91/78/757149178.db2.gz TXKJHVFMDRFBFU-TUAOUCFPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@@](C)(N)C[NH2+]CCC1CCC1 229119641 572043685 /nfs/dbraw/zinc/04/36/85/572043685.db2.gz RKHUOUJCXRLDPI-GFCCVEGCSA-N 1 1 198.354 2.284 10 0 AEAEMO CC[N@@H+](CCN)[C@@H]1CC[C@H](C)C[C@H]1C 300838053 571981171 /nfs/dbraw/zinc/98/11/71/571981171.db2.gz QDNXNKIHBIKERM-QJPTWQEYSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CCCN[C@@H]1C[NH2+]CC(C)(C)C 235549314 571981209 /nfs/dbraw/zinc/98/12/09/571981209.db2.gz HPKZAAWEBYZBIL-WDEREUQCSA-N 1 1 198.354 2.010 10 0 AEAEMO CC[N@@H+](CCN)[C@@H]1CC(C)(C)C[C@H]1C 300839427 571982552 /nfs/dbraw/zinc/98/25/52/571982552.db2.gz QKFTWXIZSCBNDU-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO Cc1[nH+]ccn1CCC(F)(F)Cl 402147698 757153919 /nfs/dbraw/zinc/15/39/19/757153919.db2.gz DCPQTAKQBIEDAU-UHFFFAOYSA-N 1 1 194.612 2.413 10 0 AEAEMO CC[NH2+][C@H](C(F)F)C(C)(C)SC 687703838 572045943 /nfs/dbraw/zinc/04/59/43/572045943.db2.gz NJTFOFOHHDYOCN-ZCFIWIBFSA-N 1 1 197.294 2.371 10 0 AEAEMO CCC[C@@](C)([NH3+])CN(C)C[C@@H]1C[C@@H]1C 82651153 572071323 /nfs/dbraw/zinc/07/13/23/572071323.db2.gz JVLUKPYEJAGBBO-SDDRHHMPSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(=O)C[C@H]1CCC[N@H+]1CC(C)(C)C 713178735 571993001 /nfs/dbraw/zinc/99/30/01/571993001.db2.gz BCIGLSAHVVQXGP-LLVKDONJSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC[C@H]([NH3+])CN1[C@@H](C)CCC[C@H]1C 36873582 572073359 /nfs/dbraw/zinc/07/33/59/572073359.db2.gz GADHVOSHMWSYFN-TUAOUCFPSA-N 1 1 198.354 2.377 10 0 AEAEMO CCC[N@@H+](C)Cc1ccc(O)cc1F 403998897 757181810 /nfs/dbraw/zinc/18/18/10/757181810.db2.gz HFALECYCNJSJJG-UHFFFAOYSA-N 1 1 197.253 2.373 10 0 AEAEMO CC(C)[N@@H+](C)Cc1ccc(O)cc1F 404094494 757183661 /nfs/dbraw/zinc/18/36/61/757183661.db2.gz XKBUUDREHXYLDH-UHFFFAOYSA-N 1 1 197.253 2.372 10 0 AEAEMO CCC[C@H](C)[NH2+][C@H]1C[C@H](N)C12CCC2 404635627 757185858 /nfs/dbraw/zinc/18/58/58/757185858.db2.gz HXQZHCONFAROAJ-DCAQKATOSA-N 1 1 196.338 2.035 10 0 AEAEMO CCC(CC)[NH2+][C@@H]1C[C@@H](N)C12CCC2 404679889 757187732 /nfs/dbraw/zinc/18/77/32/757187732.db2.gz ZZZQEYDZTPAQFO-GHMZBOCLSA-N 1 1 196.338 2.035 10 0 AEAEMO CCC(CC)[NH2+][C@H]1C[C@@H](N)C12CCC2 404679890 757188307 /nfs/dbraw/zinc/18/83/07/757188307.db2.gz ZZZQEYDZTPAQFO-MNOVXSKESA-N 1 1 196.338 2.035 10 0 AEAEMO CCC[N@H+](CC)[C@@H](CN)c1ccco1 37094832 572086574 /nfs/dbraw/zinc/08/65/74/572086574.db2.gz BSHMGCHGZDKRJL-JTQLQIEISA-N 1 1 196.294 2.011 10 0 AEAEMO CCC[C@H](C)[NH2+][C@@H]1C[C@@H](N)C12CCC2 404635630 757189756 /nfs/dbraw/zinc/18/97/56/757189756.db2.gz HXQZHCONFAROAJ-HBNTYKKESA-N 1 1 196.338 2.035 10 0 AEAEMO C[N@H+]1CC[C@@](O)(CCCC(C)(C)C)C1 300865535 571996322 /nfs/dbraw/zinc/99/63/22/571996322.db2.gz MNQBDIXLBWVYBR-LBPRGKRZSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC(CC)[NH2+][C@@H]1C[C@H](N)C12CCC2 404679892 757191842 /nfs/dbraw/zinc/19/18/42/757191842.db2.gz ZZZQEYDZTPAQFO-WDEREUQCSA-N 1 1 196.338 2.035 10 0 AEAEMO C[NH2+][C@@H](CCC(C)(C)OC)C(F)F 234385166 571996802 /nfs/dbraw/zinc/99/68/02/571996802.db2.gz OXATUZWHPFRUKD-ZETCQYMHSA-N 1 1 195.253 2.045 10 0 AEAEMO CCC[C@H](C)[NH2+][C@@H]1C[C@H](N)C12CCC2 404635628 757195010 /nfs/dbraw/zinc/19/50/10/757195010.db2.gz HXQZHCONFAROAJ-GARJFASQSA-N 1 1 196.338 2.035 10 0 AEAEMO CCC[C@H](C)[NH2+][C@H]1C[C@@H](N)C12CCC2 404635622 757195338 /nfs/dbraw/zinc/19/53/38/757195338.db2.gz HXQZHCONFAROAJ-AXFHLTTASA-N 1 1 196.338 2.035 10 0 AEAEMO CCC(CC)[NH2+][C@H]1C[C@H](N)C12CCC2 404679891 757195662 /nfs/dbraw/zinc/19/56/62/757195662.db2.gz ZZZQEYDZTPAQFO-QWRGUYRKSA-N 1 1 196.338 2.035 10 0 AEAEMO CC[C@@H](CC[NH3+])[N@H+](CC)[C@H](C)CC 37112425 572096906 /nfs/dbraw/zinc/09/69/06/572096906.db2.gz ZAFSRMBYNOMLGY-MNOVXSKESA-N 1 1 186.343 2.234 10 0 AEAEMO C[C@H]1CNCC[C@@H](C)[N@@H+]1C1CCCC1 219574382 571998017 /nfs/dbraw/zinc/99/80/17/571998017.db2.gz RKFFKARUDYTHSX-MNOVXSKESA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)C[C@H](N)C(C)C 37113405 572097911 /nfs/dbraw/zinc/09/79/11/572097911.db2.gz ZGDOFKIGSAJPCM-MNOVXSKESA-N 1 1 186.343 2.090 10 0 AEAEMO CCCCC[NH2+][C@H]1C[C@@H](N)C12CCC2 405290186 757201272 /nfs/dbraw/zinc/20/12/72/757201272.db2.gz XNMMDANIHRJGAQ-MNOVXSKESA-N 1 1 196.338 2.036 10 0 AEAEMO CCCCC[NH2+][C@H]1C[C@H](N)C12CCC2 405290188 757201472 /nfs/dbraw/zinc/20/14/72/757201472.db2.gz XNMMDANIHRJGAQ-QWRGUYRKSA-N 1 1 196.338 2.036 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)C1CCC(O)CC1 82034432 572000263 /nfs/dbraw/zinc/00/02/63/572000263.db2.gz KRSIWXCWOBGIEU-VOMCLLRMSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCCC[NH2+][C@@H]1C[C@@H](N)C12CCC2 405290185 757205506 /nfs/dbraw/zinc/20/55/06/757205506.db2.gz XNMMDANIHRJGAQ-GHMZBOCLSA-N 1 1 196.338 2.036 10 0 AEAEMO CCCC[N@@H+](CC)[C@H](C)CC(C)=O 82791659 572111201 /nfs/dbraw/zinc/11/12/01/572111201.db2.gz BUVBPNDYFKIKPL-SNVBAGLBSA-N 1 1 185.311 2.476 10 0 AEAEMO CC(C)C[N@@H+](C)CC(=O)C(C)(C)C 37335797 572111210 /nfs/dbraw/zinc/11/12/10/572111210.db2.gz VMZQHWAJBPWFGW-UHFFFAOYSA-N 1 1 185.311 2.189 10 0 AEAEMO CCCCC[NH2+][C@@H]1C[C@H](N)C12CCC2 405290190 757211758 /nfs/dbraw/zinc/21/17/58/757211758.db2.gz XNMMDANIHRJGAQ-WDEREUQCSA-N 1 1 196.338 2.036 10 0 AEAEMO CC[N@@H+](CCC[NH2+]C(C)C)CC1CC1 68946797 572005910 /nfs/dbraw/zinc/00/59/10/572005910.db2.gz SDTAZVAWADXOOC-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC(C)(C)C[N@H+]1CCC[C@H](O)[C@@H]1C 713186591 572005914 /nfs/dbraw/zinc/00/59/14/572005914.db2.gz IVVGDDFKLOJITG-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@@H+](CC1CC1)[C@H](CN)CC(C)C 68946557 572005990 /nfs/dbraw/zinc/00/59/90/572005990.db2.gz WNDJKLYBTNFQEE-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[NH2+][C@H](C)CC[N@@H+](CC)CC1CC1 68946870 572006019 /nfs/dbraw/zinc/00/60/19/572006019.db2.gz OXYPIZHJFZGBKY-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(=O)C[C@H](C)[N@H+](CC(C)C)C1CC1 82792046 572113472 /nfs/dbraw/zinc/11/34/72/572113472.db2.gz BHOOFVMIABIRCP-JTQLQIEISA-N 1 1 197.322 2.474 10 0 AEAEMO CCC[NH2+]CCC[N@@H+](CC)CC1CC1 68946733 572006351 /nfs/dbraw/zinc/00/63/51/572006351.db2.gz RFLRHLNZTPTGDL-UHFFFAOYSA-N 1 1 198.354 2.108 10 0 AEAEMO CC1(C)[C@@H](O)CC[N@H+]1CCCC1CC1 405987105 757224658 /nfs/dbraw/zinc/22/46/58/757224658.db2.gz FNPJQNJRIUBDKM-NSHDSACASA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]([NH3+])CN(C)CCC(C)(C)C1CC1 405970703 757225724 /nfs/dbraw/zinc/22/57/24/757225724.db2.gz UUEAWDISFDUGOU-JTQLQIEISA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H](N)C[N@H+](C)CCC(C)(C)C1CC1 405970703 757225732 /nfs/dbraw/zinc/22/57/32/757225732.db2.gz UUEAWDISFDUGOU-JTQLQIEISA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H](N)C[N@@H+](C)CCC(C)(C)C1CC1 405970703 757225768 /nfs/dbraw/zinc/22/57/68/757225768.db2.gz UUEAWDISFDUGOU-JTQLQIEISA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@@H](C)CN1[C@@H](C)C[NH2+]C[C@@H]1C 68914596 572008173 /nfs/dbraw/zinc/00/81/73/572008173.db2.gz LVTOVGCATWBVKU-WOPDTQHZSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[N@@H+](C)CCCCC(C)=O 37323202 572115589 /nfs/dbraw/zinc/11/55/89/572115589.db2.gz IDYHLYKTAUDMJE-JTQLQIEISA-N 1 1 185.311 2.476 10 0 AEAEMO CC1(C)[C@H](O)CC[N@H+]1CCCC1CC1 405987104 757232308 /nfs/dbraw/zinc/23/23/08/757232308.db2.gz FNPJQNJRIUBDKM-LLVKDONJSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1[C@H](O)CCC[N@H+]1CCCC1CC1 405983893 757228032 /nfs/dbraw/zinc/22/80/32/757228032.db2.gz DHXXYDRSYQVTLB-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCC[C@@](CC)(CN)[N@@H+](C)CC 68988142 572012615 /nfs/dbraw/zinc/01/26/15/572012615.db2.gz FSSQXUHJVFCZNE-NSHDSACASA-N 1 1 186.343 2.236 10 0 AEAEMO C[C@@H]([NH3+])CN(C)CCC(C)(C)C1CC1 405970705 757233070 /nfs/dbraw/zinc/23/30/70/757233070.db2.gz UUEAWDISFDUGOU-SNVBAGLBSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H](N)C[N@H+](C)CCC(C)(C)C1CC1 405970705 757233085 /nfs/dbraw/zinc/23/30/85/757233085.db2.gz UUEAWDISFDUGOU-SNVBAGLBSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H](N)C[N@@H+](C)CCC(C)(C)C1CC1 405970705 757233113 /nfs/dbraw/zinc/23/31/13/757233113.db2.gz UUEAWDISFDUGOU-SNVBAGLBSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@@H](CN)C(C)C 68995177 572016113 /nfs/dbraw/zinc/01/61/13/572016113.db2.gz HDFSCAAGOJILKI-JTQLQIEISA-N 1 1 186.343 2.090 10 0 AEAEMO C[C@H]1CCC[N@H+]1C[C@H](O)CC(C)(C)C 300233636 572016400 /nfs/dbraw/zinc/01/64/00/572016400.db2.gz LFRLRCADTMDESV-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H]1CC[C@@H](O)C[N@H+]1CCCC1CC1 406015763 757237527 /nfs/dbraw/zinc/23/75/27/757237527.db2.gz WDPMMPRRIZSLOG-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@@](C)(CC)CN 68995560 572016478 /nfs/dbraw/zinc/01/64/78/572016478.db2.gz KYTAHORRBUQESZ-NSHDSACASA-N 1 1 186.343 2.234 10 0 AEAEMO C[C@@H]1CC[C@H](O)C[N@H+]1CCCC1CC1 406015761 757238951 /nfs/dbraw/zinc/23/89/51/757238951.db2.gz WDPMMPRRIZSLOG-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@](C)(CC)CN 68995562 572016527 /nfs/dbraw/zinc/01/65/27/572016527.db2.gz KYTAHORRBUQESZ-LLVKDONJSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@H](N)[C@@H](C)[N@@H+](C)C(C)(C)CC 68997310 572019930 /nfs/dbraw/zinc/01/99/30/572019930.db2.gz NIBNMHLCPNWCEH-ZJUUUORDSA-N 1 1 186.343 2.233 10 0 AEAEMO CCC(C)(C)[N@H+](C)[C@H](C)[C@@H](C)NC 68997196 572019977 /nfs/dbraw/zinc/01/99/77/572019977.db2.gz IUZIGTGSTCYQFJ-NXEZZACHSA-N 1 1 186.343 2.103 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@H](C)[C@@H](C)NC 68997196 572019979 /nfs/dbraw/zinc/01/99/79/572019979.db2.gz IUZIGTGSTCYQFJ-NXEZZACHSA-N 1 1 186.343 2.103 10 0 AEAEMO CC[C@@H](O)[C@@H](C)[N@@H+](C)C(C)(C)CC 69000872 572020272 /nfs/dbraw/zinc/02/02/72/572020272.db2.gz XNEVWIBISMQVKH-NXEZZACHSA-N 1 1 187.327 2.266 10 0 AEAEMO C[NH2+][C@@H](CCCC(F)F)C(F)F 687915261 572023388 /nfs/dbraw/zinc/02/33/88/572023388.db2.gz GULQNPFFWDWTGI-YFKPBYRVSA-N 1 1 187.180 2.275 10 0 AEAEMO C[C@H]1CCC[C@@H]([N@@H+](C)C(C)(C)CN)C1 42492487 572024534 /nfs/dbraw/zinc/02/45/34/572024534.db2.gz QXCSUJVHGHELPN-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@@H](N)C[N@@H+](C)CC(C)C 37480956 572154196 /nfs/dbraw/zinc/15/41/96/572154196.db2.gz LNERBONEWKRMNX-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCCC[C@@H]([NH3+])CN(C)CC(C)C 37480956 572154199 /nfs/dbraw/zinc/15/41/99/572154199.db2.gz LNERBONEWKRMNX-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@](C)(CN)C1CC1 35659549 572031423 /nfs/dbraw/zinc/03/14/23/572031423.db2.gz BSHCEEBAAOMGSK-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H](C)C[N@H+](C)[C@@H]1CCCNC1 82499110 572031503 /nfs/dbraw/zinc/03/15/03/572031503.db2.gz GGVWGGDTWOZBLS-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)[C@@H]1CCCNC1 82499110 572031505 /nfs/dbraw/zinc/03/15/05/572031505.db2.gz GGVWGGDTWOZBLS-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[N@H+](CCC(C)C)[C@@H]1CCCNC1 82500237 572031517 /nfs/dbraw/zinc/03/15/17/572031517.db2.gz ZWUNFMBKWZLCHD-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[N@@H+](CCC(C)C)[C@@H]1CCCNC1 82500237 572031521 /nfs/dbraw/zinc/03/15/21/572031521.db2.gz ZWUNFMBKWZLCHD-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[C@@H]([NH3+])CN1CCC[C@H](C)C1 37480808 572154225 /nfs/dbraw/zinc/15/42/25/572154225.db2.gz VESCAVFKGXLCEN-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[C@@H](N)C[N@@H+]1CCC[C@H](C)C1 37480808 572154226 /nfs/dbraw/zinc/15/42/26/572154226.db2.gz VESCAVFKGXLCEN-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[C@@H](N)C[N@H+]1CCC[C@H](C)C1 37480808 572154228 /nfs/dbraw/zinc/15/42/28/572154228.db2.gz VESCAVFKGXLCEN-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H]1CCC[N@@H+](C[C@H](N)C(C)C)C1 36169906 572039452 /nfs/dbraw/zinc/03/94/52/572039452.db2.gz GUEINFURLVYBMZ-NEPJUHHUSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H]1CCCN(C[C@H]([NH3+])C(C)C)C1 36169906 572039454 /nfs/dbraw/zinc/03/94/54/572039454.db2.gz GUEINFURLVYBMZ-NEPJUHHUSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[C@H]([NH3+])CN1CCCC[C@@H]1C 37480787 572154243 /nfs/dbraw/zinc/15/42/43/572154243.db2.gz JKSMJTGYZSLEPD-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@H](N)C[N@@H+]1CCCC[C@@H]1C 37480787 572154245 /nfs/dbraw/zinc/15/42/45/572154245.db2.gz JKSMJTGYZSLEPD-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@H](N)C[N@H+]1CCCC[C@@H]1C 37480787 572154246 /nfs/dbraw/zinc/15/42/46/572154246.db2.gz JKSMJTGYZSLEPD-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[N@H+]1CC(C)(C)CNC(C)(C)C1 219734796 572048506 /nfs/dbraw/zinc/04/85/06/572048506.db2.gz XTAPPTFHGVIKAE-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCN1CC(C)(C)C[NH2+]C(C)(C)C1 219734796 572048509 /nfs/dbraw/zinc/04/85/09/572048509.db2.gz XTAPPTFHGVIKAE-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](C)c1noc([C@H]([NH3+])C(C)C)n1 82561204 572050038 /nfs/dbraw/zinc/05/00/38/572050038.db2.gz IQDNTRVICUIEFR-HTQZYQBOSA-N 1 1 197.282 2.239 10 0 AEAEMO CCC(CC)[N@@H+](C)C[C@](C)(N)C1CC1 37479260 572156699 /nfs/dbraw/zinc/15/66/99/572156699.db2.gz TULVXFVKCHCRRZ-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)N(C)C[C@](C)([NH3+])C1CC1 37479260 572156701 /nfs/dbraw/zinc/15/67/01/572156701.db2.gz TULVXFVKCHCRRZ-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@](C)(CN)C1CC1 36790389 572071797 /nfs/dbraw/zinc/07/17/97/572071797.db2.gz NKVDVFIKJZJWNJ-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@](C)(N)C[N@@H+](C)[C@@H](C)CC 37480961 572156719 /nfs/dbraw/zinc/15/67/19/572156719.db2.gz KBKQOMMQNDBQIX-QWRGUYRKSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@](C)([NH3+])CN(C)[C@@H](C)CC 37480961 572156721 /nfs/dbraw/zinc/15/67/21/572156721.db2.gz KBKQOMMQNDBQIX-QWRGUYRKSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@](C)(CN)C1CC1 36788863 572067328 /nfs/dbraw/zinc/06/73/28/572067328.db2.gz CZASOXDZKVODEO-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@](C)(CC)CN 36788832 572067352 /nfs/dbraw/zinc/06/73/52/572067352.db2.gz IGEJSDOHGXJLRW-LLVKDONJSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@H](CN)[N@@H+](C)[C@@H](C)C(C)C 36786896 572067360 /nfs/dbraw/zinc/06/73/60/572067360.db2.gz SKBXYUYYOSIVIA-WDEREUQCSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C(C)C)C1 82646640 572067855 /nfs/dbraw/zinc/06/78/55/572067855.db2.gz YXAADTUAPXKLDR-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[N@@H+]1CCCC[C@@H]1[C@@H](C)NC 82646918 572069271 /nfs/dbraw/zinc/06/92/71/572069271.db2.gz RHFWYYGXDPTQEN-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CS[C@H]1CC[C@H]([NH2+]CC(F)F)C1 235101473 572069359 /nfs/dbraw/zinc/06/93/59/572069359.db2.gz KIDURBKPNOSWBO-BQBZGAKWSA-N 1 1 195.278 2.125 10 0 AEAEMO CCCC[C@@H](CN)[N@@H+](C)C[C@@H]1C[C@@H]1C 82648067 572069386 /nfs/dbraw/zinc/06/93/86/572069386.db2.gz VVLYFQAJKLCAJH-SRVKXCTJSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[C@@H](C[NH3+])N(C)C[C@@H]1C[C@@H]1C 82648067 572069389 /nfs/dbraw/zinc/06/93/89/572069389.db2.gz VVLYFQAJKLCAJH-SRVKXCTJSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H](CN)[N@H+]1CCCCC[C@@H]1C 69944535 572164804 /nfs/dbraw/zinc/16/48/04/572164804.db2.gz LUSWUVWBLHWXPT-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@H](N)C[N@@H+](C)[C@@H](C)C(C)C 36873686 572072962 /nfs/dbraw/zinc/07/29/62/572072962.db2.gz YWZDBHSDBQYFQF-QWRGUYRKSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[C@H]([NH3+])CN(C)[C@@H](C)C(C)C 36873686 572072963 /nfs/dbraw/zinc/07/29/63/572072963.db2.gz YWZDBHSDBQYFQF-QWRGUYRKSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[C@H](N)C[N@@H+](C)C(CC)CC 36873688 572072980 /nfs/dbraw/zinc/07/29/80/572072980.db2.gz NJXNKIDYCQYNRG-JTQLQIEISA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@H]([NH3+])CN(C)C(CC)CC 36873688 572072982 /nfs/dbraw/zinc/07/29/82/572072982.db2.gz NJXNKIDYCQYNRG-JTQLQIEISA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@@H](N)C[N@@H+](CCC)C(C)C 36873637 572073009 /nfs/dbraw/zinc/07/30/09/572073009.db2.gz SFHSYLJGUJZWKW-LLVKDONJSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@@H]([NH3+])CN(CCC)C(C)C 36873637 572073011 /nfs/dbraw/zinc/07/30/11/572073011.db2.gz SFHSYLJGUJZWKW-LLVKDONJSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CCCC[C@@H]1C(C)=O 82645139 572080440 /nfs/dbraw/zinc/08/04/40/572080440.db2.gz WHVNUCCCBGASEY-ZYHUDNBSSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@@H](CNC)[N@@H+]1CCCCC[C@@H]1C 69945806 572164810 /nfs/dbraw/zinc/16/48/10/572164810.db2.gz VSJGZRBIDXVLGF-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](CNC)[N@H+]1CCCCC[C@@H]1C 69945806 572164812 /nfs/dbraw/zinc/16/48/12/572164812.db2.gz VSJGZRBIDXVLGF-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H](C)N 82659054 572080471 /nfs/dbraw/zinc/08/04/71/572080471.db2.gz DDKBMPPKIYRZQW-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCCC[C@@H](CN)[N@@H+](C)CC 37078467 572083449 /nfs/dbraw/zinc/08/34/49/572083449.db2.gz ZNEFNMRSHFDURO-NSHDSACASA-N 1 1 186.343 2.236 10 0 AEAEMO CCCCCC[C@@H](C[NH3+])N(C)CC 37078467 572083452 /nfs/dbraw/zinc/08/34/52/572083452.db2.gz ZNEFNMRSHFDURO-NSHDSACASA-N 1 1 186.343 2.236 10 0 AEAEMO CC[N@H+](C(C)C)[C@@H](CN)c1ccco1 37081993 572085284 /nfs/dbraw/zinc/08/52/84/572085284.db2.gz RKBZZZNXVLFZSA-JTQLQIEISA-N 1 1 196.294 2.010 10 0 AEAEMO CC[N@@H+](C(C)C)C(CC)(CC)CN 37081944 572086138 /nfs/dbraw/zinc/08/61/38/572086138.db2.gz JFMILJKIECEURV-UHFFFAOYSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC(CC)[N@@H+](C[C@H](C)CO)C1CC1 686002066 757293775 /nfs/dbraw/zinc/29/37/75/757293775.db2.gz QRPDVPWSLQYRRV-JTQLQIEISA-N 1 1 199.338 2.268 10 0 AEAEMO CCC(CC)(CN)[N@@H+](C)C1CCCC1 37084187 572086150 /nfs/dbraw/zinc/08/61/50/572086150.db2.gz SCQRVHDOEDOBRI-UHFFFAOYSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[N@@H+](CC)[C@@H](CN)c1ccco1 37094832 572086577 /nfs/dbraw/zinc/08/65/77/572086577.db2.gz BSHMGCHGZDKRJL-JTQLQIEISA-N 1 1 196.294 2.011 10 0 AEAEMO CCC[C@](C)(CN)[N@@H+](C)C1CCCC1 37084180 572086589 /nfs/dbraw/zinc/08/65/89/572086589.db2.gz HXDCYUZQOWMPJS-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CC(C)CC[C@](C)(CN)[N@@H+](C)C1CC1 37080816 572087763 /nfs/dbraw/zinc/08/77/63/572087763.db2.gz RBRRDGQSACJODS-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CC[C@](C)(C[NH3+])N(C)C1CC1 37080816 572087766 /nfs/dbraw/zinc/08/77/66/572087766.db2.gz RBRRDGQSACJODS-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](C[C@H](N)C(C)(C)C)C(C)C 37082073 572087802 /nfs/dbraw/zinc/08/78/02/572087802.db2.gz JGGZMHGCBVUOMY-JTQLQIEISA-N 1 1 186.343 2.090 10 0 AEAEMO CCN(C[C@H]([NH3+])C(C)(C)C)C(C)C 37082073 572087804 /nfs/dbraw/zinc/08/78/04/572087804.db2.gz JGGZMHGCBVUOMY-JTQLQIEISA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[C@@](C)(CN)[N@@H+](C)C1CCCC1 37084179 572087835 /nfs/dbraw/zinc/08/78/35/572087835.db2.gz HXDCYUZQOWMPJS-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@H](C)[NH2+]Cc1noc(C)n1 300399398 572173692 /nfs/dbraw/zinc/17/36/92/572173692.db2.gz VKRIZBUQKIFWMB-MRVPVSSYSA-N 1 1 197.282 2.046 10 0 AEAEMO CCC(CC)[N@@H+](C[C@@H](C)CO)C1CC1 686002067 757300539 /nfs/dbraw/zinc/30/05/39/757300539.db2.gz QRPDVPWSLQYRRV-SNVBAGLBSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[N@H+](CC)[C@H](CN)c1ccco1 37094833 572088235 /nfs/dbraw/zinc/08/82/35/572088235.db2.gz BSHMGCHGZDKRJL-SNVBAGLBSA-N 1 1 196.294 2.011 10 0 AEAEMO CCC[N@@H+](CC)[C@H](CN)c1ccco1 37094833 572088236 /nfs/dbraw/zinc/08/82/36/572088236.db2.gz BSHMGCHGZDKRJL-SNVBAGLBSA-N 1 1 196.294 2.011 10 0 AEAEMO CCC[N@@H+](C[C@@H](N)C(C)(C)C)C1CC1 37097136 572088630 /nfs/dbraw/zinc/08/86/30/572088630.db2.gz MBRQVVUFUIDAAY-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(C)(C)CC[NH2+]Cc1c[nH]cn1 686309558 757306703 /nfs/dbraw/zinc/30/67/03/757306703.db2.gz FWPBTRCJWKXZDJ-UHFFFAOYSA-N 1 1 195.310 2.326 10 0 AEAEMO CCC[C@H]1CCC[N@@H+](CCCO)CC1 70212643 572198995 /nfs/dbraw/zinc/19/89/95/572198995.db2.gz PJDXZQIFRQXYME-LBPRGKRZSA-N 1 1 199.338 2.271 10 0 AEAEMO CC(C)C[N@@H+](C)Cc1ccccc1N 37098945 572092642 /nfs/dbraw/zinc/09/26/42/572092642.db2.gz YHDCNACCKZAQQW-UHFFFAOYSA-N 1 1 192.306 2.357 10 0 AEAEMO CCC[C@@](C)(CN)[N@@H+](C)CC(C)C 37108266 572094984 /nfs/dbraw/zinc/09/49/84/572094984.db2.gz ZAOSLRLPPRRTRO-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@@H](C)[N@H+](C)[C@@H](CN)c1ccco1 37109900 572096232 /nfs/dbraw/zinc/09/62/32/572096232.db2.gz JIVWPXSBICNAAO-ZJUUUORDSA-N 1 1 196.294 2.010 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)[C@@H](CN)c1ccco1 37109900 572096236 /nfs/dbraw/zinc/09/62/36/572096236.db2.gz JIVWPXSBICNAAO-ZJUUUORDSA-N 1 1 196.294 2.010 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@@](C)(CC)CN 37112744 572097924 /nfs/dbraw/zinc/09/79/24/572097924.db2.gz XJKVUTXBGHBEMW-QWRGUYRKSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@H](N)[C@H](C)[N@@H+](C)C1CCCCC1 37116791 572100516 /nfs/dbraw/zinc/10/05/16/572100516.db2.gz GEYRMLXXZJDGEW-JQWIXIFHSA-N 1 1 198.354 2.377 10 0 AEAEMO CC[C@H]([NH3+])[C@H](C)N(C)C1CCCCC1 37116791 572100519 /nfs/dbraw/zinc/10/05/19/572100519.db2.gz GEYRMLXXZJDGEW-JQWIXIFHSA-N 1 1 198.354 2.377 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@@H]1CCCC[C@@H]1N 37172909 572103318 /nfs/dbraw/zinc/10/33/18/572103318.db2.gz NXYKHRMESYXNIV-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)CN(C)c1[nH+]cccc1N 37172822 572103466 /nfs/dbraw/zinc/10/34/66/572103466.db2.gz RCSJKEFQSOCLHG-SECBINFHSA-N 1 1 193.294 2.146 10 0 AEAEMO CC[C@@H](C)[C@H](CN)[N@@H+](CC)C(C)C 37228169 572108209 /nfs/dbraw/zinc/10/82/09/572108209.db2.gz ZBRYSVIFHRQQSS-MNOVXSKESA-N 1 1 186.343 2.090 10 0 AEAEMO CCN[C@H](C)C[N@H+](C)C(C)(C)CC 69432480 572113542 /nfs/dbraw/zinc/11/35/42/572113542.db2.gz BNERPZRGMLETPE-SNVBAGLBSA-N 1 1 186.343 2.105 10 0 AEAEMO CCN[C@H](C)C[N@@H+](C)C(C)(C)CC 69432480 572113544 /nfs/dbraw/zinc/11/35/44/572113544.db2.gz BNERPZRGMLETPE-SNVBAGLBSA-N 1 1 186.343 2.105 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCC[C@H](C(C)=O)C1 300347966 572129013 /nfs/dbraw/zinc/12/90/13/572129013.db2.gz MPBDKEHVEDXNCX-PWSUYJOCSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[N@@H+](CCC(C)=O)Cc1ccoc1 688600737 757339526 /nfs/dbraw/zinc/33/95/26/757339526.db2.gz SVWRWAOBUZLYPL-UHFFFAOYSA-N 1 1 195.262 2.081 10 0 AEAEMO CCC[C@H](CC)[N@H+]1CC[C@H](C)[C@@H](N)C1 300353128 572132443 /nfs/dbraw/zinc/13/24/43/572132443.db2.gz UKSIFVUISRNLGK-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](CC)N1CC[C@H](C)[C@@H]([NH3+])C1 300353128 572132445 /nfs/dbraw/zinc/13/24/45/572132445.db2.gz UKSIFVUISRNLGK-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(=O)CC[N@H+]1CCC[C@@H]1C1CCC1 688900233 757343880 /nfs/dbraw/zinc/34/38/80/757343880.db2.gz FKNFBDSKNGRBFX-GFCCVEGCSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(=O)CC[N@H+]1CCC[C@H]1C1CCC1 688900234 757344743 /nfs/dbraw/zinc/34/47/43/757344743.db2.gz FKNFBDSKNGRBFX-LBPRGKRZSA-N 1 1 195.306 2.230 10 0 AEAEMO CCCC[C@H](CCC)[N@H+]1CC[C@H](N)C1 300367581 572139959 /nfs/dbraw/zinc/13/99/59/572139959.db2.gz MCUUHIVZYVNFRP-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@H](N)C[N@@H+](C)CC(C)C 37480955 572154251 /nfs/dbraw/zinc/15/42/51/572154251.db2.gz LNERBONEWKRMNX-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CCCC[C@H]([NH3+])CN(C)CC(C)C 37480955 572154252 /nfs/dbraw/zinc/15/42/52/572154252.db2.gz LNERBONEWKRMNX-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CCCC[C@@H]([NH3+])CN(CCC)C1CC1 37480948 572156056 /nfs/dbraw/zinc/15/60/56/572156056.db2.gz RHBRXFNIIGSZTM-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@H](N)C[N@H+](CCC)C1CC1 37480948 572156058 /nfs/dbraw/zinc/15/60/58/572156058.db2.gz RHBRXFNIIGSZTM-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@H](N)C[N@@H+](CCC)C1CC1 37480948 572156059 /nfs/dbraw/zinc/15/60/59/572156059.db2.gz RHBRXFNIIGSZTM-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[N@@H+](C[C@@](C)(N)C1CC1)C(C)C 37479213 572156075 /nfs/dbraw/zinc/15/60/75/572156075.db2.gz UBVBERVLUBZHJF-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCN(C[C@@](C)([NH3+])C1CC1)C(C)C 37479213 572156077 /nfs/dbraw/zinc/15/60/77/572156077.db2.gz UBVBERVLUBZHJF-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)C[C@](C)(N)C1CC1 37479266 572156798 /nfs/dbraw/zinc/15/67/98/572156798.db2.gz WELIFAVHJZRLSF-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)N(C)C[C@](C)([NH3+])C1CC1 37479266 572156800 /nfs/dbraw/zinc/15/68/00/572156800.db2.gz WELIFAVHJZRLSF-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)[N@@H+](C)C[C@@](C)(N)C1CC1 37479262 572156848 /nfs/dbraw/zinc/15/68/48/572156848.db2.gz TULVXFVKCHCRRZ-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)N(C)C[C@@](C)([NH3+])C1CC1 37479262 572156849 /nfs/dbraw/zinc/15/68/49/572156849.db2.gz TULVXFVKCHCRRZ-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO FC(F)C[NH2+]C[C@H]1CCCCS1 87685597 572673868 /nfs/dbraw/zinc/67/38/68/572673868.db2.gz GKIZVHUSQVNHRA-SSDOTTSWSA-N 1 1 195.278 2.127 10 0 AEAEMO CC[C@@](C)([NH2+]Cc1c[nH]cn1)C1CC1 691537302 757361883 /nfs/dbraw/zinc/36/18/83/757361883.db2.gz DHVMAKUHRUQHMR-LLVKDONJSA-N 1 1 193.294 2.078 10 0 AEAEMO CCCC[C@H](N)C[NH2+][C@H]1C[C@H]1CCC 300392986 572162783 /nfs/dbraw/zinc/16/27/83/572162783.db2.gz XJVISUUTKVEPGQ-WOPDTQHZSA-N 1 1 198.354 2.282 10 0 AEAEMO Cc1c[nH+]c(N)c(-c2ccc(C)nc2)c1 69943183 572162810 /nfs/dbraw/zinc/16/28/10/572162810.db2.gz OTVSTGMLBOZYTE-UHFFFAOYSA-N 1 1 199.257 2.343 10 0 AEAEMO CC(C)OCCCc1ccc[nH+]c1N 69944297 572162838 /nfs/dbraw/zinc/16/28/38/572162838.db2.gz OPNLFKJTJFPVCV-UHFFFAOYSA-N 1 1 194.278 2.021 10 0 AEAEMO CC[C@](C)([NH2+]Cc1c[nH]cn1)C1CC1 691537303 757365078 /nfs/dbraw/zinc/36/50/78/757365078.db2.gz DHVMAKUHRUQHMR-NSHDSACASA-N 1 1 193.294 2.078 10 0 AEAEMO CCC(CC)N(C)c1[nH+]cccc1N 37504820 572162919 /nfs/dbraw/zinc/16/29/19/572162919.db2.gz HXLCREAGWGNPMZ-UHFFFAOYSA-N 1 1 193.294 2.289 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCN[C@H](C(C)C)C1 83059504 572192419 /nfs/dbraw/zinc/19/24/19/572192419.db2.gz MBBVXWZZPUVLQO-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)N1CC[NH2+][C@H](C(C)C)C1 83059504 572192421 /nfs/dbraw/zinc/19/24/21/572192421.db2.gz MBBVXWZZPUVLQO-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](N)C[N@H+]1CCCCC[C@@H]1C 69944771 572164280 /nfs/dbraw/zinc/16/42/80/572164280.db2.gz GMQUVTXHCYGKMV-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@H]([NH3+])CN1CCCCC[C@@H]1C 69944771 572164281 /nfs/dbraw/zinc/16/42/81/572164281.db2.gz GMQUVTXHCYGKMV-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCc1[nH+]ccn1[C@@H](C)[C@@H](O)CC 69964420 572164311 /nfs/dbraw/zinc/16/43/11/572164311.db2.gz SHUAFCMUTCTPDB-UWVGGRQHSA-N 1 1 196.294 2.168 10 0 AEAEMO CC[C@@](C)(CCO)[N@H+]1CCC[C@H]1C 300397036 572166355 /nfs/dbraw/zinc/16/63/55/572166355.db2.gz JNSXCZLQHBMEBD-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@H+]1CCNC[C@@H]1CC 83086799 572192475 /nfs/dbraw/zinc/19/24/75/572192475.db2.gz YXUCXTFMGHQJHP-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1C[N@H+](CCCC(C)C)CCN1 83084287 572192500 /nfs/dbraw/zinc/19/25/00/572192500.db2.gz PPBWABMGJFTJLQ-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H]1C[N@@H+](CCCC(C)C)CCN1 83084287 572192502 /nfs/dbraw/zinc/19/25/02/572192502.db2.gz PPBWABMGJFTJLQ-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC(CC)[C@H](C)[N@H+]1CCNC[C@@H]1C 83087524 572195222 /nfs/dbraw/zinc/19/52/22/572195222.db2.gz WVRJQSVPWWVNPD-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO Cc1[nH]c(C)c(-c2ccc(N)cc2)[nH+]1 36155398 572195266 /nfs/dbraw/zinc/19/52/66/572195266.db2.gz VNJMUYQPVNZIGN-UHFFFAOYSA-N 1 1 187.246 2.276 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@@H](CC)NC[C@@H]1CC 83088288 572195326 /nfs/dbraw/zinc/19/53/26/572195326.db2.gz RMBXTVSRDIWYKI-TUAOUCFPSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(CC)[N@H+]1CCCN[C@@H](CC)C1 83091597 572195368 /nfs/dbraw/zinc/19/53/68/572195368.db2.gz MKBGCHCZWBVBHP-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H]1CNCC[N@H+]1CCCC(C)C 83087353 572195398 /nfs/dbraw/zinc/19/53/98/572195398.db2.gz UATPNLSGYOSSLU-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H]1C[NH2+]CCN1CCCC(C)C 83087353 572195401 /nfs/dbraw/zinc/19/54/01/572195401.db2.gz UATPNLSGYOSSLU-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[N@@H+](C(C)C)[C@]1(CN)CCC[C@@H]1C 83392302 572207239 /nfs/dbraw/zinc/20/72/39/572207239.db2.gz OPWDVZUIHMGFBJ-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](N)C[NH2+]C(CC)(CC)CC 83388605 572207249 /nfs/dbraw/zinc/20/72/49/572207249.db2.gz MLQXKLUAGIRAKN-SNVBAGLBSA-N 1 1 186.343 2.282 10 0 AEAEMO CCC[N@H+]1CC[C@@H](N)[C@@]1(CC)CCC 711953510 572207258 /nfs/dbraw/zinc/20/72/58/572207258.db2.gz LAORTZBVSXGGLP-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@H](N)C[NH2+]C(CC)(CC)CC 83388604 572207326 /nfs/dbraw/zinc/20/73/26/572207326.db2.gz MLQXKLUAGIRAKN-JTQLQIEISA-N 1 1 186.343 2.282 10 0 AEAEMO CC(C)CCNc1ccc(N)c[nH+]1 19961757 572207351 /nfs/dbraw/zinc/20/73/51/572207351.db2.gz QTDNETJFWSAZBX-UHFFFAOYSA-N 1 1 179.267 2.122 10 0 AEAEMO CCC[C@@]1(CC)C(=O)CC[N@@H+]1C1CC1 711950339 572208653 /nfs/dbraw/zinc/20/86/53/572208653.db2.gz JVOQPTUSWQHCOE-LBPRGKRZSA-N 1 1 195.306 2.373 10 0 AEAEMO CCC[C@@]1(CC)C(=O)CC[N@H+]1C1CC1 711950339 572208656 /nfs/dbraw/zinc/20/86/56/572208656.db2.gz JVOQPTUSWQHCOE-LBPRGKRZSA-N 1 1 195.306 2.373 10 0 AEAEMO CCC[N@H+]1CC[C@H](N)[C@]1(CC)CCC 711953505 572208731 /nfs/dbraw/zinc/20/87/31/572208731.db2.gz LAORTZBVSXGGLP-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC(CC)(CC)[N@H+]1CC[C@H](NC)C1 83388178 572208737 /nfs/dbraw/zinc/20/87/37/572208737.db2.gz KKPPWBUONYDDMU-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)(CC)N1CC[C@H]([NH2+]C)C1 83388178 572208740 /nfs/dbraw/zinc/20/87/40/572208740.db2.gz KKPPWBUONYDDMU-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC1(C)CC[N@H+]1CC1(O)CCCCC1 694481779 757407988 /nfs/dbraw/zinc/40/79/88/757407988.db2.gz QVQQMUGHJYSPIQ-UHFFFAOYSA-N 1 1 197.322 2.166 10 0 AEAEMO C[NH2+][C@H](Cc1ccoc1)C(C)(F)F 393359967 572211349 /nfs/dbraw/zinc/21/13/49/572211349.db2.gz TXUFLTNUXSONJK-MRVPVSSYSA-N 1 1 189.205 2.065 10 0 AEAEMO CC(C)C[NH2+][C@@H]1C[C@H](C)N(C)[C@H](C)C1 257629288 572914005 /nfs/dbraw/zinc/91/40/05/572914005.db2.gz HNCZTEVWRRCIMB-GDNZZTSVSA-N 1 1 198.354 2.103 10 0 AEAEMO C/C=C/C[N@H+]1C[C@H](C)NC[C@@]1(C)CC 234119989 572225001 /nfs/dbraw/zinc/22/50/01/572225001.db2.gz CESKXXRADQNWMI-GAEWNOSXSA-N 1 1 196.338 2.025 10 0 AEAEMO C/C=C/C[N@@H+]1C[C@H](C)NC[C@@]1(C)CC 234119989 572225002 /nfs/dbraw/zinc/22/50/02/572225002.db2.gz CESKXXRADQNWMI-GAEWNOSXSA-N 1 1 196.338 2.025 10 0 AEAEMO CCOC(=[NH2+])CSCC(C)C 83497752 572233201 /nfs/dbraw/zinc/23/32/01/572233201.db2.gz GVZFDADRXUWXDN-UHFFFAOYSA-N 1 1 175.297 2.389 10 0 AEAEMO CCC(CC)[C@@H](C)[N@H+]1CCC[C@H](N)C1 70585451 572236610 /nfs/dbraw/zinc/23/66/10/572236610.db2.gz BVHURQKVFUIUAB-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)[C@@H](C)N1CCC[C@H]([NH3+])C1 70585451 572236611 /nfs/dbraw/zinc/23/66/11/572236611.db2.gz BVHURQKVFUIUAB-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(C)(C)[N@@H+]1CC[C@@H](NC2CC2)C1 70584426 572237023 /nfs/dbraw/zinc/23/70/23/572237023.db2.gz IVAYALSCNYNKFF-LLVKDONJSA-N 1 1 196.338 2.001 10 0 AEAEMO CCC(C)(C)[N@H+]1CC[C@@H](NC2CC2)C1 70584426 572237024 /nfs/dbraw/zinc/23/70/24/572237024.db2.gz IVAYALSCNYNKFF-LLVKDONJSA-N 1 1 196.338 2.001 10 0 AEAEMO CCCCC[C@@H](C)N1CCC[C@H]([NH3+])C1 70586272 572237133 /nfs/dbraw/zinc/23/71/33/572237133.db2.gz GJECVHCMYNSINP-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@@H](C)[N@@H+]1CCC[C@H](N)C1 70586272 572237135 /nfs/dbraw/zinc/23/71/35/572237135.db2.gz GJECVHCMYNSINP-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@@H](C)[N@H+]1CCC[C@H](N)C1 70586272 572237137 /nfs/dbraw/zinc/23/71/37/572237137.db2.gz GJECVHCMYNSINP-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[NH2+]C1(C(F)F)CC1 697373754 757428297 /nfs/dbraw/zinc/42/82/97/757428297.db2.gz UDGYHVLZMNMNMX-UHFFFAOYSA-N 1 1 163.211 2.174 10 0 AEAEMO CCC[NH2+]Cc1c[nH]c([C@H]2C[C@@H]2C)n1 83810697 572415306 /nfs/dbraw/zinc/41/53/06/572415306.db2.gz PASUOWOXJCISKV-WPRPVWTQSA-N 1 1 193.294 2.033 10 0 AEAEMO CC(C)=CCC[N@H+]1CC[C@@H](O)C1(C)C 697619309 757435266 /nfs/dbraw/zinc/43/52/66/757435266.db2.gz USELECICUDWOOT-LLVKDONJSA-N 1 1 197.322 2.188 10 0 AEAEMO CC(C)=CCC[N@H+]1CC[C@H](O)C1(C)C 697619310 757436462 /nfs/dbraw/zinc/43/64/62/757436462.db2.gz USELECICUDWOOT-NSHDSACASA-N 1 1 197.322 2.188 10 0 AEAEMO CCCC[C@H](C)[N@@H+](C)C[C@@H](N)CC 308209096 572941368 /nfs/dbraw/zinc/94/13/68/572941368.db2.gz VMRSJZVEEYQGQR-QWRGUYRKSA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[C@H](C)N(C)C[C@@H]([NH3+])CC 308209096 572941371 /nfs/dbraw/zinc/94/13/71/572941371.db2.gz VMRSJZVEEYQGQR-QWRGUYRKSA-N 1 1 186.343 2.234 10 0 AEAEMO CC(C)[NH2+]Cc1c[nH]c([C@@H]2C[C@@H]2C)n1 83810703 572417135 /nfs/dbraw/zinc/41/71/35/572417135.db2.gz QNRRGLPLZHNNPN-WCBMZHEXSA-N 1 1 193.294 2.031 10 0 AEAEMO CC(=O)C[C@H]1CCC[N@H+]1CCC1CC1 86497846 572945737 /nfs/dbraw/zinc/94/57/37/572945737.db2.gz ZUHUUFOFMFEZFJ-GFCCVEGCSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)[NH2+]Cc1c[nH]c([C@H]2C[C@H]2C)n1 83810700 572417172 /nfs/dbraw/zinc/41/71/72/572417172.db2.gz QNRRGLPLZHNNPN-SCZZXKLOSA-N 1 1 193.294 2.031 10 0 AEAEMO C/C=C\C[N@@H+](C)Cc1ccco1 308029907 572460911 /nfs/dbraw/zinc/46/09/11/572460911.db2.gz INYLAJXMKXCVCG-ARJAWSKDSA-N 1 1 165.236 2.288 10 0 AEAEMO CC[C@@H]1CC[C@@H]([NH2+]Cc2c[nH]cn2)C1 84080927 572493697 /nfs/dbraw/zinc/49/36/97/572493697.db2.gz RGQALHCTVCTYKK-NXEZZACHSA-N 1 1 193.294 2.078 10 0 AEAEMO C[N@@H+](CC(C)(C)C)[C@@H]1CCCC1=O 45084846 572507200 /nfs/dbraw/zinc/50/72/00/572507200.db2.gz HUOCSORMKPGPEI-SECBINFHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[N@@H+](C)C[C@@]1(CO)CCC[C@H](C)C1 84347806 572537385 /nfs/dbraw/zinc/53/73/85/572537385.db2.gz PNZASAYAFXMGAH-NWDGAFQWSA-N 1 1 199.338 2.127 10 0 AEAEMO CC(=O)C[C@H](C)[N@H+]1CCC[C@@H](C)[C@H]1C 82792573 573198711 /nfs/dbraw/zinc/19/87/11/573198711.db2.gz OIFLLUILCFJVJP-JFGNBEQYSA-N 1 1 197.322 2.474 10 0 AEAEMO CC(C)/C=C(/[NH3+])C(C)C 115420817 573198712 /nfs/dbraw/zinc/19/87/12/573198712.db2.gz CYHSYHNXSDQDQD-VMPITWQZSA-N 1 1 127.231 2.141 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1CC(C)(C)CO 69945730 572611825 /nfs/dbraw/zinc/61/18/25/572611825.db2.gz JJVTZQYGSNPXPB-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@H+]1CCCCC[C@@H]1C 69945522 572611838 /nfs/dbraw/zinc/61/18/38/572611838.db2.gz NDMFXWWJXORXNB-SRVKXCTJSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[C@H](C)[N@H+]1C[C@H](C)[C@@](C)(CN)C1 308520733 573228522 /nfs/dbraw/zinc/22/85/22/573228522.db2.gz XRTRNEJRKMILTO-SRVKXCTJSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)=CC[N@H+]1CC[C@@H](C)C[C@@H]1CN 235277439 572635426 /nfs/dbraw/zinc/63/54/26/572635426.db2.gz UMQRUALSDHYELB-VXGBXAGGSA-N 1 1 196.338 2.012 10 0 AEAEMO CC(C)=CC[N@@H+]1CC[C@@H](C)C[C@@H]1CN 235277439 572635428 /nfs/dbraw/zinc/63/54/28/572635428.db2.gz UMQRUALSDHYELB-VXGBXAGGSA-N 1 1 196.338 2.012 10 0 AEAEMO CC[C@@](C)([C@@H](C=C(C)C)NC)[NH+](C)C 86058772 573241983 /nfs/dbraw/zinc/24/19/83/573241983.db2.gz NVHFLLXIIDEHSO-NEPJUHHUSA-N 1 1 198.354 2.271 10 0 AEAEMO CC(C)C[N@@H+](C)CC[C@@H](C)F 307858636 572659709 /nfs/dbraw/zinc/65/97/09/572659709.db2.gz DVBMKJJTWYROJW-SECBINFHSA-N 1 1 161.264 2.322 10 0 AEAEMO C[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)N)CC1 235286636 572660568 /nfs/dbraw/zinc/66/05/68/572660568.db2.gz FKLUXFZSUCKETE-GHMZBOCLSA-N 1 1 198.354 2.282 10 0 AEAEMO C=C/C=C\CCO[NH+]=C(N)[C@@H]1C[C@@H]1C 882999043 757511002 /nfs/dbraw/zinc/51/10/02/757511002.db2.gz WPFSSDGIQBKXFU-YVDHIRPGSA-N 1 1 194.278 2.273 10 0 AEAEMO C=C/C=C\CCO[NH+]=C(N)[C@@H]1C[C@H]1C 882999040 757511076 /nfs/dbraw/zinc/51/10/76/757511076.db2.gz WPFSSDGIQBKXFU-BYIQDMNASA-N 1 1 194.278 2.273 10 0 AEAEMO C=C/C=C/CCO[NH+]=C(N)[C@@H]1C[C@@H]1C 882999042 757511120 /nfs/dbraw/zinc/51/11/20/757511120.db2.gz WPFSSDGIQBKXFU-OCIBVNFRSA-N 1 1 194.278 2.273 10 0 AEAEMO C=C/C=C/CCO[NH+]=C(N)[C@@H]1C[C@H]1C 882999041 757511158 /nfs/dbraw/zinc/51/11/58/757511158.db2.gz WPFSSDGIQBKXFU-NUNSBDKSSA-N 1 1 194.278 2.273 10 0 AEAEMO CCC[N@@H+](CC(C)(C)O)C(C)(C)C 308094131 572679210 /nfs/dbraw/zinc/67/92/10/572679210.db2.gz KFMWYVSBQHULAW-UHFFFAOYSA-N 1 1 187.327 2.268 10 0 AEAEMO CC[C@H]1CN[C@H](C)C[N@H+]1CC(C)(C)C 83085616 573390009 /nfs/dbraw/zinc/39/00/09/573390009.db2.gz DAICRZQOMGWASV-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO C[N@@H+](C1CC1)[C@H]1CC(C)(C)CC[C@H]1O 70654751 572720934 /nfs/dbraw/zinc/72/09/34/572720934.db2.gz WRTTYKACSNICJB-WDEREUQCSA-N 1 1 197.322 2.020 10 0 AEAEMO C[N@@H+](C1CC1)[C@@H]1CC(C)(C)CC[C@@H]1O 70654748 572722369 /nfs/dbraw/zinc/72/23/69/572722369.db2.gz WRTTYKACSNICJB-MNOVXSKESA-N 1 1 197.322 2.020 10 0 AEAEMO C[N@@H+](C1CC1)[C@@H]1CC(C)(C)CC[C@H]1O 70654749 572722405 /nfs/dbraw/zinc/72/24/05/572722405.db2.gz WRTTYKACSNICJB-GHMZBOCLSA-N 1 1 197.322 2.020 10 0 AEAEMO C[N@@H+](C1CC1)[C@H]1CC(C)(C)CC[C@@H]1O 70654750 572722427 /nfs/dbraw/zinc/72/24/27/572722427.db2.gz WRTTYKACSNICJB-QWRGUYRKSA-N 1 1 197.322 2.020 10 0 AEAEMO CCCC[N@@H+](C)CC[C@@H](C)F 307890128 572735892 /nfs/dbraw/zinc/73/58/92/572735892.db2.gz YRJHSPUFEYKNGM-SECBINFHSA-N 1 1 161.264 2.466 10 0 AEAEMO CCN[C@H](C)C[N@H+](CC)C1CCCC1 44471989 573910747 /nfs/dbraw/zinc/91/07/47/573910747.db2.gz ASFQSTLQPNUZNG-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@](C)([C@H](C)NC)[NH+]1CCCCC1 85749681 572793830 /nfs/dbraw/zinc/79/38/30/572793830.db2.gz LRWBPZZKIQIRQP-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C)[C@@H](C)[N@H+]1CCN[C@@H](C)CC1 49662395 572793874 /nfs/dbraw/zinc/79/38/74/572793874.db2.gz NFYIRWRPSAAALV-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@](C)([C@@H](C)NC)[NH+]1CCCCC1 85749679 572793905 /nfs/dbraw/zinc/79/39/05/572793905.db2.gz LRWBPZZKIQIRQP-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[NH+](CC)[C@](C)(CC)[C@@H](C)NC 85748141 572794038 /nfs/dbraw/zinc/79/40/38/572794038.db2.gz VIMVBDXBUVSBSA-GHMZBOCLSA-N 1 1 186.343 2.105 10 0 AEAEMO CC[C@@H]1CC[N@H+](C2CCCC2)CCN1 49661529 572794060 /nfs/dbraw/zinc/79/40/60/572794060.db2.gz HEEXUCJRQVVLFH-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@@H]1CCN(C2CCCC2)CC[NH2+]1 49661529 572794062 /nfs/dbraw/zinc/79/40/62/572794062.db2.gz HEEXUCJRQVVLFH-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@H]1CC(=O)CC[N@H+]1CC1CCCC1 49710676 572807351 /nfs/dbraw/zinc/80/73/51/572807351.db2.gz ALVVBJLPBLBYHQ-JTQLQIEISA-N 1 1 195.306 2.230 10 0 AEAEMO CC[N@H+](C1CCCCC1)C1CC(N)C1 87653148 574002371 /nfs/dbraw/zinc/00/23/71/574002371.db2.gz PMGYQCXBWJXXCZ-UHFFFAOYSA-N 1 1 196.338 2.131 10 0 AEAEMO CC(C)(C)[N@H+]1CCC(=O)CC1(C)C 259285755 574031519 /nfs/dbraw/zinc/03/15/19/574031519.db2.gz GUCXXEFSBKJMIC-UHFFFAOYSA-N 1 1 183.295 2.228 10 0 AEAEMO CCC[N@@H+](C)[C@@](C)(CN)[C@@H](C)CC 308141706 572830427 /nfs/dbraw/zinc/83/04/27/572830427.db2.gz LNVXJATUYLCVRR-QWRGUYRKSA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@](C)(CC)C(C)=O 308142115 572831045 /nfs/dbraw/zinc/83/10/45/572831045.db2.gz LXWWUZNDLIIKAI-ONGXEEELSA-N 1 1 185.311 2.474 10 0 AEAEMO C/C=C\C[N@@H+](C)CC[C@@H]1CCCO1 308181411 572902408 /nfs/dbraw/zinc/90/24/08/572902408.db2.gz HKVFWFXRAVFYGH-BYCRGOAPSA-N 1 1 183.295 2.063 10 0 AEAEMO CCCCc1noc([C@@H]([NH3+])CCC)n1 86314658 572914142 /nfs/dbraw/zinc/91/41/42/572914142.db2.gz BEYNZYVENYWAJJ-QMMMGPOBSA-N 1 1 197.282 2.212 10 0 AEAEMO CC[C@H](C)[N@@H+]1CCC[C@@H]1CNC1CC1 86386657 572927718 /nfs/dbraw/zinc/92/77/18/572927718.db2.gz CMKPGUPCULNJII-CMPLNLGQSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC[C@@H]1CNC1CC1 86386657 572927720 /nfs/dbraw/zinc/92/77/20/572927720.db2.gz CMKPGUPCULNJII-CMPLNLGQSA-N 1 1 196.338 2.001 10 0 AEAEMO CCC[C@@H](CC)[NH2+]CC(C)(C)NC 308205338 572933921 /nfs/dbraw/zinc/93/39/21/572933921.db2.gz SIRNUVNSCUBTRY-SNVBAGLBSA-N 1 1 186.343 2.153 10 0 AEAEMO C=C/C=C/CC[N@H+]1CCC(=O)[C@H](C)C1 713642644 572937098 /nfs/dbraw/zinc/93/70/98/572937098.db2.gz FFMCYJPTQFLXNV-SGUJLRQBSA-N 1 1 193.290 2.030 10 0 AEAEMO CC[C@H](C)C[N@@H+](CC)[C@@H](CC)CN 86437077 572937161 /nfs/dbraw/zinc/93/71/61/572937161.db2.gz OAFBZLUMPCVZCV-QWRGUYRKSA-N 1 1 186.343 2.092 10 0 AEAEMO CC/C=C/CC[N@H+]1CC[C@]12CCOC2 1117990255 757641890 /nfs/dbraw/zinc/64/18/90/757641890.db2.gz WFYGJNAEYONNOD-AAOUONPWSA-N 1 1 195.306 2.208 10 0 AEAEMO CC/C=C\CC[N@H+]1CC[C@]12CCOC2 1117990258 757642001 /nfs/dbraw/zinc/64/20/01/757642001.db2.gz WFYGJNAEYONNOD-VSQXVHSFSA-N 1 1 195.306 2.208 10 0 AEAEMO CC[N@@H+](CCCOC)Cc1ccco1 58198056 572943805 /nfs/dbraw/zinc/94/38/05/572943805.db2.gz DDYRVJHTNICNQB-UHFFFAOYSA-N 1 1 197.278 2.138 10 0 AEAEMO C[C@H]([N@@H+](C)C1(CN)CCC1)C(C)(C)C 86475098 572943831 /nfs/dbraw/zinc/94/38/31/572943831.db2.gz MQWUFJCNICSNJQ-JTQLQIEISA-N 1 1 198.354 2.234 10 0 AEAEMO CC/C=C\CC[N@H+]1CC[C@@]12CCOC2 1117990256 757644739 /nfs/dbraw/zinc/64/47/39/757644739.db2.gz WFYGJNAEYONNOD-MVZIDQBPSA-N 1 1 195.306 2.208 10 0 AEAEMO CC(C)(C)CC[N@H+]1CC[C@]12CCOC2 1117989395 757645038 /nfs/dbraw/zinc/64/50/38/757645038.db2.gz IUCNDYSIXPOZSL-GFCCVEGCSA-N 1 1 197.322 2.287 10 0 AEAEMO C[N@@H+](CCC1CCC1)[C@@H]1CCCC1=O 688692091 572946018 /nfs/dbraw/zinc/94/60/18/572946018.db2.gz QVOQKVIQBQRLEM-LLVKDONJSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)(C)CC[N@H+]1CC[C@@]12CCOC2 1117989399 757649916 /nfs/dbraw/zinc/64/99/16/757649916.db2.gz IUCNDYSIXPOZSL-LBPRGKRZSA-N 1 1 197.322 2.287 10 0 AEAEMO CC/C=C/CC[N@H+]1CC[C@@]12CCOC2 1117990257 757650963 /nfs/dbraw/zinc/65/09/63/757650963.db2.gz WFYGJNAEYONNOD-PCAWENJQSA-N 1 1 195.306 2.208 10 0 AEAEMO CC(C)C[N@@H+](C)CC[C@@H]1CCCC1=O 86530147 572950415 /nfs/dbraw/zinc/95/04/15/572950415.db2.gz MEWFEUHIVPSMJB-NSHDSACASA-N 1 1 197.322 2.334 10 0 AEAEMO CC[N@@H+](CC[C@@H]1CCCC1=O)C(C)C 86530120 572950419 /nfs/dbraw/zinc/95/04/19/572950419.db2.gz YEFPEECWXJITAD-NSHDSACASA-N 1 1 197.322 2.476 10 0 AEAEMO C[N@@H+](CC[C@@H]1CCCC1=O)CC1CC1 86530241 572950425 /nfs/dbraw/zinc/95/04/25/572950425.db2.gz ZGWRLHDYHFJHGU-NSHDSACASA-N 1 1 195.306 2.088 10 0 AEAEMO CCC[N@@H+](C)CC[C@H]1CCCC1=O 86530145 572950440 /nfs/dbraw/zinc/95/04/40/572950440.db2.gz IYDLQKYVOKUJNG-SNVBAGLBSA-N 1 1 183.295 2.088 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC1=O 86530150 572950458 /nfs/dbraw/zinc/95/04/58/572950458.db2.gz OGLVTKFFEVBNPI-MNOVXSKESA-N 1 1 197.322 2.476 10 0 AEAEMO Cc1cc(N)ccc1[N@@H+]1CC[C@@H](C)C1 58396220 572951432 /nfs/dbraw/zinc/95/14/32/572951432.db2.gz IKNAHITXBDPPCV-SECBINFHSA-N 1 1 190.290 2.423 10 0 AEAEMO Cc1cc(N)ccc1[N@H+]1CC[C@@H](C)C1 58396220 572951434 /nfs/dbraw/zinc/95/14/34/572951434.db2.gz IKNAHITXBDPPCV-SECBINFHSA-N 1 1 190.290 2.423 10 0 AEAEMO CCCCC[N@@H+](C)[C@@H]1CCC(=O)C1 86617862 572965787 /nfs/dbraw/zinc/96/57/87/572965787.db2.gz HKFZXGIXPRTUOC-SNVBAGLBSA-N 1 1 183.295 2.230 10 0 AEAEMO C[NH2+][C@H]1CC[C@@H]([N@@H+](C)CC(C)(C)C)C1 86619233 572965789 /nfs/dbraw/zinc/96/57/89/572965789.db2.gz SBDFJEDIGYKZEV-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(CC)[C@H]1CN[C@@H](CC)C[N@H+]1C 238193036 572979330 /nfs/dbraw/zinc/97/93/30/572979330.db2.gz KGLHGIZBYAIHNO-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2O)[C@H](C)C1 51734216 572979331 /nfs/dbraw/zinc/97/93/31/572979331.db2.gz DVQGHBAXWFGVPZ-KKOKHZNYSA-N 1 1 197.322 2.020 10 0 AEAEMO CCC(CC)[C@H]1C[NH2+][C@@H](CC)CN1C 238193036 572979332 /nfs/dbraw/zinc/97/93/32/572979332.db2.gz KGLHGIZBYAIHNO-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCc1ccc(=[NH+]N)c2c[nH]ccc1-2 104532029 572996129 /nfs/dbraw/zinc/99/61/29/572996129.db2.gz XXTZLUJJEMPALY-UHFFFAOYSA-N 1 1 187.246 2.083 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H](/C=C\CCO)C1 258208011 572996152 /nfs/dbraw/zinc/99/61/52/572996152.db2.gz NUHKGWJBMMNESZ-RYBZSIHZSA-N 1 1 197.322 2.045 10 0 AEAEMO CCCNc1cc(N)nc(C(C)C)[nH+]1 87908909 572996169 /nfs/dbraw/zinc/99/61/69/572996169.db2.gz SEYYCFOYWXWTGQ-UHFFFAOYSA-N 1 1 194.282 2.004 10 0 AEAEMO CC(C)(C)C[N@H+]1CCC[C@H]1CCCO 128364196 573001331 /nfs/dbraw/zinc/00/13/31/573001331.db2.gz GKPZWVOXWDYTEK-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)(C)C[N@H+]1CCC[C@@H]1CCCO 128363945 573001378 /nfs/dbraw/zinc/00/13/78/573001378.db2.gz GKPZWVOXWDYTEK-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@H]1CCC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 85418360 573011338 /nfs/dbraw/zinc/01/13/38/573011338.db2.gz FTACYQZXWNXAJU-IJLUTSLNSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[N@@H+](C(C)C)[C@]1(CN)CCC1(C)C 308474737 573013108 /nfs/dbraw/zinc/01/31/08/573013108.db2.gz DDLGALHURKJUOM-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](CN)[N@@H+](C)[C@@H]1CCCC[C@@H]1C 42606820 573017788 /nfs/dbraw/zinc/01/77/88/573017788.db2.gz OVQCRIOVQNNSAO-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)[N@@H+](C)Cc1cn[nH]c1 308483758 573020803 /nfs/dbraw/zinc/02/08/03/573020803.db2.gz OGCVPIAUEUJWMX-UHFFFAOYSA-N 1 1 181.283 2.030 10 0 AEAEMO CN1CC[C@@H]([NH2+]C2(C)CC2)CC1(C)C 1118855499 757720297 /nfs/dbraw/zinc/72/02/97/757720297.db2.gz IISQJXJAJDIXPZ-SNVBAGLBSA-N 1 1 196.338 2.001 10 0 AEAEMO CN1CC[C@H]([NH2+]C2(C)CC2)CC1(C)C 1118855491 757723043 /nfs/dbraw/zinc/72/30/43/757723043.db2.gz IISQJXJAJDIXPZ-JTQLQIEISA-N 1 1 196.338 2.001 10 0 AEAEMO CC[N@H+]1c2ccc(N)cc2CC[C@@H]1C 113689633 573023411 /nfs/dbraw/zinc/02/34/11/573023411.db2.gz POSRGSWALZIWLE-VIFPVBQESA-N 1 1 190.290 2.430 10 0 AEAEMO CC[N@@H+]1c2ccc(N)cc2CC[C@@H]1C 113689633 573023417 /nfs/dbraw/zinc/02/34/17/573023417.db2.gz POSRGSWALZIWLE-VIFPVBQESA-N 1 1 190.290 2.430 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@H]1C/C=C\CO 258227878 573023499 /nfs/dbraw/zinc/02/34/99/573023499.db2.gz PHIZPQSNWFYQFC-RNZFLTOJSA-N 1 1 197.322 2.188 10 0 AEAEMO Cc1[nH+]c(NN)[nH]c1C1CCCCC1 258526535 573023504 /nfs/dbraw/zinc/02/35/04/573023504.db2.gz HYUZMIFSQPUZPP-UHFFFAOYSA-N 1 1 194.282 2.051 10 0 AEAEMO CCCC[C@H](CC)[N@H+]1CC[C@H](N)[C@H]1C 308477455 573026278 /nfs/dbraw/zinc/02/62/78/573026278.db2.gz FHDKUQDOHBNSSD-WOPDTQHZSA-N 1 1 198.354 2.377 10 0 AEAEMO CCCCC[N@H+]1CC[NH2+][C@@H](CC)CC1 49661079 573032367 /nfs/dbraw/zinc/03/23/67/573032367.db2.gz PFIBTOJGWFJUJT-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCN1CC[NH2+][C@@H](CC)CC1 49661079 573032370 /nfs/dbraw/zinc/03/23/70/573032370.db2.gz PFIBTOJGWFJUJT-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CC[C@H]1CNc2ccc(C)[nH+]c2N1C 88037087 573050020 /nfs/dbraw/zinc/05/00/20/573050020.db2.gz OJBNVJXMBMLALL-VIFPVBQESA-N 1 1 191.278 2.030 10 0 AEAEMO C[C@@H]1C[C@H]1C[NH2+]CC(F)(F)C(F)F 308241998 573061519 /nfs/dbraw/zinc/06/15/19/573061519.db2.gz ZBYDLJMNKDJNQD-RITPCOANSA-N 1 1 199.191 2.132 10 0 AEAEMO CC[C@H](N)[C@H](C)[N@H+]1CCC[C@H](C)CC1 82489108 573070719 /nfs/dbraw/zinc/07/07/19/573070719.db2.gz CUCRGBQHZVIHFU-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)=CCNCCC[NH2+]C(C)(C)C 308489701 573073873 /nfs/dbraw/zinc/07/38/73/573073873.db2.gz BBOHCQQPVZTPAR-UHFFFAOYSA-N 1 1 198.354 2.320 10 0 AEAEMO C[C@@H]1CC(C)(C)CC[C@H]1[N@@H+](C)CCN 88132185 573076704 /nfs/dbraw/zinc/07/67/04/573076704.db2.gz IUAKVSBXXGOSTL-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)C[C@@H](N)CC1CC1 308491709 573076819 /nfs/dbraw/zinc/07/68/19/573076819.db2.gz RDFUSBWLFFWRFD-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)N(CC)C[C@@H]([NH3+])CC1CC1 308491709 573076824 /nfs/dbraw/zinc/07/68/24/573076824.db2.gz RDFUSBWLFFWRFD-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO C/C=C\CC[NH2+]c1ccc(N)c(N)c1 308498028 573083723 /nfs/dbraw/zinc/08/37/23/573083723.db2.gz YLRUBHNYRJYJOG-IHWYPQMZSA-N 1 1 191.278 2.229 10 0 AEAEMO CC[C@H](C)[N@@H+](C(C)C)[C@@H]1CCOC1 308253325 573083849 /nfs/dbraw/zinc/08/38/49/573083849.db2.gz CLSJAIDPSAGTAH-WDEREUQCSA-N 1 1 185.311 2.284 10 0 AEAEMO CC1(C)[C@H](CO)CC[N@H+]1C1CCCC1 259323699 573084063 /nfs/dbraw/zinc/08/40/63/573084063.db2.gz ILDKGOZANNYRGZ-JTQLQIEISA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H](CO)c1[nH]c(C)c(C(C)C)[nH+]1 258477668 573087975 /nfs/dbraw/zinc/08/79/75/573087975.db2.gz BDTOLQIMCAFXLO-SECBINFHSA-N 1 1 196.294 2.327 10 0 AEAEMO CC[C@H](CO)c1[nH]c(C(C)C)c(C)[nH+]1 258477668 573087979 /nfs/dbraw/zinc/08/79/79/573087979.db2.gz BDTOLQIMCAFXLO-SECBINFHSA-N 1 1 196.294 2.327 10 0 AEAEMO CC1CCC(c2cnc(C[NH3+])o2)CC1 123625272 573105988 /nfs/dbraw/zinc/10/59/88/573105988.db2.gz ZVDCHVXEEZSFHU-UHFFFAOYSA-N 1 1 194.278 2.427 10 0 AEAEMO CCCCC[N@@H+](C)Cc1cncnc1 1137663890 757882318 /nfs/dbraw/zinc/88/23/18/757882318.db2.gz RLKXQOTVWQAKIM-UHFFFAOYSA-N 1 1 193.294 2.099 10 0 AEAEMO C[C@@H](F)CC[N@@H+](C)Cc1ccco1 308262657 573106863 /nfs/dbraw/zinc/10/68/63/573106863.db2.gz ODMZENPCWCMRMN-SECBINFHSA-N 1 1 185.242 2.460 10 0 AEAEMO COc1ccc(F)cc1C[NH+]1CCC1 1138373040 757886558 /nfs/dbraw/zinc/88/65/58/757886558.db2.gz BNYGRSXNXYQHHJ-UHFFFAOYSA-N 1 1 195.237 2.040 10 0 AEAEMO CCCc1[nH]c([C@@H](CC)C[NH3+])nc1C 258528900 573109569 /nfs/dbraw/zinc/10/95/69/573109569.db2.gz IBGJCWOTJSUQCI-VIFPVBQESA-N 1 1 195.310 2.123 10 0 AEAEMO CC(C)[N@@H+](C)Cc1ccnc(F)c1 1139831173 757889359 /nfs/dbraw/zinc/88/93/59/757889359.db2.gz YHEHLSNTCHFPLV-UHFFFAOYSA-N 1 1 182.242 2.061 10 0 AEAEMO C[C@H]1CC[N@H+]1Cc1ccncc1Cl 1139845661 757889562 /nfs/dbraw/zinc/88/95/62/757889562.db2.gz JRYYPJWKVWUBBS-QMMMGPOBSA-N 1 1 196.681 2.329 10 0 AEAEMO C[C@H]1CC[N@@H+]1Cc1ccncc1Cl 1139845661 757889559 /nfs/dbraw/zinc/88/95/59/757889559.db2.gz JRYYPJWKVWUBBS-QMMMGPOBSA-N 1 1 196.681 2.329 10 0 AEAEMO CC[N@@H+](C)Cc1ccc(COC)s1 1139823938 757889762 /nfs/dbraw/zinc/88/97/62/757889762.db2.gz JTNGBPPDPXUAFL-UHFFFAOYSA-N 1 1 199.319 2.346 10 0 AEAEMO C[C@@H]1CCC[N@H+]1Cc1ccnc(F)c1 1139830657 757889958 /nfs/dbraw/zinc/88/99/58/757889958.db2.gz IAQKFERHBJVWCX-SECBINFHSA-N 1 1 194.253 2.205 10 0 AEAEMO C[C@H]1CCC[N@H+]1Cc1ccnc(F)c1 1139830658 757890823 /nfs/dbraw/zinc/89/08/23/757890823.db2.gz IAQKFERHBJVWCX-VIFPVBQESA-N 1 1 194.253 2.205 10 0 AEAEMO Cc1cnc(C[N@H+]2CC[C@@H]2C)s1 1139809212 757891342 /nfs/dbraw/zinc/89/13/42/757891342.db2.gz RXDFOCQZEOIMKX-ZETCQYMHSA-N 1 1 182.292 2.046 10 0 AEAEMO Cc1cnc(C[N@@H+]2CC[C@@H]2C)s1 1139809212 757891344 /nfs/dbraw/zinc/89/13/44/757891344.db2.gz RXDFOCQZEOIMKX-ZETCQYMHSA-N 1 1 182.292 2.046 10 0 AEAEMO C[N@@H+](Cc1ccnc(F)c1)C(C)(C)C 1139832324 757891745 /nfs/dbraw/zinc/89/17/45/757891745.db2.gz ALKIYEHYMMYVNQ-UHFFFAOYSA-N 1 1 196.269 2.451 10 0 AEAEMO C[C@@H]1CC[N@@H+]1Cc1ccncc1Cl 1139845660 757892107 /nfs/dbraw/zinc/89/21/07/757892107.db2.gz JRYYPJWKVWUBBS-MRVPVSSYSA-N 1 1 196.681 2.329 10 0 AEAEMO C[C@@H]1CC[N@H+]1Cc1ccncc1Cl 1139845660 757892114 /nfs/dbraw/zinc/89/21/14/757892114.db2.gz JRYYPJWKVWUBBS-MRVPVSSYSA-N 1 1 196.681 2.329 10 0 AEAEMO Cc1cnc(C[N@H+]2CC[C@H]2C)s1 1139809211 757892245 /nfs/dbraw/zinc/89/22/45/757892245.db2.gz RXDFOCQZEOIMKX-SSDOTTSWSA-N 1 1 182.292 2.046 10 0 AEAEMO Cc1cnc(C[N@@H+]2CC[C@H]2C)s1 1139809211 757892246 /nfs/dbraw/zinc/89/22/46/757892246.db2.gz RXDFOCQZEOIMKX-SSDOTTSWSA-N 1 1 182.292 2.046 10 0 AEAEMO CC(=O)C(C)(C)C[N@@H+]1CCC[C@@H]1C 85677033 573112624 /nfs/dbraw/zinc/11/26/24/573112624.db2.gz AQTJOHAYEQXUCT-VIFPVBQESA-N 1 1 183.295 2.086 10 0 AEAEMO CCC(CC)[N@@H+](C)Cc1ccncn1 1140348036 757899412 /nfs/dbraw/zinc/89/94/12/757899412.db2.gz HGGXOIUTOWUICW-UHFFFAOYSA-N 1 1 193.294 2.097 10 0 AEAEMO C[C@@H]1CCCC[N@@H+]1CC(C)(C)[C@@H](C)O 85679857 573117765 /nfs/dbraw/zinc/11/77/65/573117765.db2.gz XARVRQUYIOQRCI-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H](C)[N@@H+](CCO)C1CCCC1 233333940 573121838 /nfs/dbraw/zinc/12/18/38/573121838.db2.gz GJCLJVXGMWCGHO-NSHDSACASA-N 1 1 199.338 2.412 10 0 AEAEMO C/C=C\C[N@@H+]1CCC[C@H](OC)CC1 308503023 573146745 /nfs/dbraw/zinc/14/67/45/573146745.db2.gz XVZTYXYBRQNMHO-BYCRGOAPSA-N 1 1 183.295 2.063 10 0 AEAEMO CCC[C@H]([NH3+])c1[nH]ccc2nccc1-2 89220562 573146872 /nfs/dbraw/zinc/14/68/72/573146872.db2.gz VXTSATDLSSBMKL-VIFPVBQESA-N 1 1 189.262 2.363 10 0 AEAEMO CC(=O)[C@H]1CCCC[N@@H+]1CC=C(C)C 82645169 573146873 /nfs/dbraw/zinc/14/68/73/573146873.db2.gz UQUADNYWMJNJDI-GFCCVEGCSA-N 1 1 195.306 2.396 10 0 AEAEMO CC(C)OCC[N@@H+](C)CCCCF 308287822 573148287 /nfs/dbraw/zinc/14/82/87/573148287.db2.gz ZVOOTSGWNGBPTA-UHFFFAOYSA-N 1 1 191.290 2.093 10 0 AEAEMO CCn1ccc(C[N@@H+](C)C2CC2)c1 308284247 573152641 /nfs/dbraw/zinc/15/26/41/573152641.db2.gz ZPVJRDXWCITKDX-UHFFFAOYSA-N 1 1 178.279 2.102 10 0 AEAEMO Cc1ccccc1N[C@@H]1CCC[N@H+]1C 238291617 573152646 /nfs/dbraw/zinc/15/26/46/573152646.db2.gz ITGQVQHLTUIIEL-LBPRGKRZSA-N 1 1 190.290 2.459 10 0 AEAEMO Cc1ccccc1N[C@@H]1CCC[N@@H+]1C 238291617 573152653 /nfs/dbraw/zinc/15/26/53/573152653.db2.gz ITGQVQHLTUIIEL-LBPRGKRZSA-N 1 1 190.290 2.459 10 0 AEAEMO CNc1[nH]c(C)c(-c2ccco2)[nH+]1 258559316 573160099 /nfs/dbraw/zinc/16/00/99/573160099.db2.gz LQPHIIPLFZHFDH-UHFFFAOYSA-N 1 1 177.207 2.020 10 0 AEAEMO CC(C)[C@H]1CCCC[C@@H]1[N@@H+](C)CCN 125789467 573163950 /nfs/dbraw/zinc/16/39/50/573163950.db2.gz CONMKQPQPPXWOD-NEPJUHHUSA-N 1 1 198.354 2.092 10 0 AEAEMO C[NH+](C)[C@H](c1ncc[nH]1)C(C)(C)C 238297389 573163996 /nfs/dbraw/zinc/16/39/96/573163996.db2.gz UGWJYLRVCTZCPU-MRVPVSSYSA-N 1 1 181.283 2.059 10 0 AEAEMO CC(C)[C@@H]1CCCC[C@H]1[N@@H+](C)CCN 125789573 573164079 /nfs/dbraw/zinc/16/40/79/573164079.db2.gz CONMKQPQPPXWOD-NWDGAFQWSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)[C@H](C)C[N@H+]1CCCC[C@@H]1CN 308511869 573166353 /nfs/dbraw/zinc/16/63/53/573166353.db2.gz KEGBUAKVHLAKFC-VXGBXAGGSA-N 1 1 198.354 2.092 10 0 AEAEMO C/C=C\C[NH2+][C@@H](C)c1nnc(C)s1 308300432 573166384 /nfs/dbraw/zinc/16/63/84/573166384.db2.gz LRDWUMUVDMAIKC-MJSGSUOKSA-N 1 1 197.307 2.073 10 0 AEAEMO CCc1nc(NCCCF)cc(C)[nH+]1 308511150 573166488 /nfs/dbraw/zinc/16/64/88/573166488.db2.gz CEUIPVRHYKURAI-UHFFFAOYSA-N 1 1 197.257 2.119 10 0 AEAEMO CC[C@@](C)([C@H](C)NC)[N@H+](C)CC1CC1 308508552 573170761 /nfs/dbraw/zinc/17/07/61/573170761.db2.gz AXLRDSFVXKOCQG-JQWIXIFHSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@](C)([C@H](C)NC)[N@@H+](C)CC1CC1 308508552 573170766 /nfs/dbraw/zinc/17/07/66/573170766.db2.gz AXLRDSFVXKOCQG-JQWIXIFHSA-N 1 1 198.354 2.105 10 0 AEAEMO COc1cccc(C[NH+]2CCC2)c1F 1141218466 757985336 /nfs/dbraw/zinc/98/53/36/757985336.db2.gz QBULYSODSNZIKB-UHFFFAOYSA-N 1 1 195.237 2.040 10 0 AEAEMO C[C@H]1CCC[N@@H+](CCC(C)(C)[NH3+])[C@@H]1C 82773320 573182863 /nfs/dbraw/zinc/18/28/63/573182863.db2.gz ZABXXIYSESVXPA-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC1([NH2+]C[C@@H](N)CC2CC2)CCC1 308513999 573186689 /nfs/dbraw/zinc/18/66/89/573186689.db2.gz DJOXLNSXRGSQGC-NSHDSACASA-N 1 1 196.338 2.036 10 0 AEAEMO CC[C@@H](C)N1CCC(C)(C)[C@@H]([NH2+]C)C1 259363094 573189168 /nfs/dbraw/zinc/18/91/68/573189168.db2.gz UMVGKFUHBGSETG-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO C=Cc1cc(C)c[nH+]c1NC 104692534 573189300 /nfs/dbraw/zinc/18/93/00/573189300.db2.gz JJKRAXNITYASPZ-UHFFFAOYSA-N 1 1 148.209 2.075 10 0 AEAEMO CC[C@H](C)N1CCC(C)(C)[C@@H]([NH2+]C)C1 259363095 573192575 /nfs/dbraw/zinc/19/25/75/573192575.db2.gz UMVGKFUHBGSETG-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CCOc1cccc(O)c1C(C)=[NH2+] 238301724 573192588 /nfs/dbraw/zinc/19/25/88/573192588.db2.gz SNHURUQYEBAIKB-UHFFFAOYSA-N 1 1 179.219 2.179 10 0 AEAEMO CC1([NH2+]CC2(N)CCCC2)CCCC1 82785877 573192841 /nfs/dbraw/zinc/19/28/41/573192841.db2.gz XUJRMFOXVCPXIJ-UHFFFAOYSA-N 1 1 196.338 2.180 10 0 AEAEMO C/C=C/C[N@@H+](C(C)C)[C@@H]1CCOC1 308302553 573192934 /nfs/dbraw/zinc/19/29/34/573192934.db2.gz MRDJOWCAGYOHSI-SGUJLRQBSA-N 1 1 183.295 2.062 10 0 AEAEMO C/C=C\C[N@@H+](C(C)C)[C@H]1CCOC1 308302554 573192993 /nfs/dbraw/zinc/19/29/93/573192993.db2.gz MRDJOWCAGYOHSI-WYGGZMRJSA-N 1 1 183.295 2.062 10 0 AEAEMO C[NH2+][C@H](c1cc(C)ccc1C)N(C)C 259366861 573194045 /nfs/dbraw/zinc/19/40/45/573194045.db2.gz GCOZXEFZQSZBML-LBPRGKRZSA-N 1 1 192.306 2.083 10 0 AEAEMO C[C@H]1CC[N@H+](C2(C)CCCC2)CCN1 82785663 573194054 /nfs/dbraw/zinc/19/40/54/573194054.db2.gz HYPQNNZJKKHCSW-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@@H]1CC(=O)CC[N@H+]1C1(C)CCCC1 82785579 573194096 /nfs/dbraw/zinc/19/40/96/573194096.db2.gz QUOKIRFLRVTFRK-SNVBAGLBSA-N 1 1 195.306 2.373 10 0 AEAEMO CC(=O)C[C@H](C)[N@H+]1CCC[C@@H](C)CC1 82792730 573198906 /nfs/dbraw/zinc/19/89/06/573198906.db2.gz PQMXQGIHZLLKBL-MNOVXSKESA-N 1 1 197.322 2.476 10 0 AEAEMO CC(=O)C[C@H](C)c1cc(C)c[nH+]c1N 82806955 573205030 /nfs/dbraw/zinc/20/50/30/573205030.db2.gz HKNFYJGVCWSWEJ-QMMMGPOBSA-N 1 1 192.262 2.055 10 0 AEAEMO C[C@@H](C[C@@H](C)O)[N@H+]1CCCC1(C)C 82815202 573208189 /nfs/dbraw/zinc/20/81/89/573208189.db2.gz HFWVASNENMXSED-VHSXEESVSA-N 1 1 185.311 2.020 10 0 AEAEMO C[C@H](O)C[C@H](C)[N@H+]1CCCC1(C)C 82815204 573208242 /nfs/dbraw/zinc/20/82/42/573208242.db2.gz HFWVASNENMXSED-UWVGGRQHSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@H](C)c1ccc(C(=O)C[NH3+])s1 107188045 573208400 /nfs/dbraw/zinc/20/84/00/573208400.db2.gz GXORNBUWDWPEOB-ZETCQYMHSA-N 1 1 197.303 2.403 10 0 AEAEMO Cc1nc(C[N@H+]2CC[C@H]2C)sc1C 1144359690 758145634 /nfs/dbraw/zinc/14/56/34/758145634.db2.gz KGMTYMMDCGROPI-SSDOTTSWSA-N 1 1 196.319 2.354 10 0 AEAEMO Cc1nc(C[N@@H+]2CC[C@H]2C)sc1C 1144359690 758145639 /nfs/dbraw/zinc/14/56/39/758145639.db2.gz KGMTYMMDCGROPI-SSDOTTSWSA-N 1 1 196.319 2.354 10 0 AEAEMO Cc1nc(C[N@H+]2CC[C@@H]2C)sc1C 1144359691 758149213 /nfs/dbraw/zinc/14/92/13/758149213.db2.gz KGMTYMMDCGROPI-ZETCQYMHSA-N 1 1 196.319 2.354 10 0 AEAEMO Cc1nc(C[N@@H+]2CC[C@@H]2C)sc1C 1144359691 758149239 /nfs/dbraw/zinc/14/92/39/758149239.db2.gz KGMTYMMDCGROPI-ZETCQYMHSA-N 1 1 196.319 2.354 10 0 AEAEMO CCC[N@@H+](C)[C@H]1[C@@H](N)C[C@@H](C)C[C@H]1C 82829699 573218462 /nfs/dbraw/zinc/21/84/62/573218462.db2.gz URJNUSBJJZIEPI-WHOHXGKFSA-N 1 1 198.354 2.090 10 0 AEAEMO CCCN(C)[C@H]1[C@@H]([NH3+])C[C@@H](C)C[C@H]1C 82829699 573218468 /nfs/dbraw/zinc/21/84/68/573218468.db2.gz URJNUSBJJZIEPI-WHOHXGKFSA-N 1 1 198.354 2.090 10 0 AEAEMO CSCCC[N@@H+](C)Cc1cc[nH]c1 308316332 573219246 /nfs/dbraw/zinc/21/92/46/573219246.db2.gz XCAPTFDJVHMDMW-UHFFFAOYSA-N 1 1 198.335 2.200 10 0 AEAEMO CC[N@@H+](C)C1(CN)C[C@@H](C)C[C@H](C)C1 82830850 573220750 /nfs/dbraw/zinc/22/07/50/573220750.db2.gz TYSNEAQUUIXKGI-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO COC[C@H](C)[N@@H+](C)[C@H]1CC[C@@H](C)C1 308318854 573220897 /nfs/dbraw/zinc/22/08/97/573220897.db2.gz YXCRAXOPEXESPN-VWYCJHECSA-N 1 1 185.311 2.142 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC[C@H](O)C1(C)C 259381699 573220976 /nfs/dbraw/zinc/22/09/76/573220976.db2.gz LHGNXNPRBIZCEP-UWVGGRQHSA-N 1 1 185.311 2.020 10 0 AEAEMO CCC[N@@H+](C1CC1)[C@@](C)(CC)[C@H](C)N 308518439 573223959 /nfs/dbraw/zinc/22/39/59/573223959.db2.gz GJWZAINLCMJYND-JQWIXIFHSA-N 1 1 198.354 2.377 10 0 AEAEMO CCC(C)(C)C[N@@H+](C)[C@H](C)COC 308317788 573224091 /nfs/dbraw/zinc/22/40/91/573224091.db2.gz WRPQMLJUBRROFQ-SNVBAGLBSA-N 1 1 187.327 2.389 10 0 AEAEMO CCCN(CC(C)C)[C@H](CC)C(N)=[NH2+] 308519424 573224155 /nfs/dbraw/zinc/22/41/55/573224155.db2.gz WUWOMANZLIZVHV-SNVBAGLBSA-N 1 1 199.342 2.069 10 0 AEAEMO COC[C@H](C)[N@@H+](C)[C@@H]1CC[C@@H](C)C1 308318853 573224361 /nfs/dbraw/zinc/22/43/61/573224361.db2.gz YXCRAXOPEXESPN-OUAUKWLOSA-N 1 1 185.311 2.142 10 0 AEAEMO COC[C@H](C)[N@@H+](C)[C@@H]1CC[C@H](C)C1 308318635 573224676 /nfs/dbraw/zinc/22/46/76/573224676.db2.gz YXCRAXOPEXESPN-GARJFASQSA-N 1 1 185.311 2.142 10 0 AEAEMO CC(C)C[N@H+]1CC[C@H](CO)CC1(C)C 259386991 573227665 /nfs/dbraw/zinc/22/76/65/573227665.db2.gz LOFQPCGWLFWHLO-NSHDSACASA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H]1CC1(O)CCC1 257975647 573227667 /nfs/dbraw/zinc/22/76/67/573227667.db2.gz KKVSTAXQZZKCQL-NSHDSACASA-N 1 1 197.322 2.164 10 0 AEAEMO CC(=O)C(C)(C)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86012151 573227972 /nfs/dbraw/zinc/22/79/72/573227972.db2.gz PBOYKGNSSKWKPR-AOOOYVTPSA-N 1 1 197.322 2.189 10 0 AEAEMO CC[C@H](C)[N@H+]1CCCC[C@@H]1CCO 50104815 573227996 /nfs/dbraw/zinc/22/79/96/573227996.db2.gz GUKGZGRQLNUPFW-WDEREUQCSA-N 1 1 185.311 2.022 10 0 AEAEMO CCCC[N@@H+](CCO)C1CCCC1 50106146 573228072 /nfs/dbraw/zinc/22/80/72/573228072.db2.gz BYRXZUNWRFFASW-UHFFFAOYSA-N 1 1 185.311 2.023 10 0 AEAEMO C[C@@H]1C[N@@H+]([C@@H]2CCCCC2=O)C[C@@H]1C 86010845 573229435 /nfs/dbraw/zinc/22/94/35/573229435.db2.gz FQMHHNIIDILXBH-OUAUKWLOSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@H](C)[N@@H+](CCO)C1CCCCC1 50106377 573229507 /nfs/dbraw/zinc/22/95/07/573229507.db2.gz KYDLJIHLGZYOCL-NSHDSACASA-N 1 1 199.338 2.412 10 0 AEAEMO CCCCC[N@@H+](CCO)C1CCCC1 50106728 573229608 /nfs/dbraw/zinc/22/96/08/573229608.db2.gz BLWHRYCMZMNOHG-UHFFFAOYSA-N 1 1 199.338 2.414 10 0 AEAEMO CC[C@@H](C)[N@@H+](CCO)C1CCCC1 50106595 573229622 /nfs/dbraw/zinc/22/96/22/573229622.db2.gz GNYBEUKIFACODY-SNVBAGLBSA-N 1 1 185.311 2.022 10 0 AEAEMO C[C@H]1C[C@H]([N@@H+]2CCC(=O)C2)CC[C@H]1C 82846505 573229635 /nfs/dbraw/zinc/22/96/35/573229635.db2.gz CBXYHDZNCAOLKS-OUAUKWLOSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@H]1C[C@H]([N@H+]2CCC(=O)C2)CC[C@H]1C 82846505 573229640 /nfs/dbraw/zinc/22/96/40/573229640.db2.gz CBXYHDZNCAOLKS-OUAUKWLOSA-N 1 1 195.306 2.086 10 0 AEAEMO CCC[C@H](C)[N@@H+]1C[C@H](C)[C@](C)(CN)C1 308520732 573229748 /nfs/dbraw/zinc/22/97/48/573229748.db2.gz XRTRNEJRKMILTO-SDDRHHMPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H](C)[N@H+]1C[C@H](C)[C@](C)(CN)C1 308520732 573229752 /nfs/dbraw/zinc/22/97/52/573229752.db2.gz XRTRNEJRKMILTO-SDDRHHMPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(CC)C[N@@H+](C)[C@H](C)CC[NH3+] 129106126 573229836 /nfs/dbraw/zinc/22/98/36/573229836.db2.gz GNEPCRABBWVULQ-SNVBAGLBSA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@H](C)[N@@H+](CCO)C1CCCC1 50106596 573229846 /nfs/dbraw/zinc/22/98/46/573229846.db2.gz GNYBEUKIFACODY-JTQLQIEISA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[N@@H+](CC(C)C)[C@H]1CCC[C@H]1O 308524419 573234381 /nfs/dbraw/zinc/23/43/81/573234381.db2.gz ZWUNVYBHZXHBRX-NWDGAFQWSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@](C)(CN)[N@@H+](C)CC1CCCC1 50091273 573234560 /nfs/dbraw/zinc/23/45/60/573234560.db2.gz VZYDNINVJFQDQV-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO Oc1c(F)ccc([C@@H]2CCC[NH2+]2)c1F 258242964 573234599 /nfs/dbraw/zinc/23/45/99/573234599.db2.gz WYFPXZXFAVMUGU-QMMMGPOBSA-N 1 1 199.200 2.095 10 0 AEAEMO CCC[N@@H+](CC(C)C)C(C)(C)CN 50091179 573234716 /nfs/dbraw/zinc/23/47/16/573234716.db2.gz ZJNZWPSGWXSUDL-UHFFFAOYSA-N 1 1 186.343 2.092 10 0 AEAEMO CCCC[N@H+]1CCC[C@H](CO)C1(C)C 259389414 573235012 /nfs/dbraw/zinc/23/50/12/573235012.db2.gz LQVJEQNTAFRQEQ-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CCCC[N@H+]1CCC[C@@H](CO)C1(C)C 259389420 573235339 /nfs/dbraw/zinc/23/53/39/573235339.db2.gz LQVJEQNTAFRQEQ-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H](C)[N@@H+](C)CC(C)(C)CCO 308316230 573235347 /nfs/dbraw/zinc/23/53/47/573235347.db2.gz VOSSESHSLXKYJM-JTQLQIEISA-N 1 1 187.327 2.125 10 0 AEAEMO CC[C@@H]([NH3+])Cc1cc([C@H](C)CC)[nH]n1 308526586 573235817 /nfs/dbraw/zinc/23/58/17/573235817.db2.gz IYNDCBSEBHNGGG-RKDXNWHRSA-N 1 1 195.310 2.203 10 0 AEAEMO Oc1c(F)ccc([C@H]2CCC[NH2+]2)c1F 258242960 573235913 /nfs/dbraw/zinc/23/59/13/573235913.db2.gz WYFPXZXFAVMUGU-MRVPVSSYSA-N 1 1 199.200 2.095 10 0 AEAEMO CCCC[N@@H+](CCC)C(C)(C)CN 50091181 573236022 /nfs/dbraw/zinc/23/60/22/573236022.db2.gz RXTODGLKSIXAQH-UHFFFAOYSA-N 1 1 186.343 2.236 10 0 AEAEMO CCC[N@H+](CC1(NC)CCC1)C(C)C 308529103 573238762 /nfs/dbraw/zinc/23/87/62/573238762.db2.gz QFUVPQIZJNRESO-UHFFFAOYSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@@H+](CC1(NC)CCC1)C(C)C 308529103 573238767 /nfs/dbraw/zinc/23/87/67/573238767.db2.gz QFUVPQIZJNRESO-UHFFFAOYSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)CCC[N@@H+](C)[C@@H]1CCC[C@H]1N 259042435 573238812 /nfs/dbraw/zinc/23/88/12/573238812.db2.gz PJKZQOIILKKSHR-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCCN(C)[C@@H]1CCC[C@H]1[NH3+] 259042435 573238819 /nfs/dbraw/zinc/23/88/19/573238819.db2.gz PJKZQOIILKKSHR-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@]1(CN)CC[C@@H]1C 308528262 573239024 /nfs/dbraw/zinc/23/90/24/573239024.db2.gz JTYXPIHMIRVEFK-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[N@@H+](C)CCCCCCCO 308326016 573242203 /nfs/dbraw/zinc/24/22/03/573242203.db2.gz FXOHAZMPGZHKPC-UHFFFAOYSA-N 1 1 187.327 2.269 10 0 AEAEMO CCCC[C@@]1(O)CC[N@H+]2CCCC[C@@H]21 123900784 573242590 /nfs/dbraw/zinc/24/25/90/573242590.db2.gz XWEFSGDCHFDFLG-VXGBXAGGSA-N 1 1 197.322 2.166 10 0 AEAEMO C[C@H]([NH2+]c1ccc(N)c(N)c1)C1CC1 235554120 573243725 /nfs/dbraw/zinc/24/37/25/573243725.db2.gz LASCATBVRFGJND-ZETCQYMHSA-N 1 1 191.278 2.061 10 0 AEAEMO C[N@@H+](Cc1ccc(N)cc1F)C1CC1 82864738 573245437 /nfs/dbraw/zinc/24/54/37/573245437.db2.gz RCXGJHHUAFDQFL-UHFFFAOYSA-N 1 1 194.253 2.002 10 0 AEAEMO CC[C@@H](C)[C@H](C)[N@@H+](C)CCCOC 308320460 573245703 /nfs/dbraw/zinc/24/57/03/573245703.db2.gz YGQVAGPYNVKITF-MNOVXSKESA-N 1 1 187.327 2.389 10 0 AEAEMO CC[C@H](C)n1c[nH+]c(C)c1C 123908592 573249777 /nfs/dbraw/zinc/24/97/77/573249777.db2.gz SWGSVXCKDPRBGG-ZETCQYMHSA-N 1 1 152.241 2.471 10 0 AEAEMO Cc1[nH+]cc(CSC(C)C)n1C 258247889 573249357 /nfs/dbraw/zinc/24/93/57/573249357.db2.gz RBLZVQVIOQUNDY-UHFFFAOYSA-N 1 1 184.308 2.370 10 0 AEAEMO C[C@H]1CC(=O)CC[N@H+]1CC1(C)CCC1 235551805 573249459 /nfs/dbraw/zinc/24/94/59/573249459.db2.gz BLGOSSPIIVGWGK-JTQLQIEISA-N 1 1 195.306 2.230 10 0 AEAEMO CCCC[C@@H]1C[NH2+]C[C@@H](CCCC)N1 238795051 573249474 /nfs/dbraw/zinc/24/94/74/573249474.db2.gz BWCIPSJIQBIVMP-VXGBXAGGSA-N 1 1 198.354 2.297 10 0 AEAEMO CN[C@@H]1C[N@@H+](C2CCCC2)C(C)(C)C1 259392259 573249601 /nfs/dbraw/zinc/24/96/01/573249601.db2.gz LVNRXACATRFRHF-JTQLQIEISA-N 1 1 196.338 2.001 10 0 AEAEMO C[NH2+][C@@H]1CN(C2CCCC2)C(C)(C)C1 259392259 573249607 /nfs/dbraw/zinc/24/96/07/573249607.db2.gz LVNRXACATRFRHF-JTQLQIEISA-N 1 1 196.338 2.001 10 0 AEAEMO CC(C)C[C@]1(O)CC[N@H+]2CCCC[C@@H]21 123907521 573249663 /nfs/dbraw/zinc/24/96/63/573249663.db2.gz PQOPQENLQUXKRX-VXGBXAGGSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H](C)[N@@H+](CCCF)CCOC 308323055 573249723 /nfs/dbraw/zinc/24/97/23/573249723.db2.gz ZXFXSKBZGBUTCC-SNVBAGLBSA-N 1 1 191.290 2.093 10 0 AEAEMO CC[C@H](C)[N@@H+](CCCF)CCOC 308323053 573250930 /nfs/dbraw/zinc/25/09/30/573250930.db2.gz ZXFXSKBZGBUTCC-JTQLQIEISA-N 1 1 191.290 2.093 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)[C@](C)(CN)C1CCC1 393578655 573253880 /nfs/dbraw/zinc/25/38/80/573253880.db2.gz CLUGKXGJJRMVEF-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@](C)(CN)C1CCC1 393578650 573255477 /nfs/dbraw/zinc/25/54/77/573255477.db2.gz CLUGKXGJJRMVEF-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)[C@@](C)(CN)C1CCC1 393578653 573255510 /nfs/dbraw/zinc/25/55/10/573255510.db2.gz CLUGKXGJJRMVEF-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+](C)[C@H](C)C1CCOCC1 308328360 573255802 /nfs/dbraw/zinc/25/58/02/573255802.db2.gz HBYCZVNFJBLJFE-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@H](CN)[N@@H+](C)[C@@H](C)C(C)(C)C 42741865 573255821 /nfs/dbraw/zinc/25/58/21/573255821.db2.gz KHRNSWPKHBRNKF-VHSXEESVSA-N 1 1 186.343 2.090 10 0 AEAEMO C[C@H](N)[C@@H](C)[N@@H+](C)[C@@H](C)C(C)(C)C 42747598 573256812 /nfs/dbraw/zinc/25/68/12/573256812.db2.gz NIITUMNHBFGDKL-AEJSXWLSSA-N 1 1 186.343 2.089 10 0 AEAEMO C[C@H]([NH3+])[C@@H](C)N(C)[C@@H](C)C(C)(C)C 42747598 573256816 /nfs/dbraw/zinc/25/68/16/573256816.db2.gz NIITUMNHBFGDKL-AEJSXWLSSA-N 1 1 186.343 2.089 10 0 AEAEMO CCc1[nH+]ccn1[C@@H]1CCSC1 221317744 573256847 /nfs/dbraw/zinc/25/68/47/573256847.db2.gz WGLSWJONMRGIBU-MRVPVSSYSA-N 1 1 182.292 2.124 10 0 AEAEMO CC[C@H](C)[C@@]1(O)CC[N@H+]2CCCC[C@@H]21 123916050 573257038 /nfs/dbraw/zinc/25/70/38/573257038.db2.gz BLLFCFWLOCBGQR-TUAOUCFPSA-N 1 1 197.322 2.022 10 0 AEAEMO CC1(C)[C@H](N)CCC[N@H+]1C1CCCC1 259397429 573257342 /nfs/dbraw/zinc/25/73/42/573257342.db2.gz MCNVKHREFGNITQ-LLVKDONJSA-N 1 1 196.338 2.131 10 0 AEAEMO CC[C@H](C)[C@]1(O)CC[N@H+]2CCCC[C@@H]21 123915624 573258094 /nfs/dbraw/zinc/25/80/94/573258094.db2.gz BLLFCFWLOCBGQR-QJPTWQEYSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCC[C@@H](C)[N@H+]1CCC(=O)[C@H](C)C1 50888973 573259970 /nfs/dbraw/zinc/25/99/70/573259970.db2.gz OXDZUQFXGFVKGH-GHMZBOCLSA-N 1 1 197.322 2.476 10 0 AEAEMO Cc1c[nH+]cn1C1CCSCC1 221317669 573261155 /nfs/dbraw/zinc/26/11/55/573261155.db2.gz BQLGYEFQHOECQI-UHFFFAOYSA-N 1 1 182.292 2.260 10 0 AEAEMO Cc1[nH+]ccn1[C@@H]1CCCSC1 221317356 573261450 /nfs/dbraw/zinc/26/14/50/573261450.db2.gz GFISWCQHAKDPNZ-SECBINFHSA-N 1 1 182.292 2.260 10 0 AEAEMO CCC[N@@H+](CC1CC1)C[C@@H](CC)NC 50179572 573270248 /nfs/dbraw/zinc/27/02/48/573270248.db2.gz XRENOEPHZADHQI-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[N@H+](CC1CC1)C[C@@H](CC)NC 50179572 573270257 /nfs/dbraw/zinc/27/02/57/573270257.db2.gz XRENOEPHZADHQI-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO C[N@@H+](Cc1cc(Cl)ccn1)C1CC1 86129526 573270267 /nfs/dbraw/zinc/27/02/67/573270267.db2.gz YKPBCOZFJAMSLY-UHFFFAOYSA-N 1 1 196.681 2.329 10 0 AEAEMO CCC(=O)C[N@@H+](C)C1CCCCC1 50179699 573270450 /nfs/dbraw/zinc/27/04/50/573270450.db2.gz BRFSAJJEZNJURT-UHFFFAOYSA-N 1 1 183.295 2.230 10 0 AEAEMO CCc1[nH+]ccn1CCCC(F)F 688737905 573270822 /nfs/dbraw/zinc/27/08/22/573270822.db2.gz IQNAPHFEGGAAQJ-UHFFFAOYSA-N 1 1 188.221 2.491 10 0 AEAEMO CCCC(F)(F)[C@@H](C)[NH2+]C 258617291 573270875 /nfs/dbraw/zinc/27/08/75/573270875.db2.gz WJTLBTNEVASNAR-ZCFIWIBFSA-N 1 1 151.200 2.030 10 0 AEAEMO CC[C@@H]([NH3+])C1(N(C)C)CCC(C)CC1 74236731 573271003 /nfs/dbraw/zinc/27/10/03/573271003.db2.gz RPJROKBZCNSMLP-MOENNCHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(=O)C[N@@H+](C)CC1CCCCC1 50179973 573272853 /nfs/dbraw/zinc/27/28/53/573272853.db2.gz VUSVGHBWWQQWDH-UHFFFAOYSA-N 1 1 197.322 2.478 10 0 AEAEMO CC[C@@H](C[N@H+](CC)C1CCCC1)NC 50179267 573272887 /nfs/dbraw/zinc/27/28/87/573272887.db2.gz CSQDWVKRBBVPAE-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](C[N@@H+](CC)C1CCCC1)NC 50179267 573272893 /nfs/dbraw/zinc/27/28/93/573272893.db2.gz CSQDWVKRBBVPAE-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C[N@@H+]1[C@@H](C)CCC[C@H]1C)NC 50166465 573272925 /nfs/dbraw/zinc/27/29/25/573272925.db2.gz QGSQNDQWOXETKR-GRYCIOLGSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](C[N@H+]1[C@@H](C)CCC[C@H]1C)NC 50166465 573272931 /nfs/dbraw/zinc/27/29/31/573272931.db2.gz QGSQNDQWOXETKR-GRYCIOLGSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](C[N@H+](CC)C1CCCC1)NC 50179268 573272983 /nfs/dbraw/zinc/27/29/83/573272983.db2.gz CSQDWVKRBBVPAE-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C[N@@H+](CC)C1CCCC1)NC 50179268 573272988 /nfs/dbraw/zinc/27/29/88/573272988.db2.gz CSQDWVKRBBVPAE-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[N@H+](CC(C)(C)CN)[C@H]1CC[C@H]1C 308535213 573273112 /nfs/dbraw/zinc/27/31/12/573273112.db2.gz MAHFGVUNLJZLMI-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](CC(C)(C)CN)[C@H]1CC[C@H]1C 308535213 573273117 /nfs/dbraw/zinc/27/31/17/573273117.db2.gz MAHFGVUNLJZLMI-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H]([NH3+])C1(N(C)C)CCCCCC1 74236724 573273337 /nfs/dbraw/zinc/27/33/37/573273337.db2.gz MTWCVLLDKBUADC-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO COC[C@@H]1CCC[N@H+]1C1CCCC1 238330480 573276142 /nfs/dbraw/zinc/27/61/42/573276142.db2.gz PAHWSQVFMIJPCR-NSHDSACASA-N 1 1 183.295 2.040 10 0 AEAEMO [NH3+]Cc1nc([C@H]2CCCCS2)co1 257990242 573276238 /nfs/dbraw/zinc/27/62/38/573276238.db2.gz FGIDXAIZMMPTGR-MRVPVSSYSA-N 1 1 198.291 2.092 10 0 AEAEMO Cc1[nH]c(-c2ccc(F)cc2)c(N)[nH+]1 105866609 573277271 /nfs/dbraw/zinc/27/72/71/573277271.db2.gz AUYNWIWAIUMRQC-UHFFFAOYSA-N 1 1 191.209 2.106 10 0 AEAEMO CC(C)C(CN)(C(C)C)[N@@H+](C)C1CC1 308536376 573279525 /nfs/dbraw/zinc/27/95/25/573279525.db2.gz LJKYVTDYJGAHQK-UHFFFAOYSA-N 1 1 198.354 2.090 10 0 AEAEMO CCc1nc(C[NH3+])oc1C1CCCC1 74246140 573281256 /nfs/dbraw/zinc/28/12/56/573281256.db2.gz FZYOZNPEUYAQEJ-UHFFFAOYSA-N 1 1 194.278 2.353 10 0 AEAEMO C[C@H]1SCC[C@H]1[NH2+]CC(C)(F)F 642830421 573281622 /nfs/dbraw/zinc/28/16/22/573281622.db2.gz FBNFBXSKEVNJRT-RNFRBKRXSA-N 1 1 195.278 2.125 10 0 AEAEMO CCC(CC)C[C@@]1(O)C[C@@H](C)[N@@H+](C)C1 129414424 573281930 /nfs/dbraw/zinc/28/19/30/573281930.db2.gz RFAOCFWDFNSYSF-PWSUYJOCSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCC(CCC)[N@H+]1CC[C@@H](N)[C@H]1C 308538361 573283606 /nfs/dbraw/zinc/28/36/06/573283606.db2.gz MYCFDRJYYBYGPO-ZYHUDNBSSA-N 1 1 198.354 2.377 10 0 AEAEMO C[C@H]1SCC[C@@H]1[NH2+]CC(C)(F)F 642830422 573283962 /nfs/dbraw/zinc/28/39/62/573283962.db2.gz FBNFBXSKEVNJRT-RQJHMYQMSA-N 1 1 195.278 2.125 10 0 AEAEMO Cc1csc([C@H]2CC(=O)CC[NH2+]2)c1 74243245 573284435 /nfs/dbraw/zinc/28/44/35/573284435.db2.gz JRGFLUUPVPFMPX-SECBINFHSA-N 1 1 195.287 2.050 10 0 AEAEMO CCCC(CCC)[N@H+]1CC[C@H](N)[C@@H]1C 308538355 573284580 /nfs/dbraw/zinc/28/45/80/573284580.db2.gz MYCFDRJYYBYGPO-JQWIXIFHSA-N 1 1 198.354 2.377 10 0 AEAEMO C[C@H]1CC(=O)C[C@H](c2cccs2)[NH2+]1 74243310 573284770 /nfs/dbraw/zinc/28/47/70/573284770.db2.gz ZKWOIWRTPPQHPJ-IONNQARKSA-N 1 1 195.287 2.130 10 0 AEAEMO C[N@@H+](CCC(C)(C)C)[C@@H]1CCC[C@H]1N 259068745 573285216 /nfs/dbraw/zinc/28/52/16/573285216.db2.gz QNTWZLLVUNWQHY-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CN(CCC(C)(C)C)[C@@H]1CCC[C@H]1[NH3+] 259068745 573285220 /nfs/dbraw/zinc/28/52/20/573285220.db2.gz QNTWZLLVUNWQHY-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC(CCC)[N@H+]1CC[C@H](N)[C@H]1C 308538358 573285221 /nfs/dbraw/zinc/28/52/21/573285221.db2.gz MYCFDRJYYBYGPO-PWSUYJOCSA-N 1 1 198.354 2.377 10 0 AEAEMO C[N@@H+](CCC(C)(C)C)[C@H]1CCC[C@@H]1N 259068749 573285450 /nfs/dbraw/zinc/28/54/50/573285450.db2.gz QNTWZLLVUNWQHY-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO CN(CCC(C)(C)C)[C@H]1CCC[C@@H]1[NH3+] 259068749 573285454 /nfs/dbraw/zinc/28/54/54/573285454.db2.gz QNTWZLLVUNWQHY-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[N@H+]1CCNC2(CCCCC2)C1 82926121 573286178 /nfs/dbraw/zinc/28/61/78/573286178.db2.gz KIHYUSSBGJDGOZ-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO CC(C)N1CC[NH2+]C2(CCCCC2)C1 82926121 573286184 /nfs/dbraw/zinc/28/61/84/573286184.db2.gz KIHYUSSBGJDGOZ-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@H+]1C[C@@H](N)C(C)C 224153323 573286220 /nfs/dbraw/zinc/28/62/20/573286220.db2.gz YXIWZUHXXYCOSD-QJPTWQEYSA-N 1 1 198.354 2.233 10 0 AEAEMO C[N@@H+](CCC(C)(C)C)[C@H]1CCC[C@H]1N 259068746 573286487 /nfs/dbraw/zinc/28/64/87/573286487.db2.gz QNTWZLLVUNWQHY-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO CN(CCC(C)(C)C)[C@H]1CCC[C@H]1[NH3+] 259068746 573286494 /nfs/dbraw/zinc/28/64/94/573286494.db2.gz QNTWZLLVUNWQHY-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@H](C)[NH2+]C[C@@](C)(N)C1CC1 50889972 573288014 /nfs/dbraw/zinc/28/80/14/573288014.db2.gz SYPPXSPCSKNYBA-CMPLNLGQSA-N 1 1 198.354 2.282 10 0 AEAEMO CC[C@@H]([NH3+])c1nc2cc(F)ccc2o1 74246962 573288215 /nfs/dbraw/zinc/28/82/15/573288215.db2.gz IJTZUXVZJLNROD-SSDOTTSWSA-N 1 1 194.209 2.377 10 0 AEAEMO CC[C@H]1C[NH2+][C@H](C(C)C)CN1C(C)C 82926650 573290510 /nfs/dbraw/zinc/29/05/10/573290510.db2.gz PXPPOXLZJHERPW-RYUDHWBXSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(=O)[C@H]([NH3+])c1ccc(C)c(C)c1C 259404460 573290590 /nfs/dbraw/zinc/29/05/90/573290590.db2.gz SKMJNSVARGLGKV-LBPRGKRZSA-N 1 1 191.274 2.201 10 0 AEAEMO CCC[NH2+][C@H](C)c1c[nH]c(C2CC2)n1 308541689 573290672 /nfs/dbraw/zinc/29/06/72/573290672.db2.gz MUVHVSYVMCXRRN-MRVPVSSYSA-N 1 1 193.294 2.348 10 0 AEAEMO CC[C@@H](C)c1ccc([C@@H]([NH3+])CN)cc1 259071261 573290877 /nfs/dbraw/zinc/29/08/77/573290877.db2.gz NKSMIOJVUCZMJU-SKDRFNHKSA-N 1 1 192.306 2.159 10 0 AEAEMO CCC[C@H](O)C[N@@H+](C)C(CC)CC 50193340 573290921 /nfs/dbraw/zinc/29/09/21/573290921.db2.gz KCVVFGZNLDRYAG-NSHDSACASA-N 1 1 187.327 2.268 10 0 AEAEMO CCC[C@@H](O)C[N@@H+](C)C(CC)CC 50193341 573290961 /nfs/dbraw/zinc/29/09/61/573290961.db2.gz KCVVFGZNLDRYAG-LLVKDONJSA-N 1 1 187.327 2.268 10 0 AEAEMO CC[C@@H]([NH3+])c1nc2ccc(F)cc2o1 74246969 573290507 /nfs/dbraw/zinc/29/05/07/573290507.db2.gz BJEHFKUQOPVDAL-SSDOTTSWSA-N 1 1 194.209 2.377 10 0 AEAEMO CCCC[C@H](C)[NH2+]C[C@H](N)CCC 50890047 573293922 /nfs/dbraw/zinc/29/39/22/573293922.db2.gz DEQWBBAXQXKDFT-WDEREUQCSA-N 1 1 186.343 2.282 10 0 AEAEMO CCC1(CC)CN[C@H](C(C)C)C[N@H+]1C 82936020 573293958 /nfs/dbraw/zinc/29/39/58/573293958.db2.gz KBRNVYZYJXLEJU-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CCC1(CC)C[NH2+][C@H](C(C)C)CN1C 82936020 573293967 /nfs/dbraw/zinc/29/39/67/573293967.db2.gz KBRNVYZYJXLEJU-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@H]1CN[C@H](C)C[N@H+]1C(C)C 82935232 573293975 /nfs/dbraw/zinc/29/39/75/573293975.db2.gz OHXDREDXDBITJH-QJPTWQEYSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@@]1(C)CNC(C)(C)C[N@H+]1C(C)C 82936327 573294052 /nfs/dbraw/zinc/29/40/52/573294052.db2.gz ZWYQDKRKRSYVLW-LBPRGKRZSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CC(C)(C)NC[C@@H]1C 82936074 573294172 /nfs/dbraw/zinc/29/41/72/573294172.db2.gz QSBXVJSXTGMPBA-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@H+]1C[C@@H](C(C)C)NC[C@@]1(C)CC 82935988 573294181 /nfs/dbraw/zinc/29/41/81/573294181.db2.gz YANBODBUJQQQET-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCN1C[C@@H](C(C)C)[NH2+]C[C@@]1(C)CC 82935988 573294187 /nfs/dbraw/zinc/29/41/87/573294187.db2.gz YANBODBUJQQQET-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@]1(C)CN[C@H](C(C)(C)C)C[N@H+]1C 82937121 573294242 /nfs/dbraw/zinc/29/42/42/573294242.db2.gz XKXINBQKSHYTBB-CMPLNLGQSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@]1(C)C[NH2+][C@H](C(C)(C)C)CN1C 82937121 573294243 /nfs/dbraw/zinc/29/42/43/573294243.db2.gz XKXINBQKSHYTBB-CMPLNLGQSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@]1(C)CN[C@H](C)C[N@H+]1CC(C)C 82935356 573294252 /nfs/dbraw/zinc/29/42/52/573294252.db2.gz CQJVTGDHNXEVJF-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[N@H+]1C[C@@H](C[NH2+]C)CC1(C)C 259405165 573294286 /nfs/dbraw/zinc/29/42/86/573294286.db2.gz MOELFELDAZYYSL-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[N@H+]1C[C@H](C(C)(C)C)NC[C@@H]1C 82936942 573296449 /nfs/dbraw/zinc/29/64/49/573296449.db2.gz OLCKSNRGIQKVKL-WDEREUQCSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)N1C[C@H](C(C)(C)C)[NH2+]C[C@@H]1C 82936942 573296455 /nfs/dbraw/zinc/29/64/55/573296455.db2.gz OLCKSNRGIQKVKL-WDEREUQCSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@@H](C)c1ccc([C@H]([NH3+])CN)cc1 259071246 573296472 /nfs/dbraw/zinc/29/64/72/573296472.db2.gz NKSMIOJVUCZMJU-BXKDBHETSA-N 1 1 192.306 2.159 10 0 AEAEMO CCC[C@H]1CNC(C)(C)C[N@H+]1C(C)C 82936157 573296533 /nfs/dbraw/zinc/29/65/33/573296533.db2.gz AWFQYOCDZXRONJ-NSHDSACASA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[N@H+]1C[C@H](C)NCC12CCCC2 82935465 573296631 /nfs/dbraw/zinc/29/66/31/573296631.db2.gz FUFMMQMSWTZHKY-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC(C)[N@H+]1C[C@H](C)NCC12CCCC2 82935452 573296713 /nfs/dbraw/zinc/29/67/13/573296713.db2.gz YUWQSYCVKKMUGZ-NSHDSACASA-N 1 1 196.338 2.001 10 0 AEAEMO CCC[N@H+]1C[C@@H](C)NC[C@@H]1C(C)(C)C 82935572 573297014 /nfs/dbraw/zinc/29/70/14/573297014.db2.gz FWRJGOWGARCKDP-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCN1C[C@@H](C)[NH2+]C[C@@H]1C(C)(C)C 82935572 573297015 /nfs/dbraw/zinc/29/70/15/573297015.db2.gz FWRJGOWGARCKDP-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[C@@H](C)[N@H+]1CCNC[C@H](C)C1 50890852 573297042 /nfs/dbraw/zinc/29/70/42/573297042.db2.gz MQZHXSMDONEJGF-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[C@@H](C)N1CC[NH2+]C[C@H](C)C1 50890852 573297045 /nfs/dbraw/zinc/29/70/45/573297045.db2.gz MQZHXSMDONEJGF-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCC[N@@H+](C)[C@@]1(CN)CC[C@H]1C 308542182 573297806 /nfs/dbraw/zinc/29/78/06/573297806.db2.gz OIMOJUBOBFAGDX-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@@H](O)[C@@H](C)[N@H+]1CCC12CCCCC2 687978337 573297839 /nfs/dbraw/zinc/29/78/39/573297839.db2.gz APGIDVCSFRWQPV-GHMZBOCLSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[C@H]1C[N@@H+](C(C)C)[C@H](C(C)C)CN1 82936664 573297895 /nfs/dbraw/zinc/29/78/95/573297895.db2.gz RVZZGDUJZIJGMN-RYUDHWBXSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)[C@H]1C[N@@H+](C(C)C)C(C)(C)CN1 82935966 573297910 /nfs/dbraw/zinc/29/79/10/573297910.db2.gz LAIHEIWRVUZABD-LLVKDONJSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)[C@H]1CN(C(C)C)C(C)(C)C[NH2+]1 82935966 573297915 /nfs/dbraw/zinc/29/79/15/573297915.db2.gz LAIHEIWRVUZABD-LLVKDONJSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@@]1(C)CN[C@H](C(C)(C)C)C[N@H+]1C 82937122 573297932 /nfs/dbraw/zinc/29/79/32/573297932.db2.gz XKXINBQKSHYTBB-JQWIXIFHSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@]1(C)C[NH2+][C@H](C(C)(C)C)CN1C 82937122 573297938 /nfs/dbraw/zinc/29/79/38/573297938.db2.gz XKXINBQKSHYTBB-JQWIXIFHSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[C@H](C)[N@H+]1CCN[C@@H](C)CC1 50890859 573297975 /nfs/dbraw/zinc/29/79/75/573297975.db2.gz FJDSPBRAMQFTPC-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@H](C)N1CC[NH2+][C@@H](C)CC1 50890859 573297978 /nfs/dbraw/zinc/29/79/78/573297978.db2.gz FJDSPBRAMQFTPC-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]1C[N@H+](C)[C@H](C(C)(C)C)CN1 82935769 573298065 /nfs/dbraw/zinc/29/80/65/573298065.db2.gz KGSDUBLVDUGTQN-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1C[N@@H+](C)[C@H](C(C)(C)C)CN1 82935769 573298070 /nfs/dbraw/zinc/29/80/70/573298070.db2.gz KGSDUBLVDUGTQN-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@]1(C)CN[C@H](C)C[N@H+]1CC(C)C 82935355 573298082 /nfs/dbraw/zinc/29/80/82/573298082.db2.gz CQJVTGDHNXEVJF-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@H+]1C[C@H](C)NC[C@@H]1C(C)(C)C 82935571 573298094 /nfs/dbraw/zinc/29/80/94/573298094.db2.gz FWRJGOWGARCKDP-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCN1C[C@H](C)[NH2+]C[C@@H]1C(C)(C)C 82935571 573298099 /nfs/dbraw/zinc/29/80/99/573298099.db2.gz FWRJGOWGARCKDP-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1CN[C@@](C)(CC)C[N@H+]1CC 82937771 573305789 /nfs/dbraw/zinc/30/57/89/573305789.db2.gz WQHMUHVQZDOFAX-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]1C[NH2+][C@@](C)(CC)CN1CC 82937771 573305796 /nfs/dbraw/zinc/30/57/96/573305796.db2.gz WQHMUHVQZDOFAX-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@@H+](CCN)CC(C)(C)CC 308343416 573305797 /nfs/dbraw/zinc/30/57/97/573305797.db2.gz SLYHWGXURJSQOR-UHFFFAOYSA-N 1 1 186.343 2.093 10 0 AEAEMO CCCN(CC[NH3+])CC(C)(C)CC 308343416 573305800 /nfs/dbraw/zinc/30/58/00/573305800.db2.gz SLYHWGXURJSQOR-UHFFFAOYSA-N 1 1 186.343 2.093 10 0 AEAEMO COC(=[NH2+])CCNc1ccccc1C 238340979 573305802 /nfs/dbraw/zinc/30/58/02/573305802.db2.gz OQUXBZQBGROVQB-UHFFFAOYSA-N 1 1 192.262 2.421 10 0 AEAEMO Cc1nc(C[NH+]2CCCCCC2)c[nH]1 258285326 573305880 /nfs/dbraw/zinc/30/58/80/573305880.db2.gz UCWXQFYUVMWFMK-UHFFFAOYSA-N 1 1 193.294 2.094 10 0 AEAEMO CC[C@@]1(C)C[N@@H+](C(C)C)C(C)(C)CN1 82937898 573306048 /nfs/dbraw/zinc/30/60/48/573306048.db2.gz HDTDSHYBRAZFCS-LBPRGKRZSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@]1(C)CN(C(C)C)C(C)(C)C[NH2+]1 82937898 573306053 /nfs/dbraw/zinc/30/60/53/573306053.db2.gz HDTDSHYBRAZFCS-LBPRGKRZSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](C)[C@H]1C[N@H+](CC)C(C)(C)CN1 82937582 573306072 /nfs/dbraw/zinc/30/60/72/573306072.db2.gz UQHQVBQJWIRCIC-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@H]1C[N@@H+](CC)C(C)(C)CN1 82937582 573306078 /nfs/dbraw/zinc/30/60/78/573306078.db2.gz UQHQVBQJWIRCIC-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@H+]1CC2(CCCC2)NC[C@@H]1C 82937983 573306177 /nfs/dbraw/zinc/30/61/77/573306177.db2.gz UOWRTTJVBDKAPK-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@]1(CN)CC[C@H]1C 308548619 573306178 /nfs/dbraw/zinc/30/61/78/573306178.db2.gz QQUSGLHIFHCIBW-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCN1CC2(CCCC2)[NH2+]C[C@@H]1C 82937983 573306180 /nfs/dbraw/zinc/30/61/80/573306180.db2.gz UOWRTTJVBDKAPK-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@]1(CN)CC[C@@H]1C 308548612 573306264 /nfs/dbraw/zinc/30/62/64/573306264.db2.gz QQUSGLHIFHCIBW-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[C@@H]1C[N@@H+](C(C)C)[C@H](C)CCN1 82942265 573308042 /nfs/dbraw/zinc/30/80/42/573308042.db2.gz BKMWEIXUSWBKCI-NEPJUHHUSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCC[C@@H](C(C)=O)C1 224872674 573308205 /nfs/dbraw/zinc/30/82/05/573308205.db2.gz NWMGRQDJWMFTKP-MWLCHTKSSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[N@H+]1C[C@H](CC(C)C)[NH2+]CC[C@@H]1C 82942759 573308209 /nfs/dbraw/zinc/30/82/09/573308209.db2.gz PHXGJOYXSSDKGE-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](O)C[N@H+]1C[C@@H]2CCCCC[C@H]21 687979100 573308391 /nfs/dbraw/zinc/30/83/91/573308391.db2.gz DFPLUAOXQKNCBY-SDDRHHMPSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H](O)C[N@H+]1C[C@@H]2CCCCC[C@@H]21 687979101 573308429 /nfs/dbraw/zinc/30/84/29/573308429.db2.gz DFPLUAOXQKNCBY-SRVKXCTJSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H](O)C[N@H+]1C[C@H]2CCCCC[C@H]21 687979094 573308529 /nfs/dbraw/zinc/30/85/29/573308529.db2.gz DFPLUAOXQKNCBY-IJLUTSLNSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H](O)C[N@H+]1C[C@H]2CCCCC[C@@H]21 687979105 573309830 /nfs/dbraw/zinc/30/98/30/573309830.db2.gz DFPLUAOXQKNCBY-WOPDTQHZSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)CC[N@H+]1CCCNC(C)(C)C1 82941483 573309914 /nfs/dbraw/zinc/30/99/14/573309914.db2.gz MHAXDCUQUCJLTO-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[N@H+]1CCCNC(CC)(CC)C1 82942198 573309954 /nfs/dbraw/zinc/30/99/54/573309954.db2.gz XCCHWKYAUBWWAW-UHFFFAOYSA-N 1 1 198.354 2.251 10 0 AEAEMO CCC[N@H+]1C[C@H](C(C)C)NCC[C@@H]1C 82942279 573310119 /nfs/dbraw/zinc/31/01/19/573310119.db2.gz UUIHSTWQPMEILQ-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[C@H]1C[N@@H+](C(C)C)[C@H](C)CCN1 82942268 573310343 /nfs/dbraw/zinc/31/03/43/573310343.db2.gz BKMWEIXUSWBKCI-VXGBXAGGSA-N 1 1 198.354 2.103 10 0 AEAEMO C[C@H]1C[N@@H+](CCC(C)(C)C)CCCN1 82941369 573311743 /nfs/dbraw/zinc/31/17/43/573311743.db2.gz IGMLEKKQWPLFBL-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO C[C@H]1CN(CCC(C)(C)C)CCC[NH2+]1 82941369 573311749 /nfs/dbraw/zinc/31/17/49/573311749.db2.gz IGMLEKKQWPLFBL-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)[N@@H+](C)Cc1ccc(O)cn1 132511985 573314084 /nfs/dbraw/zinc/31/40/84/573314084.db2.gz NADKKBARIPQXNE-VIFPVBQESA-N 1 1 194.278 2.018 10 0 AEAEMO CC[N@H+]1CC2(CCCC2)[NH2+]CC[C@@H]1C 82943128 573314122 /nfs/dbraw/zinc/31/41/22/573314122.db2.gz AXZQWZCSLUHPIV-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@](C)([C@@H](C)N)[N@@H+](C)CC1CCC1 308553626 573323681 /nfs/dbraw/zinc/32/36/81/573323681.db2.gz RDEGJIGTTDNNBB-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCCC[C@]1(O)C[C@@H](C)[N@@H+](C)C1 132604403 573323852 /nfs/dbraw/zinc/32/38/52/573323852.db2.gz QLKSSICXQVRDTP-NEPJUHHUSA-N 1 1 199.338 2.412 10 0 AEAEMO CC(C)(C)c1[nH+]cc2n1[C@H](O)CCC2 258304933 573323920 /nfs/dbraw/zinc/32/39/20/573323920.db2.gz OVDNDPOTHSETAV-SECBINFHSA-N 1 1 194.278 2.008 10 0 AEAEMO C[C@H]1CNCC[N@H+]1C(C)(C)C(C)(C)C 106876274 573323992 /nfs/dbraw/zinc/32/39/92/573323992.db2.gz FQWKAFVCJNMRHL-JTQLQIEISA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(=O)[C@@H](C)[N@H+]1CCC[C@H](C)CC1 82953636 573324050 /nfs/dbraw/zinc/32/40/50/573324050.db2.gz CZIQHOAUTUCUNM-WDEREUQCSA-N 1 1 197.322 2.476 10 0 AEAEMO CCCCCC[C@@]1(O)C[C@H](C)[N@@H+](C)C1 132604162 573327893 /nfs/dbraw/zinc/32/78/93/573327893.db2.gz QLKSSICXQVRDTP-NWDGAFQWSA-N 1 1 199.338 2.412 10 0 AEAEMO CCCCC[N@H+]1CCNC(C)(C)CC1 259417851 573327961 /nfs/dbraw/zinc/32/79/61/573327961.db2.gz ZEARJWSJRCQGKO-UHFFFAOYSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCN1CC[NH2+]C(C)(C)CC1 259417851 573327968 /nfs/dbraw/zinc/32/79/68/573327968.db2.gz ZEARJWSJRCQGKO-UHFFFAOYSA-N 1 1 198.354 2.251 10 0 AEAEMO CC1(C)C([NH+]2CCC(=O)CC2)C1(C)C 86240362 573328026 /nfs/dbraw/zinc/32/80/26/573328026.db2.gz BFQFXCAURFSVJT-UHFFFAOYSA-N 1 1 195.306 2.086 10 0 AEAEMO CCCC[N@@H+](CC)[C@]1(CN)CC[C@@H]1C 308550517 573331038 /nfs/dbraw/zinc/33/10/38/573331038.db2.gz RNRJIUHDNNECOV-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)C[C@@H](CN)[N@@H+](C)CCC1CC1 308560783 573337360 /nfs/dbraw/zinc/33/73/60/573337360.db2.gz FDAXVTOLSPYPRL-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@@H](C[NH3+])N(C)CCC1CC1 308560783 573337365 /nfs/dbraw/zinc/33/73/65/573337365.db2.gz FDAXVTOLSPYPRL-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@]1(C)CNC2(CCCCC2)C[NH2+]1 82960904 573337378 /nfs/dbraw/zinc/33/73/78/573337378.db2.gz WEXBOGLEGWSLEN-LLVKDONJSA-N 1 1 196.338 2.051 10 0 AEAEMO CCC1(CC)C[NH2+]C2(CCCC2)CN1 82960920 573337411 /nfs/dbraw/zinc/33/74/11/573337411.db2.gz LFNWCOLDYUVIHB-UHFFFAOYSA-N 1 1 196.338 2.051 10 0 AEAEMO CC(C)C[C@H](CN)[N@@H+](C)CCC1CC1 308560782 573337617 /nfs/dbraw/zinc/33/76/17/573337617.db2.gz FDAXVTOLSPYPRL-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@H](C[NH3+])N(C)CCC1CC1 308560782 573337622 /nfs/dbraw/zinc/33/76/22/573337622.db2.gz FDAXVTOLSPYPRL-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@H](C)NC[C@@]1(C)CCC[NH2+]1 308559703 573337657 /nfs/dbraw/zinc/33/76/57/573337657.db2.gz WMXODLABPYWSRI-NWDGAFQWSA-N 1 1 198.354 2.153 10 0 AEAEMO CC(C)C[C@H]1C[NH2+][C@H](C(C)(C)C)CN1 82960786 573339198 /nfs/dbraw/zinc/33/91/98/573339198.db2.gz OWYFQPYJNVRUES-QWRGUYRKSA-N 1 1 198.354 2.009 10 0 AEAEMO CC(C)C[N@@H+](C)[C@@H](CN)C1CCCC1 50272144 573341639 /nfs/dbraw/zinc/34/16/39/573341639.db2.gz YFNCMXCECIHBLM-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](C)CCc1ccc(F)cc1F 259091548 573341669 /nfs/dbraw/zinc/34/16/69/573341669.db2.gz NONZAHPMOIMJJB-UHFFFAOYSA-N 1 1 199.244 2.459 10 0 AEAEMO CC(C)C[N@@H+](C)[C@H](CN)C1CCCC1 50272145 573341827 /nfs/dbraw/zinc/34/18/27/573341827.db2.gz YFNCMXCECIHBLM-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@H+]1CCCC[C@@H]1C/C=C\CCO 258290378 573341854 /nfs/dbraw/zinc/34/18/54/573341854.db2.gz TYDJPIWTQZFDMI-MVZIDQBPSA-N 1 1 197.322 2.190 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)[C@@H](CN)C1CCCC1 50272146 573343272 /nfs/dbraw/zinc/34/32/72/573343272.db2.gz RIABIUVAMHXRCR-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO Cc1ccsc1[C@H](C[NH3+])NC(C)C 50270823 573343380 /nfs/dbraw/zinc/34/33/80/573343380.db2.gz HHEHPRJCXUMIPP-VIFPVBQESA-N 1 1 198.335 2.054 10 0 AEAEMO CCC[N@H+](CCNC)C1CCCCC1 129580183 573343407 /nfs/dbraw/zinc/34/34/07/573343407.db2.gz SGIUUOKSVVMPPT-UHFFFAOYSA-N 1 1 198.354 2.251 10 0 AEAEMO CCC[N@@H+](CCNC)C1CCCCC1 129580183 573343410 /nfs/dbraw/zinc/34/34/10/573343410.db2.gz SGIUUOKSVVMPPT-UHFFFAOYSA-N 1 1 198.354 2.251 10 0 AEAEMO CC[N@H+]1CCC[C@H](C/C=C\CCO)C1 258292318 573343437 /nfs/dbraw/zinc/34/34/37/573343437.db2.gz UBZLCXNIJQYVJJ-MVZIDQBPSA-N 1 1 197.322 2.047 10 0 AEAEMO CCC[N@@H+](CC)[C@H](CN)[C@@]1(C)C[C@H]1C 714674274 573343470 /nfs/dbraw/zinc/34/34/70/573343470.db2.gz ABJSWLRGCCRTQI-UTUOFQBUSA-N 1 1 198.354 2.092 10 0 AEAEMO C[N@H+]1CCc2cccc(Cl)c2C1 74450016 573343536 /nfs/dbraw/zinc/34/35/36/573343536.db2.gz LSINFBRZUWUJIF-UHFFFAOYSA-N 1 1 181.666 2.328 10 0 AEAEMO CC[N@H+]1CCC[C@@H](C/C=C\CCO)C1 258292320 573343663 /nfs/dbraw/zinc/34/36/63/573343663.db2.gz UBZLCXNIJQYVJJ-VSQXVHSFSA-N 1 1 197.322 2.047 10 0 AEAEMO CCCC[C@H](CC)c1nnc(C[NH3+])o1 50283457 573343802 /nfs/dbraw/zinc/34/38/02/573343802.db2.gz GHDZUFMEOVIPGY-QMMMGPOBSA-N 1 1 197.282 2.212 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@H](CN)[C@@]1(C)C[C@@H]1C 714676291 573343804 /nfs/dbraw/zinc/34/38/04/573343804.db2.gz DFARZNFXEDROQH-YFKTTZPYSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[N@@H+](C(C)C)[C@@H](CN)C1CCCC1 50272130 573344811 /nfs/dbraw/zinc/34/48/11/573344811.db2.gz FWGLYWUGYWSHDY-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)C1(CO)CCC1 308354021 573344878 /nfs/dbraw/zinc/34/48/78/573344878.db2.gz AAIDQMJBBIFICX-JTQLQIEISA-N 1 1 185.311 2.022 10 0 AEAEMO CC(C)C(=O)C[N@H+]1CCCC1(C)C 86276672 573345896 /nfs/dbraw/zinc/34/58/96/573345896.db2.gz MSIZFUWDNAPYJN-UHFFFAOYSA-N 1 1 183.295 2.086 10 0 AEAEMO CCCN[C@@H](C[NH3+])c1ccc(C)s1 50270635 573346098 /nfs/dbraw/zinc/34/60/98/573346098.db2.gz BYQQPWGBUJURFL-VIFPVBQESA-N 1 1 198.335 2.056 10 0 AEAEMO CC(C)C(=O)C[N@H+]1CCCC[C@H]1C 86276291 573346349 /nfs/dbraw/zinc/34/63/49/573346349.db2.gz GIWVICDRDHDQKA-SNVBAGLBSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@H](CN)C1CCCC1 50272147 573346904 /nfs/dbraw/zinc/34/69/04/573346904.db2.gz RIABIUVAMHXRCR-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](C(C)C)[C@H](CN)C1CCCC1 50272131 573346924 /nfs/dbraw/zinc/34/69/24/573346924.db2.gz FWGLYWUGYWSHDY-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO Cc1[nH+]c(-c2cccs2)c(N)n1C 107099844 573346942 /nfs/dbraw/zinc/34/69/42/573346942.db2.gz ZKFZUNDQGFPQMJ-UHFFFAOYSA-N 1 1 193.275 2.039 10 0 AEAEMO CCCCC[N@H+]1CCC(C)(C)[C@H]([NH3+])C1 259424702 573351775 /nfs/dbraw/zinc/35/17/75/573351775.db2.gz ZRIOZFFHAIELAC-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CCc1[nH+]c2c(N)c(C)ccn2c1C 74536348 573351886 /nfs/dbraw/zinc/35/18/86/573351886.db2.gz LXJHVIRYEWNTDW-UHFFFAOYSA-N 1 1 189.262 2.096 10 0 AEAEMO CC(C)CC[N@H+]1CCC(=O)[C@@H](C)[C@H]1C 86302978 573351922 /nfs/dbraw/zinc/35/19/22/573351922.db2.gz VTNAOZUOVGDZOI-WDEREUQCSA-N 1 1 197.322 2.332 10 0 AEAEMO CC(C)CC[N@H+]1CCC(C)(C)[C@H](O)C1 258636816 573351990 /nfs/dbraw/zinc/35/19/90/573351990.db2.gz CQZWOTXJPNEKBS-LLVKDONJSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC(CC)[N@H+]1CCC(=O)[C@H](C)[C@@H]1C 86303260 573353236 /nfs/dbraw/zinc/35/32/36/573353236.db2.gz XZMMRJBCYJWGBN-ZJUUUORDSA-N 1 1 197.322 2.474 10 0 AEAEMO CCC[N@@H+](CC)C[C@H]1CCC[C@@H](O)C1 308558711 573353273 /nfs/dbraw/zinc/35/32/73/573353273.db2.gz CUQYJINBJMZYHW-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO C[C@H]1C(=O)CC[N@@H+](C2CCCC2)[C@@H]1C 86303236 573353484 /nfs/dbraw/zinc/35/34/84/573353484.db2.gz URTSOHAZUCANGH-NXEZZACHSA-N 1 1 195.306 2.228 10 0 AEAEMO C[C@H]1C(=O)CC[N@@H+](CC2CCC2)[C@@H]1C 86303499 573353632 /nfs/dbraw/zinc/35/36/32/573353632.db2.gz BTKFUJBCFCGMNH-NXEZZACHSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@@H]1C(=O)CC[N@@H+](CC(C)(C)C)[C@H]1C 86304132 573353679 /nfs/dbraw/zinc/35/36/79/573353679.db2.gz QLVQFSNNQMTCJV-UWVGGRQHSA-N 1 1 197.322 2.332 10 0 AEAEMO CC(C)CC[N@H+]1CCC(=O)[C@@H](C)[C@@H]1C 86302974 573354061 /nfs/dbraw/zinc/35/40/61/573354061.db2.gz VTNAOZUOVGDZOI-QWRGUYRKSA-N 1 1 197.322 2.332 10 0 AEAEMO CCC(C)(C)[N@H+]1CCC(=O)[C@@H](C)[C@@H]1C 86303295 573354125 /nfs/dbraw/zinc/35/41/25/573354125.db2.gz ANLVLDNARWDPGY-UWVGGRQHSA-N 1 1 197.322 2.474 10 0 AEAEMO C[N@@H+](CCc1nccs1)C1CCC1 308364757 573354157 /nfs/dbraw/zinc/35/41/57/573354157.db2.gz NOZGECQUEGURDZ-UHFFFAOYSA-N 1 1 196.319 2.170 10 0 AEAEMO C[C@H]1[C@@H](C)C(=O)CC[N@H+]1CC1CCC1 86303497 573357167 /nfs/dbraw/zinc/35/71/67/573357167.db2.gz BTKFUJBCFCGMNH-ZJUUUORDSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@H]1[C@@H](C)C(=O)CC[N@H+]1C1CCCC1 86303233 573357189 /nfs/dbraw/zinc/35/71/89/573357189.db2.gz URTSOHAZUCANGH-ZJUUUORDSA-N 1 1 195.306 2.228 10 0 AEAEMO C[C@@H](C[NH3+])[C@H](C)[N@H+]1CCCC(C)(C)C1 86312690 573359317 /nfs/dbraw/zinc/35/93/17/573359317.db2.gz SDEPJWISXMEQDK-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO CCSCc1c[nH+]c(C)n1CC 258007332 573364004 /nfs/dbraw/zinc/36/40/04/573364004.db2.gz CMPNCWHXMJPMEP-UHFFFAOYSA-N 1 1 184.308 2.465 10 0 AEAEMO CCC[N@@H+](CC)CC1CCC(O)CC1 308562666 573364080 /nfs/dbraw/zinc/36/40/80/573364080.db2.gz GEHWCPZLWMNBNS-UHFFFAOYSA-N 1 1 199.338 2.269 10 0 AEAEMO CNC(C)(C)C[NH2+][C@H]1CCCC1(C)C 393663088 573364149 /nfs/dbraw/zinc/36/41/49/573364149.db2.gz YUJYVDYOOHMGKS-JTQLQIEISA-N 1 1 198.354 2.153 10 0 AEAEMO CC[C@@H](F)C[N@@H+](CC)C[C@@H](C)OC 308367728 573364152 /nfs/dbraw/zinc/36/41/52/573364152.db2.gz OVXUYPWTJQOGRA-NXEZZACHSA-N 1 1 191.290 2.091 10 0 AEAEMO C/C=C/C[N@H+](CC)C[C@@H]1CCCO1 308369389 573364411 /nfs/dbraw/zinc/36/44/11/573364411.db2.gz PQJNQVAKEFLEEZ-TZNOJPMFSA-N 1 1 183.295 2.063 10 0 AEAEMO CCCCc1nc(NC)cc(C)[nH+]1 86323534 573365402 /nfs/dbraw/zinc/36/54/02/573365402.db2.gz JIRHCCWHNNOJNI-UHFFFAOYSA-N 1 1 179.267 2.169 10 0 AEAEMO C[C@H]1C[C@](O)(C2CCCC2)CC[N@H+]1C 107140906 573374299 /nfs/dbraw/zinc/37/42/99/573374299.db2.gz AJGOHURNHNHWDC-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1C[C@@](O)(C2CCCC2)CC[N@H+]1C 107140911 573374509 /nfs/dbraw/zinc/37/45/09/573374509.db2.gz AJGOHURNHNHWDC-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@H+]1CCC[C@H]1c1ccc(C=O)cc1 117873186 573374565 /nfs/dbraw/zinc/37/45/65/573374565.db2.gz IOHFBBHAYBGFPF-LBPRGKRZSA-N 1 1 189.258 2.266 10 0 AEAEMO CC(C)CC1(O)C[C@@H]2CC[C@H](C1)[N@H+]2C 107140885 573374990 /nfs/dbraw/zinc/37/49/90/573374990.db2.gz ZZHWAHAUNRVCNE-FOSCPWQOSA-N 1 1 197.322 2.020 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H]1C/C=C\CCO 258018645 573378712 /nfs/dbraw/zinc/37/87/12/573378712.db2.gz BLTLEAKLWQOQQF-MVZIDQBPSA-N 1 1 197.322 2.188 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CCNC(C)(C)C1 83060425 573382878 /nfs/dbraw/zinc/38/28/78/573382878.db2.gz QNMRKMJVLBETEB-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)NCC[NH2+]C[C@H](C)C1CC1 133213679 573385345 /nfs/dbraw/zinc/38/53/45/573385345.db2.gz TWAWLIWBSNFLIX-QWRGUYRKSA-N 1 1 198.354 2.010 10 0 AEAEMO CC[C@H](C)[NH2+]CCNC[C@H](C)C1CC1 133213679 573385350 /nfs/dbraw/zinc/38/53/50/573385350.db2.gz TWAWLIWBSNFLIX-QWRGUYRKSA-N 1 1 198.354 2.010 10 0 AEAEMO CC[C@H](C)[C@](C)(CN)[N@@H+](C)CC1CC1 308567638 573385371 /nfs/dbraw/zinc/38/53/71/573385371.db2.gz ZGBNNEKAIGSVNO-JQWIXIFHSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)[C@@H]1CN[C@@H](C)C[N@H+]1C(C)(C)C 83085019 573385436 /nfs/dbraw/zinc/38/54/36/573385436.db2.gz JGJATLYVGWDUJU-QWRGUYRKSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[N@@H+](CC1CC1)[C@@](C)(CC)C(C)=O 308567544 573385447 /nfs/dbraw/zinc/38/54/47/573385447.db2.gz ZDSQYPDJJIMLPW-LBPRGKRZSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@@H](C)[C@@](C)(CN)[N@@H+](C)CC1CC1 308567641 573385487 /nfs/dbraw/zinc/38/54/87/573385487.db2.gz ZGBNNEKAIGSVNO-ZYHUDNBSSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1C[N@H+](C2(C)CCCC2)[C@H](C)CN1 83086393 573385565 /nfs/dbraw/zinc/38/55/65/573385565.db2.gz KDMUTSRQMCCZPF-GHMZBOCLSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@H]1CN[C@@H](C)C[N@H+]1[C@@H](C)C(C)C 83085291 573385682 /nfs/dbraw/zinc/38/56/82/573385682.db2.gz ZQVVXQLOUQBYFF-SDDRHHMPSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)[C@H]1C[N@H+](C(C)(C)C)[C@H](C)CN1 83085012 573389322 /nfs/dbraw/zinc/38/93/22/573389322.db2.gz WKUUVHGQCMDONR-GHMZBOCLSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)[C@H]1CN(C(C)(C)C)[C@H](C)C[NH2+]1 83085012 573389326 /nfs/dbraw/zinc/38/93/26/573389326.db2.gz WKUUVHGQCMDONR-GHMZBOCLSA-N 1 1 198.354 2.103 10 0 AEAEMO CCC(C)(C)[N@H+]1CCNC[C@H]1C(C)C 83086499 573389438 /nfs/dbraw/zinc/38/94/38/573389438.db2.gz RBRXENQQVZRZFD-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@H+]1C[C@H](C)NC[C@@H]1C 83085648 573389445 /nfs/dbraw/zinc/38/94/45/573389445.db2.gz IEGNLQARIFANIW-BJDJZHNGSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@@H]1C[N@@H+](C2CCCC2)[C@H](C)CN1 83088497 573393753 /nfs/dbraw/zinc/39/37/53/573393753.db2.gz HWULCOLINNERRM-GHMZBOCLSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@H]1CN(C2CCCC2)[C@H](C)C[NH2+]1 83088497 573393756 /nfs/dbraw/zinc/39/37/56/573393756.db2.gz HWULCOLINNERRM-GHMZBOCLSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@]1(C)C[N@@H+](C2CCC2)[C@H](C)CN1 83090209 573393836 /nfs/dbraw/zinc/39/38/36/573393836.db2.gz SBFQLAXKLUQJEI-PWSUYJOCSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@]1(C)CN(C2CCC2)[C@H](C)C[NH2+]1 83090209 573393841 /nfs/dbraw/zinc/39/38/41/573393841.db2.gz SBFQLAXKLUQJEI-PWSUYJOCSA-N 1 1 196.338 2.001 10 0 AEAEMO CCC[C@](C)(N)C[NH2+]C[C@H](C)C1CC1 133254301 573393938 /nfs/dbraw/zinc/39/39/38/573393938.db2.gz OEXPSPVCCLXANM-JQWIXIFHSA-N 1 1 198.354 2.140 10 0 AEAEMO CCCC[N@@H+](C)[C@]1(CN)C[C@H](C)[C@H]1C 308570839 573393997 /nfs/dbraw/zinc/39/39/97/573393997.db2.gz KFTXOJMWGAEKAH-TUAOUCFPSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(=O)[C@@H]([NH3+])c1cc(C)c(C)cc1C 259438548 573394116 /nfs/dbraw/zinc/39/41/16/573394116.db2.gz VASIDGPRJLLFGW-GFCCVEGCSA-N 1 1 191.274 2.201 10 0 AEAEMO CC[C@@H]1C[N@H+](C(C)(C)CC)CCCN1 83091646 573394144 /nfs/dbraw/zinc/39/41/44/573394144.db2.gz ADKNZYQOWYRADU-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(=O)[C@H]([NH3+])c1cc(C)c(C)cc1C 259438550 573394182 /nfs/dbraw/zinc/39/41/82/573394182.db2.gz VASIDGPRJLLFGW-LBPRGKRZSA-N 1 1 191.274 2.201 10 0 AEAEMO CC[C@H](C(C)C)[N@H+]1CCCN[C@H](C)C1 83092599 573395201 /nfs/dbraw/zinc/39/52/01/573395201.db2.gz JFJPNGSLRPAAIK-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H]1C[N@H+](C(C)(C)C)CCCN1 83091250 573395288 /nfs/dbraw/zinc/39/52/88/573395288.db2.gz SBWHYIPKUBGYHF-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1CN(C(C)(C)C)CCC[NH2+]1 83091250 573395292 /nfs/dbraw/zinc/39/52/92/573395292.db2.gz SBWHYIPKUBGYHF-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)(N)C[NH2+]CCC1=CCCCC1 393664374 573395396 /nfs/dbraw/zinc/39/53/96/573395396.db2.gz DVBLAHQGGCPXCL-UHFFFAOYSA-N 1 1 196.338 2.204 10 0 AEAEMO CC[C@H](C)[C@]1(O)CCC[N@@H+](CC)CC1 86388343 573395581 /nfs/dbraw/zinc/39/55/81/573395581.db2.gz RFROGFQWZSDRNC-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[N@@H+](CCCO)CC1(CC)CCC1 308570002 573395840 /nfs/dbraw/zinc/39/58/40/573395840.db2.gz JRMGNBCTGRVSPC-UHFFFAOYSA-N 1 1 199.338 2.271 10 0 AEAEMO CCC(C)(C)[N@H+]1CCCNC(C)(C)C1 83091632 573395881 /nfs/dbraw/zinc/39/58/81/573395881.db2.gz ZXUWXGLCMMMOJP-UHFFFAOYSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]1C[N@@H+](C2CCC2)[C@H](C)CN1 83090163 573395915 /nfs/dbraw/zinc/39/59/15/573395915.db2.gz AYMBUSMNEBQXSB-GHMZBOCLSA-N 1 1 196.338 2.001 10 0 AEAEMO CCC[C@@H]1CN(C2CCC2)[C@H](C)C[NH2+]1 83090163 573395919 /nfs/dbraw/zinc/39/59/19/573395919.db2.gz AYMBUSMNEBQXSB-GHMZBOCLSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H]1C[N@@H+](CC(C)(C)C)[C@H](C)CN1 83089547 573395964 /nfs/dbraw/zinc/39/59/64/573395964.db2.gz DYXRCQREBSXOCI-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CN(CC(C)(C)C)[C@H](C)C[NH2+]1 83089547 573395969 /nfs/dbraw/zinc/39/59/69/573395969.db2.gz DYXRCQREBSXOCI-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO C[N@H+]1CCC[C@@H](C2CCC(=O)CC2)C1 259436565 573395979 /nfs/dbraw/zinc/39/59/79/573395979.db2.gz ZNCLDWWBZROEHW-LLVKDONJSA-N 1 1 195.306 2.088 10 0 AEAEMO CC(C)[C@H]1C[N@H+](C(C)(C)C)CCCN1 83091278 573396040 /nfs/dbraw/zinc/39/60/40/573396040.db2.gz NTMZQMOJAXMDBD-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[C@H]1CN(C(C)(C)C)CCC[NH2+]1 83091278 573396043 /nfs/dbraw/zinc/39/60/43/573396043.db2.gz NTMZQMOJAXMDBD-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCCN[C@@](C)(CC)C1 83091443 573396132 /nfs/dbraw/zinc/39/61/32/573396132.db2.gz MOCAWCICECDQJY-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO FC(F)(c1ccccc1)[C@@H]1CC[NH2+]1 257810251 573396151 /nfs/dbraw/zinc/39/61/51/573396151.db2.gz AIFKBBWUTBBBBX-VIFPVBQESA-N 1 1 183.201 2.140 10 0 AEAEMO CC[C@@H]1C[N@@H+](C2CCC2)[C@H](CC)CN1 83090176 573396163 /nfs/dbraw/zinc/39/61/63/573396163.db2.gz PFOHBNNQGZRGER-GHMZBOCLSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@H]1CN(C2CCC2)[C@H](CC)C[NH2+]1 83090176 573396168 /nfs/dbraw/zinc/39/61/68/573396168.db2.gz PFOHBNNQGZRGER-GHMZBOCLSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H]1CN[C@@](C)(CC)C[N@H+]1C1CC1 83088392 573396184 /nfs/dbraw/zinc/39/61/84/573396184.db2.gz WQTZKFXCXZMLRU-JQWIXIFHSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H]1C[NH2+][C@@](C)(CC)CN1C1CC1 83088392 573396190 /nfs/dbraw/zinc/39/61/90/573396190.db2.gz WQTZKFXCXZMLRU-JQWIXIFHSA-N 1 1 196.338 2.001 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCCNC(C)(C)C1 83091359 573396259 /nfs/dbraw/zinc/39/62/59/573396259.db2.gz GCTZDRRZLLEIQJ-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCNC[C@@H]1C(C)(C)C 86394446 573401211 /nfs/dbraw/zinc/40/12/11/573401211.db2.gz IAIOMRVLISBMCC-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCNCC12CCCC2 86394456 573401307 /nfs/dbraw/zinc/40/13/07/573401307.db2.gz IVUPXAMTSHZBPW-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[N@@H+](C(C)C)[C@]1(CN)C[C@H](C)[C@H]1C 308572989 573401488 /nfs/dbraw/zinc/40/14/88/573401488.db2.gz LIRIXSSIQGLXDL-TUAOUCFPSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CCCNC(C)(C)C1 83104991 573403492 /nfs/dbraw/zinc/40/34/92/573403492.db2.gz IIRSDQAVDGCEIQ-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)n1c[nH+]c2cc(N)c(F)cc21 107180686 573404382 /nfs/dbraw/zinc/40/43/82/573404382.db2.gz UPTGJCXEHGOKLS-UHFFFAOYSA-N 1 1 193.225 2.339 10 0 AEAEMO CCCCCC[N@@H+]1CC[C@H](N)C1(C)C 308576707 573404461 /nfs/dbraw/zinc/40/44/61/573404461.db2.gz NCAYUTWXAWYINY-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCC[N@H+]1CC[C@H](N)C1(C)C 308576707 573404465 /nfs/dbraw/zinc/40/44/65/573404465.db2.gz NCAYUTWXAWYINY-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CN[C@H]1CCC[N@H+](C(C)(C)C)C1(C)C 259440344 573405290 /nfs/dbraw/zinc/40/52/90/573405290.db2.gz OLOSYMOHJZPZHL-JTQLQIEISA-N 1 1 198.354 2.247 10 0 AEAEMO CN[C@H]1CCC[N@@H+](C(C)(C)C)C1(C)C 259440344 573405293 /nfs/dbraw/zinc/40/52/93/573405293.db2.gz OLOSYMOHJZPZHL-JTQLQIEISA-N 1 1 198.354 2.247 10 0 AEAEMO CCCCCC[N@@H+]1CC[C@@H](N)C1(C)C 308576705 573408098 /nfs/dbraw/zinc/40/80/98/573408098.db2.gz NCAYUTWXAWYINY-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC1(C[N@@H+](C)C(C)(C)CN)CCC1 308575863 573406118 /nfs/dbraw/zinc/40/61/18/573406118.db2.gz MPPRFNVOVKRMNN-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC1(CN(C)C(C)(C)C[NH3+])CCC1 308575863 573406126 /nfs/dbraw/zinc/40/61/26/573406126.db2.gz MPPRFNVOVKRMNN-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CCC[C@@H]1CCO 308578503 573410092 /nfs/dbraw/zinc/41/00/92/573410092.db2.gz IOPQWQUTERBKPD-NWDGAFQWSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)CC[N@H+]1CCC[C@H](O)C1(C)C 258646602 573414735 /nfs/dbraw/zinc/41/47/35/573414735.db2.gz DDSPIMCXLWPSBR-NSHDSACASA-N 1 1 199.338 2.268 10 0 AEAEMO C[NH+](C)[C@H](C(C)(C)C)C1(CN)CCC1 259443019 573416334 /nfs/dbraw/zinc/41/63/34/573416334.db2.gz IWXYOFGSGUBNCD-SNVBAGLBSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCCOc1ccc(C)[nH+]c1N 50440840 573423223 /nfs/dbraw/zinc/42/32/23/573423223.db2.gz LIZQQAGJZNYGCZ-UHFFFAOYSA-N 1 1 180.251 2.151 10 0 AEAEMO CC[C@]1(CO)CCC[N@H+]1CC(C)(C)C 308587248 573443147 /nfs/dbraw/zinc/44/31/47/573443147.db2.gz MVQFZUGYBIWYLZ-GFCCVEGCSA-N 1 1 199.338 2.269 10 0 AEAEMO CCCC[N@H+]1C[C@@H](O)CCC1(C)C 258657707 573443396 /nfs/dbraw/zinc/44/33/96/573443396.db2.gz DUQQHHSSYUJSSN-JTQLQIEISA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[N@@H+](CCN(C)C)[C@H](C)CC 308390097 573443511 /nfs/dbraw/zinc/44/35/11/573443511.db2.gz ZCPPHPWTTZWGQL-LLVKDONJSA-N 1 1 186.343 2.059 10 0 AEAEMO CCC[N@@H+](CCN)CC1(CC)CCC1 308586348 573445752 /nfs/dbraw/zinc/44/57/52/573445752.db2.gz SBIDPJXZLYLFDY-UHFFFAOYSA-N 1 1 198.354 2.237 10 0 AEAEMO CCCN(CC[NH3+])CC1(CC)CCC1 308586348 573445764 /nfs/dbraw/zinc/44/57/64/573445764.db2.gz SBIDPJXZLYLFDY-UHFFFAOYSA-N 1 1 198.354 2.237 10 0 AEAEMO CCCCC[C@@H]1CCC[N@H+]1[C@@H](C)CO 238219358 573446132 /nfs/dbraw/zinc/44/61/32/573446132.db2.gz MGPKPLMEXKDSSH-NWDGAFQWSA-N 1 1 199.338 2.412 10 0 AEAEMO CC(C)C[N@@H+](C)[C@@H]1C[C@H](C)CC[C@H]1N 37108360 571688807 /nfs/dbraw/zinc/68/88/07/571688807.db2.gz HFOZNPJRYKIIQG-IJLUTSLNSA-N 1 1 198.354 2.090 10 0 AEAEMO CCc1cc2[nH]c(C)c(C=O)c2c[nH+]1 142573624 573452078 /nfs/dbraw/zinc/45/20/78/573452078.db2.gz PLLORAYZUMDKGD-UHFFFAOYSA-N 1 1 188.230 2.246 10 0 AEAEMO COc1cccn2c(C3CC3)[nH+]cc12 258346927 573452137 /nfs/dbraw/zinc/45/21/37/573452137.db2.gz RCUHMDRCZBLBEA-UHFFFAOYSA-N 1 1 188.230 2.220 10 0 AEAEMO OCCCC[N@H+]1C[C@H]2CCCCC[C@@H]21 687715414 571687327 /nfs/dbraw/zinc/68/73/27/571687327.db2.gz ONZMYKTVVBXBCX-NEPJUHHUSA-N 1 1 197.322 2.023 10 0 AEAEMO CCC[N@@H+](CC1CC1)CC1(O)CCC1 687715571 571688740 /nfs/dbraw/zinc/68/87/40/571688740.db2.gz DTKNYVBADJGLQK-UHFFFAOYSA-N 1 1 197.322 2.023 10 0 AEAEMO CCC(CC)[N@@H+](C1CC1)[C@H]1CCOC1 687715308 571688781 /nfs/dbraw/zinc/68/87/81/571688781.db2.gz FYQZKBOJNPIPKI-LBPRGKRZSA-N 1 1 197.322 2.428 10 0 AEAEMO CC[N@H+](Cc1[nH]cnc1C)CC(C)C 687715583 571688787 /nfs/dbraw/zinc/68/87/87/571688787.db2.gz IFFYRRZJSCOXER-UHFFFAOYSA-N 1 1 195.310 2.196 10 0 AEAEMO CCCCC[N@H+]1CCC[C@H](N)C1(C)C 259455423 573454647 /nfs/dbraw/zinc/45/46/47/573454647.db2.gz PSIBCOCXEHLIEZ-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCN1CCC[C@H]([NH3+])C1(C)C 259455423 573454654 /nfs/dbraw/zinc/45/46/54/573454654.db2.gz PSIBCOCXEHLIEZ-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CC(C)CC[N@@H+](C)C1CCC(O)CC1 157285288 571716016 /nfs/dbraw/zinc/71/60/16/571716016.db2.gz NSKYVGIJMWPFFE-UHFFFAOYSA-N 1 1 199.338 2.268 10 0 AEAEMO FC1(F)C[NH2+][C@@H](c2ccccc2)C1 107263083 573455128 /nfs/dbraw/zinc/45/51/28/573455128.db2.gz SRAPWZXAGRRSJX-SECBINFHSA-N 1 1 183.201 2.356 10 0 AEAEMO CC[C@H](CCCO)[C@H]1CCCC[N@H+]1C 214298853 571745767 /nfs/dbraw/zinc/74/57/67/571745767.db2.gz IYMZYWCVSDAYIN-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)[C@H](CCO)[C@@H]1CCCC[N@H+]1C 214298486 571745792 /nfs/dbraw/zinc/74/57/92/571745792.db2.gz ADKNZRXQZGVRRV-RYUDHWBXSA-N 1 1 199.338 2.125 10 0 AEAEMO C[NH+](C)C[C@@H](F)c1ccccc1 107267023 573456867 /nfs/dbraw/zinc/45/68/67/573456867.db2.gz MHMQDOJQUSYUIR-SNVBAGLBSA-N 1 1 167.227 2.259 10 0 AEAEMO C[C@@H]([NH3+])c1[nH]ncc1C1CCCCC1 257814100 573456964 /nfs/dbraw/zinc/45/69/64/573456964.db2.gz ALPYZHQQPZFUED-MRVPVSSYSA-N 1 1 193.294 2.477 10 0 AEAEMO CC(C)C[C@H](C)[NH+]1CC(N)(C(C)C)C1 687801762 571803811 /nfs/dbraw/zinc/80/38/11/571803811.db2.gz HNPCDPZNBXRRTD-NSHDSACASA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H]([NH2+]CC(F)(F)C(F)F)C1CC1 235516854 571943327 /nfs/dbraw/zinc/94/33/27/571943327.db2.gz AAFFYIZSFMHWBZ-YFKPBYRVSA-N 1 1 199.191 2.275 10 0 AEAEMO C[NH+](C)C[C@@H](N)C1=CCCCCCC1 234268548 571922590 /nfs/dbraw/zinc/92/25/90/571922590.db2.gz MPZMHDFWESJULW-GFCCVEGCSA-N 1 1 196.338 2.156 10 0 AEAEMO Cc1ccc([C@]2(C)[NH2+]C[C@H](C)CO2)o1 258385722 573460517 /nfs/dbraw/zinc/46/05/17/573460517.db2.gz HMOUJGXJQQZIFX-GZMMTYOYSA-N 1 1 195.262 2.017 10 0 AEAEMO Cc1oc(C[NH3+])nc1C1CCCC1 257814569 573460548 /nfs/dbraw/zinc/46/05/48/573460548.db2.gz CMEZUYYXYSPIEX-UHFFFAOYSA-N 1 1 180.251 2.099 10 0 AEAEMO CCCCC[N@H+]1CC[C@H](O)CC1(C)C 259459308 573460555 /nfs/dbraw/zinc/46/05/55/573460555.db2.gz PYBDDHCJHSGWKJ-NSHDSACASA-N 1 1 199.338 2.412 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H]1[C@@H]1CCCC1=O 86493921 573460601 /nfs/dbraw/zinc/46/06/01/573460601.db2.gz AVEKWVMKQBDKHP-WDEREUQCSA-N 1 1 195.306 2.228 10 0 AEAEMO CC(=O)C[C@@H]1CCC[N@H+]1CC1CCC1 86497513 573465151 /nfs/dbraw/zinc/46/51/51/573465151.db2.gz XJRAGGPMFRTSKA-LBPRGKRZSA-N 1 1 195.306 2.230 10 0 AEAEMO CCn1c(CSC)c[nH+]c1C 258357067 573465237 /nfs/dbraw/zinc/46/52/37/573465237.db2.gz YYSKDNDQXCEFTK-UHFFFAOYSA-N 1 1 170.281 2.074 10 0 AEAEMO CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC1=O 86493999 573465257 /nfs/dbraw/zinc/46/52/57/573465257.db2.gz KDXMQPBVHFWXEC-WDEREUQCSA-N 1 1 195.306 2.230 10 0 AEAEMO CCCCC[N@@H+](C)[C@@H]1CCC[C@]1(C)O 308582955 573472027 /nfs/dbraw/zinc/47/20/27/573472027.db2.gz KSUFWOWBUGETRD-NEPJUHHUSA-N 1 1 199.338 2.412 10 0 AEAEMO C[C@]1(N)CC[N@H+](C2CCCCCC2)C1 219573363 571997575 /nfs/dbraw/zinc/99/75/75/571997575.db2.gz OAGLBCSPPWBTAF-LBPRGKRZSA-N 1 1 196.338 2.132 10 0 AEAEMO Cc1nc(C[NH3+])oc1C1CCCCC1 257818301 573477750 /nfs/dbraw/zinc/47/77/50/573477750.db2.gz FBSSNZAYQNDOKT-UHFFFAOYSA-N 1 1 194.278 2.489 10 0 AEAEMO CC(C)(C)[N@H+]1CC[C@@H](CCO)C1(C)C 259468992 573477860 /nfs/dbraw/zinc/47/78/60/573477860.db2.gz QPUSBUUHMQGALA-JTQLQIEISA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H]1CN[C@H](C(C)C)C[N@H+]1CC 68695484 571989168 /nfs/dbraw/zinc/98/91/68/571989168.db2.gz KLRJEJSTPHEUJU-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H]1C[NH2+][C@H](C(C)C)CN1CC 68695484 571989171 /nfs/dbraw/zinc/98/91/71/571989171.db2.gz KLRJEJSTPHEUJU-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H]1CC[C@@H]([N@@H+](C)CCCO)C[C@H]1C 300881140 572002531 /nfs/dbraw/zinc/00/25/31/572002531.db2.gz ZIVIJJAHXWFFKQ-IJLUTSLNSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)C[N@@H+](C[C@H](N)C1CC1)C(C)C 68895891 572002570 /nfs/dbraw/zinc/00/25/70/572002570.db2.gz MNYDKMXYAXKOAK-LBPRGKRZSA-N 1 1 198.354 2.090 10 0 AEAEMO CCCC[C@H](C)C[N@H+]1CCNC[C@H]1C 308392599 573479133 /nfs/dbraw/zinc/47/91/33/573479133.db2.gz LEHAIABIMKHLKO-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[C@H](C)CN1CC[NH2+]C[C@H]1C 308392599 573479138 /nfs/dbraw/zinc/47/91/38/573479138.db2.gz LEHAIABIMKHLKO-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)[N@H+](CC(=O)C1CC1)CC1CC1 68895091 572000717 /nfs/dbraw/zinc/00/07/17/572000717.db2.gz MPTNIEHSHKRPQK-UHFFFAOYSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@@H]1CC[C@H]([N@@H+](C)CCCO)C[C@H]1C 300881142 572001023 /nfs/dbraw/zinc/00/10/23/572001023.db2.gz ZIVIJJAHXWFFKQ-UTUOFQBUSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@](C)(CN)[N@@H+](C)C1CCCCC1 35176652 572015379 /nfs/dbraw/zinc/01/53/79/572015379.db2.gz JRBZAQYTUUMVOI-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@H](C)CN1[C@@H](C)C[NH2+]C[C@@H]1C 68914608 572006721 /nfs/dbraw/zinc/00/67/21/572006721.db2.gz LVTOVGCATWBVKU-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](CN)[N@@H+](C)C(C)(C)CC 68995341 572014692 /nfs/dbraw/zinc/01/46/92/572014692.db2.gz NYKNHAQGQYPAQJ-SNVBAGLBSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC(C)(C)[N@H+](C)CC(C)(C)CN 69011486 572015331 /nfs/dbraw/zinc/01/53/31/572015331.db2.gz YNUYNJPJLBXVAN-UHFFFAOYSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC(C)(C)[N@@H+](C)CC(C)(C)CN 69011486 572015332 /nfs/dbraw/zinc/01/53/32/572015332.db2.gz YNUYNJPJLBXVAN-UHFFFAOYSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC(C)(C)[N@@H+](C)C1(CN)CCCC1 68995740 572015337 /nfs/dbraw/zinc/01/53/37/572015337.db2.gz HICPMJSMJCPMFM-UHFFFAOYSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[N@@H+](CC1CCC1)[C@@H](C)[C@H](C)C[NH3+] 300239113 572018442 /nfs/dbraw/zinc/01/84/42/572018442.db2.gz ZFORPXPGBDDSGQ-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO COCCC[NH2+]c1ccc(N)c(C)c1 35278175 572018469 /nfs/dbraw/zinc/01/84/69/572018469.db2.gz ONJGCXYUGSDBPG-UHFFFAOYSA-N 1 1 194.278 2.026 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@H](C)C(C)=O 69000180 572018489 /nfs/dbraw/zinc/01/84/89/572018489.db2.gz JPRAZCBWHSOLFR-MRVPVSSYSA-N 1 1 171.284 2.084 10 0 AEAEMO CCC(C)(C)[N@H+](C)C[C@H]1CCCCN1 68998218 572018497 /nfs/dbraw/zinc/01/84/97/572018497.db2.gz SORRRYHPUBSRJP-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(C)(C)[N@@H+](C)C[C@H]1CCCCN1 68998218 572018500 /nfs/dbraw/zinc/01/85/00/572018500.db2.gz SORRRYHPUBSRJP-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@@H+](C)Cc1cc(F)ccc1N 35308520 572021491 /nfs/dbraw/zinc/02/14/91/572021491.db2.gz LOOVWSUDCJPJKE-UHFFFAOYSA-N 1 1 196.269 2.250 10 0 AEAEMO C[N@H+]1CCC[C@H](CCC2(O)CCC2)C1 258038818 573490530 /nfs/dbraw/zinc/49/05/30/573490530.db2.gz OIWXPVNJFXGKFO-LLVKDONJSA-N 1 1 197.322 2.023 10 0 AEAEMO C[N@H+]1CCC[C@@H](CCC2(O)CCC2)C1 258038822 573490591 /nfs/dbraw/zinc/49/05/91/573490591.db2.gz OIWXPVNJFXGKFO-NSHDSACASA-N 1 1 197.322 2.023 10 0 AEAEMO CC(C)[C@H](C)[NH2+][C@@H]1CCCN(C)CC1 83417998 573490655 /nfs/dbraw/zinc/49/06/55/573490655.db2.gz QIDICFLATUOPHB-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO Cc1cccc2nc(C3([NH3+])CC3)oc12 86556781 573490656 /nfs/dbraw/zinc/49/06/56/573490656.db2.gz OQOLXKJTTMEGEM-UHFFFAOYSA-N 1 1 188.230 2.084 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)[C@@](C)(CN)C1CC1 35659564 572029307 /nfs/dbraw/zinc/02/93/07/572029307.db2.gz LVDZBOVAUYVJAL-PWSUYJOCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)[C@@H](N)C[N@@H+](C)CC1CCCC1 82493350 572029308 /nfs/dbraw/zinc/02/93/08/572029308.db2.gz ZEOJJQSHXOPOGJ-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)[C@@H]([NH3+])CN(C)CC1CCCC1 82493350 572029309 /nfs/dbraw/zinc/02/93/09/572029309.db2.gz ZEOJJQSHXOPOGJ-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@](C)(CN)C1CC1 35659559 572029315 /nfs/dbraw/zinc/02/93/15/572029315.db2.gz OIUHQEKTPGHQGE-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCCC[N@@H+](C)[C@](C)(CN)C1CC1 35659563 572029354 /nfs/dbraw/zinc/02/93/54/572029354.db2.gz DNHRKIYGWXXQFI-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO N[C@H](C1CCCCC1)[C@@H]1CCCC[NH2+]1 259474321 573492334 /nfs/dbraw/zinc/49/23/34/573492334.db2.gz RYNBGUUWWOOGQF-NWDGAFQWSA-N 1 1 196.338 2.036 10 0 AEAEMO Nc1c(-c2ccoc2)[nH+]c2ccccn12 82485974 572038286 /nfs/dbraw/zinc/03/82/86/572038286.db2.gz MXQIBNIUAILFIT-UHFFFAOYSA-N 1 1 199.213 2.177 10 0 AEAEMO CN[C@@H](C)[C@H](C)[N@H+](C)CC1CCCC1 82492334 572041470 /nfs/dbraw/zinc/04/14/70/572041470.db2.gz CFJQGSUUKBIDJS-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CN[C@@H](C)[C@H](C)[N@@H+](C)CC1CCCC1 82492334 572041473 /nfs/dbraw/zinc/04/14/73/572041473.db2.gz CFJQGSUUKBIDJS-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@@H+](C)CC1CCCC1 82492677 572041506 /nfs/dbraw/zinc/04/15/06/572041506.db2.gz ZQAQVGODUFLLBI-JQWIXIFHSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCC(=O)C[N@@H+](C)CC1CCCC1 82492566 572041509 /nfs/dbraw/zinc/04/15/09/572041509.db2.gz WBRPHHDFXVPIFP-UHFFFAOYSA-N 1 1 197.322 2.478 10 0 AEAEMO CC(C)C[C@@H](C)C[C@@]1(O)CC[N@@H+](C)C1 300916197 572045138 /nfs/dbraw/zinc/04/51/38/572045138.db2.gz MLBLAULTHMYIOH-NEPJUHHUSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[N@H+]1CCC[C@H]2CCC(=O)C[C@@H]21 34113683 572055211 /nfs/dbraw/zinc/05/52/11/572055211.db2.gz YTKLOWRSQNENCY-JQWIXIFHSA-N 1 1 195.306 2.230 10 0 AEAEMO Cc1c[nH]c(Cc2ccc(O)cc2)[nH+]1 34108855 572055223 /nfs/dbraw/zinc/05/52/23/572055223.db2.gz ODNJIBSUSQLAHO-UHFFFAOYSA-N 1 1 188.230 2.015 10 0 AEAEMO [NH3+]Cc1ccccc1Nc1ccncc1 82592397 572055650 /nfs/dbraw/zinc/05/56/50/572055650.db2.gz GIYWMHLTORXZPX-UHFFFAOYSA-N 1 1 199.257 2.284 10 0 AEAEMO CC[C@@H](C)[N@@H+](CCN)C1CCCCC1 82594268 572055676 /nfs/dbraw/zinc/05/56/76/572055676.db2.gz QQAUFMFGWAYPOE-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC(CC)[N@@H+](CCN)C1CCCC1 82596444 572060419 /nfs/dbraw/zinc/06/04/19/572060419.db2.gz GZFLFWHNTMKVQM-UHFFFAOYSA-N 1 1 198.354 2.378 10 0 AEAEMO CCOC(CC)(CC)[C@H]([NH3+])C(F)F 687707314 572060427 /nfs/dbraw/zinc/06/04/27/572060427.db2.gz VTCHBZXCDWCKNN-SSDOTTSWSA-N 1 1 195.253 2.174 10 0 AEAEMO CCC[C@H](OCC)[C@@H]([NH2+]C)C(F)F 687707372 572060447 /nfs/dbraw/zinc/06/04/47/572060447.db2.gz YZZMOGLSPRWANT-JGVFFNPUSA-N 1 1 195.253 2.045 10 0 AEAEMO CCCN(c1ccc(N)c[nH+]1)C(C)C 37095641 572089481 /nfs/dbraw/zinc/08/94/81/572089481.db2.gz DCEZLYXYWPJVSJ-UHFFFAOYSA-N 1 1 193.294 2.289 10 0 AEAEMO CCC[N@@H+](CC)C[C@H](N)[C@@H](C)CC 37095212 572089531 /nfs/dbraw/zinc/08/95/31/572089531.db2.gz LALOUTZORRZYFV-QWRGUYRKSA-N 1 1 186.343 2.092 10 0 AEAEMO CCCN(CC)C[C@H]([NH3+])[C@@H](C)CC 37095212 572089534 /nfs/dbraw/zinc/08/95/34/572089534.db2.gz LALOUTZORRZYFV-QWRGUYRKSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@](C)(CC)CN 37095919 572089549 /nfs/dbraw/zinc/08/95/49/572089549.db2.gz KUYIZQLEIUJESN-LLVKDONJSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[N@@H+](C[C@@H](N)C(C)C)C(C)C 37096348 572089555 /nfs/dbraw/zinc/08/95/55/572089555.db2.gz XVUBLIDIIYAJEH-LLVKDONJSA-N 1 1 186.343 2.090 10 0 AEAEMO CCCN(C[C@@H]([NH3+])C(C)C)C(C)C 37096348 572089558 /nfs/dbraw/zinc/08/95/58/572089558.db2.gz XVUBLIDIIYAJEH-LLVKDONJSA-N 1 1 186.343 2.090 10 0 AEAEMO N[C@H](C1CCCCC1)[C@H]1CCCC[NH2+]1 259474323 573493587 /nfs/dbraw/zinc/49/35/87/573493587.db2.gz RYNBGUUWWOOGQF-VXGBXAGGSA-N 1 1 196.338 2.036 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)[C@@](C)(CN)C1CC1 36790388 572071840 /nfs/dbraw/zinc/07/18/40/572071840.db2.gz NKVDVFIKJZJWNJ-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]1C[C@H]1C[N@@H+](C)[C@@H]1CCCCC1=O 82649128 572071859 /nfs/dbraw/zinc/07/18/59/572071859.db2.gz JFDJXEFGYOCALV-GARJFASQSA-N 1 1 195.306 2.086 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@H](CN)CCC 36790269 572071957 /nfs/dbraw/zinc/07/19/57/572071957.db2.gz UAYOKZDUTCOUDQ-QWRGUYRKSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@@H]1CC[C@H]([NH3+])[C@H](N(CC)CC)C1 36879314 572073407 /nfs/dbraw/zinc/07/34/07/572073407.db2.gz JZQTUMJEWZZPAK-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)[N@H+](C)C[C@H](N)CCC 36873692 572073426 /nfs/dbraw/zinc/07/34/26/572073426.db2.gz QNLNFOZNDOWERR-WDEREUQCSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@H](C)N(C)C[C@H]([NH3+])CCC 36873692 572073428 /nfs/dbraw/zinc/07/34/28/572073428.db2.gz QNLNFOZNDOWERR-WDEREUQCSA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[N@@H+](CC)C[C@@H](N)CCC 36873551 572073439 /nfs/dbraw/zinc/07/34/39/572073439.db2.gz IQILCKXYNBSNRZ-NSHDSACASA-N 1 1 186.343 2.236 10 0 AEAEMO CCCCN(CC)C[C@@H]([NH3+])CCC 36873551 572073440 /nfs/dbraw/zinc/07/34/40/572073440.db2.gz IQILCKXYNBSNRZ-NSHDSACASA-N 1 1 186.343 2.236 10 0 AEAEMO CCCCC[N@H+]1CCC[C@H](C(C)=O)C1 82644527 572078334 /nfs/dbraw/zinc/07/83/34/572078334.db2.gz XJPNFXXHJQSBGE-LBPRGKRZSA-N 1 1 197.322 2.478 10 0 AEAEMO CC(=O)[C@H]1CCC[N@H+](CCC(C)C)C1 82644608 572078386 /nfs/dbraw/zinc/07/83/86/572078386.db2.gz QNSQJZHYLMSIMV-LBPRGKRZSA-N 1 1 197.322 2.334 10 0 AEAEMO CCCCNc1ccc(N(C)C)[nH+]c1 36989130 572078414 /nfs/dbraw/zinc/07/84/14/572078414.db2.gz PNFDKLPSKWZPFR-UHFFFAOYSA-N 1 1 193.294 2.360 10 0 AEAEMO CC[C@H]1CCCC[C@@H]1[N@@H+](CC)CCO 82658697 572078418 /nfs/dbraw/zinc/07/84/18/572078418.db2.gz OQQRPPQOSDTAAI-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO [NH3+]Cc1n[nH]cc1C1CCCCCC1 257821452 573493835 /nfs/dbraw/zinc/49/38/35/573493835.db2.gz DVXPVFPXIGHYET-UHFFFAOYSA-N 1 1 193.294 2.306 10 0 AEAEMO CC[C@H](C)[C@H](N)C[N@@H+](C)[C@@H](C)CC 37110421 572096277 /nfs/dbraw/zinc/09/62/77/572096277.db2.gz OFGXJWIPEOLCIT-GARJFASQSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@@H](CN)C(C)C 37112550 572097051 /nfs/dbraw/zinc/09/70/51/572097051.db2.gz JBVCCXLWSSWBFM-QWRGUYRKSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)C1(CN)CCCC1 37112733 572097054 /nfs/dbraw/zinc/09/70/54/572097054.db2.gz AYGMTFUHIHOSRS-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@H](C)CC(C)=O 82791791 572111244 /nfs/dbraw/zinc/11/12/44/572111244.db2.gz JJTWPHBCDSNSNN-SNVBAGLBSA-N 1 1 185.311 2.332 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)[C@@H](C)CC(C)=O 82791786 572111259 /nfs/dbraw/zinc/11/12/59/572111259.db2.gz JERSRPZXFNODND-BDAKNGLRSA-N 1 1 171.284 2.084 10 0 AEAEMO CCNC(C)(C)C[NH2+]C1(C)CCCC1 82785841 572111263 /nfs/dbraw/zinc/11/12/63/572111263.db2.gz DXUIZQHQGIANAK-UHFFFAOYSA-N 1 1 198.354 2.297 10 0 AEAEMO CC(=O)C[C@@H](C)[N@@H+](C)[C@@H](C)C1CC1 82791830 572111273 /nfs/dbraw/zinc/11/12/73/572111273.db2.gz ZQMSHTPUVHQHOF-SCZZXKLOSA-N 1 1 183.295 2.084 10 0 AEAEMO CC(=O)CCC[N@@H+]1CCCC[C@H]1C 37322568 572111573 /nfs/dbraw/zinc/11/15/73/572111573.db2.gz CRNQSUDJXQYTRL-SNVBAGLBSA-N 1 1 183.295 2.230 10 0 AEAEMO CC(=O)C[C@@H](C)[N@@H+](C)C1CCCC1 82791762 572111580 /nfs/dbraw/zinc/11/15/80/572111580.db2.gz LITBPBSHQOKGDY-SECBINFHSA-N 1 1 183.295 2.228 10 0 AEAEMO CCC[N@@H+](CC)[C@@H]1CCCCC1=O 37334883 572111588 /nfs/dbraw/zinc/11/15/88/572111588.db2.gz HEYWVCMIKUDOBQ-SNVBAGLBSA-N 1 1 183.295 2.230 10 0 AEAEMO CCC[N@H+](CC)CC(=O)c1ccco1 37334953 572111607 /nfs/dbraw/zinc/11/16/07/572111607.db2.gz REZAEMVUBKGZOC-UHFFFAOYSA-N 1 1 195.262 2.194 10 0 AEAEMO CCC[N@@H+](CC)CC(=O)c1ccco1 37334953 572111610 /nfs/dbraw/zinc/11/16/10/572111610.db2.gz REZAEMVUBKGZOC-UHFFFAOYSA-N 1 1 195.262 2.194 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@@H](C)CC(C)=O 82791797 572111621 /nfs/dbraw/zinc/11/16/21/572111621.db2.gz FTTYOJHOVXFBMV-UWVGGRQHSA-N 1 1 185.311 2.474 10 0 AEAEMO CCCC[N@@H+](CC)[C@@H](C)CC(C)=O 82791657 572111685 /nfs/dbraw/zinc/11/16/85/572111685.db2.gz BUVBPNDYFKIKPL-JTQLQIEISA-N 1 1 185.311 2.476 10 0 AEAEMO CC[C@@H](C)[C@@H](N)C[NH2+]C1(C)CCCC1 82785852 572111708 /nfs/dbraw/zinc/11/17/08/572111708.db2.gz FKQKMYHPCYKJRC-MNOVXSKESA-N 1 1 198.354 2.282 10 0 AEAEMO CCC[N@@H+](CC)[C@H]1CCCCC1=O 37334885 572111730 /nfs/dbraw/zinc/11/17/30/572111730.db2.gz HEYWVCMIKUDOBQ-JTQLQIEISA-N 1 1 183.295 2.230 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)[C@@H]1CCCC1=O 37336514 572111739 /nfs/dbraw/zinc/11/17/39/572111739.db2.gz FYAHPZWGHUMOFP-NXEZZACHSA-N 1 1 183.295 2.228 10 0 AEAEMO CCCC[N@@H+](C)CCCC(C)=O 37322379 572111789 /nfs/dbraw/zinc/11/17/89/572111789.db2.gz SYNFHRLWXGSIIZ-UHFFFAOYSA-N 1 1 171.284 2.088 10 0 AEAEMO CCC[C@@H]1CN[C@@H](CC)C[N@H+]1C(C)C 82936615 572181356 /nfs/dbraw/zinc/18/13/56/572181356.db2.gz CXEFBWADJMZUIA-NWDGAFQWSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@@H]1C[NH2+][C@@H](CC)CN1C(C)C 82936615 572181358 /nfs/dbraw/zinc/18/13/58/572181358.db2.gz CXEFBWADJMZUIA-NWDGAFQWSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@H]1CN[C@H]([C@@H](C)CC)C[N@@H+]1C 82937496 572181364 /nfs/dbraw/zinc/18/13/64/572181364.db2.gz PBWQXKOQQHGJBF-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H]1CN[C@H]([C@@H](C)CC)C[N@H+]1C 82937496 572181365 /nfs/dbraw/zinc/18/13/65/572181365.db2.gz PBWQXKOQQHGJBF-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CNC(CC)(CC)C[N@H+]1CC 82938583 572181373 /nfs/dbraw/zinc/18/13/73/572181373.db2.gz OQCFIULGQNJEGG-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H]1C[NH2+]C(CC)(CC)CN1CC 82938583 572181374 /nfs/dbraw/zinc/18/13/74/572181374.db2.gz OQCFIULGQNJEGG-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)[C@@H](C)C(=O)CC 82946876 572181381 /nfs/dbraw/zinc/18/13/81/572181381.db2.gz PNDIQLAAAYSIES-ZJUUUORDSA-N 1 1 185.311 2.474 10 0 AEAEMO CC(C)[N@@H+](C)C1(CN)CCCCCC1 19509432 572187315 /nfs/dbraw/zinc/18/73/15/572187315.db2.gz NZAMAHATOBSJFC-UHFFFAOYSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC(CC)(CC)[N@H+]1CC[C@H](CO)C1 83388392 572208187 /nfs/dbraw/zinc/20/81/87/572208187.db2.gz OISMTXLTWMYJCV-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H]1CC[N@H+]1CCCCCCO 308399540 573504808 /nfs/dbraw/zinc/50/48/08/573504808.db2.gz HKKXDESEQUOZMZ-NSHDSACASA-N 1 1 185.311 2.023 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)[C@@H]1CCCC(=O)C1 86600038 573504843 /nfs/dbraw/zinc/50/48/43/573504843.db2.gz JRAOBMIXWKZDEX-GHMZBOCLSA-N 1 1 197.322 2.474 10 0 AEAEMO C[N@@H+](C1CCCC1)[C@@H]1CCCC(=O)C1 86599956 573504858 /nfs/dbraw/zinc/50/48/58/573504858.db2.gz HKUPEZZMUXRKAN-LLVKDONJSA-N 1 1 195.306 2.373 10 0 AEAEMO C/C=C\C[N@H+]1C[C@@H](CC)NCC1(C)C 308399712 573505962 /nfs/dbraw/zinc/50/59/62/573505962.db2.gz FSDBMQAVMMFHAC-JPVGGKMYSA-N 1 1 196.338 2.025 10 0 AEAEMO C/C=C\C[N@@H+]1C[C@@H](CC)NCC1(C)C 308399712 573505966 /nfs/dbraw/zinc/50/59/66/573505966.db2.gz FSDBMQAVMMFHAC-JPVGGKMYSA-N 1 1 196.338 2.025 10 0 AEAEMO C[N@@H+](CCN)[C@H]1CCCC(C)(C)CC1 83436344 573505992 /nfs/dbraw/zinc/50/59/92/573505992.db2.gz MTRXTVGBIBHVFS-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CN(CC[NH3+])[C@H]1CCCC(C)(C)CC1 83436344 573506000 /nfs/dbraw/zinc/50/60/00/573506000.db2.gz MTRXTVGBIBHVFS-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO C/C=C\CNCC[N@H+](C)C1CCCC1 308400216 573506142 /nfs/dbraw/zinc/50/61/42/573506142.db2.gz JMHWVYMVMSXXAB-ARJAWSKDSA-N 1 1 196.338 2.027 10 0 AEAEMO C/C=C\CNCC[N@@H+](C)C1CCCC1 308400216 573506146 /nfs/dbraw/zinc/50/61/46/573506146.db2.gz JMHWVYMVMSXXAB-ARJAWSKDSA-N 1 1 196.338 2.027 10 0 AEAEMO CCC(CC)[NH2+][C@H]1CCCC[C@H]1N 87156850 572379701 /nfs/dbraw/zinc/37/97/01/572379701.db2.gz NAVRFLSNULBIIN-MNOVXSKESA-N 1 1 184.327 2.035 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCC[C@@H]1CCCO 52762763 572387263 /nfs/dbraw/zinc/38/72/63/572387263.db2.gz RQYBMSPOCSNZPR-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC(CC)[N@H+]1CCNC[C@]1(C)CC 87175477 572387286 /nfs/dbraw/zinc/38/72/86/572387286.db2.gz ATPSYCAWOHKABV-LBPRGKRZSA-N 1 1 198.354 2.249 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1[C@@H]1CCCC(=O)C1 86599853 573506449 /nfs/dbraw/zinc/50/64/49/573506449.db2.gz HEKYYVPVFUCOBC-GHMZBOCLSA-N 1 1 195.306 2.373 10 0 AEAEMO CC[C@@H]1CCC[C@@](C[NH3+])(N(C)C)CC1 83435984 573506516 /nfs/dbraw/zinc/50/65/16/573506516.db2.gz RWICDQUNEGAPKK-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[NH2+]Cc1c[nH]c([C@@H]2C[C@H]2C)n1 83810698 572414457 /nfs/dbraw/zinc/41/44/57/572414457.db2.gz PASUOWOXJCISKV-PSASIEDQSA-N 1 1 193.294 2.033 10 0 AEAEMO OCC[N@@H+](CC1CCC1)C1CCCC1 83841926 572418768 /nfs/dbraw/zinc/41/87/68/572418768.db2.gz HCZMCFPESAYJSQ-UHFFFAOYSA-N 1 1 197.322 2.023 10 0 AEAEMO C[C@H](C1CC1)[N@@H+](C)[C@@H]1CCC[C@H](O)C1 86601952 573511982 /nfs/dbraw/zinc/51/19/82/573511982.db2.gz KTGPBYCOTJCBOE-JLLWLGSASA-N 1 1 197.322 2.020 10 0 AEAEMO CC1=C([C@H](C)O)CC[C@H]2CCCC[N@H+]12 238423026 573512025 /nfs/dbraw/zinc/51/20/25/573512025.db2.gz SGXOXOWWEFTEGZ-WDEREUQCSA-N 1 1 195.306 2.290 10 0 AEAEMO Cc1[nH+]cn([C@@H]2CCCC(=O)C2)c1C 86602757 573512178 /nfs/dbraw/zinc/51/21/78/573512178.db2.gz FAUAMQQQNIWKDZ-SNVBAGLBSA-N 1 1 192.262 2.184 10 0 AEAEMO C[N@@H+](C1CCCC1)[C@@H]1CCC[C@H](O)C1 86601862 573512586 /nfs/dbraw/zinc/51/25/86/573512586.db2.gz FUYPRWXEMLBULU-NEPJUHHUSA-N 1 1 197.322 2.164 10 0 AEAEMO CCC(C)(C)C[C@@]1(O)C[C@@H](C)[N@@H+](C)C1 713267268 572504710 /nfs/dbraw/zinc/50/47/10/572504710.db2.gz OPWNCBIKFFLOFU-PWSUYJOCSA-N 1 1 199.338 2.268 10 0 AEAEMO CC1(NC[C@H]2CCC[NH2+]2)CCCCC1 45047231 572504716 /nfs/dbraw/zinc/50/47/16/572504716.db2.gz FPGPJUUMQSQXGP-LLVKDONJSA-N 1 1 196.338 2.051 10 0 AEAEMO CCN[C@H](C)C[N@@H+]1CCC[C@@H]1C(C)C 84125796 572504732 /nfs/dbraw/zinc/50/47/32/572504732.db2.gz RCWLDMBNQPDNJW-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCN[C@H](C)C[N@H+]1CCC[C@@H]1C(C)C 84125796 572504734 /nfs/dbraw/zinc/50/47/34/572504734.db2.gz RCWLDMBNQPDNJW-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(=O)C[N@H+]1CC[C@H](CC(C)C)C1 307780764 572505449 /nfs/dbraw/zinc/50/54/49/572505449.db2.gz KQJMUJKZGAVECO-LLVKDONJSA-N 1 1 197.322 2.334 10 0 AEAEMO CC1(NC[C@@H]2CCC[NH2+]2)CCCCC1 45047230 572505468 /nfs/dbraw/zinc/50/54/68/572505468.db2.gz FPGPJUUMQSQXGP-NSHDSACASA-N 1 1 196.338 2.051 10 0 AEAEMO CCC(C)(C)C[C@]1(O)C[C@@H](C)[N@@H+](C)C1 713267273 572505516 /nfs/dbraw/zinc/50/55/16/572505516.db2.gz OPWNCBIKFFLOFU-ZYHUDNBSSA-N 1 1 199.338 2.268 10 0 AEAEMO CN(CC(C)(C)C)c1[nH+]cccc1N 45070986 572507244 /nfs/dbraw/zinc/50/72/44/572507244.db2.gz TVGRJXBKUWWFBB-UHFFFAOYSA-N 1 1 193.294 2.146 10 0 AEAEMO CC[N@@H+](C)[C@H](CN)CC1CCCCC1 87473506 572507286 /nfs/dbraw/zinc/50/72/86/572507286.db2.gz BVNOTGFVIZUBOJ-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCN(C)[C@H](C[NH3+])CC1CCCCC1 87473506 572507292 /nfs/dbraw/zinc/50/72/92/572507292.db2.gz BVNOTGFVIZUBOJ-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCc1[nH+]ccn1[C@@H]1CCCC(=O)C1 86601695 573513796 /nfs/dbraw/zinc/51/37/96/573513796.db2.gz CRIIGNJLNRSLTN-SECBINFHSA-N 1 1 192.262 2.130 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)[C@@H]1CCC[C@H](O)C1 86601976 573513854 /nfs/dbraw/zinc/51/38/54/573513854.db2.gz OZXCDLHLMQPFTM-TUAOUCFPSA-N 1 1 199.338 2.266 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@@H]1CCC[C@H](O)C1 86602623 573513868 /nfs/dbraw/zinc/51/38/68/573513868.db2.gz IGJDPSXXDCMRKB-MNOVXSKESA-N 1 1 199.338 2.410 10 0 AEAEMO CC[NH2+]CC(C)(C)NCCC(C)C 313209985 572535297 /nfs/dbraw/zinc/53/52/97/572535297.db2.gz MYLCDNVUAOMLJA-UHFFFAOYSA-N 1 1 186.343 2.010 10 0 AEAEMO CC1(C)CCCC[N@H+]1[C@H]1CCC[C@H]1N 250793131 572535396 /nfs/dbraw/zinc/53/53/96/572535396.db2.gz KOKUNGCDTIAZPK-MNOVXSKESA-N 1 1 196.338 2.131 10 0 AEAEMO CC1(C)CCC[N@H+]1[C@H]1CCC[C@H](O)C1 86602529 573514063 /nfs/dbraw/zinc/51/40/63/573514063.db2.gz DUKHXNCYDBTTKZ-QWRGUYRKSA-N 1 1 197.322 2.164 10 0 AEAEMO CC(C)[C@H]1CCC[N@H+]1[C@@H]1CCC(=O)C1 86618617 573518727 /nfs/dbraw/zinc/51/87/27/573518727.db2.gz BYAMJYMPHYRMHD-ZYHUDNBSSA-N 1 1 195.306 2.228 10 0 AEAEMO C[N@@H+](CC(C)(C)C)[C@H]1CCC(=O)C1 86618037 573518923 /nfs/dbraw/zinc/51/89/23/573518923.db2.gz LFUSAKFGZLMTQS-VIFPVBQESA-N 1 1 183.295 2.086 10 0 AEAEMO C[C@H]1CCC[N@H+]([C@@H]2CCC(=O)C2)CC1 86618529 573518934 /nfs/dbraw/zinc/51/89/34/573518934.db2.gz JKLSFDDPKWTISM-WDEREUQCSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)C[C@H]1CC[N@H+](C(C)(C)CO)C1 307849831 572619112 /nfs/dbraw/zinc/61/91/12/572619112.db2.gz ZYUYDOPCSIHYCS-LLVKDONJSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@@H](C)NCC(C)(C)C1 251762224 572635453 /nfs/dbraw/zinc/63/54/53/572635453.db2.gz HSPOUQIIDJAYBA-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)N1C[C@@H](C)[NH2+]CC(C)(C)C1 251762224 572635457 /nfs/dbraw/zinc/63/54/57/572635457.db2.gz HSPOUQIIDJAYBA-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H]1C(=O)CC[N@@H+](CC2(C)CC2)[C@@H]1C 235287251 572662646 /nfs/dbraw/zinc/66/26/46/572662646.db2.gz ICGXVKFCEFQUSX-VHSXEESVSA-N 1 1 195.306 2.086 10 0 AEAEMO CCC(CC)C[NH2+]C[C@](C)(N)CC 130412629 573530715 /nfs/dbraw/zinc/53/07/15/573530715.db2.gz YUWSXIZHTQIKRU-LLVKDONJSA-N 1 1 186.343 2.140 10 0 AEAEMO C[NH2+][C@@H](c1ccc(C)cc1C)N(C)C 259490822 573531483 /nfs/dbraw/zinc/53/14/83/573531483.db2.gz LDIUTEAKYNGJGT-GFCCVEGCSA-N 1 1 192.306 2.083 10 0 AEAEMO CC[C@@H](C)[N@H+]1C[C@H](CCO)CC1(C)C 259488600 573531667 /nfs/dbraw/zinc/53/16/67/573531667.db2.gz RXTLKJMCGPBSMC-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H](N)C[NH2+]CC(CC)CC 130422257 573535488 /nfs/dbraw/zinc/53/54/88/573535488.db2.gz XIKJYDHRVXVUNA-NSHDSACASA-N 1 1 186.343 2.140 10 0 AEAEMO CC[N@H+]1CCC[C@@H](n2cccc2)C1 49224359 572747220 /nfs/dbraw/zinc/74/72/20/572747220.db2.gz RRCIHIBYGLRIJW-LLVKDONJSA-N 1 1 178.279 2.145 10 0 AEAEMO Cc1nc(-n2cc[nH+]c2C)sc1C 83533612 573541580 /nfs/dbraw/zinc/54/15/80/573541580.db2.gz HOUMFJYDMNJEOR-UHFFFAOYSA-N 1 1 193.275 2.254 10 0 AEAEMO CCC[N@@H+](C1CC1)[C@@H]1CCC[C@@]1(C)O 308611818 573545874 /nfs/dbraw/zinc/54/58/74/573545874.db2.gz YQCGWGNUIOXFCX-VXGBXAGGSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[N@@H+](C)Cc1ccc(NC)cc1 259117970 573545969 /nfs/dbraw/zinc/54/59/69/573545969.db2.gz VRBLKHJBPMKMGW-UHFFFAOYSA-N 1 1 178.279 2.180 10 0 AEAEMO [NH3+]Cc1ncc(CC2CCCCC2)o1 83554518 573546101 /nfs/dbraw/zinc/54/61/01/573546101.db2.gz HRHRHKWVPFJHLR-UHFFFAOYSA-N 1 1 194.278 2.256 10 0 AEAEMO CC(C)C[C@H]1CNCC[N@H+]1C(C)(C)C 107092255 572760356 /nfs/dbraw/zinc/76/03/56/572760356.db2.gz CGKLFPFCOKBMFM-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)CC[N@H+]1C[C@H](N)CCC1(C)C 258770275 573549249 /nfs/dbraw/zinc/54/92/49/573549249.db2.gz LGFFKASALORHOX-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCN1C[C@H]([NH3+])CCC1(C)C 258770275 573549254 /nfs/dbraw/zinc/54/92/54/573549254.db2.gz LGFFKASALORHOX-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@]1(CN)CC[C@@H]1C 308628261 573549361 /nfs/dbraw/zinc/54/93/61/573549361.db2.gz XTCGYCPYKIQLAM-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H]([NH2+]Cc1ccn[nH]1)C1CC1 126526665 573557209 /nfs/dbraw/zinc/55/72/09/573557209.db2.gz SQALQVUSCJRDON-LLVKDONJSA-N 1 1 193.294 2.078 10 0 AEAEMO C[C@@H]1CC[C@H](CCCO)[N@H+]2CCC[C@H]12 223129700 573557281 /nfs/dbraw/zinc/55/72/81/573557281.db2.gz CUGACFPMWHBUOF-GRYCIOLGSA-N 1 1 197.322 2.022 10 0 AEAEMO [NH3+]CC(F)(F)[C@H](F)c1ccccc1 257830666 573559656 /nfs/dbraw/zinc/55/96/56/573559656.db2.gz JAUJONVJSGWJPZ-MRVPVSSYSA-N 1 1 189.180 2.291 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCC[C@@H](CO)C1(C)C 259508675 573561691 /nfs/dbraw/zinc/56/16/91/573561691.db2.gz UHSUTWBCKXYOHG-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H](F)CC[N@@H+](C)CC1CCC1 307957289 572841533 /nfs/dbraw/zinc/84/15/33/572841533.db2.gz SAPDFJXJAGHATJ-VIFPVBQESA-N 1 1 173.275 2.466 10 0 AEAEMO CCC[C@](C)(CN)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86008997 572843622 /nfs/dbraw/zinc/84/36/22/572843622.db2.gz CWZIGZYQPZMQPA-GRYCIOLGSA-N 1 1 198.354 2.092 10 0 AEAEMO c1ccc2c(c1)C[N@@H+]1C[C@@H]3C[C@@H]3[C@@H]21 257831402 573562968 /nfs/dbraw/zinc/56/29/68/573562968.db2.gz JPYIRACNWAUDPJ-ZMLRMANQSA-N 1 1 171.243 2.193 10 0 AEAEMO CC[NH2+][C@H](C=C(C)C)c1ncccn1 86027326 572844925 /nfs/dbraw/zinc/84/49/25/572844925.db2.gz DCIFUPKHOZMBCY-SNVBAGLBSA-N 1 1 191.278 2.093 10 0 AEAEMO CCCC[N@@H+](C)[C@](C)(CC)[C@H](C)O 308146049 572854731 /nfs/dbraw/zinc/85/47/31/572854731.db2.gz NYRLZTAQYIMIGE-WDEREUQCSA-N 1 1 187.327 2.268 10 0 AEAEMO CC(C)c1nc2c(s1)[C@@H](C)[NH2+]C2 75463889 572857070 /nfs/dbraw/zinc/85/70/70/572857070.db2.gz ASEBOYYOVRBGQS-ZCFIWIBFSA-N 1 1 182.292 2.431 10 0 AEAEMO C[C@@H]1CCC[C@@H]([N@@H+]2CCC(=O)C2)CC1 235379682 572867403 /nfs/dbraw/zinc/86/74/03/572867403.db2.gz KUBFMVMCJZNQBE-GHMZBOCLSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@@H]1CCC[C@@H]([N@H+]2CCC(=O)C2)CC1 235379682 572867404 /nfs/dbraw/zinc/86/74/04/572867404.db2.gz KUBFMVMCJZNQBE-GHMZBOCLSA-N 1 1 195.306 2.230 10 0 AEAEMO CSC[C@H]1CC[N@@H+](CCCF)C1 308172726 572892202 /nfs/dbraw/zinc/89/22/02/572892202.db2.gz XNWDHQZSNINZBE-VIFPVBQESA-N 1 1 191.315 2.031 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCC[C@@]1(C)CO 308168714 572889954 /nfs/dbraw/zinc/88/99/54/572889954.db2.gz AOHJBQFTXCDPRK-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO CC(C)CC[C@@H](O)C[N@@H+](C)C(C)C 308168572 572890215 /nfs/dbraw/zinc/89/02/15/572890215.db2.gz YOSNGJQHUABOGD-LLVKDONJSA-N 1 1 187.327 2.124 10 0 AEAEMO CCCCC[N@H+]1CC[C@H](O)C[C@@H]1C 308171581 572892059 /nfs/dbraw/zinc/89/20/59/572892059.db2.gz BOKWOGUHBUTVJX-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO CC(C)C(=O)C[N@@H+](C)CC(C)(C)C 86276459 572903696 /nfs/dbraw/zinc/90/36/96/572903696.db2.gz ZCARGLXFJRBRJZ-UHFFFAOYSA-N 1 1 185.311 2.189 10 0 AEAEMO CC(C)C(=O)C[N@H+](C)[C@H](C)C(C)C 86276345 572903720 /nfs/dbraw/zinc/90/37/20/572903720.db2.gz QICKYYWPNMPIPR-SNVBAGLBSA-N 1 1 185.311 2.188 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)CC(=O)C(C)C 86276349 572903789 /nfs/dbraw/zinc/90/37/89/572903789.db2.gz FQMWDBFTRVUHKX-JTQLQIEISA-N 1 1 185.311 2.332 10 0 AEAEMO CC[C@H](C)[NH2+]c1ccc(N)cc1OC 86687419 573572901 /nfs/dbraw/zinc/57/29/01/573572901.db2.gz VPUYXSNFARXQMC-QMMMGPOBSA-N 1 1 194.278 2.488 10 0 AEAEMO COc1cc(N)ccc1[NH2+]C(C)C 86687438 573573037 /nfs/dbraw/zinc/57/30/37/573573037.db2.gz KHZXSPAOUJVCHC-UHFFFAOYSA-N 1 1 180.251 2.098 10 0 AEAEMO C[C@@H]1CC[N@H+]2Cc3ccccc3N[C@@H]12 238433329 573573127 /nfs/dbraw/zinc/57/31/27/573573127.db2.gz ZQNVTVYKKPROFO-BXKDBHETSA-N 1 1 188.274 2.280 10 0 AEAEMO CCCCc1nc([C@@H](C)[NH2+]C)c[nH]1 308189263 572917247 /nfs/dbraw/zinc/91/72/47/572917247.db2.gz MJBNPOSZBPXQDX-MRVPVSSYSA-N 1 1 181.283 2.033 10 0 AEAEMO CC[N@@H+](CC(C)(C)C)[C@H](C)[C@H](C)N 308195086 572925539 /nfs/dbraw/zinc/92/55/39/572925539.db2.gz MCJQEZAEIJFDKN-VHSXEESVSA-N 1 1 186.343 2.090 10 0 AEAEMO CC(C)(C)N[C@@H](C[NH3+])c1ccccc1 238110182 572937905 /nfs/dbraw/zinc/93/79/05/572937905.db2.gz OAVPBCSAYJNAOS-NSHDSACASA-N 1 1 192.306 2.075 10 0 AEAEMO CCC(C)(C)C(=O)C[N@@H+](C)C1CC1 308195443 572937969 /nfs/dbraw/zinc/93/79/69/572937969.db2.gz MGNOFYWDMTYPPI-UHFFFAOYSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC[NH2+]C[C@@H]1CCCN1[C@@H](C)CC 86386648 572925941 /nfs/dbraw/zinc/92/59/41/572925941.db2.gz FFYPHTDCHCLCAG-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCSCc1ncc([C@@H](C)[NH3+])[nH]1 308201008 572930019 /nfs/dbraw/zinc/93/00/19/572930019.db2.gz VDZFVAIDZQRZNM-SSDOTTSWSA-N 1 1 199.323 2.073 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCNCC1(CC)CC 86394452 572930183 /nfs/dbraw/zinc/93/01/83/572930183.db2.gz JJELKFWCBTYEBA-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(=O)CC[N@H+]1C[C@@H]2CCCCC[C@H]21 687935456 572940005 /nfs/dbraw/zinc/94/00/05/572940005.db2.gz PYGLKKXKVGNDIC-NWDGAFQWSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@H](C)[C@@H](C)[N@@H+](C)[C@@H](CN)C1CC1 126583455 573576702 /nfs/dbraw/zinc/57/67/02/573576702.db2.gz MTOBPFDTYWOSIH-UMNHJUIQSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@@H](c1cccc(N)c1)[N@H+]1CC[C@H]1C 86687874 573576770 /nfs/dbraw/zinc/57/67/70/573576770.db2.gz LREOLWNCBDLDDL-ZJUUUORDSA-N 1 1 190.290 2.424 10 0 AEAEMO C[C@@H]1CC[C@@H](C)c2c1[nH+]cn2C 76087536 572941434 /nfs/dbraw/zinc/94/14/34/572941434.db2.gz OETUXXKDOMHJNS-HTQZYQBOSA-N 1 1 164.252 2.421 10 0 AEAEMO CC(=O)CC[N@H+]1C[C@H]2CCCCC[C@@H]21 687935454 572941491 /nfs/dbraw/zinc/94/14/91/572941491.db2.gz PYGLKKXKVGNDIC-NEPJUHHUSA-N 1 1 195.306 2.230 10 0 AEAEMO CCCC[N@@H+](C)CC[C@@H]1CCC[C@@H]1O 86536108 572952777 /nfs/dbraw/zinc/95/27/77/572952777.db2.gz WFODBEPIMPKNRJ-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[N@@H+](CC[C@@H]1CCC[C@@H]1O)C1CC1 86536146 572952829 /nfs/dbraw/zinc/95/28/29/572952829.db2.gz FZYQWMUSGXKRLA-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO Cc1nc(C(C)(C)[NH3+])[nH]c1CC(C)C 258800389 573585580 /nfs/dbraw/zinc/58/55/80/573585580.db2.gz WSSLJERANSJFGW-UHFFFAOYSA-N 1 1 195.310 2.110 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@H]1CC[C@H](O)C1 86620442 572966657 /nfs/dbraw/zinc/96/66/57/572966657.db2.gz MHMVRCJZGIXAMO-QWRGUYRKSA-N 1 1 185.311 2.020 10 0 AEAEMO CCCCC[N@@H+](C)[C@H]1CCC(=O)C1 86617863 572966691 /nfs/dbraw/zinc/96/66/91/572966691.db2.gz HKFZXGIXPRTUOC-JTQLQIEISA-N 1 1 183.295 2.230 10 0 AEAEMO CC(C)C[C@@H](C)[N@@H+](C)[C@@H]1CCC(=O)C1 86617992 572966708 /nfs/dbraw/zinc/96/67/08/572966708.db2.gz BOFHBRBBOBRBJF-GHMZBOCLSA-N 1 1 197.322 2.474 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@@H]1CCC(=O)C1 86617848 572966759 /nfs/dbraw/zinc/96/67/59/572966759.db2.gz PROWNCOQPHWYKQ-SNVBAGLBSA-N 1 1 183.295 2.228 10 0 AEAEMO CCCC[N@@H+](CC)[C@H]1CC[C@H](O)C1 86620291 572966766 /nfs/dbraw/zinc/96/67/66/572966766.db2.gz RREQGMWIVXFXCT-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO CNC(C)(C)C[NH2+]CC1CCCCC1 258801680 573585642 /nfs/dbraw/zinc/58/56/42/573585642.db2.gz DKDACNXDGKGRJN-UHFFFAOYSA-N 1 1 198.354 2.154 10 0 AEAEMO C[NH2+][C@H]1CC[C@H]([N@@H+](C)CC(C)(C)C)C1 86619234 572966832 /nfs/dbraw/zinc/96/68/32/572966832.db2.gz SBDFJEDIGYKZEV-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO Cc1ccc([C@H]2[NH2+]CC(C)(C)CO2)o1 258468294 572998965 /nfs/dbraw/zinc/99/89/65/572998965.db2.gz KVCNPRVZIPFQOZ-JTQLQIEISA-N 1 1 195.262 2.233 10 0 AEAEMO C[N@H+](Cc1ccc[nH]1)CC1CCC1 308405030 573587197 /nfs/dbraw/zinc/58/71/97/573587197.db2.gz JGEGGVFONYFDQB-UHFFFAOYSA-N 1 1 178.279 2.247 10 0 AEAEMO CC[C@@H](N)C[N@@H+](CC(C)C)C(C)C 42593478 573000009 /nfs/dbraw/zinc/00/00/09/573000009.db2.gz OWBZDEVJLWZBLE-LLVKDONJSA-N 1 1 186.343 2.090 10 0 AEAEMO CC(C)[C@@H](N)C[N@@H+](CC1CC1)C(C)C 42593637 573000263 /nfs/dbraw/zinc/00/02/63/573000263.db2.gz CBIMRSGNTZQHLK-LBPRGKRZSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@@H]([NH3+])CN(CC1CC1)C(C)C 42593637 573000265 /nfs/dbraw/zinc/00/02/65/573000265.db2.gz CBIMRSGNTZQHLK-LBPRGKRZSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC(CC)[N@@H+](C)C[C@H](C)COC 308219074 573000270 /nfs/dbraw/zinc/00/02/70/573000270.db2.gz KKMQMRDIXDOWDE-JTQLQIEISA-N 1 1 187.327 2.389 10 0 AEAEMO CCC[C@@H](N)C[N@H+]1CC[C@@H](C)C[C@H]1C 308475537 573010686 /nfs/dbraw/zinc/01/06/86/573010686.db2.gz KYBWFAMXUZRDMT-IJLUTSLNSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]1CCC[C@H]([N@H+]2CCC[C@H]2CO)C1 85397042 573010687 /nfs/dbraw/zinc/01/06/87/573010687.db2.gz QWKAECQQIDRAQA-WOPDTQHZSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[C@@H]([NH3+])CN1CC[C@@H](C)C[C@H]1C 308475537 573010694 /nfs/dbraw/zinc/01/06/94/573010694.db2.gz KYBWFAMXUZRDMT-IJLUTSLNSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]1CCCC[C@@H]1[N@H+]1CC[C@@H](O)C1 85418202 573014068 /nfs/dbraw/zinc/01/40/68/573014068.db2.gz USBXDEFMQYJWFT-TUAOUCFPSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCCC[N@H+]1CCOCC[C@H]1C 308223426 573014511 /nfs/dbraw/zinc/01/45/11/573014511.db2.gz MERRROXGAWDRKQ-LLVKDONJSA-N 1 1 185.311 2.287 10 0 AEAEMO CC[C@H](C)[NH2+][C@@H]1CCCc2[nH]ncc21 306997271 573019378 /nfs/dbraw/zinc/01/93/78/573019378.db2.gz VQDADDMRDBLIJQ-WCBMZHEXSA-N 1 1 193.294 2.175 10 0 AEAEMO CC(C)CC[N@H+]1C[C@H](CO)CC1(C)C 259519261 573588296 /nfs/dbraw/zinc/58/82/96/573588296.db2.gz VEPDUZWZJURSHZ-LLVKDONJSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H](C/C=C\CO)C1 258223994 573020042 /nfs/dbraw/zinc/02/00/42/573020042.db2.gz PCPXZIAAOZOABB-VSQXVHSFSA-N 1 1 197.322 2.045 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@@H]1C/C=C\CO 258227881 573024686 /nfs/dbraw/zinc/02/46/86/573024686.db2.gz PHIZPQSNWFYQFC-TXNVCOODSA-N 1 1 197.322 2.188 10 0 AEAEMO CC[C@@H](N)C[N@@H+](C)[C@H]1CCCC[C@H]1C 308478392 573024861 /nfs/dbraw/zinc/02/48/61/573024861.db2.gz LWLVAHACTSUELT-UTUOFQBUSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@H](CC)[N@H+]1CC[C@H](N)[C@@H]1C 308477454 573027562 /nfs/dbraw/zinc/02/75/62/573027562.db2.gz FHDKUQDOHBNSSD-SRVKXCTJSA-N 1 1 198.354 2.377 10 0 AEAEMO C[C@H]1CCCC[C@H]1[N@H+](C)CC[C@@H](C)[NH3+] 42607221 573028705 /nfs/dbraw/zinc/02/87/05/573028705.db2.gz GVJPMTMOYUOBSF-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+](CC(C)C)[C@@H]1CCCC1=O 308478483 573028706 /nfs/dbraw/zinc/02/87/06/573028706.db2.gz LMFPSFBIIQIKQZ-LLVKDONJSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@H](C)c1ccc[nH+]c1N 82408330 573029849 /nfs/dbraw/zinc/02/98/49/573029849.db2.gz NAJCSFDBNLLBHQ-ZETCQYMHSA-N 1 1 150.225 2.177 10 0 AEAEMO CCCCC[N@H+]1CCC[NH2+][C@@H](C)CC1 49663745 573029901 /nfs/dbraw/zinc/02/99/01/573029901.db2.gz CZAXFAAZMLTUCE-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CC[N@H+](C)Cc1coc(C2CC2)n1 308230371 573030085 /nfs/dbraw/zinc/03/00/85/573030085.db2.gz ONNKGZCIENMDTG-UHFFFAOYSA-N 1 1 180.251 2.004 10 0 AEAEMO CC[N@@H+](C)Cc1coc(C2CC2)n1 308230371 573030091 /nfs/dbraw/zinc/03/00/91/573030091.db2.gz ONNKGZCIENMDTG-UHFFFAOYSA-N 1 1 180.251 2.004 10 0 AEAEMO CCCCC[N@H+]1CCC[NH2+][C@H](C)CC1 49663743 573030158 /nfs/dbraw/zinc/03/01/58/573030158.db2.gz CZAXFAAZMLTUCE-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CC(=O)[C@@H](C)[N@H+]1CCCC(C)(C)CC1 83680766 573592034 /nfs/dbraw/zinc/59/20/34/573592034.db2.gz PHEGMENWZQXAOF-SNVBAGLBSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[N@H+](Cc1cc[nH]c1)CC(C)C 308249814 573051926 /nfs/dbraw/zinc/05/19/26/573051926.db2.gz AVGHJTYPMSFPAF-UHFFFAOYSA-N 1 1 180.295 2.493 10 0 AEAEMO CSC(=[NH2+])c1ccc2c(c1)CCO2 259137039 573593881 /nfs/dbraw/zinc/59/38/81/573593881.db2.gz JPDYJLMPCSNKBW-UHFFFAOYSA-N 1 1 193.271 2.310 10 0 AEAEMO CC[C@H](CN)[N@H+]1CCCC(C)(C)CC1 83680156 573593896 /nfs/dbraw/zinc/59/38/96/573593896.db2.gz OLRFGUCGTQOARG-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO Cc1ccc2c([nH+]1)N(C(C)C)CCN2 88037005 573051272 /nfs/dbraw/zinc/05/12/72/573051272.db2.gz VMXBGBRTFJLTNM-UHFFFAOYSA-N 1 1 191.278 2.030 10 0 AEAEMO CCC[NH2+][C@H]1CC[N@@H+](C(C)C)[C@H](C)C1 49694204 573051691 /nfs/dbraw/zinc/05/16/91/573051691.db2.gz NOYHVDJLELUFCJ-NEPJUHHUSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@H](C)C[N@@H+](CC)C[C@@H](C)O 308240079 573058323 /nfs/dbraw/zinc/05/83/23/573058323.db2.gz SITATTKPSHEOMJ-WDEREUQCSA-N 1 1 187.327 2.125 10 0 AEAEMO CCC[C@H](C)C[N@@H+](CC)C[C@H](C)O 308240078 573058386 /nfs/dbraw/zinc/05/83/86/573058386.db2.gz SITATTKPSHEOMJ-QWRGUYRKSA-N 1 1 187.327 2.125 10 0 AEAEMO CC[C@H](C(C)C)[N@H+]1CC[C@@H](OC)C1 308250119 573052133 /nfs/dbraw/zinc/05/21/33/573052133.db2.gz APTZZQOXDKOCHR-GHMZBOCLSA-N 1 1 185.311 2.142 10 0 AEAEMO CC[C@H](COC)[N@@H+](C)CCC(C)C 308240342 573057781 /nfs/dbraw/zinc/05/77/81/573057781.db2.gz SLBSUSSFVXTIRL-LLVKDONJSA-N 1 1 187.327 2.389 10 0 AEAEMO CC[C@@](C)(CN)C[NH2+]C1(C)CCCC1 128507410 573058086 /nfs/dbraw/zinc/05/80/86/573058086.db2.gz OFJGZEYHJKFLLG-NSHDSACASA-N 1 1 198.354 2.284 10 0 AEAEMO CCCC[N@@H+](C)C[C@H](O)CC(C)C 308239448 573058133 /nfs/dbraw/zinc/05/81/33/573058133.db2.gz SCVRELUVCDECBX-LLVKDONJSA-N 1 1 187.327 2.125 10 0 AEAEMO CN[C@H]1CCC[N@H+](CC(C)C)C1(C)C 259320387 573058151 /nfs/dbraw/zinc/05/81/51/573058151.db2.gz IGSLRMOATDHUJF-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CN[C@H]1CCC[N@@H+](CC(C)C)C1(C)C 259320387 573058157 /nfs/dbraw/zinc/05/81/57/573058157.db2.gz IGSLRMOATDHUJF-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[N@@H+](CCOC)C1CCC1 308238951 573058164 /nfs/dbraw/zinc/05/81/64/573058164.db2.gz RWAPBKDVMNEVLT-UHFFFAOYSA-N 1 1 185.311 2.287 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](CC)C[C@@H](C)O 308240076 573058267 /nfs/dbraw/zinc/05/82/67/573058267.db2.gz SITATTKPSHEOMJ-GHMZBOCLSA-N 1 1 187.327 2.125 10 0 AEAEMO Cc1cc(OC(C)(C)C)c(CO)c[nH+]1 88110457 573069187 /nfs/dbraw/zinc/06/91/87/573069187.db2.gz SCZNSPXSVOLJHX-UHFFFAOYSA-N 1 1 195.262 2.060 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@H]1CCO[C@H]1C 308245687 573069210 /nfs/dbraw/zinc/06/92/10/573069210.db2.gz VNWIRKUHQATKRB-GXSJLCMTSA-N 1 1 185.311 2.284 10 0 AEAEMO CCC[N@H+]1CC[C@@H](CCO)C(C)(C)C1 259324301 573081146 /nfs/dbraw/zinc/08/11/46/573081146.db2.gz RCFVSWQEMFGYNL-NSHDSACASA-N 1 1 199.338 2.127 10 0 AEAEMO Cc1ccc([C@@H]2[NH2+]C[C@@H](C)S2)nc1 88136313 573081254 /nfs/dbraw/zinc/08/12/54/573081254.db2.gz XPXACLUTRGZYHI-PSASIEDQSA-N 1 1 194.303 2.114 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1CC(C)(C)CO 49812060 573088056 /nfs/dbraw/zinc/08/80/56/573088056.db2.gz LBHFOWGUNZNCTN-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO Cc1[nH]c(C)c(-c2ccccc2O)[nH+]1 257835996 573596894 /nfs/dbraw/zinc/59/68/94/573596894.db2.gz KRZHFHCRZBAFBC-UHFFFAOYSA-N 1 1 188.230 2.399 10 0 AEAEMO C/C=C\C[N@@H+]1CCC[C@](C)(OC)C1 308500693 573089901 /nfs/dbraw/zinc/08/99/01/573089901.db2.gz WNWQPBINXQKRRY-WYGGZMRJSA-N 1 1 183.295 2.063 10 0 AEAEMO Nc1cccc2[nH+]c(CC3CC3)[nH]c12 82539482 573091015 /nfs/dbraw/zinc/09/10/15/573091015.db2.gz YQEMIYOCEGQVAB-UHFFFAOYSA-N 1 1 187.246 2.098 10 0 AEAEMO C[C@@H]1C[C@H]1c1[nH]c2c(N)cccc2[nH+]1 82539414 573091270 /nfs/dbraw/zinc/09/12/70/573091270.db2.gz MHRYBGXWSGFKMQ-RNFRBKRXSA-N 1 1 187.246 2.269 10 0 AEAEMO CCC[C@H]([NH3+])CC[N@@H+](CC)CC1CC1 128646898 573092631 /nfs/dbraw/zinc/09/26/31/573092631.db2.gz KLXWXSDMLUWEQO-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@@H]1CC(C)(C)CC=C1[NH3+] 104647405 573115128 /nfs/dbraw/zinc/11/51/28/573115128.db2.gz UOMNZZUCBXDQLS-SSDOTTSWSA-N 1 1 139.242 2.285 10 0 AEAEMO CCCC[N@@H+](CCNC)[C@@H](C)CC 42609893 573118484 /nfs/dbraw/zinc/11/84/84/573118484.db2.gz AVEANZZBUFBDJU-NSHDSACASA-N 1 1 186.343 2.106 10 0 AEAEMO CCCC(=O)CCc1c[nH+]c(C)n1C 308502249 573121594 /nfs/dbraw/zinc/12/15/94/573121594.db2.gz XAWIQIKTDTZGGR-UHFFFAOYSA-N 1 1 194.278 2.030 10 0 AEAEMO CCCC[C@@H](N)C[NH2+]CC(C)(C)C 40495003 573121608 /nfs/dbraw/zinc/12/16/08/573121608.db2.gz XVWKHCBCRCGYAG-SNVBAGLBSA-N 1 1 186.343 2.140 10 0 AEAEMO CC[C@]1(CNC2CCCC2)CCC[NH2+]1 215396728 573597958 /nfs/dbraw/zinc/59/79/58/573597958.db2.gz UMVVXNKGBAMQOD-GFCCVEGCSA-N 1 1 196.338 2.051 10 0 AEAEMO CN(C)C(C)(C)[C@@H]([NH3+])c1ccsc1 85736251 573128992 /nfs/dbraw/zinc/12/89/92/573128992.db2.gz BVOAEVKZUDMJIB-VIFPVBQESA-N 1 1 198.335 2.088 10 0 AEAEMO CC(C)(C)[C@H](N)C(C)(C)[NH+]1CCCC1 85740377 573134950 /nfs/dbraw/zinc/13/49/50/573134950.db2.gz NMXBIRNESVMXOT-JTQLQIEISA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@@H]([NH3+])[C@](C)(CC)N(C)C 85744935 573137658 /nfs/dbraw/zinc/13/76/58/573137658.db2.gz WPDSOOFKYPPALU-MNOVXSKESA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCC[C@H](C(C)=O)C1 82644681 573137780 /nfs/dbraw/zinc/13/77/80/573137780.db2.gz NWMGRQDJWMFTKP-KOLCDFICSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[NH2+][C@H](C)[C@](C)(CC)N1CCCC1 85749221 573137865 /nfs/dbraw/zinc/13/78/65/573137865.db2.gz YJYHDVKZEYYNOX-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO C[NH2+][C@H](C)c1c[nH]c(CCC(C)C)n1 308507957 573146993 /nfs/dbraw/zinc/14/69/93/573146993.db2.gz ARARMTHYJGCIKZ-SECBINFHSA-N 1 1 195.310 2.279 10 0 AEAEMO CCCCC(F)(F)[C@@H](C)[NH2+]C 258560190 573161539 /nfs/dbraw/zinc/16/15/39/573161539.db2.gz QLYVEHKNDLWIJN-SSDOTTSWSA-N 1 1 165.227 2.420 10 0 AEAEMO COCC[N@@H+](C)[C@H](C)CCC(C)C 308284823 573161896 /nfs/dbraw/zinc/16/18/96/573161896.db2.gz BHTQDYOOULRWSX-LLVKDONJSA-N 1 1 187.327 2.389 10 0 AEAEMO C[N@H+]1CCCC[C@H]1CC1(O)CCCC1 257960755 573183277 /nfs/dbraw/zinc/18/32/77/573183277.db2.gz JHNXOFFXLWWUAJ-NSHDSACASA-N 1 1 197.322 2.166 10 0 AEAEMO CN[C@@H]1CCC[N@@H+](C2(C)CCCC2)C1 82785729 573195378 /nfs/dbraw/zinc/19/53/78/573195378.db2.gz IKMHXDQZAOPTIX-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CN[C@@H]1CCC[N@H+](C2(C)CCCC2)C1 82785729 573195382 /nfs/dbraw/zinc/19/53/82/573195382.db2.gz IKMHXDQZAOPTIX-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CN[C@H]1CCC[N@@H+](C2(C)CCCC2)C1 82785728 573195697 /nfs/dbraw/zinc/19/56/97/573195697.db2.gz IKMHXDQZAOPTIX-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CN[C@H]1CCC[N@H+](C2(C)CCCC2)C1 82785728 573195703 /nfs/dbraw/zinc/19/57/03/573195703.db2.gz IKMHXDQZAOPTIX-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@H]1CC(=O)CC[N@H+]1C1(C)CCCC1 82785580 573195882 /nfs/dbraw/zinc/19/58/82/573195882.db2.gz QUOKIRFLRVTFRK-JTQLQIEISA-N 1 1 195.306 2.373 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H]1C1(O)CCCC1 257970908 573212093 /nfs/dbraw/zinc/21/20/93/573212093.db2.gz KAZISEVZYBDIDH-LLVKDONJSA-N 1 1 197.322 2.164 10 0 AEAEMO CCC[NH2+]C[C@H](N)CC1CCCCC1 308520798 573215177 /nfs/dbraw/zinc/21/51/77/573215177.db2.gz HOAUFOXVYXHFKY-GFCCVEGCSA-N 1 1 198.354 2.284 10 0 AEAEMO COCCc1nc2cccc(C)c2[nH]1 82821726 573215378 /nfs/dbraw/zinc/21/53/78/573215378.db2.gz WWMUJDKBBSNVOE-UHFFFAOYSA-N 1 1 190.246 2.060 10 0 AEAEMO CCCCCCN1C[C@H]([NH3+])CC[C@@H]1C 40740140 573215386 /nfs/dbraw/zinc/21/53/86/573215386.db2.gz PHKXPPFHLWMQTQ-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCC[N@@H+]1C[C@H](N)CC[C@@H]1C 40740140 573215393 /nfs/dbraw/zinc/21/53/93/573215393.db2.gz PHKXPPFHLWMQTQ-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCC[N@H+]1C[C@H](N)CC[C@@H]1C 40740140 573215398 /nfs/dbraw/zinc/21/53/98/573215398.db2.gz PHKXPPFHLWMQTQ-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO C[N@@H+](CC1(CO)CCC1)C1CCCC1 259036726 573215444 /nfs/dbraw/zinc/21/54/44/573215444.db2.gz QXATZVREHGSXIX-UHFFFAOYSA-N 1 1 197.322 2.023 10 0 AEAEMO CCOCC[N@@H+](C)[C@H](C)CC1CC1 308317071 573217499 /nfs/dbraw/zinc/21/74/99/573217499.db2.gz XSDFCKRQLFKCOO-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO CCc1cc(Cl)c2[nH+]cc(N)n2c1 238308377 573217045 /nfs/dbraw/zinc/21/70/45/573217045.db2.gz CJWOGLODDDNHJA-UHFFFAOYSA-N 1 1 195.653 2.132 10 0 AEAEMO CCOC[C@H](C)[N@H+]1CC[C@H](CC)C1 308318870 573222469 /nfs/dbraw/zinc/22/24/69/573222469.db2.gz YXVJPFCRRXWDOU-QWRGUYRKSA-N 1 1 185.311 2.143 10 0 AEAEMO CCOC[C@@H](C)[N@H+]1CCC(C)(C)C1 308318962 573222628 /nfs/dbraw/zinc/22/26/28/573222628.db2.gz ZCOHCKDYUKZWEI-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC(C)(C)C[N@@H+](C)[C@@H](C)COC 308317787 573222750 /nfs/dbraw/zinc/22/27/50/573222750.db2.gz WRPQMLJUBRROFQ-JTQLQIEISA-N 1 1 187.327 2.389 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCC[C@H](O)C1(C)C 259381702 573222822 /nfs/dbraw/zinc/22/28/22/573222822.db2.gz LHGNXNPRBIZCEP-ZJUUUORDSA-N 1 1 185.311 2.020 10 0 AEAEMO CCc1cc(C)cc2[nH]c(N)[nH+]c12 238320592 573223189 /nfs/dbraw/zinc/22/31/89/573223189.db2.gz JKERPFGZDXLUJQ-UHFFFAOYSA-N 1 1 175.235 2.016 10 0 AEAEMO C[C@@H](CC[NH3+])[N@@H+](C)CC1(C)CCCC1 308645912 573600491 /nfs/dbraw/zinc/60/04/91/573600491.db2.gz HIDNGSSJBBMKLV-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)[N@@H+](CCCO)CC1CCCC1 50106089 573228540 /nfs/dbraw/zinc/22/85/40/573228540.db2.gz RSBUGUKNAYBWMM-UHFFFAOYSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H]1CCC[C@H]([N@@H+]2CCC(=O)C2)C1 82847749 573228634 /nfs/dbraw/zinc/22/86/34/573228634.db2.gz XZNUZQNOTVJKJG-QWRGUYRKSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@H]1CCC[C@H]([N@H+]2CCC(=O)C2)C1 82847749 573228640 /nfs/dbraw/zinc/22/86/40/573228640.db2.gz XZNUZQNOTVJKJG-QWRGUYRKSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC(CC)C[N@@H+](C)[C@@H](C)CC[NH3+] 129105911 573228653 /nfs/dbraw/zinc/22/86/53/573228653.db2.gz GNEPCRABBWVULQ-JTQLQIEISA-N 1 1 186.343 2.092 10 0 AEAEMO CCC(CC)[N@H+](CCO)[C@@H](C)CC 50107110 573228843 /nfs/dbraw/zinc/22/88/43/573228843.db2.gz OBBHMQVTTIEMQQ-JTQLQIEISA-N 1 1 187.327 2.268 10 0 AEAEMO CC(C)CCC[N@@H+](C)[C@H]1CCC[C@H]1N 259042426 573236928 /nfs/dbraw/zinc/23/69/28/573236928.db2.gz PJKZQOIILKKSHR-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCCN(C)[C@H]1CCC[C@H]1[NH3+] 259042426 573236936 /nfs/dbraw/zinc/23/69/36/573236936.db2.gz PJKZQOIILKKSHR-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]1CC(=O)CC[N@H+]1C[C@@H]1CC1(C)C 235552603 573236946 /nfs/dbraw/zinc/23/69/46/573236946.db2.gz HFWSDIHECAQRMF-UWVGGRQHSA-N 1 1 195.306 2.086 10 0 AEAEMO CC1(C)CC[N@H+](C(C)(C)C)C[C@@H]1CO 259389687 573236206 /nfs/dbraw/zinc/23/62/06/573236206.db2.gz WSKGQPKSFJVLFH-SNVBAGLBSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)CCC1([NH+](C)C)CCNCC1 258604109 573236407 /nfs/dbraw/zinc/23/64/07/573236407.db2.gz NNECTXCFVFAKPS-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)C[N@H+](C)CC1(NC)CCC1 308528070 573236683 /nfs/dbraw/zinc/23/66/83/573236683.db2.gz PUPIDVPLFPRGTH-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)CC1(NC)CCC1 308528070 573236686 /nfs/dbraw/zinc/23/66/86/573236686.db2.gz PUPIDVPLFPRGTH-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)CC[N@H+]1CC[C@H](CO)C1(C)C 259386807 573236752 /nfs/dbraw/zinc/23/67/52/573236752.db2.gz LNFLRWFKXFCBSZ-LLVKDONJSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@](C)(CN)[N@@H+](C)CC1CCCC1 50091271 573236783 /nfs/dbraw/zinc/23/67/83/573236783.db2.gz VZYDNINVJFQDQV-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)[N@@H+](C)Cc1ccc(F)cc1N 82864486 573244694 /nfs/dbraw/zinc/24/46/94/573244694.db2.gz UXOJDNBYUTWHBF-UHFFFAOYSA-N 1 1 196.269 2.248 10 0 AEAEMO CC(C)[N@@H+](C)Cc1ccc(N)cc1F 82864726 573244202 /nfs/dbraw/zinc/24/42/02/573244202.db2.gz DURGUQDBXLSRCX-UHFFFAOYSA-N 1 1 196.269 2.248 10 0 AEAEMO CCC(C)(C)C[N@@H+](CCO)C(C)C 308320728 573244226 /nfs/dbraw/zinc/24/42/26/573244226.db2.gz YMCNDGRIQCLNAA-UHFFFAOYSA-N 1 1 187.327 2.125 10 0 AEAEMO CC[NH+](CC)CC[C@@H](C=C(C)C)NC 86059091 573244432 /nfs/dbraw/zinc/24/44/32/573244432.db2.gz BBBZRLPVQAYRPL-LBPRGKRZSA-N 1 1 198.354 2.273 10 0 AEAEMO CCN(C)c1ccc2c(c1)[nH+]cn2C 259050493 573250737 /nfs/dbraw/zinc/25/07/37/573250737.db2.gz JZGSCADNFRKYJH-UHFFFAOYSA-N 1 1 189.262 2.029 10 0 AEAEMO CCC(C)(C)[N@@H+](C)Cc1ncc[nH]1 308323065 573250483 /nfs/dbraw/zinc/25/04/83/573250483.db2.gz ZXNXCCMZJABRKK-UHFFFAOYSA-N 1 1 181.283 2.030 10 0 AEAEMO COCC[C@@H](C)n1c[nH+]c(C)c1C 123906606 573250502 /nfs/dbraw/zinc/25/05/02/573250502.db2.gz KRRPVSLSSKQRBR-MRVPVSSYSA-N 1 1 182.267 2.097 10 0 AEAEMO CC1(C)C[NH2+][C@@](C)(c2ccco2)OC1 258260420 573258356 /nfs/dbraw/zinc/25/83/56/573258356.db2.gz AVQXKEIINMKNFY-LLVKDONJSA-N 1 1 195.262 2.098 10 0 AEAEMO CC1(C)[C@@H](N)CCC[N@H+]1C1CCCC1 259397432 573259260 /nfs/dbraw/zinc/25/92/60/573259260.db2.gz MCNVKHREFGNITQ-NSHDSACASA-N 1 1 196.338 2.131 10 0 AEAEMO C[C@H]([NH2+][C@@H]1C[C@H]1[C@H]1C[C@H]1C)C(F)F 716654184 573258848 /nfs/dbraw/zinc/25/88/48/573258848.db2.gz XROMPZUDXMKUOB-ZTKNNBQKSA-N 1 1 189.249 2.274 10 0 AEAEMO CCCCCN1C[C@H]([NH2+]C)CC1(C)C 259397298 573258999 /nfs/dbraw/zinc/25/89/99/573258999.db2.gz MBKNDZTUQABTIS-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC1(C)C[NH2+][C@](C)(c2ccco2)OC1 258260432 573259036 /nfs/dbraw/zinc/25/90/36/573259036.db2.gz AVQXKEIINMKNFY-NSHDSACASA-N 1 1 195.262 2.098 10 0 AEAEMO CCCC(=O)C[N@@H+](C)[C@@H](C)C(C)C 50184148 573263075 /nfs/dbraw/zinc/26/30/75/573263075.db2.gz YOFFQUAPGBYKJR-JTQLQIEISA-N 1 1 185.311 2.332 10 0 AEAEMO CCC[C@H](CNC)[N@@H+]1CCC(C)(C)C1 213145170 573277658 /nfs/dbraw/zinc/27/76/58/573277658.db2.gz SMOINAKBPZWJQG-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](CNC)[N@H+]1CCC(C)(C)C1 213145170 573277664 /nfs/dbraw/zinc/27/76/64/573277664.db2.gz SMOINAKBPZWJQG-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](O)C[N@@H+](CC1CC1)C(C)C 50193534 573290169 /nfs/dbraw/zinc/29/01/69/573290169.db2.gz XSIVYMVUKVKOJT-GFCCVEGCSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](C)NCC[NH2+][C@@H]1CC[C@H](C)C1 129444212 573289983 /nfs/dbraw/zinc/28/99/83/573289983.db2.gz LPRKBEHIHXDJIU-SDDRHHMPSA-N 1 1 198.354 2.153 10 0 AEAEMO CC[C@H](C)[NH2+]CCN[C@@H]1CC[C@H](C)C1 129444212 573289990 /nfs/dbraw/zinc/28/99/90/573289990.db2.gz LPRKBEHIHXDJIU-SDDRHHMPSA-N 1 1 198.354 2.153 10 0 AEAEMO CCC[C@](C)(N)C[NH2+][C@@H]1CCC1(C)C 308541453 573290054 /nfs/dbraw/zinc/29/00/54/573290054.db2.gz OCHGZFDKAGNYCX-PWSUYJOCSA-N 1 1 198.354 2.282 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CCN[C@@](C)(CC)C1 82926000 573290128 /nfs/dbraw/zinc/29/01/28/573290128.db2.gz VBIUYUYSUVYJRG-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](C)CN1CC[NH2+][C@@](C)(CC)C1 82926000 573290131 /nfs/dbraw/zinc/29/01/31/573290131.db2.gz VBIUYUYSUVYJRG-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO C[C@H]1CC[NH2+]C2(CCCCC2)C[N@H+]1C 82942726 573312217 /nfs/dbraw/zinc/31/22/17/573312217.db2.gz LFXJYFIFPSOBRC-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@@H](C)C[C@@](CC)(CN)[NH+]1CCC1 308547272 573312387 /nfs/dbraw/zinc/31/23/87/573312387.db2.gz QDIPYGAJLYLXMH-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)[C@H]1C[N@@H+](C(C)C)[C@@H](C)CCN1 82942270 573311884 /nfs/dbraw/zinc/31/18/84/573311884.db2.gz BKMWEIXUSWBKCI-NWDGAFQWSA-N 1 1 198.354 2.103 10 0 AEAEMO C[C@@H]1CNCC[N@H+]1C(C)(C)C(C)(C)C 106876270 573322633 /nfs/dbraw/zinc/32/26/33/573322633.db2.gz FQWKAFVCJNMRHL-SNVBAGLBSA-N 1 1 198.354 2.105 10 0 AEAEMO CN1CC[C@@H]([NH2+]C(C)(C)C)CC1(C)C 106876329 573322780 /nfs/dbraw/zinc/32/27/80/573322780.db2.gz KWOMVCBAPLKOFV-SNVBAGLBSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@](C)([C@H](C)N)[N@@H+](C)CC1CCC1 308553623 573323075 /nfs/dbraw/zinc/32/30/75/573323075.db2.gz RDEGJIGTTDNNBB-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(C)(C)[C@H](N)C[N@H+]1CCC[C@@H]1C 393662021 573333566 /nfs/dbraw/zinc/33/35/66/573333566.db2.gz WQCVGVGWOAYQNG-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC1(C)C[C@H](O)C[N@H+]1CC1CCCC1 258630712 573333932 /nfs/dbraw/zinc/33/39/32/573333932.db2.gz CEAQSRVIEUIOPL-NSHDSACASA-N 1 1 197.322 2.022 10 0 AEAEMO OCCCC[N@H+]1CC[C@H]2CCCC[C@@H]21 132787882 573337169 /nfs/dbraw/zinc/33/71/69/573337169.db2.gz SSQSNOONOILANK-NEPJUHHUSA-N 1 1 197.322 2.023 10 0 AEAEMO CN[C@H](C[NH3+])c1ccc(C(C)C)cc1 50269858 573336678 /nfs/dbraw/zinc/33/66/78/573336678.db2.gz KCIUZPCKPXDTOE-GFCCVEGCSA-N 1 1 192.306 2.029 10 0 AEAEMO CC[N@@H+](C)CCc1cccc(F)c1 259089433 573336793 /nfs/dbraw/zinc/33/67/93/573336793.db2.gz NLKWFHDLJBXUMR-UHFFFAOYSA-N 1 1 181.254 2.320 10 0 AEAEMO CC(C)C[C@H](C)NC[C@]1(C)CCC[NH2+]1 308559706 573336801 /nfs/dbraw/zinc/33/68/01/573336801.db2.gz WMXODLABPYWSRI-RYUDHWBXSA-N 1 1 198.354 2.153 10 0 AEAEMO CC[C@H](C)[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1 82960782 573336926 /nfs/dbraw/zinc/33/69/26/573336926.db2.gz HJZOBXBCOKWKHA-DCAQKATOSA-N 1 1 198.354 2.009 10 0 AEAEMO C[C@@H]1C(=O)CC[N@@H+](C2CCCC2)[C@@H]1C 86303239 573356623 /nfs/dbraw/zinc/35/66/23/573356623.db2.gz URTSOHAZUCANGH-VHSXEESVSA-N 1 1 195.306 2.228 10 0 AEAEMO C[C@H]1[C@H](C)[C@@H]([NH3+])CC[N@@H+]1CC(C)(C)C 86304148 573356641 /nfs/dbraw/zinc/35/66/41/573356641.db2.gz HTVZUMDSRPNFCZ-DCAQKATOSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CCC(=O)[C@H](C)[C@H]1C 86303440 573356793 /nfs/dbraw/zinc/35/67/93/573356793.db2.gz URHHPKLMERDNET-OUAUKWLOSA-N 1 1 197.322 2.330 10 0 AEAEMO C[C@@H]1C(=O)CC[N@@H+](CC(C)(C)C)[C@@H]1C 86304136 573356205 /nfs/dbraw/zinc/35/62/05/573356205.db2.gz QLVQFSNNQMTCJV-VHSXEESVSA-N 1 1 197.322 2.332 10 0 AEAEMO CCC(C)(C)[N@H+]1CCC(=O)[C@H](C)[C@@H]1C 86303293 573356481 /nfs/dbraw/zinc/35/64/81/573356481.db2.gz ANLVLDNARWDPGY-ZJUUUORDSA-N 1 1 197.322 2.474 10 0 AEAEMO C[C@@H]1C(=O)CC[N@@H+]([C@@H]2CC2(C)C)[C@@H]1C 86304501 573361334 /nfs/dbraw/zinc/36/13/34/573361334.db2.gz LFCVOIZTONTCDP-IQJOONFLSA-N 1 1 195.306 2.084 10 0 AEAEMO CCCC(CCC)c1nnc(C[NH3+])o1 133009596 573361424 /nfs/dbraw/zinc/36/14/24/573361424.db2.gz LVHJUNLQIVOEJI-UHFFFAOYSA-N 1 1 197.282 2.212 10 0 AEAEMO CCC[N@@H+](C[C@H](C)O)C1CCCC1 308364264 573360829 /nfs/dbraw/zinc/36/08/29/573360829.db2.gz NINPWXZONDKNGR-JTQLQIEISA-N 1 1 185.311 2.022 10 0 AEAEMO C[C@@H]1C(=O)CC[N@@H+]([C@@H]2CC2(C)C)[C@H]1C 86304497 573361156 /nfs/dbraw/zinc/36/11/56/573361156.db2.gz LFCVOIZTONTCDP-ATZCPNFKSA-N 1 1 195.306 2.084 10 0 AEAEMO C[C@H]1[C@@H](C)C(=O)CC[N@H+]1CCC1CC1 86305498 573361275 /nfs/dbraw/zinc/36/12/75/573361275.db2.gz KIGCIIZADVXGJZ-ZJUUUORDSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@@H](C[NH3+])[C@H](C)[N@H+]1C[C@H](C)CC[C@@H]1C 86312782 573363350 /nfs/dbraw/zinc/36/33/50/573363350.db2.gz XKLMYPMAHOMSLQ-RHYQMDGZSA-N 1 1 198.354 2.090 10 0 AEAEMO CCCC[N@@H+](CC)C1CCOCC1 308368997 573363387 /nfs/dbraw/zinc/36/33/87/573363387.db2.gz PMMHCTBPJBBPHJ-UHFFFAOYSA-N 1 1 185.311 2.287 10 0 AEAEMO CC[C@H](F)C[N@@H+](CC)C[C@@H](C)OC 308367736 573363521 /nfs/dbraw/zinc/36/35/21/573363521.db2.gz OVXUYPWTJQOGRA-ZJUUUORDSA-N 1 1 191.290 2.091 10 0 AEAEMO c1ccc([C@]23CCC[N@H+]2CC3)cc1 258007823 573363627 /nfs/dbraw/zinc/36/36/27/573363627.db2.gz MMARKVAWVUHRFT-GFCCVEGCSA-N 1 1 173.259 2.381 10 0 AEAEMO C[C@@H](C[NH3+])[C@H](C)[N@H+]1CCC[C@@H](C)CC1 86312558 573363677 /nfs/dbraw/zinc/36/36/77/573363677.db2.gz QGHGSPHOJJYIFN-WOPDTQHZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](F)C[N@@H+](CC)C[C@H](C)OC 308367733 573363681 /nfs/dbraw/zinc/36/36/81/573363681.db2.gz OVXUYPWTJQOGRA-VHSXEESVSA-N 1 1 191.290 2.091 10 0 AEAEMO CC[C@@H](F)C[N@@H+](CC)[C@H](C)COC 308374009 573369523 /nfs/dbraw/zinc/36/95/23/573369523.db2.gz RIVVDTUEDXYKDA-NXEZZACHSA-N 1 1 191.290 2.091 10 0 AEAEMO CCC[C@H]1C[N@H+](C2CCCC2)CCN1 83059798 573381299 /nfs/dbraw/zinc/38/12/99/573381299.db2.gz ROFSZYZFRDVVER-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CCC[C@H]1CN(C2CCCC2)CC[NH2+]1 83059798 573381302 /nfs/dbraw/zinc/38/13/02/573381302.db2.gz ROFSZYZFRDVVER-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@H]1C[C@](O)(CC(C)(C)C)CC[N@H+]1C 107142728 573380719 /nfs/dbraw/zinc/38/07/19/573380719.db2.gz PRCCULMORSGIBV-JQWIXIFHSA-N 1 1 199.338 2.268 10 0 AEAEMO CCNC(C)(C)C[NH2+]C[C@H](C)C1CC1 133154880 573380734 /nfs/dbraw/zinc/38/07/34/573380734.db2.gz PWHJMHSIQWRJOO-JTQLQIEISA-N 1 1 198.354 2.010 10 0 AEAEMO CCC(C)(C)[N@H+]1CCN[C@@](C)(CC)C1 83059858 573380770 /nfs/dbraw/zinc/38/07/70/573380770.db2.gz FLNIODLIPOFBIZ-LBPRGKRZSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)(C)[N@H+]1CCNC2(CCCC2)C1 83059334 573380802 /nfs/dbraw/zinc/38/08/02/573380802.db2.gz ZPAYGCOYUAOEJE-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@](C)(C(C)=O)[N@@H+](C)C[C@@H]1C[C@H]1C 308566354 573380803 /nfs/dbraw/zinc/38/08/03/573380803.db2.gz YMBAXEBUBJKLEA-ADEWGFFLSA-N 1 1 197.322 2.332 10 0 AEAEMO CC(C)(C)N1CC[NH2+]C2(CCCC2)C1 83059334 573380807 /nfs/dbraw/zinc/38/08/07/573380807.db2.gz ZPAYGCOYUAOEJE-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO CC(C)C[C@@H]1C[N@H+](C(C)(C)C)CCN1 83059373 573380827 /nfs/dbraw/zinc/38/08/27/573380827.db2.gz DLYOMTPCVXIZKM-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[C@@H]1CN(C(C)(C)C)CC[NH2+]1 83059373 573380833 /nfs/dbraw/zinc/38/08/33/573380833.db2.gz DLYOMTPCVXIZKM-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@H]1C[C@@](O)(CC(C)(C)C)CC[N@H+]1C 107142736 573380869 /nfs/dbraw/zinc/38/08/69/573380869.db2.gz PRCCULMORSGIBV-CMPLNLGQSA-N 1 1 199.338 2.268 10 0 AEAEMO C/C=C\CC[N@@H+]1C[C@H](CC)NC[C@H]1C 308370445 573381024 /nfs/dbraw/zinc/38/10/24/573381024.db2.gz BVZRBWSPLLZING-GJJFQZOLSA-N 1 1 196.338 2.025 10 0 AEAEMO C/C=C\CCN1C[C@H](CC)[NH2+]C[C@H]1C 308370445 573381029 /nfs/dbraw/zinc/38/10/29/573381029.db2.gz BVZRBWSPLLZING-GJJFQZOLSA-N 1 1 196.338 2.025 10 0 AEAEMO C[C@@H]1C[C@@](O)(CC(C)(C)C)CC[N@H+]1C 107142732 573381135 /nfs/dbraw/zinc/38/11/35/573381135.db2.gz PRCCULMORSGIBV-ZYHUDNBSSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@@H+](CC1(C)CCC1)C(C)(C)CN 308567177 573381236 /nfs/dbraw/zinc/38/12/36/573381236.db2.gz IIIIYSPQWAXJIG-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H](C)[C@@H]1C[N@H+](C(C)(C)C)CCN1 83059337 573382522 /nfs/dbraw/zinc/38/25/22/573382522.db2.gz DUEPGLGXJIDEMT-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@@H]1CN(C(C)(C)C)CC[NH2+]1 83059337 573382530 /nfs/dbraw/zinc/38/25/30/573382530.db2.gz DUEPGLGXJIDEMT-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO C/C=C(/C)C[NH2+]CC(C)(C)CN(C)C 308567014 573381705 /nfs/dbraw/zinc/38/17/05/573381705.db2.gz BAGKAAGLJRGQGP-XFFZJAGNSA-N 1 1 198.354 2.130 10 0 AEAEMO CC[C@](C)(C(C)=O)[N@@H+](C)C[C@@H]1C[C@@H]1C 308566358 573382586 /nfs/dbraw/zinc/38/25/86/573382586.db2.gz YMBAXEBUBJKLEA-ZMLRMANQSA-N 1 1 197.322 2.332 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCN[C@H](C(C)(C)C)C1 83059634 573382001 /nfs/dbraw/zinc/38/20/01/573382001.db2.gz WMFKYHMZUFIDMU-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)N1CC[NH2+][C@H](C(C)(C)C)C1 83059634 573382015 /nfs/dbraw/zinc/38/20/15/573382015.db2.gz WMFKYHMZUFIDMU-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@@H+](CC1CC1)[C@](C)(CC)[C@@H](C)N 308566440 573382029 /nfs/dbraw/zinc/38/20/29/573382029.db2.gz YQCYXDQWDFJXCX-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO C/C=C\CC[N@@H+]1C[C@H](CC)NC[C@@H]1C 308370447 573382131 /nfs/dbraw/zinc/38/21/31/573382131.db2.gz BVZRBWSPLLZING-XSCYXQHBSA-N 1 1 196.338 2.025 10 0 AEAEMO C/C=C\CCN1C[C@H](CC)[NH2+]C[C@@H]1C 308370447 573382134 /nfs/dbraw/zinc/38/21/34/573382134.db2.gz BVZRBWSPLLZING-XSCYXQHBSA-N 1 1 196.338 2.025 10 0 AEAEMO CCC(CC)[N@H+]1CCN[C@](C)(CC)C1 83059825 573382365 /nfs/dbraw/zinc/38/23/65/573382365.db2.gz IBUYVFAYXAKTMX-GFCCVEGCSA-N 1 1 198.354 2.249 10 0 AEAEMO CNc1cccc2c1C[N@H+](C1CC1)C2 259434524 573382440 /nfs/dbraw/zinc/38/24/40/573382440.db2.gz USNXICQUUGHNHS-UHFFFAOYSA-N 1 1 188.274 2.206 10 0 AEAEMO CCCC[C@H](N)C[NH2+]C[C@H](C)C1CC1 133214298 573383697 /nfs/dbraw/zinc/38/36/97/573383697.db2.gz BMSZAVOJFHMTPF-JQWIXIFHSA-N 1 1 198.354 2.140 10 0 AEAEMO CC[C@@]1(C)C[N@H+]([C@@H](C)C(C)C)CCN1 83060218 573383754 /nfs/dbraw/zinc/38/37/54/573383754.db2.gz HIILXFBSUZWBFJ-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC1(CC)C[N@H+](C(C)(C)C)CCN1 83059368 573383141 /nfs/dbraw/zinc/38/31/41/573383141.db2.gz PAUSRGVLBWTEBE-UHFFFAOYSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC1(CC)CN(C(C)(C)C)CC[NH2+]1 83059368 573383144 /nfs/dbraw/zinc/38/31/44/573383144.db2.gz PAUSRGVLBWTEBE-UHFFFAOYSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@@H](N)C[NH2+]C[C@@H](C)C1CC1 133214109 573383169 /nfs/dbraw/zinc/38/31/69/573383169.db2.gz BMSZAVOJFHMTPF-ZYHUDNBSSA-N 1 1 198.354 2.140 10 0 AEAEMO CCC(C)(C)[N@H+]1CCN[C@](C)(CC)C1 83059856 573383443 /nfs/dbraw/zinc/38/34/43/573383443.db2.gz FLNIODLIPOFBIZ-GFCCVEGCSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)C[C@@H](C)[N@H+]1CCNC(C)(C)C1 83060423 573383511 /nfs/dbraw/zinc/38/35/11/573383511.db2.gz QNMRKMJVLBETEB-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[C@](C)(CN)[N@@H+](C)CC1CC1 308567639 573383580 /nfs/dbraw/zinc/38/35/80/573383580.db2.gz ZGBNNEKAIGSVNO-PWSUYJOCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H]1CN[C@H](C)C[N@H+]1C(C)(C)CC 83085204 573390607 /nfs/dbraw/zinc/39/06/07/573390607.db2.gz ITMUINYIDJDNQD-MNOVXSKESA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@H+]1CCNC(C)(C)C1 83061977 573390661 /nfs/dbraw/zinc/39/06/61/573390661.db2.gz FBLXDJMNWXILKJ-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1C[NH2+][C@H](C)CN1CC(C)(C)C 83085616 573390013 /nfs/dbraw/zinc/39/00/13/573390013.db2.gz DAICRZQOMGWASV-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[C@@H]1CN[C@H](C)C[N@H+]1C(C)(C)C 83085018 573390268 /nfs/dbraw/zinc/39/02/68/573390268.db2.gz JGJATLYVGWDUJU-MNOVXSKESA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1C[C@@H](C)NC[C@H]1C 83085345 573390510 /nfs/dbraw/zinc/39/05/10/573390510.db2.gz QKAMIOBAHIYJLC-GRYCIOLGSA-N 1 1 198.354 2.103 10 0 AEAEMO CCC[C@@](C)(N)C[NH2+]C[C@@H](C)C1CC1 133254126 573392238 /nfs/dbraw/zinc/39/22/38/573392238.db2.gz OEXPSPVCCLXANM-ZYHUDNBSSA-N 1 1 198.354 2.140 10 0 AEAEMO CCCC[N@@H+](C)[C@]1(CN)C[C@H](C)[C@@H]1C 308570838 573392545 /nfs/dbraw/zinc/39/25/45/573392545.db2.gz KFTXOJMWGAEKAH-SRVKXCTJSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@H+]1CCCN[C@H](C)C1 83092549 573392675 /nfs/dbraw/zinc/39/26/75/573392675.db2.gz XWUOCMOGQIILIX-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@@]1(O)CCC[N@@H+](CC)CC1 86388347 573392770 /nfs/dbraw/zinc/39/27/70/573392770.db2.gz RFROGFQWZSDRNC-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@H]1C[N@H+](C(C)(C)CC)[C@H](C)CN1 83088660 573397846 /nfs/dbraw/zinc/39/78/46/573397846.db2.gz KDFCMUNULWBXJD-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(CC)[N@H+]1CCCNC(C)(C)C1 83091582 573397893 /nfs/dbraw/zinc/39/78/93/573397893.db2.gz UGJXUACWRLWAFH-UHFFFAOYSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(C)(C)[N@H+]1CC(C)(C)NC[C@H]1C 83088723 573397434 /nfs/dbraw/zinc/39/74/34/573397434.db2.gz ZFKKEUUNHJKTOY-SNVBAGLBSA-N 1 1 198.354 2.247 10 0 AEAEMO C[N@H+]1CCC[C@H](C2CCC(=O)CC2)C1 259436568 573397437 /nfs/dbraw/zinc/39/74/37/573397437.db2.gz ZNCLDWWBZROEHW-NSHDSACASA-N 1 1 195.306 2.088 10 0 AEAEMO CC[C@H]1CNC(C)(C)C[N@H+]1C1CCC1 83090202 573397448 /nfs/dbraw/zinc/39/74/48/573397448.db2.gz MMNRAFUQDOURJS-JTQLQIEISA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@]1(C)C[N@@H+](C2CCC2)[C@H](C)CN1 83090207 573397462 /nfs/dbraw/zinc/39/74/62/573397462.db2.gz SBFQLAXKLUQJEI-ZYHUDNBSSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[N@@H+](C[C@@H](C)C[NH3+])CC1(C)CCC1 308572351 573397465 /nfs/dbraw/zinc/39/74/65/573397465.db2.gz LANHAEYNFCAENW-NSHDSACASA-N 1 1 198.354 2.093 10 0 AEAEMO CC[C@]1(C)CN(C2CCC2)[C@H](C)C[NH2+]1 83090207 573397469 /nfs/dbraw/zinc/39/74/69/573397469.db2.gz SBFQLAXKLUQJEI-ZYHUDNBSSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H](C)[C@@H](C)[N@H+]1CCCN[C@H](C)C1 83092546 573397575 /nfs/dbraw/zinc/39/75/75/573397575.db2.gz XWUOCMOGQIILIX-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1C[N@H+](C(C)(C)CC)[C@H](C)CN1 83088662 573397663 /nfs/dbraw/zinc/39/76/63/573397663.db2.gz KDFCMUNULWBXJD-MNOVXSKESA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(CC)C[N@H+]1CC[C@H](N)C1(C)C 308577339 573408997 /nfs/dbraw/zinc/40/89/97/573408997.db2.gz NIBJWUSNBZVQHF-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CC/C=C/CC[N@@H+](C)[C@H](C)COC 308386021 573409191 /nfs/dbraw/zinc/40/91/91/573409191.db2.gz XBZUMXZYJNTOJR-XUIVZRPNSA-N 1 1 185.311 2.309 10 0 AEAEMO Cc1cc(N)c[nH+]c1Nc1ccc[nH]1 258645491 573409375 /nfs/dbraw/zinc/40/93/75/573409375.db2.gz AOSHDORTIQNPTR-UHFFFAOYSA-N 1 1 188.234 2.044 10 0 AEAEMO CC[C@H](C)[N@@H+](CCN)CC1(C)CCC1 308578172 573410573 /nfs/dbraw/zinc/41/05/73/573410573.db2.gz NQDWUOFKKPPYEI-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CCNC(C)(C)C[NH2+][C@@H]1CCC1(C)C 308579841 573418031 /nfs/dbraw/zinc/41/80/31/573418031.db2.gz GECKKRMBMOXJGV-SNVBAGLBSA-N 1 1 198.354 2.153 10 0 AEAEMO CC[NH2+]C(C)(C)CN[C@@H]1CCC1(C)C 308579841 573418037 /nfs/dbraw/zinc/41/80/37/573418037.db2.gz GECKKRMBMOXJGV-SNVBAGLBSA-N 1 1 198.354 2.153 10 0 AEAEMO C[C@H](N)C[NH2+]CC(C)(C)C1CCCC1 258646197 573417337 /nfs/dbraw/zinc/41/73/37/573417337.db2.gz ABIGIEAMABZTRD-JTQLQIEISA-N 1 1 198.354 2.140 10 0 AEAEMO CC[C@@H]1CC[N@H+]([C@H](C)[C@H](C)OC)C1 308387750 573417439 /nfs/dbraw/zinc/41/74/39/573417439.db2.gz XYIKMHKKLFDCKR-OUAUKWLOSA-N 1 1 185.311 2.142 10 0 AEAEMO CCNC(C)(C)C[NH2+][C@H]1CCC1(C)C 308579840 573417504 /nfs/dbraw/zinc/41/75/04/573417504.db2.gz GECKKRMBMOXJGV-JTQLQIEISA-N 1 1 198.354 2.153 10 0 AEAEMO CC[NH2+]C(C)(C)CN[C@H]1CCC1(C)C 308579840 573417509 /nfs/dbraw/zinc/41/75/09/573417509.db2.gz GECKKRMBMOXJGV-JTQLQIEISA-N 1 1 198.354 2.153 10 0 AEAEMO CC[C@@H]1CC[N@H+]([C@H](C)[C@@H](C)OC)C1 308387748 573417593 /nfs/dbraw/zinc/41/75/93/573417593.db2.gz XYIKMHKKLFDCKR-GMTAPVOTSA-N 1 1 185.311 2.142 10 0 AEAEMO CC[C@@H]1CC[N@H+]([C@@H](C)[C@@H](C)OC)C1 308387749 573417757 /nfs/dbraw/zinc/41/77/57/573417757.db2.gz XYIKMHKKLFDCKR-HBNTYKKESA-N 1 1 185.311 2.142 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@H](O)C1(C)C 308579218 573418014 /nfs/dbraw/zinc/41/80/14/573418014.db2.gz OFKRWCBQYUZVLO-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H](C)C[N@H+](CC)C1CCNCC1 50427171 573421561 /nfs/dbraw/zinc/42/15/61/573421561.db2.gz VUYHVNYMCMOIDJ-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](C)C[N@@H+](CC)C1CCNCC1 50427171 573421567 /nfs/dbraw/zinc/42/15/67/573421567.db2.gz VUYHVNYMCMOIDJ-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)C[N@H+](CC)C1CCNCC1 50427172 573421716 /nfs/dbraw/zinc/42/17/16/573421716.db2.gz VUYHVNYMCMOIDJ-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)C[N@@H+](CC)C1CCNCC1 50427172 573421719 /nfs/dbraw/zinc/42/17/19/573421719.db2.gz VUYHVNYMCMOIDJ-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](F)C[N@H+](C)Cc1ccco1 308381844 573421889 /nfs/dbraw/zinc/42/18/89/573421889.db2.gz UWZGSCWLIONQGL-VIFPVBQESA-N 1 1 185.242 2.460 10 0 AEAEMO CC[C@H](F)C[N@@H+](C)Cc1ccco1 308381844 573421895 /nfs/dbraw/zinc/42/18/95/573421895.db2.gz UWZGSCWLIONQGL-VIFPVBQESA-N 1 1 185.242 2.460 10 0 AEAEMO CC[C@H](C)C[N@@H+](CC)[C@@H](C)C(C)=O 86438021 573426300 /nfs/dbraw/zinc/42/63/00/573426300.db2.gz LDVUHNWSWAJVSY-UWVGGRQHSA-N 1 1 185.311 2.332 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@H](CO)CCC1(C)C 259446519 573426813 /nfs/dbraw/zinc/42/68/13/573426813.db2.gz OWUGCRJNATUZQF-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@@H]1C1(O)CCC1 258028277 573429952 /nfs/dbraw/zinc/42/99/52/573429952.db2.gz NSTKPHKMZWYFHR-LLVKDONJSA-N 1 1 197.322 2.164 10 0 AEAEMO C[C@@H]1C[NH2+][C@](C)(c2ccccc2F)O1 258658010 573445426 /nfs/dbraw/zinc/44/54/26/573445426.db2.gz SKXSBRNJFBXYCP-KCJUWKMLSA-N 1 1 195.237 2.007 10 0 AEAEMO CC(C)[N@H+]1CC[C@@H](CCO)CC1(C)C 259455262 573453362 /nfs/dbraw/zinc/45/33/62/573453362.db2.gz POUBSQQOQJRADT-NSHDSACASA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1C1(CN)CCC1 86474947 573453470 /nfs/dbraw/zinc/45/34/70/573453470.db2.gz PVLUDUVMYJZHAV-NSHDSACASA-N 1 1 196.338 2.132 10 0 AEAEMO CCN1CCC[C@H]1[C@@]1(C)CCCC[NH2+]1 258362510 573453688 /nfs/dbraw/zinc/45/36/88/573453688.db2.gz ZKMYIFGMJJBMIV-NWDGAFQWSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@H](CC[NH3+])c1ccc(N)c(S)c1 259454602 573453759 /nfs/dbraw/zinc/45/37/59/573453759.db2.gz KSNNNYGRAFTFTE-SSDOTTSWSA-N 1 1 196.319 2.010 10 0 AEAEMO O=C1C[NH2+]CC[C@H]1C1CCCCCC1 257817197 573453800 /nfs/dbraw/zinc/45/38/00/573453800.db2.gz DQQJRPBNMRWDBI-NSHDSACASA-N 1 1 195.306 2.135 10 0 AEAEMO CCN1CCC[C@@H]1[C@]1(C)CCCC[NH2+]1 258362508 573458890 /nfs/dbraw/zinc/45/88/90/573458890.db2.gz ZKMYIFGMJJBMIV-NEPJUHHUSA-N 1 1 196.338 2.003 10 0 AEAEMO CCCc1[nH]c(C(C)(C)[NH2+]C)nc1C 258497740 573458907 /nfs/dbraw/zinc/45/89/07/573458907.db2.gz DQSXXIDOGUKATA-UHFFFAOYSA-N 1 1 195.310 2.125 10 0 AEAEMO CCN1CCC[C@H]1[C@]1(C)CCCC[NH2+]1 258362511 573458308 /nfs/dbraw/zinc/45/83/08/573458308.db2.gz ZKMYIFGMJJBMIV-RYUDHWBXSA-N 1 1 196.338 2.003 10 0 AEAEMO FC1(F)C[NH2+][C@H](c2ccccc2)C1 107263080 573458383 /nfs/dbraw/zinc/45/83/83/573458383.db2.gz SRAPWZXAGRRSJX-VIFPVBQESA-N 1 1 183.201 2.356 10 0 AEAEMO C[C@@H](CC[NH3+])c1ccc(N)c(S)c1 259454605 573458647 /nfs/dbraw/zinc/45/86/47/573458647.db2.gz KSNNNYGRAFTFTE-ZETCQYMHSA-N 1 1 196.319 2.010 10 0 AEAEMO C[NH+](C)C[C@H](F)c1ccccc1 107267020 573458821 /nfs/dbraw/zinc/45/88/21/573458821.db2.gz MHMQDOJQUSYUIR-JTQLQIEISA-N 1 1 167.227 2.259 10 0 AEAEMO CC(C)C[N@H+]1CCC[C@H](CO)C1(C)C 259457390 573459783 /nfs/dbraw/zinc/45/97/83/573459783.db2.gz PVKQYQBWJQEBGO-LLVKDONJSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)Cc1cn2c([nH+]1)CCCC2 258372268 573460048 /nfs/dbraw/zinc/46/00/48/573460048.db2.gz MIAZDVYPERRZKD-UHFFFAOYSA-N 1 1 178.279 2.418 10 0 AEAEMO Cc1ccc([C@]2(C)[NH2+]C(C)(C)CO2)o1 258366453 573460150 /nfs/dbraw/zinc/46/01/50/573460150.db2.gz GMUPQPSXNHKJME-LLVKDONJSA-N 1 1 195.262 2.159 10 0 AEAEMO CC(=O)C[C@@H]1CCC[N@H+]1C1CCCC1 86497574 573460895 /nfs/dbraw/zinc/46/08/95/573460895.db2.gz IWGHKTBRNKLXEK-LBPRGKRZSA-N 1 1 195.306 2.373 10 0 AEAEMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCC1=O 86498323 573461044 /nfs/dbraw/zinc/46/10/44/573461044.db2.gz CQDDACHUDCKUBL-WDEREUQCSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC[N@H+]1CCC[C@H]1[C@@H]1CCCC1=O 86494002 573461106 /nfs/dbraw/zinc/46/11/06/573461106.db2.gz KDXMQPBVHFWXEC-QWRGUYRKSA-N 1 1 195.306 2.230 10 0 AEAEMO Cc1ccc([C@@]2(C)[NH2+]C[C@@H](C)CO2)o1 258385729 573461174 /nfs/dbraw/zinc/46/11/74/573461174.db2.gz HMOUJGXJQQZIFX-KCJUWKMLSA-N 1 1 195.262 2.017 10 0 AEAEMO Cc1ccc([C@@]2(C)[NH2+]C[C@H](C)CO2)o1 258385736 573461281 /nfs/dbraw/zinc/46/12/81/573461281.db2.gz HMOUJGXJQQZIFX-KWQFWETISA-N 1 1 195.262 2.017 10 0 AEAEMO CC(=O)C[C@@H]1CCCC[N@@H+]1C(C)C 86499152 573461347 /nfs/dbraw/zinc/46/13/47/573461347.db2.gz OCXLJJITVJMQFO-NSHDSACASA-N 1 1 183.295 2.228 10 0 AEAEMO CCCc1noc([C@H](C)[NH2+]C(C)C)n1 308592035 573461458 /nfs/dbraw/zinc/46/14/58/573461458.db2.gz KTFVESYSNORYHP-QMMMGPOBSA-N 1 1 197.282 2.081 10 0 AEAEMO CC(C)(C)[C@@H]1CC[NH2+]CC1(F)F 107273765 573467681 /nfs/dbraw/zinc/46/76/81/573467681.db2.gz KCPTWRAHQQJXFK-ZETCQYMHSA-N 1 1 177.238 2.277 10 0 AEAEMO FC1(F)C[NH2+]CC[C@H]1C1CCC1 257815899 573467795 /nfs/dbraw/zinc/46/77/95/573467795.db2.gz BMYUOXRMNXDNOF-QMMMGPOBSA-N 1 1 175.222 2.031 10 0 AEAEMO C[C@H]([NH3+])C(F)(F)c1ccc(F)cc1 107276512 573467273 /nfs/dbraw/zinc/46/72/73/573467273.db2.gz XQISNWAIRFJURZ-LURJTMIESA-N 1 1 189.180 2.265 10 0 AEAEMO C[N@@H+]1CC[C@@H](F)[C@@H]1c1cccc(O)c1 107279099 573472131 /nfs/dbraw/zinc/47/21/31/573472131.db2.gz ZIXVPELPZSAJNK-MNOVXSKESA-N 1 1 195.237 2.107 10 0 AEAEMO C[N@H+]1CC[C@@H](F)[C@@H]1c1cccc(O)c1 107279099 573472134 /nfs/dbraw/zinc/47/21/34/573472134.db2.gz ZIXVPELPZSAJNK-MNOVXSKESA-N 1 1 195.237 2.107 10 0 AEAEMO CC1(C)CCC(=O)C[N@H+]1C1CCCC1 259463157 573472348 /nfs/dbraw/zinc/47/23/48/573472348.db2.gz QEJBYUWILKSSTA-UHFFFAOYSA-N 1 1 195.306 2.373 10 0 AEAEMO CCCCC[N@@H+](C)[C@H]1CCC[C@]1(C)O 308582957 573472630 /nfs/dbraw/zinc/47/26/30/573472630.db2.gz KSUFWOWBUGETRD-RYUDHWBXSA-N 1 1 199.338 2.412 10 0 AEAEMO Cc1ccc([C@]2(C)[NH2+]CC(C)(C)O2)o1 258678079 573480614 /nfs/dbraw/zinc/48/06/14/573480614.db2.gz TTZNPASGHNCSCZ-LLVKDONJSA-N 1 1 195.262 2.159 10 0 AEAEMO c1coc([C@@H]2[NH2+]Cc3ccccc32)c1 83389364 573480781 /nfs/dbraw/zinc/48/07/81/573480781.db2.gz NHCZGDKKEQDEGK-GFCCVEGCSA-N 1 1 185.226 2.472 10 0 AEAEMO c1coc([C@H]2[NH2+]Cc3ccccc32)c1 83389363 573481013 /nfs/dbraw/zinc/48/10/13/573481013.db2.gz NHCZGDKKEQDEGK-LBPRGKRZSA-N 1 1 185.226 2.472 10 0 AEAEMO CC(C)(C)[N@H+]1C[C@@H](O)CCC1(C)C 259468962 573481126 /nfs/dbraw/zinc/48/11/26/573481126.db2.gz QPGKRVKSMNIBOG-VIFPVBQESA-N 1 1 185.311 2.020 10 0 AEAEMO CCC(CC)[N@H+]1CCC[C@H]1C[C@@H](C)[NH3+] 308596529 573481225 /nfs/dbraw/zinc/48/12/25/573481225.db2.gz SEJRUNRSVYFRFU-PWSUYJOCSA-N 1 1 198.354 2.377 10 0 AEAEMO Cc1cn(C[C@H]2CCCS2)c(C)[nH+]1 715840291 573481229 /nfs/dbraw/zinc/48/12/29/573481229.db2.gz BAVWMARPZVSCOT-SNVBAGLBSA-N 1 1 196.319 2.396 10 0 AEAEMO CCC(CC)[N@H+]1CCC[C@H]1C[C@H](C)[NH3+] 308596528 573481265 /nfs/dbraw/zinc/48/12/65/573481265.db2.gz SEJRUNRSVYFRFU-JQWIXIFHSA-N 1 1 198.354 2.377 10 0 AEAEMO C[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[C@@H]1O 86535995 573483761 /nfs/dbraw/zinc/48/37/61/573483761.db2.gz NIVFQFVXUNXFLU-WOPDTQHZSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)[C@H](CO)[N@@H+](C)CC1CCCC1 258677723 573483774 /nfs/dbraw/zinc/48/37/74/573483774.db2.gz AQKJISLLATVGLT-LBPRGKRZSA-N 1 1 199.338 2.125 10 0 AEAEMO Cc1[nH+]ccn1-c1noc2ccccc12 308787854 573495313 /nfs/dbraw/zinc/49/53/13/573495313.db2.gz HCJFDEFRKVIPKQ-UHFFFAOYSA-N 1 1 199.213 2.322 10 0 AEAEMO CCC[N@H+]1CC[C@@H](CCO)CC1(C)C 259474558 573496011 /nfs/dbraw/zinc/49/60/11/573496011.db2.gz QZEDKIOXBNHLKL-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)[C@H](C)[C@H](CN)[N@H+]1CCC[C@@H]1C 393666391 573496031 /nfs/dbraw/zinc/49/60/31/573496031.db2.gz KFXRPEPVIJMAGW-SRVKXCTJSA-N 1 1 198.354 2.090 10 0 AEAEMO C/C=C\C[N@H+]1C[C@](C)(CC)NC[C@H]1C 308399369 573503694 /nfs/dbraw/zinc/50/36/94/573503694.db2.gz CWVWZRPURBVEQJ-OXTPZFROSA-N 1 1 196.338 2.025 10 0 AEAEMO C/C=C\C[N@@H+]1C[C@](C)(CC)NC[C@H]1C 308399369 573503698 /nfs/dbraw/zinc/50/36/98/573503698.db2.gz CWVWZRPURBVEQJ-OXTPZFROSA-N 1 1 196.338 2.025 10 0 AEAEMO CO[C@H](C)CCNc1ccc(C)c[nH+]1 308609550 573502939 /nfs/dbraw/zinc/50/29/39/573502939.db2.gz QGATYVKGGMIJKE-SNVBAGLBSA-N 1 1 194.278 2.227 10 0 AEAEMO CC(=O)CCC[C@H]1CCC[N@H+](C)C1 259109606 573503146 /nfs/dbraw/zinc/50/31/46/573503146.db2.gz KSTTUCIKCVJKBC-NSHDSACASA-N 1 1 183.295 2.088 10 0 AEAEMO CCC[C@@H]1CCC[C@]([NH3+])(CN)CC1 83437698 573503236 /nfs/dbraw/zinc/50/32/36/573503236.db2.gz OKCBUPQTOMRLIK-GHMZBOCLSA-N 1 1 184.327 2.023 10 0 AEAEMO C[N@@H+](Cc1ccc[nH]1)CC(C)(C)C 308398177 573503295 /nfs/dbraw/zinc/50/32/95/573503295.db2.gz FSFIOLPKHDYSOI-UHFFFAOYSA-N 1 1 180.295 2.493 10 0 AEAEMO C[C@H](C1CC1)[N@@H+](C)[C@@H]1CCCC(=O)C1 86600035 573505580 /nfs/dbraw/zinc/50/55/80/573505580.db2.gz MCBLHOIPXQLDIL-MWLCHTKSSA-N 1 1 195.306 2.228 10 0 AEAEMO C[N@@H+](C1CCCC1)[C@H]1CCCC(=O)C1 86599959 573505213 /nfs/dbraw/zinc/50/52/13/573505213.db2.gz HKUPEZZMUXRKAN-NSHDSACASA-N 1 1 195.306 2.373 10 0 AEAEMO C[C@@H](C1CC1)[N@@H+](C)[C@@H]1CCCC(=O)C1 86600034 573505308 /nfs/dbraw/zinc/50/53/08/573505308.db2.gz MCBLHOIPXQLDIL-GXSJLCMTSA-N 1 1 195.306 2.228 10 0 AEAEMO COC[N@H+](C)CCc1ccc(C)cc1 259123015 573606617 /nfs/dbraw/zinc/60/66/17/573606617.db2.gz QCUJZPJRKNGLTL-UHFFFAOYSA-N 1 1 193.290 2.073 10 0 AEAEMO COC[N@@H+](C)CCc1ccc(C)cc1 259123015 573606619 /nfs/dbraw/zinc/60/66/19/573606619.db2.gz QCUJZPJRKNGLTL-UHFFFAOYSA-N 1 1 193.290 2.073 10 0 AEAEMO CCC[N@@H+](CCN)CC1(C)CCCC1 308648940 573606760 /nfs/dbraw/zinc/60/67/60/573606760.db2.gz IXOWDMDTKJMCQT-UHFFFAOYSA-N 1 1 198.354 2.237 10 0 AEAEMO CCCN(CC[NH3+])CC1(C)CCCC1 308648940 573606764 /nfs/dbraw/zinc/60/67/64/573606764.db2.gz IXOWDMDTKJMCQT-UHFFFAOYSA-N 1 1 198.354 2.237 10 0 AEAEMO CN(C)[C@@]1(C[NH3+])CCCC(C)(C)CC1 83435989 573506567 /nfs/dbraw/zinc/50/65/67/573506567.db2.gz QIUFGTNIDUQCKU-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CN(C)[C@]1(C[NH3+])CCCC(C)(C)CC1 83435988 573506615 /nfs/dbraw/zinc/50/66/15/573506615.db2.gz QIUFGTNIDUQCKU-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO C[N@@H+](CCN)[C@@H]1CCCC(C)(C)CC1 83436346 573506762 /nfs/dbraw/zinc/50/67/62/573506762.db2.gz MTRXTVGBIBHVFS-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CN(CC[NH3+])[C@@H]1CCCC(C)(C)CC1 83436346 573506767 /nfs/dbraw/zinc/50/67/67/573506767.db2.gz MTRXTVGBIBHVFS-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@H]1CCC[C@@]([NH3+])(CN)CC1 83437700 573506818 /nfs/dbraw/zinc/50/68/18/573506818.db2.gz OKCBUPQTOMRLIK-MNOVXSKESA-N 1 1 184.327 2.023 10 0 AEAEMO C[C@@H]1CCC[N@H+]([C@@H]2CCCC(=O)C2)C1 86599870 573506829 /nfs/dbraw/zinc/50/68/29/573506829.db2.gz HJLRVDNOEYTHLX-GHMZBOCLSA-N 1 1 195.306 2.230 10 0 AEAEMO Cc1[nH+]c(N)[nH]c1CC1CCCC1 258716034 573506870 /nfs/dbraw/zinc/50/68/70/573506870.db2.gz IDFQZAZFTWYLBQ-UHFFFAOYSA-N 1 1 179.267 2.033 10 0 AEAEMO Oc1ccc([C@]23CCC[N@@H+]2CC3)cc1 258048520 573506980 /nfs/dbraw/zinc/50/69/80/573506980.db2.gz RCHMPUNATDHJNU-GFCCVEGCSA-N 1 1 189.258 2.087 10 0 AEAEMO C/C=C\C[N@H+]1C[C@H](CC)NCC1(C)C 308399715 573508472 /nfs/dbraw/zinc/50/84/72/573508472.db2.gz FSDBMQAVMMFHAC-XOIDGJRKSA-N 1 1 196.338 2.025 10 0 AEAEMO C/C=C\C[N@@H+]1C[C@H](CC)NCC1(C)C 308399715 573508476 /nfs/dbraw/zinc/50/84/76/573508476.db2.gz FSDBMQAVMMFHAC-XOIDGJRKSA-N 1 1 196.338 2.025 10 0 AEAEMO CCC[N@@H+](CC)[C@@H]1CCCC(=O)C1 86599961 573508600 /nfs/dbraw/zinc/50/86/00/573508600.db2.gz SIDNZTXVEXFQCE-SNVBAGLBSA-N 1 1 183.295 2.230 10 0 AEAEMO CC[N@@H+](C(C)C)[C@@H]1CCCC(=O)C1 86599946 573508083 /nfs/dbraw/zinc/50/80/83/573508083.db2.gz MONCIGNTLPYTNU-SNVBAGLBSA-N 1 1 183.295 2.228 10 0 AEAEMO CC[C@H]1CCC[N@H+]1[C@@H]1CCCC(=O)C1 86600161 573508306 /nfs/dbraw/zinc/50/83/06/573508306.db2.gz XJIJBYDNIGDPBG-WDEREUQCSA-N 1 1 195.306 2.373 10 0 AEAEMO CCC[N@@H+](CC)[C@@H]1CCC[C@H]([NH2+]C)C1 86599256 573508390 /nfs/dbraw/zinc/50/83/90/573508390.db2.gz SQCPPGGZUUOOKF-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1[C@@H]1CCC[C@H](O)C1 86601720 573514851 /nfs/dbraw/zinc/51/48/51/573514851.db2.gz PSDXGXYCVFILBW-UTUOFQBUSA-N 1 1 197.322 2.164 10 0 AEAEMO Nc1cc(Cc2ccsc2)cc[nH+]1 83453281 573514865 /nfs/dbraw/zinc/51/48/65/573514865.db2.gz CBZMHLIYWQEGLE-UHFFFAOYSA-N 1 1 190.271 2.316 10 0 AEAEMO CC1(C)CCC[N@H+]1[C@H]1CCCC(=O)C1 86601250 573514400 /nfs/dbraw/zinc/51/44/00/573514400.db2.gz AOYLBSKQQLHVSZ-JTQLQIEISA-N 1 1 195.306 2.373 10 0 AEAEMO CNc1[nH]c(CCC(C)C)c(C)[nH+]1 258727371 573514565 /nfs/dbraw/zinc/51/45/65/573514565.db2.gz IRZMXZYLNCBXNN-UHFFFAOYSA-N 1 1 181.283 2.348 10 0 AEAEMO CC[N@H+]1Cc2cccc(NC)c2C1 259489758 573522064 /nfs/dbraw/zinc/52/20/64/573522064.db2.gz ZTWRXPWOAYVJRX-UHFFFAOYSA-N 1 1 176.263 2.064 10 0 AEAEMO C[N@@H+](CC1CCCC1)[C@@H]1CCC(=O)C1 86618530 573522204 /nfs/dbraw/zinc/52/22/04/573522204.db2.gz JZCMFHWAQTXWSW-LLVKDONJSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@@H]1CCC[N@H+]([C@@H]2CCC(=O)C2)CC1 86618528 573521423 /nfs/dbraw/zinc/52/14/23/573521423.db2.gz JKLSFDDPKWTISM-GHMZBOCLSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@H]([N@@H+](C)[C@@H]1CCC(=O)C1)C(C)(C)C 86618014 573521434 /nfs/dbraw/zinc/52/14/34/573521434.db2.gz YJHIIVJWJAKKCE-VHSXEESVSA-N 1 1 197.322 2.474 10 0 AEAEMO CCC[N@@H+](CCC[NH3+])CC1(C)CCC1 308606192 573521457 /nfs/dbraw/zinc/52/14/57/573521457.db2.gz HVXQDOFFNBTMHF-UHFFFAOYSA-N 1 1 198.354 2.237 10 0 AEAEMO C[C@H]1CC[C@@H](C)C[N@H+]1[C@@H]1CCC(=O)C1 86618612 573521576 /nfs/dbraw/zinc/52/15/76/573521576.db2.gz PDHLKKWJDUXGIG-OUAUKWLOSA-N 1 1 195.306 2.228 10 0 AEAEMO C[NH2+][C@H](CCN(C)C)CC1(C)CCC1 308607294 573521751 /nfs/dbraw/zinc/52/17/51/573521751.db2.gz JEGHFCQFEJAOBU-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H]1CCC[N@H+]([C@@H]2CCC(=O)C2)C1 86617887 573521809 /nfs/dbraw/zinc/52/18/09/573521809.db2.gz LJSCXNTWCIOTAP-WDEREUQCSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)C2)[C@H](C)C1 86618313 573522343 /nfs/dbraw/zinc/52/23/43/573522343.db2.gz MSAJIOZLVHALPA-GMTAPVOTSA-N 1 1 195.306 2.228 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1[C@@H]1CCC(=O)C1 86618573 573522436 /nfs/dbraw/zinc/52/24/36/573522436.db2.gz XNRYFMVRFMYCMY-WDEREUQCSA-N 1 1 195.306 2.373 10 0 AEAEMO CC(C)c1[nH+]ccn1[C@@H]1CCC(=O)C1 86618777 573523045 /nfs/dbraw/zinc/52/30/45/573523045.db2.gz WQZXIJBGPNWPQV-SECBINFHSA-N 1 1 192.262 2.301 10 0 AEAEMO CC[N@@H+](C1CCCC1)[C@@H]1CCC(=O)C1 86617868 573522702 /nfs/dbraw/zinc/52/27/02/573522702.db2.gz DIDPEFYQYGBWAT-LLVKDONJSA-N 1 1 195.306 2.373 10 0 AEAEMO CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CCC(=O)C1 86618616 573522825 /nfs/dbraw/zinc/52/28/25/573522825.db2.gz BYAMJYMPHYRMHD-PWSUYJOCSA-N 1 1 195.306 2.228 10 0 AEAEMO CC(C)c1[nH+]ccn1[C@H]1CCC(=O)C1 86618778 573522913 /nfs/dbraw/zinc/52/29/13/573522913.db2.gz WQZXIJBGPNWPQV-VIFPVBQESA-N 1 1 192.262 2.301 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@H]1CC[C@H](O)C1 86620880 573524068 /nfs/dbraw/zinc/52/40/68/573524068.db2.gz AQICOGDXEWVDLT-UWVGGRQHSA-N 1 1 185.311 2.020 10 0 AEAEMO CCc1cccc(C(F)(F)C[NH3+])c1 257826690 573524071 /nfs/dbraw/zinc/52/40/71/573524071.db2.gz HFWBZELBHIQXFF-UHFFFAOYSA-N 1 1 185.217 2.300 10 0 AEAEMO C[C@H]([N@@H+](C)[C@@H]1CC[C@H](O)C1)C(C)(C)C 86620507 573524136 /nfs/dbraw/zinc/52/41/36/573524136.db2.gz KHZATXNPRJNNJR-AXFHLTTASA-N 1 1 199.338 2.266 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1[C@@H]1CC[C@H](O)C1 86620895 573524169 /nfs/dbraw/zinc/52/41/69/573524169.db2.gz JGXNWKAHSMFTSO-UTUOFQBUSA-N 1 1 197.322 2.164 10 0 AEAEMO C[C@H]1CC[C@@H](C)C[N@H+]1[C@@H]1CC[C@H](O)C1 86620971 573524259 /nfs/dbraw/zinc/52/42/59/573524259.db2.gz KSXJENRMZCTXKW-KXNHARMFSA-N 1 1 197.322 2.020 10 0 AEAEMO CC1(C)CCC[N@H+]([C@H]2CC[C@H](O)C2)C1 86620890 573526582 /nfs/dbraw/zinc/52/65/82/573526582.db2.gz OWERPJNZOYBJMO-QWRGUYRKSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCCC[N@@H+](C)[C@@H]1CC[C@H](O)C1 86620389 573526624 /nfs/dbraw/zinc/52/66/24/573526624.db2.gz IYOPWMUCWVUPLR-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO CC[N@@H+](C1CCCC1)[C@H]1CC[C@H](O)C1 86620396 573526659 /nfs/dbraw/zinc/52/66/59/573526659.db2.gz JXQQZJJVGHPEQL-RYUDHWBXSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@H](O)C1 86620355 573526819 /nfs/dbraw/zinc/52/68/19/573526819.db2.gz DLTGPIKFZQENQQ-UTUOFQBUSA-N 1 1 197.322 2.164 10 0 AEAEMO C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](O)C2)[C@@H]1C 86620741 573526928 /nfs/dbraw/zinc/52/69/28/573526928.db2.gz QIORZPHRJXLPQQ-KKOKHZNYSA-N 1 1 197.322 2.020 10 0 AEAEMO CC[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](O)C2)C1 86620427 573527044 /nfs/dbraw/zinc/52/70/44/573527044.db2.gz AAOUSKKDIWGYGY-UTUOFQBUSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@H+](C1CCCCC1)[C@H]1CC[C@H](O)C1 86620261 573527075 /nfs/dbraw/zinc/52/70/75/573527075.db2.gz AYCKIRMVYNPCHR-RYUDHWBXSA-N 1 1 197.322 2.164 10 0 AEAEMO CC(C)c1[nH+]ccn1[C@@H]1CC[C@@H](O)C1 86621093 573527189 /nfs/dbraw/zinc/52/71/89/573527189.db2.gz GRYLSZLTQCPJPH-NXEZZACHSA-N 1 1 194.278 2.092 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@@H](CCO)CC1(C)C 259488604 573527251 /nfs/dbraw/zinc/52/72/51/573527251.db2.gz RXTLKJMCGPBSMC-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H](C)[N@H+]1C[C@@H](CCO)CC1(C)C 259488602 573527293 /nfs/dbraw/zinc/52/72/93/573527293.db2.gz RXTLKJMCGPBSMC-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H](c1ccc2nc[nH]c2c1)[NH+](C)C 259105584 573542087 /nfs/dbraw/zinc/54/20/87/573542087.db2.gz HKFVAUKKMZVROS-MRVPVSSYSA-N 1 1 189.262 2.186 10 0 AEAEMO C[N@H+]1CCCC[C@@H]1CCC1(O)CCC1 258056698 573542297 /nfs/dbraw/zinc/54/22/97/573542297.db2.gz PLGLMPJLOYMIDT-LLVKDONJSA-N 1 1 197.322 2.166 10 0 AEAEMO CC1(C)CC[N@@H+](C(C)(C)C)CC1=O 259105076 573542321 /nfs/dbraw/zinc/54/23/21/573542321.db2.gz AVBYXKHLIKZNFY-UHFFFAOYSA-N 1 1 183.295 2.086 10 0 AEAEMO CC1(C)CC[N@H+](C(C)(C)C)CC1=O 259105076 573542326 /nfs/dbraw/zinc/54/23/26/573542326.db2.gz AVBYXKHLIKZNFY-UHFFFAOYSA-N 1 1 183.295 2.086 10 0 AEAEMO CC1(C)CC(=O)CC[N@H+]1C1CCCC1 259499923 573544615 /nfs/dbraw/zinc/54/46/15/573544615.db2.gz SWTTVBPIUFJIOJ-UHFFFAOYSA-N 1 1 195.306 2.373 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@H+]1CC(C)(C)O 124620447 573555653 /nfs/dbraw/zinc/55/56/53/573555653.db2.gz ROMNEIUAPOOKEQ-VHSXEESVSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@@H]1CC[C@@H](C)[N@H+]1CC(C)(C)O 124620908 573555688 /nfs/dbraw/zinc/55/56/88/573555688.db2.gz ROMNEIUAPOOKEQ-NXEZZACHSA-N 1 1 185.311 2.020 10 0 AEAEMO CCCC(=O)c1[nH]c(C)nc1C 197041702 573555804 /nfs/dbraw/zinc/55/58/04/573555804.db2.gz YSIJSFRLUQLOJX-UHFFFAOYSA-N 1 1 166.224 2.009 10 0 AEAEMO CCC(CC)[N@@H+](CCN)C(C)(C)C 689970047 573555837 /nfs/dbraw/zinc/55/58/37/573555837.db2.gz OGBWLKVGCVROHJ-UHFFFAOYSA-N 1 1 186.343 2.234 10 0 AEAEMO c1ccc2c(c1)C[N@@H+]1C[C@@H]3C[C@@H]3[C@H]21 257831393 573567451 /nfs/dbraw/zinc/56/74/51/573567451.db2.gz JPYIRACNWAUDPJ-DLOVCJGASA-N 1 1 171.243 2.193 10 0 AEAEMO CC(=O)[C@@H](c1sccc1C)[NH+](C)C 259112823 573567522 /nfs/dbraw/zinc/56/75/22/573567522.db2.gz CYYFAWROTALIJN-VIFPVBQESA-N 1 1 197.303 2.248 10 0 AEAEMO CC(=O)[C@H](c1sccc1C)[NH+](C)C 259112820 573567565 /nfs/dbraw/zinc/56/75/65/573567565.db2.gz CYYFAWROTALIJN-SECBINFHSA-N 1 1 197.303 2.248 10 0 AEAEMO C[NH2+]CCC[N@@H+](C)CC1(C)CCCC1 308636906 573575412 /nfs/dbraw/zinc/57/54/12/573575412.db2.gz BIMLQERCTTXURS-UHFFFAOYSA-N 1 1 198.354 2.108 10 0 AEAEMO CC(C)CCCC[NH+]1CCC(=O)CC1 147561395 573589181 /nfs/dbraw/zinc/58/91/81/573589181.db2.gz QVKFVJFNLSLUFE-UHFFFAOYSA-N 1 1 197.322 2.478 10 0 AEAEMO CC[C@H]1CC[N@H+]1CC(O)(CC)CC 308405646 573593002 /nfs/dbraw/zinc/59/30/02/573593002.db2.gz LKVODGJITYFNIT-JTQLQIEISA-N 1 1 185.311 2.022 10 0 AEAEMO CNC[C@@H](C)[N@@H+]1CCCC(C)(C)CC1 83681167 573593092 /nfs/dbraw/zinc/59/30/92/573593092.db2.gz ZWKFBANXMCMKKG-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CNC[C@@H](C)[N@H+]1CCCC(C)(C)CC1 83681167 573593099 /nfs/dbraw/zinc/59/30/99/573593099.db2.gz ZWKFBANXMCMKKG-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H]1CC[N@H+]1CC(O)(CC)CC 308405647 573593433 /nfs/dbraw/zinc/59/34/33/573593433.db2.gz LKVODGJITYFNIT-SNVBAGLBSA-N 1 1 185.311 2.022 10 0 AEAEMO C/C=C\CNC(C)(C)C[NH+](CC)CC 308632974 573593456 /nfs/dbraw/zinc/59/34/56/573593456.db2.gz UIJYIXQAJSQLFG-TWGQIWQCSA-N 1 1 198.354 2.273 10 0 AEAEMO CC(C)(O)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 83701818 573597022 /nfs/dbraw/zinc/59/70/22/573597022.db2.gz DWAQNCPUXBAARS-QWRGUYRKSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@]1(CNC2CCCC2)CCC[NH2+]1 215396774 573597325 /nfs/dbraw/zinc/59/73/25/573597325.db2.gz UMVVXNKGBAMQOD-LBPRGKRZSA-N 1 1 196.338 2.051 10 0 AEAEMO CC1(C)[C@H](CCO)CCC[N@H+]1C1CC1 259522779 573597350 /nfs/dbraw/zinc/59/73/50/573597350.db2.gz VIYULTBLVANBJM-JTQLQIEISA-N 1 1 197.322 2.022 10 0 AEAEMO CC(=O)CC[N@H+]1CCC[C@H]2CCC[C@@H]21 83701694 573599377 /nfs/dbraw/zinc/59/93/77/573599377.db2.gz UDJWJTCBAQMHGZ-NEPJUHHUSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(=O)CC[N@H+]1CCC[C@@H]2CCC[C@@H]21 83701697 573599480 /nfs/dbraw/zinc/59/94/80/573599480.db2.gz UDJWJTCBAQMHGZ-RYUDHWBXSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@@H](C)c1nnc(C[NH2+]C(C)C)o1 50615986 573613565 /nfs/dbraw/zinc/61/35/65/573613565.db2.gz MFDNOIIMBALVON-MRVPVSSYSA-N 1 1 197.282 2.081 10 0 AEAEMO Cc1cc(N)cc2[nH+]cccc12 238449862 573612965 /nfs/dbraw/zinc/61/29/65/573612965.db2.gz KRHRADSIGIKNNE-UHFFFAOYSA-N 1 1 158.204 2.125 10 0 AEAEMO C/C=C\CN1CCC[NH2+][C@@](C)(CC)C1 308407311 573613194 /nfs/dbraw/zinc/61/31/94/573613194.db2.gz ULOYCWWADTYYCL-RNZFLTOJSA-N 1 1 196.338 2.027 10 0 AEAEMO CC[N@H+](C)Cc1cnc(Cl)s1 86776424 573614356 /nfs/dbraw/zinc/61/43/56/573614356.db2.gz RRNHFTVTFCYAIT-UHFFFAOYSA-N 1 1 190.699 2.248 10 0 AEAEMO CC[N@@H+](C)Cc1cnc(Cl)s1 86776424 573614364 /nfs/dbraw/zinc/61/43/64/573614364.db2.gz RRNHFTVTFCYAIT-UHFFFAOYSA-N 1 1 190.699 2.248 10 0 AEAEMO CCC(C)(C)[C@H](O)C[N@H+]1CCC[C@@H]1C 308643283 573616626 /nfs/dbraw/zinc/61/66/26/573616626.db2.gz FFKLAQDRRADLSY-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@@H](C)[C@@H](C)[N@@H+](CC)CCN 308642310 573617100 /nfs/dbraw/zinc/61/71/00/573617100.db2.gz FJYXSWLAXBDZCK-GHMZBOCLSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC(C)(C)[C@@H](N)C[N@@H+](C)CC1CC1 308643273 573617242 /nfs/dbraw/zinc/61/72/42/573617242.db2.gz FFCQEJJQGIAWNN-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(C)(C)C(=O)C[N@H+]1CCC[C@H]1C 308658659 573621724 /nfs/dbraw/zinc/62/17/24/573621724.db2.gz OTKVEUYVUWGYDM-SNVBAGLBSA-N 1 1 197.322 2.476 10 0 AEAEMO CCCC[C@@H](C)[N@H+](C)C1CCNCC1 308644882 573622003 /nfs/dbraw/zinc/62/20/03/573622003.db2.gz GMTVCJLBULHXIM-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@@H](C)[N@@H+](C)C1CCNCC1 308644882 573622007 /nfs/dbraw/zinc/62/20/07/573622007.db2.gz GMTVCJLBULHXIM-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[N@@H+](CC(C)(C)C)[C@H]1CCC[C@H]1N 308650078 573625831 /nfs/dbraw/zinc/62/58/31/573625831.db2.gz JPMXSDWTVSSIFA-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO CCN(CC(C)(C)C)[C@H]1CCC[C@H]1[NH3+] 308650078 573625836 /nfs/dbraw/zinc/62/58/36/573625836.db2.gz JPMXSDWTVSSIFA-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H](CCN(C)C)[NH2+][C@H]1CC=CCC1 308650237 573627061 /nfs/dbraw/zinc/62/70/61/573627061.db2.gz KAFHEGKXDIAJOQ-NEPJUHHUSA-N 1 1 196.338 2.025 10 0 AEAEMO CC[C@@](C)([C@H](C)O)[N@@H+](C)CCC1CC1 308649953 573627495 /nfs/dbraw/zinc/62/74/95/573627495.db2.gz JSHGGXXBBAJTQY-JQWIXIFHSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@](C)([C@@H](C)O)[N@@H+](C)CCC1CC1 308649954 573627547 /nfs/dbraw/zinc/62/75/47/573627547.db2.gz JSHGGXXBBAJTQY-PWSUYJOCSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC(C)(C)C(=O)C[N@@H+](C)C1CCC1 308660629 573627702 /nfs/dbraw/zinc/62/77/02/573627702.db2.gz PQLLELQELUTODJ-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO [NH3+]Cc1cnc(C2CCCCCC2)[nH]1 83780018 573628756 /nfs/dbraw/zinc/62/87/56/573628756.db2.gz RCAJETAYSRLEKJ-UHFFFAOYSA-N 1 1 193.294 2.306 10 0 AEAEMO C[C@]1(CO)CC[N@H+](C2CCCCC2)C1 107464617 573628182 /nfs/dbraw/zinc/62/81/82/573628182.db2.gz TVPGADCNNXQHSL-LBPRGKRZSA-N 1 1 197.322 2.023 10 0 AEAEMO C[N@@H+]1CC=C(c2ccccc2O)CC1 75579286 573628337 /nfs/dbraw/zinc/62/83/37/573628337.db2.gz SNJQLWHKQHGFFU-UHFFFAOYSA-N 1 1 189.258 2.111 10 0 AEAEMO C[C@H](CCN(C)C)[NH2+][C@@H]1CC=CCC1 308650240 573628347 /nfs/dbraw/zinc/62/83/47/573628347.db2.gz KAFHEGKXDIAJOQ-VXGBXAGGSA-N 1 1 196.338 2.025 10 0 AEAEMO CC[C@](C)([C@H](C)O)[N@@H+](C)CCC1CC1 308649952 573628618 /nfs/dbraw/zinc/62/86/18/573628618.db2.gz JSHGGXXBBAJTQY-CMPLNLGQSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@](C)([NH3+])CN1C[C@@H](C)C[C@H](C)C1 86808867 573629913 /nfs/dbraw/zinc/62/99/13/573629913.db2.gz IZIMRTFZKWVWPG-SRVKXCTJSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@](C)(N)C[N@H+]1CCC[C@H](C)CC1 86810401 573629980 /nfs/dbraw/zinc/62/99/80/573629980.db2.gz PYUBQQSPWRRNRV-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@](C)([NH3+])CN1CCC[C@H](C)CC1 86810401 573629986 /nfs/dbraw/zinc/62/99/86/573629986.db2.gz PYUBQQSPWRRNRV-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[N@@H+](CC(C)(C)C)[C@H]1CCC[C@@H]1N 308650079 573630013 /nfs/dbraw/zinc/63/00/13/573630013.db2.gz JPMXSDWTVSSIFA-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@](C)(N)C[NH2+]CC1(C)CCCC1 86810445 573630018 /nfs/dbraw/zinc/63/00/18/573630018.db2.gz NTMBOAFKYXWMCF-GFCCVEGCSA-N 1 1 198.354 2.284 10 0 AEAEMO CCN(CC(C)(C)C)[C@H]1CCC[C@@H]1[NH3+] 308650079 573630019 /nfs/dbraw/zinc/63/00/19/573630019.db2.gz JPMXSDWTVSSIFA-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@]1(CO)CC[N@H+](C2CCCCC2)C1 107464619 573630244 /nfs/dbraw/zinc/63/02/44/573630244.db2.gz TVPGADCNNXQHSL-GFCCVEGCSA-N 1 1 197.322 2.023 10 0 AEAEMO C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 259532828 573630312 /nfs/dbraw/zinc/63/03/12/573630312.db2.gz WNGDDVYDVUZXDL-ZETCQYMHSA-N 1 1 181.201 2.281 10 0 AEAEMO CC[C@](C)([C@@H](C)O)[N@@H+](C)CCC1CC1 308649968 573630434 /nfs/dbraw/zinc/63/04/34/573630434.db2.gz JSHGGXXBBAJTQY-ZYHUDNBSSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC(CC)c1nnc([C@H](C)[NH2+]C)o1 50618430 573632118 /nfs/dbraw/zinc/63/21/18/573632118.db2.gz OLHSGPORYUERTG-ZETCQYMHSA-N 1 1 197.282 2.254 10 0 AEAEMO CC[C@@](C)(N)C[N@H+]1C[C@@H](C)C[C@@H](C)C1 86808865 573631707 /nfs/dbraw/zinc/63/17/07/573631707.db2.gz IZIMRTFZKWVWPG-GRYCIOLGSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@](C)([NH3+])CN1C[C@@H](C)C[C@@H](C)C1 86808865 573631710 /nfs/dbraw/zinc/63/17/10/573631710.db2.gz IZIMRTFZKWVWPG-GRYCIOLGSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@](C)(N)C[N@H+]1CCCCC[C@@H]1C 86810513 573631855 /nfs/dbraw/zinc/63/18/55/573631855.db2.gz RXVOAICUNHPTDF-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@@](C)([NH3+])CN1CCCCCCC1 86808948 573631939 /nfs/dbraw/zinc/63/19/39/573631939.db2.gz ZLSKWORZWLLPSR-GFCCVEGCSA-N 1 1 198.354 2.380 10 0 AEAEMO CC[C@](C)(N)C[N@H+]1CCC[C@H](C)[C@@H]1C 86810131 573634355 /nfs/dbraw/zinc/63/43/55/573634355.db2.gz XWLZJVVWWHKGBX-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@](C)([NH3+])CN1CCC[C@H](C)[C@@H]1C 86810131 573634361 /nfs/dbraw/zinc/63/43/61/573634361.db2.gz XWLZJVVWWHKGBX-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[NH2+][C@H](C)c1nnc([C@@H](C)CC)o1 50618856 573634446 /nfs/dbraw/zinc/63/44/46/573634446.db2.gz VXXMCNRPPHXYDL-JGVFFNPUSA-N 1 1 197.282 2.254 10 0 AEAEMO C[NH2+]Cc1c[nH]c([C@@H]2CC[C@@H](C)C2)n1 83790698 573634654 /nfs/dbraw/zinc/63/46/54/573634654.db2.gz UNHWMUSRGMPXTQ-RKDXNWHRSA-N 1 1 193.294 2.033 10 0 AEAEMO CCCC[C@@H](C)[N@@H+](C)CC(C)(C)N 393544947 573634787 /nfs/dbraw/zinc/63/47/87/573634787.db2.gz DFXJXVGLPXDCQC-SNVBAGLBSA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[C@@H](C)N(C)CC(C)(C)[NH3+] 393544947 573634794 /nfs/dbraw/zinc/63/47/94/573634794.db2.gz DFXJXVGLPXDCQC-SNVBAGLBSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@](C)([NH3+])CN1CCCCCCC1 86808945 573634821 /nfs/dbraw/zinc/63/48/21/573634821.db2.gz ZLSKWORZWLLPSR-LBPRGKRZSA-N 1 1 198.354 2.380 10 0 AEAEMO CC[C@](C)([NH3+])CN1[C@@H](C)CCC[C@@H]1C 86808910 573634900 /nfs/dbraw/zinc/63/49/00/573634900.db2.gz WAMBGTJEFZNNPW-SRVKXCTJSA-N 1 1 198.354 2.377 10 0 AEAEMO COC(=[NH2+])[C@H]1CC[C@@H](C)C1 83789132 573634926 /nfs/dbraw/zinc/63/49/26/573634926.db2.gz ZJCKTOFTGBODMG-RQJHMYQMSA-N 1 1 141.214 2.046 10 0 AEAEMO CC[C@@H](N)[C@H]([N@@H+](C)CC)C(C)(C)C 43292076 573635031 /nfs/dbraw/zinc/63/50/31/573635031.db2.gz VCGDLWWKMUHNGS-ZJUUUORDSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@H]([NH3+])[C@H](N(C)CC)C(C)(C)C 43292076 573635038 /nfs/dbraw/zinc/63/50/38/573635038.db2.gz VCGDLWWKMUHNGS-ZJUUUORDSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@H](N)[C@@H]([N@H+](C)C1CC1)C(C)(C)C 43292104 573636672 /nfs/dbraw/zinc/63/66/72/573636672.db2.gz QVSPDIBQCBLOEF-GHMZBOCLSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@@H](N)[C@H]([N@H+](C)C1CC1)C(C)(C)C 43292100 573635909 /nfs/dbraw/zinc/63/59/09/573635909.db2.gz QVSPDIBQCBLOEF-MNOVXSKESA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@@H](N)[C@H]([N@@H+](C)C1CC1)C(C)(C)C 43292100 573635914 /nfs/dbraw/zinc/63/59/14/573635914.db2.gz QVSPDIBQCBLOEF-MNOVXSKESA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@@H](N)[C@@H]([N@@H+](C)C1CC1)C(C)(C)C 43292104 573636676 /nfs/dbraw/zinc/63/66/76/573636676.db2.gz QVSPDIBQCBLOEF-GHMZBOCLSA-N 1 1 198.354 2.233 10 0 AEAEMO C[NH2+]Cc1c[nH]c([C@H]2CC[C@H](C)C2)n1 83790695 573636007 /nfs/dbraw/zinc/63/60/07/573636007.db2.gz UNHWMUSRGMPXTQ-IUCAKERBSA-N 1 1 193.294 2.033 10 0 AEAEMO Cc1cc(N)nc([C@H]2CC[C@H](C)C2)[nH+]1 83789676 573636122 /nfs/dbraw/zinc/63/61/22/573636122.db2.gz MOJAFPCIDQCLKO-CBAPKCEASA-N 1 1 191.278 2.271 10 0 AEAEMO CC(C)[N@@H+](C)[C@H]([C@@H](C)N)C(C)(C)C 43291441 573636172 /nfs/dbraw/zinc/63/61/72/573636172.db2.gz QYYGWXUFZWQXIE-NXEZZACHSA-N 1 1 186.343 2.089 10 0 AEAEMO CC(C)N(C)[C@H]([C@@H](C)[NH3+])C(C)(C)C 43291441 573636173 /nfs/dbraw/zinc/63/61/73/573636173.db2.gz QYYGWXUFZWQXIE-NXEZZACHSA-N 1 1 186.343 2.089 10 0 AEAEMO CCC[C@@H](C)c1nnc([C@H](C)[NH2+]C)o1 50618521 573636330 /nfs/dbraw/zinc/63/63/30/573636330.db2.gz DELPEIYLJRLUSP-SFYZADRCSA-N 1 1 197.282 2.254 10 0 AEAEMO CC[NH2+][C@@H](C)c1nnc([C@@H](C)CC)o1 50618858 573636449 /nfs/dbraw/zinc/63/64/49/573636449.db2.gz VXXMCNRPPHXYDL-YUMQZZPRSA-N 1 1 197.282 2.254 10 0 AEAEMO CCC[C@@H](C)c1nnc([C@@H](C)[NH2+]C)o1 50618519 573636529 /nfs/dbraw/zinc/63/65/29/573636529.db2.gz DELPEIYLJRLUSP-HTQZYQBOSA-N 1 1 197.282 2.254 10 0 AEAEMO CC[C@](C)([C@H](C)N)[N@@H+](C)CCC1CC1 308651086 573637213 /nfs/dbraw/zinc/63/72/13/573637213.db2.gz KMBZZRZYDSWQKN-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@H](C)[N@@H+](C)C[C@@H](N)C1CC1 308652757 573637290 /nfs/dbraw/zinc/63/72/90/573637290.db2.gz LIBSZLNWWKQUQN-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@H](C)N(C)C[C@@H]([NH3+])C1CC1 308652757 573637293 /nfs/dbraw/zinc/63/72/93/573637293.db2.gz LIBSZLNWWKQUQN-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]1CC[C@H](C(=[NH2+])OC)C1 83802724 573637458 /nfs/dbraw/zinc/63/74/58/573637458.db2.gz FXRJVLURAPZNKT-YUMQZZPRSA-N 1 1 155.241 2.436 10 0 AEAEMO CC[C@@](C)([C@H](C)N)[N@@H+](C)CCC1CC1 308651088 573637573 /nfs/dbraw/zinc/63/75/73/573637573.db2.gz KMBZZRZYDSWQKN-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@@H](C)[N@@H+](C)C[C@H](N)C1CC1 308652759 573637633 /nfs/dbraw/zinc/63/76/33/573637633.db2.gz LIBSZLNWWKQUQN-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@@H](C)N(C)C[C@H]([NH3+])C1CC1 308652759 573637636 /nfs/dbraw/zinc/63/76/36/573637636.db2.gz LIBSZLNWWKQUQN-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO Cc1ccc(C)n1-c1ccc[nH+]c1N 238460831 573637844 /nfs/dbraw/zinc/63/78/44/573637844.db2.gz HVXFNFHJYURAHR-UHFFFAOYSA-N 1 1 187.246 2.071 10 0 AEAEMO CC[C@@H](C)OCn1c[nH+]c(C)c1C 393545620 573640239 /nfs/dbraw/zinc/64/02/39/573640239.db2.gz FPWGRZYQQKVWGU-MRVPVSSYSA-N 1 1 182.267 2.273 10 0 AEAEMO CC[N@@H+](CCCO)CC1(C)CCCC1 308651605 573640362 /nfs/dbraw/zinc/64/03/62/573640362.db2.gz KNLHUUVTNKKXGC-UHFFFAOYSA-N 1 1 199.338 2.271 10 0 AEAEMO CC[C@@H](N)[C@@H]([N@@H+](C)CC)C(C)(C)C 43292080 573640510 /nfs/dbraw/zinc/64/05/10/573640510.db2.gz VCGDLWWKMUHNGS-NXEZZACHSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@H]([NH3+])[C@@H](N(C)CC)C(C)(C)C 43292080 573640517 /nfs/dbraw/zinc/64/05/17/573640517.db2.gz VCGDLWWKMUHNGS-NXEZZACHSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](N)[C@@H]([N@@H+](C)CC)C(C)(C)C 43292078 573640565 /nfs/dbraw/zinc/64/05/65/573640565.db2.gz VCGDLWWKMUHNGS-VHSXEESVSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H]([NH3+])[C@@H](N(C)CC)C(C)(C)C 43292078 573640569 /nfs/dbraw/zinc/64/05/69/573640569.db2.gz VCGDLWWKMUHNGS-VHSXEESVSA-N 1 1 186.343 2.090 10 0 AEAEMO COC(=[NH2+])[C@H]1CCc2ccccc2C1 83802729 573640740 /nfs/dbraw/zinc/64/07/40/573640740.db2.gz IALONJVYCVRYLG-NSHDSACASA-N 1 1 189.258 2.415 10 0 AEAEMO C[N@@H+](C1CC1)[C@@H]1CCCC(C)(C)[C@@H]1O 86846312 573642942 /nfs/dbraw/zinc/64/29/42/573642942.db2.gz CJRBVAWUYRKCIH-GHMZBOCLSA-N 1 1 197.322 2.020 10 0 AEAEMO Cc1nc(C[NH2+]C(C)(C)C(C)C)c[nH]1 308654665 573643144 /nfs/dbraw/zinc/64/31/44/573643144.db2.gz NITIOSBZLSVLHY-UHFFFAOYSA-N 1 1 195.310 2.242 10 0 AEAEMO C[N@@H+](C1CC1)[C@@H]1CCCC(C)(C)[C@H]1O 86846307 573643385 /nfs/dbraw/zinc/64/33/85/573643385.db2.gz CJRBVAWUYRKCIH-MNOVXSKESA-N 1 1 197.322 2.020 10 0 AEAEMO Nc1cccc2ccc3[nH+]ccn3c12 259541282 573647238 /nfs/dbraw/zinc/64/72/38/573647238.db2.gz BVAPSRSVFZXBBS-UHFFFAOYSA-N 1 1 183.214 2.070 10 0 AEAEMO CC[N@@H+](C)C[C@H]1CCCC(C)(C)C1=O 86850737 573647686 /nfs/dbraw/zinc/64/76/86/573647686.db2.gz MFGXJYFSXQYDCT-SNVBAGLBSA-N 1 1 197.322 2.334 10 0 AEAEMO C[C@H](N)[C@@H](C)[NH2+]CCC1=CCCCC1 308656713 573648677 /nfs/dbraw/zinc/64/86/77/573648677.db2.gz NVOVFBMSKOCXMS-WDEREUQCSA-N 1 1 196.338 2.202 10 0 AEAEMO C[C@@H](N)[C@@H](C)[NH2+]CCC1=CCCCC1 308656708 573649304 /nfs/dbraw/zinc/64/93/04/573649304.db2.gz NVOVFBMSKOCXMS-GHMZBOCLSA-N 1 1 196.338 2.202 10 0 AEAEMO C[C@H]([NH2+]CCC1=CCCCC1)[C@@H](C)N 308656710 573651737 /nfs/dbraw/zinc/65/17/37/573651737.db2.gz NVOVFBMSKOCXMS-MNOVXSKESA-N 1 1 196.338 2.202 10 0 AEAEMO C[C@H]1C[C@@H]2Nc3ccccc3C[N@H+]2C1 238465833 573651761 /nfs/dbraw/zinc/65/17/61/573651761.db2.gz FQKZSMXASYIHKA-JOYOIKCWSA-N 1 1 188.274 2.280 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+]CCC1=CCCCC1 308656712 573652116 /nfs/dbraw/zinc/65/21/16/573652116.db2.gz NVOVFBMSKOCXMS-QWRGUYRKSA-N 1 1 196.338 2.202 10 0 AEAEMO C/C=C\C[N@H+]1CC[C@H](C(F)F)C1 388473564 573652199 /nfs/dbraw/zinc/65/21/99/573652199.db2.gz PHDZZSQSNVUBJR-KZUAUGPASA-N 1 1 175.222 2.150 10 0 AEAEMO CC[N@@H+](C(C)C)[C@H]1CCC(C)(C)[C@@H]1N 86856132 573654855 /nfs/dbraw/zinc/65/48/55/573654855.db2.gz JGZVZNRKKSDRTO-WDEREUQCSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[N@H+]1CC=C(CC(F)(F)F)C1 258081797 573655081 /nfs/dbraw/zinc/65/50/81/573655081.db2.gz MWGCRWAQGKZLRA-UHFFFAOYSA-N 1 1 179.185 2.201 10 0 AEAEMO CNc1[nH]c(CC2CCCC2)c(C)[nH+]1 258844414 573655085 /nfs/dbraw/zinc/65/50/85/573655085.db2.gz QBAJCYLWXTVVHH-UHFFFAOYSA-N 1 1 193.294 2.493 10 0 AEAEMO C/C=C\C[N@H+]1CC[C@@H](C(F)F)C1 388473565 573655213 /nfs/dbraw/zinc/65/52/13/573655213.db2.gz PHDZZSQSNVUBJR-YAJNLLPGSA-N 1 1 175.222 2.150 10 0 AEAEMO C[N@@H+](C1CCCCC1)C(C)(C)CCO 258844089 573655507 /nfs/dbraw/zinc/65/55/07/573655507.db2.gz NCYMJAFWWCKYFX-UHFFFAOYSA-N 1 1 199.338 2.412 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@H]1CCC(C)(C)[C@@H]1N 86856186 573657254 /nfs/dbraw/zinc/65/72/54/573657254.db2.gz WKHZPGANKZOWLG-HBNTYKKESA-N 1 1 198.354 2.233 10 0 AEAEMO c1ccc(-c2[nH+]cc3n2CCCN3)cc1 258845430 573657764 /nfs/dbraw/zinc/65/77/64/573657764.db2.gz VRDSMAVMVGJQIP-UHFFFAOYSA-N 1 1 199.257 2.366 10 0 AEAEMO CC(C)C[N@@H+](C)[C@H]1CCC(C)(C)[C@@H]1N 86856176 573657813 /nfs/dbraw/zinc/65/78/13/573657813.db2.gz ZKHHBVOWENYMJJ-WDEREUQCSA-N 1 1 198.354 2.090 10 0 AEAEMO Cc1cc(N)c(-c2ccccc2)n[nH+]1 238471966 573658099 /nfs/dbraw/zinc/65/80/99/573658099.db2.gz JBSPUDIMGLJVBA-UHFFFAOYSA-N 1 1 185.230 2.034 10 0 AEAEMO CC[NH+](CC)[C@@H](C)c1ccc(CN)o1 257842233 573658271 /nfs/dbraw/zinc/65/82/71/573658271.db2.gz MQWNVUQLDDUHTR-VIFPVBQESA-N 1 1 196.294 2.141 10 0 AEAEMO FCC1=CC[N@@H+](Cc2ccccc2)C1 258081784 573658518 /nfs/dbraw/zinc/65/85/18/573658518.db2.gz MVTKNXLNBYEPGK-UHFFFAOYSA-N 1 1 191.249 2.398 10 0 AEAEMO CC(C)C[N@@H+](C)[C@@H]1CCC(C)(C)[C@@H]1O 86866197 573658631 /nfs/dbraw/zinc/65/86/31/573658631.db2.gz UMWWVAHTZDEVRN-GHMZBOCLSA-N 1 1 199.338 2.124 10 0 AEAEMO CCCC[N@H+]1CC[C@@H](O)CC1(C)C 258853899 573658666 /nfs/dbraw/zinc/65/86/66/573658666.db2.gz QTXQJMKHXVCHJU-SNVBAGLBSA-N 1 1 185.311 2.022 10 0 AEAEMO CC(C)[N@@H+](C)[C@]1(CN)CCCC1(C)C 86865508 573658735 /nfs/dbraw/zinc/65/87/35/573658735.db2.gz IZFYBLIETFNBJC-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](C1CC1)[C@@H]1CCC(C)(C)[C@@H]1O 86866175 573662769 /nfs/dbraw/zinc/66/27/69/573662769.db2.gz KILPIRNYZQGTRC-GHMZBOCLSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@@H]1CCC[N@H+]1[C@@H]1CCC(C)(C)[C@@H]1O 86866075 573662879 /nfs/dbraw/zinc/66/28/79/573662879.db2.gz WNBOBGBANJLNIC-GMTAPVOTSA-N 1 1 197.322 2.020 10 0 AEAEMO CC[C@H](C)[C@H]([NH3+])CN(C)CCC1CC1 308664277 573663404 /nfs/dbraw/zinc/66/34/04/573663404.db2.gz ROBXMCVCVIXINM-CMPLNLGQSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)[C@H](N)C[N@H+](C)CCC1CC1 308664277 573663406 /nfs/dbraw/zinc/66/34/06/573663406.db2.gz ROBXMCVCVIXINM-CMPLNLGQSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)[C@H](N)C[N@@H+](C)CCC1CC1 308664277 573663408 /nfs/dbraw/zinc/66/34/08/573663408.db2.gz ROBXMCVCVIXINM-CMPLNLGQSA-N 1 1 198.354 2.092 10 0 AEAEMO Cc1[nH+]cn(-c2cccc(N)c2)c1C 83824613 573665193 /nfs/dbraw/zinc/66/51/93/573665193.db2.gz JEWSJUWNZNBITG-UHFFFAOYSA-N 1 1 187.246 2.071 10 0 AEAEMO CC[C@H](C)[C@@H](O)C[N@@H+](C)CCC1CC1 308664089 573665461 /nfs/dbraw/zinc/66/54/61/573665461.db2.gz RLPAPMOZDMDUCN-JQWIXIFHSA-N 1 1 199.338 2.125 10 0 AEAEMO CCCC(C)(C)CNC[C@@H]1CCC[NH2+]1 258861355 573665607 /nfs/dbraw/zinc/66/56/07/573665607.db2.gz ISYVOWUOFOOUTE-NSHDSACASA-N 1 1 198.354 2.154 10 0 AEAEMO Cc1[nH+]c2c(C)cccn2c1C 107875794 573667165 /nfs/dbraw/zinc/66/71/65/573667165.db2.gz ROORIILXCIPWAC-UHFFFAOYSA-N 1 1 160.220 2.260 10 0 AEAEMO CC[N@H+]1CCCC[C@@H]1CC1(O)CCC1 258078710 573675568 /nfs/dbraw/zinc/67/55/68/573675568.db2.gz QVHQENYXUPSWEV-LLVKDONJSA-N 1 1 197.322 2.166 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@H]1/C=C\CCO 258078585 573676178 /nfs/dbraw/zinc/67/61/78/573676178.db2.gz FSTPBAOUGCLYMT-LDJOOVGUSA-N 1 1 197.322 2.188 10 0 AEAEMO CC(=O)[C@@H]1CCC[N@@H+](CC2CCC2)C1 83839047 573675912 /nfs/dbraw/zinc/67/59/12/573675912.db2.gz JRQLTAZHWIKWLF-GFCCVEGCSA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@H]1C[C@H]2Nc3ccccc3C[N@H+]2C1 238467761 573676083 /nfs/dbraw/zinc/67/60/83/573676083.db2.gz FQKZSMXASYIHKA-CABZTGNLSA-N 1 1 188.274 2.280 10 0 AEAEMO CC1(C)C[NH2+]c2ccc(N)cc2OC1 257846331 573678682 /nfs/dbraw/zinc/67/86/82/573678682.db2.gz AKAXEPKEQBOESE-UHFFFAOYSA-N 1 1 192.262 2.099 10 0 AEAEMO CCC(CC)[C@H](C)[NH2+][C@H](C)[C@@H](C)N 393548067 573678789 /nfs/dbraw/zinc/67/87/89/573678789.db2.gz KKIJFVRBLVOKGU-BBBLOLIVSA-N 1 1 186.343 2.136 10 0 AEAEMO CC[C@H](CO)C[N@@H+](C)C1CCCCC1 258877202 573678927 /nfs/dbraw/zinc/67/89/27/573678927.db2.gz BTCATJGSBCBNRA-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CCC(CC)[C@H](C)[NH2+][C@@H](C)[C@H](C)N 393548068 573681576 /nfs/dbraw/zinc/68/15/76/573681576.db2.gz KKIJFVRBLVOKGU-GUBZILKMSA-N 1 1 186.343 2.136 10 0 AEAEMO CC(=O)[C@@H]1CCCC[N@H+]1CC1CCC1 83839053 573681852 /nfs/dbraw/zinc/68/18/52/573681852.db2.gz AFKPDWWHKVHDNJ-LBPRGKRZSA-N 1 1 195.306 2.230 10 0 AEAEMO FCCCC[N@@H+]1CCC[C@H]1C(F)F 393548531 573685471 /nfs/dbraw/zinc/68/54/71/573685471.db2.gz LLCUYAKTGRGIHA-QMMMGPOBSA-N 1 1 195.228 2.466 10 0 AEAEMO FCCCC[N@H+]1CCC[C@H]1C(F)F 393548531 573685474 /nfs/dbraw/zinc/68/54/74/573685474.db2.gz LLCUYAKTGRGIHA-QMMMGPOBSA-N 1 1 195.228 2.466 10 0 AEAEMO CC[C@@H](C)[C@H](C)[N@H+]1CCNCC1(C)C 83842332 573685503 /nfs/dbraw/zinc/68/55/03/573685503.db2.gz LIWWWIBITNNNPJ-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@H](O)CCCC[N@@H+](C)CCC1CC1 308667995 573685546 /nfs/dbraw/zinc/68/55/46/573685546.db2.gz UFKSUQLSFCVHSK-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H](C)[C@@H](C)[N@H+]1CCNCC1(C)C 83842331 573685865 /nfs/dbraw/zinc/68/58/65/573685865.db2.gz LIWWWIBITNNNPJ-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@@H+](C)[C@H](CC)[C@H]1CCOC1 308421246 573685868 /nfs/dbraw/zinc/68/58/68/573685868.db2.gz OVDAGZWISKLHLB-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@H](C(C)C)[N@H+]1CCNCC1(C)C 83842364 573686050 /nfs/dbraw/zinc/68/60/50/573686050.db2.gz XOAIGTFSQJNNQV-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@H]([N@@H+](C)CC(C)(C)CO)C1(C)CC1 308421298 573687907 /nfs/dbraw/zinc/68/79/07/573687907.db2.gz NXMFUNFQQZUKGL-JTQLQIEISA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H](C)[C@@H](C)[N@H+]1CCNCC1(C)C 83842330 573687494 /nfs/dbraw/zinc/68/74/94/573687494.db2.gz LIWWWIBITNNNPJ-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO C[NH2+][C@@H](c1ccc(C)c(C)c1)N(C)C 259557395 573687672 /nfs/dbraw/zinc/68/76/72/573687672.db2.gz OOJPNZVCLJGUCZ-GFCCVEGCSA-N 1 1 192.306 2.083 10 0 AEAEMO C[NH2+][C@H]1CCN(CCC(C)C)C1(C)C 259159623 573687804 /nfs/dbraw/zinc/68/78/04/573687804.db2.gz ACKOGQAYRZPVFN-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H]([N@@H+](C)CC(C)(C)CO)C1(C)CC1 308421299 573690652 /nfs/dbraw/zinc/69/06/52/573690652.db2.gz NXMFUNFQQZUKGL-SNVBAGLBSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@](C)(CO)C[N@@H+](C)CCC1CC1 308678536 573690775 /nfs/dbraw/zinc/69/07/75/573690775.db2.gz WYTMWDNGXXCRFD-GFCCVEGCSA-N 1 1 199.338 2.127 10 0 AEAEMO CCC[N@@H+](C)[C@@H](CC)[C@@H]1CCOC1 308421234 573690834 /nfs/dbraw/zinc/69/08/34/573690834.db2.gz OVDAGZWISKLHLB-MNOVXSKESA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@](C)(C(C)=O)[N@@H+](C)CCC1CC1 308674672 573690924 /nfs/dbraw/zinc/69/09/24/573690924.db2.gz VVGJYYXMECPCGL-GFCCVEGCSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(=O)CCCC[N@H+](C)CCC1CC1 308676984 573691111 /nfs/dbraw/zinc/69/11/11/573691111.db2.gz WLIVFPBFYXLWGP-UHFFFAOYSA-N 1 1 197.322 2.478 10 0 AEAEMO CCCCC[N@H+]1CCC(C)(C)[C@H](O)C1 259164034 573691138 /nfs/dbraw/zinc/69/11/38/573691138.db2.gz GFWCEKOLPOTDDQ-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)c1nc(C[NH2+]C(C)(C)C)no1 308675805 573692426 /nfs/dbraw/zinc/69/24/26/573692426.db2.gz WCTAVSAXYFFIAV-UHFFFAOYSA-N 1 1 197.282 2.081 10 0 AEAEMO CCCC[N@H+]1CC[C@H](CCO)C1(C)C 259162127 573692217 /nfs/dbraw/zinc/69/22/17/573692217.db2.gz AEILLERNXMJXES-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CCCc1cn2cc(OC)ccc2[nH+]1 258085466 573692991 /nfs/dbraw/zinc/69/29/91/573692991.db2.gz XAADFMHUOUZHAY-UHFFFAOYSA-N 1 1 190.246 2.295 10 0 AEAEMO CCCC[N@H+]1CC[C@@H](CCO)C1(C)C 259162129 573693491 /nfs/dbraw/zinc/69/34/91/573693491.db2.gz AEILLERNXMJXES-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@H](F)C[N@H+]1CC[C@@H](C(F)F)C1 308419103 573694798 /nfs/dbraw/zinc/69/47/98/573694798.db2.gz OCJMRNXLZSSRAV-HTQZYQBOSA-N 1 1 195.228 2.322 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC(C)(C)O)C1CC1 393551218 573696796 /nfs/dbraw/zinc/69/67/96/573696796.db2.gz AQCVPLBUWBMAJM-SECBINFHSA-N 1 1 185.311 2.020 10 0 AEAEMO Cc1cc(C[C@@H](C)[C@H](C)O)cc(C)[nH+]1 238481921 573696278 /nfs/dbraw/zinc/69/62/78/573696278.db2.gz CWQSXSJVQLOSHN-KCJUWKMLSA-N 1 1 193.290 2.258 10 0 AEAEMO Cc1ccc(Cl)c2c[nH+]cn12 238483877 573703862 /nfs/dbraw/zinc/70/38/62/573703862.db2.gz NDKOYGUZFWJQRA-UHFFFAOYSA-N 1 1 166.611 2.296 10 0 AEAEMO C1CCCC[N@H+]2CCCN[C@@H]2CCC1 238013586 573705941 /nfs/dbraw/zinc/70/59/41/573705941.db2.gz UKWIQUQIGKDHFI-LBPRGKRZSA-N 1 1 196.338 2.352 10 0 AEAEMO CC[N@@H+](C[C@H](O)C(C)(C)CC)C1CC1 308689098 573706024 /nfs/dbraw/zinc/70/60/24/573706024.db2.gz QUQINKNSHQBEAF-NSHDSACASA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[C@H](CO)[N@@H+](C)C1CCCCC1 258889040 573706327 /nfs/dbraw/zinc/70/63/27/573706327.db2.gz QTVLUAMHOLMJTI-LBPRGKRZSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H]1CCCCC[C@@H]1[N@H+]1CCC(=O)C1 83949358 573710722 /nfs/dbraw/zinc/71/07/22/573710722.db2.gz RBRBPZPJKQFWIB-JQWIXIFHSA-N 1 1 195.306 2.230 10 0 AEAEMO Cc1c[nH+]c2cc(N)c(C)cc2c1 238491000 573710959 /nfs/dbraw/zinc/71/09/59/573710959.db2.gz ANBZLNAGBRVQII-UHFFFAOYSA-N 1 1 172.231 2.434 10 0 AEAEMO CC1(C)CCC[C@]2(CC1)COC(N)=[NH+]2 83952607 573713649 /nfs/dbraw/zinc/71/36/49/573713649.db2.gz XKQVSRZXXLNJPX-NSHDSACASA-N 1 1 196.294 2.060 10 0 AEAEMO CCCC1CCC2(CC1)COC(N)=[NH+]2 83964609 573713659 /nfs/dbraw/zinc/71/36/59/573713659.db2.gz NCESFIJEOBGBGL-UHFFFAOYSA-N 1 1 196.294 2.060 10 0 AEAEMO CCCC[C@H](C)[N@@H+](C)C[C@@H](O)C1CC1 308693024 573713735 /nfs/dbraw/zinc/71/37/35/573713735.db2.gz RZUZVDNVTOAYPE-CMPLNLGQSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H]1CCC[C@@]2(CC1)COC(N)=[NH+]2 83964765 573713902 /nfs/dbraw/zinc/71/39/02/573713902.db2.gz VYGABPIYBNIADF-MWLCHTKSSA-N 1 1 196.294 2.060 10 0 AEAEMO Cc1c(F)cccc1[C@@H]([NH3+])C(F)F 238493584 573719373 /nfs/dbraw/zinc/71/93/73/573719373.db2.gz GBHKFHFNCLVADX-MRVPVSSYSA-N 1 1 189.180 2.399 10 0 AEAEMO c1c[nH+]c2c(c1)[C@H]1CCC[C@H]1N2 238043365 573720780 /nfs/dbraw/zinc/72/07/80/573720780.db2.gz ZWTJMBJQJBZQJB-VXNVDRBHSA-N 1 1 160.220 2.143 10 0 AEAEMO Cc1coc(C(=O)C(C)(C)[NH+](C)C)c1 716127690 573727731 /nfs/dbraw/zinc/72/77/31/573727731.db2.gz XNVJFQSXPHTJHY-UHFFFAOYSA-N 1 1 195.262 2.111 10 0 AEAEMO C[NH2+]CNc1cc(Cl)ccc1F 258893956 573728279 /nfs/dbraw/zinc/72/82/79/573728279.db2.gz NHSDBPZLMBYYQH-UHFFFAOYSA-N 1 1 188.633 2.068 10 0 AEAEMO Oc1cccn2c(C3CCC3)[nH+]cc12 258110617 573731043 /nfs/dbraw/zinc/73/10/43/573731043.db2.gz GDPVGNFZTWVLMD-UHFFFAOYSA-N 1 1 188.230 2.307 10 0 AEAEMO CCC(C)(C)[C@@H](CN1CCCC1)[NH2+]C 308696413 573736569 /nfs/dbraw/zinc/73/65/69/573736569.db2.gz SYWCCARJRLNZPX-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO Cc1cc(C)c2[nH+]ccn2c1C 238500756 573744372 /nfs/dbraw/zinc/74/43/72/573744372.db2.gz YSXUTHDCFPLHQI-UHFFFAOYSA-N 1 1 160.220 2.260 10 0 AEAEMO CC(C)[C@@]1(CCN(C)C)CCCC[NH2+]1 258102034 573742445 /nfs/dbraw/zinc/74/24/45/573742445.db2.gz XXVHQLQOOSYUFD-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[C@H](C)[N@@H+](C)[C@H]1CCC[C@H]1N 308702498 573745739 /nfs/dbraw/zinc/74/57/39/573745739.db2.gz VJYZJOWIWBLVFA-TUAOUCFPSA-N 1 1 198.354 2.377 10 0 AEAEMO CCCC[C@H](C)N(C)[C@H]1CCC[C@H]1[NH3+] 308702498 573745747 /nfs/dbraw/zinc/74/57/47/573745747.db2.gz VJYZJOWIWBLVFA-TUAOUCFPSA-N 1 1 198.354 2.377 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+]1C[C@@H](N)C[C@@H](C)C1 87039928 573747309 /nfs/dbraw/zinc/74/73/09/573747309.db2.gz KNZIPLVQIFIXBV-WOPDTQHZSA-N 1 1 198.354 2.090 10 0 AEAEMO CN[C@H](C)[C@H](C)[N@@H+]1C[C@H](C)CC[C@@H]1C 84046404 573747351 /nfs/dbraw/zinc/74/73/51/573747351.db2.gz VVPJAZGRRCOROJ-KXNHARMFSA-N 1 1 198.354 2.103 10 0 AEAEMO CN[C@H](C)[C@H](C)[N@H+]1C[C@H](C)CC[C@@H]1C 84046404 573747363 /nfs/dbraw/zinc/74/73/63/573747363.db2.gz VVPJAZGRRCOROJ-KXNHARMFSA-N 1 1 198.354 2.103 10 0 AEAEMO CNC(C)(C)C[NH2+]C[C@@H]1CC[C@@H](C)C1 308701405 573747417 /nfs/dbraw/zinc/74/74/17/573747417.db2.gz VCNVZGFBGKWMNC-GHMZBOCLSA-N 1 1 198.354 2.010 10 0 AEAEMO CC(C)(CO)C[N@H+]1CCCC(C)(C)C1 69794048 573747468 /nfs/dbraw/zinc/74/74/68/573747468.db2.gz NKFYIFDSGAOFEP-UHFFFAOYSA-N 1 1 199.338 2.127 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1C[C@@H](C)C[C@@H](N)C1 87039935 573747638 /nfs/dbraw/zinc/74/76/38/573747638.db2.gz KNZIPLVQIFIXBV-SDDRHHMPSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H]1C[C@@H](N)C[N@@H+](CCC(C)(C)C)C1 87040103 573747737 /nfs/dbraw/zinc/74/77/37/573747737.db2.gz RSSNJIKYQBYMQM-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1C[C@H](C)C[C@@H](N)C1 87039933 573750004 /nfs/dbraw/zinc/75/00/04/573750004.db2.gz KNZIPLVQIFIXBV-GRYCIOLGSA-N 1 1 198.354 2.090 10 0 AEAEMO CCCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1N 258907836 573750053 /nfs/dbraw/zinc/75/00/53/573750053.db2.gz HYNNYWQSCKDCAI-GHMZBOCLSA-N 1 1 198.354 2.282 10 0 AEAEMO CN[C@H](C)[C@H](C)[N@@H+]1C[C@@H](C)CC[C@H]1C 84046416 573750419 /nfs/dbraw/zinc/75/04/19/573750419.db2.gz VVPJAZGRRCOROJ-QCNOEVLYSA-N 1 1 198.354 2.103 10 0 AEAEMO CN[C@H](C)[C@H](C)[N@H+]1C[C@@H](C)CC[C@H]1C 84046416 573750424 /nfs/dbraw/zinc/75/04/24/573750424.db2.gz VVPJAZGRRCOROJ-QCNOEVLYSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(=O)C[N@@H+](C)CCC1CCCC1 258908762 573750536 /nfs/dbraw/zinc/75/05/36/573750536.db2.gz LTKZMYBGRHNKIT-UHFFFAOYSA-N 1 1 183.295 2.088 10 0 AEAEMO CC[C@@H](N)C[NH2+][C@]1(C)CCCC[C@H]1C 308705112 573753310 /nfs/dbraw/zinc/75/33/10/573753310.db2.gz YRGJQHVRJMBVLK-IJLUTSLNSA-N 1 1 198.354 2.282 10 0 AEAEMO C[C@H]1CCCC[N@H+]1C1CCC(O)CC1 108308542 573753412 /nfs/dbraw/zinc/75/34/12/573753412.db2.gz ARNHODPXEFRZHU-UNXYVOJBSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[C@H]1CC[N@H+](C2CCC(O)CC2)C1 108308536 573753549 /nfs/dbraw/zinc/75/35/49/573753549.db2.gz UNTACBWITBOPQR-UNXYVOJBSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@H+]1C[C@H](C)CC[C@@H]1C 84052257 573753619 /nfs/dbraw/zinc/75/36/19/573753619.db2.gz MYORWMUKPHKHAO-RHYQMDGZSA-N 1 1 199.338 2.266 10 0 AEAEMO CCCC(C)(C)C[NH2+][C@H]1CCC[C@H]1N 258907840 573753690 /nfs/dbraw/zinc/75/36/90/573753690.db2.gz HYNNYWQSCKDCAI-MNOVXSKESA-N 1 1 198.354 2.282 10 0 AEAEMO C/C=C/c1nnc([C@@H]([NH3+])C(C)(C)C)o1 238068413 573753743 /nfs/dbraw/zinc/75/37/43/573753743.db2.gz CBWHAIWASMEJSD-HQZHTGGTSA-N 1 1 195.266 2.149 10 0 AEAEMO CC[C@@H](N)C[NH2+][C@]1(C)CCCC[C@@H]1C 308705113 573753990 /nfs/dbraw/zinc/75/39/90/573753990.db2.gz YRGJQHVRJMBVLK-QJPTWQEYSA-N 1 1 198.354 2.282 10 0 AEAEMO CC(C)C[N@H+]1CCCCNC(C)(C)C1 259184435 573760183 /nfs/dbraw/zinc/76/01/83/573760183.db2.gz BFYJTQKISGOZKK-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](C[NH3+])C[N@@H+](C)CCC1CCC1 258915459 573760249 /nfs/dbraw/zinc/76/02/49/573760249.db2.gz GJCHCWIWPWCQGF-NSHDSACASA-N 1 1 198.354 2.093 10 0 AEAEMO CCCC[N@H+]1C[C@@H](CO)CCC1(C)C 259184700 573760298 /nfs/dbraw/zinc/76/02/98/573760298.db2.gz BIWSOSQLLLOODP-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO C[N@@H+](CCC1CCCC1)C(C)(C)CN 258909459 573760317 /nfs/dbraw/zinc/76/03/17/573760317.db2.gz SPYKAIVILRHPGJ-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CN(CCC1CCCC1)C(C)(C)C[NH3+] 258909459 573760320 /nfs/dbraw/zinc/76/03/20/573760320.db2.gz SPYKAIVILRHPGJ-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H](C[NH3+])C[N@@H+](C)CCC1CCC1 258915457 573760351 /nfs/dbraw/zinc/76/03/51/573760351.db2.gz GJCHCWIWPWCQGF-LLVKDONJSA-N 1 1 198.354 2.093 10 0 AEAEMO Nc1ccc(N[C@@H]2CC=CCC2)c[nH+]1 84066357 573760434 /nfs/dbraw/zinc/76/04/34/573760434.db2.gz PKTMBPZDBXHVLP-SECBINFHSA-N 1 1 189.262 2.184 10 0 AEAEMO CC(C)c1[nH]c2c([nH+]1)CCCC2 76090579 573760510 /nfs/dbraw/zinc/76/05/10/573760510.db2.gz XWAWZYQWQNFHCH-UHFFFAOYSA-N 1 1 164.252 2.412 10 0 AEAEMO Nc1ccc(N[C@H]2CC=CCC2)[nH+]c1 84066246 573764350 /nfs/dbraw/zinc/76/43/50/573764350.db2.gz QEMMSEKRGOEADB-JTQLQIEISA-N 1 1 189.262 2.184 10 0 AEAEMO CCCC[N@H+]1C[C@H](CO)CCC1(C)C 259184696 573763857 /nfs/dbraw/zinc/76/38/57/573763857.db2.gz BIWSOSQLLLOODP-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO C[C@H]1CC(=O)CC[N@H+]1[C@H]1CC=CCC1 84068051 573764038 /nfs/dbraw/zinc/76/40/38/573764038.db2.gz LYFOYMZHGCAKMZ-QWRGUYRKSA-N 1 1 193.290 2.149 10 0 AEAEMO CC[N@H+]1CC[C@@H](CC2(O)CCCC2)C1 257872572 573767232 /nfs/dbraw/zinc/76/72/32/573767232.db2.gz AICFSVQLSBACKB-NSHDSACASA-N 1 1 197.322 2.023 10 0 AEAEMO CCC(F)(F)[C@H]1CCC[N@@H+](C)C1 258927997 573767444 /nfs/dbraw/zinc/76/74/44/573767444.db2.gz AFSXEKMOJCGHBE-QMMMGPOBSA-N 1 1 177.238 2.374 10 0 AEAEMO CCC(F)(F)[C@@H]1CCC[N@@H+](C)C1 258927996 573767881 /nfs/dbraw/zinc/76/78/81/573767881.db2.gz AFSXEKMOJCGHBE-MRVPVSSYSA-N 1 1 177.238 2.374 10 0 AEAEMO CSCCCCc1ccc[nH+]c1N 131140244 573770486 /nfs/dbraw/zinc/77/04/86/573770486.db2.gz RYGOIKBLHBYAQO-UHFFFAOYSA-N 1 1 196.319 2.350 10 0 AEAEMO CC[N@H+]1CC[C@H](CC2(O)CCCC2)C1 257872571 573770843 /nfs/dbraw/zinc/77/08/43/573770843.db2.gz AICFSVQLSBACKB-LLVKDONJSA-N 1 1 197.322 2.023 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H](CCO)C1(C)C 259567257 573772460 /nfs/dbraw/zinc/77/24/60/573772460.db2.gz YKCNPNIWNOSOTP-LLVKDONJSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(=O)CC[N@H+](C)CCC(C)(C)C 258934295 573772714 /nfs/dbraw/zinc/77/27/14/573772714.db2.gz PLTDQOKDTBYWOI-UHFFFAOYSA-N 1 1 185.311 2.334 10 0 AEAEMO CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CCCC1=O 84126640 573772875 /nfs/dbraw/zinc/77/28/75/573772875.db2.gz IAABFYHDKIQVMK-WDEREUQCSA-N 1 1 195.306 2.228 10 0 AEAEMO C[C@H]([NH3+])[C@@H](N(C)C1CCC1)C(C)(C)C 127158090 573773018 /nfs/dbraw/zinc/77/30/18/573773018.db2.gz NXJPRYYDPYSOLN-GXSJLCMTSA-N 1 1 198.354 2.233 10 0 AEAEMO C[NH2+]CC[C@H](C)[N@H+]1CCC[C@H]1C(C)C 84127822 573773218 /nfs/dbraw/zinc/77/32/18/573773218.db2.gz KBAKXXGJCQIJRL-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@H](CCO)C1(C)C 259178897 573774210 /nfs/dbraw/zinc/77/42/10/573774210.db2.gz AZTLWDBAEQUMRW-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[N@@H+](C)CC[C@H]1[NH2+]CCC[C@H]1C 404898747 573774431 /nfs/dbraw/zinc/77/44/31/573774431.db2.gz BUAFLPJHYIDHPX-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](C)[N@H+]1CC[C@@H](CCO)C1(C)C 259178890 573774637 /nfs/dbraw/zinc/77/46/37/573774637.db2.gz AZTLWDBAEQUMRW-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)CC[NH2+][C@@H](C)CNC(C)C 162353990 573774849 /nfs/dbraw/zinc/77/48/49/573774849.db2.gz QPVXCJDQCWLDGX-NSHDSACASA-N 1 1 186.343 2.009 10 0 AEAEMO C[C@@H]([NH3+])[C@@H](N(C)C1CCC1)C(C)(C)C 127158285 573774852 /nfs/dbraw/zinc/77/48/52/573774852.db2.gz NXJPRYYDPYSOLN-MWLCHTKSSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)CCN[C@@H](C)C[NH2+]C(C)C 162353990 573774857 /nfs/dbraw/zinc/77/48/57/573774857.db2.gz QPVXCJDQCWLDGX-NSHDSACASA-N 1 1 186.343 2.009 10 0 AEAEMO CC[C@@H](C[N@@H+]1CCC[C@@H]1C(C)C)NC 84125766 573776420 /nfs/dbraw/zinc/77/64/20/573776420.db2.gz AAVSLZRAZIVRJC-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[C@H]1CCC[N@H+]1[C@@H]1CCCC1=O 84126643 573776713 /nfs/dbraw/zinc/77/67/13/573776713.db2.gz IAABFYHDKIQVMK-GHMZBOCLSA-N 1 1 195.306 2.228 10 0 AEAEMO [NH3+]C1(c2nc(C3CCCC3)co2)CC1 257876243 573776863 /nfs/dbraw/zinc/77/68/63/573776863.db2.gz UNMVWCSKYNRDIL-UHFFFAOYSA-N 1 1 192.262 2.280 10 0 AEAEMO CC(C)CC[N@H+]1CCC(=O)C(C)(C)C1 258935403 573778320 /nfs/dbraw/zinc/77/83/20/573778320.db2.gz XSKDCYLNDUOVIK-UHFFFAOYSA-N 1 1 197.322 2.334 10 0 AEAEMO CCC(CC)(C[NH2+]CC(F)F)OC 393562642 573778518 /nfs/dbraw/zinc/77/85/18/573778518.db2.gz AICJFPZVIADUKI-UHFFFAOYSA-N 1 1 195.253 2.046 10 0 AEAEMO C[C@H]1SC(=[NH2+])Nc2ccccc21 238512778 573779013 /nfs/dbraw/zinc/77/90/13/573779013.db2.gz OBJKBAIJJMUPHZ-ZCFIWIBFSA-N 1 1 178.260 2.441 10 0 AEAEMO CC1=C2CCC[N@@H+]2C[C@H]1C 100229077 573781321 /nfs/dbraw/zinc/78/13/21/573781321.db2.gz WSLPBTYNOBZWIC-SSDOTTSWSA-N 1 1 137.226 2.006 10 0 AEAEMO CNC(C)(C)C[NH2+]CCC(C)(C)C 258947221 573783496 /nfs/dbraw/zinc/78/34/96/573783496.db2.gz UJVVMXAIAMNMDG-UHFFFAOYSA-N 1 1 186.343 2.010 10 0 AEAEMO CCCC(=O)C[N@@H+](C)CCC1CC1 308431559 573783521 /nfs/dbraw/zinc/78/35/21/573783521.db2.gz ZVVLWLCSISXRFY-UHFFFAOYSA-N 1 1 183.295 2.088 10 0 AEAEMO C[C@@H]([NH3+])c1ccc(O)c(Cl)c1F 108372145 573783811 /nfs/dbraw/zinc/78/38/11/573783811.db2.gz NTXZLBIPWWVWRD-SCSAIBSYSA-N 1 1 189.617 2.204 10 0 AEAEMO C[N@H+]1CCC[C@@H](C(F)(F)C2CC2)C1 258942008 573787061 /nfs/dbraw/zinc/78/70/61/573787061.db2.gz CPZOUQCKPJNKEO-SECBINFHSA-N 1 1 189.249 2.374 10 0 AEAEMO Cc1cc(N)c[nH+]c1Nc1cc[nH]c1 258946557 573786482 /nfs/dbraw/zinc/78/64/82/573786482.db2.gz YXYMARLXGCGMSO-UHFFFAOYSA-N 1 1 188.234 2.044 10 0 AEAEMO C[C@H]([NH3+])c1ccc(O)c(Cl)c1F 108372141 573786569 /nfs/dbraw/zinc/78/65/69/573786569.db2.gz NTXZLBIPWWVWRD-BYPYZUCNSA-N 1 1 189.617 2.204 10 0 AEAEMO CCc1cc(N)nc(CCC(C)C)[nH+]1 50846388 573786751 /nfs/dbraw/zinc/78/67/51/573786751.db2.gz DXTVDKQUYFZWPF-UHFFFAOYSA-N 1 1 193.294 2.210 10 0 AEAEMO CCC[C@H](C)[C@@H](CN)[N@@H+](C)C1CCC1 127215352 573792341 /nfs/dbraw/zinc/79/23/41/573792341.db2.gz MPVMAOMOGQIPPP-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO C[N@H+]1CCC[C@@H]2CCC=C21 100307903 573792462 /nfs/dbraw/zinc/79/24/62/573792462.db2.gz IQJQIUOVOYZJMB-QMMMGPOBSA-N 1 1 137.226 2.006 10 0 AEAEMO CCC(CC)[N@@H+](CC)CCC(C)=O 393589949 573792727 /nfs/dbraw/zinc/79/27/27/573792727.db2.gz LFIBOQPWLMESLP-UHFFFAOYSA-N 1 1 185.311 2.476 10 0 AEAEMO CC[N@H+](C)Cc1nc(C2CC2)cs1 393590126 573792866 /nfs/dbraw/zinc/79/28/66/573792866.db2.gz MFYNGMUMBDUAPX-UHFFFAOYSA-N 1 1 196.319 2.472 10 0 AEAEMO CC[N@@H+](C)Cc1nc(C2CC2)cs1 393590126 573792871 /nfs/dbraw/zinc/79/28/71/573792871.db2.gz MFYNGMUMBDUAPX-UHFFFAOYSA-N 1 1 196.319 2.472 10 0 AEAEMO c1ccc2c(c1)C[NH2+][C@@H]1CCCCN21 238104264 573792888 /nfs/dbraw/zinc/79/28/88/573792888.db2.gz ITQSNXNSRUDICI-LBPRGKRZSA-N 1 1 188.274 2.106 10 0 AEAEMO CCC[C@H](C)[C@H](CN)[N@@H+](C)C1CCC1 127215783 573793634 /nfs/dbraw/zinc/79/36/34/573793634.db2.gz MPVMAOMOGQIPPP-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO Cc1oc(C[NH3+])nc1C1CCCCC1 257878133 573793790 /nfs/dbraw/zinc/79/37/90/573793790.db2.gz UXHGTGKEFWAOPJ-UHFFFAOYSA-N 1 1 194.278 2.489 10 0 AEAEMO COC1CC([N@@H+](C)CC(C)(C)C)C1 308441531 573793931 /nfs/dbraw/zinc/79/39/31/573793931.db2.gz ZBZBQLNZVWFRPA-UHFFFAOYSA-N 1 1 185.311 2.142 10 0 AEAEMO c1ccc2c(c1)C[NH2+][C@H]1CCCCN21 238104468 573793965 /nfs/dbraw/zinc/79/39/65/573793965.db2.gz ITQSNXNSRUDICI-GFCCVEGCSA-N 1 1 188.274 2.106 10 0 AEAEMO CC[NH2+][C@@H]1CC[C@H]([N@@H+](C)C2CCC2)C1 127308806 573798970 /nfs/dbraw/zinc/79/89/70/573798970.db2.gz SMYRIVFAHSZHRU-PWSUYJOCSA-N 1 1 196.338 2.001 10 0 AEAEMO CCCC[N@H+]1CCCC[C@@]1(C)CO 308443487 573799091 /nfs/dbraw/zinc/79/90/91/573799091.db2.gz ABTYIRXMKTZMBQ-NSHDSACASA-N 1 1 185.311 2.023 10 0 AEAEMO Cc1cc(Cl)cn2cc[nH+]c12 238514943 573799254 /nfs/dbraw/zinc/79/92/54/573799254.db2.gz CWWUIDQOUXBSSQ-UHFFFAOYSA-N 1 1 166.611 2.296 10 0 AEAEMO CC(C)CCC[NH2+][C@@H]1CCCC[C@@H]1N 258950474 573799407 /nfs/dbraw/zinc/79/94/07/573799407.db2.gz KLHQHDDIZYMNQO-NWDGAFQWSA-N 1 1 198.354 2.282 10 0 AEAEMO CC(C)CCC[NH2+][C@H]1CCCC[C@@H]1N 258950477 573799643 /nfs/dbraw/zinc/79/96/43/573799643.db2.gz KLHQHDDIZYMNQO-RYUDHWBXSA-N 1 1 198.354 2.282 10 0 AEAEMO Cc1coc(C(=O)[C@H]([NH3+])CC(C)C)c1 716190519 573800449 /nfs/dbraw/zinc/80/04/49/573800449.db2.gz SDGFDKCJDZMVSG-SECBINFHSA-N 1 1 195.262 2.144 10 0 AEAEMO CC(C)[C@@H]1CCC[N@H+]([C@@H](C)CN)CC1 79304435 573800451 /nfs/dbraw/zinc/80/04/51/573800451.db2.gz AWVDLKPAMDQTGP-NWDGAFQWSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)[C@@H]1CCCN([C@@H](C)C[NH3+])CC1 79304435 573800455 /nfs/dbraw/zinc/80/04/55/573800455.db2.gz AWVDLKPAMDQTGP-NWDGAFQWSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[N@@H+](CCO)[C@H](C)[C@@H](C)CC 308443022 573800078 /nfs/dbraw/zinc/80/00/78/573800078.db2.gz ZVLQKGRJTQFZIX-WDEREUQCSA-N 1 1 187.327 2.125 10 0 AEAEMO Cc1ccc(C(F)(F)C(C)(C)[NH3+])o1 258951769 573800151 /nfs/dbraw/zinc/80/01/51/573800151.db2.gz FEOZKXMJJIHYKN-UHFFFAOYSA-N 1 1 189.205 2.417 10 0 AEAEMO CC(C)C[C@](C)(CN)[N@@H+](C)C1CCC1 127223736 573800170 /nfs/dbraw/zinc/80/01/70/573800170.db2.gz DEXOXOCGHKZQTQ-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)c1nc2cccc(C[NH3+])c2[nH]1 76211339 573800189 /nfs/dbraw/zinc/80/01/89/573800189.db2.gz BLVLJGLOHDHLPS-UHFFFAOYSA-N 1 1 189.262 2.145 10 0 AEAEMO C[C@@H](N)C[NH2+]C(C)(C)CC(C)(C)C 43437385 573800835 /nfs/dbraw/zinc/80/08/35/573800835.db2.gz SVFMXGVVYZSUJS-SECBINFHSA-N 1 1 186.343 2.138 10 0 AEAEMO Cc1[nH]cc(CCc2ccoc2)[nH+]1 238514458 573800837 /nfs/dbraw/zinc/80/08/37/573800837.db2.gz XUYIWHWEQVDDJE-UHFFFAOYSA-N 1 1 176.219 2.096 10 0 AEAEMO CCC[N@@H+](CCO)[C@H](C)[C@H](C)CC 308443013 573800867 /nfs/dbraw/zinc/80/08/67/573800867.db2.gz ZVLQKGRJTQFZIX-GHMZBOCLSA-N 1 1 187.327 2.125 10 0 AEAEMO CCCC[N@@H+]1CC(=O)CCC1(C)C 258952766 573801135 /nfs/dbraw/zinc/80/11/35/573801135.db2.gz ZBTGDNOMFGYXMJ-UHFFFAOYSA-N 1 1 183.295 2.230 10 0 AEAEMO CCCC[N@H+]1CC(=O)CCC1(C)C 258952766 573801139 /nfs/dbraw/zinc/80/11/39/573801139.db2.gz ZBTGDNOMFGYXMJ-UHFFFAOYSA-N 1 1 183.295 2.230 10 0 AEAEMO CCCC(CCC)[N@H+]1CCC[C@H](N)C1 41027737 573801569 /nfs/dbraw/zinc/80/15/69/573801569.db2.gz CXEJOGAGNSNRKT-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC(CCC)N1CCC[C@H]([NH3+])C1 41027737 573801577 /nfs/dbraw/zinc/80/15/77/573801577.db2.gz CXEJOGAGNSNRKT-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CC(C)Oc1ccc2nc[nH]c2c1 76208182 573802316 /nfs/dbraw/zinc/80/23/16/573802316.db2.gz WQYJUSBQFJNITI-UHFFFAOYSA-N 1 1 176.219 2.350 10 0 AEAEMO CCCC(CCC)[N@H+]1CCC[C@@H](N)C1 41027738 573803169 /nfs/dbraw/zinc/80/31/69/573803169.db2.gz CXEJOGAGNSNRKT-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC(CCC)N1CCC[C@@H]([NH3+])C1 41027738 573803170 /nfs/dbraw/zinc/80/31/70/573803170.db2.gz CXEJOGAGNSNRKT-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CC(=O)CC[N@H+](C)CCCC(C)C 258953603 573803191 /nfs/dbraw/zinc/80/31/91/573803191.db2.gz RTKXRYPDPNKORD-UHFFFAOYSA-N 1 1 185.311 2.334 10 0 AEAEMO CC[N@@H+](C)Cc1ccc2ncoc2c1 258954988 573803409 /nfs/dbraw/zinc/80/34/09/573803409.db2.gz AEUGIIAHJPTDBB-UHFFFAOYSA-N 1 1 190.246 2.280 10 0 AEAEMO CCCCC[C@H](CN)[N@@H+](C)C1CCC1 127253879 573803591 /nfs/dbraw/zinc/80/35/91/573803591.db2.gz JECVTOHMMGOTDO-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@H](C[NH3+])N(C)C1CCC1 127253879 573803598 /nfs/dbraw/zinc/80/35/98/573803598.db2.gz JECVTOHMMGOTDO-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO C[N@@H+]1CCCC=C(CCO)CCCC1 308439462 573805870 /nfs/dbraw/zinc/80/58/70/573805870.db2.gz BJUUDPDFGFDEFK-UHFFFAOYSA-N 1 1 197.322 2.191 10 0 AEAEMO C[N@@H+](Cc1ccc[nH]1)C[Si](C)(C)C 308439734 573806043 /nfs/dbraw/zinc/80/60/43/573806043.db2.gz YLZHVBZHFJCTQZ-UHFFFAOYSA-N 1 1 196.370 2.324 10 0 AEAEMO CCC(CC)[C@]1(O)CCC[N@@H+](C)CC1 87158828 573806526 /nfs/dbraw/zinc/80/65/26/573806526.db2.gz IPWJLFJSULYKHC-LBPRGKRZSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@@H](CO)C(C)(C)C1 259196599 573810186 /nfs/dbraw/zinc/81/01/86/573810186.db2.gz IOWRDAIDSCOPAB-QWRGUYRKSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H](C)[N@H+]1CC[C@H](CO)C(C)(C)C1 259196593 573809777 /nfs/dbraw/zinc/80/97/77/573809777.db2.gz IOWRDAIDSCOPAB-GHMZBOCLSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H]1C[N@@H+](C(C)C)[C@@H](CC)CN1 223752501 573809881 /nfs/dbraw/zinc/80/98/81/573809881.db2.gz PJEUAYTTXIQNRB-RYUDHWBXSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@H]1CN(C(C)C)[C@@H](CC)C[NH2+]1 223752501 573809886 /nfs/dbraw/zinc/80/98/86/573809886.db2.gz PJEUAYTTXIQNRB-RYUDHWBXSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(CC)[N@H+]1C[C@H](C)NCC1(C)C 87175546 573811642 /nfs/dbraw/zinc/81/16/42/573811642.db2.gz PRGUDVUZXGUCKR-JTQLQIEISA-N 1 1 198.354 2.247 10 0 AEAEMO Nc1cc(C2CCSCC2)cc[nH+]1 258145392 573811956 /nfs/dbraw/zinc/81/19/56/573811956.db2.gz RMKFZQDTYDZFTD-UHFFFAOYSA-N 1 1 194.303 2.274 10 0 AEAEMO CCC(CC)[N@H+]1C[C@H](C)NCC[C@@H]1C 87175667 573811976 /nfs/dbraw/zinc/81/19/76/573811976.db2.gz BNIVARVBCVFPFY-QWRGUYRKSA-N 1 1 198.354 2.247 10 0 AEAEMO CCCC[N@@H+](C)[C@](C)(CN)C(C)C 41042159 573812013 /nfs/dbraw/zinc/81/20/13/573812013.db2.gz MVMFEHFTADAXRY-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO c1cc2c(s1)CC[N@@H+]1CCC[C@H]21 238122576 573812323 /nfs/dbraw/zinc/81/23/23/573812323.db2.gz CBXRVLCGTFFJKO-SECBINFHSA-N 1 1 179.288 2.441 10 0 AEAEMO Cc1c(C(F)F)c[nH+]c(N)c1C 238528646 573812340 /nfs/dbraw/zinc/81/23/40/573812340.db2.gz MVMCJHLMCFMXPT-UHFFFAOYSA-N 1 1 172.178 2.218 10 0 AEAEMO CCC(CC)[N@H+]1C[C@@H](C)NCC1(C)C 87175549 573812431 /nfs/dbraw/zinc/81/24/31/573812431.db2.gz PRGUDVUZXGUCKR-SNVBAGLBSA-N 1 1 198.354 2.247 10 0 AEAEMO C[N@H+](C1CCCC1)[C@H](CN)C(C)(C)C 41051554 573819538 /nfs/dbraw/zinc/81/95/38/573819538.db2.gz ZIAOWOZBKGBUTG-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@H](CN)[N@@H+](CC)C(C)C 41053110 573819136 /nfs/dbraw/zinc/81/91/36/573819136.db2.gz IDRTZDCXSVFFKJ-LLVKDONJSA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[C@H](CN)[N@@H+](CCC)C1CC1 41053120 573819482 /nfs/dbraw/zinc/81/94/82/573819482.db2.gz YSNVWOUSIYBSOJ-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@H](C[NH3+])N(CCC)C1CC1 41053120 573819488 /nfs/dbraw/zinc/81/94/88/573819488.db2.gz YSNVWOUSIYBSOJ-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@H](CN)[N@@H+](C)CC(C)C 41053124 573820656 /nfs/dbraw/zinc/82/06/56/573820656.db2.gz QVWKCQKVPNDURH-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO C[C@H](C1CC1)[N@@H+](C)[C@@H](CN)C(C)(C)C 41051603 573820739 /nfs/dbraw/zinc/82/07/39/573820739.db2.gz NJWRQPLDJQLBNG-KOLCDFICSA-N 1 1 198.354 2.090 10 0 AEAEMO CCCC[C@@H](CN)[N@@H+](C)CCCC 41053091 573820766 /nfs/dbraw/zinc/82/07/66/573820766.db2.gz MCFWUSFRBMFODS-NSHDSACASA-N 1 1 186.343 2.236 10 0 AEAEMO CCCC[C@@H](C[NH3+])N(C)CCCC 41053091 573820772 /nfs/dbraw/zinc/82/07/72/573820772.db2.gz MCFWUSFRBMFODS-NSHDSACASA-N 1 1 186.343 2.236 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@@H+]1CC[C@@](C)(CN)C1 308447524 573821141 /nfs/dbraw/zinc/82/11/41/573821141.db2.gz AAFSGPOKLQFEGP-SRVKXCTJSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@H+]1CC[C@@](C)(CN)C1 308447524 573821146 /nfs/dbraw/zinc/82/11/46/573821146.db2.gz AAFSGPOKLQFEGP-SRVKXCTJSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H](C1CC1)[N@@H+](C)[C@@H](CN)C(C)(C)C 41051602 573821189 /nfs/dbraw/zinc/82/11/89/573821189.db2.gz NJWRQPLDJQLBNG-ONGXEEELSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@@H+]1CC[C@](C)(CN)C1 308447523 573822413 /nfs/dbraw/zinc/82/24/13/573822413.db2.gz AAFSGPOKLQFEGP-SDDRHHMPSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@H+]1CC[C@](C)(CN)C1 308447523 573822417 /nfs/dbraw/zinc/82/24/17/573822417.db2.gz AAFSGPOKLQFEGP-SDDRHHMPSA-N 1 1 198.354 2.092 10 0 AEAEMO C[NH2+][C@@H](C)C(F)(F)CC1CCC1 257883356 573822759 /nfs/dbraw/zinc/82/27/59/573822759.db2.gz MKXKQAIXAZUZCX-ZETCQYMHSA-N 1 1 177.238 2.420 10 0 AEAEMO CCCC[C@@H](CN)[N@@H+](C)CC(C)C 41053123 573822898 /nfs/dbraw/zinc/82/28/98/573822898.db2.gz QVWKCQKVPNDURH-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@H](CN)C(C)(C)C 41051567 573822930 /nfs/dbraw/zinc/82/29/30/573822930.db2.gz SSOXJSKZFHORTI-UWVGGRQHSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[N@@H+](CC)[C@@H](CN)C(C)(C)C 41051556 573822937 /nfs/dbraw/zinc/82/29/37/573822937.db2.gz BKOAVLMXHFNNRG-JTQLQIEISA-N 1 1 186.343 2.092 10 0 AEAEMO CC[N@H+](C[C@]1(C)CCCCN1)C(C)C 127335236 573824344 /nfs/dbraw/zinc/82/43/44/573824344.db2.gz NNSUCCBSMMONDU-LBPRGKRZSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[N@@H+](C[C@]1(C)CCCCN1)C(C)C 127335236 573824350 /nfs/dbraw/zinc/82/43/50/573824350.db2.gz NNSUCCBSMMONDU-LBPRGKRZSA-N 1 1 198.354 2.249 10 0 AEAEMO CN(CC(C)(C)C)c1ccc[nH+]c1N 122778553 573824786 /nfs/dbraw/zinc/82/47/86/573824786.db2.gz IOTRMBKLSMNTJE-UHFFFAOYSA-N 1 1 193.294 2.146 10 0 AEAEMO CCC[N@@H+](CC)[C@](C)(CN)C(C)C 41053607 573824806 /nfs/dbraw/zinc/82/48/06/573824806.db2.gz FIPBBMWXLYDONJ-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CC(C)C[N@H+](C)C[C@]1(C)CCCCN1 127338657 573824940 /nfs/dbraw/zinc/82/49/40/573824940.db2.gz JTHOVVANVXHTQR-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)C[N@@H+](C)C[C@]1(C)CCCCN1 127338657 573824945 /nfs/dbraw/zinc/82/49/45/573824945.db2.gz JTHOVVANVXHTQR-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(=O)CC[N@H+](CCC(C)C)C1CC1 109277437 573825294 /nfs/dbraw/zinc/82/52/94/573825294.db2.gz COANOWADXPDYFA-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@@H]1CC[C@@H]([N@@H+](C)CCOC)C1 308444760 573825700 /nfs/dbraw/zinc/82/57/00/573825700.db2.gz AVMXAYYOEPPGSJ-GHMZBOCLSA-N 1 1 185.311 2.143 10 0 AEAEMO CC(C)[C@@](C)(CN)[N@@H+](C)C1CCCC1 41053604 573825762 /nfs/dbraw/zinc/82/57/62/573825762.db2.gz FAKLRRZNNPHHQC-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@@](C)(CN)C(C)C 41053684 573826970 /nfs/dbraw/zinc/82/69/70/573826970.db2.gz UVIBTGDVVVFEMK-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+](CC)[C@@](C)(CN)C(C)C 41053606 573826983 /nfs/dbraw/zinc/82/69/83/573826983.db2.gz FIPBBMWXLYDONJ-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CC[N@H+](C[C@@]1(C)CCCCN1)C(C)C 127335485 573827042 /nfs/dbraw/zinc/82/70/42/573827042.db2.gz NNSUCCBSMMONDU-GFCCVEGCSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[N@@H+](C[C@@]1(C)CCCCN1)C(C)C 127335485 573827048 /nfs/dbraw/zinc/82/70/48/573827048.db2.gz NNSUCCBSMMONDU-GFCCVEGCSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)[C@@](C)(CN)C(C)C 41053616 573827062 /nfs/dbraw/zinc/82/70/62/573827062.db2.gz RELAGIMEYSFNPE-MNOVXSKESA-N 1 1 186.343 2.090 10 0 AEAEMO CC(C)C[N@H+](C)C[C@@]1(C)CCCCN1 127338870 573827221 /nfs/dbraw/zinc/82/72/21/573827221.db2.gz JTHOVVANVXHTQR-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H]1CC[C@H]([N@@H+](C)CCOC)C1 308444764 573827224 /nfs/dbraw/zinc/82/72/24/573827224.db2.gz AVMXAYYOEPPGSJ-MNOVXSKESA-N 1 1 185.311 2.143 10 0 AEAEMO CC(C)C[N@@H+](C)C[C@@]1(C)CCCCN1 127338870 573827232 /nfs/dbraw/zinc/82/72/32/573827232.db2.gz JTHOVVANVXHTQR-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)(C)C(C)(C)C[NH2+]CC1(N)CC1 258964270 573827310 /nfs/dbraw/zinc/82/73/10/573827310.db2.gz BAPKHRODQUAOJH-UHFFFAOYSA-N 1 1 198.354 2.140 10 0 AEAEMO CC[C@@H](C)[N@H+](C)C[C@]1(C)CCCCN1 127339122 573827470 /nfs/dbraw/zinc/82/74/70/573827470.db2.gz MAARXHJUMBVXRU-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)C[C@]1(C)CCCCN1 127339122 573827475 /nfs/dbraw/zinc/82/74/75/573827475.db2.gz MAARXHJUMBVXRU-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO Cc1nc(Cl)[nH]c1[C@H]1CCC[N@H+]1C 258143707 573829405 /nfs/dbraw/zinc/82/94/05/573829405.db2.gz RITSNMCSJLMARE-SSDOTTSWSA-N 1 1 199.685 2.138 10 0 AEAEMO Cc1nc(Cl)[nH]c1[C@H]1CCC[N@@H+]1C 258143707 573829411 /nfs/dbraw/zinc/82/94/11/573829411.db2.gz RITSNMCSJLMARE-SSDOTTSWSA-N 1 1 199.685 2.138 10 0 AEAEMO CC(C)CC[N@H+](C1CC1)[C@H](C)[C@@H](C)N 109274416 573829422 /nfs/dbraw/zinc/82/94/22/573829422.db2.gz IDCAWHOKPQCTPY-GHMZBOCLSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)CCN(C1CC1)[C@H](C)[C@@H](C)[NH3+] 109274416 573829425 /nfs/dbraw/zinc/82/94/25/573829425.db2.gz IDCAWHOKPQCTPY-GHMZBOCLSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)[N@@H+]1CCCC[C@H]1C(C)(C)CN 259573172 573829715 /nfs/dbraw/zinc/82/97/15/573829715.db2.gz YBINNMAGZHIUHP-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@H]1C(C)(C)CN 259573172 573829718 /nfs/dbraw/zinc/82/97/18/573829718.db2.gz YBINNMAGZHIUHP-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO Cc1nc(Cl)[nH]c1[C@@H]1CCC[N@H+]1C 258143709 573829944 /nfs/dbraw/zinc/82/99/44/573829944.db2.gz RITSNMCSJLMARE-ZETCQYMHSA-N 1 1 199.685 2.138 10 0 AEAEMO Cc1nc(Cl)[nH]c1[C@@H]1CCC[N@@H+]1C 258143709 573829950 /nfs/dbraw/zinc/82/99/50/573829950.db2.gz RITSNMCSJLMARE-ZETCQYMHSA-N 1 1 199.685 2.138 10 0 AEAEMO CC[C@H](C(N)=[NH2+])[N@@H+](CC(C)C)C(C)C 43541651 573834680 /nfs/dbraw/zinc/83/46/80/573834680.db2.gz LGKVJWGSBIBFHR-SNVBAGLBSA-N 1 1 199.342 2.067 10 0 AEAEMO CC[C@H](C(N)=[NH2+])N(CC(C)C)C(C)C 43541651 573834690 /nfs/dbraw/zinc/83/46/90/573834690.db2.gz LGKVJWGSBIBFHR-SNVBAGLBSA-N 1 1 199.342 2.067 10 0 AEAEMO CCC/C=C\CC[N@@H+](C)CCOC 308448573 573835057 /nfs/dbraw/zinc/83/50/57/573835057.db2.gz CIHQYMGENXFPFN-SREVYHEPSA-N 1 1 185.311 2.311 10 0 AEAEMO CC[C@](C)([C@@H](C)NC)[N@@H+]1CCC[C@H]1C 308448377 573835080 /nfs/dbraw/zinc/83/50/80/573835080.db2.gz AKEPXAHTLQMODZ-IJLUTSLNSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@](C)([C@@H](C)NC)[N@H+]1CCC[C@H]1C 308448377 573835087 /nfs/dbraw/zinc/83/50/87/573835087.db2.gz AKEPXAHTLQMODZ-IJLUTSLNSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@](C)([C@@H](C)NC)[N@@H+]1CCC[C@@H]1C 308448378 573838932 /nfs/dbraw/zinc/83/89/32/573838932.db2.gz AKEPXAHTLQMODZ-QJPTWQEYSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@](C)([C@@H](C)NC)[N@H+]1CCC[C@@H]1C 308448378 573838935 /nfs/dbraw/zinc/83/89/35/573838935.db2.gz AKEPXAHTLQMODZ-QJPTWQEYSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@](C)([C@H](C)NC)[N@@H+]1CCC[C@H]1C 308448376 573839001 /nfs/dbraw/zinc/83/90/01/573839001.db2.gz AKEPXAHTLQMODZ-GRYCIOLGSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@](C)([C@H](C)NC)[N@H+]1CCC[C@H]1C 308448376 573839005 /nfs/dbraw/zinc/83/90/05/573839005.db2.gz AKEPXAHTLQMODZ-GRYCIOLGSA-N 1 1 198.354 2.247 10 0 AEAEMO COC[N@H+](C)Cc1ccc(C)cc1C 258966905 573839057 /nfs/dbraw/zinc/83/90/57/573839057.db2.gz BDVVCOOQSALTFF-UHFFFAOYSA-N 1 1 193.290 2.339 10 0 AEAEMO COC[N@@H+](C)Cc1ccc(C)cc1C 258966905 573839063 /nfs/dbraw/zinc/83/90/63/573839063.db2.gz BDVVCOOQSALTFF-UHFFFAOYSA-N 1 1 193.290 2.339 10 0 AEAEMO CC(C)Cc1[nH+]cc2c(O)cccn12 258150574 573839066 /nfs/dbraw/zinc/83/90/66/573839066.db2.gz HTIHOGLGGJFTDY-UHFFFAOYSA-N 1 1 190.246 2.238 10 0 AEAEMO CC[N@@H+](C)CC1(CO)CCC(C)CC1 84340212 573839946 /nfs/dbraw/zinc/83/99/46/573839946.db2.gz ACNUBKPZDQRJBF-UHFFFAOYSA-N 1 1 199.338 2.127 10 0 AEAEMO CC(C)C[C@H]1CC[C@]2(C)NCC[N@@H+]2C1 238158517 573840292 /nfs/dbraw/zinc/84/02/92/573840292.db2.gz CGROSEWKMFJOPD-VXGBXAGGSA-N 1 1 196.338 2.064 10 0 AEAEMO CC(C)C[C@H]1CC[C@]2(C)NCC[N@H+]2C1 238158517 573840298 /nfs/dbraw/zinc/84/02/98/573840298.db2.gz CGROSEWKMFJOPD-VXGBXAGGSA-N 1 1 196.338 2.064 10 0 AEAEMO Cc1cc(Cl)c2c[nH+]cn2c1 238534459 573840508 /nfs/dbraw/zinc/84/05/08/573840508.db2.gz LDDNFHTXXYCYMN-UHFFFAOYSA-N 1 1 166.611 2.296 10 0 AEAEMO CC(C)[C@](C)(CN)[N@H+]1CCC(C)(C)C1 87251387 573843953 /nfs/dbraw/zinc/84/39/53/573843953.db2.gz DGBHXRJAZOTBLS-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CO[C@H](C)C[N@@H+](C)CC=C1CCC1 308450516 573844261 /nfs/dbraw/zinc/84/42/61/573844261.db2.gz DGURTUWSCIYOHM-SNVBAGLBSA-N 1 1 183.295 2.063 10 0 AEAEMO CO[C@@H](C)C[N@@H+](C)CC=C1CCC1 308450514 573844649 /nfs/dbraw/zinc/84/46/49/573844649.db2.gz DGURTUWSCIYOHM-JTQLQIEISA-N 1 1 183.295 2.063 10 0 AEAEMO CC(C)[C@@](C)(CN)[N@H+]1CCC(C)(C)C1 87251386 573846207 /nfs/dbraw/zinc/84/62/07/573846207.db2.gz DGBHXRJAZOTBLS-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO Cc1cc2[nH+]ccn2c2ccc(N)cc12 258159731 573849025 /nfs/dbraw/zinc/84/90/25/573849025.db2.gz SRWRPHVHKXWCNB-UHFFFAOYSA-N 1 1 197.241 2.378 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H](C2(O)CCC2)C1 257888406 573849039 /nfs/dbraw/zinc/84/90/39/573849039.db2.gz CFYDLCJBYTZNOO-NSHDSACASA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[N@@H+](CC(C)C)[C@H](CN)C1CC1 308451908 573849180 /nfs/dbraw/zinc/84/91/80/573849180.db2.gz BTRXYAIMYXXZEK-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO C[N@@H+](CC1CCCC1)C(C)(C)CCO 258972265 573849306 /nfs/dbraw/zinc/84/93/06/573849306.db2.gz ZBDYTFVAOKTABF-UHFFFAOYSA-N 1 1 199.338 2.269 10 0 AEAEMO CC1(C)CC[N@H+]([C@@H](CN)C(C)(C)C)C1 87232586 573849369 /nfs/dbraw/zinc/84/93/69/573849369.db2.gz MHBKTTJILYKPAG-JTQLQIEISA-N 1 1 198.354 2.092 10 0 AEAEMO CC1(C)CC[N@H+]([C@@H]2CCC[C@H](O)C2)C1 87257892 573850626 /nfs/dbraw/zinc/85/06/26/573850626.db2.gz KTFMHCUAIOTQIQ-MNOVXSKESA-N 1 1 197.322 2.022 10 0 AEAEMO CC1(C)CC[N@@H+](C[C@H]2CCCC2=O)C1 87258557 573850676 /nfs/dbraw/zinc/85/06/76/573850676.db2.gz ZJJZDMPIVOPVLC-SNVBAGLBSA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@@H](O)C(C)(C)C[N@H+]1CCC(C)(C)C1 87258770 573850743 /nfs/dbraw/zinc/85/07/43/573850743.db2.gz YFXACYAZOUPGAV-SNVBAGLBSA-N 1 1 199.338 2.125 10 0 AEAEMO CC1(C)CC[N@H+]([C@H]2CCCCC2=O)C1 87256882 573850802 /nfs/dbraw/zinc/85/08/02/573850802.db2.gz QBLMDZFFGLNBKV-JTQLQIEISA-N 1 1 195.306 2.230 10 0 AEAEMO CSCc1ccc(C[NH+]2CCC2)o1 393565376 573851018 /nfs/dbraw/zinc/85/10/18/573851018.db2.gz IWZMCSNFCWCBCY-UHFFFAOYSA-N 1 1 197.303 2.348 10 0 AEAEMO C[C@@H]([NH3+])C(C)(C)C[N@H+]1CCC(C)(C)C1 87258622 573851244 /nfs/dbraw/zinc/85/12/44/573851244.db2.gz MNUBDJQFXCDBAK-SNVBAGLBSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@]1([C@@H]2CCCN2C)CCCC[NH2+]1 258161306 573853389 /nfs/dbraw/zinc/85/33/89/573853389.db2.gz KYFHFUHJNGKWBX-RYUDHWBXSA-N 1 1 196.338 2.003 10 0 AEAEMO CCCCC[N@H+]1C[C@@H](O)CC1(C)C 259212586 573853067 /nfs/dbraw/zinc/85/30/67/573853067.db2.gz COYPHCAEIMORCE-JTQLQIEISA-N 1 1 185.311 2.022 10 0 AEAEMO Cc1c[nH+]c2cccc(Cl)n12 258154775 573854754 /nfs/dbraw/zinc/85/47/54/573854754.db2.gz BFCUTXZCONJBKD-UHFFFAOYSA-N 1 1 166.611 2.296 10 0 AEAEMO CCC1(CC)CC[N@@H+](CCC(C)=O)C1 87256949 573856301 /nfs/dbraw/zinc/85/63/01/573856301.db2.gz ZFFQSDMTWQSPSA-UHFFFAOYSA-N 1 1 197.322 2.478 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+]1CCC(C)(C)C1 87256857 573856409 /nfs/dbraw/zinc/85/64/09/573856409.db2.gz ZUPZCFMGZDXWFP-VIFPVBQESA-N 1 1 183.295 2.086 10 0 AEAEMO CCC(CC)[N@H+]1CCC[C@H](C[NH2+]C)C1 40592719 573856495 /nfs/dbraw/zinc/85/64/95/573856495.db2.gz OFCTVRIZUNCGGE-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO C[C@H]([NH3+])C(C)(C)C[N@H+]1CCC(C)(C)C1 87258621 573856509 /nfs/dbraw/zinc/85/65/09/573856509.db2.gz MNUBDJQFXCDBAK-JTQLQIEISA-N 1 1 198.354 2.092 10 0 AEAEMO C[N@H+]1CCC[C@](O)(C2CCCCC2)C1 84361585 573856541 /nfs/dbraw/zinc/85/65/41/573856541.db2.gz JRXBBFKMUMYAQS-GFCCVEGCSA-N 1 1 197.322 2.023 10 0 AEAEMO C[N@H+]1CCC[C@@](O)(C2CCCCC2)C1 84361589 573857136 /nfs/dbraw/zinc/85/71/36/573857136.db2.gz JRXBBFKMUMYAQS-LBPRGKRZSA-N 1 1 197.322 2.023 10 0 AEAEMO CC(C)C[N@H+]1CCC[C@H](N)[C@@H]1C(C)C 84362870 573857168 /nfs/dbraw/zinc/85/71/68/573857168.db2.gz HZJFNTRYNPORNZ-RYUDHWBXSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC[C@@H]1CNc2cc(C)c[nH+]c2N1 87261459 573857310 /nfs/dbraw/zinc/85/73/10/573857310.db2.gz QHVIVVYCMDPCTG-SECBINFHSA-N 1 1 191.278 2.396 10 0 AEAEMO CC[NH2+][C@@H](C)c1c[nH]c(C2(C)CC2)n1 393669471 573857408 /nfs/dbraw/zinc/85/74/08/573857408.db2.gz ILCHLAUPGGNINX-QMMMGPOBSA-N 1 1 193.294 2.132 10 0 AEAEMO CCC(CC)[N@H+]1CCC[C@@H](C[NH2+]C)C1 40592723 573857469 /nfs/dbraw/zinc/85/74/69/573857469.db2.gz OFCTVRIZUNCGGE-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO Cc1c[nH+]c2c(c1)NC[C@H](C(C)C)N2 87260738 573857562 /nfs/dbraw/zinc/85/75/62/573857562.db2.gz DDBFCDAMILYMMK-SNVBAGLBSA-N 1 1 191.278 2.252 10 0 AEAEMO CC(C)[C@H]1CNc2ccc[nH+]c2NC1 87262543 573857594 /nfs/dbraw/zinc/85/75/94/573857594.db2.gz CGFWXWSCBOXLHI-VIFPVBQESA-N 1 1 191.278 2.191 10 0 AEAEMO Cc1[nH+]ccn1C[C@@H](C)CC(F)F 688751336 573857676 /nfs/dbraw/zinc/85/76/76/573857676.db2.gz YFFJWYISBLYIDG-ZETCQYMHSA-N 1 1 188.221 2.483 10 0 AEAEMO CC[C@@H](C)[C@H]1CNc2ccc[nH+]c2N1 87261051 573857994 /nfs/dbraw/zinc/85/79/94/573857994.db2.gz SPDNQJLZYLCNDD-PSASIEDQSA-N 1 1 191.278 2.334 10 0 AEAEMO CC[NH2+][C@H](C)c1c[nH]c(C2(C)CC2)n1 393669468 573858540 /nfs/dbraw/zinc/85/85/40/573858540.db2.gz ILCHLAUPGGNINX-MRVPVSSYSA-N 1 1 193.294 2.132 10 0 AEAEMO CC1(C)CCNc2ccc[nH+]c2N1 87261772 573858542 /nfs/dbraw/zinc/85/85/42/573858542.db2.gz OYRZLWDHEVTESK-UHFFFAOYSA-N 1 1 177.251 2.088 10 0 AEAEMO c1c[nH+]c2c(c1)NC[C@@H]1CCC[C@@H]1N2 87261591 573858256 /nfs/dbraw/zinc/85/82/56/573858256.db2.gz OMCNKDWJONQIEC-IUCAKERBSA-N 1 1 189.262 2.088 10 0 AEAEMO C[C@]1(C2CC2)CNc2ccc[nH+]c2N1 87261826 573858267 /nfs/dbraw/zinc/85/82/67/573858267.db2.gz NJDANCJGRICIRY-LLVKDONJSA-N 1 1 189.262 2.088 10 0 AEAEMO CCCC(=O)C[N@H+]1CC2CCC1CC2 308456542 573858305 /nfs/dbraw/zinc/85/83/05/573858305.db2.gz BWHGYJRCZOMTFS-UHFFFAOYSA-N 1 1 195.306 2.230 10 0 AEAEMO Cc1[nH+]ccn1C[C@H](C)CC(F)F 688751335 573858352 /nfs/dbraw/zinc/85/83/52/573858352.db2.gz YFFJWYISBLYIDG-SSDOTTSWSA-N 1 1 188.221 2.483 10 0 AEAEMO C[C@H]1[C@H](N)CCC[N@H+]1C1CCCCC1 84360550 573858377 /nfs/dbraw/zinc/85/83/77/573858377.db2.gz SXLIKTRHZVEKCI-CMPLNLGQSA-N 1 1 196.338 2.131 10 0 AEAEMO C[C@H]1[C@H]([NH3+])CCCN1C1CCCCC1 84360550 573858382 /nfs/dbraw/zinc/85/83/82/573858382.db2.gz SXLIKTRHZVEKCI-CMPLNLGQSA-N 1 1 196.338 2.131 10 0 AEAEMO C[C@@H]1[C@H](N)CCC[N@H+]1C1CCCCC1 84360546 573858487 /nfs/dbraw/zinc/85/84/87/573858487.db2.gz SXLIKTRHZVEKCI-ZYHUDNBSSA-N 1 1 196.338 2.131 10 0 AEAEMO C[C@@H]1[C@H]([NH3+])CCCN1C1CCCCC1 84360546 573858491 /nfs/dbraw/zinc/85/84/91/573858491.db2.gz SXLIKTRHZVEKCI-ZYHUDNBSSA-N 1 1 196.338 2.131 10 0 AEAEMO CCC[N@H+]1CCC[C@](O)(C2CC2)CC1 84375386 573860832 /nfs/dbraw/zinc/86/08/32/573860832.db2.gz LOVWLHMRXLIFQB-GFCCVEGCSA-N 1 1 197.322 2.023 10 0 AEAEMO c1c[nH+]c2c(c1)NCCC1(CCC1)N2 87262756 573860843 /nfs/dbraw/zinc/86/08/43/573860843.db2.gz GHQQQPXJALTWME-UHFFFAOYSA-N 1 1 189.262 2.232 10 0 AEAEMO CC[C@H](C)[C@H]1CNc2ccc[nH+]c2N1 87261052 573861119 /nfs/dbraw/zinc/86/11/19/573861119.db2.gz SPDNQJLZYLCNDD-WCBMZHEXSA-N 1 1 191.278 2.334 10 0 AEAEMO CC[C@@H]1CNc2cc(C)c[nH+]c2N1C 87262289 573861187 /nfs/dbraw/zinc/86/11/87/573861187.db2.gz SPUZTPLOIWSMRN-SECBINFHSA-N 1 1 191.278 2.030 10 0 AEAEMO CCN1c2[nH+]cccc2NCC[C@H]1C 87262182 573861231 /nfs/dbraw/zinc/86/12/31/573861231.db2.gz VZBQPGUFJRFBTP-SECBINFHSA-N 1 1 191.278 2.112 10 0 AEAEMO Cc1c[nH+]c2c(c1)NCC(C)(C)N2 87261551 573861290 /nfs/dbraw/zinc/86/12/90/573861290.db2.gz CYOSEGATDNLVCV-UHFFFAOYSA-N 1 1 177.251 2.006 10 0 AEAEMO c1c[nH+]c2c(c1)NC[C@H]1CCC[C@H]1N2 87261588 573861320 /nfs/dbraw/zinc/86/13/20/573861320.db2.gz OMCNKDWJONQIEC-RKDXNWHRSA-N 1 1 189.262 2.088 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@](O)(C2CC2)CC1 84375391 573861356 /nfs/dbraw/zinc/86/13/56/573861356.db2.gz CUIUDLNDNYFAHI-LBPRGKRZSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@]1(C2CC2)CNc2ccc[nH+]c2N1 87261827 573861431 /nfs/dbraw/zinc/86/14/31/573861431.db2.gz NJDANCJGRICIRY-NSHDSACASA-N 1 1 189.262 2.088 10 0 AEAEMO CC[C@@]1(C)CNc2ccc[nH+]c2N1 87261694 573861530 /nfs/dbraw/zinc/86/15/30/573861530.db2.gz MIZBZEYZYPYSNH-JTQLQIEISA-N 1 1 177.251 2.088 10 0 AEAEMO CCC[C@H]([NH2+]C)[C@H](CC)N1CCCC1 43807147 573861542 /nfs/dbraw/zinc/86/15/42/573861542.db2.gz FQODTKGICHRHQM-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC1(CC)CNc2ccc[nH+]c2N1 87261873 573861570 /nfs/dbraw/zinc/86/15/70/573861570.db2.gz LRARISIVIVSABL-UHFFFAOYSA-N 1 1 191.278 2.478 10 0 AEAEMO COC[N@@H+](C)CC1CCCCC1 258974561 573864195 /nfs/dbraw/zinc/86/41/95/573864195.db2.gz BXUNJSCIYZSELR-UHFFFAOYSA-N 1 1 171.284 2.102 10 0 AEAEMO Clc1ccc([C@H]2[NH2+]CCO2)s1 258164683 573864251 /nfs/dbraw/zinc/86/42/51/573864251.db2.gz QZTOMXOMIPAZTN-ZETCQYMHSA-N 1 1 189.667 2.020 10 0 AEAEMO CC[C@](C)([C@H](C)O)[N@@H+](C)C[C@@H]1C[C@H]1C 393669657 573871093 /nfs/dbraw/zinc/87/10/93/573871093.db2.gz RQEGPYLYMBJLFK-NOOOWODRSA-N 1 1 199.338 2.124 10 0 AEAEMO CN[C@H](C)C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 43968363 573871101 /nfs/dbraw/zinc/87/11/01/573871101.db2.gz YSNHGWMBCUJHHH-IJLUTSLNSA-N 1 1 198.354 2.105 10 0 AEAEMO CN[C@H](C)C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 43968363 573871103 /nfs/dbraw/zinc/87/11/03/573871103.db2.gz YSNHGWMBCUJHHH-IJLUTSLNSA-N 1 1 198.354 2.105 10 0 AEAEMO CCc1oc(C[NH3+])nc1C1CCCC1 257889604 573871240 /nfs/dbraw/zinc/87/12/40/573871240.db2.gz WUUZKDJPGQTUKD-UHFFFAOYSA-N 1 1 194.278 2.353 10 0 AEAEMO CCC[N@@H+](CC[C@H](C)[NH2+]C)C(C)C 43885054 573871546 /nfs/dbraw/zinc/87/15/46/573871546.db2.gz IVFRILKPTBIBLL-NSHDSACASA-N 1 1 186.343 2.105 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1CC[C@@H](C)[NH2+]C 43883363 573871611 /nfs/dbraw/zinc/87/16/11/573871611.db2.gz CPRMXQYVYOQXNY-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H]1CCC[N@@H+](CC[C@@H](C)[NH2+]C)C1 43896719 573871762 /nfs/dbraw/zinc/87/17/62/573871762.db2.gz RKUOZRNEVLJGON-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[C@@H](C)[N@H+]1CC[C@H](OC)C1 308458597 573871853 /nfs/dbraw/zinc/87/18/53/573871853.db2.gz GUSRMZIOWASICR-MNOVXSKESA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@](C)([C@H](C)O)[N@@H+](C)C[C@H]1C[C@@H]1C 393669656 573872258 /nfs/dbraw/zinc/87/22/58/573872258.db2.gz RQEGPYLYMBJLFK-NNYUYHANSA-N 1 1 199.338 2.124 10 0 AEAEMO CC(C)C(F)(F)[C@@H]1CC[N@@H+](C)C1 258979830 573872660 /nfs/dbraw/zinc/87/26/60/573872660.db2.gz JIWYHZMULDCHDR-MRVPVSSYSA-N 1 1 177.238 2.229 10 0 AEAEMO CCC[NH+](CCC)C[C@H](C)NCC 43814792 573872902 /nfs/dbraw/zinc/87/29/02/573872902.db2.gz DTGLDEBYZMTCSM-NSHDSACASA-N 1 1 186.343 2.106 10 0 AEAEMO CC[C@H](C)C[NH2+]C[C@]1(C)CCCCN1 127390896 573872938 /nfs/dbraw/zinc/87/29/38/573872938.db2.gz NKFNOKZXZMIGIT-RYUDHWBXSA-N 1 1 198.354 2.154 10 0 AEAEMO CCC[N@H+](C[C@H](C)NCC)C(C)C 43885142 573873070 /nfs/dbraw/zinc/87/30/70/573873070.db2.gz JSDRMSNAYLBSDA-NSHDSACASA-N 1 1 186.343 2.105 10 0 AEAEMO CC[C@@H](C)C[NH2+]C[C@]1(C)CCCCN1 127390679 573874680 /nfs/dbraw/zinc/87/46/80/573874680.db2.gz NKFNOKZXZMIGIT-NEPJUHHUSA-N 1 1 198.354 2.154 10 0 AEAEMO CC[C@@H](NC)[C@H](C)[NH+]1CCCCCC1 43812030 573873947 /nfs/dbraw/zinc/87/39/47/573873947.db2.gz ZTFSMSDNLVDYSZ-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)C[C@@H]1CC[C@@]2(C)NCC[N@H+]2C1 238164671 573874150 /nfs/dbraw/zinc/87/41/50/573874150.db2.gz CGROSEWKMFJOPD-RYUDHWBXSA-N 1 1 196.338 2.064 10 0 AEAEMO CCC[NH+](CCC)[C@H](C)[C@@H](C)NC 43814750 573874314 /nfs/dbraw/zinc/87/43/14/573874314.db2.gz WNYMGQGEBWWHPZ-GHMZBOCLSA-N 1 1 186.343 2.105 10 0 AEAEMO CCC[C@H](CC)[N@H+]1[C@@H](C)CNC[C@H]1C 308897587 573874337 /nfs/dbraw/zinc/87/43/37/573874337.db2.gz AMQKETVXJNMASY-TUAOUCFPSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@H](C)C[C@]1(O)C[C@H](C)[N@@H+](C)C1 127488716 573874561 /nfs/dbraw/zinc/87/45/61/573874561.db2.gz GXJPQXHVEUJXQW-SRVKXCTJSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)C[C@@H]1CC[C@]2(C)NCC[N@H+]2C1 238164725 573874603 /nfs/dbraw/zinc/87/46/03/573874603.db2.gz CGROSEWKMFJOPD-NWDGAFQWSA-N 1 1 196.338 2.064 10 0 AEAEMO CC[C@@H](C)C[NH2+]C[C@@]1(C)CCCCN1 127391130 573874860 /nfs/dbraw/zinc/87/48/60/573874860.db2.gz NKFNOKZXZMIGIT-VXGBXAGGSA-N 1 1 198.354 2.154 10 0 AEAEMO CCC[C@@H]([NH3+])CN1[C@H](C)CCC[C@H]1C 308460574 573874888 /nfs/dbraw/zinc/87/48/88/573874888.db2.gz GADHVOSHMWSYFN-IJLUTSLNSA-N 1 1 198.354 2.377 10 0 AEAEMO Nc1cn[nH+]c(C2CCCCC2)c1 257895637 573874971 /nfs/dbraw/zinc/87/49/71/573874971.db2.gz HEBBVQQJQPHKFQ-UHFFFAOYSA-N 1 1 177.251 2.107 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)CC[C@@H](C)[NH2+]C 43888675 573875140 /nfs/dbraw/zinc/87/51/40/573875140.db2.gz KTZJRCHYENHUGC-GHMZBOCLSA-N 1 1 186.343 2.105 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1CC[C@@H](C)[NH2+]C 43883361 573875262 /nfs/dbraw/zinc/87/52/62/573875262.db2.gz CPRMXQYVYOQXNY-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[NH2+][C@H](C)CC[N@H+]1CCC[C@@H]1CC 43904706 573875366 /nfs/dbraw/zinc/87/53/66/573875366.db2.gz TXIKZMVFNODJNV-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)[N@@H+](C)CC[C@H](C)[NH2+]C 43895953 573875606 /nfs/dbraw/zinc/87/56/06/573875606.db2.gz DUYZXBBWBDOBOH-JTQLQIEISA-N 1 1 186.343 2.105 10 0 AEAEMO CC[N@H+]1CCC[C@H](CCC2(O)CC2)C1 258168927 573875638 /nfs/dbraw/zinc/87/56/38/573875638.db2.gz XJUORKQDTOHOAC-LLVKDONJSA-N 1 1 197.322 2.023 10 0 AEAEMO CN[C@@H](C)C[N@H+](C)C1CCC(C)CC1 43966976 573877273 /nfs/dbraw/zinc/87/72/73/573877273.db2.gz BLCKYAAIZGZPTD-CXQJBGSLSA-N 1 1 198.354 2.105 10 0 AEAEMO CN[C@@H](C)C[N@@H+](C)C1CCC(C)CC1 43966976 573877278 /nfs/dbraw/zinc/87/72/78/573877278.db2.gz BLCKYAAIZGZPTD-CXQJBGSLSA-N 1 1 198.354 2.105 10 0 AEAEMO Cc1cc2[nH+]ccn2cc1OC(C)C 238176327 573877431 /nfs/dbraw/zinc/87/74/31/573877431.db2.gz YHNHVKGVFBQIEN-UHFFFAOYSA-N 1 1 190.246 2.430 10 0 AEAEMO CN[C@H](C)C[N@H+](C)C1CCC(C)CC1 43966975 573877957 /nfs/dbraw/zinc/87/79/57/573877957.db2.gz BLCKYAAIZGZPTD-MOENNCHZSA-N 1 1 198.354 2.105 10 0 AEAEMO CN[C@H](C)C[N@@H+](C)C1CCC(C)CC1 43966975 573877963 /nfs/dbraw/zinc/87/79/63/573877963.db2.gz BLCKYAAIZGZPTD-MOENNCHZSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[N@@H+](C)[C@@H]1CCO[C@@H](C)C1 306345027 573879398 /nfs/dbraw/zinc/87/93/98/573879398.db2.gz OQBMIHRQCGGJCK-WDEREUQCSA-N 1 1 185.311 2.142 10 0 AEAEMO CNCC(C)(C)[NH2+]C1CCCCCC1 258981002 573880516 /nfs/dbraw/zinc/88/05/16/573880516.db2.gz ONAHQJKVLDEYQA-UHFFFAOYSA-N 1 1 198.354 2.297 10 0 AEAEMO CCC[N@@H+](CC[C@H](C)[NH2+]C)CC1CC1 43967408 573880827 /nfs/dbraw/zinc/88/08/27/573880827.db2.gz FCBXQERFDRDTFQ-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO COC[N@H+](C)CCc1cccc(C)c1 259218619 573881028 /nfs/dbraw/zinc/88/10/28/573881028.db2.gz XOGNNESTHUZBKV-UHFFFAOYSA-N 1 1 193.290 2.073 10 0 AEAEMO COC[N@@H+](C)CCc1cccc(C)c1 259218619 573881030 /nfs/dbraw/zinc/88/10/30/573881030.db2.gz XOGNNESTHUZBKV-UHFFFAOYSA-N 1 1 193.290 2.073 10 0 AEAEMO CC[C@@H](O)[C@@H](C)[N@@H+](CC(C)C)C1CC1 44170385 573883879 /nfs/dbraw/zinc/88/38/79/573883879.db2.gz DFEAXXNUIYNDQS-ZYHUDNBSSA-N 1 1 199.338 2.266 10 0 AEAEMO CCCC[N@H+](C1CC1)[C@H](C)[C@@H](C)O 44168254 573883897 /nfs/dbraw/zinc/88/38/97/573883897.db2.gz TXFQHQATYNWAPQ-NXEZZACHSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@@H](O)[C@@H](C)[N@H+]1CCCC[C@@H]1C 44116241 573883968 /nfs/dbraw/zinc/88/39/68/573883968.db2.gz FJNPGBXWQSRVRF-HBNTYKKESA-N 1 1 185.311 2.020 10 0 AEAEMO CCC[C@H](O)[C@@H](CC)n1cc[nH+]c1C 44180943 573883363 /nfs/dbraw/zinc/88/33/63/573883363.db2.gz FLMUDXFUVDLMGZ-MNOVXSKESA-N 1 1 196.294 2.304 10 0 AEAEMO CC[C@@H](O)[C@@H](C)[N@@H+](CC)CC(C)C 44126931 573883394 /nfs/dbraw/zinc/88/33/94/573883394.db2.gz GSFBVVPCVNWCKC-GHMZBOCLSA-N 1 1 187.327 2.124 10 0 AEAEMO C[C@@H]([C@@H](C)O)[N@@H+](C)[C@@H](C)C(C)(C)C 44164915 573883520 /nfs/dbraw/zinc/88/35/20/573883520.db2.gz NKJWQLWGKRPPAI-AEJSXWLSSA-N 1 1 187.327 2.122 10 0 AEAEMO CCC(CC)[N@H+](C)[C@H](C)[C@H](O)CC 44134384 573883663 /nfs/dbraw/zinc/88/36/63/573883663.db2.gz BDTPUILGAYJRDD-MWLCHTKSSA-N 1 1 187.327 2.266 10 0 AEAEMO CCC1(c2cnc(C[NH3+])o2)CCCC1 87330430 573883685 /nfs/dbraw/zinc/88/36/85/573883685.db2.gz QODNSWKFTVPLGL-UHFFFAOYSA-N 1 1 194.278 2.355 10 0 AEAEMO CC[C@@H](O)[C@@H](C)[N@@H+](C)[C@@H](C)C(C)C 44159685 573883709 /nfs/dbraw/zinc/88/37/09/573883709.db2.gz ANCTVKITWWVRMV-HBNTYKKESA-N 1 1 187.327 2.122 10 0 AEAEMO CC[C@H](O)[C@@H](C)[N@@H+](CC)C1CCCC1 44131897 573883729 /nfs/dbraw/zinc/88/37/29/573883729.db2.gz AJONUJCHVUSTAJ-PWSUYJOCSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[C@@H](O)[C@H](C)[N@@H+](C)C1CCCC1 44128688 573883814 /nfs/dbraw/zinc/88/38/14/573883814.db2.gz FEXCXKOJHFVKKE-GXSJLCMTSA-N 1 1 185.311 2.020 10 0 AEAEMO CCC[C@@H](O)[C@@H](CC)[N@@H+](C)CC1CC1 44161696 573885247 /nfs/dbraw/zinc/88/52/47/573885247.db2.gz NZBGVLQZEUIWQM-VXGBXAGGSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H](O)[C@H](C)[N@@H+](CC)CC(C)C 44126939 573885255 /nfs/dbraw/zinc/88/52/55/573885255.db2.gz GSFBVVPCVNWCKC-WDEREUQCSA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@@H](O)[C@@H](C)[N@@H+](CC)C1CCCC1 44131899 573885264 /nfs/dbraw/zinc/88/52/64/573885264.db2.gz AJONUJCHVUSTAJ-ZYHUDNBSSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[C@@H](O)[C@H](CC)[N@@H+](C)CC1CC1 44161702 573885309 /nfs/dbraw/zinc/88/53/09/573885309.db2.gz NZBGVLQZEUIWQM-NWDGAFQWSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCC[N@H+](C1CC1)[C@@H](C)[C@@H](C)O 44168249 573885324 /nfs/dbraw/zinc/88/53/24/573885324.db2.gz TXFQHQATYNWAPQ-VHSXEESVSA-N 1 1 185.311 2.020 10 0 AEAEMO Cc1ccsc1C(F)(F)[C@H](C)[NH3+] 259220107 573885352 /nfs/dbraw/zinc/88/53/52/573885352.db2.gz RJHQGJYCGIOWDE-LURJTMIESA-N 1 1 191.246 2.496 10 0 AEAEMO CCCC[N@@H+](C)[C@H]1CCCCC[C@@H]1O 44122693 573885389 /nfs/dbraw/zinc/88/53/89/573885389.db2.gz RPXWHEMQNFFXQG-RYUDHWBXSA-N 1 1 199.338 2.412 10 0 AEAEMO C[C@H](O)[C@H](C)[N@@H+](C)[C@@H](C)C(C)(C)C 44164921 573885436 /nfs/dbraw/zinc/88/54/36/573885436.db2.gz NKJWQLWGKRPPAI-GUBZILKMSA-N 1 1 187.327 2.122 10 0 AEAEMO CCC(CC)[N@H+](C)[C@@H](C)[C@H](O)CC 44134382 573885600 /nfs/dbraw/zinc/88/56/00/573885600.db2.gz BDTPUILGAYJRDD-GXSJLCMTSA-N 1 1 187.327 2.266 10 0 AEAEMO CCC[C@@H](O)[C@H](CC)n1cc[nH+]c1C 44180949 573885678 /nfs/dbraw/zinc/88/56/78/573885678.db2.gz FLMUDXFUVDLMGZ-WDEREUQCSA-N 1 1 196.294 2.304 10 0 AEAEMO C[C@H]1CC[C@H](O)[C@H]([N@@H+]2CCC[C@@H]2C)C1 44112961 573885736 /nfs/dbraw/zinc/88/57/36/573885736.db2.gz YVGDGXNDCAWOKR-YFKTTZPYSA-N 1 1 197.322 2.020 10 0 AEAEMO CC(C)C[N@@H+](C(C)C)[C@H](C)[C@@H](C)O 44177371 573889416 /nfs/dbraw/zinc/88/94/16/573889416.db2.gz YGAFMMQXPDMNTO-GHMZBOCLSA-N 1 1 187.327 2.122 10 0 AEAEMO CC[C@H](O)[C@@H](C)[N@@H+](CC1CC1)C(C)C 44178542 573889658 /nfs/dbraw/zinc/88/96/58/573889658.db2.gz UWYHFQSMHCRTPG-PWSUYJOCSA-N 1 1 199.338 2.266 10 0 AEAEMO CC(C)C[NH2+][C@H]1CCCc2[nH]ncc21 306352152 573889668 /nfs/dbraw/zinc/88/96/68/573889668.db2.gz YJSTYXLIZBSLIP-JTQLQIEISA-N 1 1 193.294 2.033 10 0 AEAEMO C/C=C\C[N@@H+](C)CCc1nccs1 393568643 573889719 /nfs/dbraw/zinc/88/97/19/573889719.db2.gz RHIZLCJWAKITMD-ARJAWSKDSA-N 1 1 196.319 2.194 10 0 AEAEMO N=C1CC[C@@H](c2ccccc2)C(=[NH2+])N1 238561857 573889753 /nfs/dbraw/zinc/88/97/53/573889753.db2.gz OUDRHLMDJCDMOP-VIFPVBQESA-N 1 1 187.246 2.108 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@@H+](CC1CC1)C(C)C 44178546 573893248 /nfs/dbraw/zinc/89/32/48/573893248.db2.gz UWYHFQSMHCRTPG-JQWIXIFHSA-N 1 1 199.338 2.266 10 0 AEAEMO CC[C@@H](O)[C@H](C)[N@@H+](CC1CC1)C(C)C 44178548 573893508 /nfs/dbraw/zinc/89/35/08/573893508.db2.gz UWYHFQSMHCRTPG-CMPLNLGQSA-N 1 1 199.338 2.266 10 0 AEAEMO CC[C@@H](O)[C@@H](C)n1cc[nH+]c1C(C)C 44184960 573893616 /nfs/dbraw/zinc/89/36/16/573893616.db2.gz NTBMOTFUSBFEER-NXEZZACHSA-N 1 1 196.294 2.338 10 0 AEAEMO C/C=C/C[N@@H+](C)CCc1nccs1 393568645 573893775 /nfs/dbraw/zinc/89/37/75/573893775.db2.gz RHIZLCJWAKITMD-ONEGZZNKSA-N 1 1 196.319 2.194 10 0 AEAEMO CC[C@@H](O)[C@@H](C)[N@@H+](C)CCC(C)C 44178760 573893786 /nfs/dbraw/zinc/89/37/86/573893786.db2.gz AZSXOESKMULRSJ-GHMZBOCLSA-N 1 1 187.327 2.124 10 0 AEAEMO CCCC[N@@H+](C)[C@@](C)(CN)C1(C)CC1 87363551 573895260 /nfs/dbraw/zinc/89/52/60/573895260.db2.gz BTFOYMPIHHAFLH-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[N@@H+](CC1CC1)[C@H]1CCC[C@@H]1O 44299181 573895761 /nfs/dbraw/zinc/89/57/61/573895761.db2.gz SQKSUQKIGLDHAA-RYUDHWBXSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[N@@H+](CC1CC1)[C@@H]1CCC[C@@H]1O 44299177 573896711 /nfs/dbraw/zinc/89/67/11/573896711.db2.gz SQKSUQKIGLDHAA-NEPJUHHUSA-N 1 1 197.322 2.022 10 0 AEAEMO CCN[C@@H](C)C[NH2+][C@H](C)CC(C)C 716347530 573896114 /nfs/dbraw/zinc/89/61/14/573896114.db2.gz ACDUMMNRHJLFPT-MNOVXSKESA-N 1 1 186.343 2.009 10 0 AEAEMO CC[N@@H+](C)Cc1cccc(NC)c1 258990869 573896391 /nfs/dbraw/zinc/89/63/91/573896391.db2.gz LRABFUDJANNZDM-UHFFFAOYSA-N 1 1 178.279 2.180 10 0 AEAEMO CCc1cc([NH+](C)C)cc(C)c1N 84445086 573896613 /nfs/dbraw/zinc/89/66/13/573896613.db2.gz CULCLKSNVONWET-UHFFFAOYSA-N 1 1 178.279 2.206 10 0 AEAEMO CCC[N@H+]1Cc2ccc(NC)cc2C1 259224233 573898035 /nfs/dbraw/zinc/89/80/35/573898035.db2.gz GZBGOUSJNRYWPJ-UHFFFAOYSA-N 1 1 190.290 2.454 10 0 AEAEMO CCN[C@@H](C)C[NH2+][C@@H](C)CC(C)C 716347551 573898049 /nfs/dbraw/zinc/89/80/49/573898049.db2.gz ACDUMMNRHJLFPT-QWRGUYRKSA-N 1 1 186.343 2.009 10 0 AEAEMO CCCNc1nc(NC(C)C)cc[nH+]1 84455010 573898075 /nfs/dbraw/zinc/89/80/75/573898075.db2.gz PYQNLOZJQLLCJN-UHFFFAOYSA-N 1 1 194.282 2.119 10 0 AEAEMO CCCC[C@@H](C)[N@H+]1CC[C@@](C)(O)C1 308460857 573898449 /nfs/dbraw/zinc/89/84/49/573898449.db2.gz HLFQCMFMAJRLEK-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO CCCN[C@H](C)C[NH2+][C@@H](C)C(C)C 716360179 573902008 /nfs/dbraw/zinc/90/20/08/573902008.db2.gz QOWVBSSKXAWHSC-MNOVXSKESA-N 1 1 186.343 2.009 10 0 AEAEMO CCC[NH2+]C[C@@H](C)NCC(C)(C)C 127447831 573902100 /nfs/dbraw/zinc/90/21/00/573902100.db2.gz PLHXMUJHZPMEJE-SNVBAGLBSA-N 1 1 186.343 2.010 10 0 AEAEMO CCCNC[C@@H](C)[NH2+]CC(C)(C)C 127447831 573902105 /nfs/dbraw/zinc/90/21/05/573902105.db2.gz PLHXMUJHZPMEJE-SNVBAGLBSA-N 1 1 186.343 2.010 10 0 AEAEMO CC(C)[C@H]1Nc2ccccc2C[NH2+]1 222788026 573904443 /nfs/dbraw/zinc/90/44/43/573904443.db2.gz FWWMWTVVELFQAL-LLVKDONJSA-N 1 1 176.263 2.184 10 0 AEAEMO N[C@@H]1CCCC[C@@H]1[NH2+]CC1CCCC1 259225278 573904688 /nfs/dbraw/zinc/90/46/88/573904688.db2.gz XVFYDTQVJMMEFE-NEPJUHHUSA-N 1 1 196.338 2.036 10 0 AEAEMO CCCN[C@@H](C)C[NH2+][C@H](C)C(C)C 716360181 573904711 /nfs/dbraw/zinc/90/47/11/573904711.db2.gz QOWVBSSKXAWHSC-WDEREUQCSA-N 1 1 186.343 2.009 10 0 AEAEMO CCCN[C@@H](C)C[NH2+][C@@H](C)C(C)C 716360180 573904865 /nfs/dbraw/zinc/90/48/65/573904865.db2.gz QOWVBSSKXAWHSC-QWRGUYRKSA-N 1 1 186.343 2.009 10 0 AEAEMO CSC[C@@H]1CC[N@H+]([C@@H](C)C2CC2)C1 393570786 573906388 /nfs/dbraw/zinc/90/63/88/573906388.db2.gz XRBFVMRGXARVGP-VHSXEESVSA-N 1 1 199.363 2.470 10 0 AEAEMO CSC[C@H]1CC[N@H+]([C@@H](C)C2CC2)C1 393570785 573906514 /nfs/dbraw/zinc/90/65/14/573906514.db2.gz XRBFVMRGXARVGP-UWVGGRQHSA-N 1 1 199.363 2.470 10 0 AEAEMO CC[N@H+](CCN)[C@H]1C=CCCCCC1 308461490 573906780 /nfs/dbraw/zinc/90/67/80/573906780.db2.gz ROHCIDIFFBCHMH-LBPRGKRZSA-N 1 1 196.338 2.156 10 0 AEAEMO CCCCCN1CC[C@@H]([NH2+]C)C1(C)C 259234093 573906799 /nfs/dbraw/zinc/90/67/99/573906799.db2.gz DMFQEYOZBPBCHE-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCCN1CC[C@H]([NH2+]C)C1(C)C 259234095 573908332 /nfs/dbraw/zinc/90/83/32/573908332.db2.gz DMFQEYOZBPBCHE-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCN[C@H](C)C[N@H+](CC1CC1)C(C)C 44472507 573908345 /nfs/dbraw/zinc/90/83/45/573908345.db2.gz PQCUNYPZVZJUKH-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCN[C@H](C)C[N@@H+](CC1CC1)C(C)C 44472507 573908351 /nfs/dbraw/zinc/90/83/51/573908351.db2.gz PQCUNYPZVZJUKH-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO N[C@H]1CCCC[C@@H]1[NH2+]CC1CCCC1 259228620 573908572 /nfs/dbraw/zinc/90/85/72/573908572.db2.gz XVFYDTQVJMMEFE-RYUDHWBXSA-N 1 1 196.338 2.036 10 0 AEAEMO CSC[C@@H]1CC[N@H+]([C@H](C)C2CC2)C1 393570783 573909051 /nfs/dbraw/zinc/90/90/51/573909051.db2.gz XRBFVMRGXARVGP-NXEZZACHSA-N 1 1 199.363 2.470 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1Cc1cc[nH]c1 306365674 573910304 /nfs/dbraw/zinc/91/03/04/573910304.db2.gz FDOZFJQQPDGSKM-LLVKDONJSA-N 1 1 178.279 2.389 10 0 AEAEMO CCN[C@H](C)C[N@@H+](CC)C1CCCC1 44471989 573910753 /nfs/dbraw/zinc/91/07/53/573910753.db2.gz ASFQSTLQPNUZNG-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CNC[C@H]1CCCC[N@@H+]1CCC(C)C 44412622 573910769 /nfs/dbraw/zinc/91/07/69/573910769.db2.gz CZRUEYKGBHMAON-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CNC[C@H]1CCCC[N@H+]1CCC(C)C 44412622 573910772 /nfs/dbraw/zinc/91/07/72/573910772.db2.gz CZRUEYKGBHMAON-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO Cc1ccc(OC/C=C/Cl)c(N)[nH+]1 235792581 573910985 /nfs/dbraw/zinc/91/09/85/573910985.db2.gz LTSQVKNFVNUNNQ-GORDUTHDSA-N 1 1 198.653 2.104 10 0 AEAEMO C[NH2+][C@@H](c1ccc(Cl)cc1)N(C)C 259239816 573916519 /nfs/dbraw/zinc/91/65/19/573916519.db2.gz BCRDLAIERJLPEE-SNVBAGLBSA-N 1 1 198.697 2.120 10 0 AEAEMO CCC1CCC([N@H+]2CC[C@@H](O)C2)CC1 84837113 573917319 /nfs/dbraw/zinc/91/73/19/573917319.db2.gz TVWBSOPKDDPTCB-HTAVTVPLSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[C@@]1(CO)CCC[N@H+]1C(C)C 308462770 573916952 /nfs/dbraw/zinc/91/69/52/573916952.db2.gz ICJNZQMMQVLWDH-NSHDSACASA-N 1 1 185.311 2.022 10 0 AEAEMO CC(C)CC[N@@H+](C)C[C@@H]([NH3+])CC1CC1 308463066 573917017 /nfs/dbraw/zinc/91/70/17/573917017.db2.gz GWVGJUHJWMPIHF-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)CCN(C)C[C@@H]([NH3+])CC1CC1 308463066 573917024 /nfs/dbraw/zinc/91/70/24/573917024.db2.gz GWVGJUHJWMPIHF-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)CC[N@H+](C)C[C@@H](N)CC1CC1 308463066 573917028 /nfs/dbraw/zinc/91/70/28/573917028.db2.gz GWVGJUHJWMPIHF-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)CC[N@@H+](C)C[C@@H](N)CC1CC1 308463066 573917031 /nfs/dbraw/zinc/91/70/31/573917031.db2.gz GWVGJUHJWMPIHF-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@@H](C[NH3+])C[N@@H+](C)C1CCC1 127563804 573919088 /nfs/dbraw/zinc/91/90/88/573919088.db2.gz YMXUJKDXLWSCRN-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@H](C[NH3+])C[N@@H+](C)C1CCC1 127564044 573918275 /nfs/dbraw/zinc/91/82/75/573918275.db2.gz YMXUJKDXLWSCRN-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@]1(CO)CCC[N@H+]1C(C)C 308462763 573918748 /nfs/dbraw/zinc/91/87/48/573918748.db2.gz ICJNZQMMQVLWDH-LLVKDONJSA-N 1 1 185.311 2.022 10 0 AEAEMO CCCC[N@@H+]1[C@H](CO)CCC[C@H]1C 308464214 573921072 /nfs/dbraw/zinc/92/10/72/573921072.db2.gz IMIAGQKOFLHDAU-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@H](C)[N@H+]1CC(C)(C)NC[C@@H]1CC 84882336 573920358 /nfs/dbraw/zinc/92/03/58/573920358.db2.gz KOFAPOVJXFIRLI-QWRGUYRKSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[N@@H+](C)[C@H](CN)C1(C(C)C)CCC1 686132102 573920434 /nfs/dbraw/zinc/92/04/34/573920434.db2.gz GWSMIYQHRUHXLK-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO CCN(C)[C@H](C[NH3+])C1(C(C)C)CCC1 686132102 573920438 /nfs/dbraw/zinc/92/04/38/573920438.db2.gz GWSMIYQHRUHXLK-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H](CO)[N@@H+](C)[C@@H]1C=CCCCCC1 308463556 573922933 /nfs/dbraw/zinc/92/29/33/573922933.db2.gz UTTNNHNPMWJNSM-NWDGAFQWSA-N 1 1 197.322 2.188 10 0 AEAEMO CCCC[N@H+]1[C@@H](C)CCC[C@@H]1CO 308464216 573922201 /nfs/dbraw/zinc/92/22/01/573922201.db2.gz IMIAGQKOFLHDAU-WDEREUQCSA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@@H]1CNC(C)(C)C[N@H+]1CC(C)C 84859591 573922372 /nfs/dbraw/zinc/92/23/72/573922372.db2.gz NTSDZKQTSZIVCP-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H]([NH2+]C1C2(CC2)C12CC2)C(F)F 715373440 573922478 /nfs/dbraw/zinc/92/24/78/573922478.db2.gz YFFUPTQNYRPONA-ZCFIWIBFSA-N 1 1 187.233 2.172 10 0 AEAEMO CCC[C@@H](CC)[N@@H+](C)[C@@H](CN)C1CC1 233283792 573922481 /nfs/dbraw/zinc/92/24/81/573922481.db2.gz DPIJQBHYTGXFNL-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[N@H+]1CCNCC12CCCCC2 84856542 573922727 /nfs/dbraw/zinc/92/27/27/573922727.db2.gz DVPMYNXHHASHJQ-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO CCC1(CC)CN[C@](C)(CC)C[N@H+]1C 84859681 573922810 /nfs/dbraw/zinc/92/28/10/573922810.db2.gz XGLJKGJNWTXLCL-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC1(CC)C[NH2+][C@](C)(CC)CN1C 84859681 573922812 /nfs/dbraw/zinc/92/28/12/573922812.db2.gz XGLJKGJNWTXLCL-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@@](C)(CC)NC[C@@H]1C 84882343 573922862 /nfs/dbraw/zinc/92/28/62/573922862.db2.gz OAOODVBOIPJMBX-SDDRHHMPSA-N 1 1 198.354 2.247 10 0 AEAEMO Cc1cccc(-c2coc(C[NH3+])n2)c1 257900255 573922866 /nfs/dbraw/zinc/92/28/66/573922866.db2.gz YPKIBVLNGDWBGD-UHFFFAOYSA-N 1 1 188.230 2.109 10 0 AEAEMO CCCC[N@H+]1[C@@H](C)CCC[C@H]1CO 308464215 573923608 /nfs/dbraw/zinc/92/36/08/573923608.db2.gz IMIAGQKOFLHDAU-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO C[C@H](CO)[N@@H+](C)[C@H]1C=CCCCCC1 308463554 573923719 /nfs/dbraw/zinc/92/37/19/573923719.db2.gz UTTNNHNPMWJNSM-NEPJUHHUSA-N 1 1 197.322 2.188 10 0 AEAEMO CC[C@@H]1C[N@@H+](C(C)C)[C@@](C)(CC)CN1 84859620 573924054 /nfs/dbraw/zinc/92/40/54/573924054.db2.gz SRHJUDJTAZJWAE-NEPJUHHUSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H]1CN(C(C)C)[C@@](C)(CC)C[NH2+]1 84859620 573924057 /nfs/dbraw/zinc/92/40/57/573924057.db2.gz SRHJUDJTAZJWAE-NEPJUHHUSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(CC)[N@H+]1CCC[C@H](CO)CC1 393495984 573924156 /nfs/dbraw/zinc/92/41/56/573924156.db2.gz RTXJFTLDFFWHPS-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)[C@H](C)CNc1[nH+]cccc1N 81040548 573926441 /nfs/dbraw/zinc/92/64/41/573926441.db2.gz LSINBUZEMOVDQZ-SECBINFHSA-N 1 1 193.294 2.368 10 0 AEAEMO CCC[N@@H+](CC1CC1)[C@@](C)(CC)CN 42229256 573930211 /nfs/dbraw/zinc/93/02/11/573930211.db2.gz AIGFSDYBOOHNTG-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC1CN(CC[C@@H](C)[NH2+]CC)C1 716421630 573930393 /nfs/dbraw/zinc/93/03/93/573930393.db2.gz ZGUDIMADFISPBT-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CC1(C)C[N@@H+](C(C)(C)C)CC[C@@H]1CO 259243688 573932613 /nfs/dbraw/zinc/93/26/13/573932613.db2.gz LWIZRSHNXIREOT-SNVBAGLBSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](C)C(=O)C[N@@H+](C)C1CCC1 127635061 573931973 /nfs/dbraw/zinc/93/19/73/573931973.db2.gz PSDBYBFLZDATFF-VIFPVBQESA-N 1 1 183.295 2.086 10 0 AEAEMO CCC[N@@H+](CC1CC1)[C@H](C)C(C)=O 42221324 573932116 /nfs/dbraw/zinc/93/21/16/573932116.db2.gz BCTKNLAHVOTWKA-SECBINFHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@@H](C)C(=O)C[N@@H+](C)C1CCC1 127634849 573932332 /nfs/dbraw/zinc/93/23/32/573932332.db2.gz PSDBYBFLZDATFF-SECBINFHSA-N 1 1 183.295 2.086 10 0 AEAEMO C[N@@H+](C[C@H](O)C1CCCC1)C1CCC1 127719771 573932484 /nfs/dbraw/zinc/93/24/84/573932484.db2.gz GGUPRCWYMLPUKA-LBPRGKRZSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H](O)CCCC[N@@H+](C)C1CCC1 127723169 573932532 /nfs/dbraw/zinc/93/25/32/573932532.db2.gz PERSDDFDIWNXHO-SNVBAGLBSA-N 1 1 185.311 2.022 10 0 AEAEMO CCCc1[nH]c(-n2cccc2)c[nH+]1 81140377 573933802 /nfs/dbraw/zinc/93/38/02/573933802.db2.gz LEYGCXZSXLMAGX-UHFFFAOYSA-N 1 1 175.235 2.153 10 0 AEAEMO C[N@@H+](CC[C@@H]1CCCC1=O)C1CCC1 127632113 573933827 /nfs/dbraw/zinc/93/38/27/573933827.db2.gz KWUCLWVJZOXGQJ-JTQLQIEISA-N 1 1 195.306 2.230 10 0 AEAEMO CCCCC[C@@]1(O)C[C@@H](C)[N@@H+](C)C1 127621158 573933022 /nfs/dbraw/zinc/93/30/22/573933022.db2.gz HVGARADZRTYZSL-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[C@H](O)[C@@H](CC)[N@@H+](C)C1CCC1 127718893 573933321 /nfs/dbraw/zinc/93/33/21/573933321.db2.gz VMPHEMORANOXEJ-NEPJUHHUSA-N 1 1 199.338 2.410 10 0 AEAEMO C[N@@H+](C[C@@H](O)C1CCCC1)C1CCC1 127720017 573933416 /nfs/dbraw/zinc/93/34/16/573933416.db2.gz GGUPRCWYMLPUKA-GFCCVEGCSA-N 1 1 197.322 2.022 10 0 AEAEMO Cc1ccc(C(F)(F)[C@@H](C)[NH3+])o1 259017729 573933515 /nfs/dbraw/zinc/93/35/15/573933515.db2.gz CSFHJUSATBBXQW-ZCFIWIBFSA-N 1 1 175.178 2.027 10 0 AEAEMO CCC1(NC2=[NH+]CCO2)CCCCC1 238196946 573933614 /nfs/dbraw/zinc/93/36/14/573933614.db2.gz HUTIMIKGOAABCU-UHFFFAOYSA-N 1 1 196.294 2.075 10 0 AEAEMO Oc1ccc2c(c1)[nH]c1cc[nH+]cc12 259245291 573936943 /nfs/dbraw/zinc/93/69/43/573936943.db2.gz DDCLILLDAFJKPR-UHFFFAOYSA-N 1 1 184.198 2.422 10 0 AEAEMO CC[C@@H](C)[N@@H+]1CCC(C)(C)C(=O)C1 259245767 573937026 /nfs/dbraw/zinc/93/70/26/573937026.db2.gz MALOMCWCVIXZHG-SECBINFHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCC(C)(C)C(=O)C1 259245767 573937031 /nfs/dbraw/zinc/93/70/31/573937031.db2.gz MALOMCWCVIXZHG-SECBINFHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@@H]([NH3+])CC[N@H+]1C[C@@H](C)C[C@@H](C)C1 127768150 573937247 /nfs/dbraw/zinc/93/72/47/573937247.db2.gz IUSQACGNDRGTGH-GRYCIOLGSA-N 1 1 198.354 2.092 10 0 AEAEMO CNc1[nH]cc(-c2cccs2)[nH+]1 259018749 573938266 /nfs/dbraw/zinc/93/82/66/573938266.db2.gz FDEGXPYRLIFEHK-UHFFFAOYSA-N 1 1 179.248 2.180 10 0 AEAEMO CC[C@H]([NH3+])CC[N@H+]1[C@@H](C)CCC[C@H]1C 127770720 573938301 /nfs/dbraw/zinc/93/83/01/573938301.db2.gz NGPCBGWVFUXGML-TUAOUCFPSA-N 1 1 198.354 2.377 10 0 AEAEMO CC[C@@H](CN)[N@H+]1C[C@H](CC)CC[C@H]1C 308468893 573938555 /nfs/dbraw/zinc/93/85/55/573938555.db2.gz IOAYVKVDFPSARG-UTUOFQBUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](CN)[N@H+]1C[C@H](CC)CC[C@@H]1C 308468890 573938917 /nfs/dbraw/zinc/93/89/17/573938917.db2.gz IOAYVKVDFPSARG-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CC[C@@H](C)[N@@H+]([C@H](CC)CN)C1 308468884 573939015 /nfs/dbraw/zinc/93/90/15/573939015.db2.gz IOAYVKVDFPSARG-IJLUTSLNSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@H+](CCNC)CC1CCCC1 42404319 573939893 /nfs/dbraw/zinc/93/98/93/573939893.db2.gz NSMMTTGZFCCQMT-UHFFFAOYSA-N 1 1 198.354 2.108 10 0 AEAEMO CCC[N@@H+](CCNC)CC1CCCC1 42404319 573939896 /nfs/dbraw/zinc/93/98/96/573939896.db2.gz NSMMTTGZFCCQMT-UHFFFAOYSA-N 1 1 198.354 2.108 10 0 AEAEMO CC[C@H](O)[C@@H](C)[N@@H+](C)CC(C)(C)C 45087137 573942028 /nfs/dbraw/zinc/94/20/28/573942028.db2.gz JEVMRQLUDJXWFH-ZJUUUORDSA-N 1 1 187.327 2.124 10 0 AEAEMO C[C@H](N)[C@@H](C)[NH2+]CCC1(C)CCCC1 308470697 573942344 /nfs/dbraw/zinc/94/23/44/573942344.db2.gz BLIHZATUKGYILK-WDEREUQCSA-N 1 1 198.354 2.282 10 0 AEAEMO COC(=[NH2+])CCc1ccccc1 42406944 573942361 /nfs/dbraw/zinc/94/23/61/573942361.db2.gz ABNUKYWBLPPMFM-UHFFFAOYSA-N 1 1 163.220 2.243 10 0 AEAEMO CCc1[nH+]c(C)cn1[C@H](C)CCOC 715077108 573942467 /nfs/dbraw/zinc/94/24/67/573942467.db2.gz QMBVVUVCYALVOP-SNVBAGLBSA-N 1 1 196.294 2.351 10 0 AEAEMO CC[C@H](N)[C@@H](C)[N@@H+](C)CC(C)(C)C 45072551 573942541 /nfs/dbraw/zinc/94/25/41/573942541.db2.gz WTOPYBHJOFQYNK-ZJUUUORDSA-N 1 1 186.343 2.090 10 0 AEAEMO C[N@@H+](CC(C)(C)C)C1(CN)CCCC1 45070609 573943530 /nfs/dbraw/zinc/94/35/30/573943530.db2.gz HYPRMPFNGOYKOH-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H]1CCC1(O)CC1 257907100 573943230 /nfs/dbraw/zinc/94/32/30/573943230.db2.gz FBAIXFXUMKIMAA-LLVKDONJSA-N 1 1 197.322 2.164 10 0 AEAEMO C[N@@H+](CC(C)(C)C)[C@H]1CCC[C@@H]1C[NH3+] 45068284 573943268 /nfs/dbraw/zinc/94/32/68/573943268.db2.gz QNZYYVIRHRLLFG-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H]1CCC1(O)CC1 257907103 573943274 /nfs/dbraw/zinc/94/32/74/573943274.db2.gz FBAIXFXUMKIMAA-NSHDSACASA-N 1 1 197.322 2.164 10 0 AEAEMO C[C@@H](N)[C@@H](C)[NH2+]CCC1(C)CCCC1 308470690 573943296 /nfs/dbraw/zinc/94/32/96/573943296.db2.gz BLIHZATUKGYILK-GHMZBOCLSA-N 1 1 198.354 2.282 10 0 AEAEMO CC(C)NCC[NH2+]C1(C)CCCCC1 45047203 573943321 /nfs/dbraw/zinc/94/33/21/573943321.db2.gz VAFNYDWZAKBXDF-UHFFFAOYSA-N 1 1 198.354 2.297 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+]CCC1(C)CCCC1 308470694 573943353 /nfs/dbraw/zinc/94/33/53/573943353.db2.gz BLIHZATUKGYILK-QWRGUYRKSA-N 1 1 198.354 2.282 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCN[C@@H](CC)C1 223589062 573945190 /nfs/dbraw/zinc/94/51/90/573945190.db2.gz VLJUDFJVYCXTSD-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](C)CN1CC[NH2+][C@@H](CC)C1 223589062 573945195 /nfs/dbraw/zinc/94/51/95/573945195.db2.gz VLJUDFJVYCXTSD-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@](C)(CN)[N@@H+](C)CC(C)(C)C 45070579 573944465 /nfs/dbraw/zinc/94/44/65/573944465.db2.gz HCLXOGRSSNIPHB-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@](C)(CN)[N@@H+](C)CC(C)(C)C 45070582 573944639 /nfs/dbraw/zinc/94/46/39/573944639.db2.gz HCLXOGRSSNIPHB-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO COCC[N@H+](C1CC1)[C@@H](C)C(C)C 308469861 573944877 /nfs/dbraw/zinc/94/48/77/573944877.db2.gz KCPXWJRFUTXVJV-JTQLQIEISA-N 1 1 185.311 2.142 10 0 AEAEMO CC[C@@H](N)C[NH2+]C1(C)CCCCC1 45047272 573944880 /nfs/dbraw/zinc/94/48/80/573944880.db2.gz RAHVNNTZWGWUEV-SNVBAGLBSA-N 1 1 184.327 2.036 10 0 AEAEMO C[N@@H+](CC(C)(C)C)[C@@](C)(CN)C1CC1 45069918 573945058 /nfs/dbraw/zinc/94/50/58/573945058.db2.gz OVEHBOHYPPJAHL-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](O)[C@@H](C)[N@@H+](C)CC(C)(C)C 45087140 573945113 /nfs/dbraw/zinc/94/51/13/573945113.db2.gz JEVMRQLUDJXWFH-NXEZZACHSA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@H](N)C[NH2+]C1(C)CCCCC1 45047271 573945439 /nfs/dbraw/zinc/94/54/39/573945439.db2.gz RAHVNNTZWGWUEV-JTQLQIEISA-N 1 1 184.327 2.036 10 0 AEAEMO C[N@@H+](CC(C)(C)C)[C@](C)(CN)C1CC1 45069922 573946079 /nfs/dbraw/zinc/94/60/79/573946079.db2.gz OVEHBOHYPPJAHL-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)[C@@H](N)C[NH2+]C1(C)CCCCC1 45047263 573945580 /nfs/dbraw/zinc/94/55/80/573945580.db2.gz HTWWSQYMOUXZCN-NSHDSACASA-N 1 1 198.354 2.282 10 0 AEAEMO C[C@H]([NH2+]CCC1(C)CCCC1)[C@@H](C)N 308470692 573945728 /nfs/dbraw/zinc/94/57/28/573945728.db2.gz BLIHZATUKGYILK-MNOVXSKESA-N 1 1 198.354 2.282 10 0 AEAEMO [NH3+]Cc1ncc(C(C2CC2)C2CC2)o1 308470180 573945787 /nfs/dbraw/zinc/94/57/87/573945787.db2.gz JAZBNWJWDQPXQP-UHFFFAOYSA-N 1 1 192.262 2.037 10 0 AEAEMO CC[C@H](CC[NH3+])[N@@H+](C)CC(C)(C)C 45068644 573946095 /nfs/dbraw/zinc/94/60/95/573946095.db2.gz CNXNACWOVJCPRN-SNVBAGLBSA-N 1 1 186.343 2.092 10 0 AEAEMO CC(C)[C@@H](C)c1cccc(N)[nH+]1 238206064 573947459 /nfs/dbraw/zinc/94/74/59/573947459.db2.gz VHBGKABERSJZOK-MRVPVSSYSA-N 1 1 164.252 2.423 10 0 AEAEMO CC[C@H](N)[C@H](C)[N@@H+](C)CC(C)(C)C 45072553 573947074 /nfs/dbraw/zinc/94/70/74/573947074.db2.gz WTOPYBHJOFQYNK-UWVGGRQHSA-N 1 1 186.343 2.090 10 0 AEAEMO CCc1[nH+]c(C)cn1[C@@H](C)CCOC 715077103 573947090 /nfs/dbraw/zinc/94/70/90/573947090.db2.gz QMBVVUVCYALVOP-JTQLQIEISA-N 1 1 196.294 2.351 10 0 AEAEMO C1C[C@H]2[C@H](C1)C[C@@H]1CCC[N@H+]12 257053065 573947096 /nfs/dbraw/zinc/94/70/96/573947096.db2.gz KHNKBRWCAAUREQ-UTLUCORTSA-N 1 1 151.253 2.023 10 0 AEAEMO CC[C@H](CC(N)=[NH2+])[N@@H+](C)CC(C)(C)C 45074248 573947156 /nfs/dbraw/zinc/94/71/56/573947156.db2.gz ZCFWFNQWCPHBFG-SECBINFHSA-N 1 1 199.342 2.069 10 0 AEAEMO CC[C@@H](N)[C@@H](C)[N@@H+](C)CC(C)(C)C 45072552 573947235 /nfs/dbraw/zinc/94/72/35/573947235.db2.gz WTOPYBHJOFQYNK-NXEZZACHSA-N 1 1 186.343 2.090 10 0 AEAEMO COC[N@H+](C)Cc1cc(C)ccc1C 259244538 573947361 /nfs/dbraw/zinc/94/73/61/573947361.db2.gz ZMQBVUSNWPDFSC-UHFFFAOYSA-N 1 1 193.290 2.339 10 0 AEAEMO COC[N@@H+](C)Cc1cc(C)ccc1C 259244538 573947370 /nfs/dbraw/zinc/94/73/70/573947370.db2.gz ZMQBVUSNWPDFSC-UHFFFAOYSA-N 1 1 193.290 2.339 10 0 AEAEMO CCC[C@@H]1CCCC[N@H+]1[C@@H](C)[C@@H](C)N 212993247 573951750 /nfs/dbraw/zinc/95/17/50/573951750.db2.gz HVBSEBRHBCPXEN-GRYCIOLGSA-N 1 1 198.354 2.377 10 0 AEAEMO C[C@H]([NH3+])C[C@@H](c1ccccc1)N(C)C 259249323 573951126 /nfs/dbraw/zinc/95/11/26/573951126.db2.gz BJWADCZQARSKBM-JQWIXIFHSA-N 1 1 192.306 2.027 10 0 AEAEMO C[C@@H]([NH3+])C[C@H](c1ccccc1)N(C)C 259249330 573951219 /nfs/dbraw/zinc/95/12/19/573951219.db2.gz BJWADCZQARSKBM-ZYHUDNBSSA-N 1 1 192.306 2.027 10 0 AEAEMO C[N@H+](CC(C)(C)C)C[C@](C)(N)C1CC1 45089632 573951592 /nfs/dbraw/zinc/95/15/92/573951592.db2.gz IEOBOJYCHSKFAY-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO C[N@@H+](CC(C)(C)C)C[C@](C)(N)C1CC1 45089632 573951598 /nfs/dbraw/zinc/95/15/98/573951598.db2.gz IEOBOJYCHSKFAY-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC1CCN(C[C@H]([NH3+])C(C)C)CC1 42447414 573953262 /nfs/dbraw/zinc/95/32/62/573953262.db2.gz JTOAJXIFZCPLGU-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC1CC[NH+](C[C@H](N)C(C)C)CC1 42447414 573953265 /nfs/dbraw/zinc/95/32/65/573953265.db2.gz JTOAJXIFZCPLGU-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CCNc1cc(C)[nH+]c(CC2CC2)n1 87583444 573953362 /nfs/dbraw/zinc/95/33/62/573953362.db2.gz NHQFHTXLKZTCEY-UHFFFAOYSA-N 1 1 191.278 2.169 10 0 AEAEMO CCC1CCN([C@@H](C)[C@H]([NH3+])CC)CC1 42446677 573953477 /nfs/dbraw/zinc/95/34/77/573953477.db2.gz MLZWJXHLXNYIJQ-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC1CCN([C@H](C[NH3+])C(C)C)CC1 42446516 573953506 /nfs/dbraw/zinc/95/35/06/573953506.db2.gz CQMVUIIAJLQLQG-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO C[N@@H+](CC(C)(C)C)[C@@H](CN)C1CCC1 87584929 573953802 /nfs/dbraw/zinc/95/38/02/573953802.db2.gz XUCVNGGOGUCYPQ-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)CC[N@@H+](C)[C@@H](CN)C1CCC1 87584851 573953812 /nfs/dbraw/zinc/95/38/12/573953812.db2.gz BVAOQQDVJITWED-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCCC[N@@H+](CCN)C1CCCC1 42428139 573953888 /nfs/dbraw/zinc/95/38/88/573953888.db2.gz CIYPJEJDQQHJBK-UHFFFAOYSA-N 1 1 198.354 2.380 10 0 AEAEMO CCC1CCN([C@@](C)(CC)C[NH3+])CC1 42446386 573953934 /nfs/dbraw/zinc/95/39/34/573953934.db2.gz GYNAOYVFQJQCCU-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@H]1CC1(O)CC1 258189851 573954496 /nfs/dbraw/zinc/95/44/96/573954496.db2.gz YOVHBXYZFGBHFN-NSHDSACASA-N 1 1 197.322 2.164 10 0 AEAEMO CCC1CCN([C@H](C)[C@@H]([NH3+])CC)CC1 42446683 573954780 /nfs/dbraw/zinc/95/47/80/573954780.db2.gz MLZWJXHLXNYIJQ-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@H](C)[C@H](O)C1 299916779 573954988 /nfs/dbraw/zinc/95/49/88/573954988.db2.gz SROCLTSTWMBNFK-SDDRHHMPSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)N(C)c1cc(Cl)cc(N)[nH+]1 238208816 573955027 /nfs/dbraw/zinc/95/50/27/573955027.db2.gz NNPJITBBWDUDKZ-UHFFFAOYSA-N 1 1 199.685 2.162 10 0 AEAEMO C[NH2+][C@H](c1ccco1)c1cncs1 87574487 573955110 /nfs/dbraw/zinc/95/51/10/573955110.db2.gz GYRZJKSWIBMGGO-SECBINFHSA-N 1 1 194.259 2.045 10 0 AEAEMO C[NH2+][C@@H](c1ccco1)c1cncs1 87574486 573955206 /nfs/dbraw/zinc/95/52/06/573955206.db2.gz GYRZJKSWIBMGGO-VIFPVBQESA-N 1 1 194.259 2.045 10 0 AEAEMO CCn1cc(C)[nH+]c1N1CCCCC1 257911759 573955219 /nfs/dbraw/zinc/95/52/19/573955219.db2.gz PWXKVJLRPDTKEH-UHFFFAOYSA-N 1 1 193.294 2.202 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@@H]1CC1(O)CC1 258189849 573955286 /nfs/dbraw/zinc/95/52/86/573955286.db2.gz YOVHBXYZFGBHFN-LLVKDONJSA-N 1 1 197.322 2.164 10 0 AEAEMO C[N@@H+](CC1(CO)CCCC1)C1CCC1 127860765 573957717 /nfs/dbraw/zinc/95/77/17/573957717.db2.gz KJXGVNRBVJWMHX-UHFFFAOYSA-N 1 1 197.322 2.023 10 0 AEAEMO CC(=O)CC[N@H+](C)[C@@H]1CCC[C@@H](C)C1 42493822 573957882 /nfs/dbraw/zinc/95/78/82/573957882.db2.gz DYLHGWARCQIZQO-ZYHUDNBSSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@H](CN)[N@@H+](C)CC1CCCCC1 42492151 573957900 /nfs/dbraw/zinc/95/79/00/573957900.db2.gz RQCBVKAWKGGFRJ-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[C@H](N)C[NH2+][C@@H]1CCC1(C)C 308471745 573957952 /nfs/dbraw/zinc/95/79/52/573957952.db2.gz BXDYXQCVVAAVMH-WDEREUQCSA-N 1 1 198.354 2.282 10 0 AEAEMO CCC(CC)(CO)C[N@@H+](C)C1CCC1 127856784 573958625 /nfs/dbraw/zinc/95/86/25/573958625.db2.gz NYYSOXNVSRERNR-UHFFFAOYSA-N 1 1 199.338 2.269 10 0 AEAEMO CCCC[N@H+](C1CC1)[C@H](C)C(C)=O 42490802 573958741 /nfs/dbraw/zinc/95/87/41/573958741.db2.gz DLWKPYOXZHDHHX-SECBINFHSA-N 1 1 183.295 2.228 10 0 AEAEMO CCC[C@@](C)(CO)C[N@@H+](C)C1CCC1 127865948 573958793 /nfs/dbraw/zinc/95/87/93/573958793.db2.gz QQXZGHZGEHFYCY-GFCCVEGCSA-N 1 1 199.338 2.269 10 0 AEAEMO CCCCN(C[C@H]([NH3+])C(C)C)C1CC1 42491314 573958900 /nfs/dbraw/zinc/95/89/00/573958900.db2.gz OZURPIBUOGFUIO-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[N@H+](C[C@H](N)C(C)C)C1CC1 42491314 573958904 /nfs/dbraw/zinc/95/89/04/573958904.db2.gz OZURPIBUOGFUIO-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[N@@H+](C[C@H](N)C(C)C)C1CC1 42491314 573958906 /nfs/dbraw/zinc/95/89/06/573958906.db2.gz OZURPIBUOGFUIO-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]([C@@H](C)N)[N@@H+](C)CC1CCCCC1 42492779 573959065 /nfs/dbraw/zinc/95/90/65/573959065.db2.gz AIEYRHUYXUIFPV-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]([C@@H](C)[NH3+])N(C)CC1CCCCC1 42492779 573959068 /nfs/dbraw/zinc/95/90/68/573959068.db2.gz AIEYRHUYXUIFPV-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H](N)[C@H](C)[N@@H+](C)CC1CCCCC1 42492778 573959157 /nfs/dbraw/zinc/95/91/57/573959157.db2.gz AIEYRHUYXUIFPV-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]([NH3+])[C@H](C)N(C)CC1CCCCC1 42492778 573959162 /nfs/dbraw/zinc/95/91/62/573959162.db2.gz AIEYRHUYXUIFPV-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+](CC1CC1)[C@@H]1CCCC1=O 42490756 573959183 /nfs/dbraw/zinc/95/91/83/573959183.db2.gz OVTLHKPMQPADAF-LLVKDONJSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@H](N)[C@@H](C)[N@@H+](C)CC1CCCCC1 42492776 573959274 /nfs/dbraw/zinc/95/92/74/573959274.db2.gz AIEYRHUYXUIFPV-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]([NH3+])[C@@H](C)N(C)CC1CCCCC1 42492776 573959281 /nfs/dbraw/zinc/95/92/81/573959281.db2.gz AIEYRHUYXUIFPV-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO C[N@@H+](CC[C@H](O)C(C)(C)C)C1CCC1 127859317 573959355 /nfs/dbraw/zinc/95/93/55/573959355.db2.gz QSGXYURCNIYVCG-NSHDSACASA-N 1 1 199.338 2.268 10 0 AEAEMO CC[NH2+]C[C@H](CC)N1CC[C@@H](CC)C1 127788792 573962736 /nfs/dbraw/zinc/96/27/36/573962736.db2.gz VTKVSGCHPBPJKR-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](N)[C@@H](C)[N@@H+](CC(C)C)C1CC1 42556493 573969272 /nfs/dbraw/zinc/96/92/72/573969272.db2.gz IDDLKTIVUOHHKI-PWSUYJOCSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@H]([NH3+])[C@@H](C)N(CC(C)C)C1CC1 42556493 573969274 /nfs/dbraw/zinc/96/92/74/573969274.db2.gz IDDLKTIVUOHHKI-PWSUYJOCSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@@H](N)[C@@H](C)[N@@H+](CC(C)C)C1CC1 42556496 573969575 /nfs/dbraw/zinc/96/95/75/573969575.db2.gz IDDLKTIVUOHHKI-ZYHUDNBSSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@@H]([NH3+])[C@@H](C)N(CC(C)C)C1CC1 42556496 573969580 /nfs/dbraw/zinc/96/95/80/573969580.db2.gz IDDLKTIVUOHHKI-ZYHUDNBSSA-N 1 1 198.354 2.233 10 0 AEAEMO CCCCC[N@@H+](C(C)C)[C@@H](C)CN 42554768 573969750 /nfs/dbraw/zinc/96/97/50/573969750.db2.gz UTYBITUIYGSTFJ-NSHDSACASA-N 1 1 186.343 2.234 10 0 AEAEMO CC(C)C[N@H+](C1CC1)[C@@H](CN)C(C)C 42555234 573969889 /nfs/dbraw/zinc/96/98/89/573969889.db2.gz MRZISCONFDUGDW-LBPRGKRZSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC[C@H](CN)[N@@H+](CC(C)C)C1CC1 42555255 573970014 /nfs/dbraw/zinc/97/00/14/573970014.db2.gz YYHWADMUAURZMQ-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(=O)CC[N@H+](CC(C)C)C1CC1 42558376 573970024 /nfs/dbraw/zinc/97/00/24/573970024.db2.gz MVSVXKAGNFLHSC-UHFFFAOYSA-N 1 1 183.295 2.086 10 0 AEAEMO CCCCc1[nH]cc(C)[nH+]1 81915420 573972124 /nfs/dbraw/zinc/97/21/24/573972124.db2.gz PRVLWKMLAPTNIR-UHFFFAOYSA-N 1 1 138.214 2.061 10 0 AEAEMO CC(=O)C(C)(C)C[N@H+](C)C1CCC1 127818867 573975196 /nfs/dbraw/zinc/97/51/96/573975196.db2.gz VGLPOKSDLVQKNC-UHFFFAOYSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)C[C@H](C)[N@H+](C)C1CCNCC1 42584340 573975904 /nfs/dbraw/zinc/97/59/04/573975904.db2.gz XEVJNDZSNWVBBS-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)C1CCNCC1 42584340 573975909 /nfs/dbraw/zinc/97/59/09/573975909.db2.gz XEVJNDZSNWVBBS-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)[C@@H]1CCCC1=O 42586647 573978730 /nfs/dbraw/zinc/97/87/30/573978730.db2.gz JIARRXKJKRLYCM-WDEREUQCSA-N 1 1 197.322 2.474 10 0 AEAEMO CCC[N@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 238221957 573977975 /nfs/dbraw/zinc/97/79/75/573977975.db2.gz MPXYRTLWGMMJLO-MNOVXSKESA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)C[C@@H](C)[N@@H+](C)[C@@H]1CCCC1=O 42586644 573978205 /nfs/dbraw/zinc/97/82/05/573978205.db2.gz JIARRXKJKRLYCM-GHMZBOCLSA-N 1 1 197.322 2.474 10 0 AEAEMO CCC[N@H+]1CCC(=O)[C@H]2CCCC[C@@H]21 238221969 573978228 /nfs/dbraw/zinc/97/82/28/573978228.db2.gz MPXYRTLWGMMJLO-QWRGUYRKSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)C[N@H+](C(C)C)C1CCNCC1 42584379 573979735 /nfs/dbraw/zinc/97/97/35/573979735.db2.gz PVVVXKROXJRSCO-UHFFFAOYSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[N@@H+](C(C)C)C1CCNCC1 42584379 573979742 /nfs/dbraw/zinc/97/97/42/573979742.db2.gz PVVVXKROXJRSCO-UHFFFAOYSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(=O)[C@@H]([NH3+])c1ccccc1Cl 238225310 573983892 /nfs/dbraw/zinc/98/38/92/573983892.db2.gz QPMUQAYSKHHGMD-JTQLQIEISA-N 1 1 197.665 2.319 10 0 AEAEMO CC[C@@H](N)[C@H](C)[N@@H+](CC1CC1)C(C)C 42581917 573983912 /nfs/dbraw/zinc/98/39/12/573983912.db2.gz XWXBHFFOMATGCG-CMPLNLGQSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[C@@H](C)[N@@H+](C)[C@@H]1CCC[C@@H]1N 42581015 573984013 /nfs/dbraw/zinc/98/40/13/573984013.db2.gz YNQNOLKNPANGRI-GRYCIOLGSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@H](N)[C@H](C)[N@@H+](CC1CC1)C(C)C 42581914 573983347 /nfs/dbraw/zinc/98/33/47/573983347.db2.gz XWXBHFFOMATGCG-JQWIXIFHSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)[C@@H]1CCC[C@@H]1N 42581018 573983498 /nfs/dbraw/zinc/98/34/98/573983498.db2.gz YNQNOLKNPANGRI-SDDRHHMPSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[C@H](C)N(C)[C@@H]1CCC[C@@H]1[NH3+] 42581018 573983502 /nfs/dbraw/zinc/98/35/02/573983502.db2.gz YNQNOLKNPANGRI-SDDRHHMPSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)[C@H](C)c1cccc(N)[nH+]1 238225432 573983521 /nfs/dbraw/zinc/98/35/21/573983521.db2.gz VHBGKABERSJZOK-QMMMGPOBSA-N 1 1 164.252 2.423 10 0 AEAEMO CC[N@@H+](C)CCc1ccc(C)o1 259031835 573983583 /nfs/dbraw/zinc/98/35/83/573983583.db2.gz IFEMHHILOSRTIH-UHFFFAOYSA-N 1 1 167.252 2.082 10 0 AEAEMO CC(C)C[C@@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)N 42580791 573983743 /nfs/dbraw/zinc/98/37/43/573983743.db2.gz LYYFGZSRINOAGO-MXWKQRLJSA-N 1 1 186.343 2.089 10 0 AEAEMO CC(C)C[C@@H](C)N(C)[C@@H](C)[C@@H](C)[NH3+] 42580791 573983747 /nfs/dbraw/zinc/98/37/47/573983747.db2.gz LYYFGZSRINOAGO-MXWKQRLJSA-N 1 1 186.343 2.089 10 0 AEAEMO CC[C@H](CN)[N@@H+](C)[C@@H](C)CC(C)C 42563537 573986003 /nfs/dbraw/zinc/98/60/03/573986003.db2.gz HAABBTLZPRMMTG-WDEREUQCSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](CN)[N@@H+](CC(C)C)C(C)C 42579668 573986046 /nfs/dbraw/zinc/98/60/46/573986046.db2.gz COOGOVGIYBPZAF-LLVKDONJSA-N 1 1 186.343 2.090 10 0 AEAEMO CC(C)C[N@@H+](C(C)C)[C@H](C)[C@@H](C)N 42581455 573986166 /nfs/dbraw/zinc/98/61/66/573986166.db2.gz KCFVUQJZTDNREF-GHMZBOCLSA-N 1 1 186.343 2.089 10 0 AEAEMO CC(C)C[N@@H+](C(C)C)[C@H](CN)C1CC1 42579380 573986190 /nfs/dbraw/zinc/98/61/90/573986190.db2.gz CKGZQUWZIIAFPX-GFCCVEGCSA-N 1 1 198.354 2.090 10 0 AEAEMO CC1(C)C[NH2+][C@@H](c2ccccn2)S1 238226392 573987129 /nfs/dbraw/zinc/98/71/29/573987129.db2.gz ACMVUFRKYQELQX-SECBINFHSA-N 1 1 194.303 2.195 10 0 AEAEMO CC[C@H]1C[C@H]1[NH2+]Cc1nc(C)c(C)o1 234103512 573989669 /nfs/dbraw/zinc/98/96/69/573989669.db2.gz ZGQANEYTUHGKRT-VHSXEESVSA-N 1 1 194.278 2.180 10 0 AEAEMO CCC1(CC)C[NH2+]CC(F)(F)C1 238226187 573989154 /nfs/dbraw/zinc/98/91/54/573989154.db2.gz ZQQWILWKXJCVSN-UHFFFAOYSA-N 1 1 177.238 2.421 10 0 AEAEMO CCCCC[N@@H+](C)CCC[C@H](C)O 45619651 573992640 /nfs/dbraw/zinc/99/26/40/573992640.db2.gz KATMGFMNWFKIKL-NSHDSACASA-N 1 1 187.327 2.269 10 0 AEAEMO CC(C)C[N@@H+](C)CCCC[C@H](C)O 45619589 573992653 /nfs/dbraw/zinc/99/26/53/573992653.db2.gz XOFOEQGNLSRAMF-NSHDSACASA-N 1 1 187.327 2.125 10 0 AEAEMO C[C@@H]1CCC[C@@H](C)[NH+]1[C@@H]1CCCNC1 82238099 573992803 /nfs/dbraw/zinc/99/28/03/573992803.db2.gz ZNNVSLRSXBBOSV-IJLUTSLNSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@H]1CCC[C@@H](C)[N@@H+]1[C@@H]1CCCNC1 82238097 573992831 /nfs/dbraw/zinc/99/28/31/573992831.db2.gz ZNNVSLRSXBBOSV-GRYCIOLGSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@H]1CCC[C@@H](C)[N@H+]1[C@@H]1CCCNC1 82238097 573992836 /nfs/dbraw/zinc/99/28/36/573992836.db2.gz ZNNVSLRSXBBOSV-GRYCIOLGSA-N 1 1 196.338 2.001 10 0 AEAEMO CCCC[N@@H+](C)CCCC[C@@H](C)O 45619212 573992901 /nfs/dbraw/zinc/99/29/01/573992901.db2.gz MDHZCVMYAADPRQ-LLVKDONJSA-N 1 1 187.327 2.269 10 0 AEAEMO CC[C@H](C)[N@@H+](C)CCCC[C@@H](C)O 45619478 573994020 /nfs/dbraw/zinc/99/40/20/573994020.db2.gz RCHKKRIYVVLWCZ-WDEREUQCSA-N 1 1 187.327 2.268 10 0 AEAEMO CCC[C@H]1N[C@H](C)CC(C)(C)[N@@H+]1C 238233860 573993400 /nfs/dbraw/zinc/99/34/00/573993400.db2.gz IQDALTRLOGNDNZ-ZJUUUORDSA-N 1 1 184.327 2.205 10 0 AEAEMO CCC[C@H]1N[C@H](C)CC(C)(C)[N@H+]1C 238233860 573993406 /nfs/dbraw/zinc/99/34/06/573993406.db2.gz IQDALTRLOGNDNZ-ZJUUUORDSA-N 1 1 184.327 2.205 10 0 AEAEMO Cc1cc(C(=O)C[NH3+])ccc1C(C)C 238234051 573993487 /nfs/dbraw/zinc/99/34/87/573993487.db2.gz LQAGWHWYIZODKK-UHFFFAOYSA-N 1 1 191.274 2.260 10 0 AEAEMO CCC(=O)[C@H]([NH3+])c1ccccc1Cl 238232606 573993526 /nfs/dbraw/zinc/99/35/26/573993526.db2.gz QPMUQAYSKHHGMD-SNVBAGLBSA-N 1 1 197.665 2.319 10 0 AEAEMO CC[C@H]([NH3+])CC[N@H+]1C[C@H](C)CC[C@@H]1C 127918627 573993550 /nfs/dbraw/zinc/99/35/50/573993550.db2.gz LEZPNRFXNPRQBA-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[N@@H+](C)CCCC[C@H](C)O 45619214 573993725 /nfs/dbraw/zinc/99/37/25/573993725.db2.gz MDHZCVMYAADPRQ-NSHDSACASA-N 1 1 187.327 2.269 10 0 AEAEMO CCCCC[N@@H+](C)CCC[C@@H](C)O 45619648 573993780 /nfs/dbraw/zinc/99/37/80/573993780.db2.gz KATMGFMNWFKIKL-LLVKDONJSA-N 1 1 187.327 2.269 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)CCCC[C@@H](C)O 45619475 573993818 /nfs/dbraw/zinc/99/38/18/573993818.db2.gz RCHKKRIYVVLWCZ-GHMZBOCLSA-N 1 1 187.327 2.268 10 0 AEAEMO C[C@H](O)CCCC[N@@H+](C)C1CCCC1 45619554 573993834 /nfs/dbraw/zinc/99/38/34/573993834.db2.gz GAMDSBWQLQZUSA-NSHDSACASA-N 1 1 199.338 2.412 10 0 AEAEMO Cc1ccc(Cc2[nH]cc[nH+]2)cc1 104472068 573995240 /nfs/dbraw/zinc/99/52/40/573995240.db2.gz SBQBQLWYPUWSGL-UHFFFAOYSA-N 1 1 172.231 2.309 10 0 AEAEMO CC[C@@H]([NH3+])CC[N@H+]1CCC[C@@H]1C(C)C 127919303 573995271 /nfs/dbraw/zinc/99/52/71/573995271.db2.gz WCBSTRHWBHNOCJ-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]1CCC[N@H+]1CCCC[C@@H](C)O 45618888 573994609 /nfs/dbraw/zinc/99/46/09/573994609.db2.gz PKDFAKGZGMIUFU-NEPJUHHUSA-N 1 1 199.338 2.412 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@@H]1C1(N)CCC1 258197170 573994961 /nfs/dbraw/zinc/99/49/61/573994961.db2.gz YZMGMPBMTKXJBF-LLVKDONJSA-N 1 1 196.338 2.131 10 0 AEAEMO CC(C)N1CCCC[C@@H]1C1([NH3+])CCC1 258197170 573994963 /nfs/dbraw/zinc/99/49/63/573994963.db2.gz YZMGMPBMTKXJBF-LLVKDONJSA-N 1 1 196.338 2.131 10 0 AEAEMO CC(C)C[N@H+]1C[C@H](CCO)CC1(C)C 259263465 573995015 /nfs/dbraw/zinc/99/50/15/573995015.db2.gz FTZFHVZLVHHLME-LLVKDONJSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)C[N@H+]1C[C@@H](CCO)CC1(C)C 259263468 573995039 /nfs/dbraw/zinc/99/50/39/573995039.db2.gz FTZFHVZLVHHLME-NSHDSACASA-N 1 1 199.338 2.125 10 0 AEAEMO CN[C@@H]1CC[N@H+](C2CCCC2)C1(C)C 259300103 573997949 /nfs/dbraw/zinc/99/79/49/573997949.db2.gz HLEUGAXHRXEUEN-LLVKDONJSA-N 1 1 196.338 2.001 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)CC(C)(C)N 42592997 574000784 /nfs/dbraw/zinc/00/07/84/574000784.db2.gz DBVDGQGGHFSTPW-JTQLQIEISA-N 1 1 186.343 2.090 10 0 AEAEMO CC(C)C[C@H](C)N(C)CC(C)(C)[NH3+] 42592997 574000788 /nfs/dbraw/zinc/00/07/88/574000788.db2.gz DBVDGQGGHFSTPW-JTQLQIEISA-N 1 1 186.343 2.090 10 0 AEAEMO C[N@@H+](C1CCCCCC1)C1CC(N)C1 87653274 574002625 /nfs/dbraw/zinc/00/26/25/574002625.db2.gz DHAYNKCVHPEZDI-UHFFFAOYSA-N 1 1 196.338 2.131 10 0 AEAEMO C[N@H+](C1CCCCCC1)C1CC(N)C1 87653274 574002632 /nfs/dbraw/zinc/00/26/32/574002632.db2.gz DHAYNKCVHPEZDI-UHFFFAOYSA-N 1 1 196.338 2.131 10 0 AEAEMO CNC(C)(C)[C@@H]([NH2+]C)C1CCCCC1 259591498 574004201 /nfs/dbraw/zinc/00/42/01/574004201.db2.gz XUDHARBJFLHVBB-NSHDSACASA-N 1 1 198.354 2.153 10 0 AEAEMO CC[N@@H+](C)C[C@H]1CNc2ccccc21 87655700 574004813 /nfs/dbraw/zinc/00/48/13/574004813.db2.gz HSXIYOJHFBVQON-SNVBAGLBSA-N 1 1 190.290 2.147 10 0 AEAEMO C[C@H]1CN[C@H](C)CC[N@H+]1C1CCCC1 251668562 574004830 /nfs/dbraw/zinc/00/48/30/574004830.db2.gz LJOWEFKPFSTXSL-MNOVXSKESA-N 1 1 196.338 2.001 10 0 AEAEMO COC1C[C@@H]2CC[C@H](C1)[N@H+]2CC1CC1 585379215 574005109 /nfs/dbraw/zinc/00/51/09/574005109.db2.gz GTUPKHXCFXYXPO-FOSCPWQOSA-N 1 1 195.306 2.038 10 0 AEAEMO C[C@H]1CC[N@@H+](C2CCCC2)[C@@H](C)CN1 251668565 574005208 /nfs/dbraw/zinc/00/52/08/574005208.db2.gz LJOWEFKPFSTXSL-QWRGUYRKSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[N@@H+](C)C[C@@H]1CNc2ccccc21 87655699 574005311 /nfs/dbraw/zinc/00/53/11/574005311.db2.gz HSXIYOJHFBVQON-JTQLQIEISA-N 1 1 190.290 2.147 10 0 AEAEMO CC[C@@H]1CCCCC[N@H+]1[C@@H](C)CC[NH3+] 128035197 574007505 /nfs/dbraw/zinc/00/75/05/574007505.db2.gz FBYUXGFOZUYOQA-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC(CC)[N@H+]1CC[C@@H](O)C[C@H]1C 642825584 574010985 /nfs/dbraw/zinc/01/09/85/574010985.db2.gz VOSCKWUHJYCADY-MWLCHTKSSA-N 1 1 185.311 2.020 10 0 AEAEMO CC(C)NCC[NH2+][C@H](C)C1CCCC1 393654994 574011080 /nfs/dbraw/zinc/01/10/80/574011080.db2.gz FSPNDXRCEVNVFJ-LLVKDONJSA-N 1 1 198.354 2.153 10 0 AEAEMO CCCC[C@H]1NCC[N@@H+]2CCCC[C@@H]12 238247553 574011229 /nfs/dbraw/zinc/01/12/29/574011229.db2.gz RTCLNUCZKRXOIO-NEPJUHHUSA-N 1 1 196.338 2.003 10 0 AEAEMO CCCC[C@H]1NCC[N@H+]2CCCC[C@@H]12 238247553 574011233 /nfs/dbraw/zinc/01/12/33/574011233.db2.gz RTCLNUCZKRXOIO-NEPJUHHUSA-N 1 1 196.338 2.003 10 0 AEAEMO Cc1ccc([C@H]([NH3+])C(F)F)cc1F 87687365 574011278 /nfs/dbraw/zinc/01/12/78/574011278.db2.gz WHWOWRGAFVVSDU-QMMMGPOBSA-N 1 1 189.180 2.399 10 0 AEAEMO Cc1ccc([C@@H]([NH3+])C(F)F)cc1F 87687366 574011424 /nfs/dbraw/zinc/01/14/24/574011424.db2.gz WHWOWRGAFVVSDU-MRVPVSSYSA-N 1 1 189.180 2.399 10 0 AEAEMO CC(C)C[N@@H+](C(C)C)[C@@H]1CCCC1=O 42587753 574011451 /nfs/dbraw/zinc/01/14/51/574011451.db2.gz HZWROSNKQNDHFE-LLVKDONJSA-N 1 1 197.322 2.474 10 0 AEAEMO Cc1cc([C@@H]([NH3+])C(F)F)ccc1F 87687476 574011823 /nfs/dbraw/zinc/01/18/23/574011823.db2.gz VGLGPXAAGINYHC-MRVPVSSYSA-N 1 1 189.180 2.399 10 0 AEAEMO c1ccn(Cc2c[nH+]cn2C2CC2)c1 85193038 574012282 /nfs/dbraw/zinc/01/22/82/574012282.db2.gz GLVZXMPIDKWKKF-UHFFFAOYSA-N 1 1 187.246 2.068 10 0 AEAEMO CC(C)[N@@H+](CC1CC1)[C@@H]1CCCC1=O 42588066 574012928 /nfs/dbraw/zinc/01/29/28/574012928.db2.gz PBPJHUQFEAPZQL-LLVKDONJSA-N 1 1 195.306 2.228 10 0 AEAEMO CC(C)n1c[nH+]cc1Cn1cccc1 85192845 574012931 /nfs/dbraw/zinc/01/29/31/574012931.db2.gz XUSVVFONPYUJOB-UHFFFAOYSA-N 1 1 189.262 2.314 10 0 AEAEMO CCCC[C@H]([NH2+]C)C(F)F 87687649 574013445 /nfs/dbraw/zinc/01/34/45/574013445.db2.gz VNVHPXLTNOZFKE-LURJTMIESA-N 1 1 151.200 2.030 10 0 AEAEMO [NH3+][C@@]1(C(F)F)CCCc2ccccc21 87688142 574013519 /nfs/dbraw/zinc/01/35/19/574013519.db2.gz ZSLZMDIHASRPDE-NSHDSACASA-N 1 1 197.228 2.442 10 0 AEAEMO C[C@]([NH3+])(c1ccccc1)C(F)F 87688240 574014318 /nfs/dbraw/zinc/01/43/18/574014318.db2.gz NYHJMANWKFWHAE-VIFPVBQESA-N 1 1 171.190 2.126 10 0 AEAEMO C[C@@]([NH3+])(c1ccccc1)C(F)F 87688239 574014505 /nfs/dbraw/zinc/01/45/05/574014505.db2.gz NYHJMANWKFWHAE-SECBINFHSA-N 1 1 171.190 2.126 10 0 AEAEMO CCCC[C@@H]([NH2+]C)C(F)F 87687650 574014513 /nfs/dbraw/zinc/01/45/13/574014513.db2.gz VNVHPXLTNOZFKE-ZCFIWIBFSA-N 1 1 151.200 2.030 10 0 AEAEMO Cc1ccc([C@@](C)([NH3+])C(F)F)cc1 87688042 574014531 /nfs/dbraw/zinc/01/45/31/574014531.db2.gz MDPLGMNJPUZADE-SNVBAGLBSA-N 1 1 185.217 2.434 10 0 AEAEMO Cc1ccccc1[C@@](C)([NH3+])C(F)F 87687971 574014735 /nfs/dbraw/zinc/01/47/35/574014735.db2.gz JBSKMHFEDMNKHX-SNVBAGLBSA-N 1 1 185.217 2.434 10 0 AEAEMO C[NH2+]C1(C(F)F)Cc2ccccc2C1 87688815 574014890 /nfs/dbraw/zinc/01/48/90/574014890.db2.gz SNGLJEOTKVGKMC-UHFFFAOYSA-N 1 1 197.228 2.009 10 0 AEAEMO Cc1cc(F)ccc1[C@H]([NH3+])C(F)F 87688270 574014926 /nfs/dbraw/zinc/01/49/26/574014926.db2.gz ITEOMQUEKQIBFG-QMMMGPOBSA-N 1 1 189.180 2.399 10 0 AEAEMO Cc1ccc([C@](C)([NH3+])C(F)F)cc1 87688041 574016339 /nfs/dbraw/zinc/01/63/39/574016339.db2.gz MDPLGMNJPUZADE-JTQLQIEISA-N 1 1 185.217 2.434 10 0 AEAEMO Cc1cccc([C@@](C)([NH3+])C(F)F)c1 87688090 574016386 /nfs/dbraw/zinc/01/63/86/574016386.db2.gz ZBLOVQPTGAZYQI-SNVBAGLBSA-N 1 1 185.217 2.434 10 0 AEAEMO [NH3+][C@H](c1cc(O)c(F)c(F)c1)C1CC1 104502018 574016664 /nfs/dbraw/zinc/01/66/64/574016664.db2.gz KQSIWRBVCUQFFH-JTQLQIEISA-N 1 1 199.200 2.080 10 0 AEAEMO [NH3+][C@@H](c1cc(O)c(F)c(F)c1)C1CC1 104502014 574016683 /nfs/dbraw/zinc/01/66/83/574016683.db2.gz KQSIWRBVCUQFFH-SNVBAGLBSA-N 1 1 199.200 2.080 10 0 AEAEMO Cc1cccc([C@](C)([NH3+])C(F)F)c1 87688089 574016807 /nfs/dbraw/zinc/01/68/07/574016807.db2.gz ZBLOVQPTGAZYQI-JTQLQIEISA-N 1 1 185.217 2.434 10 0 AEAEMO Cc1ccccc1[C@](C)([NH3+])C(F)F 87687970 574016870 /nfs/dbraw/zinc/01/68/70/574016870.db2.gz JBSKMHFEDMNKHX-JTQLQIEISA-N 1 1 185.217 2.434 10 0 AEAEMO CC(=O)[C@@H]([NH3+])c1coc2ccccc12 104503589 574017742 /nfs/dbraw/zinc/01/77/42/574017742.db2.gz JKQOTYNBALXCCY-LLVKDONJSA-N 1 1 189.214 2.022 10 0 AEAEMO Cc1ccc(N[C@H]2CC23CC3)[nH+]c1 715222011 574018118 /nfs/dbraw/zinc/01/81/18/574018118.db2.gz HNBLRKNEZMXSGO-VIFPVBQESA-N 1 1 174.247 2.354 10 0 AEAEMO CC(=O)[C@H]([NH3+])c1cccc(Cl)c1C 104504743 574019875 /nfs/dbraw/zinc/01/98/75/574019875.db2.gz UPBTYUNLQHBWFJ-JTQLQIEISA-N 1 1 197.665 2.237 10 0 AEAEMO CC(=O)[C@@H]([NH3+])c1c(C)cccc1Cl 104504722 574020063 /nfs/dbraw/zinc/02/00/63/574020063.db2.gz UHGZBHHROXOODB-SNVBAGLBSA-N 1 1 197.665 2.237 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@@H](O)CC1(C)C 259277877 574021550 /nfs/dbraw/zinc/02/15/50/574021550.db2.gz GKOUYDZQVAJQGV-VHSXEESVSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[N@@H+](C1CCCCCC1)C1CNC1 85258695 574021647 /nfs/dbraw/zinc/02/16/47/574021647.db2.gz DBBWKDHCMRNKHS-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[N@H+](C1CCCCCC1)C1CNC1 85258695 574021650 /nfs/dbraw/zinc/02/16/50/574021650.db2.gz DBBWKDHCMRNKHS-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO CNc1ccc2c(c1)C[N@@H+](C(C)C)C2 259278576 574021664 /nfs/dbraw/zinc/02/16/64/574021664.db2.gz KIKMSHLYFKHEKC-UHFFFAOYSA-N 1 1 190.290 2.452 10 0 AEAEMO Cc1ccc(-c2ccccn2)c(N)[nH+]1 145449774 574021764 /nfs/dbraw/zinc/02/17/64/574021764.db2.gz YLFNYBTYAHUKBO-UHFFFAOYSA-N 1 1 185.230 2.034 10 0 AEAEMO CC(C)(C)[N@H+]1CCCC(=O)C1(C)C 259277548 574022238 /nfs/dbraw/zinc/02/22/38/574022238.db2.gz GILDTEZOHCLFBD-UHFFFAOYSA-N 1 1 183.295 2.228 10 0 AEAEMO CC[C@@H](C)[N@H+]1CC[C@H](O)CC1(C)C 259277880 574022401 /nfs/dbraw/zinc/02/24/01/574022401.db2.gz GKOUYDZQVAJQGV-ZJUUUORDSA-N 1 1 185.311 2.020 10 0 AEAEMO CC(C)[N@@H+](CC1CC1)[C@H]1CCC[C@@H]1O 42589536 574022769 /nfs/dbraw/zinc/02/27/69/574022769.db2.gz KKHOSFLAEFACQR-RYUDHWBXSA-N 1 1 197.322 2.020 10 0 AEAEMO C[N@H+]1CC[C@@H](CNc2ccccc2)C1 104518939 574025625 /nfs/dbraw/zinc/02/56/25/574025625.db2.gz GNJFXIVCULXSMJ-NSHDSACASA-N 1 1 190.290 2.050 10 0 AEAEMO CCC[N@@H+](CCN)CCC(C)(C)C 49254487 574025333 /nfs/dbraw/zinc/02/53/33/574025333.db2.gz YRJFAIIAHNMVTG-UHFFFAOYSA-N 1 1 186.343 2.093 10 0 AEAEMO CCCN(CC[NH3+])CCC(C)(C)C 49254487 574025336 /nfs/dbraw/zinc/02/53/36/574025336.db2.gz YRJFAIIAHNMVTG-UHFFFAOYSA-N 1 1 186.343 2.093 10 0 AEAEMO CC(C)[N@@H+](C)[C@]1(CN)CCC(C)(C)C1 87772485 574027879 /nfs/dbraw/zinc/02/78/79/574027879.db2.gz OPCUPJOUWAMDMF-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[N@@H+](C)[C@@]1(CN)CCC(C)(C)C1 87772486 574028011 /nfs/dbraw/zinc/02/80/11/574028011.db2.gz OPCUPJOUWAMDMF-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]1C[NH2+][C@H](c2cccc(O)c2)S1 85302517 574029324 /nfs/dbraw/zinc/02/93/24/574029324.db2.gz JFGYQLSOWZAUSL-XCBNKYQSSA-N 1 1 195.287 2.116 10 0 AEAEMO C[C@H]1C[NH2+][C@H](c2ccco2)S1 85300860 574029498 /nfs/dbraw/zinc/02/94/98/574029498.db2.gz MSNPNPIFFISRAW-XPUUQOCRSA-N 1 1 169.249 2.003 10 0 AEAEMO Cc1ccc([C@H]2[NH2+]C[C@H](C)S2)o1 85302498 574029509 /nfs/dbraw/zinc/02/95/09/574029509.db2.gz OJNKIPQIUVKBQA-CBAPKCEASA-N 1 1 183.276 2.312 10 0 AEAEMO C[C@H]1C[NH2+][C@@H](c2ccco2)S1 85300866 574029684 /nfs/dbraw/zinc/02/96/84/574029684.db2.gz MSNPNPIFFISRAW-POYBYMJQSA-N 1 1 169.249 2.003 10 0 AEAEMO C[C@H]1C[NH2+][C@@H](c2ccoc2)S1 85301109 574029726 /nfs/dbraw/zinc/02/97/26/574029726.db2.gz MAKBWIVNDDJSDK-POYBYMJQSA-N 1 1 169.249 2.003 10 0 AEAEMO C[C@H]1C[NH2+][C@@H](c2cccc(O)c2)S1 85302526 574029751 /nfs/dbraw/zinc/02/97/51/574029751.db2.gz JFGYQLSOWZAUSL-OIBJUYFYSA-N 1 1 195.287 2.116 10 0 AEAEMO C[C@@H]1CS[C@H](c2ccoc2)[NH2+]1 85309580 574031813 /nfs/dbraw/zinc/03/18/13/574031813.db2.gz XGCUCEDBYYELEV-HTRCEHHLSA-N 1 1 169.249 2.003 10 0 AEAEMO C[C@H]1CS[C@H](c2ccco2)[NH2+]1 85309441 574031853 /nfs/dbraw/zinc/03/18/53/574031853.db2.gz QKUJUBLVTYKYDC-POYBYMJQSA-N 1 1 169.249 2.003 10 0 AEAEMO C[C@H]1CS[C@H](c2ccoc2)[NH2+]1 85309582 574032164 /nfs/dbraw/zinc/03/21/64/574032164.db2.gz XGCUCEDBYYELEV-POYBYMJQSA-N 1 1 169.249 2.003 10 0 AEAEMO Cc1ccc([C@@H]2[NH2+][C@H](C)CS2)o1 85310400 574032179 /nfs/dbraw/zinc/03/21/79/574032179.db2.gz VEKGGFRIGQCGSF-HZGVNTEJSA-N 1 1 183.276 2.312 10 0 AEAEMO C[C@H]1CS[C@@H](c2cccc(O)c2)[NH2+]1 85310428 574032290 /nfs/dbraw/zinc/03/22/90/574032290.db2.gz IQPSSBXDWQKEMT-XVKPBYJWSA-N 1 1 195.287 2.116 10 0 AEAEMO Cc1ccc([C@H]2[NH2+][C@@H](C)CS2)o1 85310406 574032297 /nfs/dbraw/zinc/03/22/97/574032297.db2.gz VEKGGFRIGQCGSF-RCOVLWMOSA-N 1 1 183.276 2.312 10 0 AEAEMO C[C@H]1CS[C@H](c2cccc(O)c2)[NH2+]1 85310425 574032343 /nfs/dbraw/zinc/03/23/43/574032343.db2.gz IQPSSBXDWQKEMT-OIBJUYFYSA-N 1 1 195.287 2.116 10 0 AEAEMO C[C@@H]1CS[C@@H](c2cccc(O)c2)[NH2+]1 85310427 574032462 /nfs/dbraw/zinc/03/24/62/574032462.db2.gz IQPSSBXDWQKEMT-XCBNKYQSSA-N 1 1 195.287 2.116 10 0 AEAEMO C[C@H]1CCS[C@H](c2ccncc2)[NH2+]1 85318609 574036406 /nfs/dbraw/zinc/03/64/06/574036406.db2.gz JCLRIHKHVRXCGS-WCBMZHEXSA-N 1 1 194.303 2.195 10 0 AEAEMO CCNc1nc(NC(C)C)c(C)c[nH+]1 87806783 574036710 /nfs/dbraw/zinc/03/67/10/574036710.db2.gz VEHAICAWGFKXFA-UHFFFAOYSA-N 1 1 194.282 2.037 10 0 AEAEMO CC[C@H](C)Nc1nc(NC)[nH+]cc1C 87806980 574037024 /nfs/dbraw/zinc/03/70/24/574037024.db2.gz PBHLMYWLXHZGQV-QMMMGPOBSA-N 1 1 194.282 2.037 10 0 AEAEMO C[C@H]1CC[NH2+][C@@H](c2ccncc2)S1 85342194 574037206 /nfs/dbraw/zinc/03/72/06/574037206.db2.gz CSLVRLPFKXECBY-WCBMZHEXSA-N 1 1 194.303 2.195 10 0 AEAEMO C[C@@H]1CC[NH2+][C@@H](c2ccncc2)S1 85342193 574038368 /nfs/dbraw/zinc/03/83/68/574038368.db2.gz CSLVRLPFKXECBY-PSASIEDQSA-N 1 1 194.303 2.195 10 0 AEAEMO C[C@@H]1C[NH2+][C@H](c2ccncc2)SC1 85337179 574038374 /nfs/dbraw/zinc/03/83/74/574038374.db2.gz GCUXAMHTCLAXJS-SCZZXKLOSA-N 1 1 194.303 2.053 10 0 AEAEMO CCNc1cc(NC(C)C)[nH+]c(C)n1 87806726 574038538 /nfs/dbraw/zinc/03/85/38/574038538.db2.gz KFIAFLURIGHISB-UHFFFAOYSA-N 1 1 194.282 2.037 10 0 AEAEMO C[C@H]1C[NH2+][C@H](c2ccncc2)SC1 85337182 574038957 /nfs/dbraw/zinc/03/89/57/574038957.db2.gz GCUXAMHTCLAXJS-WPRPVWTQSA-N 1 1 194.303 2.053 10 0 AEAEMO CC[C@@H]1CS[C@H](c2ccco2)[NH2+]1 85347042 574041194 /nfs/dbraw/zinc/04/11/94/574041194.db2.gz NXGDFVFLXVPUTK-VXNVDRBHSA-N 1 1 183.276 2.393 10 0 AEAEMO CCCCC[NH2+][C@@H](C)CCN(C)C 49553677 574041222 /nfs/dbraw/zinc/04/12/22/574041222.db2.gz XZIZBYSNCIYMNB-NSHDSACASA-N 1 1 186.343 2.106 10 0 AEAEMO CC[C@@H]1CS[C@H](c2ccoc2)[NH2+]1 85347102 574041734 /nfs/dbraw/zinc/04/17/34/574041734.db2.gz BGWYTKIILKPLOW-RKDXNWHRSA-N 1 1 183.276 2.393 10 0 AEAEMO CCCNc1nc(NCC)c(C)c[nH+]1 87807466 574041868 /nfs/dbraw/zinc/04/18/68/574041868.db2.gz PNPJPQOQOHHIHR-UHFFFAOYSA-N 1 1 194.282 2.039 10 0 AEAEMO CC[C@H]1CS[C@H](c2ccoc2)[NH2+]1 85347103 574041951 /nfs/dbraw/zinc/04/19/51/574041951.db2.gz BGWYTKIILKPLOW-DTWKUNHWSA-N 1 1 183.276 2.393 10 0 AEAEMO CC[C@@H]1CS[C@H](c2ccccn2)[NH2+]1 85347270 574042022 /nfs/dbraw/zinc/04/20/22/574042022.db2.gz KVJGEKWFQQRECM-PSASIEDQSA-N 1 1 194.303 2.195 10 0 AEAEMO CC[C@H]1CS[C@@H](c2ccco2)[NH2+]1 85347045 574042135 /nfs/dbraw/zinc/04/21/35/574042135.db2.gz NXGDFVFLXVPUTK-CBAPKCEASA-N 1 1 183.276 2.393 10 0 AEAEMO CC[C@@H]1CS[C@@H](c2ccccn2)[NH2+]1 85347272 574042156 /nfs/dbraw/zinc/04/21/56/574042156.db2.gz KVJGEKWFQQRECM-SCZZXKLOSA-N 1 1 194.303 2.195 10 0 AEAEMO CC1(C)C[C@H](CO)C[N@H+]1C1CCCC1 259297114 574042207 /nfs/dbraw/zinc/04/22/07/574042207.db2.gz HJGWGJZRRPMWOK-JTQLQIEISA-N 1 1 197.322 2.022 10 0 AEAEMO CC1(C)CS[C@@H](c2ccccn2)[NH2+]1 85349709 574043644 /nfs/dbraw/zinc/04/36/44/574043644.db2.gz MLBVCAAILUEMGJ-VIFPVBQESA-N 1 1 194.303 2.195 10 0 AEAEMO CC1(C)CS[C@H](c2ccccn2)[NH2+]1 85349708 574043845 /nfs/dbraw/zinc/04/38/45/574043845.db2.gz MLBVCAAILUEMGJ-SECBINFHSA-N 1 1 194.303 2.195 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCCC(=O)C1(C)C 259300176 574047718 /nfs/dbraw/zinc/04/77/18/574047718.db2.gz HMCIEVDVMOFDSN-SECBINFHSA-N 1 1 183.295 2.228 10 0 AEAEMO CCCNc1[nH+]c(C)ccc1OC 1157357533 760734257 /nfs/dbraw/zinc/73/42/57/760734257.db2.gz PKAUXIOYKDTYTN-UHFFFAOYSA-N 1 1 180.251 2.221 10 0 AEAEMO CC(C)CNc1cccn2cc[nH+]c12 1161647057 760819858 /nfs/dbraw/zinc/81/98/58/760819858.db2.gz FUFDIFABLPZXEI-UHFFFAOYSA-N 1 1 189.262 2.402 10 0 AEAEMO CCc1cccc(NCC(F)F)[nH+]1 1161815483 760824621 /nfs/dbraw/zinc/82/46/21/760824621.db2.gz GHWVDRGKSMXESR-UHFFFAOYSA-N 1 1 186.205 2.321 10 0 AEAEMO FC[C@H]1CCC[N@H+]1[C@H]1C[C@@H]2C[C@@H]2C1 1167958088 760887704 /nfs/dbraw/zinc/88/77/04/760887704.db2.gz BVRMLJYPCMHWCG-LMLFDSFASA-N 1 1 183.270 2.219 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@H]1CCO[C@H](C)C1 1168111233 760892921 /nfs/dbraw/zinc/89/29/21/760892921.db2.gz AAUVNPDMGDVXLP-HBNTYKKESA-N 1 1 185.311 2.284 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@H]1CCO[C@@H](C)C1 1168111232 760893974 /nfs/dbraw/zinc/89/39/74/760893974.db2.gz AAUVNPDMGDVXLP-GARJFASQSA-N 1 1 185.311 2.284 10 0 AEAEMO CCCNc1[nH+]cccc1CC 1168131127 760894220 /nfs/dbraw/zinc/89/42/20/760894220.db2.gz ZHZRKWRIVOIAAE-UHFFFAOYSA-N 1 1 164.252 2.466 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@H]1CCO[C@@H](C)C1 1168111231 760894447 /nfs/dbraw/zinc/89/44/47/760894447.db2.gz AAUVNPDMGDVXLP-DCAQKATOSA-N 1 1 185.311 2.284 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@H]1CCO[C@H](C)C1 1168111228 760894543 /nfs/dbraw/zinc/89/45/43/760894543.db2.gz AAUVNPDMGDVXLP-AXFHLTTASA-N 1 1 185.311 2.284 10 0 AEAEMO CC1CCC([N@H+]2CCO[C@H](C)C2)CC1 1168210421 760896737 /nfs/dbraw/zinc/89/67/37/760896737.db2.gz OLNAJPQGQOVGDR-MOENNCHZSA-N 1 1 197.322 2.286 10 0 AEAEMO CC1CCC([N@H+]2CCOC[C@@H]2C)CC1 1168210088 760896721 /nfs/dbraw/zinc/89/67/21/760896721.db2.gz FZLKBEPUALEGHL-CXQJBGSLSA-N 1 1 197.322 2.286 10 0 AEAEMO CC1CCC([N@H+]2C[C@@H]3C[C@H](C2)O3)CC1 1168219757 760896726 /nfs/dbraw/zinc/89/67/26/760896726.db2.gz NIZYYKVISWXGQH-CAODYFQJSA-N 1 1 195.306 2.038 10 0 AEAEMO CO[C@H]1CC[N@H+](C2CCC(C)CC2)C1 1168210690 760896989 /nfs/dbraw/zinc/89/69/89/760896989.db2.gz WEOWGWDFENLRNR-MCIGGMRASA-N 1 1 197.322 2.286 10 0 AEAEMO CO[C@@H]1CC[N@H+](C2CCC(C)CC2)C1 1168210689 760897096 /nfs/dbraw/zinc/89/70/96/760897096.db2.gz WEOWGWDFENLRNR-HTAVTVPLSA-N 1 1 197.322 2.286 10 0 AEAEMO CC1CCC([N@H+]2CCC23COC3)CC1 1168220591 760897139 /nfs/dbraw/zinc/89/71/39/760897139.db2.gz YJHANRMZPNQWCW-UHFFFAOYSA-N 1 1 195.306 2.040 10 0 AEAEMO CC1CCC([N@H+]2CCO[C@@H]3C[C@@H]32)CC1 1168222060 760897337 /nfs/dbraw/zinc/89/73/37/760897337.db2.gz VXGZWHVTDPSOKQ-MMVSWEMESA-N 1 1 195.306 2.038 10 0 AEAEMO CC1CCC([N@H+]2CCOC[C@H]2C)CC1 1168210090 760897953 /nfs/dbraw/zinc/89/79/53/760897953.db2.gz FZLKBEPUALEGHL-MOENNCHZSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[N@H+](C1CCC(C)CC1)C1COC1 1168220311 760897968 /nfs/dbraw/zinc/89/79/68/760897968.db2.gz VTUUQTLPOPJBNM-UHFFFAOYSA-N 1 1 197.322 2.286 10 0 AEAEMO CC1CCC([N@H+]2CCO[C@@H](C)C2)CC1 1168210420 760898080 /nfs/dbraw/zinc/89/80/80/760898080.db2.gz OLNAJPQGQOVGDR-CXQJBGSLSA-N 1 1 197.322 2.286 10 0 AEAEMO CC1CCC([N@H+]2C[C@@H]3C[C@H]2CO3)CC1 1168219594 760898344 /nfs/dbraw/zinc/89/83/44/760898344.db2.gz LXVMWHPEOZIVBR-QQFIATSDSA-N 1 1 195.306 2.038 10 0 AEAEMO CC1CCC([N@H+]2CCO[C@H]3C[C@H]32)CC1 1168222053 760898356 /nfs/dbraw/zinc/89/83/56/760898356.db2.gz VXGZWHVTDPSOKQ-HCWSGVFWSA-N 1 1 195.306 2.038 10 0 AEAEMO CCc1cccc(NC2CSC2)[nH+]1 1168364812 760898643 /nfs/dbraw/zinc/89/86/43/760898643.db2.gz USRNVVAIRKLJLZ-UHFFFAOYSA-N 1 1 194.303 2.171 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)C1CCN(CC)CC1 1169251668 760949477 /nfs/dbraw/zinc/94/94/77/760949477.db2.gz XUROYVJLJRSRAO-LLVKDONJSA-N 1 1 198.354 2.201 10 0 AEAEMO CCN1CCC([N@@H+](CC)C(C)C)CC1 1169244175 760952668 /nfs/dbraw/zinc/95/26/68/760952668.db2.gz FXLVHUOPSCJMPT-UHFFFAOYSA-N 1 1 198.354 2.201 10 0 AEAEMO CCC[N@@H+](CC)C1CCN(CC)CC1 1169244438 760954743 /nfs/dbraw/zinc/95/47/43/760954743.db2.gz OLTCMITXUYSOHR-UHFFFAOYSA-N 1 1 198.354 2.203 10 0 AEAEMO CC[C@H](C)[N@@H+](C)C1CCN(CC)CC1 1169251670 760960015 /nfs/dbraw/zinc/96/00/15/760960015.db2.gz XUROYVJLJRSRAO-NSHDSACASA-N 1 1 198.354 2.201 10 0 AEAEMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(C)=O 1169330789 760970646 /nfs/dbraw/zinc/97/06/46/760970646.db2.gz HDQSSYYTSMQITK-NEPJUHHUSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)CC(C)=O 1169331159 760971164 /nfs/dbraw/zinc/97/11/64/760971164.db2.gz HDQSSYYTSMQITK-RYUDHWBXSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)CC(C)=O 1169331161 760971485 /nfs/dbraw/zinc/97/14/85/760971485.db2.gz HDQSSYYTSMQITK-VXGBXAGGSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@H]1CCCC[C@H]1[N@@H+](C)CC(C)=O 1169331158 760980915 /nfs/dbraw/zinc/98/09/15/760980915.db2.gz HDQSSYYTSMQITK-NWDGAFQWSA-N 1 1 197.322 2.476 10 0 AEAEMO CCc1cccc(NC[C@H](C)OC)[nH+]1 1169776810 760985666 /nfs/dbraw/zinc/98/56/66/760985666.db2.gz NCWXCCIPVLLPRL-VIFPVBQESA-N 1 1 194.278 2.091 10 0 AEAEMO C[C@@H]1CC[C@H]([NH2+][C@H]2CC2(F)F)C1 1170092582 761010145 /nfs/dbraw/zinc/01/01/45/761010145.db2.gz PKNWVRXQSBPLPG-CSMHCCOUSA-N 1 1 175.222 2.172 10 0 AEAEMO C[C@@H]1CC[C@@H]([NH2+][C@H]2CC2(F)F)C1 1170092584 761006908 /nfs/dbraw/zinc/00/69/08/761006908.db2.gz PKNWVRXQSBPLPG-PRJMDXOYSA-N 1 1 175.222 2.172 10 0 AEAEMO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC2(F)F)C1 1170092583 761007503 /nfs/dbraw/zinc/00/75/03/761007503.db2.gz PKNWVRXQSBPLPG-GJMOJQLCSA-N 1 1 175.222 2.172 10 0 AEAEMO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC2(F)F)C1 1170092581 761008656 /nfs/dbraw/zinc/00/86/56/761008656.db2.gz PKNWVRXQSBPLPG-BWZBUEFSSA-N 1 1 175.222 2.172 10 0 AEAEMO C[C@H]1CC[N@H+]1[C@@H]1CC[C@@H](C)C1 1170133941 761024787 /nfs/dbraw/zinc/02/47/87/761024787.db2.gz WIEMJPQYNJBAGZ-KXUCPTDWSA-N 1 1 153.269 2.269 10 0 AEAEMO C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]2C)C1 1170133942 761026694 /nfs/dbraw/zinc/02/66/94/761026694.db2.gz WIEMJPQYNJBAGZ-OPRDCNLKSA-N 1 1 153.269 2.269 10 0 AEAEMO C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]2C)C1 1170133940 761027719 /nfs/dbraw/zinc/02/77/19/761027719.db2.gz WIEMJPQYNJBAGZ-BBBLOLIVSA-N 1 1 153.269 2.269 10 0 AEAEMO C[C@H]1CC[N@H+]1[C@H]1CC[C@@H](C)C1 1170133943 761029810 /nfs/dbraw/zinc/02/98/10/761029810.db2.gz WIEMJPQYNJBAGZ-UTLUCORTSA-N 1 1 153.269 2.269 10 0 AEAEMO CC[C@@H]1COCC[N@H+]1[C@@H]1CC[C@H](C)C1 1170152178 761033641 /nfs/dbraw/zinc/03/36/41/761033641.db2.gz SLCIDYLXBSBFGO-QJPTWQEYSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@@H]1COCC[N@H+]1[C@@H]1CC[C@@H](C)C1 1170152175 761033985 /nfs/dbraw/zinc/03/39/85/761033985.db2.gz SLCIDYLXBSBFGO-IJLUTSLNSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@@H]1COCC[N@H+]1[C@H]1CC[C@@H](C)C1 1170152180 761034906 /nfs/dbraw/zinc/03/49/06/761034906.db2.gz SLCIDYLXBSBFGO-UTUOFQBUSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@@H]1COCC[N@H+]1[C@H]1CC[C@H](C)C1 1170152179 761037984 /nfs/dbraw/zinc/03/79/84/761037984.db2.gz SLCIDYLXBSBFGO-TUAOUCFPSA-N 1 1 197.322 2.286 10 0 AEAEMO CCC[N@@H+](C)[C@H]1CCO[C@H](CC)C1 1170204913 761039235 /nfs/dbraw/zinc/03/92/35/761039235.db2.gz UCSLKLBNZXHXCB-WDEREUQCSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@@H]1C[C@@H]([N@@H+](C)C(C)C)CCO1 1170202336 761039388 /nfs/dbraw/zinc/03/93/88/761039388.db2.gz GJWSNVWRSHGAMR-WDEREUQCSA-N 1 1 185.311 2.284 10 0 AEAEMO CC[C@@H]1C[C@@H]([N@@H+](C)CC2CC2)CCO1 1170204109 761039424 /nfs/dbraw/zinc/03/94/24/761039424.db2.gz ONQSZLYFFJXNPT-NWDGAFQWSA-N 1 1 197.322 2.286 10 0 AEAEMO CCC[N@@H+](C)[C@@H]1CCO[C@H](CC)C1 1170204910 761040669 /nfs/dbraw/zinc/04/06/69/761040669.db2.gz UCSLKLBNZXHXCB-GHMZBOCLSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@H]1C[C@H]([N@@H+](C)CC2CC2)CCO1 1170204107 761040729 /nfs/dbraw/zinc/04/07/29/761040729.db2.gz ONQSZLYFFJXNPT-NEPJUHHUSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@H]1C[C@@H]([N@@H+](C)C(C)C)CCO1 1170202335 761040921 /nfs/dbraw/zinc/04/09/21/761040921.db2.gz GJWSNVWRSHGAMR-QWRGUYRKSA-N 1 1 185.311 2.284 10 0 AEAEMO CC[C@H]1C[C@@H]([N@@H+](C)CC2CC2)CCO1 1170204111 761041588 /nfs/dbraw/zinc/04/15/88/761041588.db2.gz ONQSZLYFFJXNPT-RYUDHWBXSA-N 1 1 197.322 2.286 10 0 AEAEMO CCC[N@@H+](C)[C@H]1CCO[C@@H](CC)C1 1170204912 761042523 /nfs/dbraw/zinc/04/25/23/761042523.db2.gz UCSLKLBNZXHXCB-QWRGUYRKSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@@H]1C[C@H]([N@@H+](C)CC2CC2)CCO1 1170204112 761042956 /nfs/dbraw/zinc/04/29/56/761042956.db2.gz ONQSZLYFFJXNPT-VXGBXAGGSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@H]1C[C@H]([N@@H+](C)C(C)C)CCO1 1170202334 761043341 /nfs/dbraw/zinc/04/33/41/761043341.db2.gz GJWSNVWRSHGAMR-MNOVXSKESA-N 1 1 185.311 2.284 10 0 AEAEMO CC[C@@H]1C[C@H]([N@@H+](C)C(C)C)CCO1 1170202333 761043905 /nfs/dbraw/zinc/04/39/05/761043905.db2.gz GJWSNVWRSHGAMR-GHMZBOCLSA-N 1 1 185.311 2.284 10 0 AEAEMO CCC[N@@H+](C)[C@@H]1CCO[C@@H](CC)C1 1170204911 761044059 /nfs/dbraw/zinc/04/40/59/761044059.db2.gz UCSLKLBNZXHXCB-MNOVXSKESA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@H]1CCCOCC1 1170811633 761067523 /nfs/dbraw/zinc/06/75/23/761067523.db2.gz NIAGWVRCHPWKCC-QWRGUYRKSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@H]1CCCOCC1 1170811634 761067577 /nfs/dbraw/zinc/06/75/77/761067577.db2.gz NIAGWVRCHPWKCC-WDEREUQCSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)[C@H]1CCCOCC1 1170811632 761071554 /nfs/dbraw/zinc/07/15/54/761071554.db2.gz NIAGWVRCHPWKCC-MNOVXSKESA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)[C@@H]1CCCOCC1 1170811631 761073646 /nfs/dbraw/zinc/07/36/46/761073646.db2.gz NIAGWVRCHPWKCC-GHMZBOCLSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@H](C)[N@@H+](C)C1C[C@@H]2CC[C@H](C1)O2 1172223896 761089868 /nfs/dbraw/zinc/08/98/68/761089868.db2.gz CVPIVCYEQRSPPV-YEJSDXFRSA-N 1 1 197.322 2.427 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)C1C[C@@H]2CC[C@H](C1)O2 1172223894 761090344 /nfs/dbraw/zinc/09/03/44/761090344.db2.gz CVPIVCYEQRSPPV-WAAKLRNESA-N 1 1 197.322 2.427 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)C1C[C@H]2C=C[C@@H](C1)O2 1172239172 761093662 /nfs/dbraw/zinc/09/36/62/761093662.db2.gz ZRBADVAYQLZHPC-WAAKLRNESA-N 1 1 195.306 2.203 10 0 AEAEMO CC[C@H](C)[N@@H+](C)C1C[C@H]2C=C[C@@H](C1)O2 1172239173 761096914 /nfs/dbraw/zinc/09/69/14/761096914.db2.gz ZRBADVAYQLZHPC-YEJSDXFRSA-N 1 1 195.306 2.203 10 0 AEAEMO CC1(C)C[C@H]([N@H+]2CCC3(CC3)C2)CO1 1172282225 761098632 /nfs/dbraw/zinc/09/86/32/761098632.db2.gz DGOYBIMFMDWWBM-JTQLQIEISA-N 1 1 195.306 2.040 10 0 AEAEMO C[C@H]1CCCC[N@H+]1[C@H]1COC(C)(C)C1 1172280566 761098660 /nfs/dbraw/zinc/09/86/60/761098660.db2.gz RWNOKZFWMZPSEV-WDEREUQCSA-N 1 1 197.322 2.428 10 0 AEAEMO CC[N@@H+](C1CC1)[C@@H]1COC(C)(C)C1 1172279208 761098799 /nfs/dbraw/zinc/09/87/99/761098799.db2.gz GIEMZUXTWTVUOX-JTQLQIEISA-N 1 1 183.295 2.038 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@@H]1COC(C)(C)C1 1172287167 761099180 /nfs/dbraw/zinc/09/91/80/761099180.db2.gz RNTRNWBQXJMCCT-MNOVXSKESA-N 1 1 197.322 2.428 10 0 AEAEMO CC[N@@H+](C1CC1)[C@H]1COC(C)(C)C1 1172279211 761099253 /nfs/dbraw/zinc/09/92/53/761099253.db2.gz GIEMZUXTWTVUOX-SNVBAGLBSA-N 1 1 183.295 2.038 10 0 AEAEMO C[N@@H+]([C@H]1COC(C)(C)C1)C(C)(C)C 1172288660 761099418 /nfs/dbraw/zinc/09/94/18/761099418.db2.gz XWLYGDQXBYWROQ-SECBINFHSA-N 1 1 185.311 2.284 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)[C@H]1COC(C)(C)C1 1172281931 761099487 /nfs/dbraw/zinc/09/94/87/761099487.db2.gz AHQFPZCOZKYNME-NXEZZACHSA-N 1 1 185.311 2.284 10 0 AEAEMO CC1(C)C[C@@H]([N@H+]2CCCC2(C)C)CO1 1172284963 761099614 /nfs/dbraw/zinc/09/96/14/761099614.db2.gz ZIMHIIHRPQAJFM-SNVBAGLBSA-N 1 1 197.322 2.428 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1[C@H]1COC(C)(C)C1 1172280559 761099749 /nfs/dbraw/zinc/09/97/49/761099749.db2.gz RWNOKZFWMZPSEV-GHMZBOCLSA-N 1 1 197.322 2.428 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@H]1COC(C)(C)C1 1172281932 761102086 /nfs/dbraw/zinc/10/20/86/761102086.db2.gz AHQFPZCOZKYNME-UWVGGRQHSA-N 1 1 185.311 2.284 10 0 AEAEMO CC1(C)C[C@H]([N@H+]2CCCC23CC3)CO1 1172284530 761102377 /nfs/dbraw/zinc/10/23/77/761102377.db2.gz TXUVFHFEVPXHBP-JTQLQIEISA-N 1 1 195.306 2.182 10 0 AEAEMO CC[C@H]1CCC[N@H+]1[C@H]1COC(C)(C)C1 1172287170 761103379 /nfs/dbraw/zinc/10/33/79/761103379.db2.gz RNTRNWBQXJMCCT-WDEREUQCSA-N 1 1 197.322 2.428 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1[C@@H]1COC(C)(C)C1 1172280562 761103864 /nfs/dbraw/zinc/10/38/64/761103864.db2.gz RWNOKZFWMZPSEV-MNOVXSKESA-N 1 1 197.322 2.428 10 0 AEAEMO CC1CC([N@@H+](C)[C@H]2COC(C)(C)C2)C1 1172282254 761104500 /nfs/dbraw/zinc/10/45/00/761104500.db2.gz BQSQNNCIUDPJEM-VQXHTEKXSA-N 1 1 197.322 2.284 10 0 AEAEMO CC1(C)C[C@H]([N@H+]2CCCC2(C)C)CO1 1172284962 761105518 /nfs/dbraw/zinc/10/55/18/761105518.db2.gz ZIMHIIHRPQAJFM-JTQLQIEISA-N 1 1 197.322 2.428 10 0 AEAEMO CC1(C)C[C@H]([N@H+]2CCC[C@H]3C[C@H]32)CO1 1172293438 761106523 /nfs/dbraw/zinc/10/65/23/761106523.db2.gz POLKLXAEINETML-GARJFASQSA-N 1 1 195.306 2.038 10 0 AEAEMO CC1CC([N@@H+](C)[C@@H]2COC(C)(C)C2)C1 1172282253 761106976 /nfs/dbraw/zinc/10/69/76/761106976.db2.gz BQSQNNCIUDPJEM-ILDUYXDCSA-N 1 1 197.322 2.284 10 0 AEAEMO CC[C@H]1CCC[N@H+]1[C@@H]1COC(C)(C)C1 1172287168 761108255 /nfs/dbraw/zinc/10/82/55/761108255.db2.gz RNTRNWBQXJMCCT-QWRGUYRKSA-N 1 1 197.322 2.428 10 0 AEAEMO C[N@@H+]([C@@H]1COC(C)(C)C1)C(C)(C)C 1172288662 761108343 /nfs/dbraw/zinc/10/83/43/761108343.db2.gz XWLYGDQXBYWROQ-VIFPVBQESA-N 1 1 185.311 2.284 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@H]1COC(C)(C)C1 1172281933 761108390 /nfs/dbraw/zinc/10/83/90/761108390.db2.gz AHQFPZCOZKYNME-VHSXEESVSA-N 1 1 185.311 2.284 10 0 AEAEMO CC1(C)C[C@H]([N@H+]2CCC[C@@H]3C[C@@H]32)CO1 1172293441 761108478 /nfs/dbraw/zinc/10/84/78/761108478.db2.gz POLKLXAEINETML-VWYCJHECSA-N 1 1 195.306 2.038 10 0 AEAEMO CC1(C)C[C@@H]([N@H+]2CCCC23CC3)CO1 1172284531 761108810 /nfs/dbraw/zinc/10/88/10/761108810.db2.gz TXUVFHFEVPXHBP-SNVBAGLBSA-N 1 1 195.306 2.182 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)[C@@H]1COC(C)(C)C1 1172281934 761110037 /nfs/dbraw/zinc/11/00/37/761110037.db2.gz AHQFPZCOZKYNME-ZJUUUORDSA-N 1 1 185.311 2.284 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@H]1COC(C)(C)C1 1172287165 761110079 /nfs/dbraw/zinc/11/00/79/761110079.db2.gz RNTRNWBQXJMCCT-GHMZBOCLSA-N 1 1 197.322 2.428 10 0 AEAEMO CC1(C)C[C@@H]([N@H+]2CCC3(CC3)C2)CO1 1172282227 761110227 /nfs/dbraw/zinc/11/02/27/761110227.db2.gz DGOYBIMFMDWWBM-SNVBAGLBSA-N 1 1 195.306 2.040 10 0 AEAEMO C[C@H]1CCCC[N@H+]1[C@@H]1COC(C)(C)C1 1172280564 761110303 /nfs/dbraw/zinc/11/03/03/761110303.db2.gz RWNOKZFWMZPSEV-QWRGUYRKSA-N 1 1 197.322 2.428 10 0 AEAEMO COCC[N@@H+](C)[C@@H]1CC[C@@H](C)[C@@H](C)C1 1172366597 761111629 /nfs/dbraw/zinc/11/16/29/761111629.db2.gz OJTYTQCYRQXJNI-GRYCIOLGSA-N 1 1 199.338 2.389 10 0 AEAEMO COCC[N@@H+](C)[C@@H]1CC[C@@H](C)[C@H](C)C1 1172366600 761115362 /nfs/dbraw/zinc/11/53/62/761115362.db2.gz OJTYTQCYRQXJNI-IJLUTSLNSA-N 1 1 199.338 2.389 10 0 AEAEMO COCC[N@@H+](C)[C@@H]1CC[C@H](C)[C@H](C)C1 1172366603 761118655 /nfs/dbraw/zinc/11/86/55/761118655.db2.gz OJTYTQCYRQXJNI-QJPTWQEYSA-N 1 1 199.338 2.389 10 0 AEAEMO COCC[N@@H+](C)[C@@H]1CC[C@H](C)[C@@H](C)C1 1172366606 761121300 /nfs/dbraw/zinc/12/13/00/761121300.db2.gz OJTYTQCYRQXJNI-SDDRHHMPSA-N 1 1 199.338 2.389 10 0 AEAEMO C[C@H]1C[C@@H]([N@@H+](C)C2COC2)CC[C@H]1C 1172371871 761127675 /nfs/dbraw/zinc/12/76/75/761127675.db2.gz BDEHAFLJOHGMMX-VWYCJHECSA-N 1 1 197.322 2.142 10 0 AEAEMO C[C@@H]1CC[C@@H]([N@@H+](C)C2COC2)C[C@H]1C 1172371868 761128576 /nfs/dbraw/zinc/12/85/76/761128576.db2.gz BDEHAFLJOHGMMX-GMTAPVOTSA-N 1 1 197.322 2.142 10 0 AEAEMO C[C@@H]1CC[C@H]([N@@H+](C)C2COC2)C[C@H]1C 1172371869 761133938 /nfs/dbraw/zinc/13/39/38/761133938.db2.gz BDEHAFLJOHGMMX-MXWKQRLJSA-N 1 1 197.322 2.142 10 0 AEAEMO C[C@H]1C[C@H]([N@@H+](C)C2COC2)CC[C@H]1C 1172371870 761134344 /nfs/dbraw/zinc/13/43/44/761134344.db2.gz BDEHAFLJOHGMMX-OUAUKWLOSA-N 1 1 197.322 2.142 10 0 AEAEMO CO[C@@H]1CCC[C@@H]([N@H+]2CC[C@@H]2C)C1 1172929130 761210054 /nfs/dbraw/zinc/21/00/54/761210054.db2.gz DKZWZMGADZQTFP-HBNTYKKESA-N 1 1 183.295 2.038 10 0 AEAEMO CO[C@@H]1CCC[C@H]([N@H+]2CC[C@@H]2C)C1 1172929120 761213768 /nfs/dbraw/zinc/21/37/68/761213768.db2.gz DKZWZMGADZQTFP-GARJFASQSA-N 1 1 183.295 2.038 10 0 AEAEMO CO[C@@H]1CCC[C@@H]([N@H+]2CC[C@H]2C)C1 1172929122 761214318 /nfs/dbraw/zinc/21/43/18/761214318.db2.gz DKZWZMGADZQTFP-GMTAPVOTSA-N 1 1 183.295 2.038 10 0 AEAEMO CO[C@@H]1CCC[C@H]([N@H+]2CC[C@H]2C)C1 1172929131 761214993 /nfs/dbraw/zinc/21/49/93/761214993.db2.gz DKZWZMGADZQTFP-OUAUKWLOSA-N 1 1 183.295 2.038 10 0 AEAEMO CC[C@@H]1CC[C@H]([N@@H+](C)CCF)C1 1173282309 761255518 /nfs/dbraw/zinc/25/55/18/761255518.db2.gz FUBIQIVTQFEAHP-ZJUUUORDSA-N 1 1 173.275 2.466 10 0 AEAEMO CC[C@H]1CC[C@H]([N@@H+](C)CCF)C1 1173282307 761261813 /nfs/dbraw/zinc/26/18/13/761261813.db2.gz FUBIQIVTQFEAHP-UWVGGRQHSA-N 1 1 173.275 2.466 10 0 AEAEMO CC[C@H]1CC[C@@H]([N@@H+](C)CCF)C1 1173282308 761264289 /nfs/dbraw/zinc/26/42/89/761264289.db2.gz FUBIQIVTQFEAHP-VHSXEESVSA-N 1 1 173.275 2.466 10 0 AEAEMO CC[C@@H]1CC[C@@H]([N@@H+](C)CCF)C1 1173282306 761265266 /nfs/dbraw/zinc/26/52/66/761265266.db2.gz FUBIQIVTQFEAHP-NXEZZACHSA-N 1 1 173.275 2.466 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@H]1CCN(CC)C1 1173369921 761291490 /nfs/dbraw/zinc/29/14/90/761291490.db2.gz DNRLAOBEODKICJ-GFCCVEGCSA-N 1 1 198.354 2.201 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@H]1CCN(CC)C1 1173369923 761297614 /nfs/dbraw/zinc/29/76/14/761297614.db2.gz DNRLAOBEODKICJ-LBPRGKRZSA-N 1 1 198.354 2.201 10 0 AEAEMO CO[C@H]1CC[C@H]([N@@H+](C)CC2CCC2)C1 1176771426 761438895 /nfs/dbraw/zinc/43/88/95/761438895.db2.gz LXZZTHJAGDCHQV-RYUDHWBXSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@H]2CSC[C@@]2(C)C1 1176803443 761438960 /nfs/dbraw/zinc/43/89/60/761438960.db2.gz GREBKKNGIZMFKE-GARJFASQSA-N 1 1 199.363 2.470 10 0 AEAEMO CC[C@@H](C)[N@H+]1C[C@H]2CSC[C@@]2(C)C1 1176803444 761440063 /nfs/dbraw/zinc/44/00/63/761440063.db2.gz GREBKKNGIZMFKE-OUAUKWLOSA-N 1 1 199.363 2.470 10 0 AEAEMO CO[C@@H]1CC[C@H]([N@@H+](C)CC2CCC2)C1 1176771425 761440854 /nfs/dbraw/zinc/44/08/54/761440854.db2.gz LXZZTHJAGDCHQV-NWDGAFQWSA-N 1 1 197.322 2.286 10 0 AEAEMO CCC[C@H]1CCC[N@H+]1Cc1ccon1 1176777668 761442581 /nfs/dbraw/zinc/44/25/81/761442581.db2.gz NGVYCIWTESKZEB-NSHDSACASA-N 1 1 194.278 2.439 10 0 AEAEMO CCC[C@@H]1CCC[N@H+]1Cc1ccon1 1176777665 761443897 /nfs/dbraw/zinc/44/38/97/761443897.db2.gz NGVYCIWTESKZEB-LLVKDONJSA-N 1 1 194.278 2.439 10 0 AEAEMO CO[C@@H]1CC[C@@H]([N@@H+](C)CC2CCC2)C1 1176771427 761444033 /nfs/dbraw/zinc/44/40/33/761444033.db2.gz LXZZTHJAGDCHQV-VXGBXAGGSA-N 1 1 197.322 2.286 10 0 AEAEMO CC(C)[N@H+]1C[C@H]2CSC[C@@]2(C)C1 1176805002 761444441 /nfs/dbraw/zinc/44/44/41/761444441.db2.gz UTEQUWKBNTYNGR-VHSXEESVSA-N 1 1 185.336 2.080 10 0 AEAEMO CO[C@H]1CC[C@@H]([N@@H+](C)CC2CCC2)C1 1176771424 761445404 /nfs/dbraw/zinc/44/54/04/761445404.db2.gz LXZZTHJAGDCHQV-NEPJUHHUSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCO1 1176921093 761447409 /nfs/dbraw/zinc/44/74/09/761447409.db2.gz JNBVQIPBGVWILN-MNOVXSKESA-N 1 1 183.295 2.040 10 0 AEAEMO CCC[N@@H+](C)C[C@]12CCC[C@H]1OCC2 1176991673 761450200 /nfs/dbraw/zinc/45/02/00/761450200.db2.gz TZIIKHZCFWZAAD-VXGBXAGGSA-N 1 1 197.322 2.287 10 0 AEAEMO CC(=O)C[N@H+]1CC=CC12CCCCC2 1176995959 761450442 /nfs/dbraw/zinc/45/04/42/761450442.db2.gz PPLOTMJQCFRQNT-UHFFFAOYSA-N 1 1 193.290 2.150 10 0 AEAEMO CC[N@H+]1CCCC[C@]12CCCOC2 1177009122 761451089 /nfs/dbraw/zinc/45/10/89/761451089.db2.gz YBVAXZXBORQWKF-LLVKDONJSA-N 1 1 183.295 2.041 10 0 AEAEMO CC[N@H+]1CCCC[C@H]1[C@@H]1CCCO1 1176921095 761453228 /nfs/dbraw/zinc/45/32/28/761453228.db2.gz JNBVQIPBGVWILN-QWRGUYRKSA-N 1 1 183.295 2.040 10 0 AEAEMO CC[N@H+]1CCCC[C@@]12CCCOC2 1177009123 761454696 /nfs/dbraw/zinc/45/46/96/761454696.db2.gz YBVAXZXBORQWKF-NSHDSACASA-N 1 1 183.295 2.041 10 0 AEAEMO CC[N@H+]1CCCC[C@@H]1[C@H]1CCCO1 1176921091 761455926 /nfs/dbraw/zinc/45/59/26/761455926.db2.gz JNBVQIPBGVWILN-GHMZBOCLSA-N 1 1 183.295 2.040 10 0 AEAEMO CC[N@H+]1CCCC[C@H]1[C@H]1CCCO1 1176921096 761455976 /nfs/dbraw/zinc/45/59/76/761455976.db2.gz JNBVQIPBGVWILN-WDEREUQCSA-N 1 1 183.295 2.040 10 0 AEAEMO CC[C@H](C)C[N@@H+](CC)CC1=NOCC1 1191374490 761598065 /nfs/dbraw/zinc/59/80/65/761598065.db2.gz HMHNAIUEQMGMKP-JTQLQIEISA-N 1 1 198.310 2.131 10 0 AEAEMO C[C@H]1CCC[C@@H](C)[N@H+]1CC1=NOCC1 1191320031 761599162 /nfs/dbraw/zinc/59/91/62/761599162.db2.gz UPAWRRGLOSKFQY-AOOOYVTPSA-N 1 1 196.294 2.026 10 0 AEAEMO CC[C@@H](C)C[N@@H+](CC)CC1=NOCC1 1191374498 761603423 /nfs/dbraw/zinc/60/34/23/761603423.db2.gz HMHNAIUEQMGMKP-SNVBAGLBSA-N 1 1 198.310 2.131 10 0 AEAEMO CC(C)C[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F 1192388974 761614447 /nfs/dbraw/zinc/61/44/47/761614447.db2.gz GDQCQTZWSDUMBL-DTWKUNHWSA-N 1 1 189.249 2.229 10 0 AEAEMO CC(C)C[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F 1192388952 761615009 /nfs/dbraw/zinc/61/50/09/761615009.db2.gz GDQCQTZWSDUMBL-BDAKNGLRSA-N 1 1 189.249 2.229 10 0 AEAEMO FCC[N@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 1198277143 761714029 /nfs/dbraw/zinc/71/40/29/761714029.db2.gz BAEUNPKYFPGOTM-RYUDHWBXSA-N 1 1 197.297 2.466 10 0 AEAEMO CC(C)COCC[N@@H+](C)CC1CCC1 1198414363 761714624 /nfs/dbraw/zinc/71/46/24/761714624.db2.gz NUKORVNHTIKNRR-UHFFFAOYSA-N 1 1 199.338 2.391 10 0 AEAEMO Cc1cc(C[N@@H+](C)CC2CCC2)on1 1198414280 761714666 /nfs/dbraw/zinc/71/46/66/761714666.db2.gz KNPZLPCJLWDJFC-UHFFFAOYSA-N 1 1 194.278 2.215 10 0 AEAEMO CC(C)C[N@H+]1C[C@H]2CSC[C@@]2(C)C1 1198467009 761714940 /nfs/dbraw/zinc/71/49/40/761714940.db2.gz GSEAFXQAPIJPCJ-WDEREUQCSA-N 1 1 199.363 2.327 10 0 AEAEMO Cc1cccnc1[C@H](C)[NH2+]CCF 1198641154 761716549 /nfs/dbraw/zinc/71/65/49/761716549.db2.gz NDUGPCXVKZIZSH-VIFPVBQESA-N 1 1 182.242 2.010 10 0 AEAEMO Cc1cccnc1[C@@H](C)[NH2+]CCF 1198641153 761717315 /nfs/dbraw/zinc/71/73/15/761717315.db2.gz NDUGPCXVKZIZSH-SECBINFHSA-N 1 1 182.242 2.010 10 0 AEAEMO CC(C)C[N@H+]1CCCC[C@]12CCOC2 1198761677 761723821 /nfs/dbraw/zinc/72/38/21/761723821.db2.gz QBWQUUKLMIBCFP-GFCCVEGCSA-N 1 1 197.322 2.287 10 0 AEAEMO CC(C)C[N@H+]1CCCC[C@@]12CCOC2 1198761678 761724754 /nfs/dbraw/zinc/72/47/54/761724754.db2.gz QBWQUUKLMIBCFP-LBPRGKRZSA-N 1 1 197.322 2.287 10 0 AEAEMO C[C@H]1CC[N@H+]1C[C@@H]1CC=CCC1 1201408663 761748898 /nfs/dbraw/zinc/74/88/98/761748898.db2.gz IDKIQSBXYPOABF-WDEREUQCSA-N 1 1 165.280 2.437 10 0 AEAEMO CC1(F)C[NH+](C[C@@H]2CC=CCC2)C1 1201408750 761753061 /nfs/dbraw/zinc/75/30/61/761753061.db2.gz JLYFXGDSQUPGKV-SNVBAGLBSA-N 1 1 183.270 2.387 10 0 AEAEMO C[C@@H]1CC[N@H+]1C[C@@H]1CC=CCC1 1201408657 761753094 /nfs/dbraw/zinc/75/30/94/761753094.db2.gz IDKIQSBXYPOABF-GHMZBOCLSA-N 1 1 165.280 2.437 10 0 AEAEMO CC1(F)C[NH+](C[C@H]2CC=CCC2)C1 1201408749 761753730 /nfs/dbraw/zinc/75/37/30/761753730.db2.gz JLYFXGDSQUPGKV-JTQLQIEISA-N 1 1 183.270 2.387 10 0 AEAEMO C[C@H]1CC[N@H+]1C[C@H]1CC=CCC1 1201408662 761754655 /nfs/dbraw/zinc/75/46/55/761754655.db2.gz IDKIQSBXYPOABF-QWRGUYRKSA-N 1 1 165.280 2.437 10 0 AEAEMO C[C@@H]1CC[N@H+]1C[C@H]1CC=CCC1 1201408661 761756341 /nfs/dbraw/zinc/75/63/41/761756341.db2.gz IDKIQSBXYPOABF-MNOVXSKESA-N 1 1 165.280 2.437 10 0 AEAEMO CC(C)(C)C[N@H+]1CCC[C@@H]1CF 1201446673 761760705 /nfs/dbraw/zinc/76/07/05/761760705.db2.gz GXRZXTRZVGZCRT-SECBINFHSA-N 1 1 173.275 2.466 10 0 AEAEMO CCC[C@H](C)C[N@@H+]1C[C@H](F)[C@H](F)C1 1201538224 761774662 /nfs/dbraw/zinc/77/46/62/761774662.db2.gz CEXOHPRJIBZSSI-LPEHRKFASA-N 1 1 191.265 2.414 10 0 AEAEMO CCC[C@H](C)C[N@H+]1C[C@H](F)[C@H](F)C1 1201538224 761774666 /nfs/dbraw/zinc/77/46/66/761774666.db2.gz CEXOHPRJIBZSSI-LPEHRKFASA-N 1 1 191.265 2.414 10 0 AEAEMO CCC[C@H](C)C[NH+]1C[C@@H](F)[C@H](F)C1 1201538223 761775261 /nfs/dbraw/zinc/77/52/61/761775261.db2.gz CEXOHPRJIBZSSI-IVZWLZJFSA-N 1 1 191.265 2.414 10 0 AEAEMO CCC(CC)C[N@H+]1CC[C@@]12CCOC2 1201534662 761775408 /nfs/dbraw/zinc/77/54/08/761775408.db2.gz MQEUSOMZKVEBHS-LBPRGKRZSA-N 1 1 197.322 2.287 10 0 AEAEMO CCC(CC)C[N@@H+](C)C1(C)COC1 1201536307 761776202 /nfs/dbraw/zinc/77/62/02/761776202.db2.gz XLYJMKRDRVKXNG-UHFFFAOYSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC(CC)C[N@H+]1CC[C@]12CCOC2 1201534661 761776817 /nfs/dbraw/zinc/77/68/17/761776817.db2.gz MQEUSOMZKVEBHS-GFCCVEGCSA-N 1 1 197.322 2.287 10 0 AEAEMO CCC[C@@H](C)C[N@@H+]1C[C@H](F)[C@H](F)C1 1201538222 761777210 /nfs/dbraw/zinc/77/72/10/761777210.db2.gz CEXOHPRJIBZSSI-BBBLOLIVSA-N 1 1 191.265 2.414 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1C[C@H](F)[C@H](F)C1 1201538222 761777215 /nfs/dbraw/zinc/77/72/15/761777215.db2.gz CEXOHPRJIBZSSI-BBBLOLIVSA-N 1 1 191.265 2.414 10 0 AEAEMO CCC[C@@H](C)C[NH+]1C[C@@H](F)[C@H](F)C1 1201538225 761777311 /nfs/dbraw/zinc/77/73/11/761777311.db2.gz CEXOHPRJIBZSSI-OPRDCNLKSA-N 1 1 191.265 2.414 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)C1(C)COC1 1201551544 761779517 /nfs/dbraw/zinc/77/95/17/761779517.db2.gz AOXGYOIUPNZXHU-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)C1(C)COC1 1201551543 761780740 /nfs/dbraw/zinc/78/07/40/761780740.db2.gz AOXGYOIUPNZXHU-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO CC[N@H+]1CCC12CCCC2 1201572913 761783166 /nfs/dbraw/zinc/78/31/66/761783166.db2.gz AOVJPSLVHCLPIM-UHFFFAOYSA-N 1 1 139.242 2.025 10 0 AEAEMO CCC[C@H](C)C[N@H+]1C[C@@H]2CCO[C@@H]2C1 1201551614 761784434 /nfs/dbraw/zinc/78/44/34/761784434.db2.gz BIADSNUMNGSCHZ-SDDRHHMPSA-N 1 1 197.322 2.143 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1C[C@@H]2CCO[C@@H]2C1 1201551613 761784890 /nfs/dbraw/zinc/78/48/90/761784890.db2.gz BIADSNUMNGSCHZ-GRYCIOLGSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[N@H+]1CC[C@@H]2CCC[C@H]2C1 1201573593 761786812 /nfs/dbraw/zinc/78/68/12/761786812.db2.gz ZUGSXMZGDSAERE-UWVGGRQHSA-N 1 1 153.269 2.128 10 0 AEAEMO CC[N@H+]1CC[C@@H]2CCC[C@@H]2C1 1201573594 761786901 /nfs/dbraw/zinc/78/69/01/761786901.db2.gz ZUGSXMZGDSAERE-VHSXEESVSA-N 1 1 153.269 2.128 10 0 AEAEMO CC[N@H+]1CC[C@H]2CCC[C@H]2C1 1201573595 761791095 /nfs/dbraw/zinc/79/10/95/761791095.db2.gz ZUGSXMZGDSAERE-ZJUUUORDSA-N 1 1 153.269 2.128 10 0 AEAEMO CC[N@H+]1CC[C@H]2CCC[C@@H]2C1 1201573592 761791910 /nfs/dbraw/zinc/79/19/10/761791910.db2.gz ZUGSXMZGDSAERE-NXEZZACHSA-N 1 1 153.269 2.128 10 0 AEAEMO C[C@@H]1CC[N@H+]1CCc1ccccc1 1201594400 761795609 /nfs/dbraw/zinc/79/56/09/761795609.db2.gz BLNNNQDLYZFGEC-LLVKDONJSA-N 1 1 175.275 2.323 10 0 AEAEMO C[C@H]1CC[N@H+]1CCc1ccccc1 1201594401 761798950 /nfs/dbraw/zinc/79/89/50/761798950.db2.gz BLNNNQDLYZFGEC-NSHDSACASA-N 1 1 175.275 2.323 10 0 AEAEMO CCC[N@H+]1CCC[C@H]1C(C)(C)OC 1201643459 761801548 /nfs/dbraw/zinc/80/15/48/761801548.db2.gz MDMSQVAHVGBJKC-JTQLQIEISA-N 1 1 185.311 2.286 10 0 AEAEMO CCC[N@H+]1C[C@H]2CC(F)(F)C[C@H]2C1 1201637049 761802354 /nfs/dbraw/zinc/80/23/54/761802354.db2.gz OUCGGGUFUHXAKD-DTORHVGOSA-N 1 1 189.249 2.374 10 0 AEAEMO CCC[N@H+]1CCC[C@@H]1C(C)(C)OC 1201643460 761802615 /nfs/dbraw/zinc/80/26/15/761802615.db2.gz MDMSQVAHVGBJKC-SNVBAGLBSA-N 1 1 185.311 2.286 10 0 AEAEMO CCCC[N@H+]1CCCCC12COC2 1201713704 761806795 /nfs/dbraw/zinc/80/67/95/761806795.db2.gz OWMYIUVRXFDJGB-UHFFFAOYSA-N 1 1 183.295 2.041 10 0 AEAEMO CCCCC[N@H+](C)Cc1ncccn1 1201725971 761807963 /nfs/dbraw/zinc/80/79/63/761807963.db2.gz WZEWEEMCVXJSPD-UHFFFAOYSA-N 1 1 193.294 2.099 10 0 AEAEMO CCCCC[N@@H+](C)Cc1ncccn1 1201725971 761807965 /nfs/dbraw/zinc/80/79/65/761807965.db2.gz WZEWEEMCVXJSPD-UHFFFAOYSA-N 1 1 193.294 2.099 10 0 AEAEMO CCCCCC[N@H+]1C[C@@H]2C[C@H]1CO2 1201754889 761809634 /nfs/dbraw/zinc/80/96/34/761809634.db2.gz LZVWQGXENQWNKB-QWRGUYRKSA-N 1 1 183.295 2.040 10 0 AEAEMO CCCCC[N@H+]1CC[C@]12CCOC2 1201745332 761809803 /nfs/dbraw/zinc/80/98/03/761809803.db2.gz VKFLJIROUXXFRI-LLVKDONJSA-N 1 1 183.295 2.041 10 0 AEAEMO CCCCCC[N@@H+](C)C1(C)COC1 1201754346 761809854 /nfs/dbraw/zinc/80/98/54/761809854.db2.gz UWPSEGVMKIJJLK-UHFFFAOYSA-N 1 1 185.311 2.287 10 0 AEAEMO CCCCCC[N@H+]1CCC12COC2 1201755169 761809827 /nfs/dbraw/zinc/80/98/27/761809827.db2.gz SSTNMNTVIJTQOW-UHFFFAOYSA-N 1 1 183.295 2.041 10 0 AEAEMO CCCCCC[N@H+]1CC[C@]12CCOC2 1201755967 761810113 /nfs/dbraw/zinc/81/01/13/761810113.db2.gz DIQNXCGFLZMDPS-GFCCVEGCSA-N 1 1 197.322 2.432 10 0 AEAEMO CCCCCC[N@H+]1C[C@@H]2CCO[C@@H]2C1 1201754128 761810208 /nfs/dbraw/zinc/81/02/08/761810208.db2.gz MYNCDRQGNFDCAN-NWDGAFQWSA-N 1 1 197.322 2.287 10 0 AEAEMO CCCCCC[NH+]1CC2(CCO2)C1 1201754167 761810273 /nfs/dbraw/zinc/81/02/73/761810273.db2.gz PJRBYFXCLBSPCM-UHFFFAOYSA-N 1 1 183.295 2.041 10 0 AEAEMO CCCCCC[N@H+]1C[C@@H]2C[C@H](C1)O2 1201754422 761810732 /nfs/dbraw/zinc/81/07/32/761810732.db2.gz XNUJBEZIYVAYJR-PHIMTYICSA-N 1 1 183.295 2.040 10 0 AEAEMO CCCCC[N@H+]1CC[C@@]12CCOC2 1201745334 761811013 /nfs/dbraw/zinc/81/10/13/761811013.db2.gz VKFLJIROUXXFRI-NSHDSACASA-N 1 1 183.295 2.041 10 0 AEAEMO CCCCCC[N@@H+](C)CC1COC1 1201754037 761811592 /nfs/dbraw/zinc/81/15/92/761811592.db2.gz IANKCBAQBHXALR-UHFFFAOYSA-N 1 1 185.311 2.145 10 0 AEAEMO CCCCCC[N@@H+](C)CCF 1201761869 761811655 /nfs/dbraw/zinc/81/16/55/761811655.db2.gz TUMMQAPFWOFLCN-UHFFFAOYSA-N 1 1 161.264 2.468 10 0 AEAEMO CCCCCC[N@H+]1CC[C@@]12CCOC2 1201755968 761811759 /nfs/dbraw/zinc/81/17/59/761811759.db2.gz DIQNXCGFLZMDPS-LBPRGKRZSA-N 1 1 197.322 2.432 10 0 AEAEMO C[N@@H+](CCC(C)(C)C)C1(C)COC1 1202096173 761815120 /nfs/dbraw/zinc/81/51/20/761815120.db2.gz IAVQQOWNZBTLLC-UHFFFAOYSA-N 1 1 185.311 2.143 10 0 AEAEMO C1CCC(C[N@H+]2CC[C@]23CCOC3)C1 1202190735 761818687 /nfs/dbraw/zinc/81/86/87/761818687.db2.gz PWHXDNMKZHXASL-GFCCVEGCSA-N 1 1 195.306 2.041 10 0 AEAEMO C1CCC(C[N@H+]2CC[C@@]23CCOC3)C1 1202190736 761819250 /nfs/dbraw/zinc/81/92/50/761819250.db2.gz PWHXDNMKZHXASL-LBPRGKRZSA-N 1 1 195.306 2.041 10 0 AEAEMO C[N@H+](Cc1ccncc1)CC1CCC1 1202696451 761829410 /nfs/dbraw/zinc/82/94/10/761829410.db2.gz AYDCSWNFGKCJRR-UHFFFAOYSA-N 1 1 190.290 2.314 10 0 AEAEMO CSCC[N@@H+](C)CC1CCC1 1202775220 761830031 /nfs/dbraw/zinc/83/00/31/761830031.db2.gz AILWPNCDVPHRJN-UHFFFAOYSA-N 1 1 173.325 2.081 10 0 AEAEMO Cc1cc(C[N@H+]2CCCC2(C)C)[nH]n1 1203070314 761834624 /nfs/dbraw/zinc/83/46/24/761834624.db2.gz OKFLMBOXVAIORA-UHFFFAOYSA-N 1 1 193.294 2.093 10 0 AEAEMO Cc1cc(C[N@@H+]2CCCC2(C)C)n[nH]1 1203070314 761834628 /nfs/dbraw/zinc/83/46/28/761834628.db2.gz OKFLMBOXVAIORA-UHFFFAOYSA-N 1 1 193.294 2.093 10 0 AEAEMO Cc1cc(C[N@H+]2CCCC2(C)C)n[nH]1 1203070314 761834631 /nfs/dbraw/zinc/83/46/31/761834631.db2.gz OKFLMBOXVAIORA-UHFFFAOYSA-N 1 1 193.294 2.093 10 0 AEAEMO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccco1 1203270644 761840311 /nfs/dbraw/zinc/84/03/11/761840311.db2.gz LPJZOXNBWDPAMU-BDAKNGLRSA-N 1 1 183.226 2.212 10 0 AEAEMO C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccco1 1203270644 761840312 /nfs/dbraw/zinc/84/03/12/761840312.db2.gz LPJZOXNBWDPAMU-BDAKNGLRSA-N 1 1 183.226 2.212 10 0 AEAEMO C[C@@H]1C[N@H+](Cc2ccco2)C[C@@H]1F 1203271113 761840341 /nfs/dbraw/zinc/84/03/41/761840341.db2.gz ZLLBGVCIAZHDHC-SCZZXKLOSA-N 1 1 183.226 2.069 10 0 AEAEMO C[C@@H]1C[N@@H+](Cc2ccco2)C[C@@H]1F 1203271113 761840343 /nfs/dbraw/zinc/84/03/43/761840343.db2.gz ZLLBGVCIAZHDHC-SCZZXKLOSA-N 1 1 183.226 2.069 10 0 AEAEMO c1coc(C[N@H+]2CCC3(CC3)C2)c1 1203272877 761841067 /nfs/dbraw/zinc/84/10/67/761841067.db2.gz OFYGMJHTXIGLGR-UHFFFAOYSA-N 1 1 177.247 2.266 10 0 AEAEMO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccco1 1203270645 761841379 /nfs/dbraw/zinc/84/13/79/761841379.db2.gz LPJZOXNBWDPAMU-RKDXNWHRSA-N 1 1 183.226 2.212 10 0 AEAEMO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccco1 1203270645 761841380 /nfs/dbraw/zinc/84/13/80/761841380.db2.gz LPJZOXNBWDPAMU-RKDXNWHRSA-N 1 1 183.226 2.212 10 0 AEAEMO c1coc(C[N@H+]2CCCC23CC3)c1 1203271091 761841590 /nfs/dbraw/zinc/84/15/90/761841590.db2.gz XIUHFUHYTJPVMO-UHFFFAOYSA-N 1 1 177.247 2.408 10 0 AEAEMO C[C@H]1CC[N@H+]1Cc1ccccc1F 1203346153 761842755 /nfs/dbraw/zinc/84/27/55/761842755.db2.gz HRKGZGHFAUHFFS-VIFPVBQESA-N 1 1 179.238 2.420 10 0 AEAEMO C[C@@H]1CC[N@H+]1Cc1ccccc1F 1203346147 761842972 /nfs/dbraw/zinc/84/29/72/761842972.db2.gz HRKGZGHFAUHFFS-SECBINFHSA-N 1 1 179.238 2.420 10 0 AEAEMO C[C@H]1CC[N@H+]1Cc1cccc(F)c1 1203784227 761845208 /nfs/dbraw/zinc/84/52/08/761845208.db2.gz NJOSMXBXVDTIIQ-VIFPVBQESA-N 1 1 179.238 2.420 10 0 AEAEMO C[C@@H]1CC[N@H+]1Cc1cccc(F)c1 1203784226 761845819 /nfs/dbraw/zinc/84/58/19/761845819.db2.gz NJOSMXBXVDTIIQ-SECBINFHSA-N 1 1 179.238 2.420 10 0 AEAEMO C[C@H]1CC[N@H+]1Cc1ccc(F)cc1 1203913202 761846618 /nfs/dbraw/zinc/84/66/18/761846618.db2.gz RIJFSFWIIRSWIM-VIFPVBQESA-N 1 1 179.238 2.420 10 0 AEAEMO C[C@@H]1CC[N@H+]1Cc1ccc(F)cc1 1203913197 761847949 /nfs/dbraw/zinc/84/79/49/761847949.db2.gz RIJFSFWIIRSWIM-SECBINFHSA-N 1 1 179.238 2.420 10 0 AEAEMO C[C@@H]1CC[N@H+]1Cc1cccs1 1204014699 761848739 /nfs/dbraw/zinc/84/87/39/761848739.db2.gz NNOZZAVVLINVJO-MRVPVSSYSA-N 1 1 167.277 2.342 10 0 AEAEMO C[C@H]1CC[N@H+]1Cc1ccsc1 1204034146 761849311 /nfs/dbraw/zinc/84/93/11/761849311.db2.gz BRFOGMZEZUIGNH-QMMMGPOBSA-N 1 1 167.277 2.342 10 0 AEAEMO C[C@@H]1CC[N@H+]1Cc1ccsc1 1204034139 761849534 /nfs/dbraw/zinc/84/95/34/761849534.db2.gz BRFOGMZEZUIGNH-MRVPVSSYSA-N 1 1 167.277 2.342 10 0 AEAEMO C[C@H]1CC[N@H+]1Cc1cccs1 1204014702 761850304 /nfs/dbraw/zinc/85/03/04/761850304.db2.gz NNOZZAVVLINVJO-QMMMGPOBSA-N 1 1 167.277 2.342 10 0 AEAEMO c1ccc(C[N@H+]2CCC[C@@H]3C[C@@H]32)nc1 1204062769 761851252 /nfs/dbraw/zinc/85/12/52/761851252.db2.gz QMWXUBQPQVXDHV-PWSUYJOCSA-N 1 1 188.274 2.066 10 0 AEAEMO c1cc(C[N@H+]2CCC[C@@H]3C[C@@H]32)ccn1 1204082401 761851622 /nfs/dbraw/zinc/85/16/22/761851622.db2.gz ZHQUMNKMBYWHRE-NEPJUHHUSA-N 1 1 188.274 2.066 10 0 AEAEMO C[C@@H]1C[N@H+](Cc2ccoc2)C[C@@H]1F 1204242662 761851817 /nfs/dbraw/zinc/85/18/17/761851817.db2.gz YOQPZDUTCAXGBM-SCZZXKLOSA-N 1 1 183.226 2.069 10 0 AEAEMO C[C@@H]1C[N@@H+](Cc2ccoc2)C[C@@H]1F 1204242662 761851818 /nfs/dbraw/zinc/85/18/18/761851818.db2.gz YOQPZDUTCAXGBM-SCZZXKLOSA-N 1 1 183.226 2.069 10 0 AEAEMO c1cc(C[N@H+]2CCCC23CC3)co1 1204241152 761852049 /nfs/dbraw/zinc/85/20/49/761852049.db2.gz XEDXDVZPVJPXDE-UHFFFAOYSA-N 1 1 177.247 2.408 10 0 AEAEMO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccoc1 1204242363 761852164 /nfs/dbraw/zinc/85/21/64/761852164.db2.gz SAJHUZDATASUQM-SCZZXKLOSA-N 1 1 183.226 2.212 10 0 AEAEMO C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccoc1 1204242363 761852167 /nfs/dbraw/zinc/85/21/67/761852167.db2.gz SAJHUZDATASUQM-SCZZXKLOSA-N 1 1 183.226 2.212 10 0 AEAEMO c1cc(C[N@H+]2CCC3(CC3)C2)co1 1204242364 761852225 /nfs/dbraw/zinc/85/22/25/761852225.db2.gz SFLLXQBALGKDSR-UHFFFAOYSA-N 1 1 177.247 2.266 10 0 AEAEMO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccoc1 1204241025 761852348 /nfs/dbraw/zinc/85/23/48/761852348.db2.gz SAJHUZDATASUQM-PSASIEDQSA-N 1 1 183.226 2.212 10 0 AEAEMO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccoc1 1204241025 761852349 /nfs/dbraw/zinc/85/23/49/761852349.db2.gz SAJHUZDATASUQM-PSASIEDQSA-N 1 1 183.226 2.212 10 0 AEAEMO FC[C@H]1CCC[N@@H+]1Cc1ccoc1 1204247090 761853032 /nfs/dbraw/zinc/85/30/32/761853032.db2.gz DMVJVLUPOPNABI-SNVBAGLBSA-N 1 1 183.226 2.214 10 0 AEAEMO FC[C@H]1CCC[N@H+]1Cc1ccoc1 1204247090 761853033 /nfs/dbraw/zinc/85/30/33/761853033.db2.gz DMVJVLUPOPNABI-SNVBAGLBSA-N 1 1 183.226 2.214 10 0 AEAEMO CC[N@@H+](C)Cc1ccc(F)c(OC)c1 1204555333 761853160 /nfs/dbraw/zinc/85/31/60/761853160.db2.gz NQVHCYUBPZEHBO-UHFFFAOYSA-N 1 1 197.253 2.286 10 0 AEAEMO C[N@@H+](CC1CC1)C[C@@]1(C)CCCCO1 1204374273 761854220 /nfs/dbraw/zinc/85/42/20/761854220.db2.gz HHXCTDYKDPVXOR-GFCCVEGCSA-N 1 1 197.322 2.287 10 0 AEAEMO C[N@@H+](CC1CC1)C[C@]1(C)CCCCO1 1204374274 761854587 /nfs/dbraw/zinc/85/45/87/761854587.db2.gz HHXCTDYKDPVXOR-LBPRGKRZSA-N 1 1 197.322 2.287 10 0 AEAEMO CC[C@@H]1CC[N@@H+](C[C@@H](C)COC)[C@@H]1C 1205471862 761931174 /nfs/dbraw/zinc/93/11/74/761931174.db2.gz SWMDTENQCQRKNI-IJLUTSLNSA-N 1 1 199.338 2.389 10 0 AEAEMO CC[C@@H]1CC[N@@H+](C[C@@H](C)COC)[C@H]1C 1205471861 761931684 /nfs/dbraw/zinc/93/16/84/761931684.db2.gz SWMDTENQCQRKNI-GRYCIOLGSA-N 1 1 199.338 2.389 10 0 AEAEMO CC[C@@H]1CC[N@@H+](C[C@H](C)COC)[C@@H]1C 1205471863 761931827 /nfs/dbraw/zinc/93/18/27/761931827.db2.gz SWMDTENQCQRKNI-QJPTWQEYSA-N 1 1 199.338 2.389 10 0 AEAEMO CC[C@@H]1CC[N@@H+](C[C@H](C)COC)[C@H]1C 1205471864 761933700 /nfs/dbraw/zinc/93/37/00/761933700.db2.gz SWMDTENQCQRKNI-SDDRHHMPSA-N 1 1 199.338 2.389 10 0 AEAEMO CCCCC[N@@H+](C)Cc1ccn(C)n1 1206256819 762068445 /nfs/dbraw/zinc/06/84/45/762068445.db2.gz CQIPPOBIHWTICL-UHFFFAOYSA-N 1 1 195.310 2.042 10 0 AEAEMO C[N@@H+](CCC1CCCC1)CC1COC1 1208694472 762256309 /nfs/dbraw/zinc/25/63/09/762256309.db2.gz PTJSRKIVXQJHFU-UHFFFAOYSA-N 1 1 197.322 2.145 10 0 AEAEMO CC(C)CCC[N@H+]1C[C@@H]2CCO[C@@H]2C1 1208737377 762262016 /nfs/dbraw/zinc/26/20/16/762262016.db2.gz YXWQALABOVLKKH-NWDGAFQWSA-N 1 1 197.322 2.143 10 0 AEAEMO CC(C)CCC[N@@H+](C)C1(C)COC1 1208735440 762264206 /nfs/dbraw/zinc/26/42/06/762264206.db2.gz HWMBVYZGOGRYNZ-UHFFFAOYSA-N 1 1 185.311 2.143 10 0 AEAEMO CC(C)CCC[N@H+]1CC[C@]12CCOC2 1208737709 762265291 /nfs/dbraw/zinc/26/52/91/762265291.db2.gz YCTAPIIGFSEVPI-GFCCVEGCSA-N 1 1 197.322 2.287 10 0 AEAEMO CC(C)CCC[N@H+]1CC[C@@]12CCOC2 1208737710 762265960 /nfs/dbraw/zinc/26/59/60/762265960.db2.gz YCTAPIIGFSEVPI-LBPRGKRZSA-N 1 1 197.322 2.287 10 0 AEAEMO C[C@H](C[N@H+](C)CCF)C(F)(F)F 1208898037 762271692 /nfs/dbraw/zinc/27/16/92/762271692.db2.gz KOFSHNZSYWXBNM-ZCFIWIBFSA-N 1 1 187.180 2.086 10 0 AEAEMO C[C@H](C[N@@H+](C)CCF)C(F)(F)F 1208898037 762271704 /nfs/dbraw/zinc/27/17/04/762271704.db2.gz KOFSHNZSYWXBNM-ZCFIWIBFSA-N 1 1 187.180 2.086 10 0 AEAEMO C[C@@H](C[N@H+](C)CCF)C(F)(F)F 1208898036 762273838 /nfs/dbraw/zinc/27/38/38/762273838.db2.gz KOFSHNZSYWXBNM-LURJTMIESA-N 1 1 187.180 2.086 10 0 AEAEMO C[C@@H](C[N@@H+](C)CCF)C(F)(F)F 1208898036 762273847 /nfs/dbraw/zinc/27/38/47/762273847.db2.gz KOFSHNZSYWXBNM-LURJTMIESA-N 1 1 187.180 2.086 10 0 AEAEMO COCCC[N@H+]1CC[C@@H]2CCC[C@H]2C1 1209048832 762276514 /nfs/dbraw/zinc/27/65/14/762276514.db2.gz RNZWHPYSXQWHBX-RYUDHWBXSA-N 1 1 197.322 2.145 10 0 AEAEMO COCCC[N@H+]1CC[C@@H]2CCC[C@@H]2C1 1209048831 762277919 /nfs/dbraw/zinc/27/79/19/762277919.db2.gz RNZWHPYSXQWHBX-NWDGAFQWSA-N 1 1 197.322 2.145 10 0 AEAEMO COCCC[N@H+]1CC[C@H]2CCC[C@@H]2C1 1209048833 762279017 /nfs/dbraw/zinc/27/90/17/762279017.db2.gz RNZWHPYSXQWHBX-VXGBXAGGSA-N 1 1 197.322 2.145 10 0 AEAEMO COCCC[N@H+]1CC[C@H]2CCC[C@H]2C1 1209048830 762280162 /nfs/dbraw/zinc/28/01/62/762280162.db2.gz RNZWHPYSXQWHBX-NEPJUHHUSA-N 1 1 197.322 2.145 10 0 AEAEMO C[C@@H]1CC[N@H+]1CCc1cccs1 1209221510 762296238 /nfs/dbraw/zinc/29/62/38/762296238.db2.gz AOVFPFYBJDZOAL-SECBINFHSA-N 1 1 181.304 2.385 10 0 AEAEMO C[C@H]1CC[N@H+]1CCc1cccs1 1209221517 762296733 /nfs/dbraw/zinc/29/67/33/762296733.db2.gz AOVFPFYBJDZOAL-VIFPVBQESA-N 1 1 181.304 2.385 10 0 AEAEMO CCc1ccc(C[N@H+]2CC[C@@H]2C)nc1 1231637495 764535017 /nfs/dbraw/zinc/53/50/17/764535017.db2.gz HHQLPHMKXHAMSS-JTQLQIEISA-N 1 1 190.290 2.238 10 0 AEAEMO CCc1ccc(C[N@H+]2CC[C@H]2C)nc1 1231637496 764535204 /nfs/dbraw/zinc/53/52/04/764535204.db2.gz HHQLPHMKXHAMSS-SNVBAGLBSA-N 1 1 190.290 2.238 10 0 AEAEMO CC1CC([N@@H+](C)Cc2ccns2)C1 1232188682 764537101 /nfs/dbraw/zinc/53/71/01/764537101.db2.gz ISFCFLPQELCQDC-UHFFFAOYSA-N 1 1 196.319 2.373 10 0 AEAEMO C[C@@H]1CCC[N@@H+](Cc2cnsc2)C1 1232225020 764537147 /nfs/dbraw/zinc/53/71/47/764537147.db2.gz UXEWKPUFICYUKU-SECBINFHSA-N 1 1 196.319 2.375 10 0 AEAEMO c1cc(C[N@H+]2CCC[C@@H]3C[C@@H]32)sn1 1232194198 764537633 /nfs/dbraw/zinc/53/76/33/764537633.db2.gz PSBCPRSANQRDLS-SCZZXKLOSA-N 1 1 194.303 2.127 10 0 AEAEMO c1cc(C[N@H+]2CCC3(CC3)C2)sn1 1232188743 764538248 /nfs/dbraw/zinc/53/82/48/764538248.db2.gz LDOQHRHBVUUMJW-UHFFFAOYSA-N 1 1 194.303 2.129 10 0 AEAEMO c1nscc1C[N@@H+]1CCC[C@@H]2C[C@@H]21 1232229838 764538630 /nfs/dbraw/zinc/53/86/30/764538630.db2.gz WOKYTIFPKRHDTP-ZJUUUORDSA-N 1 1 194.303 2.127 10 0 AEAEMO c1nscc1C[N@H+]1CCC[C@@H]2C[C@@H]21 1232229838 764538648 /nfs/dbraw/zinc/53/86/48/764538648.db2.gz WOKYTIFPKRHDTP-ZJUUUORDSA-N 1 1 194.303 2.127 10 0 AEAEMO C[C@H]1CCC[N@H+]1Cc1cnsc1 1232225257 764539111 /nfs/dbraw/zinc/53/91/11/764539111.db2.gz YWRXBOPGCBATKF-QMMMGPOBSA-N 1 1 182.292 2.127 10 0 AEAEMO c1nscc1C[N@@H+]1CCC[C@H]2C[C@H]21 1232229837 764540263 /nfs/dbraw/zinc/54/02/63/764540263.db2.gz WOKYTIFPKRHDTP-VHSXEESVSA-N 1 1 194.303 2.127 10 0 AEAEMO c1nscc1C[N@H+]1CCC[C@H]2C[C@H]21 1232229837 764540275 /nfs/dbraw/zinc/54/02/75/764540275.db2.gz WOKYTIFPKRHDTP-VHSXEESVSA-N 1 1 194.303 2.127 10 0 AEAEMO Cc1scnc1C[N@H+]1CC[C@@H]1C 1232204847 764540341 /nfs/dbraw/zinc/54/03/41/764540341.db2.gz ADCQRPMCUFTPTN-ZETCQYMHSA-N 1 1 182.292 2.046 10 0 AEAEMO Cc1scnc1C[N@@H+]1CC[C@@H]1C 1232204847 764540349 /nfs/dbraw/zinc/54/03/49/764540349.db2.gz ADCQRPMCUFTPTN-ZETCQYMHSA-N 1 1 182.292 2.046 10 0 AEAEMO C[C@H]1CCC[N@@H+](Cc2cnsc2)C1 1232225021 764541372 /nfs/dbraw/zinc/54/13/72/764541372.db2.gz UXEWKPUFICYUKU-VIFPVBQESA-N 1 1 196.319 2.375 10 0 AEAEMO c1nscc1C[N@H+]1CCC2(CC2)C1 1232226874 764541693 /nfs/dbraw/zinc/54/16/93/764541693.db2.gz ZMNLBVYXAMRYTP-UHFFFAOYSA-N 1 1 194.303 2.129 10 0 AEAEMO Cc1scnc1C[N@H+]1CC[C@H]1C 1232204844 764541753 /nfs/dbraw/zinc/54/17/53/764541753.db2.gz ADCQRPMCUFTPTN-SSDOTTSWSA-N 1 1 182.292 2.046 10 0 AEAEMO Cc1scnc1C[N@@H+]1CC[C@H]1C 1232204844 764541759 /nfs/dbraw/zinc/54/17/59/764541759.db2.gz ADCQRPMCUFTPTN-SSDOTTSWSA-N 1 1 182.292 2.046 10 0 AEAEMO C[C@@H]1CCC[N@H+]1Cc1cnsc1 1232225256 764542096 /nfs/dbraw/zinc/54/20/96/764542096.db2.gz YWRXBOPGCBATKF-MRVPVSSYSA-N 1 1 182.292 2.127 10 0 AEAEMO CC1CC([N@@H+](C)Cc2cnsc2)C1 1232225025 764542150 /nfs/dbraw/zinc/54/21/50/764542150.db2.gz VAUWJCHWQJIOOA-UHFFFAOYSA-N 1 1 196.319 2.373 10 0 AEAEMO Cc1cc(C)c(C[N@@H+]2CC[C@H]2C)cn1 1233008920 764554014 /nfs/dbraw/zinc/55/40/14/764554014.db2.gz WKGXLRIJKUGHQF-LLVKDONJSA-N 1 1 190.290 2.293 10 0 AEAEMO Cc1cc(C)c(C[N@@H+]2CC[C@@H]2C)cn1 1233008921 764558225 /nfs/dbraw/zinc/55/82/25/764558225.db2.gz WKGXLRIJKUGHQF-NSHDSACASA-N 1 1 190.290 2.293 10 0 AEAEMO Cc1ncc(C[N@@H+](C)CC2CCC2)o1 1233367256 764564068 /nfs/dbraw/zinc/56/40/68/764564068.db2.gz VJJUABHCUZFIQA-UHFFFAOYSA-N 1 1 194.278 2.215 10 0 AEAEMO Cc1cnc(F)c(C[N@H+]2CC[C@@H]2C)c1 1235327482 764598045 /nfs/dbraw/zinc/59/80/45/764598045.db2.gz FLEPEQYLXWKDJB-VIFPVBQESA-N 1 1 194.253 2.123 10 0 AEAEMO Cc1cnc(F)c(C[N@@H+]2CC[C@@H]2C)c1 1235327482 764598052 /nfs/dbraw/zinc/59/80/52/764598052.db2.gz FLEPEQYLXWKDJB-VIFPVBQESA-N 1 1 194.253 2.123 10 0 AEAEMO Cc1cnc(F)c(C[N@H+]2CC[C@H]2C)c1 1235327480 764600126 /nfs/dbraw/zinc/60/01/26/764600126.db2.gz FLEPEQYLXWKDJB-SECBINFHSA-N 1 1 194.253 2.123 10 0 AEAEMO Cc1cnc(F)c(C[N@@H+]2CC[C@H]2C)c1 1235327480 764600129 /nfs/dbraw/zinc/60/01/29/764600129.db2.gz FLEPEQYLXWKDJB-SECBINFHSA-N 1 1 194.253 2.123 10 0 AEAEMO CCCCCC[N@H+]1CCNC2(CC2)C1 1235932285 764612641 /nfs/dbraw/zinc/61/26/41/764612641.db2.gz GUHWKKYPXBRHCP-UHFFFAOYSA-N 1 1 196.338 2.005 10 0 AEAEMO CCCCCCN1CC[NH2+]C2(CC2)C1 1235932285 764612645 /nfs/dbraw/zinc/61/26/45/764612645.db2.gz GUHWKKYPXBRHCP-UHFFFAOYSA-N 1 1 196.338 2.005 10 0 AEAEMO CCc1ncc(C[N@H+]2CC[C@H]2C)s1 1237821199 764712486 /nfs/dbraw/zinc/71/24/86/764712486.db2.gz LASLDLFNVYWPCC-MRVPVSSYSA-N 1 1 196.319 2.300 10 0 AEAEMO CCc1ncc(C[N@H+]2CC[C@@H]2C)s1 1237821206 764715623 /nfs/dbraw/zinc/71/56/23/764715623.db2.gz LASLDLFNVYWPCC-QMMMGPOBSA-N 1 1 196.319 2.300 10 0 AEAEMO CCCC[N@@H+](C)Cc1cncnc1C 1238168532 764718944 /nfs/dbraw/zinc/71/89/44/764718944.db2.gz RRQSIUDNLLPVCZ-UHFFFAOYSA-N 1 1 193.294 2.017 10 0 AEAEMO Cc1c[nH+]c(-c2cncs2)cc1N 1241496538 764969348 /nfs/dbraw/zinc/96/93/48/764969348.db2.gz KFYHIWURYICAAL-UHFFFAOYSA-N 1 1 191.259 2.096 10 0 AEAEMO CCCCC[C@@H](CC)[N@@H+](C)CCO 1246915037 765335573 /nfs/dbraw/zinc/33/55/73/765335573.db2.gz UOROXELSYHVIRJ-LLVKDONJSA-N 1 1 187.327 2.269 10 0 AEAEMO CCCCC[C@H](CC)[N@@H+](C)CCO 1246915042 765337600 /nfs/dbraw/zinc/33/76/00/765337600.db2.gz UOROXELSYHVIRJ-NSHDSACASA-N 1 1 187.327 2.269 10 0 AEAEMO CC(C)=CCC[C@H](C)[N@H+](C)C[C@H](C)N 1246979483 765339855 /nfs/dbraw/zinc/33/98/55/765339855.db2.gz BCUBCFPVTOQQOR-RYUDHWBXSA-N 1 1 198.354 2.400 10 0 AEAEMO CC(C)=CCC[C@H](C)N(C)C[C@H](C)[NH3+] 1246979483 765339864 /nfs/dbraw/zinc/33/98/64/765339864.db2.gz BCUBCFPVTOQQOR-RYUDHWBXSA-N 1 1 198.354 2.400 10 0 AEAEMO CC(C)=CCC[C@@H](C)[N@H+](C)C[C@H](C)N 1246979482 765343360 /nfs/dbraw/zinc/34/33/60/765343360.db2.gz BCUBCFPVTOQQOR-NWDGAFQWSA-N 1 1 198.354 2.400 10 0 AEAEMO CC(C)=CCC[C@@H](C)N(C)C[C@H](C)[NH3+] 1246979482 765343367 /nfs/dbraw/zinc/34/33/67/765343367.db2.gz BCUBCFPVTOQQOR-NWDGAFQWSA-N 1 1 198.354 2.400 10 0 AEAEMO Fc1ccc(F)c(Cc2[nH]cc[nH+]2)c1 1250091374 766909399 /nfs/dbraw/zinc/90/93/99/766909399.db2.gz MMHOABQXILQZAJ-UHFFFAOYSA-N 1 1 194.184 2.279 10 0 AEAEMO CCCC[C@H](O)C[N@H+]1CCCC[C@H]1C 1252076393 767113031 /nfs/dbraw/zinc/11/30/31/767113031.db2.gz KMNYYGKZZPUNSS-NEPJUHHUSA-N 1 1 199.338 2.412 10 0 AEAEMO CCCC[C@@H](O)C[N@H+]1CCCC[C@@H]1C 1252076395 767116113 /nfs/dbraw/zinc/11/61/13/767116113.db2.gz KMNYYGKZZPUNSS-NWDGAFQWSA-N 1 1 199.338 2.412 10 0 AEAEMO CCCC[C@@H](O)C[N@H+]1CCCC[C@H]1C 1252076398 767116978 /nfs/dbraw/zinc/11/69/78/767116978.db2.gz KMNYYGKZZPUNSS-VXGBXAGGSA-N 1 1 199.338 2.412 10 0 AEAEMO CCCC[C@H](O)C[N@H+]1CCCC[C@@H]1C 1252076396 767117111 /nfs/dbraw/zinc/11/71/11/767117111.db2.gz KMNYYGKZZPUNSS-RYUDHWBXSA-N 1 1 199.338 2.412 10 0 AEAEMO C[C@H]1CC[C@@H]2[C@H](C)C[N@H+](C)C[C@@H]12 4098471 560195714 /nfs/dbraw/zinc/19/57/14/560195714.db2.gz HGTMGCDIPYGVKA-ZDCRXTMVSA-N 1 1 167.296 2.230 10 0 biogenic,in-vitro AEAEMO C[C@H]1CCC[C@H]2CCCC[N@@H+]12 5376157 560201498 /nfs/dbraw/zinc/20/14/98/560201498.db2.gz NVAZQVKYKZTHQP-VHSXEESVSA-N 1 1 153.269 2.413 10 0 in-vitro AEAEMO C[C@@H]1CCC[C@@H]2CCCC[N@H+]21 5369581 560201520 /nfs/dbraw/zinc/20/15/20/560201520.db2.gz NVAZQVKYKZTHQP-ZJUUUORDSA-N 1 1 153.269 2.413 10 0 in-vitro AEAEMO C[C@H]1CCC[C@@H]2CCCC[N@@H+]12 5376216 560201544 /nfs/dbraw/zinc/20/15/44/560201544.db2.gz NVAZQVKYKZTHQP-UWVGGRQHSA-N 1 1 153.269 2.413 10 0 in-vitro AEAEMO C[C@@H]1CCC[C@H]2CCCC[N@@H+]12 5369540 560201547 /nfs/dbraw/zinc/20/15/47/560201547.db2.gz NVAZQVKYKZTHQP-NXEZZACHSA-N 1 1 153.269 2.413 10 0 in-vitro AEAEMO CC#CC[N@H+](CC)C(C)(C)C 18689911 1169058454 /nfs/dbraw/zinc/05/84/54/1169058454.db2.gz CGIDXHIJSJBCJE-UHFFFAOYSA-N 1 1 153.269 2.130 10 0 AEAEMO CC[N@@H+](CCCF)C(C)(C)C 18682615 1169059138 /nfs/dbraw/zinc/05/91/38/1169059138.db2.gz ICIBULBKDRPKFX-UHFFFAOYSA-N 1 1 161.264 2.466 10 0 AEAEMO CCC(CC)[N@@H+](C)C1CC1 21369172 1169060153 /nfs/dbraw/zinc/06/01/53/1169060153.db2.gz GEDXXWDAIABYAR-UHFFFAOYSA-N 1 1 141.258 2.269 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)C1CC1 21399732 1169060309 /nfs/dbraw/zinc/06/03/09/1169060309.db2.gz OOOKJPIOQLUTHK-MRVPVSSYSA-N 1 1 141.258 2.269 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)C1CC1 21399736 1169061452 /nfs/dbraw/zinc/06/14/52/1169061452.db2.gz OOOKJPIOQLUTHK-QMMMGPOBSA-N 1 1 141.258 2.269 10 0 AEAEMO Cc1cc(C)c(C)c[nH+]1 31484307 1169064948 /nfs/dbraw/zinc/06/49/48/1169064948.db2.gz MNDSSKADVGDFDF-UHFFFAOYSA-N 1 1 121.183 2.007 10 0 AEAEMO C[N@@H+]1CC=C(c2ccsc2)CC1 28261241 1169065450 /nfs/dbraw/zinc/06/54/50/1169065450.db2.gz AVNVDRPZIJPSIW-UHFFFAOYSA-N 1 1 179.288 2.467 10 0 AEAEMO CCCC[N@@H+](C)C(C)C 32230939 1169067428 /nfs/dbraw/zinc/06/74/28/1169067428.db2.gz KKBDINYFLTTZAQ-UHFFFAOYSA-N 1 1 129.247 2.127 10 0 AEAEMO CCCCC[N@@H+](C)[C@@H]1CCCC[C@@H]1N 37165686 1169073729 /nfs/dbraw/zinc/07/37/29/1169073729.db2.gz LIJNCCNADWAPNT-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCN(C)[C@@H]1CCCC[C@@H]1[NH3+] 37165686 1169073736 /nfs/dbraw/zinc/07/37/36/1169073736.db2.gz LIJNCCNADWAPNT-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO C[N@@H+](C1CCCCCC1)C(C)(C)CN 36328356 1169074798 /nfs/dbraw/zinc/07/47/98/1169074798.db2.gz NJZDAEJIZIQSJX-UHFFFAOYSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[N@@H+](C)[C@H]1CCCC[C@@H]1N 37165688 1169075743 /nfs/dbraw/zinc/07/57/43/1169075743.db2.gz LIJNCCNADWAPNT-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCN(C)[C@H]1CCCC[C@@H]1[NH3+] 37165688 1169075753 /nfs/dbraw/zinc/07/57/53/1169075753.db2.gz LIJNCCNADWAPNT-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@@H](C)C[C@@H](CC)N1CC[NH2+]CC1 38086602 1169077923 /nfs/dbraw/zinc/07/79/23/1169077923.db2.gz VYRVEHBUVTTXTH-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)C[C@H](CC)N1CC[NH2+]CC1 38086605 1169078824 /nfs/dbraw/zinc/07/88/24/1169078824.db2.gz VYRVEHBUVTTXTH-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](C[C@H](C)CC)N1CC[NH2+]CC1 38086604 1169079368 /nfs/dbraw/zinc/07/93/68/1169079368.db2.gz VYRVEHBUVTTXTH-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO C[N@@H+](Cc1ncccc1O)C(C)(C)C 38338913 1169083986 /nfs/dbraw/zinc/08/39/86/1169083986.db2.gz SQSYIRQYNIKTNQ-UHFFFAOYSA-N 1 1 194.278 2.018 10 0 AEAEMO CCCC[N@H+](C)CCN(CC)CC 41203640 1169088952 /nfs/dbraw/zinc/08/89/52/1169088952.db2.gz HQUJKSSHYBEWOZ-UHFFFAOYSA-N 1 1 186.343 2.060 10 0 AEAEMO CCCC[N@@H+](C)CCN(CC)CC 41203640 1169088959 /nfs/dbraw/zinc/08/89/59/1169088959.db2.gz HQUJKSSHYBEWOZ-UHFFFAOYSA-N 1 1 186.343 2.060 10 0 AEAEMO CC(C)CC[C@H](C)N1CCC[C@H]([NH3+])C1 41027702 1169089749 /nfs/dbraw/zinc/08/97/49/1169089749.db2.gz YACBUJYGRHNEKD-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CC[C@H](C)[N@@H+]1CCC[C@H](N)C1 41027702 1169089754 /nfs/dbraw/zinc/08/97/54/1169089754.db2.gz YACBUJYGRHNEKD-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CC[C@H](C)[N@H+]1CCC[C@H](N)C1 41027702 1169089761 /nfs/dbraw/zinc/08/97/61/1169089761.db2.gz YACBUJYGRHNEKD-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CC[C@@H](C)N1CCC[C@H]([NH3+])C1 41027701 1169090017 /nfs/dbraw/zinc/09/00/17/1169090017.db2.gz YACBUJYGRHNEKD-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CC[C@@H](C)[N@@H+]1CCC[C@H](N)C1 41027701 1169090022 /nfs/dbraw/zinc/09/00/22/1169090022.db2.gz YACBUJYGRHNEKD-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CC[C@@H](C)[N@H+]1CCC[C@H](N)C1 41027701 1169090030 /nfs/dbraw/zinc/09/00/30/1169090030.db2.gz YACBUJYGRHNEKD-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)[N@@H+](C)CCCCCO 51019842 1169091807 /nfs/dbraw/zinc/09/18/07/1169091807.db2.gz QPPQRUDQUNHHAL-UHFFFAOYSA-N 1 1 187.327 2.269 10 0 AEAEMO CCCC[C@H](C)[N@H+]1CCC(=O)[C@H](C)C1 50888974 1169091939 /nfs/dbraw/zinc/09/19/39/1169091939.db2.gz OXDZUQFXGFVKGH-MNOVXSKESA-N 1 1 197.322 2.476 10 0 AEAEMO CCCNc1nc(C)[nH+]c(C)c1C 50864322 1169092081 /nfs/dbraw/zinc/09/20/81/1169092081.db2.gz FOKICPDAZAABFJ-UHFFFAOYSA-N 1 1 179.267 2.224 10 0 AEAEMO CCCNc1cc(C)[nH+]c(CC)n1 50848987 1169092532 /nfs/dbraw/zinc/09/25/32/1169092532.db2.gz XOIOSYZJDIPRMY-UHFFFAOYSA-N 1 1 179.267 2.169 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCCC[C@@H]1CO 51323799 1169092722 /nfs/dbraw/zinc/09/27/22/1169092722.db2.gz BOAUZJAVWNSOMD-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)[N@@H+](CCCCCO)CC1CC1 51020025 1169092861 /nfs/dbraw/zinc/09/28/61/1169092861.db2.gz MCTRPIKWXZWHMT-UHFFFAOYSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCCC[C@@H]1CO 51323800 1169093269 /nfs/dbraw/zinc/09/32/69/1169093269.db2.gz BOAUZJAVWNSOMD-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC(CC)[N@H+](C)[C@H]1CCCCNC1 54135078 1169094099 /nfs/dbraw/zinc/09/40/99/1169094099.db2.gz BTJMUNLZXARHAZ-LBPRGKRZSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@H]1CCCCNC1 54135078 1169094107 /nfs/dbraw/zinc/09/41/07/1169094107.db2.gz BTJMUNLZXARHAZ-LBPRGKRZSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC1CCC([N@@H+](C)CCN)CC1 54416671 1169094505 /nfs/dbraw/zinc/09/45/05/1169094505.db2.gz SFYGZGNLXWWZBE-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC1CCC(N(C)CC[NH3+])CC1 54416671 1169094512 /nfs/dbraw/zinc/09/45/12/1169094512.db2.gz SFYGZGNLXWWZBE-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCC[N@H+]1[C@H]2CC[C@@H]1CC(=O)C2 54603062 1169095636 /nfs/dbraw/zinc/09/56/36/1169095636.db2.gz YRSJMYQHGDKRPL-PHIMTYICSA-N 1 1 195.306 2.373 10 0 AEAEMO CCC(CC)[N@H+](C)[C@@H]1CCCCNC1 54135077 1169096177 /nfs/dbraw/zinc/09/61/77/1169096177.db2.gz BTJMUNLZXARHAZ-GFCCVEGCSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@H]1CCCCNC1 54135077 1169096185 /nfs/dbraw/zinc/09/61/85/1169096185.db2.gz BTJMUNLZXARHAZ-GFCCVEGCSA-N 1 1 198.354 2.249 10 0 AEAEMO c1nc(C[NH2+]CCC2CCCC2)c[nH]1 54765008 1169096459 /nfs/dbraw/zinc/09/64/59/1169096459.db2.gz JIEJPTXJBVCUSP-UHFFFAOYSA-N 1 1 193.294 2.080 10 0 AEAEMO CC1=CC[N@@H+](C(C)C)CC1 60253022 1169098046 /nfs/dbraw/zinc/09/80/46/1169098046.db2.gz NFHDHHCVUBPOGD-UHFFFAOYSA-N 1 1 139.242 2.047 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)CC 60019226 1169098341 /nfs/dbraw/zinc/09/83/41/1169098341.db2.gz CVROJDQHTFJRIE-MRVPVSSYSA-N 1 1 129.247 2.127 10 0 AEAEMO c1ccc(OCCc2[nH]cc[nH+]2)cc1 59847671 1169098389 /nfs/dbraw/zinc/09/83/89/1169098389.db2.gz WSHMYXBAUBPHLX-UHFFFAOYSA-N 1 1 188.230 2.031 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)CC 60019229 1169099113 /nfs/dbraw/zinc/09/91/13/1169099113.db2.gz CVROJDQHTFJRIE-QMMMGPOBSA-N 1 1 129.247 2.127 10 0 AEAEMO CCC[N@@H+]1CC=C(C)CC1 60237765 1169100054 /nfs/dbraw/zinc/10/00/54/1169100054.db2.gz LHNDCMZPWURDBV-UHFFFAOYSA-N 1 1 139.242 2.048 10 0 AEAEMO CC(C)[N@@H+](C)C1CCCC1 60260738 1169100717 /nfs/dbraw/zinc/10/07/17/1169100717.db2.gz ITPBSMMJZILZMS-UHFFFAOYSA-N 1 1 141.258 2.269 10 0 AEAEMO CCC(CC)[N@@H+](C)CC 82125143 1169106610 /nfs/dbraw/zinc/10/66/10/1169106610.db2.gz OKGGHIDPQJWJTI-UHFFFAOYSA-N 1 1 129.247 2.127 10 0 AEAEMO C[NH+](C)Cc1cccc(O)c1Cl 82128694 1169106709 /nfs/dbraw/zinc/10/67/09/1169106709.db2.gz BHSRUXIKJOPOEL-UHFFFAOYSA-N 1 1 185.654 2.107 10 0 AEAEMO CCCC[C@@H]([NH3+])c1nnc(C2CC2)o1 83342362 1169112062 /nfs/dbraw/zinc/11/20/62/1169112062.db2.gz JNKRDLOOYWFHSX-MRVPVSSYSA-N 1 1 195.266 2.137 10 0 AEAEMO CCCC[C@H]([NH3+])c1nnc(C2CC2)o1 83342361 1169112613 /nfs/dbraw/zinc/11/26/13/1169112613.db2.gz JNKRDLOOYWFHSX-QMMMGPOBSA-N 1 1 195.266 2.137 10 0 AEAEMO CCC[C@@H]([NH3+])c1nnc(CC(C)C)o1 83342796 1169113032 /nfs/dbraw/zinc/11/30/32/1169113032.db2.gz MVIJIZLSZAIICJ-MRVPVSSYSA-N 1 1 197.282 2.068 10 0 AEAEMO CCC[C@@H]([NH3+])c1nnc(C2CCC2)o1 83342371 1169113205 /nfs/dbraw/zinc/11/32/05/1169113205.db2.gz WPJLJNJIUFNMKJ-MRVPVSSYSA-N 1 1 195.266 2.137 10 0 AEAEMO CCCCC[C@H](CC)N1CC[NH2+]CC1 83343019 1169114074 /nfs/dbraw/zinc/11/40/74/1169114074.db2.gz HJNVPZSJOVVVQU-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCC[C@@H](CC)N1CC[NH2+]CC1 83343018 1169114114 /nfs/dbraw/zinc/11/41/14/1169114114.db2.gz HJNVPZSJOVVVQU-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO Cc1cnccc1-c1ccc(N)[nH+]c1C 85729310 1169119909 /nfs/dbraw/zinc/11/99/09/1169119909.db2.gz ZOWBSAFZYSMMDS-UHFFFAOYSA-N 1 1 199.257 2.343 10 0 AEAEMO Cc1ccncc1-c1ccc(N)[nH+]c1C 85729315 1169120190 /nfs/dbraw/zinc/12/01/90/1169120190.db2.gz LYGMBHUTOZRNND-UHFFFAOYSA-N 1 1 199.257 2.343 10 0 AEAEMO C[NH+](C)Cc1ccsc1Cl 88246620 1169127850 /nfs/dbraw/zinc/12/78/50/1169127850.db2.gz FUMQADPNBJRINA-UHFFFAOYSA-N 1 1 175.684 2.463 10 0 AEAEMO CC(C)CCCC[NH2+]Cc1c[nH]cn1 96867494 1169132158 /nfs/dbraw/zinc/13/21/58/1169132158.db2.gz KGVFYGZFQZOYEQ-UHFFFAOYSA-N 1 1 195.310 2.326 10 0 AEAEMO C[C@@H]1C[N@H+](Cc2ccoc2)C[C@@H]1C 306332258 673916273 /nfs/dbraw/zinc/91/62/73/673916273.db2.gz RPAPBGSZYSCPDA-AOOOYVTPSA-N 1 1 179.263 2.367 10 0 AEAEMO CC(=O)[C@H]1CCC[N@H+]([C@H](C)C(C)C)C1 306326672 673915928 /nfs/dbraw/zinc/91/59/28/673915928.db2.gz JDSSVBWPEXWMOP-PWSUYJOCSA-N 1 1 197.322 2.332 10 0 AEAEMO CC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(C)C)C1 306326671 673915935 /nfs/dbraw/zinc/91/59/35/673915935.db2.gz JDSSVBWPEXWMOP-JQWIXIFHSA-N 1 1 197.322 2.332 10 0 AEAEMO CC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(C)C)C1 306326673 673916225 /nfs/dbraw/zinc/91/62/25/673916225.db2.gz JDSSVBWPEXWMOP-ZYHUDNBSSA-N 1 1 197.322 2.332 10 0 AEAEMO CC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(C)C)C1 306326669 673916239 /nfs/dbraw/zinc/91/62/39/673916239.db2.gz JDSSVBWPEXWMOP-CMPLNLGQSA-N 1 1 197.322 2.332 10 0 AEAEMO CCC1(CC)CCC[N@H+]1C[C@@H](C)CO 721418234 673916939 /nfs/dbraw/zinc/91/69/39/673916939.db2.gz XZTDUFPPKQHJIL-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@H](O)C[N@H+]1CCCC1(CC)CC 721417367 673916944 /nfs/dbraw/zinc/91/69/44/673916944.db2.gz VAMXXXSAUPYKQA-LLVKDONJSA-N 1 1 199.338 2.412 10 0 AEAEMO CC[C@H](O)C[N@H+]1CCCC1(CC)CC 721417369 673916973 /nfs/dbraw/zinc/91/69/73/673916973.db2.gz VAMXXXSAUPYKQA-NSHDSACASA-N 1 1 199.338 2.412 10 0 AEAEMO CCC1(CC)CCC[N@H+]1CC[C@@H](C)O 721412772 673916999 /nfs/dbraw/zinc/91/69/99/673916999.db2.gz DRXXTURNCATCMX-LLVKDONJSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC1(CC)CCC[N@H+]1C[C@H](C)O 721414348 673917007 /nfs/dbraw/zinc/91/70/07/673917007.db2.gz ILJONSAGYIYIFD-JTQLQIEISA-N 1 1 185.311 2.022 10 0 AEAEMO CCC1(CC)CCC[N@H+]1C[C@H](C)CO 721418237 673917011 /nfs/dbraw/zinc/91/70/11/673917011.db2.gz XZTDUFPPKQHJIL-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CCC1(CC)CCC[N@H+]1CCCCO 721418261 673917022 /nfs/dbraw/zinc/91/70/22/673917022.db2.gz YMHIREXFDQBPHN-UHFFFAOYSA-N 1 1 199.338 2.414 10 0 AEAEMO CCC1(CC)CCC[N@H+]1CC[C@H](C)O 721412775 673917031 /nfs/dbraw/zinc/91/70/31/673917031.db2.gz DRXXTURNCATCMX-NSHDSACASA-N 1 1 199.338 2.412 10 0 AEAEMO CCC1(CC)CCC[N@H+]1CCCO 721415120 673917047 /nfs/dbraw/zinc/91/70/47/673917047.db2.gz LYYWBJSFWFIJIR-UHFFFAOYSA-N 1 1 185.311 2.023 10 0 AEAEMO CCC1(CC)CCC[N@H+]1C[C@@H](C)O 721414351 673917064 /nfs/dbraw/zinc/91/70/64/673917064.db2.gz ILJONSAGYIYIFD-SNVBAGLBSA-N 1 1 185.311 2.022 10 0 AEAEMO Cc1ncsc1C[N@H+]1CC[C@@H]2C[C@@H]21 307203340 673918062 /nfs/dbraw/zinc/91/80/62/673918062.db2.gz GYENYFDKNPKJHJ-BDAKNGLRSA-N 1 1 194.303 2.046 10 0 AEAEMO Cc1ncsc1C[N@H+]1CC[C@H]2C[C@H]21 307203341 673918078 /nfs/dbraw/zinc/91/80/78/673918078.db2.gz GYENYFDKNPKJHJ-DTWKUNHWSA-N 1 1 194.303 2.046 10 0 AEAEMO CC[N@@H+](CCN)C1CCC(C)(C)CC1 107141987 1169141116 /nfs/dbraw/zinc/14/11/16/1169141116.db2.gz PIGITEKPNCSVGB-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCOCC[C@@H]1C 307721050 673922189 /nfs/dbraw/zinc/92/21/89/673922189.db2.gz PUJROMWSAVAEFM-QWRGUYRKSA-N 1 1 185.311 2.143 10 0 AEAEMO C[N@H+](CCF)Cc1cccs1 307726482 673922416 /nfs/dbraw/zinc/92/24/16/673922416.db2.gz DEQREIUUSAWQPT-UHFFFAOYSA-N 1 1 173.256 2.149 10 0 AEAEMO C[N@@H+](CCF)Cc1cccs1 307726482 673922422 /nfs/dbraw/zinc/92/24/22/673922422.db2.gz DEQREIUUSAWQPT-UHFFFAOYSA-N 1 1 173.256 2.149 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCOCC[C@H]1C 307721051 673922600 /nfs/dbraw/zinc/92/26/00/673922600.db2.gz PUJROMWSAVAEFM-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CCOCC[C@@H]1C 307721049 673922679 /nfs/dbraw/zinc/92/26/79/673922679.db2.gz PUJROMWSAVAEFM-MNOVXSKESA-N 1 1 185.311 2.143 10 0 AEAEMO CCCC[C@H](C)[N@@H+](C)C[C@H](O)C1CC1 308693026 673933923 /nfs/dbraw/zinc/93/39/23/673933923.db2.gz RZUZVDNVTOAYPE-JQWIXIFHSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[N@@H+](C)CCCc1cccnc1 39185479 673936711 /nfs/dbraw/zinc/93/67/11/673936711.db2.gz ZGXWRCGMCQHHMS-UHFFFAOYSA-N 1 1 192.306 2.356 10 0 AEAEMO c1c[nH+]c(CC2CCCC2)[nH]1 117472257 1169159713 /nfs/dbraw/zinc/15/97/13/1169159713.db2.gz DCEHYCGGVLFOHG-UHFFFAOYSA-N 1 1 150.225 2.142 10 0 AEAEMO C[N@@H+](CCCF)CC1CCC1 307851289 673942943 /nfs/dbraw/zinc/94/29/43/673942943.db2.gz ANNAZRRXCFUPIG-UHFFFAOYSA-N 1 1 159.248 2.078 10 0 AEAEMO CC(=O)CC[N@H+]1C[C@H](C)C[C@H](C)[C@@H]1C 166781883 673943095 /nfs/dbraw/zinc/94/30/95/673943095.db2.gz HUQUPSWSPWNEIV-SCVCMEIPSA-N 1 1 197.322 2.332 10 0 AEAEMO CCC1(Nc2[nH+]cccc2N)CCC1 123346986 1169164437 /nfs/dbraw/zinc/16/44/37/1169164437.db2.gz WBEIBOWRVKGANJ-UHFFFAOYSA-N 1 1 191.278 2.408 10 0 AEAEMO Nc1[nH+]cccc1Nc1ccsc1 122862275 1169164469 /nfs/dbraw/zinc/16/44/69/1169164469.db2.gz RJSVKIJKZUXQKC-UHFFFAOYSA-N 1 1 191.259 2.469 10 0 AEAEMO CCC[C@H](C)C[N@@H+](CC)[C@H](C)CO 308423637 673945087 /nfs/dbraw/zinc/94/50/87/673945087.db2.gz VCGHEDFILJRQER-WDEREUQCSA-N 1 1 187.327 2.125 10 0 AEAEMO COC[C@@]1(C)CC[N@H+]([C@@H](C)C2CC2)C1 930603905 673945665 /nfs/dbraw/zinc/94/56/65/673945665.db2.gz SONLUOZKKOVHHF-JQWIXIFHSA-N 1 1 197.322 2.143 10 0 AEAEMO COC[C@]1(C)CC[N@H+]([C@@H](C)C2CC2)C1 930603903 673945811 /nfs/dbraw/zinc/94/58/11/673945811.db2.gz SONLUOZKKOVHHF-CMPLNLGQSA-N 1 1 197.322 2.143 10 0 AEAEMO COC[C@@]1(C)CC[N@H+]([C@H](C)C2CC2)C1 930603906 673945974 /nfs/dbraw/zinc/94/59/74/673945974.db2.gz SONLUOZKKOVHHF-PWSUYJOCSA-N 1 1 197.322 2.143 10 0 AEAEMO COC[C@]1(C)CC[N@H+]([C@H](C)C2CC2)C1 930603907 673946095 /nfs/dbraw/zinc/94/60/95/673946095.db2.gz SONLUOZKKOVHHF-ZYHUDNBSSA-N 1 1 197.322 2.143 10 0 AEAEMO CCC(O)(CC)C[N@@H+](C)[C@H](C)C1CC1 162889572 673950014 /nfs/dbraw/zinc/95/00/14/673950014.db2.gz RHRZJVNHWWHFPZ-SNVBAGLBSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC(O)(CC)C[N@@H+](C)[C@@H](C)C1CC1 162889432 673950063 /nfs/dbraw/zinc/95/00/63/673950063.db2.gz RHRZJVNHWWHFPZ-JTQLQIEISA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H]([NH2+]CC(C)C)c1noc(C)n1 127719124 1169174819 /nfs/dbraw/zinc/17/48/19/1169174819.db2.gz DWTHUVCTUUEUES-SECBINFHSA-N 1 1 197.282 2.075 10 0 AEAEMO C=C/C=C\CC[N@@H+](CC)CCOC 877992898 673954769 /nfs/dbraw/zinc/95/47/69/673954769.db2.gz AAVSJKZXVUEMIP-SREVYHEPSA-N 1 1 183.295 2.087 10 0 AEAEMO C=C/C=C/CC[N@@H+](CC)CCOC 877992899 673954934 /nfs/dbraw/zinc/95/49/34/673954934.db2.gz AAVSJKZXVUEMIP-VOTSOKGWSA-N 1 1 183.295 2.087 10 0 AEAEMO CC[C@H]([NH2+]CC(C)C)c1noc(C)n1 127718895 1169175646 /nfs/dbraw/zinc/17/56/46/1169175646.db2.gz DWTHUVCTUUEUES-VIFPVBQESA-N 1 1 197.282 2.075 10 0 AEAEMO CC[C@@H]1CC[N@H+]1C[C@H]1CCC=CO1 306793826 673955771 /nfs/dbraw/zinc/95/57/71/673955771.db2.gz RTTSCLPAWIOZGJ-GHMZBOCLSA-N 1 1 181.279 2.163 10 0 AEAEMO CC[C@@H]1CC[N@H+]1C[C@@H]1CCC=CO1 306793830 673955805 /nfs/dbraw/zinc/95/58/05/673955805.db2.gz RTTSCLPAWIOZGJ-MNOVXSKESA-N 1 1 181.279 2.163 10 0 AEAEMO CC(C)(C)[C@H]1CC[N@@H+](CCF)C1 307689416 673956650 /nfs/dbraw/zinc/95/66/50/673956650.db2.gz GNRVBJHFQTYMEN-VIFPVBQESA-N 1 1 173.275 2.324 10 0 AEAEMO CC(C)(C)[C@@H]1CC[N@@H+](CCF)C1 307689415 673956689 /nfs/dbraw/zinc/95/66/89/673956689.db2.gz GNRVBJHFQTYMEN-SECBINFHSA-N 1 1 173.275 2.324 10 0 AEAEMO C[C@H]1CC[C@H](CO)C[N@H+]1CC(C)(C)C 128452538 1169177467 /nfs/dbraw/zinc/17/74/67/1169177467.db2.gz XBAQJXFRQJNVJI-QWRGUYRKSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC(CC)C[N@H+]1C[C@H](N)CC[C@@H]1C 128273489 1169177621 /nfs/dbraw/zinc/17/76/21/1169177621.db2.gz FJMRXPNMKFUOLA-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)CN1C[C@H]([NH3+])CC[C@@H]1C 128273489 1169177624 /nfs/dbraw/zinc/17/76/24/1169177624.db2.gz FJMRXPNMKFUOLA-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]1CC[C@@H]([N@H+]2CCC(=O)[C@H](C)C2)C1 129240560 1169177741 /nfs/dbraw/zinc/17/77/41/1169177741.db2.gz OBHXUQAQIKJJIO-GMTAPVOTSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@@H]1CC[C@H]([N@H+]2CCC(=O)[C@H](C)C2)C1 129240157 1169178003 /nfs/dbraw/zinc/17/80/03/1169178003.db2.gz OBHXUQAQIKJJIO-MXWKQRLJSA-N 1 1 195.306 2.086 10 0 AEAEMO CCC(CC)C[N@H+]1C[C@@H](N)CC[C@@H]1C 128273722 1169178073 /nfs/dbraw/zinc/17/80/73/1169178073.db2.gz FJMRXPNMKFUOLA-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)CN1C[C@@H]([NH3+])CC[C@@H]1C 128273722 1169178076 /nfs/dbraw/zinc/17/80/76/1169178076.db2.gz FJMRXPNMKFUOLA-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CC[N@H+]1CC[C@@H](C(C)(C)O)C1 721837896 673957515 /nfs/dbraw/zinc/95/75/15/673957515.db2.gz MOBMXTNECOLPBD-LLVKDONJSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)CC[N@H+]1CC[C@H](C(C)(C)O)C1 721837897 673957580 /nfs/dbraw/zinc/95/75/80/673957580.db2.gz MOBMXTNECOLPBD-NSHDSACASA-N 1 1 199.338 2.125 10 0 AEAEMO CCC(CC)C[N@H+]1CCNC[C@@H]1CC 128768472 1169178401 /nfs/dbraw/zinc/17/84/01/1169178401.db2.gz KKZIXOZUROULFU-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC(CC)C[N@H+]1CCNC[C@H]1CC 128768247 1169178445 /nfs/dbraw/zinc/17/84/45/1169178445.db2.gz KKZIXOZUROULFU-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO C[C@H]1CC(=O)CC[N@@H+]1[C@@H]1CC[C@@H](C)C1 129251345 1169178581 /nfs/dbraw/zinc/17/85/81/1169178581.db2.gz CRVVEIOZZIXWTK-OUAUKWLOSA-N 1 1 195.306 2.228 10 0 AEAEMO CCC[C@@H](C)CC[NH2+]Cc1c[nH]cn1 895532408 673958095 /nfs/dbraw/zinc/95/80/95/673958095.db2.gz OPNZHLMTSRGWSV-SNVBAGLBSA-N 1 1 195.310 2.326 10 0 AEAEMO CCC[C@H](C)CC[NH2+]Cc1c[nH]cn1 895532399 673958109 /nfs/dbraw/zinc/95/81/09/673958109.db2.gz OPNZHLMTSRGWSV-JTQLQIEISA-N 1 1 195.310 2.326 10 0 AEAEMO C[C@@H]1CC[C@@H](CO)C[N@H+]1CC(C)(C)C 128452754 1169179112 /nfs/dbraw/zinc/17/91/12/1169179112.db2.gz XBAQJXFRQJNVJI-GHMZBOCLSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H]1CC(=O)CC[N@@H+]1[C@H]1CC[C@@H](C)C1 129250938 1169179196 /nfs/dbraw/zinc/17/91/96/1169179196.db2.gz CRVVEIOZZIXWTK-VWYCJHECSA-N 1 1 195.306 2.228 10 0 AEAEMO C[C@H]1CC[C@@H](CO)C[N@H+]1CC(C)(C)C 128452999 1169179720 /nfs/dbraw/zinc/17/97/20/1169179720.db2.gz XBAQJXFRQJNVJI-WDEREUQCSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC1(N)C[NH+](C2CCCCCC2)C1 128557002 1169179953 /nfs/dbraw/zinc/17/99/53/1169179953.db2.gz AZPFTHCURHABAS-UHFFFAOYSA-N 1 1 196.338 2.132 10 0 AEAEMO C[C@@H]1CC[C@H](CO)C[N@H+]1CC(C)(C)C 128452311 1169180226 /nfs/dbraw/zinc/18/02/26/1169180226.db2.gz XBAQJXFRQJNVJI-MNOVXSKESA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@@H]1CC(=O)CC[N@H+]1CCC(C)(C)C 130073031 1169181877 /nfs/dbraw/zinc/18/18/77/1169181877.db2.gz XBCAQWFPESHOGH-SNVBAGLBSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(CC)C[N@H+]1CCN[C@H](C)CC1 130517834 1169182063 /nfs/dbraw/zinc/18/20/63/1169182063.db2.gz IFXWHWBQXDTICI-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC(CC)CN1CC[NH2+][C@H](C)CC1 130517834 1169182071 /nfs/dbraw/zinc/18/20/71/1169182071.db2.gz IFXWHWBQXDTICI-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO C[C@H]1CC(=O)CC[N@H+]1CCC(C)(C)C 130073235 1169183217 /nfs/dbraw/zinc/18/32/17/1169183217.db2.gz XBCAQWFPESHOGH-JTQLQIEISA-N 1 1 197.322 2.476 10 0 AEAEMO N[C@H]1CCC[C@H]1[NH2+]C1CCCCCC1 129794244 1169183895 /nfs/dbraw/zinc/18/38/95/1169183895.db2.gz OJLVSLZJRKXLJY-NWDGAFQWSA-N 1 1 196.338 2.179 10 0 AEAEMO COC(C)(C)CNc1ccc(C)c[nH+]1 133037100 1169185301 /nfs/dbraw/zinc/18/53/01/1169185301.db2.gz RPTBCSHIGOFTFS-UHFFFAOYSA-N 1 1 194.278 2.227 10 0 AEAEMO CCC[C@H](C)C[N@@H+]1CCCC(=O)C1 134134484 1169187963 /nfs/dbraw/zinc/18/79/63/1169187963.db2.gz SUYDJONGALECOC-JTQLQIEISA-N 1 1 183.295 2.088 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCCC(=O)C1 134134484 1169187966 /nfs/dbraw/zinc/18/79/66/1169187966.db2.gz SUYDJONGALECOC-JTQLQIEISA-N 1 1 183.295 2.088 10 0 AEAEMO CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@@H](O)C1CC1 224248752 673966598 /nfs/dbraw/zinc/96/65/98/673966598.db2.gz VFTALHCRHZZXFC-YUSALJHKSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@H]1CCC[C@@H](C)[N@@H+]1[C@H]1CCCNC1 134185792 1169188196 /nfs/dbraw/zinc/18/81/96/1169188196.db2.gz ZNNVSLRSXBBOSV-TUAOUCFPSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@H]1CCC[C@@H](C)[N@H+]1[C@H]1CCCNC1 134185792 1169188200 /nfs/dbraw/zinc/18/82/00/1169188200.db2.gz ZNNVSLRSXBBOSV-TUAOUCFPSA-N 1 1 196.338 2.001 10 0 AEAEMO CCCCCCc1nnc([C@@H](C)[NH3+])o1 133842044 1169188313 /nfs/dbraw/zinc/18/83/13/1169188313.db2.gz YWGQTOFUCSSVTL-MRVPVSSYSA-N 1 1 197.282 2.212 10 0 AEAEMO CCC[C@@H](C)C[N@@H+]1CCCC(=O)C1 134134282 1169188597 /nfs/dbraw/zinc/18/85/97/1169188597.db2.gz SUYDJONGALECOC-SNVBAGLBSA-N 1 1 183.295 2.088 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCCC(=O)C1 134134282 1169188603 /nfs/dbraw/zinc/18/86/03/1169188603.db2.gz SUYDJONGALECOC-SNVBAGLBSA-N 1 1 183.295 2.088 10 0 AEAEMO COCC(C)(C)Nc1ccc(C)c[nH+]1 135148089 1169190422 /nfs/dbraw/zinc/19/04/22/1169190422.db2.gz TVMLTXUHKVTWGO-UHFFFAOYSA-N 1 1 194.278 2.227 10 0 AEAEMO COCC(C)(C)Nc1[nH+]cccc1C 135148134 1169190532 /nfs/dbraw/zinc/19/05/32/1169190532.db2.gz PRXZEOQFJWFMME-UHFFFAOYSA-N 1 1 194.278 2.227 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1C[C@@H](O)C1CC1 226739028 673969411 /nfs/dbraw/zinc/96/94/11/673969411.db2.gz AHAXBAYIZSFIRL-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1C[C@@H](O)C1CC1 226739038 673969503 /nfs/dbraw/zinc/96/95/03/673969503.db2.gz AHAXBAYIZSFIRL-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO COCC(C)(C)Nc1cc(C)cc[nH+]1 135147930 1169191939 /nfs/dbraw/zinc/19/19/39/1169191939.db2.gz HFKWMOCTRGVFNY-UHFFFAOYSA-N 1 1 194.278 2.227 10 0 AEAEMO CCC1(CC)CCC[N@H+]1CC(C)=O 721300570 673977142 /nfs/dbraw/zinc/97/71/42/673977142.db2.gz MEEQXKXRGWOTNV-UHFFFAOYSA-N 1 1 183.295 2.230 10 0 AEAEMO C[C@@H](CF)[NH2+][C@@H]1CCc2cccnc21 702553896 673979914 /nfs/dbraw/zinc/97/99/14/673979914.db2.gz DYYSLORCNFWBLI-WCBMZHEXSA-N 1 1 194.253 2.017 10 0 AEAEMO C[C@@H](CF)[NH2+][C@H]1CCc2cccnc21 702553898 673980343 /nfs/dbraw/zinc/98/03/43/673980343.db2.gz DYYSLORCNFWBLI-WPRPVWTQSA-N 1 1 194.253 2.017 10 0 AEAEMO C[C@H](C[N@H+]1C[C@H](N)C[C@H]1C)C(C)(C)C 702644321 673980642 /nfs/dbraw/zinc/98/06/42/673980642.db2.gz IOCNAXQFOZEYEU-GMTAPVOTSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H](C[N@H+]1C[C@@H](N)C[C@H]1C)C(C)(C)C 702644341 673980899 /nfs/dbraw/zinc/98/08/99/673980899.db2.gz IOCNAXQFOZEYEU-MXWKQRLJSA-N 1 1 198.354 2.090 10 0 AEAEMO Nc1[nH+]cccc1Nc1ccccc1 139677652 1169201557 /nfs/dbraw/zinc/20/15/57/1169201557.db2.gz OZNGVLQCUAHHOJ-UHFFFAOYSA-N 1 1 185.230 2.407 10 0 AEAEMO C[C@@H]1C[C@H](N)C[N@@H+]1C[C@H](C)C(C)(C)C 702644310 673981032 /nfs/dbraw/zinc/98/10/32/673981032.db2.gz IOCNAXQFOZEYEU-AXFHLTTASA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@@H]1C[C@@H](N)C[N@@H+]1C[C@H](C)C(C)(C)C 702644337 673981161 /nfs/dbraw/zinc/98/11/61/673981161.db2.gz IOCNAXQFOZEYEU-HBNTYKKESA-N 1 1 198.354 2.090 10 0 AEAEMO CC(=O)CC[N@H+]1CCCC2(CC1)CC2 702603820 673981301 /nfs/dbraw/zinc/98/13/01/673981301.db2.gz WPMABGPBOJCVII-UHFFFAOYSA-N 1 1 195.306 2.232 10 0 AEAEMO CCC[N@H+]1CCc2nc(C)sc2C1 142167622 1169206112 /nfs/dbraw/zinc/20/61/12/1169206112.db2.gz WXMZHULUEIMJIM-UHFFFAOYSA-N 1 1 196.319 2.220 10 0 AEAEMO CCCCCC[N@H+]1CC[C@@H](O)C[C@H]1C 705284697 673987000 /nfs/dbraw/zinc/98/70/00/673987000.db2.gz FBIMUTZLPBTLPE-VXGBXAGGSA-N 1 1 199.338 2.412 10 0 AEAEMO CC[N@@H+](C[C@@H](O)C1CC1)[C@H](C)C(C)C 706664078 673987538 /nfs/dbraw/zinc/98/75/38/673987538.db2.gz GVKLZWIGUCYTTM-ZYHUDNBSSA-N 1 1 199.338 2.124 10 0 AEAEMO CC[N@@H+](C[C@@H](O)C1CC1)[C@@H](C)C(C)C 706664072 673987543 /nfs/dbraw/zinc/98/75/43/673987543.db2.gz GVKLZWIGUCYTTM-CMPLNLGQSA-N 1 1 199.338 2.124 10 0 AEAEMO C[C@H]1CC[N@H+]1C[C@@H](O)CC1CCCC1 706762704 673987912 /nfs/dbraw/zinc/98/79/12/673987912.db2.gz OVSYJRVPYNSVFI-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO CSC1CC([NH2+][C@H](C)C(F)F)C1 706796665 673987918 /nfs/dbraw/zinc/98/79/18/673987918.db2.gz SKAYDWQEABBCLJ-GRQBKTHUSA-N 1 1 195.278 2.124 10 0 AEAEMO C[C@H]1C[N@@H+](CC2(O)CCCCC2)[C@H]1C 706768706 673988053 /nfs/dbraw/zinc/98/80/53/673988053.db2.gz XUISEYZPBSYYBD-QWRGUYRKSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1CC[N@H+]1C[C@H](O)CC1CCCC1 706762715 673988114 /nfs/dbraw/zinc/98/81/14/673988114.db2.gz OVSYJRVPYNSVFI-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1C[N@@H+](CC2(O)CCCCC2)[C@@H]1C 706768707 673988147 /nfs/dbraw/zinc/98/81/47/673988147.db2.gz XUISEYZPBSYYBD-WDEREUQCSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[N@@H+](C[C@H](O)C1CC1)[C@H](C)C(C)C 706664077 673988176 /nfs/dbraw/zinc/98/81/76/673988176.db2.gz GVKLZWIGUCYTTM-PWSUYJOCSA-N 1 1 199.338 2.124 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1CC1(O)CCCCC1 706768704 673988430 /nfs/dbraw/zinc/98/84/30/673988430.db2.gz XUISEYZPBSYYBD-MNOVXSKESA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1C[N@@H+](CC2(O)CCCCC2)[C@@H]1C 706768702 673988440 /nfs/dbraw/zinc/98/84/40/673988440.db2.gz XUISEYZPBSYYBD-GHMZBOCLSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[N@@H+](C[C@H](O)C1CC1)[C@@H](C)C(C)C 706664075 673988508 /nfs/dbraw/zinc/98/85/08/673988508.db2.gz GVKLZWIGUCYTTM-JQWIXIFHSA-N 1 1 199.338 2.124 10 0 AEAEMO CSC1CC([NH2+][C@@H](C)C(F)F)C1 706796666 673988538 /nfs/dbraw/zinc/98/85/38/673988538.db2.gz SKAYDWQEABBCLJ-VTSJMVTISA-N 1 1 195.278 2.124 10 0 AEAEMO C[C@@H]1CC[N@H+]1C[C@@H](O)CC1CCCC1 706762712 673988639 /nfs/dbraw/zinc/98/86/39/673988639.db2.gz OVSYJRVPYNSVFI-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(=O)CC[N@H+](C)[C@@H](C)c1ccco1 707168870 673989802 /nfs/dbraw/zinc/98/98/02/673989802.db2.gz UCSTYIFJVRRSKQ-JTQLQIEISA-N 1 1 195.262 2.252 10 0 AEAEMO CC(=O)CC[N@H+](C)[C@H](C)c1ccco1 707168872 673989965 /nfs/dbraw/zinc/98/99/65/673989965.db2.gz UCSTYIFJVRRSKQ-SNVBAGLBSA-N 1 1 195.262 2.252 10 0 AEAEMO CCC[C@H]1CCC[N@@H+](CCC(C)=O)C1 708421771 673990248 /nfs/dbraw/zinc/99/02/48/673990248.db2.gz UHALBMOUEPGVLE-LBPRGKRZSA-N 1 1 197.322 2.478 10 0 AEAEMO CCC[C@@H]1CCC[N@@H+](CCC(C)=O)C1 708421769 673990953 /nfs/dbraw/zinc/99/09/53/673990953.db2.gz UHALBMOUEPGVLE-GFCCVEGCSA-N 1 1 197.322 2.478 10 0 AEAEMO CCCCCC[N@H+]1C[C@@H](C)[C@H](CO)C1 708686243 673991529 /nfs/dbraw/zinc/99/15/29/673991529.db2.gz HHZGZTRXHLGIRF-NEPJUHHUSA-N 1 1 199.338 2.127 10 0 AEAEMO C[C@@H](C[N@H+]1CC[C@H](O)C1)CC(C)(C)C 709148500 673992692 /nfs/dbraw/zinc/99/26/92/673992692.db2.gz FRDFCSIKZITXKH-MNOVXSKESA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H](C[N@H+]1CC[C@H](O)C1)CC(C)(C)C 709148502 673992703 /nfs/dbraw/zinc/99/27/03/673992703.db2.gz FRDFCSIKZITXKH-QWRGUYRKSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@@H](C[N@@H+]1CC[C@H]([NH3+])C1)CC(C)(C)C 709102067 673992770 /nfs/dbraw/zinc/99/27/70/673992770.db2.gz DILXKNBISKHOBM-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H](CN1CC[C@H]([NH3+])C1)CC(C)(C)C 709102067 673992777 /nfs/dbraw/zinc/99/27/77/673992777.db2.gz DILXKNBISKHOBM-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H](C[N@@H+]1CC[C@@H]([NH3+])C1)CC(C)(C)C 709102066 673992861 /nfs/dbraw/zinc/99/28/61/673992861.db2.gz DILXKNBISKHOBM-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H](CN1CC[C@@H]([NH3+])C1)CC(C)(C)C 709102066 673992864 /nfs/dbraw/zinc/99/28/64/673992864.db2.gz DILXKNBISKHOBM-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H](C[N@@H+]1CC[C@H]([NH3+])C1)CC(C)(C)C 709102068 673992993 /nfs/dbraw/zinc/99/29/93/673992993.db2.gz DILXKNBISKHOBM-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H](CN1CC[C@H]([NH3+])C1)CC(C)(C)C 709102068 673992997 /nfs/dbraw/zinc/99/29/97/673992997.db2.gz DILXKNBISKHOBM-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H](C[N@@H+]1CC[C@@H]([NH3+])C1)CC(C)(C)C 709102069 673993483 /nfs/dbraw/zinc/99/34/83/673993483.db2.gz DILXKNBISKHOBM-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H](CN1CC[C@@H]([NH3+])C1)CC(C)(C)C 709102069 673993485 /nfs/dbraw/zinc/99/34/85/673993485.db2.gz DILXKNBISKHOBM-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO C#CC[N@H+](C)CCCCC(C)C 143662267 1169215546 /nfs/dbraw/zinc/21/55/46/1169215546.db2.gz DJBBMVVDOABUNV-UHFFFAOYSA-N 1 1 167.296 2.378 10 0 AEAEMO CC(=O)CC[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 723829774 674005633 /nfs/dbraw/zinc/00/56/33/674005633.db2.gz VFBVEIOFVJSYDQ-GHMZBOCLSA-N 1 1 197.322 2.334 10 0 AEAEMO CNc1cc(C(C)C)cc[nH+]1 145594790 1169224820 /nfs/dbraw/zinc/22/48/20/1169224820.db2.gz DQGVHIPJLFJRSA-UHFFFAOYSA-N 1 1 150.225 2.247 10 0 AEAEMO CC[C@H](C)[N@@H+](C)C(C)C 145369117 1169226283 /nfs/dbraw/zinc/22/62/83/1169226283.db2.gz VZVDQQRBKVOHDV-QMMMGPOBSA-N 1 1 129.247 2.125 10 0 AEAEMO C1CCC2(C1)CC[N@H+]([C@H]1CCOC1)C2 770510442 674008782 /nfs/dbraw/zinc/00/87/82/674008782.db2.gz LRNKTFRBAWAODB-NSHDSACASA-N 1 1 195.306 2.041 10 0 AEAEMO C1CCC2(C1)CC[N@H+]([C@@H]1CCOC1)C2 770510438 674008845 /nfs/dbraw/zinc/00/88/45/674008845.db2.gz LRNKTFRBAWAODB-LLVKDONJSA-N 1 1 195.306 2.041 10 0 AEAEMO CCO[C@H]1CCC[N@H+]([C@H](C)C2CC2)C1 777401277 674009014 /nfs/dbraw/zinc/00/90/14/674009014.db2.gz MYADUUDKHSMZJO-PWSUYJOCSA-N 1 1 197.322 2.286 10 0 AEAEMO CCO[C@@H]1CCC[N@H+]([C@@H](C)C2CC2)C1 777401261 674009035 /nfs/dbraw/zinc/00/90/35/674009035.db2.gz MYADUUDKHSMZJO-CMPLNLGQSA-N 1 1 197.322 2.286 10 0 AEAEMO CCO[C@H]1CCC[N@H+]([C@@H](C)C2CC2)C1 777401276 674009047 /nfs/dbraw/zinc/00/90/47/674009047.db2.gz MYADUUDKHSMZJO-JQWIXIFHSA-N 1 1 197.322 2.286 10 0 AEAEMO CCO[C@@H]1CCC[N@H+]([C@H](C)C2CC2)C1 777401278 674009091 /nfs/dbraw/zinc/00/90/91/674009091.db2.gz MYADUUDKHSMZJO-ZYHUDNBSSA-N 1 1 197.322 2.286 10 0 AEAEMO CCCC[N@@H+]1CCNCCC12CCC2 713151854 674013132 /nfs/dbraw/zinc/01/31/32/674013132.db2.gz STTWOSXODKOSJH-UHFFFAOYSA-N 1 1 196.338 2.005 10 0 AEAEMO CCCC[N@H+]1CCNCCC12CCC2 713151854 674013134 /nfs/dbraw/zinc/01/31/34/674013134.db2.gz STTWOSXODKOSJH-UHFFFAOYSA-N 1 1 196.338 2.005 10 0 AEAEMO CC[N@@H+](C)CCc1ccc(OC)cc1 146322747 1169232247 /nfs/dbraw/zinc/23/22/47/1169232247.db2.gz IAQOJPCUJMCGBO-UHFFFAOYSA-N 1 1 193.290 2.189 10 0 AEAEMO CC1=CCC[N@H+](C(C)C)C1 146951903 1169232564 /nfs/dbraw/zinc/23/25/64/1169232564.db2.gz GFXUTGXKQDKJLK-UHFFFAOYSA-N 1 1 139.242 2.047 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1C[C@@H](O)CC[C@H]1C 713704845 674015345 /nfs/dbraw/zinc/01/53/45/674015345.db2.gz HJWBYQUJIBPGCK-UTUOFQBUSA-N 1 1 199.338 2.268 10 0 AEAEMO CCc1[nH+]ccn1COCC(C)C 714520823 674017329 /nfs/dbraw/zinc/01/73/29/674017329.db2.gz DNSBNBQLXBTRDX-UHFFFAOYSA-N 1 1 182.267 2.076 10 0 AEAEMO CC(C)COCn1cc[nH+]c1C1CC1 714525933 674017839 /nfs/dbraw/zinc/01/78/39/674017839.db2.gz BPMFYKYUPNMHAQ-UHFFFAOYSA-N 1 1 194.278 2.391 10 0 AEAEMO CC[N@H+]1CC[C@H](C)C[C@@H]1C 147301820 1169236286 /nfs/dbraw/zinc/23/62/86/1169236286.db2.gz RINZXDMNRMRWPP-IUCAKERBSA-N 1 1 141.258 2.127 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1C1CCOCC1 147620670 1169236347 /nfs/dbraw/zinc/23/63/47/1169236347.db2.gz DLOVJPMWYPFOHG-SNVBAGLBSA-N 1 1 183.295 2.040 10 0 AEAEMO CC[C@H]1CCC[N@H+]1C1CCOCC1 147620918 1169237648 /nfs/dbraw/zinc/23/76/48/1169237648.db2.gz DLOVJPMWYPFOHG-JTQLQIEISA-N 1 1 183.295 2.040 10 0 AEAEMO CCc1[nH+]c(C)cn1CCCF 715071740 674019610 /nfs/dbraw/zinc/01/96/10/674019610.db2.gz HVYMOKJWSSUTTG-UHFFFAOYSA-N 1 1 170.231 2.114 10 0 AEAEMO CCc1[nH+]c(C)cn1CCSC 715072784 674020223 /nfs/dbraw/zinc/02/02/23/674020223.db2.gz ZDSXAEDKBXXWCF-UHFFFAOYSA-N 1 1 184.308 2.117 10 0 AEAEMO FC(F)C[NH2+]CCCC(F)(F)F 147715785 1169239504 /nfs/dbraw/zinc/23/95/04/1169239504.db2.gz JZGLKVRQQVVSON-UHFFFAOYSA-N 1 1 191.143 2.184 10 0 AEAEMO C[C@H]1CC[N@@H+](CC(C)(C)C)C1 147861578 1169241076 /nfs/dbraw/zinc/24/10/76/1169241076.db2.gz ZGVZOJOFWKTGFI-VIFPVBQESA-N 1 1 155.285 2.374 10 0 AEAEMO C[C@@H]1CC[N@@H+](CC(C)(C)C)C1 147861382 1169241314 /nfs/dbraw/zinc/24/13/14/1169241314.db2.gz ZGVZOJOFWKTGFI-SECBINFHSA-N 1 1 155.285 2.374 10 0 AEAEMO c1nc(C[NH2+]CCCCC2CC2)c[nH]1 716311787 674024171 /nfs/dbraw/zinc/02/41/71/674024171.db2.gz CSSBENNJCYLFEH-UHFFFAOYSA-N 1 1 193.294 2.080 10 0 AEAEMO c1cc(C[NH2+]CCCCC2CC2)[nH]n1 716397791 674024656 /nfs/dbraw/zinc/02/46/56/674024656.db2.gz JSHLGQUJFMRQJU-UHFFFAOYSA-N 1 1 193.294 2.080 10 0 AEAEMO CC/C=C/CC[N@H+]1CC[C@@H](O)C1(C)C 812867384 674028259 /nfs/dbraw/zinc/02/82/59/674028259.db2.gz LNMONSBMCODGSL-MVIFTORASA-N 1 1 197.322 2.188 10 0 AEAEMO CC/C=C/CC[N@H+]1CC[C@H](O)C1(C)C 812867386 674028286 /nfs/dbraw/zinc/02/82/86/674028286.db2.gz LNMONSBMCODGSL-QRGHLMKCSA-N 1 1 197.322 2.188 10 0 AEAEMO CC/C=C\CC[N@H+]1CC[C@H](O)C1(C)C 812867381 674028288 /nfs/dbraw/zinc/02/82/88/674028288.db2.gz LNMONSBMCODGSL-GZTOBOFZSA-N 1 1 197.322 2.188 10 0 AEAEMO CC/C=C\CC[N@H+]1CC[C@@H](O)C1(C)C 812867383 674028292 /nfs/dbraw/zinc/02/82/92/674028292.db2.gz LNMONSBMCODGSL-ISALQUGTSA-N 1 1 197.322 2.188 10 0 AEAEMO CC[N@@H+](C)CCC(=O)c1cccs1 149136014 1169246606 /nfs/dbraw/zinc/24/66/06/1169246606.db2.gz UWDYSYMUGNJDJM-UHFFFAOYSA-N 1 1 197.303 2.273 10 0 AEAEMO C=CC[N@H+](C)C1CCCC1 149048485 1169247860 /nfs/dbraw/zinc/24/78/60/1169247860.db2.gz UIUPCSFNFYWOOC-UHFFFAOYSA-N 1 1 139.242 2.047 10 0 AEAEMO C[C@@H]1C[C@H]1C[N@H+]1CCC[C@](C)(F)C1 824472124 674030436 /nfs/dbraw/zinc/03/04/36/674030436.db2.gz LVSHSRJWMUTNQT-VWYCJHECSA-N 1 1 185.286 2.466 10 0 AEAEMO CC(C)C[N@H+]1CCC[C@@](C)(F)C1 824471901 674030445 /nfs/dbraw/zinc/03/04/45/674030445.db2.gz IILGXDWVMFNDEC-SNVBAGLBSA-N 1 1 173.275 2.466 10 0 AEAEMO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@](C)(F)C1 824472120 674030560 /nfs/dbraw/zinc/03/05/60/674030560.db2.gz LVSHSRJWMUTNQT-GMTAPVOTSA-N 1 1 185.286 2.466 10 0 AEAEMO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@](C)(F)C1 824472121 674030819 /nfs/dbraw/zinc/03/08/19/674030819.db2.gz LVSHSRJWMUTNQT-MXWKQRLJSA-N 1 1 185.286 2.466 10 0 AEAEMO CC(C)C[N@H+]1CCC[C@](C)(F)C1 824471890 674030854 /nfs/dbraw/zinc/03/08/54/674030854.db2.gz IILGXDWVMFNDEC-JTQLQIEISA-N 1 1 173.275 2.466 10 0 AEAEMO C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@](C)(F)C1 824472122 674030863 /nfs/dbraw/zinc/03/08/63/674030863.db2.gz LVSHSRJWMUTNQT-OUAUKWLOSA-N 1 1 185.286 2.466 10 0 AEAEMO C[C@@]1(F)CCC[N@H+](CC2(F)CC2)C1 824472520 674030867 /nfs/dbraw/zinc/03/08/67/674030867.db2.gz UVDLRFODSRDCMJ-SECBINFHSA-N 1 1 189.249 2.313 10 0 AEAEMO C[C@@]1(F)CCC[N@@H+](CC2(F)CC2)C1 824472520 674030868 /nfs/dbraw/zinc/03/08/68/674030868.db2.gz UVDLRFODSRDCMJ-SECBINFHSA-N 1 1 189.249 2.313 10 0 AEAEMO C[C@]1(F)CCC[N@H+](CC2(F)CC2)C1 824472524 674030885 /nfs/dbraw/zinc/03/08/85/674030885.db2.gz UVDLRFODSRDCMJ-VIFPVBQESA-N 1 1 189.249 2.313 10 0 AEAEMO C[C@]1(F)CCC[N@@H+](CC2(F)CC2)C1 824472524 674030887 /nfs/dbraw/zinc/03/08/87/674030887.db2.gz UVDLRFODSRDCMJ-VIFPVBQESA-N 1 1 189.249 2.313 10 0 AEAEMO CC(C)(C)C[N@H+]1CCC[C@@H](C#N)C1 149921121 1169250112 /nfs/dbraw/zinc/25/01/12/1169250112.db2.gz PVUYYYITXOMLJG-JTQLQIEISA-N 1 1 180.295 2.268 10 0 AEAEMO CC(C)(C)C[N@H+]1CCC[C@H](C#N)C1 149920903 1169250416 /nfs/dbraw/zinc/25/04/16/1169250416.db2.gz PVUYYYITXOMLJG-SNVBAGLBSA-N 1 1 180.295 2.268 10 0 AEAEMO CO[C@@H]1CCC[N@@H+](CC(C)(C)C)C1 149941935 1169251214 /nfs/dbraw/zinc/25/12/14/1169251214.db2.gz UQVKKRWDBCKTOL-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO C[C@H]1C[N@@H+](CC(C)(C)C)C[C@@H](C)O1 149928917 1169251695 /nfs/dbraw/zinc/25/16/95/1169251695.db2.gz OZTSFMKPRMTWFB-AOOOYVTPSA-N 1 1 185.311 2.142 10 0 AEAEMO CO[C@H]1CCC[N@@H+](CC(C)(C)C)C1 149941710 1169253733 /nfs/dbraw/zinc/25/37/33/1169253733.db2.gz UQVKKRWDBCKTOL-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[C@H]1CCC[N@H+]1CCF 150136493 1169255541 /nfs/dbraw/zinc/25/55/41/1169255541.db2.gz JHXGCCVHNHGPFV-VIFPVBQESA-N 1 1 159.248 2.220 10 0 AEAEMO CCCC(CCC)[N@@H+]1CC[C@@H](NC)C1 150029468 1169255560 /nfs/dbraw/zinc/25/55/60/1169255560.db2.gz WOWYUYOWKATLQD-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC(CCC)[N@H+]1CC[C@@H](NC)C1 150029468 1169255566 /nfs/dbraw/zinc/25/55/66/1169255566.db2.gz WOWYUYOWKATLQD-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)Cc1ccnc(F)c1 859184662 674040140 /nfs/dbraw/zinc/04/01/40/674040140.db2.gz FBISIHFXMUYVQD-SECBINFHSA-N 1 1 196.269 2.451 10 0 AEAEMO CCC(CC)[N@H+]1CCC[C@](C)(O)C1 157511181 1169258899 /nfs/dbraw/zinc/25/88/99/1169258899.db2.gz DFLIQZXNAMFMHY-NSHDSACASA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@H](C)[N@@H+](C)Cc1ccnc(F)c1 859184664 674040361 /nfs/dbraw/zinc/04/03/61/674040361.db2.gz FBISIHFXMUYVQD-VIFPVBQESA-N 1 1 196.269 2.451 10 0 AEAEMO CCC(CC)[N@H+]1CCC[C@@](C)(O)C1 157511034 1169259588 /nfs/dbraw/zinc/25/95/88/1169259588.db2.gz DFLIQZXNAMFMHY-LLVKDONJSA-N 1 1 185.311 2.022 10 0 AEAEMO C[C@@H]1C[N@H+](C2CCCCC2)CC[C@@H]1O 159465655 1169259869 /nfs/dbraw/zinc/25/98/69/1169259869.db2.gz OMUVFDUWEDUNPT-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1C[N@H+](C2CCCCC2)CC[C@@H]1O 159465804 1169260399 /nfs/dbraw/zinc/26/03/99/1169260399.db2.gz OMUVFDUWEDUNPT-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)C[C@@H]([NH3+])c1nc(C(C)C)no1 21797572 674042413 /nfs/dbraw/zinc/04/24/13/674042413.db2.gz SIHJCKIXZFESMM-MRVPVSSYSA-N 1 1 197.282 2.239 10 0 AEAEMO C=C/C=C\CC[N@H+](CC)C[C@H](C)OC 878637549 674043522 /nfs/dbraw/zinc/04/35/22/674043522.db2.gz HCBOSQWHGTVDBY-KRZKBDHCSA-N 1 1 197.322 2.476 10 0 AEAEMO C=C/C=C\CC[N@H+](C)[C@H]1C[C@@H](OC)C1 878600882 674043551 /nfs/dbraw/zinc/04/35/51/674043551.db2.gz DYPNDYRLNRGNGB-DLXAAPBESA-N 1 1 195.306 2.228 10 0 AEAEMO C=C/C=C/CC[N@H+](C)C[C@H](C)OC 878612948 674043648 /nfs/dbraw/zinc/04/36/48/674043648.db2.gz CNOLDYRVVZNYEJ-MLRMMBSGSA-N 1 1 183.295 2.085 10 0 AEAEMO C=C/C=C\CC[N@H+](CC)C[C@@H](C)OC 878637550 674043775 /nfs/dbraw/zinc/04/37/75/674043775.db2.gz HCBOSQWHGTVDBY-QDZRJHCZSA-N 1 1 197.322 2.476 10 0 AEAEMO C=C/C=C\CC[N@H+](C)C[C@H](C)OC 878612950 674043852 /nfs/dbraw/zinc/04/38/52/674043852.db2.gz CNOLDYRVVZNYEJ-ZADCQDASSA-N 1 1 183.295 2.085 10 0 AEAEMO C=C/C=C\CC[N@H+](C)C[C@@H](C)OC 878612947 674043906 /nfs/dbraw/zinc/04/39/06/674043906.db2.gz CNOLDYRVVZNYEJ-JMEBYUIHSA-N 1 1 183.295 2.085 10 0 AEAEMO C=C/C=C/CC[N@H+](C)C[C@@H](C)OC 878612949 674043988 /nfs/dbraw/zinc/04/39/88/674043988.db2.gz CNOLDYRVVZNYEJ-XUIVZRPNSA-N 1 1 183.295 2.085 10 0 AEAEMO C=C/C=C/CC[N@H+](C)[C@H]1C[C@@H](OC)C1 878600883 674044046 /nfs/dbraw/zinc/04/40/46/674044046.db2.gz DYPNDYRLNRGNGB-MTJJXUSZSA-N 1 1 195.306 2.228 10 0 AEAEMO COC[C@H](C[N@H+]1C[C@@H](C)[C@H]1C)C(C)C 930580885 674053192 /nfs/dbraw/zinc/05/31/92/674053192.db2.gz AJICLFZGWMDGFZ-UTUOFQBUSA-N 1 1 199.338 2.245 10 0 AEAEMO CC1CC(C[N@H+]2C[C@@H](C)[C@@H]2C)C1 930581189 674053306 /nfs/dbraw/zinc/05/33/06/674053306.db2.gz CCGYKIXYJMOCHK-WIFZPCQCSA-N 1 1 167.296 2.373 10 0 AEAEMO CC1CC(C[N@H+]2C[C@@H](C)[C@H]2C)C1 930581190 674053336 /nfs/dbraw/zinc/05/33/36/674053336.db2.gz CCGYKIXYJMOCHK-WYNUPADASA-N 1 1 167.296 2.373 10 0 AEAEMO COC[C@H](C[N@H+]1C[C@H](C)[C@@H]1C)C(C)C 930580883 674053498 /nfs/dbraw/zinc/05/34/98/674053498.db2.gz AJICLFZGWMDGFZ-SRVKXCTJSA-N 1 1 199.338 2.245 10 0 AEAEMO CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H](C)[C@H]1C 930583388 674053461 /nfs/dbraw/zinc/05/34/61/674053461.db2.gz XQVKMEPTGLOCDQ-DBIOUOCHSA-N 1 1 167.296 2.373 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1CCc1ccns1 930581892 674053468 /nfs/dbraw/zinc/05/34/68/674053468.db2.gz JMKNHGLGJPNPFH-BDAKNGLRSA-N 1 1 196.319 2.026 10 0 AEAEMO CC1CC(C[N@H+]2C[C@H](C)[C@H]2C)C1 930581187 674053612 /nfs/dbraw/zinc/05/36/12/674053612.db2.gz CCGYKIXYJMOCHK-LIZLNQBYSA-N 1 1 167.296 2.373 10 0 AEAEMO CC(C)CC(CC(C)C)[NH+]1CC(N)C1 163861214 1169270126 /nfs/dbraw/zinc/27/01/26/1169270126.db2.gz RILHZZVZFZOWHQ-UHFFFAOYSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@@H]1C[N@@H+](CCc2ccns2)[C@@H]1C 930581895 674053544 /nfs/dbraw/zinc/05/35/44/674053544.db2.gz JMKNHGLGJPNPFH-RKDXNWHRSA-N 1 1 196.319 2.026 10 0 AEAEMO CCc1ncc(C[N@H+]2C[C@H](C)[C@H]2C)o1 930581533 674053597 /nfs/dbraw/zinc/05/35/97/674053597.db2.gz GLLHQMLBAXTUAN-DTWKUNHWSA-N 1 1 194.278 2.077 10 0 AEAEMO C[C@H]1C[N@@H+](CCc2ccns2)[C@H]1C 930581894 674052763 /nfs/dbraw/zinc/05/27/63/674052763.db2.gz JMKNHGLGJPNPFH-IUCAKERBSA-N 1 1 196.319 2.026 10 0 AEAEMO CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H](C)[C@@H]1C 930583390 674052778 /nfs/dbraw/zinc/05/27/78/674052778.db2.gz XQVKMEPTGLOCDQ-YTWAJWBKSA-N 1 1 167.296 2.373 10 0 AEAEMO COC[C@H](C[N@H+]1C[C@@H](C)[C@@H]1C)C(C)C 930580886 674052817 /nfs/dbraw/zinc/05/28/17/674052817.db2.gz AJICLFZGWMDGFZ-WOPDTQHZSA-N 1 1 199.338 2.245 10 0 AEAEMO CCc1ncc(C[N@H+]2C[C@H](C)[C@@H]2C)o1 930581534 674052878 /nfs/dbraw/zinc/05/28/78/674052878.db2.gz GLLHQMLBAXTUAN-IUCAKERBSA-N 1 1 194.278 2.077 10 0 AEAEMO CC[C@@H]1C[C@H]1C[N@H+]1C[C@H](C)[C@@H]1C 930583389 674052978 /nfs/dbraw/zinc/05/29/78/674052978.db2.gz XQVKMEPTGLOCDQ-MMWGEVLESA-N 1 1 167.296 2.373 10 0 AEAEMO CC1CC(C[N@H+]2C[C@H](C)[C@@H]2C)C1 930581188 674053009 /nfs/dbraw/zinc/05/30/09/674053009.db2.gz CCGYKIXYJMOCHK-SEQHWMEXSA-N 1 1 167.296 2.373 10 0 AEAEMO CC[N@@H+](C[C@@H](C)OC)[C@H](C)C1CC1 930541143 674053033 /nfs/dbraw/zinc/05/30/33/674053033.db2.gz UZVOWNXCDLUYGF-NXEZZACHSA-N 1 1 185.311 2.142 10 0 AEAEMO CCc1ncc(C[N@H+]2C[C@@H](C)[C@H]2C)o1 930581535 674053153 /nfs/dbraw/zinc/05/31/53/674053153.db2.gz GLLHQMLBAXTUAN-RKDXNWHRSA-N 1 1 194.278 2.077 10 0 AEAEMO CC(C)(C)CCC[NH2+]Cc1ccn[nH]1 164313229 1169272249 /nfs/dbraw/zinc/27/22/49/1169272249.db2.gz IUYDXDBBFXJPPV-UHFFFAOYSA-N 1 1 195.310 2.326 10 0 AEAEMO CCc1ncc(C[N@H+]2C[C@@H](C)[C@@H]2C)o1 930581532 674053409 /nfs/dbraw/zinc/05/34/09/674053409.db2.gz GLLHQMLBAXTUAN-BDAKNGLRSA-N 1 1 194.278 2.077 10 0 AEAEMO C[C@H]1C[N@@H+](CCc2ccns2)[C@@H]1C 930581893 674053414 /nfs/dbraw/zinc/05/34/14/674053414.db2.gz JMKNHGLGJPNPFH-DTWKUNHWSA-N 1 1 196.319 2.026 10 0 AEAEMO CC[C@@H]1C[C@H]1C[N@H+]1C[C@H](C)[C@H]1C 930583391 674053666 /nfs/dbraw/zinc/05/36/66/674053666.db2.gz XQVKMEPTGLOCDQ-ZDCRXTMVSA-N 1 1 167.296 2.373 10 0 AEAEMO COC[C@H](C[N@H+]1C[C@H](C)[C@H]1C)C(C)C 930580884 674053896 /nfs/dbraw/zinc/05/38/96/674053896.db2.gz AJICLFZGWMDGFZ-TUAOUCFPSA-N 1 1 199.338 2.245 10 0 AEAEMO CC(C)CCC[N@H+]1C[C@@H](C)C[C@H](N)C1 165552141 1169273051 /nfs/dbraw/zinc/27/30/51/1169273051.db2.gz FHGDXJGKZIZGOC-RYUDHWBXSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)CCCN1C[C@@H](C)C[C@H]([NH3+])C1 165552141 1169273055 /nfs/dbraw/zinc/27/30/55/1169273055.db2.gz FHGDXJGKZIZGOC-RYUDHWBXSA-N 1 1 198.354 2.092 10 0 AEAEMO CO[C@@H]1CC[N@H+]([C@H](C)C2CC2)C[C@H]1C 930636312 674054140 /nfs/dbraw/zinc/05/41/40/674054140.db2.gz FNSHTDVEGDLFAW-CKYFFXLPSA-N 1 1 197.322 2.142 10 0 AEAEMO CO[C@@H]1CC[N@H+]([C@@H](C)C2CC2)C[C@@H]1C 930636314 674054328 /nfs/dbraw/zinc/05/43/28/674054328.db2.gz FNSHTDVEGDLFAW-JBLDHEPKSA-N 1 1 197.322 2.142 10 0 AEAEMO CC(C)CCCN1C[C@@H]([NH3+])CC[C@@H]1C 166012793 1169273414 /nfs/dbraw/zinc/27/34/14/1169273414.db2.gz XPXZHPOHCWOOSP-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCC[N@@H+]1C[C@@H](N)CC[C@@H]1C 166012793 1169273425 /nfs/dbraw/zinc/27/34/25/1169273425.db2.gz XPXZHPOHCWOOSP-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCC[N@H+]1C[C@@H](N)CC[C@@H]1C 166012793 1169273431 /nfs/dbraw/zinc/27/34/31/1169273431.db2.gz XPXZHPOHCWOOSP-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(F)(F)CCC[N@H+]1CC[C@@H](F)C1 930602853 674054665 /nfs/dbraw/zinc/05/46/65/674054665.db2.gz FGFJYRWMSPXUAC-MRVPVSSYSA-N 1 1 195.228 2.466 10 0 AEAEMO CS[C@@H]1CC[N@H+]([C@H](C)C2CC2)C1 930609260 674054669 /nfs/dbraw/zinc/05/46/69/674054669.db2.gz DVNFXHWOEHHSJL-PSASIEDQSA-N 1 1 185.336 2.222 10 0 AEAEMO CO[C@@H]1CC[N@H+]([C@H](C)C2CC2)C[C@@H]1C 930636313 674054790 /nfs/dbraw/zinc/05/47/90/674054790.db2.gz FNSHTDVEGDLFAW-HOSYDEDBSA-N 1 1 197.322 2.142 10 0 AEAEMO CS[C@@H]1CC[N@H+]([C@@H](C)C2CC2)C1 930609262 674054796 /nfs/dbraw/zinc/05/47/96/674054796.db2.gz DVNFXHWOEHHSJL-WCBMZHEXSA-N 1 1 185.336 2.222 10 0 AEAEMO CS[C@H]1CC[N@H+]([C@H](C)C2CC2)C1 930609261 674055194 /nfs/dbraw/zinc/05/51/94/674055194.db2.gz DVNFXHWOEHHSJL-SCZZXKLOSA-N 1 1 185.336 2.222 10 0 AEAEMO CC(F)(F)CCC[N@H+]1CC[C@H](F)C1 930602854 674055206 /nfs/dbraw/zinc/05/52/06/674055206.db2.gz FGFJYRWMSPXUAC-QMMMGPOBSA-N 1 1 195.228 2.466 10 0 AEAEMO CS[C@H]1CC[N@H+]([C@@H](C)C2CC2)C1 930609263 674055237 /nfs/dbraw/zinc/05/52/37/674055237.db2.gz DVNFXHWOEHHSJL-WPRPVWTQSA-N 1 1 185.336 2.222 10 0 AEAEMO CO[C@@H]1CC[N@H+]([C@@H](C)C2CC2)C[C@H]1C 930636315 674055337 /nfs/dbraw/zinc/05/53/37/674055337.db2.gz FNSHTDVEGDLFAW-JFGNBEQYSA-N 1 1 197.322 2.142 10 0 AEAEMO CC(C)CCCN1C[C@@H]([NH3+])CC[C@H]1C 166012671 1169274398 /nfs/dbraw/zinc/27/43/98/1169274398.db2.gz XPXZHPOHCWOOSP-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCC[N@@H+]1C[C@@H](N)CC[C@H]1C 166012671 1169274406 /nfs/dbraw/zinc/27/44/06/1169274406.db2.gz XPXZHPOHCWOOSP-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCC[N@H+]1C[C@@H](N)CC[C@H]1C 166012671 1169274415 /nfs/dbraw/zinc/27/44/15/1169274415.db2.gz XPXZHPOHCWOOSP-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCC[N@@H+]1C[C@@H](N)C[C@@H](C)C1 165552002 1169274609 /nfs/dbraw/zinc/27/46/09/1169274609.db2.gz FHGDXJGKZIZGOC-NEPJUHHUSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)CCCN1C[C@@H]([NH3+])C[C@@H](C)C1 165552002 1169274620 /nfs/dbraw/zinc/27/46/20/1169274620.db2.gz FHGDXJGKZIZGOC-NEPJUHHUSA-N 1 1 198.354 2.092 10 0 AEAEMO N[C@@H]1CCCC[C@@H]1[NH2+]C1CCCCC1 165776353 1169275316 /nfs/dbraw/zinc/27/53/16/1169275316.db2.gz WPHMAFXLKAGEKZ-NEPJUHHUSA-N 1 1 196.338 2.179 10 0 AEAEMO C1=C[C@@H]([NH2+]Cc2cscn2)CCC1 165896274 1169275359 /nfs/dbraw/zinc/27/53/59/1169275359.db2.gz LFRPXTYHBFJUCL-SECBINFHSA-N 1 1 194.303 2.341 10 0 AEAEMO CC(C)CCC[N@H+]1C[C@H](C)C[C@@H](N)C1 165552274 1169275540 /nfs/dbraw/zinc/27/55/40/1169275540.db2.gz FHGDXJGKZIZGOC-VXGBXAGGSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)CCCN1C[C@H](C)C[C@@H]([NH3+])C1 165552274 1169275544 /nfs/dbraw/zinc/27/55/44/1169275544.db2.gz FHGDXJGKZIZGOC-VXGBXAGGSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)CCC[N@H+]1C[C@@H](C)C[C@@H](N)C1 165552399 1169276134 /nfs/dbraw/zinc/27/61/34/1169276134.db2.gz FHGDXJGKZIZGOC-NWDGAFQWSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)CCCN1C[C@@H](C)C[C@@H]([NH3+])C1 165552399 1169276144 /nfs/dbraw/zinc/27/61/44/1169276144.db2.gz FHGDXJGKZIZGOC-NWDGAFQWSA-N 1 1 198.354 2.092 10 0 AEAEMO C1=C[C@H]([NH2+]Cc2cscn2)CCC1 165896189 1169276207 /nfs/dbraw/zinc/27/62/07/1169276207.db2.gz LFRPXTYHBFJUCL-VIFPVBQESA-N 1 1 194.303 2.341 10 0 AEAEMO CC(C)CCCN1[C@H](C)C[NH2+]C[C@H]1C 165542982 1169276601 /nfs/dbraw/zinc/27/66/01/1169276601.db2.gz JRJDTHLTFOMAKC-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)CCC[N@H+]1C[C@H](N)CC[C@@H]1C 166013021 1169276928 /nfs/dbraw/zinc/27/69/28/1169276928.db2.gz XPXZHPOHCWOOSP-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCCN1C[C@H]([NH3+])CC[C@@H]1C 166013021 1169276918 /nfs/dbraw/zinc/27/69/18/1169276918.db2.gz XPXZHPOHCWOOSP-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCC[N@@H+]1C[C@H](N)CC[C@@H]1C 166013021 1169276923 /nfs/dbraw/zinc/27/69/23/1169276923.db2.gz XPXZHPOHCWOOSP-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCCN1C[C@H]([NH3+])CC[C@H]1C 166012897 1169277077 /nfs/dbraw/zinc/27/70/77/1169277077.db2.gz XPXZHPOHCWOOSP-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCC[N@@H+]1C[C@H](N)CC[C@H]1C 166012897 1169277083 /nfs/dbraw/zinc/27/70/83/1169277083.db2.gz XPXZHPOHCWOOSP-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCC[N@H+]1C[C@H](N)CC[C@H]1C 166012897 1169277093 /nfs/dbraw/zinc/27/70/93/1169277093.db2.gz XPXZHPOHCWOOSP-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO Cc1coc(C[NH2+][C@@H](C)CF)c1 718093331 674058750 /nfs/dbraw/zinc/05/87/50/674058750.db2.gz KIHLAARLDPWJNR-QMMMGPOBSA-N 1 1 171.215 2.036 10 0 AEAEMO Cc1coc(C[NH2+]Cc2ccco2)c1 718106368 674059127 /nfs/dbraw/zinc/05/91/27/674059127.db2.gz AGFUIWQKTHZQMA-UHFFFAOYSA-N 1 1 191.230 2.471 10 0 AEAEMO Cc1coc(C[NH2+]Cc2ccoc2)c1 718107405 674059165 /nfs/dbraw/zinc/05/91/65/674059165.db2.gz GJOTUXUGKUDHEL-UHFFFAOYSA-N 1 1 191.230 2.471 10 0 AEAEMO C[N@@H+](C[C@@H](O)C1CC1)C1(C)CCCC1 720389045 674068645 /nfs/dbraw/zinc/06/86/45/674068645.db2.gz KWVXCOXRJJERNN-LLVKDONJSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@@H+](C[C@H](O)C1CC1)C1(C)CCCC1 720389048 674068741 /nfs/dbraw/zinc/06/87/41/674068741.db2.gz KWVXCOXRJJERNN-NSHDSACASA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)CC[C@@H](C)[N@H+]1CCC[C@@H]1CN 168796020 1169288564 /nfs/dbraw/zinc/28/85/64/1169288564.db2.gz MSVDNQBSRZAJDK-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCC[C@H](C)[N@H+]1CCC[C@@H]1CN 168802058 1169288637 /nfs/dbraw/zinc/28/86/37/1169288637.db2.gz AWUOFJSTWVDJPK-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC(CCC)[N@H+]1CCC[C@H]1CN 168784961 1169288885 /nfs/dbraw/zinc/28/88/85/1169288885.db2.gz JPRMOZXTKMBPNV-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@H](CC)[N@H+]1CCC[C@@H]1CN 168791570 1169290310 /nfs/dbraw/zinc/29/03/10/1169290310.db2.gz FVBWMBKKPQFWIK-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CC(C)=CCC[N@H+]1C[C@@H](N)C(C)(C)C1 720742632 674071253 /nfs/dbraw/zinc/07/12/53/674071253.db2.gz SQDJHLRZCIVYHO-LLVKDONJSA-N 1 1 196.338 2.012 10 0 AEAEMO CC(C)=CCCN1C[C@@H]([NH3+])C(C)(C)C1 720742632 674071255 /nfs/dbraw/zinc/07/12/55/674071255.db2.gz SQDJHLRZCIVYHO-LLVKDONJSA-N 1 1 196.338 2.012 10 0 AEAEMO CC(C)=CCC[N@H+]1C[C@H](N)C(C)(C)C1 720742634 674071299 /nfs/dbraw/zinc/07/12/99/674071299.db2.gz SQDJHLRZCIVYHO-NSHDSACASA-N 1 1 196.338 2.012 10 0 AEAEMO CC(C)=CCCN1C[C@H]([NH3+])C(C)(C)C1 720742634 674071301 /nfs/dbraw/zinc/07/13/01/674071301.db2.gz SQDJHLRZCIVYHO-NSHDSACASA-N 1 1 196.338 2.012 10 0 AEAEMO CC(C)CC[C@H](C)[N@H+]1CCC[C@@H]1CN 168796131 1169290493 /nfs/dbraw/zinc/29/04/93/1169290493.db2.gz MSVDNQBSRZAJDK-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC(CCC)[N@H+]1CCC[C@@H]1CN 168784879 1169290945 /nfs/dbraw/zinc/29/09/45/1169290945.db2.gz JPRMOZXTKMBPNV-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@@H](C)[N@H+]1CCC[C@@H]1CN 168801965 1169290989 /nfs/dbraw/zinc/29/09/89/1169290989.db2.gz AWUOFJSTWVDJPK-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO C[Si](C)(C)C[N@H+]1C[C@@H]2CCC[C@H]21 306416946 674072103 /nfs/dbraw/zinc/07/21/03/674072103.db2.gz XIANQEGPRFQAPJ-VHSXEESVSA-N 1 1 183.371 2.348 10 0 AEAEMO C[Si](C)(C)C[N@H+]1C[C@H]2CCC[C@@H]21 306416947 674072142 /nfs/dbraw/zinc/07/21/42/674072142.db2.gz XIANQEGPRFQAPJ-ZJUUUORDSA-N 1 1 183.371 2.348 10 0 AEAEMO CCCC[C@H](CC)[N@H+]1CCC[C@@H]1CN 168791642 1169291833 /nfs/dbraw/zinc/29/18/33/1169291833.db2.gz FVBWMBKKPQFWIK-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO C[Si](C)(C)C[N@H+]1C[C@H]2CCC[C@H]21 306416944 674072846 /nfs/dbraw/zinc/07/28/46/674072846.db2.gz XIANQEGPRFQAPJ-NXEZZACHSA-N 1 1 183.371 2.348 10 0 AEAEMO C[Si](C)(C)C[N@H+]1C[C@@H]2CCC[C@@H]21 306416945 674072930 /nfs/dbraw/zinc/07/29/30/674072930.db2.gz XIANQEGPRFQAPJ-UWVGGRQHSA-N 1 1 183.371 2.348 10 0 AEAEMO COC[C@H](Cn1cc[nH+]c1C)C(C)C 721765512 674077698 /nfs/dbraw/zinc/07/76/98/674077698.db2.gz WPFZULBFYLJQCT-NSHDSACASA-N 1 1 196.294 2.110 10 0 AEAEMO CC(C)(O)[C@H]1CC[N@H+](C2CCCC2)C1 721840814 674078097 /nfs/dbraw/zinc/07/80/97/674078097.db2.gz XBIKYWWTURISCQ-JTQLQIEISA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)(O)[C@@H]1CC[N@H+](C2CCCC2)C1 721840815 674078112 /nfs/dbraw/zinc/07/81/12/674078112.db2.gz XBIKYWWTURISCQ-SNVBAGLBSA-N 1 1 197.322 2.022 10 0 AEAEMO COC[C@@H](Cn1cc[nH+]c1C)C(C)C 721765511 674078156 /nfs/dbraw/zinc/07/81/56/674078156.db2.gz WPFZULBFYLJQCT-LLVKDONJSA-N 1 1 196.294 2.110 10 0 AEAEMO CC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C2CC2)C1 725330090 674080638 /nfs/dbraw/zinc/08/06/38/674080638.db2.gz NNLZALDOICPFJQ-JOYOIKCWSA-N 1 1 195.306 2.086 10 0 AEAEMO CC(=O)[C@H]1CCC[N@H+]([C@@H](C)C2CC2)C1 725330089 674080690 /nfs/dbraw/zinc/08/06/90/674080690.db2.gz NNLZALDOICPFJQ-CABZTGNLSA-N 1 1 195.306 2.086 10 0 AEAEMO CC(=O)[C@@H]1CCC[N@H+]([C@H](C)C2CC2)C1 725330088 674080734 /nfs/dbraw/zinc/08/07/34/674080734.db2.gz NNLZALDOICPFJQ-BXKDBHETSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@H]1CC[C@H]([N@@H+](C)CC(C)=O)C1 201290396 1169304054 /nfs/dbraw/zinc/30/40/54/1169304054.db2.gz IYTCEQCLBBAILL-QWRGUYRKSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@@H]1CC[C@H]([N@@H+](C)CC(C)=O)C1 201290363 1169304172 /nfs/dbraw/zinc/30/41/72/1169304172.db2.gz IYTCEQCLBBAILL-MNOVXSKESA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@H]1CC[C@@H]([N@@H+](C)CC(C)=O)C1 201290462 1169304501 /nfs/dbraw/zinc/30/45/01/1169304501.db2.gz IYTCEQCLBBAILL-WDEREUQCSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@@H]1CC[C@@H]([N@@H+](C)CC(C)=O)C1 201290431 1169304598 /nfs/dbraw/zinc/30/45/98/1169304598.db2.gz IYTCEQCLBBAILL-GHMZBOCLSA-N 1 1 183.295 2.086 10 0 AEAEMO Cc1cc(NC(=O)C(C)C)cc(C)[nH+]1 202275144 1169305601 /nfs/dbraw/zinc/30/56/01/1169305601.db2.gz RYKXBKKQQHUPMP-UHFFFAOYSA-N 1 1 192.262 2.293 10 0 AEAEMO CC[C@H]1CCC[N@H+](C2CCOCC2)C1 202162874 1169305723 /nfs/dbraw/zinc/30/57/23/1169305723.db2.gz QVFGDEKEDXWDJL-NSHDSACASA-N 1 1 197.322 2.287 10 0 AEAEMO C[N@@H+](CC(C)(C)C)C1CCOCC1 202014229 1169305778 /nfs/dbraw/zinc/30/57/78/1169305778.db2.gz XBYNLCOGUWZYFN-UHFFFAOYSA-N 1 1 185.311 2.143 10 0 AEAEMO C[N@@H+](CC(C)(C)C)C1CC1 202014139 1169307498 /nfs/dbraw/zinc/30/74/98/1169307498.db2.gz HHEJFEHSQZNZJM-UHFFFAOYSA-N 1 1 141.258 2.127 10 0 AEAEMO CC[N@@H+](CC(C)(C)C)CC(C)(C)O 202016413 1169308225 /nfs/dbraw/zinc/30/82/25/1169308225.db2.gz YOLSFPMRYOLARY-UHFFFAOYSA-N 1 1 187.327 2.125 10 0 AEAEMO CC1CCC([N@H+]2CCCOCC2)CC1 204285589 1169310197 /nfs/dbraw/zinc/31/01/97/1169310197.db2.gz LGWSHAYJWDTMMY-UHFFFAOYSA-N 1 1 197.322 2.287 10 0 AEAEMO C[C@H]1CC[N@H+]1CC(C)(C)C 204639425 1169316888 /nfs/dbraw/zinc/31/68/88/1169316888.db2.gz CZOBZSSHAKBJEA-QMMMGPOBSA-N 1 1 141.258 2.127 10 0 AEAEMO C[C@@H]1CC[N@H+]1CC(C)(C)C 204639415 1169317200 /nfs/dbraw/zinc/31/72/00/1169317200.db2.gz CZOBZSSHAKBJEA-MRVPVSSYSA-N 1 1 141.258 2.127 10 0 AEAEMO Cc1cccnc1C[N@H+](C)C(C)C 205257837 1169319862 /nfs/dbraw/zinc/31/98/62/1169319862.db2.gz JYJKLKOPJVRBPF-UHFFFAOYSA-N 1 1 178.279 2.230 10 0 AEAEMO CCC[C@@H]1CCC[N@H+]1CCF 208835026 1169324660 /nfs/dbraw/zinc/32/46/60/1169324660.db2.gz JHXGCCVHNHGPFV-SECBINFHSA-N 1 1 159.248 2.220 10 0 AEAEMO Cc1ccc2nc([C@H](C)[NH3+])[nH]c2c1C 213125183 1169333441 /nfs/dbraw/zinc/33/34/41/1169333441.db2.gz JIWVQLDRSYYOGA-QMMMGPOBSA-N 1 1 189.262 2.199 10 0 AEAEMO Cc1ccc2nc([C@@H](C)[NH3+])[nH]c2c1C 213125122 1169333806 /nfs/dbraw/zinc/33/38/06/1169333806.db2.gz JIWVQLDRSYYOGA-MRVPVSSYSA-N 1 1 189.262 2.199 10 0 AEAEMO CC(C)[N@H+]1CCc2cc(O)ccc2C1 213486329 1169333891 /nfs/dbraw/zinc/33/38/91/1169333891.db2.gz MMXIBFJBABWKKI-UHFFFAOYSA-N 1 1 191.274 2.159 10 0 AEAEMO CC(C)CCC[C@@H](C)[N@@H+]1CC[C@@H](N)C1 218883177 1169343737 /nfs/dbraw/zinc/34/37/37/1169343737.db2.gz DQRWZHDDRXKFAS-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCC[C@@H](C)[N@H+]1CC[C@@H](N)C1 218883177 1169343744 /nfs/dbraw/zinc/34/37/44/1169343744.db2.gz DQRWZHDDRXKFAS-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCCC[C@H](C)[N@H+]1CC[C@@H](N)C1 218944366 1169344137 /nfs/dbraw/zinc/34/41/37/1169344137.db2.gz SVFKOBNCHMXYSE-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCC[C@H](C)N1CC[C@@H]([NH3+])C1 218944366 1169344168 /nfs/dbraw/zinc/34/41/68/1169344168.db2.gz SVFKOBNCHMXYSE-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CC(C)CCC[C@H](C)[N@@H+]1CC[C@@H](N)C1 218883271 1169344282 /nfs/dbraw/zinc/34/42/82/1169344282.db2.gz DQRWZHDDRXKFAS-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCC[C@H](C)[N@H+]1CC[C@@H](N)C1 218883271 1169344291 /nfs/dbraw/zinc/34/42/91/1169344291.db2.gz DQRWZHDDRXKFAS-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCCC[C@@H](C)[N@H+]1CC[C@@H](N)C1 218944311 1169344426 /nfs/dbraw/zinc/34/44/26/1169344426.db2.gz SVFKOBNCHMXYSE-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCC[C@@H](C)N1CC[C@@H]([NH3+])C1 218944311 1169344446 /nfs/dbraw/zinc/34/44/46/1169344446.db2.gz SVFKOBNCHMXYSE-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CC1CCC([N@H+]2CC[C@](C)(O)C2)CC1 219829001 1169345604 /nfs/dbraw/zinc/34/56/04/1169345604.db2.gz HOSBXGVSAUHYQK-MCIGGMRASA-N 1 1 197.322 2.022 10 0 AEAEMO CCCC[N@@H+](CC)[C@H]1CC[C@@H](C)NC1 219951277 1169345993 /nfs/dbraw/zinc/34/59/93/1169345993.db2.gz DHUZJAULZCFIGW-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@H+](CC)[C@H]1CC[C@@H](C)NC1 219951277 1169345985 /nfs/dbraw/zinc/34/59/85/1169345985.db2.gz DHUZJAULZCFIGW-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H](C)NC1 219956770 1169346553 /nfs/dbraw/zinc/34/65/53/1169346553.db2.gz HUCNPPMXWNSUGT-IJLUTSLNSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H](C)NC1 219956770 1169346558 /nfs/dbraw/zinc/34/65/58/1169346558.db2.gz HUCNPPMXWNSUGT-IJLUTSLNSA-N 1 1 196.338 2.001 10 0 AEAEMO CCCC[N@H+](CC)[C@@H]1CC[C@@H](C)NC1 219951209 1169346719 /nfs/dbraw/zinc/34/67/19/1169346719.db2.gz DHUZJAULZCFIGW-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@@H+](CC)[C@@H]1CC[C@@H](C)NC1 219951209 1169346724 /nfs/dbraw/zinc/34/67/24/1169346724.db2.gz DHUZJAULZCFIGW-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CC1CCC([N@H+]2CC[C@@](C)(O)C2)CC1 219828950 1169346971 /nfs/dbraw/zinc/34/69/71/1169346971.db2.gz HOSBXGVSAUHYQK-HTAVTVPLSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC(CC)[N@H+](C)[C@H]1CC[C@@H](C)NC1 219955684 1169347150 /nfs/dbraw/zinc/34/71/50/1169347150.db2.gz XQVNJFQUKFTLMV-PWSUYJOCSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@H]1CC[C@@H](C)NC1 219955684 1169347162 /nfs/dbraw/zinc/34/71/62/1169347162.db2.gz XQVNJFQUKFTLMV-PWSUYJOCSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(CC)[N@H+](C)[C@@H]1CC[C@@H](C)NC1 219955637 1169347335 /nfs/dbraw/zinc/34/73/35/1169347335.db2.gz XQVNJFQUKFTLMV-ZYHUDNBSSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@H]1CC[C@@H](C)NC1 219955637 1169347345 /nfs/dbraw/zinc/34/73/45/1169347345.db2.gz XQVNJFQUKFTLMV-ZYHUDNBSSA-N 1 1 198.354 2.247 10 0 AEAEMO C[C@@H]1CCC[C@@H]([N@H+]2CC[C@@](C)(O)C2)C1 219829479 1169348036 /nfs/dbraw/zinc/34/80/36/1169348036.db2.gz BHTGINYOMOIPJP-IJLUTSLNSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1CCC[C@H]([N@H+]2CC[C@@](C)(O)C2)C1 219829594 1169348051 /nfs/dbraw/zinc/34/80/51/1169348051.db2.gz BHTGINYOMOIPJP-GRYCIOLGSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[N@H+]1CCc2cc(O)ccc2C1 220041478 1169348423 /nfs/dbraw/zinc/34/84/23/1169348423.db2.gz MMWSLQWXECMEJO-UHFFFAOYSA-N 1 1 191.274 2.160 10 0 AEAEMO CC[N@@H+](CCN)[C@@H]1CC[C@@H](C)[C@@H](C)C1 221037090 1169348997 /nfs/dbraw/zinc/34/89/97/1169348997.db2.gz NHVSTYQHVGVIBM-GRYCIOLGSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H](N)C[N@@H+](C)[C@@H]1CC[C@@H](C)[C@@H](C)C1 221297077 1169351042 /nfs/dbraw/zinc/35/10/42/1169351042.db2.gz OLTVSJFALDLLKM-NOOOWODRSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H]([NH3+])CN(C)[C@@H]1CC[C@@H](C)[C@@H](C)C1 221297077 1169351049 /nfs/dbraw/zinc/35/10/49/1169351049.db2.gz OLTVSJFALDLLKM-NOOOWODRSA-N 1 1 198.354 2.090 10 0 AEAEMO CCCCCC[N@H+]1CC[C@@H](C)[C@@H](O)C1 221468083 1169353494 /nfs/dbraw/zinc/35/34/94/1169353494.db2.gz DTDWCBJGIDDSAD-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CCCCCC[N@H+]1CC[C@H](C)[C@@H](O)C1 221468135 1169355335 /nfs/dbraw/zinc/35/53/35/1169355335.db2.gz DTDWCBJGIDDSAD-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)CC[C@@H](C)[N@H+]1CC[C@@H](CO)C1 224464886 1169363962 /nfs/dbraw/zinc/36/39/62/1169363962.db2.gz ZQNUNTKKCNOWQJ-VXGBXAGGSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@@H](CC)[N@H+]1CCNC[C@@H](C)C1 224510030 1169364035 /nfs/dbraw/zinc/36/40/35/1169364035.db2.gz IDNDFRNOGAXYNI-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](CC)[N@H+]1CCNC[C@@H](C)C1 224510077 1169364247 /nfs/dbraw/zinc/36/42/47/1169364247.db2.gz IDNDFRNOGAXYNI-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[N@H+]1CCC[C@@H]1c1nccs1 224754105 1169365288 /nfs/dbraw/zinc/36/52/88/1169365288.db2.gz SLLICZVWYZRPNT-MRVPVSSYSA-N 1 1 182.292 2.300 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCCN[C@@H](C)C1 224338790 1169365324 /nfs/dbraw/zinc/36/53/24/1169365324.db2.gz NMNXRCCYLPEQMN-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](C)CN1CCC[NH2+][C@@H](C)C1 224338790 1169365332 /nfs/dbraw/zinc/36/53/32/1169365332.db2.gz NMNXRCCYLPEQMN-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)CC[C@H](C)[N@H+]1CC[C@@H](CO)C1 224464939 1169365938 /nfs/dbraw/zinc/36/59/38/1169365938.db2.gz ZQNUNTKKCNOWQJ-NWDGAFQWSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](CC)[N@H+]1CCC(=O)[C@@H](C)C1 224504782 1169366176 /nfs/dbraw/zinc/36/61/76/1169366176.db2.gz KCXGYARWURAELB-QWRGUYRKSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCCN[C@@H](C)C1 224338839 1169366623 /nfs/dbraw/zinc/36/66/23/1169366623.db2.gz NMNXRCCYLPEQMN-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)CN1CCC[NH2+][C@@H](C)C1 224338839 1169366628 /nfs/dbraw/zinc/36/66/28/1169366628.db2.gz NMNXRCCYLPEQMN-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](CC)[N@H+]1CCC(=O)[C@@H](C)C1 224504737 1169366721 /nfs/dbraw/zinc/36/67/21/1169366721.db2.gz KCXGYARWURAELB-WDEREUQCSA-N 1 1 197.322 2.476 10 0 AEAEMO CCCCC[C@H](C)[N@H+]1CCN[C@@H](C)C1 225319555 1169368092 /nfs/dbraw/zinc/36/80/92/1169368092.db2.gz FUMPEEHFLVHWED-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCC[C@H](C)N1CC[NH2+][C@@H](C)C1 225319555 1169368100 /nfs/dbraw/zinc/36/81/00/1169368100.db2.gz FUMPEEHFLVHWED-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@@H](C)[N@H+]1CCC(=O)[C@@H](C)C1 225010723 1169368202 /nfs/dbraw/zinc/36/82/02/1169368202.db2.gz OXDZUQFXGFVKGH-WDEREUQCSA-N 1 1 197.322 2.476 10 0 AEAEMO CCCC[C@@H](C)[N@H+]1CCNC[C@@H](C)C1 225016303 1169368223 /nfs/dbraw/zinc/36/82/23/1169368223.db2.gz MQZHXSMDONEJGF-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[C@@H](C)N1CC[NH2+]C[C@@H](C)C1 225016303 1169368230 /nfs/dbraw/zinc/36/82/30/1169368230.db2.gz MQZHXSMDONEJGF-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCC[C@@H](C)[N@H+]1CCN[C@@H](C)C1 225319545 1169368395 /nfs/dbraw/zinc/36/83/95/1169368395.db2.gz FUMPEEHFLVHWED-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCC[C@@H](C)N1CC[NH2+][C@@H](C)C1 225319545 1169368401 /nfs/dbraw/zinc/36/84/01/1169368401.db2.gz FUMPEEHFLVHWED-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@@H](C)[N@H+]1CCN[C@@H](CC)C1 225352186 1169368430 /nfs/dbraw/zinc/36/84/30/1169368430.db2.gz VRIFTYPFMKUICI-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@@H](C)N1CC[NH2+][C@@H](CC)C1 225352186 1169368434 /nfs/dbraw/zinc/36/84/34/1169368434.db2.gz VRIFTYPFMKUICI-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@H](C)[N@H+]1CCN[C@@H](CC)C1 225352215 1169368766 /nfs/dbraw/zinc/36/87/66/1169368766.db2.gz VRIFTYPFMKUICI-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@H](C)N1CC[NH2+][C@@H](CC)C1 225352215 1169368775 /nfs/dbraw/zinc/36/87/75/1169368775.db2.gz VRIFTYPFMKUICI-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H](C)CN1C[C@H](C)[NH2+][C@@H](C)C1 225152637 1169369157 /nfs/dbraw/zinc/36/91/57/1169369157.db2.gz UTFBZVKLWZHBKN-WOPDTQHZSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[C@H](C)[N@H+]1CCNC[C@@H](C)C1 225016343 1169369340 /nfs/dbraw/zinc/36/93/40/1169369340.db2.gz MQZHXSMDONEJGF-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[C@H](C)N1CC[NH2+]C[C@@H](C)C1 225016343 1169369347 /nfs/dbraw/zinc/36/93/47/1169369347.db2.gz MQZHXSMDONEJGF-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](CC)[N@H+]1CCN[C@@H](CC)C1 225351049 1169369606 /nfs/dbraw/zinc/36/96/06/1169369606.db2.gz UKUSYRMGUJRPQN-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCN[C@@H](CC(C)C)C1 225299716 1169369624 /nfs/dbraw/zinc/36/96/24/1169369624.db2.gz NOXZGCNWURCCOD-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)N1CC[NH2+][C@@H](CC(C)C)C1 225299716 1169369630 /nfs/dbraw/zinc/36/96/30/1169369630.db2.gz NOXZGCNWURCCOD-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)CC[C@@H](C)[N@H+]1CCN[C@@H](C)C1 225364470 1169370201 /nfs/dbraw/zinc/37/02/01/1169370201.db2.gz WIDVKBADOMUQRC-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)CC[C@@H](C)N1CC[NH2+][C@@H](C)C1 225364470 1169370206 /nfs/dbraw/zinc/37/02/06/1169370206.db2.gz WIDVKBADOMUQRC-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[N@H+]1CCN[C@@H](CC(C)C)C1 225299748 1169370328 /nfs/dbraw/zinc/37/03/28/1169370328.db2.gz NOXZGCNWURCCOD-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)N1CC[NH2+][C@@H](CC(C)C)C1 225299748 1169370337 /nfs/dbraw/zinc/37/03/37/1169370337.db2.gz NOXZGCNWURCCOD-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)CC[C@@H](C)[N@H+]1CCNC[C@@H]1C 225565429 1169370359 /nfs/dbraw/zinc/37/03/59/1169370359.db2.gz UCLUZIPCLJFDBY-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)CC[C@@H](C)N1CC[NH2+]C[C@@H]1C 225565429 1169370366 /nfs/dbraw/zinc/37/03/66/1169370366.db2.gz UCLUZIPCLJFDBY-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)C[N@H+]1C[C@@H](N)CC[C@@H]1C 225345250 1169370599 /nfs/dbraw/zinc/37/05/99/1169370599.db2.gz HAGZFVPZLYLELN-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)CN1C[C@@H]([NH3+])CC[C@@H]1C 225345250 1169370606 /nfs/dbraw/zinc/37/06/06/1169370606.db2.gz HAGZFVPZLYLELN-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@H](C)[N@H+]1CCC(=O)[C@@H](C)C1 225010766 1169370707 /nfs/dbraw/zinc/37/07/07/1169370707.db2.gz OXDZUQFXGFVKGH-QWRGUYRKSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC[C@@H](CC)[N@H+]1CCN[C@@H](CC)C1 225351005 1169370741 /nfs/dbraw/zinc/37/07/41/1169370741.db2.gz UKUSYRMGUJRPQN-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1C[N@@H+]([C@H](C)CCC)CCN1 225297529 1169370862 /nfs/dbraw/zinc/37/08/62/1169370862.db2.gz WSTOGTUSCMWFFT-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1CN([C@H](C)CCC)CC[NH2+]1 225297529 1169370870 /nfs/dbraw/zinc/37/08/70/1169370870.db2.gz WSTOGTUSCMWFFT-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO C[C@H]1C[C@H](C)CC[N@H+]1CCCCCO 225749169 1169371242 /nfs/dbraw/zinc/37/12/42/1169371242.db2.gz IDXJFJRCQIZKDK-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CCCC[C@H](CCC)[N@H+]1CC[C@@H](N)C1 225888173 1169371445 /nfs/dbraw/zinc/37/14/45/1169371445.db2.gz MCUUHIVZYVNFRP-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@H](C)[N@H+]1CCCN[C@@H](C)C1 225880769 1169371536 /nfs/dbraw/zinc/37/15/36/1169371536.db2.gz PGGCXFKFNZWXNJ-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@H](C)N1CCC[NH2+][C@@H](C)C1 225880769 1169371542 /nfs/dbraw/zinc/37/15/42/1169371542.db2.gz PGGCXFKFNZWXNJ-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H](CC)[N@H+]1CCCN[C@@H](C)C1 225880070 1169371659 /nfs/dbraw/zinc/37/16/59/1169371659.db2.gz FCDLMKBIWGTGQY-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO C[C@H]1CC[N@@H+](CCCCCO)[C@@H](C)C1 225749194 1169371972 /nfs/dbraw/zinc/37/19/72/1169371972.db2.gz IDXJFJRCQIZKDK-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@H](CC)[N@H+]1CCCN[C@@H](C)C1 225880083 1169372027 /nfs/dbraw/zinc/37/20/27/1169372027.db2.gz FCDLMKBIWGTGQY-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H](O)C[N@H+]1CC[C@@H](C)C[C@@H]1C 225761001 1169372506 /nfs/dbraw/zinc/37/25/06/1169372506.db2.gz TVXFOJGLTCWTPY-WOPDTQHZSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCC[C@@H](C)[N@H+]1CCCN[C@@H](C)C1 225880750 1169372588 /nfs/dbraw/zinc/37/25/88/1169372588.db2.gz PGGCXFKFNZWXNJ-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@@H](C)N1CCC[NH2+][C@@H](C)C1 225880750 1169372594 /nfs/dbraw/zinc/37/25/94/1169372594.db2.gz PGGCXFKFNZWXNJ-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@@H](CCC)[N@H+]1CC[C@@H](N)C1 225888155 1169372805 /nfs/dbraw/zinc/37/28/05/1169372805.db2.gz MCUUHIVZYVNFRP-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO C[C@H](O)C[N@H+]1CCC[C@H]2CCCC[C@H]21 226128022 1169373275 /nfs/dbraw/zinc/37/32/75/1169373275.db2.gz BOBRHCBSFMXXSJ-QJPTWQEYSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCCCC[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 226299169 1169373334 /nfs/dbraw/zinc/37/33/34/1169373334.db2.gz KLJXLAPLZIGXHQ-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[C@@H](CCC)N1CC[NH2+]CC1 226086216 1169373882 /nfs/dbraw/zinc/37/38/82/1169373882.db2.gz OHXFAHJSGUZKDE-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CC[C@@H](C)[C@@H](N)C1 226297378 1169375157 /nfs/dbraw/zinc/37/51/57/1169375157.db2.gz RODRBKFTTHQMOQ-UTUOFQBUSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@@H](C)CN1CC[C@@H](C)[C@@H]([NH3+])C1 226297378 1169375164 /nfs/dbraw/zinc/37/51/64/1169375164.db2.gz RODRBKFTTHQMOQ-UTUOFQBUSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[C@H](CCC)N1CC[NH2+]CC1 226086222 1169375686 /nfs/dbraw/zinc/37/56/86/1169375686.db2.gz OHXFAHJSGUZKDE-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@@H](C)[C@@H](N)C1 226297385 1169375699 /nfs/dbraw/zinc/37/56/99/1169375699.db2.gz RODRBKFTTHQMOQ-TUAOUCFPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H](C)CN1CC[C@@H](C)[C@@H]([NH3+])C1 226297385 1169375705 /nfs/dbraw/zinc/37/57/05/1169375705.db2.gz RODRBKFTTHQMOQ-TUAOUCFPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[C@H](CC)[N@H+]1CCC[C@@H](N)C1 225948201 1169376305 /nfs/dbraw/zinc/37/63/05/1169376305.db2.gz RWYFCYXVWABKAP-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@H](CC)N1CCC[C@@H]([NH3+])C1 225948201 1169376310 /nfs/dbraw/zinc/37/63/10/1169376310.db2.gz RWYFCYXVWABKAP-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC(CC)C[N@H+]1CC[C@@H](C)[C@@H](N)C1 226297576 1169376393 /nfs/dbraw/zinc/37/63/93/1169376393.db2.gz ILDMEMBJJAQSJR-PWSUYJOCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(CC)CN1CC[C@@H](C)[C@@H]([NH3+])C1 226297576 1169376401 /nfs/dbraw/zinc/37/64/01/1169376401.db2.gz ILDMEMBJJAQSJR-PWSUYJOCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[C@@H](CC)[N@H+]1CCC[C@@H](N)C1 225948180 1169376419 /nfs/dbraw/zinc/37/64/19/1169376419.db2.gz RWYFCYXVWABKAP-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@H](CC)N1CCC[C@@H]([NH3+])C1 225948180 1169376429 /nfs/dbraw/zinc/37/64/29/1169376429.db2.gz RWYFCYXVWABKAP-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO Cc1cncc(-c2c[nH+]c(N)cc2C)c1 227963290 1169380410 /nfs/dbraw/zinc/38/04/10/1169380410.db2.gz NPOUGLJLQXKPGU-UHFFFAOYSA-N 1 1 199.257 2.343 10 0 AEAEMO Cc1cncc(-c2ccc(N)[nH+]c2C)c1 227963225 1169380559 /nfs/dbraw/zinc/38/05/59/1169380559.db2.gz CBKKJCFCRJBYAQ-UHFFFAOYSA-N 1 1 199.257 2.343 10 0 AEAEMO C[C@H]1C[N@@H+]([C@H]2CC[C@@H](C)C2)CCC1=O 228967608 1169384969 /nfs/dbraw/zinc/38/49/69/1169384969.db2.gz OBHXUQAQIKJJIO-VWYCJHECSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@H]1C[N@@H+]([C@@H]2CC[C@@H](C)C2)CCC1=O 228967632 1169385037 /nfs/dbraw/zinc/38/50/37/1169385037.db2.gz OBHXUQAQIKJJIO-OUAUKWLOSA-N 1 1 195.306 2.086 10 0 AEAEMO CCCC[N@@H+](CC)[C@H]1CC[NH2+][C@@H](C)C1 229538397 1169385376 /nfs/dbraw/zinc/38/53/76/1169385376.db2.gz OTCJMVCXBLVNDY-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO C[C@H]1C[C@@H]([N@@H+](C)C2CCCC2)CC[NH2+]1 229541188 1169385599 /nfs/dbraw/zinc/38/55/99/1169385599.db2.gz ADSJFSVFNMHNTL-JQWIXIFHSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@H]1C[C@H]([N@@H+](C)C2CCCC2)CC[NH2+]1 229541170 1169386181 /nfs/dbraw/zinc/38/61/81/1169386181.db2.gz ADSJFSVFNMHNTL-CMPLNLGQSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@@H]1C[C@@H]([N@@H+](C)CC(C)(C)C)CC[NH2+]1 229545522 1169386298 /nfs/dbraw/zinc/38/62/98/1169386298.db2.gz NMAQJMNUTQETLD-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@H]1CC[NH2+][C@@H](C)C1 229542052 1169386685 /nfs/dbraw/zinc/38/66/85/1169386685.db2.gz XUJWMJCRJJCIPE-CMPLNLGQSA-N 1 1 198.354 2.247 10 0 AEAEMO C[C@@H]1C[C@H]([N@@H+](C)C2CCCC2)CC[NH2+]1 229541161 1169386965 /nfs/dbraw/zinc/38/69/65/1169386965.db2.gz ADSJFSVFNMHNTL-ZYHUDNBSSA-N 1 1 196.338 2.001 10 0 AEAEMO Cc1cc(-c2ccc(N)[nH+]c2C)ccn1 229579588 1169392598 /nfs/dbraw/zinc/39/25/98/1169392598.db2.gz VPYRTXMKAYAXFW-UHFFFAOYSA-N 1 1 199.257 2.343 10 0 AEAEMO C[C@H]1C[C@H]([N@@H+](C)CC(C)(C)C)CC[NH2+]1 229545517 1169388260 /nfs/dbraw/zinc/38/82/60/1169388260.db2.gz NMAQJMNUTQETLD-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H]1C[C@H]([N@@H+](C)CC(C)(C)C)CC[NH2+]1 229545511 1169388589 /nfs/dbraw/zinc/38/85/89/1169388589.db2.gz NMAQJMNUTQETLD-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCCC[N@@H+](C)[C@H]1CC[NH2+][C@@H](C)C1 229541521 1169388684 /nfs/dbraw/zinc/38/86/84/1169388684.db2.gz IIMFNXOLIJDRSX-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO C[C@@H]1C[C@@H]([N@@H+](C)C2CCCC2)CC[NH2+]1 229541177 1169388717 /nfs/dbraw/zinc/38/87/17/1169388717.db2.gz ADSJFSVFNMHNTL-PWSUYJOCSA-N 1 1 196.338 2.001 10 0 AEAEMO CCCC[N@@H+](CC)[C@@H]1CC[NH2+][C@@H](C)C1 229538389 1169388837 /nfs/dbraw/zinc/38/88/37/1169388837.db2.gz OTCJMVCXBLVNDY-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO C[C@H]1C[C@@H]([N@@H+](C)CC(C)(C)C)CC[NH2+]1 229545528 1169389069 /nfs/dbraw/zinc/38/90/69/1169389069.db2.gz NMAQJMNUTQETLD-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCCC[N@@H+](C)[C@@H]1CC[NH2+][C@@H](C)C1 229541512 1169389554 /nfs/dbraw/zinc/38/95/54/1169389554.db2.gz IIMFNXOLIJDRSX-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@H]1CC[NH2+][C@@H](C)C1 229542059 1169389666 /nfs/dbraw/zinc/38/96/66/1169389666.db2.gz XUJWMJCRJJCIPE-JQWIXIFHSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 229542926 1169390153 /nfs/dbraw/zinc/39/01/53/1169390153.db2.gz MDEPUMRNGJYFRA-QJPTWQEYSA-N 1 1 196.338 2.001 10 0 AEAEMO Cc1cc(-c2c[nH+]c(N)cc2C)ccn1 229579558 1169392409 /nfs/dbraw/zinc/39/24/09/1169392409.db2.gz ORUWBEHCKGCSRT-UHFFFAOYSA-N 1 1 199.257 2.343 10 0 AEAEMO C[C@@H]1CC[N@H+](C2CCCCC2)C[C@@H]1O 230266780 1169395853 /nfs/dbraw/zinc/39/58/53/1169395853.db2.gz STLDDIHXIHOTCE-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)CCC[N@H+]1CC[C@@H](C)[C@@H](O)C1 230267036 1169397269 /nfs/dbraw/zinc/39/72/69/1169397269.db2.gz ATILOVDBWBMERZ-NEPJUHHUSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC(CC)C[N@H+]1CC[C@H](C)[C@@H](O)C1 230268671 1169397897 /nfs/dbraw/zinc/39/78/97/1169397897.db2.gz LLPJSZOAJDDMDS-JQWIXIFHSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@@H](C)[C@@H](O)C1 230268084 1169398398 /nfs/dbraw/zinc/39/83/98/1169398398.db2.gz SROCLTSTWMBNFK-TUAOUCFPSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)CCC[N@H+]1CC[C@H](C)[C@@H](O)C1 230267041 1169399764 /nfs/dbraw/zinc/39/97/64/1169399764.db2.gz ATILOVDBWBMERZ-RYUDHWBXSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC(CC)C[N@H+]1CC[C@@H](C)[C@@H](O)C1 230268667 1169400604 /nfs/dbraw/zinc/40/06/04/1169400604.db2.gz LLPJSZOAJDDMDS-PWSUYJOCSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@@]1(O)CC[N@H+](C2CCCCCC2)C1 231702059 1169403507 /nfs/dbraw/zinc/40/35/07/1169403507.db2.gz XGJPEJLFPDGIEC-GFCCVEGCSA-N 1 1 197.322 2.166 10 0 AEAEMO C[C@]1(O)CC[N@H+](C2CCCCCC2)C1 231702063 1169404386 /nfs/dbraw/zinc/40/43/86/1169404386.db2.gz XGJPEJLFPDGIEC-LBPRGKRZSA-N 1 1 197.322 2.166 10 0 AEAEMO CC(C)[N@@H+](C)Cc1ccc(O)c(F)c1 232449596 1169408002 /nfs/dbraw/zinc/40/80/02/1169408002.db2.gz GNSQWTDZZNRXOI-UHFFFAOYSA-N 1 1 197.253 2.372 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCCC[C@@H]1CO 233276389 1169409541 /nfs/dbraw/zinc/40/95/41/1169409541.db2.gz ZCCHAZKDFXGRJP-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO CCCC[C@@H](CC)C[N@@H+]1CCC(=O)C1 233006217 1169409550 /nfs/dbraw/zinc/40/95/50/1169409550.db2.gz PMSAZMGIBOCQEX-LLVKDONJSA-N 1 1 197.322 2.478 10 0 AEAEMO CCCC[C@@H](CC)C[N@H+]1CCC(=O)C1 233006217 1169409554 /nfs/dbraw/zinc/40/95/54/1169409554.db2.gz PMSAZMGIBOCQEX-LLVKDONJSA-N 1 1 197.322 2.478 10 0 AEAEMO CCCC[C@H](CC)C[N@@H+]1CCC(=O)C1 233002222 1169409835 /nfs/dbraw/zinc/40/98/35/1169409835.db2.gz PMSAZMGIBOCQEX-NSHDSACASA-N 1 1 197.322 2.478 10 0 AEAEMO CCCC[C@H](CC)C[N@H+]1CCC(=O)C1 233002222 1169409839 /nfs/dbraw/zinc/40/98/39/1169409839.db2.gz PMSAZMGIBOCQEX-NSHDSACASA-N 1 1 197.322 2.478 10 0 AEAEMO CCCC[C@H](C)[NH2+]Cc1noc(C)n1 232994136 1169409874 /nfs/dbraw/zinc/40/98/74/1169409874.db2.gz VKRIZBUQKIFWMB-QMMMGPOBSA-N 1 1 197.282 2.046 10 0 AEAEMO CCC[C@@H](C)[N@@H+](CCCO)C(C)C 233275630 1169410909 /nfs/dbraw/zinc/41/09/09/1169410909.db2.gz UUHFAUHTNGKLMA-LLVKDONJSA-N 1 1 187.327 2.268 10 0 AEAEMO CC[N@@H+](CCN)CC1(C)CCCCC1 233451727 1169411955 /nfs/dbraw/zinc/41/19/55/1169411955.db2.gz FVYPBOZDICFLCU-UHFFFAOYSA-N 1 1 198.354 2.237 10 0 AEAEMO CCN(CC[NH3+])CC1(C)CCCCC1 233451727 1169411959 /nfs/dbraw/zinc/41/19/59/1169411959.db2.gz FVYPBOZDICFLCU-UHFFFAOYSA-N 1 1 198.354 2.237 10 0 AEAEMO CCC[C@@H](CC)[N@H+]1CC[C@@H](C)[C@@H](N)C1 233284488 1169412650 /nfs/dbraw/zinc/41/26/50/1169412650.db2.gz UKSIFVUISRNLGK-UTUOFQBUSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H](CC)N1CC[C@@H](C)[C@@H]([NH3+])C1 233284488 1169412651 /nfs/dbraw/zinc/41/26/51/1169412651.db2.gz UKSIFVUISRNLGK-UTUOFQBUSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](CC)[NH2+]Cc1noc(C)n1 233346130 1169413304 /nfs/dbraw/zinc/41/33/04/1169413304.db2.gz PLMHQBQUBWWTGL-VIFPVBQESA-N 1 1 197.282 2.046 10 0 AEAEMO CCC[C@H](C)[N@@H+](CCCO)C(C)C 233333816 1169413510 /nfs/dbraw/zinc/41/35/10/1169413510.db2.gz UUHFAUHTNGKLMA-NSHDSACASA-N 1 1 187.327 2.268 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCCC[C@@H]1CO 233334797 1169413568 /nfs/dbraw/zinc/41/35/68/1169413568.db2.gz ZCCHAZKDFXGRJP-WDEREUQCSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[C@H](CC)[N@H+]1CC[C@@H](C)[C@@H](N)C1 233342320 1169413723 /nfs/dbraw/zinc/41/37/23/1169413723.db2.gz UKSIFVUISRNLGK-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](CC)N1CC[C@@H](C)[C@@H]([NH3+])C1 233342320 1169413728 /nfs/dbraw/zinc/41/37/28/1169413728.db2.gz UKSIFVUISRNLGK-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H](CC)[NH2+]Cc1noc(C)n1 233287508 1169413758 /nfs/dbraw/zinc/41/37/58/1169413758.db2.gz PLMHQBQUBWWTGL-SECBINFHSA-N 1 1 197.282 2.046 10 0 AEAEMO Fc1cccc(F)c1Nc1[nH]cc[nH+]1 236149809 1169418280 /nfs/dbraw/zinc/41/82/80/1169418280.db2.gz XNDGGQNODMHESA-UHFFFAOYSA-N 1 1 195.172 2.432 10 0 AEAEMO c1cn2cc(OC3CCC3)ccc2[nH+]1 238054704 1169418349 /nfs/dbraw/zinc/41/83/49/1169418349.db2.gz OFUMRYIAABQJAQ-UHFFFAOYSA-N 1 1 188.230 2.266 10 0 AEAEMO CC(C)CNc1cc(Cl)cc(N)[nH+]1 238141975 1169419158 /nfs/dbraw/zinc/41/91/58/1169419158.db2.gz OIFIKJANFSTBEA-UHFFFAOYSA-N 1 1 199.685 2.385 10 0 AEAEMO Nc1cc(CCC(F)(F)F)cc[nH+]1 238658583 1169422649 /nfs/dbraw/zinc/42/26/49/1169422649.db2.gz UMDBVENLKLZCGO-UHFFFAOYSA-N 1 1 190.168 2.159 10 0 AEAEMO CC[N@@H+](CCN)[C@@H]1CC[C@H](C)[C@@H](C)C1 249711078 1169424613 /nfs/dbraw/zinc/42/46/13/1169424613.db2.gz NHVSTYQHVGVIBM-SDDRHHMPSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](CCN)[C@@H]1CC[C@@H](C)[C@H](C)C1 249711076 1169424731 /nfs/dbraw/zinc/42/47/31/1169424731.db2.gz NHVSTYQHVGVIBM-IJLUTSLNSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[N@H+]([C@H]1CCCNC1)[C@H](C)CC 249740194 1169424991 /nfs/dbraw/zinc/42/49/91/1169424991.db2.gz FBZFLLAEEFLSFG-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCN([C@H]1CCC[NH2+]C1)[C@H](C)CC 249740194 1169424996 /nfs/dbraw/zinc/42/49/96/1169424996.db2.gz FBZFLLAEEFLSFG-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@@H+](CC)C[C@@H]1CCCC[C@H]1O 250070998 1169425102 /nfs/dbraw/zinc/42/51/02/1169425102.db2.gz YWONOTWEBWRNOC-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[N@@H+](CC)C[C@H]1CCCC[C@H]1O 250071002 1169425281 /nfs/dbraw/zinc/42/52/81/1169425281.db2.gz YWONOTWEBWRNOC-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC(CC)C[N@H+]1C[C@@H](N)CC[C@H]1C 250382679 1169425618 /nfs/dbraw/zinc/42/56/18/1169425618.db2.gz FJMRXPNMKFUOLA-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)CN1C[C@@H]([NH3+])CC[C@H]1C 250382679 1169425623 /nfs/dbraw/zinc/42/56/23/1169425623.db2.gz FJMRXPNMKFUOLA-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](CCN)[C@@H]1C[C@@H](C)C[C@@H](C)C1 249712608 1169425672 /nfs/dbraw/zinc/42/56/72/1169425672.db2.gz OXQSERRLGCQZTI-GDNZZTSVSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(CC)C[N@H+]1C[C@H](N)CC[C@H]1C 250382683 1169425804 /nfs/dbraw/zinc/42/58/04/1169425804.db2.gz FJMRXPNMKFUOLA-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)CN1C[C@H]([NH3+])CC[C@H]1C 250382683 1169425806 /nfs/dbraw/zinc/42/58/06/1169425806.db2.gz FJMRXPNMKFUOLA-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](CC)[N@H+]1CCNC[C@H]1CC 251126353 1169427437 /nfs/dbraw/zinc/42/74/37/1169427437.db2.gz IYJJUWCLOQXGQQ-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H](C)C[N@H+]1C[C@H](C)C[C@@H](N)C1 251389839 1169428869 /nfs/dbraw/zinc/42/88/69/1169428869.db2.gz XTTIQUITUNRQLX-QJPTWQEYSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@@H](C)[C@H](N)C1 251356488 1169429221 /nfs/dbraw/zinc/42/92/21/1169429221.db2.gz RODRBKFTTHQMOQ-QJPTWQEYSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@@H](CC)[N@H+]1CCNC[C@H]1CC 251126354 1169427883 /nfs/dbraw/zinc/42/78/83/1169427883.db2.gz IYJJUWCLOQXGQQ-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H](CC)[N@H+]1C[C@H](C)NC[C@H]1C 251201540 1169427945 /nfs/dbraw/zinc/42/79/45/1169427945.db2.gz VJDAJTYASZQURW-TUAOUCFPSA-N 1 1 198.354 2.247 10 0 AEAEMO CCCC[C@H](C)[N@H+]1CCNC[C@H]1CC 251260034 1169428708 /nfs/dbraw/zinc/42/87/08/1169428708.db2.gz BTTPOMHXJZZUCM-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@H](C)N1CC[NH2+]C[C@H]1CC 251260034 1169428714 /nfs/dbraw/zinc/42/87/14/1169428714.db2.gz BTTPOMHXJZZUCM-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCNCC[C@H]1C 251348721 1169428794 /nfs/dbraw/zinc/42/87/94/1169428794.db2.gz QDXMFMSZZMKITR-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)C[N@H+](C)[C@H]1CCCNC1 251280721 1169428904 /nfs/dbraw/zinc/42/89/04/1169428904.db2.gz GGVWGGDTWOZBLS-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)[C@H]1CCCNC1 251280721 1169428915 /nfs/dbraw/zinc/42/89/15/1169428915.db2.gz GGVWGGDTWOZBLS-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)CN1C[C@H](C)C[C@@H]([NH3+])C1 251389839 1169428876 /nfs/dbraw/zinc/42/88/76/1169428876.db2.gz XTTIQUITUNRQLX-QJPTWQEYSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H](C)CN1CC[C@@H](C)[C@H]([NH3+])C1 251356488 1169429225 /nfs/dbraw/zinc/42/92/25/1169429225.db2.gz RODRBKFTTHQMOQ-QJPTWQEYSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCNCC[C@H]1C 251348722 1169429272 /nfs/dbraw/zinc/42/92/72/1169429272.db2.gz QDXMFMSZZMKITR-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[C@@H](C)[N@H+]1CCNC[C@H]1CC 251260037 1169429422 /nfs/dbraw/zinc/42/94/22/1169429422.db2.gz BTTPOMHXJZZUCM-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@@H](C)N1CC[NH2+]C[C@H]1CC 251260037 1169429425 /nfs/dbraw/zinc/42/94/25/1169429425.db2.gz BTTPOMHXJZZUCM-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCNC[C@H]1CC 251401811 1169429463 /nfs/dbraw/zinc/42/94/63/1169429463.db2.gz ZWFXAIYVKWZXAB-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](C)CN1CC[NH2+]C[C@H]1CC 251401811 1169429466 /nfs/dbraw/zinc/42/94/66/1169429466.db2.gz ZWFXAIYVKWZXAB-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](C)C[N@H+](C)[C@H]1CCCNC1 251280711 1169429554 /nfs/dbraw/zinc/42/95/54/1169429554.db2.gz GGVWGGDTWOZBLS-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)[C@H]1CCCNC1 251280711 1169429557 /nfs/dbraw/zinc/42/95/57/1169429557.db2.gz GGVWGGDTWOZBLS-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCNC[C@H]1C(C)C 251297218 1169429640 /nfs/dbraw/zinc/42/96/40/1169429640.db2.gz IMNJLSQYPOHUDM-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)CN1[C@H](C)C[NH2+]C[C@H]1C 251320791 1169429687 /nfs/dbraw/zinc/42/96/87/1169429687.db2.gz LVTOVGCATWBVKU-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCNC[C@H]1C(C)C 251297217 1169429704 /nfs/dbraw/zinc/42/97/04/1169429704.db2.gz IMNJLSQYPOHUDM-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCNC[C@H]1CC 251401809 1169429728 /nfs/dbraw/zinc/42/97/28/1169429728.db2.gz ZWFXAIYVKWZXAB-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)CN1CC[NH2+]C[C@H]1CC 251401809 1169429730 /nfs/dbraw/zinc/42/97/30/1169429730.db2.gz ZWFXAIYVKWZXAB-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)C[N@H+]1C[C@@H](C)C[C@H](N)C1 251389841 1169429737 /nfs/dbraw/zinc/42/97/37/1169429737.db2.gz XTTIQUITUNRQLX-SRVKXCTJSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H](C)CN1C[C@@H](C)C[C@H]([NH3+])C1 251389841 1169429739 /nfs/dbraw/zinc/42/97/39/1169429739.db2.gz XTTIQUITUNRQLX-SRVKXCTJSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1CC[C@@H]([N@@H+]2CCC(=O)C2)C[C@H]1C 251583956 1169430120 /nfs/dbraw/zinc/43/01/20/1169430120.db2.gz CBXYHDZNCAOLKS-GMTAPVOTSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@@H]1CC[C@@H]([N@H+]2CCC(=O)C2)C[C@H]1C 251583956 1169430126 /nfs/dbraw/zinc/43/01/26/1169430126.db2.gz CBXYHDZNCAOLKS-GMTAPVOTSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@H](N)C[N@@H+](C)C1C[C@@H](C)C[C@H](C)C1 252140788 1169430767 /nfs/dbraw/zinc/43/07/67/1169430767.db2.gz NEXXKNXVBQJEHS-DCAQKATOSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H]([NH3+])CN(C)C1C[C@@H](C)C[C@H](C)C1 252140788 1169430769 /nfs/dbraw/zinc/43/07/69/1169430769.db2.gz NEXXKNXVBQJEHS-DCAQKATOSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CCC(=O)C[C@H]1C 251716308 1169430787 /nfs/dbraw/zinc/43/07/87/1169430787.db2.gz DOODVFRTMQGVOQ-NXEZZACHSA-N 1 1 183.295 2.086 10 0 AEAEMO C[C@H](N)C[N@@H+](C)[C@@H]1C[C@@H](C)C[C@@H](C)C1 252140791 1169430895 /nfs/dbraw/zinc/43/08/95/1169430895.db2.gz NEXXKNXVBQJEHS-WHOHXGKFSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H]([NH3+])CN(C)[C@@H]1C[C@@H](C)C[C@@H](C)C1 252140791 1169430898 /nfs/dbraw/zinc/43/08/98/1169430898.db2.gz NEXXKNXVBQJEHS-WHOHXGKFSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H](N)C[N@@H+](C)C1C[C@H](C)C[C@@H](C)C1 252140790 1169430931 /nfs/dbraw/zinc/43/09/31/1169430931.db2.gz NEXXKNXVBQJEHS-MXWKQRLJSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H]([NH3+])CN(C)C1C[C@H](C)C[C@@H](C)C1 252140790 1169430935 /nfs/dbraw/zinc/43/09/35/1169430935.db2.gz NEXXKNXVBQJEHS-MXWKQRLJSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H](N)C[N@@H+](C)[C@@H]1CC[C@@H](C)[C@H](C)C1 251844474 1169430944 /nfs/dbraw/zinc/43/09/44/1169430944.db2.gz OLTVSJFALDLLKM-WISYIIOYSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H]([NH3+])CN(C)[C@@H]1CC[C@@H](C)[C@H](C)C1 251844474 1169430947 /nfs/dbraw/zinc/43/09/47/1169430947.db2.gz OLTVSJFALDLLKM-WISYIIOYSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCCC[C@H]1C(C)=O 251749156 1169431162 /nfs/dbraw/zinc/43/11/62/1169431162.db2.gz GUJLQODJBHKWHQ-KOLCDFICSA-N 1 1 183.295 2.228 10 0 AEAEMO C[C@@H]1CC[C@H]([N@@H+]2CCC(=O)C2)C[C@H]1C 251583965 1169431247 /nfs/dbraw/zinc/43/12/47/1169431247.db2.gz CBXYHDZNCAOLKS-MXWKQRLJSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@@H]1CC[C@H]([N@H+]2CCC(=O)C2)C[C@H]1C 251583965 1169431251 /nfs/dbraw/zinc/43/12/51/1169431251.db2.gz CBXYHDZNCAOLKS-MXWKQRLJSA-N 1 1 195.306 2.086 10 0 AEAEMO CC(C)CC[C@@H](C)[N@H+]1CCN[C@H](C)C1 251900072 1169431376 /nfs/dbraw/zinc/43/13/76/1169431376.db2.gz WIDVKBADOMUQRC-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)CC[C@@H](C)N1CC[NH2+][C@H](C)C1 251900072 1169431384 /nfs/dbraw/zinc/43/13/84/1169431384.db2.gz WIDVKBADOMUQRC-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1[C@H]1CCCNC1 251588088 1169431476 /nfs/dbraw/zinc/43/14/76/1169431476.db2.gz BGGZXTUQIFLNRY-RYUDHWBXSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@H]1CCCCCN1[C@H]1CCC[NH2+]C1 251588088 1169431482 /nfs/dbraw/zinc/43/14/82/1169431482.db2.gz BGGZXTUQIFLNRY-RYUDHWBXSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@@H]1CCC[N@H+]1C[C@H]1CCCC[C@H]1O 251602281 1169431797 /nfs/dbraw/zinc/43/17/97/1169431797.db2.gz BTOBINDPLYOIOZ-IJLUTSLNSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1CCC[N@H+]1C[C@H]1CCCC[C@@H]1O 251602285 1169431957 /nfs/dbraw/zinc/43/19/57/1169431957.db2.gz BTOBINDPLYOIOZ-UTUOFQBUSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1CCC[N@H+]1C[C@@H]1CCCC[C@H]1O 251602273 1169431996 /nfs/dbraw/zinc/43/19/96/1169431996.db2.gz BTOBINDPLYOIOZ-GRYCIOLGSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCC(=O)C[C@H]1C 251716309 1169432125 /nfs/dbraw/zinc/43/21/25/1169432125.db2.gz DOODVFRTMQGVOQ-VHSXEESVSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@@H]1CCC[N@@H+]1[C@H]1CC[C@@H](C)NC1 251678098 1169432181 /nfs/dbraw/zinc/43/21/81/1169432181.db2.gz HUCNPPMXWNSUGT-UTUOFQBUSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H](C)NC1 251678098 1169432185 /nfs/dbraw/zinc/43/21/85/1169432185.db2.gz HUCNPPMXWNSUGT-UTUOFQBUSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H](C)[N@H+]1CCCC[C@H]1C(C)=O 251749160 1169432273 /nfs/dbraw/zinc/43/22/73/1169432273.db2.gz GUJLQODJBHKWHQ-ONGXEEELSA-N 1 1 183.295 2.228 10 0 AEAEMO CC[C@@H]1CCC[N@@H+]1[C@H]1CC[C@H](C)NC1 251678095 1169432312 /nfs/dbraw/zinc/43/23/12/1169432312.db2.gz HUCNPPMXWNSUGT-TUAOUCFPSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@H]1CC[C@H](C)NC1 251678095 1169432318 /nfs/dbraw/zinc/43/23/18/1169432318.db2.gz HUCNPPMXWNSUGT-TUAOUCFPSA-N 1 1 196.338 2.001 10 0 AEAEMO CC(C)CCCN1CC[C@@H](C)[C@H]([NH3+])C1 251665080 1169432367 /nfs/dbraw/zinc/43/23/67/1169432367.db2.gz LBWWKKXLXAXNNX-VXGBXAGGSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1[C@H]1CCCNC1 251588083 1169432412 /nfs/dbraw/zinc/43/24/12/1169432412.db2.gz BGGZXTUQIFLNRY-NEPJUHHUSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@@H]1CCCCCN1[C@H]1CCC[NH2+]C1 251588083 1169432418 /nfs/dbraw/zinc/43/24/18/1169432418.db2.gz BGGZXTUQIFLNRY-NEPJUHHUSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CCCC[C@H]1C(C)=O 252461807 1169432983 /nfs/dbraw/zinc/43/29/83/1169432983.db2.gz WHVNUCCCBGASEY-PWSUYJOCSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCCC[C@H]1C(C)=O 252461806 1169433049 /nfs/dbraw/zinc/43/30/49/1169433049.db2.gz WHVNUCCCBGASEY-JQWIXIFHSA-N 1 1 197.322 2.476 10 0 AEAEMO C[C@H]1C[N@H+](C2CCCCC2)CC[C@H]1O 253286328 1169435783 /nfs/dbraw/zinc/43/57/83/1169435783.db2.gz OMUVFDUWEDUNPT-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCC(=O)[C@H](C)C1 253309995 1169436301 /nfs/dbraw/zinc/43/63/01/1169436301.db2.gz TXWXGQQZUBZVDN-GHMZBOCLSA-N 1 1 197.322 2.334 10 0 AEAEMO C[C@@H]1C[N@H+](C2CCCCC2)CC[C@H]1O 253286329 1169436948 /nfs/dbraw/zinc/43/69/48/1169436948.db2.gz OMUVFDUWEDUNPT-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1CC[C@H]([N@H+]2CCC(=O)C[C@H]2C)C1 253215957 1169437132 /nfs/dbraw/zinc/43/71/32/1169437132.db2.gz CRVVEIOZZIXWTK-MXWKQRLJSA-N 1 1 195.306 2.228 10 0 AEAEMO C[C@@H]1CC[C@@H]([N@H+]2CCC(=O)C[C@H]2C)C1 253215956 1169437562 /nfs/dbraw/zinc/43/75/62/1169437562.db2.gz CRVVEIOZZIXWTK-GMTAPVOTSA-N 1 1 195.306 2.228 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCC(=O)[C@H](C)C1 253309996 1169437796 /nfs/dbraw/zinc/43/77/96/1169437796.db2.gz TXWXGQQZUBZVDN-WDEREUQCSA-N 1 1 197.322 2.334 10 0 AEAEMO C[C@@H]1[C@H](CO)CC[N@H+]1C1CCCCC1 259450058 1169438722 /nfs/dbraw/zinc/43/87/22/1169438722.db2.gz PBVNMNLXPPDVGF-MNOVXSKESA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@@H+](CC1CCC(O)CC1)C1CCC1 258881806 1169439472 /nfs/dbraw/zinc/43/94/72/1169439472.db2.gz JBAAENYACPGODU-UHFFFAOYSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCC[N@H+]1CCC(=O)C(C)(C)C1 258942508 1169439935 /nfs/dbraw/zinc/43/99/35/1169439935.db2.gz YFQWOWCAWHSNNX-UHFFFAOYSA-N 1 1 183.295 2.088 10 0 AEAEMO C[NH+](C)Cc1cc(F)ccc1F 259227880 1169440240 /nfs/dbraw/zinc/44/02/40/1169440240.db2.gz BHYXDASJMZBTKQ-UHFFFAOYSA-N 1 1 171.190 2.026 10 0 AEAEMO C[N@@H+](CC1CCC(O)CC1)C(C)(C)C 259006550 1169440966 /nfs/dbraw/zinc/44/09/66/1169440966.db2.gz XAVSFFJIDBXYKQ-UHFFFAOYSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H]1CCC[C@@H]([N@H+]2CC[C@](C)(O)C2)C1 300014341 1169458637 /nfs/dbraw/zinc/45/86/37/1169458637.db2.gz BHTGINYOMOIPJP-UTUOFQBUSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1CCC[C@H]([N@H+]2CC[C@](C)(O)C2)C1 300014342 1169459111 /nfs/dbraw/zinc/45/91/11/1169459111.db2.gz BHTGINYOMOIPJP-WOPDTQHZSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCCC[C@H](C)[N@H+]1C[C@@H](N)[C@H](C)C1 300049604 1169459831 /nfs/dbraw/zinc/45/98/31/1169459831.db2.gz SXFIIXMTZULNHI-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCC[C@H](C)[N@@H+]1C[C@@H](N)[C@H](C)C1 300049604 1169459836 /nfs/dbraw/zinc/45/98/36/1169459836.db2.gz SXFIIXMTZULNHI-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCC[N@H+]1CC[C@H](C)[C@H](O)C1 299901157 1169459961 /nfs/dbraw/zinc/45/99/61/1169459961.db2.gz ATILOVDBWBMERZ-NWDGAFQWSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCNC[C@H]1CCC 300332740 1169460037 /nfs/dbraw/zinc/46/00/37/1169460037.db2.gz MHQYUBBYBHHQIV-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)CCC[N@H+]1CC[C@@H](C)[C@H](O)C1 299901159 1169460072 /nfs/dbraw/zinc/46/00/72/1169460072.db2.gz ATILOVDBWBMERZ-VXGBXAGGSA-N 1 1 199.338 2.125 10 0 AEAEMO CCCC[C@H](CC)[N@@H+]1C[C@@H](N)[C@H](C)C1 300050151 1169460123 /nfs/dbraw/zinc/46/01/23/1169460123.db2.gz XSFCOPRWKAVXOH-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@H]2C[C@H]21 306147855 1169463726 /nfs/dbraw/zinc/46/37/26/1169463726.db2.gz ALZLKZSTYHGDAR-LPEHRKFASA-N 1 1 153.269 2.269 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@@H]2C[C@@H]21 306147852 1169464267 /nfs/dbraw/zinc/46/42/67/1169464267.db2.gz ALZLKZSTYHGDAR-AEJSXWLSSA-N 1 1 153.269 2.269 10 0 AEAEMO C[N@@H+](Cc1ccoc1)[C@@H]1CCSC1 306154579 1169464869 /nfs/dbraw/zinc/46/48/69/1169464869.db2.gz JPYDPDBLCZAIEQ-SNVBAGLBSA-N 1 1 197.303 2.217 10 0 AEAEMO C[C@H]1CCCC[N@H+]1[C@H]1CCSC1 306231089 1169466936 /nfs/dbraw/zinc/46/69/36/1169466936.db2.gz JNDWRDCKHJSYAM-UWVGGRQHSA-N 1 1 185.336 2.366 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1[C@H]1CCSC1 306231094 1169467118 /nfs/dbraw/zinc/46/71/18/1169467118.db2.gz JNDWRDCKHJSYAM-ZJUUUORDSA-N 1 1 185.336 2.366 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1[C@@H]1CCSC1 306231086 1169467794 /nfs/dbraw/zinc/46/77/94/1169467794.db2.gz JNDWRDCKHJSYAM-NXEZZACHSA-N 1 1 185.336 2.366 10 0 AEAEMO C[C@H]1CCCC[N@H+]1[C@@H]1CCSC1 306231091 1169468119 /nfs/dbraw/zinc/46/81/19/1169468119.db2.gz JNDWRDCKHJSYAM-VHSXEESVSA-N 1 1 185.336 2.366 10 0 AEAEMO C[N@@H+](CC(C)(C)C)[C@H]1CCSC1 306259974 1169468801 /nfs/dbraw/zinc/46/88/01/1169468801.db2.gz JRYDWMUCTXQGSD-VIFPVBQESA-N 1 1 187.352 2.470 10 0 AEAEMO C[N@@H+](CC(C)(C)C)[C@@H]1CCSC1 306259972 1169469271 /nfs/dbraw/zinc/46/92/71/1169469271.db2.gz JRYDWMUCTXQGSD-SECBINFHSA-N 1 1 187.352 2.470 10 0 AEAEMO CC[C@H]1CCC[N@H+]1Cc1cc[nH]c1 306365675 1169473804 /nfs/dbraw/zinc/47/38/04/1169473804.db2.gz FDOZFJQQPDGSKM-NSHDSACASA-N 1 1 178.279 2.389 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@H](OC)C[C@@H]1C 306422611 1169478308 /nfs/dbraw/zinc/47/83/08/1169478308.db2.gz FOMHRJPUXYQWRB-DCAQKATOSA-N 1 1 185.311 2.284 10 0 AEAEMO C[C@@H]1CCC[N@H+]([C@@H]2CCSC2)C1 306421026 1169478956 /nfs/dbraw/zinc/47/89/56/1169478956.db2.gz GODGFQVEQMGYRZ-NXEZZACHSA-N 1 1 185.336 2.224 10 0 AEAEMO C[C@H]1CCC[N@H+]([C@H]2CCSC2)C1 306421027 1169478798 /nfs/dbraw/zinc/47/87/98/1169478798.db2.gz GODGFQVEQMGYRZ-UWVGGRQHSA-N 1 1 185.336 2.224 10 0 AEAEMO C[C@H]1CCC[N@H+]([C@@H]2CCSC2)C1 306421028 1169478840 /nfs/dbraw/zinc/47/88/40/1169478840.db2.gz GODGFQVEQMGYRZ-VHSXEESVSA-N 1 1 185.336 2.224 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@@H](OC)C[C@@H]1C 306422612 1169478869 /nfs/dbraw/zinc/47/88/69/1169478869.db2.gz FOMHRJPUXYQWRB-GARJFASQSA-N 1 1 185.311 2.284 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@H](OC)C[C@H]1C 306422610 1169479360 /nfs/dbraw/zinc/47/93/60/1169479360.db2.gz FOMHRJPUXYQWRB-AXFHLTTASA-N 1 1 185.311 2.284 10 0 AEAEMO C[C@@H]1CCC[N@H+]([C@H]2CCSC2)C1 306421029 1169479371 /nfs/dbraw/zinc/47/93/71/1169479371.db2.gz GODGFQVEQMGYRZ-ZJUUUORDSA-N 1 1 185.336 2.224 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@@H](OC)C[C@H]1C 306422613 1169479554 /nfs/dbraw/zinc/47/95/54/1169479554.db2.gz FOMHRJPUXYQWRB-HBNTYKKESA-N 1 1 185.311 2.284 10 0 AEAEMO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H]2C[C@@H]21 306477575 1169481883 /nfs/dbraw/zinc/48/18/83/1169481883.db2.gz ALMSCCUSGWRYQJ-DBIOUOCHSA-N 1 1 165.280 2.127 10 0 AEAEMO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H]2C[C@H]21 306477586 1169481955 /nfs/dbraw/zinc/48/19/55/1169481955.db2.gz ALMSCCUSGWRYQJ-LMLFDSFASA-N 1 1 165.280 2.127 10 0 AEAEMO CC1(C)CC[N@H+]([C@@H]2CCSC2)C1 306693908 1169486183 /nfs/dbraw/zinc/48/61/83/1169486183.db2.gz RVSHIJRMRJSQLX-SECBINFHSA-N 1 1 185.336 2.224 10 0 AEAEMO CC1(C)CC[N@H+]([C@H]2CCSC2)C1 306693909 1169486276 /nfs/dbraw/zinc/48/62/76/1169486276.db2.gz RVSHIJRMRJSQLX-VIFPVBQESA-N 1 1 185.336 2.224 10 0 AEAEMO Cc1cc2nc([C@@H](C)[NH3+])[nH]c2cc1F 306903359 1169490797 /nfs/dbraw/zinc/49/07/97/1169490797.db2.gz IWAOPELOIGVPFB-ZCFIWIBFSA-N 1 1 193.225 2.030 10 0 AEAEMO CC[N@@H+](C)[C@H](C)CC1CC1 306924092 1169493128 /nfs/dbraw/zinc/49/31/28/1169493128.db2.gz IEGJSVBRSRSTPP-MRVPVSSYSA-N 1 1 141.258 2.127 10 0 AEAEMO CC[N@@H+](C)[C@@H](C)CC1CC1 306924093 1169493621 /nfs/dbraw/zinc/49/36/21/1169493621.db2.gz IEGJSVBRSRSTPP-QMMMGPOBSA-N 1 1 141.258 2.127 10 0 AEAEMO CC(C)[N@@H+](C)Cc1ccc(F)nc1 306967772 1169494897 /nfs/dbraw/zinc/49/48/97/1169494897.db2.gz QETDTQSNRDLFHN-UHFFFAOYSA-N 1 1 182.242 2.061 10 0 AEAEMO CCC[C@H](C)[N@H+]1C[C@@H](O)CC[C@H]1C 306960989 1169496461 /nfs/dbraw/zinc/49/64/61/1169496461.db2.gz ZZCSOUVMSMBAGA-AXFHLTTASA-N 1 1 185.311 2.020 10 0 AEAEMO C[C@@H]1CC[C@@H](O)C[N@H+]1C1CCCCC1 306954382 1169496616 /nfs/dbraw/zinc/49/66/16/1169496616.db2.gz OBLMVHAVKUNUMD-ZYHUDNBSSA-N 1 1 197.322 2.164 10 0 AEAEMO C[C@@H]1CC[C@H](O)C[N@H+]1C1CCCCC1 306954381 1169496658 /nfs/dbraw/zinc/49/66/58/1169496658.db2.gz OBLMVHAVKUNUMD-PWSUYJOCSA-N 1 1 197.322 2.164 10 0 AEAEMO C[C@@H]1C[N@@H+](CC(C)(C)C)CCCO1 307063526 1169498781 /nfs/dbraw/zinc/49/87/81/1169498781.db2.gz PPFBOUYACQOICU-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO C[C@H]1C[N@@H+](CC(C)(C)C)CCCO1 307063525 1169499595 /nfs/dbraw/zinc/49/95/95/1169499595.db2.gz PPFBOUYACQOICU-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[N@@H+](C)C1CCSCC1 307169367 1169505393 /nfs/dbraw/zinc/50/53/93/1169505393.db2.gz XYQDRFYKVZQDBL-UHFFFAOYSA-N 1 1 173.325 2.224 10 0 AEAEMO CCC[N@@H+](C)C1C[C@@H](C)O[C@H](C)C1 307237338 1169509927 /nfs/dbraw/zinc/50/99/27/1169509927.db2.gz OGTKVUSFLSTCRN-NXEZZACHSA-N 1 1 185.311 2.284 10 0 AEAEMO CCC[N@@H+](C)C1C[C@H](C)O[C@@H](C)C1 307237339 1169510289 /nfs/dbraw/zinc/51/02/89/1169510289.db2.gz OGTKVUSFLSTCRN-UWVGGRQHSA-N 1 1 185.311 2.284 10 0 AEAEMO CCC[N@H+]1CCC(=O)[C@@H]2CCCC[C@H]21 307217244 1169510651 /nfs/dbraw/zinc/51/06/51/1169510651.db2.gz MPXYRTLWGMMJLO-GHMZBOCLSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC[N@H+]1CCC(=O)[C@H]2CCCC[C@H]21 307217245 1169511426 /nfs/dbraw/zinc/51/14/26/1169511426.db2.gz MPXYRTLWGMMJLO-WDEREUQCSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@@H]1[C@H](N)CC[N@H+]1C1CCCCCC1 307363499 1169516139 /nfs/dbraw/zinc/51/61/39/1169516139.db2.gz HPWIOWHWROYFBG-ZYHUDNBSSA-N 1 1 196.338 2.131 10 0 AEAEMO C[C@@H]1CCC[N@H+]1C1CCSCC1 307411588 1169519019 /nfs/dbraw/zinc/51/90/19/1169519019.db2.gz HKHBNCVWGWJSTO-SECBINFHSA-N 1 1 185.336 2.366 10 0 AEAEMO C[C@H]1CCC[N@H+]1C1CCSCC1 307411589 1169520717 /nfs/dbraw/zinc/52/07/17/1169520717.db2.gz HKHBNCVWGWJSTO-VIFPVBQESA-N 1 1 185.336 2.366 10 0 AEAEMO CC[N@@H+](C1CC1)[C@@H]1CCCSC1 307438068 1169521781 /nfs/dbraw/zinc/52/17/81/1169521781.db2.gz VDMRPVZCNVBLKJ-SNVBAGLBSA-N 1 1 185.336 2.366 10 0 AEAEMO CC[N@@H+](C1CC1)[C@H]1CCCSC1 307438067 1169521931 /nfs/dbraw/zinc/52/19/31/1169521931.db2.gz VDMRPVZCNVBLKJ-JTQLQIEISA-N 1 1 185.336 2.366 10 0 AEAEMO FC1C[NH+](C2CCCCCC2)C1 307483290 1169524285 /nfs/dbraw/zinc/52/42/85/1169524285.db2.gz HOAKOABTPFXYDU-UHFFFAOYSA-N 1 1 171.259 2.363 10 0 AEAEMO CCC(CC)[N@H+]1C[C@H](O)CC[C@H]1C 307475391 1169524357 /nfs/dbraw/zinc/52/43/57/1169524357.db2.gz YDCRYNXAFLOFNK-MWLCHTKSSA-N 1 1 185.311 2.020 10 0 AEAEMO CCC(CC)[N@H+]1C[C@@H](O)CC[C@H]1C 307475390 1169524565 /nfs/dbraw/zinc/52/45/65/1169524565.db2.gz YDCRYNXAFLOFNK-KOLCDFICSA-N 1 1 185.311 2.020 10 0 AEAEMO c1nc(C2CC2)sc1C[NH+]1CCC1 307508321 1169524862 /nfs/dbraw/zinc/52/48/62/1169524862.db2.gz AHANAYUNUWFNLF-UHFFFAOYSA-N 1 1 194.303 2.226 10 0 AEAEMO C[C@H]1C[C@@H](C)C[N@H+]([C@H]2CCSC2)C1 307543584 1169526260 /nfs/dbraw/zinc/52/62/60/1169526260.db2.gz UXMWKLRDWVJQNP-AXFHLTTASA-N 1 1 199.363 2.470 10 0 AEAEMO C[C@H]1C[C@@H](C)C[N@H+]([C@@H]2CCSC2)C1 307543587 1169526654 /nfs/dbraw/zinc/52/66/54/1169526654.db2.gz UXMWKLRDWVJQNP-OUAUKWLOSA-N 1 1 199.363 2.470 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@@H](O)C[C@@H]1C 307574727 1169527285 /nfs/dbraw/zinc/52/72/85/1169527285.db2.gz HMWYFUYKLLKVGC-GARJFASQSA-N 1 1 185.311 2.020 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@@H](O)C[C@H]1C 307574728 1169528063 /nfs/dbraw/zinc/52/80/63/1169528063.db2.gz HMWYFUYKLLKVGC-HBNTYKKESA-N 1 1 185.311 2.020 10 0 AEAEMO CC[N@@H+](C)Cc1cc(C)nc(Cl)c1 307578691 1169528183 /nfs/dbraw/zinc/52/81/83/1169528183.db2.gz OFSAQIDIMIQGLJ-UHFFFAOYSA-N 1 1 198.697 2.495 10 0 AEAEMO CC1CC([N@H+](C)Cc2nccs2)C1 307581501 1169528334 /nfs/dbraw/zinc/52/83/34/1169528334.db2.gz RJHYABAAEZSAKI-UHFFFAOYSA-N 1 1 196.319 2.373 10 0 AEAEMO CC1CC([N@@H+](C)Cc2nccs2)C1 307581501 1169528340 /nfs/dbraw/zinc/52/83/40/1169528340.db2.gz RJHYABAAEZSAKI-UHFFFAOYSA-N 1 1 196.319 2.373 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@H](O)C[C@H]1C 307574726 1169529012 /nfs/dbraw/zinc/52/90/12/1169529012.db2.gz HMWYFUYKLLKVGC-AXFHLTTASA-N 1 1 185.311 2.020 10 0 AEAEMO C[C@H](N)C[N@@H+](C)[C@@H]1CCCC(C)(C)C1 307607780 1169530781 /nfs/dbraw/zinc/53/07/81/1169530781.db2.gz FZNMSSYWAOGHOX-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]([NH3+])CN(C)[C@@H]1CCCC(C)(C)C1 307607780 1169530786 /nfs/dbraw/zinc/53/07/86/1169530786.db2.gz FZNMSSYWAOGHOX-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO C[N@@H+](C[C@H]1CCCC[C@@H]1O)C(C)(C)C 307600407 1169531588 /nfs/dbraw/zinc/53/15/88/1169531588.db2.gz RAHVLORFUVDYGO-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO C[N@@H+](C[C@H]1CCCC[C@H]1O)C(C)(C)C 307600406 1169532074 /nfs/dbraw/zinc/53/20/74/1169532074.db2.gz RAHVLORFUVDYGO-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO C[N@@H+](C[C@@H]1CCCC[C@H]1O)C(C)(C)C 307600409 1169532216 /nfs/dbraw/zinc/53/22/16/1169532216.db2.gz RAHVLORFUVDYGO-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO C[N@@H+](C[C@@H]1CCCC[C@@H]1O)C(C)(C)C 307600408 1169532270 /nfs/dbraw/zinc/53/22/70/1169532270.db2.gz RAHVLORFUVDYGO-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H](N)C[N@@H+](C)[C@H]1CCCC(C)(C)C1 307607778 1169532346 /nfs/dbraw/zinc/53/23/46/1169532346.db2.gz FZNMSSYWAOGHOX-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]([NH3+])CN(C)[C@H]1CCCC(C)(C)C1 307607778 1169532355 /nfs/dbraw/zinc/53/23/55/1169532355.db2.gz FZNMSSYWAOGHOX-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H](CC1CC1)[N@@H+](C)C1CC1 307645305 1169532952 /nfs/dbraw/zinc/53/29/52/1169532952.db2.gz YBCFZQBODFIYAR-MRVPVSSYSA-N 1 1 153.269 2.269 10 0 AEAEMO C[C@@H](CC1CC1)[N@@H+](C)C1CC1 307645306 1169533113 /nfs/dbraw/zinc/53/31/13/1169533113.db2.gz YBCFZQBODFIYAR-QMMMGPOBSA-N 1 1 153.269 2.269 10 0 AEAEMO CC(C)[N@@H+](C)Cc1ccc(F)cn1 307659786 1169535348 /nfs/dbraw/zinc/53/53/48/1169535348.db2.gz FJEVORCTAUVXDJ-UHFFFAOYSA-N 1 1 182.242 2.061 10 0 AEAEMO CCCC[N@H+]1CCC[C@]12CCOC2 307698131 1169537272 /nfs/dbraw/zinc/53/72/72/1169537272.db2.gz HLMUVKWPGVNULJ-LLVKDONJSA-N 1 1 183.295 2.041 10 0 AEAEMO CCCC[N@H+]1CCC[C@@]12CCOC2 307698132 1169537685 /nfs/dbraw/zinc/53/76/85/1169537685.db2.gz HLMUVKWPGVNULJ-NSHDSACASA-N 1 1 183.295 2.041 10 0 AEAEMO CCCC[N@H+]1CCC[C@@H]1CF 307715664 1169537957 /nfs/dbraw/zinc/53/79/57/1169537957.db2.gz ILWMBKVQIORQKY-SECBINFHSA-N 1 1 159.248 2.220 10 0 AEAEMO CO[C@@H](C)CNc1c(C)cc[nH+]c1C 307732788 1169538743 /nfs/dbraw/zinc/53/87/43/1169538743.db2.gz MFQMUWYVVKKNLB-VIFPVBQESA-N 1 1 194.278 2.145 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@H]1CC[C@H](O)CC1 307748260 1169541795 /nfs/dbraw/zinc/54/17/95/1169541795.db2.gz BDMWPMVODZORRN-DCAQKATOSA-N 1 1 185.311 2.020 10 0 AEAEMO C[N@@H+](C/C=C/Cl)CC1CCC1 307731086 1169540085 /nfs/dbraw/zinc/54/00/85/1169540085.db2.gz MCIYAGAVSZWOLY-ZZXKWVIFSA-N 1 1 173.687 2.471 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)[C@H]1CC[C@H](O)CC1 307748261 1169542086 /nfs/dbraw/zinc/54/20/86/1169542086.db2.gz BDMWPMVODZORRN-GMTAPVOTSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@@H]1CC[N@H+]([C@H]2CCSC2)C1 307743374 1169542117 /nfs/dbraw/zinc/54/21/17/1169542117.db2.gz LZMZCFPORQGKJL-ZJUUUORDSA-N 1 1 185.336 2.224 10 0 AEAEMO CC[C@H](C)[N@H+]1CCOCC12CCC2 307742573 1169542215 /nfs/dbraw/zinc/54/22/15/1169542215.db2.gz KTJBWUKLRIAPEL-JTQLQIEISA-N 1 1 183.295 2.040 10 0 AEAEMO CC[N@H+](C1CCSCC1)C1CC1 307752739 1169542400 /nfs/dbraw/zinc/54/24/00/1169542400.db2.gz SOHUXNJDVNWESI-UHFFFAOYSA-N 1 1 185.336 2.366 10 0 AEAEMO c1coc(C[N@H+]2CCC[C@H]3C[C@H]32)c1 307750919 1169543110 /nfs/dbraw/zinc/54/31/10/1169543110.db2.gz LTOLOQTUZXQZCF-GXSJLCMTSA-N 1 1 177.247 2.264 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCOCC12CCC2 307742574 1169543263 /nfs/dbraw/zinc/54/32/63/1169543263.db2.gz KTJBWUKLRIAPEL-SNVBAGLBSA-N 1 1 183.295 2.040 10 0 AEAEMO CC[C@@H]1CC[N@H+]([C@@H]2CCSC2)C1 307743369 1169543349 /nfs/dbraw/zinc/54/33/49/1169543349.db2.gz LZMZCFPORQGKJL-NXEZZACHSA-N 1 1 185.336 2.224 10 0 AEAEMO COC1CCC([N@@H+](C)C2CC2)CC1 307754647 1169543894 /nfs/dbraw/zinc/54/38/94/1169543894.db2.gz ZXZMKEPOBJDXRO-UHFFFAOYSA-N 1 1 183.295 2.038 10 0 AEAEMO CCCC[C@H](C)[N@@H+](C)C(C)(C)CN 308183025 1169545617 /nfs/dbraw/zinc/54/56/17/1169545617.db2.gz DPBPKQZKOYXLIJ-JTQLQIEISA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[C@@H](C)[N@@H+](C)C(C)(C)CN 308183026 1169545696 /nfs/dbraw/zinc/54/56/96/1169545696.db2.gz DPBPKQZKOYXLIJ-SNVBAGLBSA-N 1 1 186.343 2.234 10 0 AEAEMO CCCCC[N@@H+](C)C1CCOCC1 308241205 1169546657 /nfs/dbraw/zinc/54/66/57/1169546657.db2.gz STQJPFXDRANXRU-UHFFFAOYSA-N 1 1 185.311 2.287 10 0 AEAEMO CCCCC[C@@H](C)[N@H+]1CC[C@@H](O)C1 308231297 1169547324 /nfs/dbraw/zinc/54/73/24/1169547324.db2.gz SXXNROFIPMYFGN-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO CCCCC[C@H](C)[N@H+]1CC[C@@H](O)C1 308231298 1169547798 /nfs/dbraw/zinc/54/77/98/1169547798.db2.gz SXXNROFIPMYFGN-WDEREUQCSA-N 1 1 185.311 2.022 10 0 AEAEMO CC(C)=CCC[C@H](C)[N@@H+](C)CCO 308271610 1169548308 /nfs/dbraw/zinc/54/83/08/1169548308.db2.gz SENKFSSTAUVOIK-NSHDSACASA-N 1 1 185.311 2.045 10 0 AEAEMO CC(C)=CCC[C@@H](C)[N@@H+](C)CCO 308271608 1169548393 /nfs/dbraw/zinc/54/83/93/1169548393.db2.gz SENKFSSTAUVOIK-LLVKDONJSA-N 1 1 185.311 2.045 10 0 AEAEMO CCCC[C@@H](C)[N@@H+](C)CCN(C)C 308452958 1169550341 /nfs/dbraw/zinc/55/03/41/1169550341.db2.gz FBPSNJYPFOBBFV-LLVKDONJSA-N 1 1 186.343 2.059 10 0 AEAEMO CC[C@H]1CC[C@@H]([N@@H+](C)CCOC)C1 308444774 1169550536 /nfs/dbraw/zinc/55/05/36/1169550536.db2.gz AVMXAYYOEPPGSJ-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[N@@H+](CC1CCC(O)CC1)C1CC1 308582083 1169551688 /nfs/dbraw/zinc/55/16/88/1169551688.db2.gz PTUMJNXOJBTSGF-UHFFFAOYSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H](C)[C@@H](C)[N@@H+](C)CCCCO 319326731 1169554747 /nfs/dbraw/zinc/55/47/47/1169554747.db2.gz JFGWWJKHYATECL-GHMZBOCLSA-N 1 1 187.327 2.125 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@@H+](C)CCCCO 319326736 1169556860 /nfs/dbraw/zinc/55/68/60/1169556860.db2.gz JFGWWJKHYATECL-QWRGUYRKSA-N 1 1 187.327 2.125 10 0 AEAEMO CC[C@H](C)[C@@H](C)[N@@H+](C)CCCCO 319326739 1169557134 /nfs/dbraw/zinc/55/71/34/1169557134.db2.gz JFGWWJKHYATECL-WDEREUQCSA-N 1 1 187.327 2.125 10 0 AEAEMO CC[C@@H](C)[C@H](C)[N@@H+](C)CCCCO 319326734 1169557244 /nfs/dbraw/zinc/55/72/44/1169557244.db2.gz JFGWWJKHYATECL-MNOVXSKESA-N 1 1 187.327 2.125 10 0 AEAEMO COCCC[N@H+]1CC[C@H](C)C[C@@H]1C 378781429 1169561403 /nfs/dbraw/zinc/56/14/03/1169561403.db2.gz JSXKDFMBROHEJA-QWRGUYRKSA-N 1 1 185.311 2.143 10 0 AEAEMO CSCCC[N@H+]1CCC[C@@H]2C[C@@H]21 378677115 1169562768 /nfs/dbraw/zinc/56/27/68/1169562768.db2.gz QLYDEDCQJBBNCA-ZJUUUORDSA-N 1 1 185.336 2.224 10 0 AEAEMO CC(C)CC[N@H+]1CCC[C@@H]1CF 378854510 1169563561 /nfs/dbraw/zinc/56/35/61/1169563561.db2.gz IZWKWBMMMGFULC-SNVBAGLBSA-N 1 1 173.275 2.466 10 0 AEAEMO C[N@@H+](C/C=C\Cl)CC1CCC1 379225678 1169566717 /nfs/dbraw/zinc/56/67/17/1169566717.db2.gz MCIYAGAVSZWOLY-UTCJRWHESA-N 1 1 173.687 2.471 10 0 AEAEMO CC[C@H](C)[N@@H+](C)Cc1ccc[nH]1 379314041 1169567690 /nfs/dbraw/zinc/56/76/90/1169567690.db2.gz KVVDINKYCOPHSM-VIFPVBQESA-N 1 1 166.268 2.245 10 0 AEAEMO CC(C)SCC[NH2+][C@H](C)C(F)F 379316037 1169568181 /nfs/dbraw/zinc/56/81/81/1169568181.db2.gz WJCZWWRLVVERKP-SSDOTTSWSA-N 1 1 197.294 2.371 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)Cc1ccc[nH]1 379314040 1169569072 /nfs/dbraw/zinc/56/90/72/1169569072.db2.gz KVVDINKYCOPHSM-SECBINFHSA-N 1 1 166.268 2.245 10 0 AEAEMO CC(C)SCC[NH2+][C@@H](C)C(F)F 379316038 1169569431 /nfs/dbraw/zinc/56/94/31/1169569431.db2.gz WJCZWWRLVVERKP-ZETCQYMHSA-N 1 1 197.294 2.371 10 0 AEAEMO CCCCC[C@@H](C)[N@@H+](C)C[C@H](C)N 379347573 1169573276 /nfs/dbraw/zinc/57/32/76/1169573276.db2.gz AKOFVGUUCHLUOL-WDEREUQCSA-N 1 1 186.343 2.234 10 0 AEAEMO CCCCC[C@@H](C)N(C)C[C@H](C)[NH3+] 379347573 1169573281 /nfs/dbraw/zinc/57/32/81/1169573281.db2.gz AKOFVGUUCHLUOL-WDEREUQCSA-N 1 1 186.343 2.234 10 0 AEAEMO CCCCC[C@H](C)[N@@H+](C)C[C@H](C)N 379347572 1169573496 /nfs/dbraw/zinc/57/34/96/1169573496.db2.gz AKOFVGUUCHLUOL-QWRGUYRKSA-N 1 1 186.343 2.234 10 0 AEAEMO CCCCC[C@H](C)N(C)C[C@H](C)[NH3+] 379347572 1169573501 /nfs/dbraw/zinc/57/35/01/1169573501.db2.gz AKOFVGUUCHLUOL-QWRGUYRKSA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[N@@H+](C)CC1(CC)COC1 379365096 1169575031 /nfs/dbraw/zinc/57/50/31/1169575031.db2.gz OFYRPUMYMULHMQ-UHFFFAOYSA-N 1 1 185.311 2.145 10 0 AEAEMO C[N@@H+](CCF)CCc1ccccc1 379389104 1169580516 /nfs/dbraw/zinc/58/05/16/1169580516.db2.gz KWFJNVQKCLQNAE-UHFFFAOYSA-N 1 1 181.254 2.130 10 0 AEAEMO CC[C@@H]1CC[N@@H+](C[C@H](C)OC)[C@@H]1C 379409652 1169581830 /nfs/dbraw/zinc/58/18/30/1169581830.db2.gz DIWLWKOLAOQPRZ-HBNTYKKESA-N 1 1 185.311 2.142 10 0 AEAEMO CC[C@@H]1CC[N@@H+](C[C@@H](C)OC)[C@@H]1C 379409651 1169582117 /nfs/dbraw/zinc/58/21/17/1169582117.db2.gz DIWLWKOLAOQPRZ-GMTAPVOTSA-N 1 1 185.311 2.142 10 0 AEAEMO C[N@@H+](CCC1CC1)Cc1cc[nH]c1 379412499 1169582214 /nfs/dbraw/zinc/58/22/14/1169582214.db2.gz KJTWZALLKWWKLT-UHFFFAOYSA-N 1 1 178.279 2.247 10 0 AEAEMO CC[C@@H]1CC[N@@H+](C[C@@H](C)OC)[C@H]1C 379409653 1169583401 /nfs/dbraw/zinc/58/34/01/1169583401.db2.gz DIWLWKOLAOQPRZ-OUAUKWLOSA-N 1 1 185.311 2.142 10 0 AEAEMO CC[N@@H+](CC1(CC)COC1)C(C)C 379406408 1169583592 /nfs/dbraw/zinc/58/35/92/1169583592.db2.gz WFWGKWBYOIWLKS-UHFFFAOYSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@@H]1CC[N@@H+](C[C@H](C)OC)[C@H]1C 379409650 1169583863 /nfs/dbraw/zinc/58/38/63/1169583863.db2.gz DIWLWKOLAOQPRZ-GARJFASQSA-N 1 1 185.311 2.142 10 0 AEAEMO CCC(CC)[N@@H+](C)Cc1ccon1 379414617 1169585216 /nfs/dbraw/zinc/58/52/16/1169585216.db2.gz OIHJVOJXJHGGRZ-UHFFFAOYSA-N 1 1 182.267 2.295 10 0 AEAEMO CCCC[NH2+][C@H](CC)c1noc(C)n1 379537715 1169585621 /nfs/dbraw/zinc/58/56/21/1169585621.db2.gz MONZCJQBQHZEIN-SECBINFHSA-N 1 1 197.282 2.219 10 0 AEAEMO CCCCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H]1C 379501207 1169585751 /nfs/dbraw/zinc/58/57/51/1169585751.db2.gz JIVBOSOXEJJNQO-QJPTWQEYSA-N 1 1 198.354 2.377 10 0 AEAEMO CCCCC[C@H](C)[N@@H+]1CC[C@@H](N)[C@H]1C 379501207 1169585756 /nfs/dbraw/zinc/58/57/56/1169585756.db2.gz JIVBOSOXEJJNQO-QJPTWQEYSA-N 1 1 198.354 2.377 10 0 AEAEMO CCCCC[C@H](C)[N@H+]1CC[C@@H](N)[C@H]1C 379501207 1169585760 /nfs/dbraw/zinc/58/57/60/1169585760.db2.gz JIVBOSOXEJJNQO-QJPTWQEYSA-N 1 1 198.354 2.377 10 0 AEAEMO CC(C)CC[C@H](C)[N@@H+]1CC[C@@H](N)[C@H]1C 379542766 1169587026 /nfs/dbraw/zinc/58/70/26/1169587026.db2.gz RSMGGDJQAJMODD-QJPTWQEYSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)CC[C@H](C)[N@H+]1CC[C@@H](N)[C@H]1C 379542766 1169587030 /nfs/dbraw/zinc/58/70/30/1169587030.db2.gz RSMGGDJQAJMODD-QJPTWQEYSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@@H](O)C[N@H+]1C[C@H](CC)CC[C@@H]1C 379533192 1169587479 /nfs/dbraw/zinc/58/74/79/1169587479.db2.gz KAQULTCXIXPLBO-QJPTWQEYSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCC[NH2+][C@@H](CC)c1noc(C)n1 379537716 1169587798 /nfs/dbraw/zinc/58/77/98/1169587798.db2.gz MONZCJQBQHZEIN-VIFPVBQESA-N 1 1 197.282 2.219 10 0 AEAEMO CC(C)(C)CC[N@H+]1CC[C@](C)(CO)C1 381474581 1169596050 /nfs/dbraw/zinc/59/60/50/1169596050.db2.gz MAGITAOHUWNUPL-LBPRGKRZSA-N 1 1 199.338 2.127 10 0 AEAEMO CCCCCCN1CCC[C@@H]([NH3+])[C@H]1C 381563048 1169596540 /nfs/dbraw/zinc/59/65/40/1169596540.db2.gz IHCBJMDLAHGCOB-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCC[N@@H+]1CCC[C@@H](N)[C@H]1C 381563048 1169596547 /nfs/dbraw/zinc/59/65/47/1169596547.db2.gz IHCBJMDLAHGCOB-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCC[N@H+]1CCC[C@@H](N)[C@H]1C 381563048 1169596555 /nfs/dbraw/zinc/59/65/55/1169596555.db2.gz IHCBJMDLAHGCOB-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CC[C@](C)(CO)C1 381519892 1169596593 /nfs/dbraw/zinc/59/65/93/1169596593.db2.gz XDAATKBSWNTXMS-NEPJUHHUSA-N 1 1 199.338 2.127 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CC[C@@](C)(CO)C1 381519900 1169596812 /nfs/dbraw/zinc/59/68/12/1169596812.db2.gz XDAATKBSWNTXMS-VXGBXAGGSA-N 1 1 199.338 2.127 10 0 AEAEMO CCCCCCN1CCC[C@@H]([NH3+])[C@@H]1C 381709320 1169596868 /nfs/dbraw/zinc/59/68/68/1169596868.db2.gz IHCBJMDLAHGCOB-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCC[N@@H+]1CCC[C@@H](N)[C@@H]1C 381709320 1169596876 /nfs/dbraw/zinc/59/68/76/1169596876.db2.gz IHCBJMDLAHGCOB-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCC[N@H+]1CCC[C@@H](N)[C@@H]1C 381709320 1169596884 /nfs/dbraw/zinc/59/68/84/1169596884.db2.gz IHCBJMDLAHGCOB-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCC[C@@H](N)[C@H]1C 381634722 1169596908 /nfs/dbraw/zinc/59/69/08/1169596908.db2.gz WAGYWUFQJJSCIR-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)CN1CCC[C@@H]([NH3+])[C@H]1C 381634722 1169596918 /nfs/dbraw/zinc/59/69/18/1169596918.db2.gz WAGYWUFQJJSCIR-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCCC[N@H+]1CC[C@@](C)(CO)C1 381481070 1169597172 /nfs/dbraw/zinc/59/71/72/1169597172.db2.gz NSLXAWHEKACHPL-GFCCVEGCSA-N 1 1 199.338 2.271 10 0 AEAEMO CCC(CC)C[N@H+]1CCC[C@@H](N)[C@H]1C 381650057 1169597197 /nfs/dbraw/zinc/59/71/97/1169597197.db2.gz YLQSZMHBFDEGDH-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)CN1CCC[C@@H]([NH3+])[C@H]1C 381650057 1169597206 /nfs/dbraw/zinc/59/72/06/1169597206.db2.gz YLQSZMHBFDEGDH-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCCCN1CCC[C@H]([NH3+])[C@H]1C 381709317 1169597315 /nfs/dbraw/zinc/59/73/15/1169597315.db2.gz IHCBJMDLAHGCOB-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCC[N@@H+]1CCC[C@H](N)[C@H]1C 381709317 1169597319 /nfs/dbraw/zinc/59/73/19/1169597319.db2.gz IHCBJMDLAHGCOB-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCC[N@H+]1CCC[C@H](N)[C@H]1C 381709317 1169597326 /nfs/dbraw/zinc/59/73/26/1169597326.db2.gz IHCBJMDLAHGCOB-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@@](C)(CO)C1 381519895 1169597336 /nfs/dbraw/zinc/59/73/36/1169597336.db2.gz XDAATKBSWNTXMS-NWDGAFQWSA-N 1 1 199.338 2.127 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCC[C@H](N)[C@@H]1C 381817126 1169597447 /nfs/dbraw/zinc/59/74/47/1169597447.db2.gz WAGYWUFQJJSCIR-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)CN1CCC[C@H]([NH3+])[C@@H]1C 381817126 1169597454 /nfs/dbraw/zinc/59/74/54/1169597454.db2.gz WAGYWUFQJJSCIR-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCC[N@H+]1CC[C@](C)(CO)C1 381477480 1169597603 /nfs/dbraw/zinc/59/76/03/1169597603.db2.gz MZJALAMVGQXOLN-LBPRGKRZSA-N 1 1 199.338 2.127 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCC[C@@H](N)[C@@H]1C 381817125 1169597882 /nfs/dbraw/zinc/59/78/82/1169597882.db2.gz WAGYWUFQJJSCIR-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)CN1CCC[C@@H]([NH3+])[C@@H]1C 381817125 1169597891 /nfs/dbraw/zinc/59/78/91/1169597891.db2.gz WAGYWUFQJJSCIR-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCCCN1CCC[C@H]([NH3+])[C@@H]1C 381709324 1169598142 /nfs/dbraw/zinc/59/81/42/1169598142.db2.gz IHCBJMDLAHGCOB-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCC[N@@H+]1CCC[C@H](N)[C@@H]1C 381709324 1169598149 /nfs/dbraw/zinc/59/81/49/1169598149.db2.gz IHCBJMDLAHGCOB-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCC[N@H+]1CCC[C@H](N)[C@@H]1C 381709324 1169598158 /nfs/dbraw/zinc/59/81/58/1169598158.db2.gz IHCBJMDLAHGCOB-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CC(C)CCCN1CCC[C@@H]([NH3+])[C@H]1C 381622129 1169598185 /nfs/dbraw/zinc/59/81/85/1169598185.db2.gz SHRSUAYJDWEDFS-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCC[N@@H+]1CCC[C@@H](N)[C@H]1C 381622129 1169598194 /nfs/dbraw/zinc/59/81/94/1169598194.db2.gz SHRSUAYJDWEDFS-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCC[N@H+]1CCC[C@@H](N)[C@H]1C 381622129 1169598196 /nfs/dbraw/zinc/59/81/96/1169598196.db2.gz SHRSUAYJDWEDFS-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)(C)CC[N@H+]1CC[C@@](C)(CO)C1 381474580 1169598450 /nfs/dbraw/zinc/59/84/50/1169598450.db2.gz MAGITAOHUWNUPL-GFCCVEGCSA-N 1 1 199.338 2.127 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@](C)(CO)C1 381519897 1169598463 /nfs/dbraw/zinc/59/84/63/1169598463.db2.gz XDAATKBSWNTXMS-RYUDHWBXSA-N 1 1 199.338 2.127 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCC[C@H](N)[C@H]1C 381817127 1169598642 /nfs/dbraw/zinc/59/86/42/1169598642.db2.gz WAGYWUFQJJSCIR-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)CN1CCC[C@H]([NH3+])[C@H]1C 381817127 1169598647 /nfs/dbraw/zinc/59/86/47/1169598647.db2.gz WAGYWUFQJJSCIR-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCCC[N@H+]1CC[C@](C)(CO)C1 381481071 1169598795 /nfs/dbraw/zinc/59/87/95/1169598795.db2.gz NSLXAWHEKACHPL-LBPRGKRZSA-N 1 1 199.338 2.271 10 0 AEAEMO CC(C)CCC[N@H+]1CC[C@@](C)(CO)C1 381477479 1169599185 /nfs/dbraw/zinc/59/91/85/1169599185.db2.gz MZJALAMVGQXOLN-GFCCVEGCSA-N 1 1 199.338 2.127 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCC[C@@H]1CF 382335288 1169602449 /nfs/dbraw/zinc/60/24/49/1169602449.db2.gz XWVOLJJLLGVFII-VHSXEESVSA-N 1 1 173.275 2.466 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CCC[C@@H]1CF 382335284 1169602762 /nfs/dbraw/zinc/60/27/62/1169602762.db2.gz XWVOLJJLLGVFII-NXEZZACHSA-N 1 1 173.275 2.466 10 0 AEAEMO CSCCC[N@H+]1CCC[C@@H]1CF 382336146 1169603027 /nfs/dbraw/zinc/60/30/27/1169603027.db2.gz YFNNQBHQGOMUSO-SECBINFHSA-N 1 1 191.315 2.173 10 0 AEAEMO FC[C@H]1CCC[N@H+]1CCC1CC1 382397100 1169603217 /nfs/dbraw/zinc/60/32/17/1169603217.db2.gz OKGSTHDURDYFGO-SNVBAGLBSA-N 1 1 171.259 2.220 10 0 AEAEMO CC(C)CCC[N@H+]1CCCNC[C@@H]1C 382759181 1169604350 /nfs/dbraw/zinc/60/43/50/1169604350.db2.gz WMBXOKNPAVUIGM-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)CCCN1CCC[NH2+]C[C@@H]1C 382759181 1169604357 /nfs/dbraw/zinc/60/43/57/1169604357.db2.gz WMBXOKNPAVUIGM-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCN[C@H](C)CC1 382761346 1169604967 /nfs/dbraw/zinc/60/49/67/1169604967.db2.gz YDFQIVVSOYOPIB-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](C)CN1CC[NH2+][C@H](C)CC1 382761346 1169604972 /nfs/dbraw/zinc/60/49/72/1169604972.db2.gz YDFQIVVSOYOPIB-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCN[C@@H](C)CC1 382761207 1169605048 /nfs/dbraw/zinc/60/50/48/1169605048.db2.gz YDFQIVVSOYOPIB-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](C)CN1CC[NH2+][C@@H](C)CC1 382761207 1169605055 /nfs/dbraw/zinc/60/50/55/1169605055.db2.gz YDFQIVVSOYOPIB-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCN[C@H](C)CC1 382761344 1169605428 /nfs/dbraw/zinc/60/54/28/1169605428.db2.gz YDFQIVVSOYOPIB-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)CN1CC[NH2+][C@H](C)CC1 382761344 1169605434 /nfs/dbraw/zinc/60/54/34/1169605434.db2.gz YDFQIVVSOYOPIB-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCCNC[C@@H]1C 382752147 1169605616 /nfs/dbraw/zinc/60/56/16/1169605616.db2.gz IDRKESCRGXTHOR-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)CN1CCC[NH2+]C[C@@H]1C 382752147 1169605622 /nfs/dbraw/zinc/60/56/22/1169605622.db2.gz IDRKESCRGXTHOR-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCCNC[C@@H]1C 382752145 1169605792 /nfs/dbraw/zinc/60/57/92/1169605792.db2.gz IDRKESCRGXTHOR-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](C)CN1CCC[NH2+]C[C@@H]1C 382752145 1169605797 /nfs/dbraw/zinc/60/57/97/1169605797.db2.gz IDRKESCRGXTHOR-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCN[C@@H](C)CC1 382761345 1169605837 /nfs/dbraw/zinc/60/58/37/1169605837.db2.gz YDFQIVVSOYOPIB-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)CN1CC[NH2+][C@@H](C)CC1 382761345 1169605840 /nfs/dbraw/zinc/60/58/40/1169605840.db2.gz YDFQIVVSOYOPIB-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC(CC)C[N@H+]1CCCNC[C@@H]1C 382748784 1169606598 /nfs/dbraw/zinc/60/65/98/1169606598.db2.gz CCJHXSMXYNQYNG-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCCC[N@H+]1CCC[C@H](O)[C@@H]1C 384881858 1169608679 /nfs/dbraw/zinc/60/86/79/1169608679.db2.gz IQFGXIKMLGPZCB-RYUDHWBXSA-N 1 1 199.338 2.412 10 0 AEAEMO CC(C)CCC[N@H+]1CC[C@@H](CO)[C@@H]1C 385708328 1169609909 /nfs/dbraw/zinc/60/99/09/1169609909.db2.gz QPEQLDGLVLLXKC-RYUDHWBXSA-N 1 1 199.338 2.125 10 0 AEAEMO CCCCCC[N@H+]1CC[C@H](CO)[C@H]1C 385591390 1169610242 /nfs/dbraw/zinc/61/02/42/1169610242.db2.gz BDAOVJNPFNZMSR-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CCCCCC[N@H+]1CC[C@@H](CO)[C@H]1C 385591387 1169610258 /nfs/dbraw/zinc/61/02/58/1169610258.db2.gz BDAOVJNPFNZMSR-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)CCC[N@H+]1CC[C@H](CO)[C@H]1C 385708329 1169610561 /nfs/dbraw/zinc/61/05/61/1169610561.db2.gz QPEQLDGLVLLXKC-VXGBXAGGSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)CCC[N@H+]1CC[C@H](CO)[C@@H]1C 385708327 1169611095 /nfs/dbraw/zinc/61/10/95/1169611095.db2.gz QPEQLDGLVLLXKC-NWDGAFQWSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)CCC[N@H+]1CC[C@@H](CO)[C@H]1C 385708325 1169611581 /nfs/dbraw/zinc/61/15/81/1169611581.db2.gz QPEQLDGLVLLXKC-NEPJUHHUSA-N 1 1 199.338 2.125 10 0 AEAEMO CCCCCC[N@H+]1CC[C@H](CO)[C@@H]1C 385591388 1169611694 /nfs/dbraw/zinc/61/16/94/1169611694.db2.gz BDAOVJNPFNZMSR-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@@H](CO)[C@H]1C 385640148 1169611718 /nfs/dbraw/zinc/61/17/18/1169611718.db2.gz JURZUMOWTOJXQT-TUAOUCFPSA-N 1 1 199.338 2.125 10 0 AEAEMO CCCCCC[N@H+]1CC[C@@H](CO)[C@@H]1C 385591389 1169611922 /nfs/dbraw/zinc/61/19/22/1169611922.db2.gz BDAOVJNPFNZMSR-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CCCC[N@@H+](C)[C@@H]1CCO[C@@H](C)C1 388319841 1169621707 /nfs/dbraw/zinc/62/17/07/1169621707.db2.gz WPICNDOSRDDTMX-WDEREUQCSA-N 1 1 185.311 2.286 10 0 AEAEMO CCCC[N@@H+](C)[C@H]1CCO[C@@H](C)C1 388319839 1169623295 /nfs/dbraw/zinc/62/32/95/1169623295.db2.gz WPICNDOSRDDTMX-QWRGUYRKSA-N 1 1 185.311 2.286 10 0 AEAEMO CCCC[N@@H+](C)[C@H]1CCO[C@H](C)C1 388319837 1169623307 /nfs/dbraw/zinc/62/33/07/1169623307.db2.gz WPICNDOSRDDTMX-MNOVXSKESA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@@H](C)[N@@H+](CCOC)C(C)C 388467114 1169626359 /nfs/dbraw/zinc/62/63/59/1169626359.db2.gz KAOJGIKEGCDCNF-SNVBAGLBSA-N 1 1 173.300 2.142 10 0 AEAEMO CC[C@H](C)[N@@H+](CCOC)C(C)C 388467112 1169628105 /nfs/dbraw/zinc/62/81/05/1169628105.db2.gz KAOJGIKEGCDCNF-JTQLQIEISA-N 1 1 173.300 2.142 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCC[C@H]1COC 388624131 1169629825 /nfs/dbraw/zinc/62/98/25/1169629825.db2.gz GKSYUDITDLHGGD-QWRGUYRKSA-N 1 1 185.311 2.286 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCC[C@H]1COC 388624130 1169630183 /nfs/dbraw/zinc/63/01/83/1169630183.db2.gz GKSYUDITDLHGGD-MNOVXSKESA-N 1 1 185.311 2.286 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCC[C@@H]1COC 388624132 1169630438 /nfs/dbraw/zinc/63/04/38/1169630438.db2.gz GKSYUDITDLHGGD-WDEREUQCSA-N 1 1 185.311 2.286 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCC[C@@H]1COC 388624129 1169630461 /nfs/dbraw/zinc/63/04/61/1169630461.db2.gz GKSYUDITDLHGGD-GHMZBOCLSA-N 1 1 185.311 2.286 10 0 AEAEMO CCCC(CCC)[N@H+]1CC[C@@H](O)C1 388669374 1169632139 /nfs/dbraw/zinc/63/21/39/1169632139.db2.gz XKSMRSUQZONWCR-LLVKDONJSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCOC[C@H]1CC 388783409 1169632725 /nfs/dbraw/zinc/63/27/25/1169632725.db2.gz KCCYDIKPLXHEMP-GHMZBOCLSA-N 1 1 185.311 2.286 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCOC[C@@H]1CC 388783411 1169633452 /nfs/dbraw/zinc/63/34/52/1169633452.db2.gz KCCYDIKPLXHEMP-QWRGUYRKSA-N 1 1 185.311 2.286 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCOC[C@@H]1CC 388783410 1169633511 /nfs/dbraw/zinc/63/35/11/1169633511.db2.gz KCCYDIKPLXHEMP-MNOVXSKESA-N 1 1 185.311 2.286 10 0 AEAEMO CCCC[C@H](C)[N@H+]1CC[C@@H](OC)C1 388771252 1169634080 /nfs/dbraw/zinc/63/40/80/1169634080.db2.gz GUSRMZIOWASICR-WDEREUQCSA-N 1 1 185.311 2.286 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCOC[C@H]1CC 388783412 1169634291 /nfs/dbraw/zinc/63/42/91/1169634291.db2.gz KCCYDIKPLXHEMP-WDEREUQCSA-N 1 1 185.311 2.286 10 0 AEAEMO CCCC[C@@H](C)[N@H+]1CC[C@@H](OC)C1 388771249 1169634535 /nfs/dbraw/zinc/63/45/35/1169634535.db2.gz GUSRMZIOWASICR-GHMZBOCLSA-N 1 1 185.311 2.286 10 0 AEAEMO CSCCC[N@H+]1CCC[C@H]2C[C@H]21 393329972 1169643500 /nfs/dbraw/zinc/64/35/00/1169643500.db2.gz QLYDEDCQJBBNCA-VHSXEESVSA-N 1 1 185.336 2.224 10 0 AEAEMO CCC(CC)[N@H+](C)CC(F)F 393584571 1169643202 /nfs/dbraw/zinc/64/32/02/1169643202.db2.gz ILNNXJRXTQYKGN-UHFFFAOYSA-N 1 1 165.227 2.372 10 0 AEAEMO CCC(CC)[N@@H+](C)CC(F)F 393584571 1169643207 /nfs/dbraw/zinc/64/32/07/1169643207.db2.gz ILNNXJRXTQYKGN-UHFFFAOYSA-N 1 1 165.227 2.372 10 0 AEAEMO CCCC[C@H](C)N1C[C@@H](C)[NH2+][C@H](C)C1 394608375 1169648966 /nfs/dbraw/zinc/64/89/66/1169648966.db2.gz GVNWPOCZEVNYCN-UTUOFQBUSA-N 1 1 198.354 2.247 10 0 AEAEMO C[C@H](N)C[N@H+](C)CC1(C)CCCCC1 394550591 1169648993 /nfs/dbraw/zinc/64/89/93/1169648993.db2.gz AZGYAMLKFLMKFS-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@H](N)C[N@@H+](C)CC1(C)CCCCC1 394550591 1169648996 /nfs/dbraw/zinc/64/89/96/1169648996.db2.gz AZGYAMLKFLMKFS-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[C@H](C)N1CCC[C@@H]1C[NH2+]C 394651165 1169649022 /nfs/dbraw/zinc/64/90/22/1169649022.db2.gz ZBPLWODPRINCFY-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@@H](C)N1CCC[C@@H]1C[NH2+]C 394651170 1169649119 /nfs/dbraw/zinc/64/91/19/1169649119.db2.gz ZBPLWODPRINCFY-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)C[N@H+]1CCC[C@H](N)[C@@H]1C 394638874 1169649526 /nfs/dbraw/zinc/64/95/26/1169649526.db2.gz YLQSZMHBFDEGDH-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)CN1CCC[C@H]([NH3+])[C@@H]1C 394638874 1169649533 /nfs/dbraw/zinc/64/95/33/1169649533.db2.gz YLQSZMHBFDEGDH-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCCN1CCC[C@H]([NH3+])[C@H]1C 394626684 1169649653 /nfs/dbraw/zinc/64/96/53/1169649653.db2.gz SHRSUAYJDWEDFS-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCC[N@@H+]1CCC[C@H](N)[C@H]1C 394626684 1169649658 /nfs/dbraw/zinc/64/96/58/1169649658.db2.gz SHRSUAYJDWEDFS-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCC[N@H+]1CCC[C@H](N)[C@H]1C 394626684 1169649661 /nfs/dbraw/zinc/64/96/61/1169649661.db2.gz SHRSUAYJDWEDFS-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@H](C)[N@H+]1CCCC[C@@H]1CN 394631515 1169649727 /nfs/dbraw/zinc/64/97/27/1169649727.db2.gz QGYWBSSBSIBZTO-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC(CC)C[N@H+]1CCC[C@H](N)[C@H]1C 394638877 1169649893 /nfs/dbraw/zinc/64/98/93/1169649893.db2.gz YLQSZMHBFDEGDH-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)CN1CCC[C@H]([NH3+])[C@H]1C 394638877 1169649902 /nfs/dbraw/zinc/64/99/02/1169649902.db2.gz YLQSZMHBFDEGDH-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@@H](C)[N@H+]1C[C@H](C)N[C@H](C)C1 394608368 1169649970 /nfs/dbraw/zinc/64/99/70/1169649970.db2.gz GVNWPOCZEVNYCN-GRYCIOLGSA-N 1 1 198.354 2.247 10 0 AEAEMO CCCC[C@@H](C)N1C[C@H](C)[NH2+][C@H](C)C1 394608368 1169649976 /nfs/dbraw/zinc/64/99/76/1169649976.db2.gz GVNWPOCZEVNYCN-GRYCIOLGSA-N 1 1 198.354 2.247 10 0 AEAEMO CCCC[C@@H](C)[N@H+]1CCCC[C@@H]1CN 394631517 1169650056 /nfs/dbraw/zinc/65/00/56/1169650056.db2.gz QGYWBSSBSIBZTO-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@H](C)[N@H+]1CCCC[C@H]1CN 394631516 1169650156 /nfs/dbraw/zinc/65/01/56/1169650156.db2.gz QGYWBSSBSIBZTO-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@H](C)N1C[C@H](C)[NH2+][C@@H](C)C1 394608371 1169650403 /nfs/dbraw/zinc/65/04/03/1169650403.db2.gz GVNWPOCZEVNYCN-SRVKXCTJSA-N 1 1 198.354 2.247 10 0 AEAEMO CCCC[C@@H](C)[N@H+]1CCCC[C@H]1CN 394631514 1169650602 /nfs/dbraw/zinc/65/06/02/1169650602.db2.gz QGYWBSSBSIBZTO-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](N)C1 394635873 1169650758 /nfs/dbraw/zinc/65/07/58/1169650758.db2.gz SKVXHLNTCGYCGP-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@H](C)N1CC[C@@H](C)[C@@H]([NH3+])C1 394635873 1169650763 /nfs/dbraw/zinc/65/07/63/1169650763.db2.gz SKVXHLNTCGYCGP-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCCN1CCC[C@@H]([NH3+])[C@@H]1C 394626685 1169650820 /nfs/dbraw/zinc/65/08/20/1169650820.db2.gz SHRSUAYJDWEDFS-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCC[N@@H+]1CCC[C@@H](N)[C@@H]1C 394626685 1169650823 /nfs/dbraw/zinc/65/08/23/1169650823.db2.gz SHRSUAYJDWEDFS-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCC[N@H+]1CCC[C@@H](N)[C@@H]1C 394626685 1169650827 /nfs/dbraw/zinc/65/08/27/1169650827.db2.gz SHRSUAYJDWEDFS-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@H](C)[N@H+]1CCNCC1(C)C 394601436 1169650852 /nfs/dbraw/zinc/65/08/52/1169650852.db2.gz DCVSUVTWWXBEFM-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@H](C)N1CC[NH2+]CC1(C)C 394601436 1169650856 /nfs/dbraw/zinc/65/08/56/1169650856.db2.gz DCVSUVTWWXBEFM-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)C[N@H+]1CC[C@](C)(CO)C1 394633965 1169651005 /nfs/dbraw/zinc/65/10/05/1169651005.db2.gz WMSWJYCJMZAUKH-LBPRGKRZSA-N 1 1 199.338 2.127 10 0 AEAEMO CC(C)CCCN1CCC[C@H]([NH3+])[C@@H]1C 394626686 1169651019 /nfs/dbraw/zinc/65/10/19/1169651019.db2.gz SHRSUAYJDWEDFS-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCC[N@@H+]1CCC[C@H](N)[C@@H]1C 394626686 1169651021 /nfs/dbraw/zinc/65/10/21/1169651021.db2.gz SHRSUAYJDWEDFS-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCC[N@H+]1CCC[C@H](N)[C@@H]1C 394626686 1169651023 /nfs/dbraw/zinc/65/10/23/1169651023.db2.gz SHRSUAYJDWEDFS-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@H](C)[N@H+]1C[C@H](C)N[C@H](C)C1 394608373 1169651040 /nfs/dbraw/zinc/65/10/40/1169651040.db2.gz GVNWPOCZEVNYCN-TUAOUCFPSA-N 1 1 198.354 2.247 10 0 AEAEMO CCCC[C@H](C)N1C[C@H](C)[NH2+][C@H](C)C1 394608373 1169651041 /nfs/dbraw/zinc/65/10/41/1169651041.db2.gz GVNWPOCZEVNYCN-TUAOUCFPSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(CC)C[N@H+]1CCC[C@@H](N)[C@@H]1C 394638873 1169651171 /nfs/dbraw/zinc/65/11/71/1169651171.db2.gz YLQSZMHBFDEGDH-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)CN1CCC[C@@H]([NH3+])[C@@H]1C 394638873 1169651174 /nfs/dbraw/zinc/65/11/74/1169651174.db2.gz YLQSZMHBFDEGDH-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)C[N@H+]1CC[C@@](C)(CO)C1 394633963 1169651240 /nfs/dbraw/zinc/65/12/40/1169651240.db2.gz WMSWJYCJMZAUKH-GFCCVEGCSA-N 1 1 199.338 2.127 10 0 AEAEMO CCCC[C@@H](C)[N@H+]1CCNCC1(C)C 394601433 1169651295 /nfs/dbraw/zinc/65/12/95/1169651295.db2.gz DCVSUVTWWXBEFM-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@@H](C)N1CC[NH2+]CC1(C)C 394601433 1169651297 /nfs/dbraw/zinc/65/12/97/1169651297.db2.gz DCVSUVTWWXBEFM-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO C[N@@H+](CCC1(O)CCC1)CC1CCC1 396926331 1169657993 /nfs/dbraw/zinc/65/79/93/1169657993.db2.gz VCQRDOLVKDAGKI-UHFFFAOYSA-N 1 1 197.322 2.023 10 0 AEAEMO CCC[C@H]1CCC[N@H+]1CCCCCO 397067307 1169658136 /nfs/dbraw/zinc/65/81/36/1169658136.db2.gz AIPGHDDRJKVZQG-LBPRGKRZSA-N 1 1 199.338 2.414 10 0 AEAEMO CCC[C@@H]1CCC[N@H+]1CCC[C@H](C)O 397072762 1169658318 /nfs/dbraw/zinc/65/83/18/1169658318.db2.gz JMBKHFUQMJMWBF-NWDGAFQWSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC[C@@H]1CCC[N@H+]1CC[C@H](C)O 397083171 1169658353 /nfs/dbraw/zinc/65/83/53/1169658353.db2.gz UKYJVYQQMQSYPR-WDEREUQCSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[C@H]1CCC[N@H+]1CC[C@@H](C)O 397083169 1169658502 /nfs/dbraw/zinc/65/85/02/1169658502.db2.gz UKYJVYQQMQSYPR-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[C@@H](O)C[N@H+]1CCC[C@H]1CCC 396838870 1169658611 /nfs/dbraw/zinc/65/86/11/1169658611.db2.gz LMSJTDWZGJJFBS-VXGBXAGGSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC[C@H]1CCC[N@H+]1C[C@@H](O)CC 397079211 1169658660 /nfs/dbraw/zinc/65/86/60/1169658660.db2.gz QJRLFAMADGBSJN-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[C@H]1CCC[N@H+]1C[C@@H](O)C1CC1 396857323 1169658807 /nfs/dbraw/zinc/65/88/07/1169658807.db2.gz YTKKIOAPZYGKPI-NWDGAFQWSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[C@H](O)C[N@H+]1CCC[C@H]1CCC 396838867 1169658862 /nfs/dbraw/zinc/65/88/62/1169658862.db2.gz LMSJTDWZGJJFBS-NEPJUHHUSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC[C@H]1CCC[N@H+]1C[C@@H](O)C(C)C 397083213 1169659062 /nfs/dbraw/zinc/65/90/62/1169659062.db2.gz UPYSABFVUWSVEF-NWDGAFQWSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H]1CCC[N@H+]1C[C@H](O)CC 397079284 1169659370 /nfs/dbraw/zinc/65/93/70/1169659370.db2.gz QJRLFAMADGBSJN-WDEREUQCSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[C@@H]1CCC[N@H+]1C[C@H](O)C(C)C 397083212 1169659391 /nfs/dbraw/zinc/65/93/91/1169659391.db2.gz UPYSABFVUWSVEF-NEPJUHHUSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@@H]1CCC[N@H+]1CCC[C@@H](C)O 397072764 1169659462 /nfs/dbraw/zinc/65/94/62/1169659462.db2.gz JMBKHFUQMJMWBF-VXGBXAGGSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC[C@H]1CCC[N@H+]1CCC[C@@H](C)O 397072761 1169659568 /nfs/dbraw/zinc/65/95/68/1169659568.db2.gz JMBKHFUQMJMWBF-NEPJUHHUSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC[C@H]1CCC[N@H+]1CCC[C@H](C)O 397072763 1169659668 /nfs/dbraw/zinc/65/96/68/1169659668.db2.gz JMBKHFUQMJMWBF-RYUDHWBXSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC[C@@H]1CCC[N@H+]1CC[C@@H](C)O 397083168 1169660057 /nfs/dbraw/zinc/66/00/57/1169660057.db2.gz UKYJVYQQMQSYPR-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[C@H]1CCC[N@H+]1CC[C@H](C)O 397083170 1169660129 /nfs/dbraw/zinc/66/01/29/1169660129.db2.gz UKYJVYQQMQSYPR-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[C@H]1CCC[N@@H+]1C[C@H](O)CCC 396838868 1169660146 /nfs/dbraw/zinc/66/01/46/1169660146.db2.gz LMSJTDWZGJJFBS-NWDGAFQWSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC[C@@H]1CCC[N@H+]1C[C@@H](O)CC 397079209 1169660295 /nfs/dbraw/zinc/66/02/95/1169660295.db2.gz QJRLFAMADGBSJN-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[C@H]1CCC[N@H+]1C[C@H](O)C1CC1 396857325 1169660353 /nfs/dbraw/zinc/66/03/53/1169660353.db2.gz YTKKIOAPZYGKPI-RYUDHWBXSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[C@@H]1CCC[N@H+]1CCCCCO 397067306 1169660385 /nfs/dbraw/zinc/66/03/85/1169660385.db2.gz AIPGHDDRJKVZQG-GFCCVEGCSA-N 1 1 199.338 2.414 10 0 AEAEMO CCC[C@H]1CCC[N@H+]1C[C@H](O)C(C)C 397083214 1169660398 /nfs/dbraw/zinc/66/03/98/1169660398.db2.gz UPYSABFVUWSVEF-RYUDHWBXSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@@H]1CCC[N@H+]1C[C@H](O)CC 397079206 1169660450 /nfs/dbraw/zinc/66/04/50/1169660450.db2.gz QJRLFAMADGBSJN-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[C@H]1CCC[N@H+]1CCC(C)(C)O 397069071 1169660872 /nfs/dbraw/zinc/66/08/72/1169660872.db2.gz DFEXUWRXLDZINZ-NSHDSACASA-N 1 1 199.338 2.412 10 0 AEAEMO CCC[C@@H]1CCC[N@H+]1C[C@H](O)C1CC1 396857320 1169661024 /nfs/dbraw/zinc/66/10/24/1169661024.db2.gz YTKKIOAPZYGKPI-NEPJUHHUSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[C@@H]1CCC[N@H+]1C[C@@H](O)C1CC1 396857327 1169661039 /nfs/dbraw/zinc/66/10/39/1169661039.db2.gz YTKKIOAPZYGKPI-VXGBXAGGSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[C@@H]1CCC[N@H+]1CCC(C)(C)O 397069069 1169661074 /nfs/dbraw/zinc/66/10/74/1169661074.db2.gz DFEXUWRXLDZINZ-LLVKDONJSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC[C@H](O)C[N@H+]1CCC[C@@H]1CCC 396838869 1169661364 /nfs/dbraw/zinc/66/13/64/1169661364.db2.gz LMSJTDWZGJJFBS-RYUDHWBXSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC[C@@H]1CCC[N@H+]1C[C@@H](O)C(C)C 397083215 1169661754 /nfs/dbraw/zinc/66/17/54/1169661754.db2.gz UPYSABFVUWSVEF-VXGBXAGGSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCCCC[N@H+]1C[C@H](O)CC[C@H]1C 399257048 1169672274 /nfs/dbraw/zinc/67/22/74/1169672274.db2.gz MOLWPKSUBBJDEQ-VXGBXAGGSA-N 1 1 199.338 2.412 10 0 AEAEMO CC[C@H]([NH3+])C[N@@H+](C)CCC(C)(C)C 399768572 1169674016 /nfs/dbraw/zinc/67/40/16/1169674016.db2.gz YGQGXLHSSKWINU-JTQLQIEISA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@H]([NH3+])CN(C)CCC(C)(C)C 399768572 1169674028 /nfs/dbraw/zinc/67/40/28/1169674028.db2.gz YGQGXLHSSKWINU-JTQLQIEISA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@H](N)C[N@H+](C)CCC(C)(C)C 399768572 1169674040 /nfs/dbraw/zinc/67/40/40/1169674040.db2.gz YGQGXLHSSKWINU-JTQLQIEISA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@H](N)C[N@@H+](C)CCC(C)(C)C 399768572 1169674047 /nfs/dbraw/zinc/67/40/47/1169674047.db2.gz YGQGXLHSSKWINU-JTQLQIEISA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@H](N)C[N@@H+](C)C[C@@H]1CC=CCC1 402846632 1169679081 /nfs/dbraw/zinc/67/90/81/1169679081.db2.gz UUNVUTTYTDSNPX-NEPJUHHUSA-N 1 1 196.338 2.012 10 0 AEAEMO CC[C@H]([NH3+])CN(C)C[C@@H]1CC=CCC1 402846632 1169679085 /nfs/dbraw/zinc/67/90/85/1169679085.db2.gz UUNVUTTYTDSNPX-NEPJUHHUSA-N 1 1 196.338 2.012 10 0 AEAEMO CC[C@H](N)C[N@@H+](C)C[C@H]1CC=CCC1 402846635 1169679149 /nfs/dbraw/zinc/67/91/49/1169679149.db2.gz UUNVUTTYTDSNPX-RYUDHWBXSA-N 1 1 196.338 2.012 10 0 AEAEMO CC[C@H]([NH3+])CN(C)C[C@H]1CC=CCC1 402846635 1169679152 /nfs/dbraw/zinc/67/91/52/1169679152.db2.gz UUNVUTTYTDSNPX-RYUDHWBXSA-N 1 1 196.338 2.012 10 0 AEAEMO CCCCC[C@@H](C)[N@H+]1CC[C@](C)(N)C1 405786596 1169685231 /nfs/dbraw/zinc/68/52/31/1169685231.db2.gz JLWMRIOQRNMVAD-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@H](CC)[N@H+]1CC[C@@](C)([NH3+])C1 405815165 1169684722 /nfs/dbraw/zinc/68/47/22/1169684722.db2.gz VAZOUAPVRSKMDQ-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@H](CC)[N@@H+]1CC[C@@](C)(N)C1 405815165 1169684727 /nfs/dbraw/zinc/68/47/27/1169684727.db2.gz VAZOUAPVRSKMDQ-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@H](CC)[N@H+]1CC[C@@](C)(N)C1 405815165 1169684738 /nfs/dbraw/zinc/68/47/38/1169684738.db2.gz VAZOUAPVRSKMDQ-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CC(C)CC[C@@H](C)[N@H+]1CC[C@](C)([NH3+])C1 405805288 1169684782 /nfs/dbraw/zinc/68/47/82/1169684782.db2.gz RCXNTLXGXOGBRG-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CC[C@@H](C)[N@@H+]1CC[C@](C)(N)C1 405805288 1169684790 /nfs/dbraw/zinc/68/47/90/1169684790.db2.gz RCXNTLXGXOGBRG-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CC[C@@H](C)[N@H+]1CC[C@](C)(N)C1 405805288 1169684795 /nfs/dbraw/zinc/68/47/95/1169684795.db2.gz RCXNTLXGXOGBRG-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CC[C@@H](C)N1CC[C@](C)([NH3+])C1 405805288 1169684802 /nfs/dbraw/zinc/68/48/02/1169684802.db2.gz RCXNTLXGXOGBRG-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CC[C@H](C)[N@H+]1CC[C@](C)([NH3+])C1 405805292 1169684866 /nfs/dbraw/zinc/68/48/66/1169684866.db2.gz RCXNTLXGXOGBRG-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CC[C@H](C)[N@@H+]1CC[C@](C)(N)C1 405805292 1169684877 /nfs/dbraw/zinc/68/48/77/1169684877.db2.gz RCXNTLXGXOGBRG-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CC[C@H](C)[N@H+]1CC[C@](C)(N)C1 405805292 1169684884 /nfs/dbraw/zinc/68/48/84/1169684884.db2.gz RCXNTLXGXOGBRG-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CC[C@H](C)N1CC[C@](C)([NH3+])C1 405805292 1169684889 /nfs/dbraw/zinc/68/48/89/1169684889.db2.gz RCXNTLXGXOGBRG-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC(CCC)[N@H+]1CC[C@@](C)(N)C1 405824975 1169685019 /nfs/dbraw/zinc/68/50/19/1169685019.db2.gz YXYFHLSYWTWYLQ-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@@H](C)[N@H+]1CC[C@](C)([NH3+])C1 405786596 1169685225 /nfs/dbraw/zinc/68/52/25/1169685225.db2.gz JLWMRIOQRNMVAD-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@@H](C)[N@@H+]1CC[C@](C)(N)C1 405786596 1169685229 /nfs/dbraw/zinc/68/52/29/1169685229.db2.gz JLWMRIOQRNMVAD-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@@H](C)N1CC[C@](C)([NH3+])C1 405786596 1169685234 /nfs/dbraw/zinc/68/52/34/1169685234.db2.gz JLWMRIOQRNMVAD-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CC(C)CC[C@@H](C)[N@H+]1CC[C@@](C)([NH3+])C1 405805295 1169685406 /nfs/dbraw/zinc/68/54/06/1169685406.db2.gz RCXNTLXGXOGBRG-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CC[C@@H](C)[N@@H+]1CC[C@@](C)(N)C1 405805295 1169685412 /nfs/dbraw/zinc/68/54/12/1169685412.db2.gz RCXNTLXGXOGBRG-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CC[C@@H](C)[N@H+]1CC[C@@](C)(N)C1 405805295 1169685417 /nfs/dbraw/zinc/68/54/17/1169685417.db2.gz RCXNTLXGXOGBRG-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CC[C@@H](C)N1CC[C@@](C)([NH3+])C1 405805295 1169685421 /nfs/dbraw/zinc/68/54/21/1169685421.db2.gz RCXNTLXGXOGBRG-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@H](CC)[N@H+]1CC[C@](C)([NH3+])C1 405815166 1169685745 /nfs/dbraw/zinc/68/57/45/1169685745.db2.gz VAZOUAPVRSKMDQ-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@H](CC)[N@@H+]1CC[C@](C)(N)C1 405815166 1169685750 /nfs/dbraw/zinc/68/57/50/1169685750.db2.gz VAZOUAPVRSKMDQ-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@H](CC)[N@H+]1CC[C@](C)(N)C1 405815166 1169685754 /nfs/dbraw/zinc/68/57/54/1169685754.db2.gz VAZOUAPVRSKMDQ-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@@H](C)[N@H+]1CC[C@@](C)([NH3+])C1 405786604 1169685809 /nfs/dbraw/zinc/68/58/09/1169685809.db2.gz JLWMRIOQRNMVAD-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@@H](C)[N@@H+]1CC[C@@](C)(N)C1 405786604 1169685813 /nfs/dbraw/zinc/68/58/13/1169685813.db2.gz JLWMRIOQRNMVAD-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@@H](C)[N@H+]1CC[C@@](C)(N)C1 405786604 1169685819 /nfs/dbraw/zinc/68/58/19/1169685819.db2.gz JLWMRIOQRNMVAD-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@@H](C)N1CC[C@@](C)([NH3+])C1 405786604 1169685820 /nfs/dbraw/zinc/68/58/20/1169685820.db2.gz JLWMRIOQRNMVAD-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO C[C@H]1[C@@H](O)CCC[N@H+]1CCCC1CC1 405983888 1169685958 /nfs/dbraw/zinc/68/59/58/1169685958.db2.gz DHXXYDRSYQVTLB-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCCC[C@H](C)[N@H+]1CC[C@](C)([NH3+])C1 405786601 1169686014 /nfs/dbraw/zinc/68/60/14/1169686014.db2.gz JLWMRIOQRNMVAD-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@H](C)[N@@H+]1CC[C@](C)(N)C1 405786601 1169686021 /nfs/dbraw/zinc/68/60/21/1169686021.db2.gz JLWMRIOQRNMVAD-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@H](C)[N@H+]1CC[C@](C)(N)C1 405786601 1169686024 /nfs/dbraw/zinc/68/60/24/1169686024.db2.gz JLWMRIOQRNMVAD-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@H](C)N1CC[C@](C)([NH3+])C1 405786601 1169686029 /nfs/dbraw/zinc/68/60/29/1169686029.db2.gz JLWMRIOQRNMVAD-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@H](CC)[N@H+]1CC[C@@](C)([NH3+])C1 405815168 1169686195 /nfs/dbraw/zinc/68/61/95/1169686195.db2.gz VAZOUAPVRSKMDQ-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@H](CC)[N@@H+]1CC[C@@](C)(N)C1 405815168 1169686201 /nfs/dbraw/zinc/68/62/01/1169686201.db2.gz VAZOUAPVRSKMDQ-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@H](CC)[N@H+]1CC[C@@](C)(N)C1 405815168 1169686205 /nfs/dbraw/zinc/68/62/05/1169686205.db2.gz VAZOUAPVRSKMDQ-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@H](C)[N@H+]1CC[C@@](C)([NH3+])C1 405786598 1169686341 /nfs/dbraw/zinc/68/63/41/1169686341.db2.gz JLWMRIOQRNMVAD-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@H](C)[N@@H+]1CC[C@@](C)(N)C1 405786598 1169686346 /nfs/dbraw/zinc/68/63/46/1169686346.db2.gz JLWMRIOQRNMVAD-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@H](C)[N@H+]1CC[C@@](C)(N)C1 405786598 1169686353 /nfs/dbraw/zinc/68/63/53/1169686353.db2.gz JLWMRIOQRNMVAD-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@H](C)N1CC[C@@](C)([NH3+])C1 405786598 1169686358 /nfs/dbraw/zinc/68/63/58/1169686358.db2.gz JLWMRIOQRNMVAD-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@H](CC)[N@H+]1CC[C@](C)([NH3+])C1 405815163 1169686988 /nfs/dbraw/zinc/68/69/88/1169686988.db2.gz VAZOUAPVRSKMDQ-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@H](CC)[N@@H+]1CC[C@](C)(N)C1 405815163 1169686991 /nfs/dbraw/zinc/68/69/91/1169686991.db2.gz VAZOUAPVRSKMDQ-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@H](CC)[N@H+]1CC[C@](C)(N)C1 405815163 1169686998 /nfs/dbraw/zinc/68/69/98/1169686998.db2.gz VAZOUAPVRSKMDQ-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CC(C)CC[C@H](C)[N@H+]1CC[C@@](C)([NH3+])C1 405805289 1169687008 /nfs/dbraw/zinc/68/70/08/1169687008.db2.gz RCXNTLXGXOGBRG-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CC[C@H](C)[N@@H+]1CC[C@@](C)(N)C1 405805289 1169687014 /nfs/dbraw/zinc/68/70/14/1169687014.db2.gz RCXNTLXGXOGBRG-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CC[C@H](C)[N@H+]1CC[C@@](C)(N)C1 405805289 1169687017 /nfs/dbraw/zinc/68/70/17/1169687017.db2.gz RCXNTLXGXOGBRG-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CC[C@H](C)N1CC[C@@](C)([NH3+])C1 405805289 1169687023 /nfs/dbraw/zinc/68/70/23/1169687023.db2.gz RCXNTLXGXOGBRG-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC(CCC)[N@H+]1CC[C@](C)(N)C1 405824976 1169687083 /nfs/dbraw/zinc/68/70/83/1169687083.db2.gz YXYFHLSYWTWYLQ-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO C[C@@H]1CC[N@H+]1Cc1cc(F)ccc1N 606269268 1169693252 /nfs/dbraw/zinc/69/32/52/1169693252.db2.gz XZERVTUZAQHEJK-MRVPVSSYSA-N 1 1 194.253 2.002 10 0 AEAEMO C[C@@H]1CC[N@H+]1Cc1c(N)cccc1F 606269026 1169693379 /nfs/dbraw/zinc/69/33/79/1169693379.db2.gz OICLUCGWONCACT-MRVPVSSYSA-N 1 1 194.253 2.002 10 0 AEAEMO C[C@H]1CC[N@H+]1Cc1c(N)cccc1F 606269027 1169693536 /nfs/dbraw/zinc/69/35/36/1169693536.db2.gz OICLUCGWONCACT-QMMMGPOBSA-N 1 1 194.253 2.002 10 0 AEAEMO C[C@H]1CC[N@H+]1Cc1cc(F)ccc1N 606269269 1169693763 /nfs/dbraw/zinc/69/37/63/1169693763.db2.gz XZERVTUZAQHEJK-QMMMGPOBSA-N 1 1 194.253 2.002 10 0 AEAEMO CCC(CC)[N@H+]1CC[C@H](O)C[C@@H]1C 642825585 1169696733 /nfs/dbraw/zinc/69/67/33/1169696733.db2.gz VOSCKWUHJYCADY-ONGXEEELSA-N 1 1 185.311 2.020 10 0 AEAEMO CCC(CC)[N@H+]1CC[C@H](O)C[C@H]1C 642825583 1169696805 /nfs/dbraw/zinc/69/68/05/1169696805.db2.gz VOSCKWUHJYCADY-KOLCDFICSA-N 1 1 185.311 2.020 10 0 AEAEMO CCC(CC)[N@H+]1CC[C@@H](O)C[C@@H]1C 642825582 1169697615 /nfs/dbraw/zinc/69/76/15/1169697615.db2.gz VOSCKWUHJYCADY-GXSJLCMTSA-N 1 1 185.311 2.020 10 0 AEAEMO C[C@@H]1C[C@@H](O)CC[N@H+]1CCC(C)(C)C 705302072 1169706716 /nfs/dbraw/zinc/70/67/16/1169706716.db2.gz CJDADZNWNYRJHX-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@@H](O)C[C@H]1C 705284758 1169707024 /nfs/dbraw/zinc/70/70/24/1169707024.db2.gz GJHKKMNLEXLQFA-QJPTWQEYSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H]1C[C@H](O)CC[N@H+]1CCC(C)(C)C 705302073 1169707412 /nfs/dbraw/zinc/70/74/12/1169707412.db2.gz CJDADZNWNYRJHX-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@H](O)C[C@@H]1C 705284760 1169707472 /nfs/dbraw/zinc/70/74/72/1169707472.db2.gz GJHKKMNLEXLQFA-SRVKXCTJSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@H](O)C[C@H]1C 705284761 1169707521 /nfs/dbraw/zinc/70/75/21/1169707521.db2.gz GJHKKMNLEXLQFA-TUAOUCFPSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC(CC)C[N@H+]1CC[C@H](O)C[C@H]1C 705306270 1169707622 /nfs/dbraw/zinc/70/76/22/1169707622.db2.gz SWZFIIHCNVLSPX-PWSUYJOCSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H]1C[C@H](O)CC[N@H+]1CC1CCCC1 705279762 1169707704 /nfs/dbraw/zinc/70/77/04/1169707704.db2.gz YRRUKQDXCRSYJB-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1C[C@@H](O)CC[N@H+]1CC1CCCC1 705279764 1169707747 /nfs/dbraw/zinc/70/77/47/1169707747.db2.gz YRRUKQDXCRSYJB-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1C[C@H](O)CC[N@H+]1C1CCCCC1 705285244 1169708002 /nfs/dbraw/zinc/70/80/02/1169708002.db2.gz NRFRNCTVVJAHCE-ZYHUDNBSSA-N 1 1 197.322 2.164 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CC[C@@H](O)C[C@H]1C 705315310 1169708020 /nfs/dbraw/zinc/70/80/20/1169708020.db2.gz GJHKKMNLEXLQFA-IJLUTSLNSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCCCC[N@H+]1CC[C@H](O)C[C@H]1C 705284694 1169708149 /nfs/dbraw/zinc/70/81/49/1169708149.db2.gz FBIMUTZLPBTLPE-NEPJUHHUSA-N 1 1 199.338 2.412 10 0 AEAEMO CCCCCC[N@H+]1CC[C@H](O)C[C@@H]1C 705284696 1169708171 /nfs/dbraw/zinc/70/81/71/1169708171.db2.gz FBIMUTZLPBTLPE-RYUDHWBXSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC(CC)C[N@H+]1CC[C@H](O)C[C@@H]1C 705306268 1169708380 /nfs/dbraw/zinc/70/83/80/1169708380.db2.gz SWZFIIHCNVLSPX-JQWIXIFHSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)CCC[N@H+]1CC[C@@H](O)C[C@@H]1C 705301964 1169708720 /nfs/dbraw/zinc/70/87/20/1169708720.db2.gz AVNDXIJDZDUWII-NWDGAFQWSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H]1C[C@@H](O)CC[N@H+]1C1CCCCC1 705285243 1169708780 /nfs/dbraw/zinc/70/87/80/1169708780.db2.gz NRFRNCTVVJAHCE-PWSUYJOCSA-N 1 1 197.322 2.164 10 0 AEAEMO CCC(CC)C[N@H+]1CC[C@@H](O)C[C@@H]1C 705306266 1169708864 /nfs/dbraw/zinc/70/88/64/1169708864.db2.gz SWZFIIHCNVLSPX-CMPLNLGQSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H]1C[C@@H](O)CC[N@H+]1C1CCCCC1 705285242 1169709142 /nfs/dbraw/zinc/70/91/42/1169709142.db2.gz NRFRNCTVVJAHCE-JQWIXIFHSA-N 1 1 197.322 2.164 10 0 AEAEMO CCCCCC[N@H+]1CC[C@@H](O)C[C@@H]1C 705284695 1169709250 /nfs/dbraw/zinc/70/92/50/1169709250.db2.gz FBIMUTZLPBTLPE-NWDGAFQWSA-N 1 1 199.338 2.412 10 0 AEAEMO CC(C)CCC[N@H+]1CC[C@H](O)C[C@@H]1C 705301966 1169709293 /nfs/dbraw/zinc/70/92/93/1169709293.db2.gz AVNDXIJDZDUWII-RYUDHWBXSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)CCC[N@H+]1CC[C@H](O)C[C@H]1C 705301963 1169709568 /nfs/dbraw/zinc/70/95/68/1169709568.db2.gz AVNDXIJDZDUWII-NEPJUHHUSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CC[C@@H](O)C[C@H]1C 705323448 1169709647 /nfs/dbraw/zinc/70/96/47/1169709647.db2.gz HMWYFUYKLLKVGC-GMTAPVOTSA-N 1 1 185.311 2.020 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@@H](O)C[C@@H]1C 705284759 1169709661 /nfs/dbraw/zinc/70/96/61/1169709661.db2.gz GJHKKMNLEXLQFA-SDDRHHMPSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H]1C[C@H](O)CC[N@H+]1C1CCCCC1 705285241 1169710199 /nfs/dbraw/zinc/71/01/99/1169710199.db2.gz NRFRNCTVVJAHCE-CMPLNLGQSA-N 1 1 197.322 2.164 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCC[C@@H]1C(C)(C)O 707157083 1169716807 /nfs/dbraw/zinc/71/68/07/1169716807.db2.gz OJEIIKXTWDDNRB-WDEREUQCSA-N 1 1 199.338 2.410 10 0 AEAEMO CCSC[C@H](C)[NH2+]CC(C)(F)F 707658806 1169717196 /nfs/dbraw/zinc/71/71/96/1169717196.db2.gz VVPWAXGJBJTGKJ-ZETCQYMHSA-N 1 1 197.294 2.373 10 0 AEAEMO CCC(CC)[N@H+]1CCC[C@H]1C(C)(C)O 707154203 1169717227 /nfs/dbraw/zinc/71/72/27/1169717227.db2.gz CFHDVKVQDXLTKG-NSHDSACASA-N 1 1 199.338 2.410 10 0 AEAEMO CCC(CC)[N@H+]1CCC[C@@H]1C(C)(C)O 707154202 1169717453 /nfs/dbraw/zinc/71/74/53/1169717453.db2.gz CFHDVKVQDXLTKG-LLVKDONJSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCC[C@@H]1C(C)(C)O 707157078 1169717874 /nfs/dbraw/zinc/71/78/74/1169717874.db2.gz OJEIIKXTWDDNRB-GHMZBOCLSA-N 1 1 199.338 2.410 10 0 AEAEMO CC(=O)CC[N@H+]1C[C@@H]2CCCC[C@@]21C 707176311 1169718583 /nfs/dbraw/zinc/71/85/83/1169718583.db2.gz ORGUZAKDZBZIPV-RYUDHWBXSA-N 1 1 195.306 2.230 10 0 AEAEMO CCSC[C@@H](C)[NH2+]CC(C)(F)F 707658803 1169718664 /nfs/dbraw/zinc/71/86/64/1169718664.db2.gz VVPWAXGJBJTGKJ-SSDOTTSWSA-N 1 1 197.294 2.373 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCC[C@H]1C(C)(C)O 707157080 1169718849 /nfs/dbraw/zinc/71/88/49/1169718849.db2.gz OJEIIKXTWDDNRB-MNOVXSKESA-N 1 1 199.338 2.410 10 0 AEAEMO CC(C)CC[N@H+]1C[C@H](CO)CC[C@H]1C 708451113 1169720374 /nfs/dbraw/zinc/72/03/74/1169720374.db2.gz FJNPRXGBVQVTMG-VXGBXAGGSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H]1C[C@H]([N@@H+](C)CCO)CC(C)(C)C1 708978798 1169720403 /nfs/dbraw/zinc/72/04/03/1169720403.db2.gz QICDUADBCFTIBN-QWRGUYRKSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)CC[N@H+]1C[C@@H](CO)CC[C@@H]1C 708451112 1169720514 /nfs/dbraw/zinc/72/05/14/1169720514.db2.gz FJNPRXGBVQVTMG-RYUDHWBXSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H]1C[C@@H]([N@@H+](C)CCO)CC(C)(C)C1 708978800 1169720597 /nfs/dbraw/zinc/72/05/97/1169720597.db2.gz QICDUADBCFTIBN-WDEREUQCSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)CC[N@H+]1C[C@H](CO)CC[C@@H]1C 708451111 1169720786 /nfs/dbraw/zinc/72/07/86/1169720786.db2.gz FJNPRXGBVQVTMG-NWDGAFQWSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@@H]1C[C@@H]([N@@H+](C)CCO)CC(C)(C)C1 708978794 1169720850 /nfs/dbraw/zinc/72/08/50/1169720850.db2.gz QICDUADBCFTIBN-GHMZBOCLSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(=O)C[N@H+](C)[C@H]1CCCC(C)(C)C1 708668434 1169721862 /nfs/dbraw/zinc/72/18/62/1169721862.db2.gz XROSAHANUPAQAV-NSHDSACASA-N 1 1 197.322 2.476 10 0 AEAEMO CC(=O)C[N@H+](C)[C@@H]1CCCC(C)(C)C1 708668433 1169722175 /nfs/dbraw/zinc/72/21/75/1169722175.db2.gz XROSAHANUPAQAV-LLVKDONJSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(C)CC[N@H+]1C[C@@H](CO)CC[C@H]1C 708451110 1169722184 /nfs/dbraw/zinc/72/21/84/1169722184.db2.gz FJNPRXGBVQVTMG-NEPJUHHUSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@@H]1C[C@H]([N@@H+](C)CCO)CC(C)(C)C1 708978796 1169722421 /nfs/dbraw/zinc/72/24/21/1169722421.db2.gz QICDUADBCFTIBN-MNOVXSKESA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)[C@@H]1CCC[N@H+]1Cc1ncc[nH]1 709035433 1169723737 /nfs/dbraw/zinc/72/37/37/1169723737.db2.gz HSHHGEPTAFMJHQ-JTQLQIEISA-N 1 1 193.294 2.030 10 0 AEAEMO C[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)[C@@H]1C 709036153 1169723825 /nfs/dbraw/zinc/72/38/25/1169723825.db2.gz LNJWEUJJMMGWCM-NXEZZACHSA-N 1 1 193.294 2.030 10 0 AEAEMO C[C@H]1CCC[N@@H+](Cc2ncc[nH]2)[C@H]1C 709036154 1169724231 /nfs/dbraw/zinc/72/42/31/1169724231.db2.gz LNJWEUJJMMGWCM-UWVGGRQHSA-N 1 1 193.294 2.030 10 0 AEAEMO C[C@@H]1CC[N@@H+](Cc2ncc[nH]2)[C@H](C)C1 709035798 1169724508 /nfs/dbraw/zinc/72/45/08/1169724508.db2.gz JUHBLIJSHZWBMX-NXEZZACHSA-N 1 1 193.294 2.030 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1Cc1ncc[nH]1 709036236 1169724871 /nfs/dbraw/zinc/72/48/71/1169724871.db2.gz NIAXJSMHBFXESE-JTQLQIEISA-N 1 1 193.294 2.174 10 0 AEAEMO C[C@H]1C[C@H](C)CC[N@H+]1Cc1ncc[nH]1 709035803 1169725109 /nfs/dbraw/zinc/72/51/09/1169725109.db2.gz JUHBLIJSHZWBMX-ZJUUUORDSA-N 1 1 193.294 2.030 10 0 AEAEMO C[C@H]1[C@H](C)CCC[N@H+]1Cc1ncc[nH]1 709036156 1169725136 /nfs/dbraw/zinc/72/51/36/1169725136.db2.gz LNJWEUJJMMGWCM-ZJUUUORDSA-N 1 1 193.294 2.030 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1Cc1ncc[nH]1 709036238 1169725153 /nfs/dbraw/zinc/72/51/53/1169725153.db2.gz NIAXJSMHBFXESE-SNVBAGLBSA-N 1 1 193.294 2.174 10 0 AEAEMO C[C@H]1CCC[N@@H+](Cc2ncc[nH]2)[C@@H]1C 709036155 1169725684 /nfs/dbraw/zinc/72/56/84/1169725684.db2.gz LNJWEUJJMMGWCM-VHSXEESVSA-N 1 1 193.294 2.030 10 0 AEAEMO CC(C)[C@H]1CCC[N@H+]1Cc1ncc[nH]1 709035434 1169725705 /nfs/dbraw/zinc/72/57/05/1169725705.db2.gz HSHHGEPTAFMJHQ-SNVBAGLBSA-N 1 1 193.294 2.030 10 0 AEAEMO C[C@H]1CC[N@@H+](Cc2ncc[nH]2)[C@H](C)C1 709035802 1169725774 /nfs/dbraw/zinc/72/57/74/1169725774.db2.gz JUHBLIJSHZWBMX-VHSXEESVSA-N 1 1 193.294 2.030 10 0 AEAEMO C[C@H]1CCC[C@@H](C)[N@H+]1Cc1ncc[nH]1 709035840 1169725924 /nfs/dbraw/zinc/72/59/24/1169725924.db2.gz KJKDAHVPFBHCAU-AOOOYVTPSA-N 1 1 193.294 2.173 10 0 AEAEMO C[C@H]1CC[N@@H+](Cc2ncc[nH]2)[C@@H](C)C1 709035800 1169725970 /nfs/dbraw/zinc/72/59/70/1169725970.db2.gz JUHBLIJSHZWBMX-UWVGGRQHSA-N 1 1 193.294 2.030 10 0 AEAEMO C[C@H]1CC[C@@H](CN)[N@@H+](CC(C)(C)C)C1 713141160 1169732550 /nfs/dbraw/zinc/73/25/50/1169732550.db2.gz NCYDLSZFZUAHQN-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@@H]1CNCC[N@H+]1CC(C)(C)C 713213245 1169732600 /nfs/dbraw/zinc/73/26/00/1169732600.db2.gz SZWPJTJDBRABND-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H]1C[NH2+]CCN1CC(C)(C)C 713213245 1169732607 /nfs/dbraw/zinc/73/26/07/1169732607.db2.gz SZWPJTJDBRABND-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO C[C@H]1CCC[N@@H+](CC(C)(C)C)[C@@H]1CO 713169741 1169732947 /nfs/dbraw/zinc/73/29/47/1169732947.db2.gz FMUXZTDFIPVIPH-WDEREUQCSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H]1CCC[N@@H+](CC(C)(C)C)[C@H]1CO 713169740 1169733019 /nfs/dbraw/zinc/73/30/19/1169733019.db2.gz FMUXZTDFIPVIPH-QWRGUYRKSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@@H]1CC[C@@H](CN)[N@@H+](CC(C)(C)C)C1 713141159 1169733033 /nfs/dbraw/zinc/73/30/33/1169733033.db2.gz NCYDLSZFZUAHQN-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)(C)C[N@H+]1CCC[C@](C)(O)CC1 713144371 1169733101 /nfs/dbraw/zinc/73/31/01/1169733101.db2.gz ARWJNANYLWQXHE-LBPRGKRZSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)(C)C[N@H+]1CCC[C@@H](CO)CC1 713151591 1169733179 /nfs/dbraw/zinc/73/31/79/1169733179.db2.gz DYEVURDJNYIAOS-LLVKDONJSA-N 1 1 199.338 2.127 10 0 AEAEMO C[C@@H]1CCC[N@@H+](CC(C)(C)C)[C@@H]1CO 713151666 1169733263 /nfs/dbraw/zinc/73/32/63/1169733263.db2.gz FMUXZTDFIPVIPH-GHMZBOCLSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@@H]1CC[C@H](CN)[N@@H+](CC(C)(C)C)C1 713141158 1169733746 /nfs/dbraw/zinc/73/37/46/1169733746.db2.gz NCYDLSZFZUAHQN-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)(C)C[N@H+]1CCC[C@H](CO)CC1 713151594 1169733810 /nfs/dbraw/zinc/73/38/10/1169733810.db2.gz DYEVURDJNYIAOS-NSHDSACASA-N 1 1 199.338 2.127 10 0 AEAEMO C[C@H]1CC[C@H](CN)[N@@H+](CC(C)(C)C)C1 713141161 1169733836 /nfs/dbraw/zinc/73/38/36/1169733836.db2.gz NCYDLSZFZUAHQN-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)(C)C[N@H+]1CCC[C@@](C)(O)CC1 713144370 1169733938 /nfs/dbraw/zinc/73/39/38/1169733938.db2.gz ARWJNANYLWQXHE-GFCCVEGCSA-N 1 1 199.338 2.269 10 0 AEAEMO C[C@@H]1CCC[N@@H+](CC(C)(C)C)[C@H]1CO 713169738 1169734213 /nfs/dbraw/zinc/73/42/13/1169734213.db2.gz FMUXZTDFIPVIPH-MNOVXSKESA-N 1 1 199.338 2.125 10 0 AEAEMO CC(=O)[C@H]1CCCC[N@H+]1CC(C)(C)C 713180550 1169734684 /nfs/dbraw/zinc/73/46/84/1169734684.db2.gz TYYOLKOTRWNCHZ-LLVKDONJSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC[C@@H](C)[N@H+]1C[C@@H](O)CC[C@H]1C 713683783 1169735079 /nfs/dbraw/zinc/73/50/79/1169735079.db2.gz ZZCSOUVMSMBAGA-MXWKQRLJSA-N 1 1 185.311 2.020 10 0 AEAEMO CC(=O)[C@@H]1CCCC[N@H+]1CC(C)(C)C 713180551 1169735198 /nfs/dbraw/zinc/73/51/98/1169735198.db2.gz TYYOLKOTRWNCHZ-NSHDSACASA-N 1 1 197.322 2.476 10 0 AEAEMO Cc1cc(N)[nH+]cc1-c1cccnc1C 715172850 1169735839 /nfs/dbraw/zinc/73/58/39/1169735839.db2.gz PLUFLKJWRLYFKC-UHFFFAOYSA-N 1 1 199.257 2.343 10 0 AEAEMO Cc1ncccc1-c1ccc(N)[nH+]c1C 715172923 1169736313 /nfs/dbraw/zinc/73/63/13/1169736313.db2.gz RHXOGCGGDXYWRI-UHFFFAOYSA-N 1 1 199.257 2.343 10 0 AEAEMO CCCOCCNc1[nH+]cccc1C 715026730 1169736552 /nfs/dbraw/zinc/73/65/52/1169736552.db2.gz HBBUVVXDPYTUGY-UHFFFAOYSA-N 1 1 194.278 2.229 10 0 AEAEMO CCCOCCNc1ccc(C)c[nH+]1 715026946 1169738857 /nfs/dbraw/zinc/73/88/57/1169738857.db2.gz LFZLHKAJVSBBBH-UHFFFAOYSA-N 1 1 194.278 2.229 10 0 AEAEMO CC(=O)[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]1C 722858047 1169763892 /nfs/dbraw/zinc/76/38/92/1169763892.db2.gz QNYYKDBRBWXGHC-WCQGTBRESA-N 1 1 195.306 2.086 10 0 AEAEMO CC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@H]1C 722858046 1169764653 /nfs/dbraw/zinc/76/46/53/1169764653.db2.gz QNYYKDBRBWXGHC-USWWRNFRSA-N 1 1 195.306 2.086 10 0 AEAEMO CC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@@H]1C 722858044 1169765296 /nfs/dbraw/zinc/76/52/96/1169765296.db2.gz QNYYKDBRBWXGHC-DLOVCJGASA-N 1 1 195.306 2.086 10 0 AEAEMO CC(C)CC[NH+]1C[C@@H](F)[C@H](F)C1 722665870 1169765648 /nfs/dbraw/zinc/76/56/48/1169765648.db2.gz ROSXYBIVXQXHNV-RKDXNWHRSA-N 1 1 177.238 2.024 10 0 AEAEMO CC(=O)[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@H]1C 722858045 1169765787 /nfs/dbraw/zinc/76/57/87/1169765787.db2.gz QNYYKDBRBWXGHC-JLLWLGSASA-N 1 1 195.306 2.086 10 0 AEAEMO F[C@@H]1C[NH+](CC2CCCC2)C[C@H]1F 722615523 1169765847 /nfs/dbraw/zinc/76/58/47/1169765847.db2.gz HAJFNNWYHJTMJX-NXEZZACHSA-N 1 1 189.249 2.168 10 0 AEAEMO C[N@@H+](CCCCCO)C[C@H]1CC1(C)C 722579668 1169766598 /nfs/dbraw/zinc/76/65/98/1169766598.db2.gz ULPSIVANJJBZHZ-LLVKDONJSA-N 1 1 199.338 2.127 10 0 AEAEMO C[N@@H+](CCCCCO)C[C@@H]1CC1(C)C 722579669 1169766773 /nfs/dbraw/zinc/76/67/73/1169766773.db2.gz ULPSIVANJJBZHZ-NSHDSACASA-N 1 1 199.338 2.127 10 0 AEAEMO CCCCC[N@H+]1C2CCC1(CO)CC2 722998242 1169768108 /nfs/dbraw/zinc/76/81/08/1169768108.db2.gz LVJQXAJWUXLENM-UHFFFAOYSA-N 1 1 197.322 2.166 10 0 AEAEMO CCCC[C@@H](CC)[N@@H+]1C[C@@H](N)[C@H](C)C1 723466801 1169768606 /nfs/dbraw/zinc/76/86/06/1169768606.db2.gz XSFCOPRWKAVXOH-IJLUTSLNSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(=O)C[N@H+](C)C1CCC2(CC1)CC2 723413104 1169768812 /nfs/dbraw/zinc/76/88/12/1169768812.db2.gz DKOYZYLTWGJPMI-UHFFFAOYSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)CC[C@@H](C)[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 723466768 1169768915 /nfs/dbraw/zinc/76/89/15/1169768915.db2.gz WWIQDNWMFPGAME-IJLUTSLNSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)CC[C@@H](C)[N@H+]1C[C@@H](N)[C@H](C)C1 723466768 1169768921 /nfs/dbraw/zinc/76/89/21/1169768921.db2.gz WWIQDNWMFPGAME-IJLUTSLNSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)CC[C@@H](C)[N@@H+]1C[C@@H](N)[C@H](C)C1 723466768 1169768927 /nfs/dbraw/zinc/76/89/27/1169768927.db2.gz WWIQDNWMFPGAME-IJLUTSLNSA-N 1 1 198.354 2.090 10 0 AEAEMO CCCCC[C@@H](C)[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 723466496 1169769818 /nfs/dbraw/zinc/76/98/18/1169769818.db2.gz SXFIIXMTZULNHI-IJLUTSLNSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCC[C@@H](C)[N@H+]1C[C@@H](N)[C@H](C)C1 723466496 1169769828 /nfs/dbraw/zinc/76/98/28/1169769828.db2.gz SXFIIXMTZULNHI-IJLUTSLNSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCC[C@@H](C)[N@@H+]1C[C@@H](N)[C@H](C)C1 723466496 1169769832 /nfs/dbraw/zinc/76/98/32/1169769832.db2.gz SXFIIXMTZULNHI-IJLUTSLNSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)[N@@H+](C)Cc1c[nH]nc1C 724783421 1169771482 /nfs/dbraw/zinc/77/14/82/1169771482.db2.gz VFSGRADNUCNFFU-UHFFFAOYSA-N 1 1 195.310 2.339 10 0 AEAEMO CCC(CC)[N@H+](C)Cc1cn[nH]c1C 724783421 1169771487 /nfs/dbraw/zinc/77/14/87/1169771487.db2.gz VFSGRADNUCNFFU-UHFFFAOYSA-N 1 1 195.310 2.339 10 0 AEAEMO CCC(CC)[N@@H+](C)Cc1cn[nH]c1C 724783421 1169771497 /nfs/dbraw/zinc/77/14/97/1169771497.db2.gz VFSGRADNUCNFFU-UHFFFAOYSA-N 1 1 195.310 2.339 10 0 AEAEMO C[C@H]1C[C@H](C)CC[N@H+]1Cc1cnc[nH]1 724776007 1169771587 /nfs/dbraw/zinc/77/15/87/1169771587.db2.gz SCBPBNXRPGKXBF-ZJUUUORDSA-N 1 1 193.294 2.030 10 0 AEAEMO C[C@H]1C[C@H](C)CC[N@H+]1Cc1c[nH]cn1 724776007 1169771608 /nfs/dbraw/zinc/77/16/08/1169771608.db2.gz SCBPBNXRPGKXBF-ZJUUUORDSA-N 1 1 193.294 2.030 10 0 AEAEMO C[C@H]1CC[N@@H+](Cc2cnc[nH]2)[C@H](C)C1 724776006 1169772375 /nfs/dbraw/zinc/77/23/75/1169772375.db2.gz SCBPBNXRPGKXBF-VHSXEESVSA-N 1 1 193.294 2.030 10 0 AEAEMO C[C@H]1CC[N@@H+](Cc2c[nH]cn2)[C@H](C)C1 724776006 1169772381 /nfs/dbraw/zinc/77/23/81/1169772381.db2.gz SCBPBNXRPGKXBF-VHSXEESVSA-N 1 1 193.294 2.030 10 0 AEAEMO C[C@H]1CC[N@@H+](Cc2cnc[nH]2)[C@@H](C)C1 724776005 1169772451 /nfs/dbraw/zinc/77/24/51/1169772451.db2.gz SCBPBNXRPGKXBF-UWVGGRQHSA-N 1 1 193.294 2.030 10 0 AEAEMO C[C@H]1CC[N@@H+](Cc2c[nH]cn2)[C@@H](C)C1 724776005 1169772463 /nfs/dbraw/zinc/77/24/63/1169772463.db2.gz SCBPBNXRPGKXBF-UWVGGRQHSA-N 1 1 193.294 2.030 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCC[C@H]1C(C)=O 725330011 1169772582 /nfs/dbraw/zinc/77/25/82/1169772582.db2.gz HWKMEWYEVFMMGB-ONGXEEELSA-N 1 1 183.295 2.228 10 0 AEAEMO C[N@@H+](C1CCCCC1)C1CCOCC1 725443984 1169772696 /nfs/dbraw/zinc/77/26/96/1169772696.db2.gz DEZUHHGUZRMLAP-UHFFFAOYSA-N 1 1 197.322 2.430 10 0 AEAEMO Cc1ncc(C[N@H+]2CCCC2(C)C)[nH]1 724778021 1169772714 /nfs/dbraw/zinc/77/27/14/1169772714.db2.gz OXUFHQWPAJQDDO-UHFFFAOYSA-N 1 1 193.294 2.093 10 0 AEAEMO Cc1nc(C[N@@H+]2CCCC2(C)C)c[nH]1 724778021 1169772719 /nfs/dbraw/zinc/77/27/19/1169772719.db2.gz OXUFHQWPAJQDDO-UHFFFAOYSA-N 1 1 193.294 2.093 10 0 AEAEMO Cc1nc(C[N@H+]2CCCC2(C)C)c[nH]1 724778021 1169772725 /nfs/dbraw/zinc/77/27/25/1169772725.db2.gz OXUFHQWPAJQDDO-UHFFFAOYSA-N 1 1 193.294 2.093 10 0 AEAEMO CC(=O)[C@@H]1CCC[N@H+]1C1CCCCC1 725330234 1169772778 /nfs/dbraw/zinc/77/27/78/1169772778.db2.gz WTLYHELJLFZZHM-LBPRGKRZSA-N 1 1 195.306 2.373 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCC[C@H]1C(C)=O 725330010 1169772801 /nfs/dbraw/zinc/77/28/01/1169772801.db2.gz HWKMEWYEVFMMGB-KOLCDFICSA-N 1 1 183.295 2.228 10 0 AEAEMO Cc1ncc(C[N@H+](C)C2CCCC2)[nH]1 724777826 1169772898 /nfs/dbraw/zinc/77/28/98/1169772898.db2.gz ITBOESQTSKPJGL-UHFFFAOYSA-N 1 1 193.294 2.093 10 0 AEAEMO Cc1nc(C[N@@H+](C)C2CCCC2)c[nH]1 724777826 1169772908 /nfs/dbraw/zinc/77/29/08/1169772908.db2.gz ITBOESQTSKPJGL-UHFFFAOYSA-N 1 1 193.294 2.093 10 0 AEAEMO Cc1nc(C[N@H+](C)C2CCCC2)c[nH]1 724777826 1169772915 /nfs/dbraw/zinc/77/29/15/1169772915.db2.gz ITBOESQTSKPJGL-UHFFFAOYSA-N 1 1 193.294 2.093 10 0 AEAEMO Cc1ncc(C[N@H+](C)CC(C)(C)C)[nH]1 724780563 1169774007 /nfs/dbraw/zinc/77/40/07/1169774007.db2.gz ABCQHEPUUFGIHE-UHFFFAOYSA-N 1 1 195.310 2.196 10 0 AEAEMO Cc1nc(C[N@@H+](C)CC(C)(C)C)c[nH]1 724780563 1169774013 /nfs/dbraw/zinc/77/40/13/1169774013.db2.gz ABCQHEPUUFGIHE-UHFFFAOYSA-N 1 1 195.310 2.196 10 0 AEAEMO Cc1nc(C[N@H+](C)CC(C)(C)C)c[nH]1 724780563 1169774017 /nfs/dbraw/zinc/77/40/17/1169774017.db2.gz ABCQHEPUUFGIHE-UHFFFAOYSA-N 1 1 195.310 2.196 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)Cc1[nH]c(C)nc1C 724780582 1169774031 /nfs/dbraw/zinc/77/40/31/1169774031.db2.gz BOMVNRSSKBMYNQ-MRVPVSSYSA-N 1 1 195.310 2.257 10 0 AEAEMO CCC(CC)[N@@H+](C)Cc1cnc(C)[nH]1 724780742 1169774304 /nfs/dbraw/zinc/77/43/04/1169774304.db2.gz JNQSIUUDUAPFJB-UHFFFAOYSA-N 1 1 195.310 2.339 10 0 AEAEMO CCC(CC)[N@H+](C)Cc1c[nH]c(C)n1 724780742 1169774311 /nfs/dbraw/zinc/77/43/11/1169774311.db2.gz JNQSIUUDUAPFJB-UHFFFAOYSA-N 1 1 195.310 2.339 10 0 AEAEMO CCC(CC)[N@@H+](C)Cc1c[nH]c(C)n1 724780742 1169774318 /nfs/dbraw/zinc/77/43/18/1169774318.db2.gz JNQSIUUDUAPFJB-UHFFFAOYSA-N 1 1 195.310 2.339 10 0 AEAEMO CCCC[N@@H+](CC)Cc1cnc(C)[nH]1 724780959 1169774377 /nfs/dbraw/zinc/77/43/77/1169774377.db2.gz VWJNIPFIBQJEFK-UHFFFAOYSA-N 1 1 195.310 2.340 10 0 AEAEMO CCCC[N@H+](CC)Cc1c[nH]c(C)n1 724780959 1169774383 /nfs/dbraw/zinc/77/43/83/1169774383.db2.gz VWJNIPFIBQJEFK-UHFFFAOYSA-N 1 1 195.310 2.340 10 0 AEAEMO CCCC[N@@H+](CC)Cc1c[nH]c(C)n1 724780959 1169774392 /nfs/dbraw/zinc/77/43/92/1169774392.db2.gz VWJNIPFIBQJEFK-UHFFFAOYSA-N 1 1 195.310 2.340 10 0 AEAEMO Cc1ncc(C[N@@H+]2CCCC[C@H]2C)[nH]1 724777626 1169774786 /nfs/dbraw/zinc/77/47/86/1169774786.db2.gz CZTZZBBVMOQBOI-SECBINFHSA-N 1 1 193.294 2.093 10 0 AEAEMO Cc1nc(C[N@@H+]2CCCC[C@H]2C)c[nH]1 724777626 1169774803 /nfs/dbraw/zinc/77/48/03/1169774803.db2.gz CZTZZBBVMOQBOI-SECBINFHSA-N 1 1 193.294 2.093 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1Cc1cnc(C)[nH]1 724778381 1169774911 /nfs/dbraw/zinc/77/49/11/1169774911.db2.gz WPOBAUYFTNPRKA-LLVKDONJSA-N 1 1 193.294 2.093 10 0 AEAEMO CC[C@@H]1CCC[N@@H+]1Cc1c[nH]c(C)n1 724778381 1169774917 /nfs/dbraw/zinc/77/49/17/1169774917.db2.gz WPOBAUYFTNPRKA-LLVKDONJSA-N 1 1 193.294 2.093 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1Cc1c[nH]c(C)n1 724778381 1169774927 /nfs/dbraw/zinc/77/49/27/1169774927.db2.gz WPOBAUYFTNPRKA-LLVKDONJSA-N 1 1 193.294 2.093 10 0 AEAEMO CCCCC[N@@H+](C)Cc1cnc(C)[nH]1 724780849 1169775098 /nfs/dbraw/zinc/77/50/98/1169775098.db2.gz QDYISBDNXPSFRI-UHFFFAOYSA-N 1 1 195.310 2.340 10 0 AEAEMO CCCCC[N@H+](C)Cc1c[nH]c(C)n1 724780849 1169775105 /nfs/dbraw/zinc/77/51/05/1169775105.db2.gz QDYISBDNXPSFRI-UHFFFAOYSA-N 1 1 195.310 2.340 10 0 AEAEMO CCCCC[N@@H+](C)Cc1c[nH]c(C)n1 724780849 1169775110 /nfs/dbraw/zinc/77/51/10/1169775110.db2.gz QDYISBDNXPSFRI-UHFFFAOYSA-N 1 1 195.310 2.340 10 0 AEAEMO CCC[NH+](CCC)Cc1c[nH]c(C)n1 724780921 1169775139 /nfs/dbraw/zinc/77/51/39/1169775139.db2.gz SATQJZDKNSRYJF-UHFFFAOYSA-N 1 1 195.310 2.340 10 0 AEAEMO Cc1ncc(C[N@@H+]2CCCC[C@@H]2C)[nH]1 724777628 1169775207 /nfs/dbraw/zinc/77/52/07/1169775207.db2.gz CZTZZBBVMOQBOI-VIFPVBQESA-N 1 1 193.294 2.093 10 0 AEAEMO Cc1nc(C[N@@H+]2CCCC[C@@H]2C)c[nH]1 724777628 1169775218 /nfs/dbraw/zinc/77/52/18/1169775218.db2.gz CZTZZBBVMOQBOI-VIFPVBQESA-N 1 1 193.294 2.093 10 0 AEAEMO CC[C@H](C)[N@@H+](C)Cc1[nH]c(C)nc1C 724780583 1169775173 /nfs/dbraw/zinc/77/51/73/1169775173.db2.gz BOMVNRSSKBMYNQ-QMMMGPOBSA-N 1 1 195.310 2.257 10 0 AEAEMO CC[C@H]1CCC[N@H+]1Cc1cnc(C)[nH]1 724778382 1169775295 /nfs/dbraw/zinc/77/52/95/1169775295.db2.gz WPOBAUYFTNPRKA-NSHDSACASA-N 1 1 193.294 2.093 10 0 AEAEMO CC[C@H]1CCC[N@@H+]1Cc1c[nH]c(C)n1 724778382 1169775296 /nfs/dbraw/zinc/77/52/96/1169775296.db2.gz WPOBAUYFTNPRKA-NSHDSACASA-N 1 1 193.294 2.093 10 0 AEAEMO CC[C@H]1CCC[N@H+]1Cc1c[nH]c(C)n1 724778382 1169775299 /nfs/dbraw/zinc/77/52/99/1169775299.db2.gz WPOBAUYFTNPRKA-NSHDSACASA-N 1 1 193.294 2.093 10 0 AEAEMO CC(=O)CC[N@H+](C)C[C@@H]1CC=CCC1 784394134 1169777741 /nfs/dbraw/zinc/77/77/41/1169777741.db2.gz XXSZOBSZDAASGO-GFCCVEGCSA-N 1 1 195.306 2.254 10 0 AEAEMO CC(=O)CC[N@H+](C)C[C@H]1CC=CCC1 784394135 1169777785 /nfs/dbraw/zinc/77/77/85/1169777785.db2.gz XXSZOBSZDAASGO-LBPRGKRZSA-N 1 1 195.306 2.254 10 0 AEAEMO C[C@@H]1CC[N@H+]1Cc1cncc(Cl)c1 1136989499 1169787499 /nfs/dbraw/zinc/78/74/99/1169787499.db2.gz KUKITLIWQJZUIQ-MRVPVSSYSA-N 1 1 196.681 2.329 10 0 AEAEMO C[C@@H]1CC[N@@H+]1Cc1cncc(Cl)c1 1136989499 1169787491 /nfs/dbraw/zinc/78/74/91/1169787491.db2.gz KUKITLIWQJZUIQ-MRVPVSSYSA-N 1 1 196.681 2.329 10 0 AEAEMO C[C@H]1CC[N@@H+]1Cc1cncc(Cl)c1 1136989500 1169789005 /nfs/dbraw/zinc/78/90/05/1169789005.db2.gz KUKITLIWQJZUIQ-QMMMGPOBSA-N 1 1 196.681 2.329 10 0 AEAEMO C[C@H]1CC[N@H+]1Cc1cncc(Cl)c1 1136989500 1169789009 /nfs/dbraw/zinc/78/90/09/1169789009.db2.gz KUKITLIWQJZUIQ-QMMMGPOBSA-N 1 1 196.681 2.329 10 0 AEAEMO Cc1cc(F)ncc1C[N@H+]1CC[C@H]1C 1231980600 1169835969 /nfs/dbraw/zinc/83/59/69/1169835969.db2.gz YUQSIZMQBCFMGN-SECBINFHSA-N 1 1 194.253 2.123 10 0 AEAEMO Cc1cc(F)ncc1C[N@@H+]1CC[C@H]1C 1231980600 1169835980 /nfs/dbraw/zinc/83/59/80/1169835980.db2.gz YUQSIZMQBCFMGN-SECBINFHSA-N 1 1 194.253 2.123 10 0 AEAEMO Cc1cc(F)ncc1C[N@H+]1CC[C@@H]1C 1231980602 1169836205 /nfs/dbraw/zinc/83/62/05/1169836205.db2.gz YUQSIZMQBCFMGN-VIFPVBQESA-N 1 1 194.253 2.123 10 0 AEAEMO Cc1cc(F)ncc1C[N@@H+]1CC[C@@H]1C 1231980602 1169836208 /nfs/dbraw/zinc/83/62/08/1169836208.db2.gz YUQSIZMQBCFMGN-VIFPVBQESA-N 1 1 194.253 2.123 10 0 AEAEMO CSCC[N@H+]1CC2CCC1CC2 1254087921 1169854767 /nfs/dbraw/zinc/85/47/67/1169854767.db2.gz BWPXTHHMYRBOGJ-UHFFFAOYSA-N 1 1 185.336 2.224 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1[C@@H]1CCCOC1 1254376758 1169869639 /nfs/dbraw/zinc/86/96/39/1169869639.db2.gz ZTAWTNJXXNYQHE-GHMZBOCLSA-N 1 1 183.295 2.040 10 0 AEAEMO C[C@H]1CCCC[N@H+]1[C@H]1CCCOC1 1254376760 1169871590 /nfs/dbraw/zinc/87/15/90/1169871590.db2.gz ZTAWTNJXXNYQHE-QWRGUYRKSA-N 1 1 183.295 2.040 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1[C@H]1CCCOC1 1254376759 1169872411 /nfs/dbraw/zinc/87/24/11/1169872411.db2.gz ZTAWTNJXXNYQHE-MNOVXSKESA-N 1 1 183.295 2.040 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1[C@@H]1CCCOC1 1254382631 1169872728 /nfs/dbraw/zinc/87/27/28/1169872728.db2.gz NFXXGHGKXPXRIW-NWDGAFQWSA-N 1 1 197.322 2.430 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1[C@@H]1CCCOC1 1254382633 1169872925 /nfs/dbraw/zinc/87/29/25/1169872925.db2.gz NFXXGHGKXPXRIW-VXGBXAGGSA-N 1 1 197.322 2.430 10 0 AEAEMO C[C@H]1CCCC[N@H+]1[C@@H]1CCCOC1 1254376761 1169874735 /nfs/dbraw/zinc/87/47/35/1169874735.db2.gz ZTAWTNJXXNYQHE-WDEREUQCSA-N 1 1 183.295 2.040 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1[C@H]1CCCOC1 1254382630 1169875504 /nfs/dbraw/zinc/87/55/04/1169875504.db2.gz NFXXGHGKXPXRIW-NEPJUHHUSA-N 1 1 197.322 2.430 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1[C@H]1CCCOC1 1254382632 1169876096 /nfs/dbraw/zinc/87/60/96/1169876096.db2.gz NFXXGHGKXPXRIW-RYUDHWBXSA-N 1 1 197.322 2.430 10 0 AEAEMO C[C@@H]1CC[N@H+](C2CCOCC2)[C@H](C)C1 1255048078 1169901234 /nfs/dbraw/zinc/90/12/34/1169901234.db2.gz RMYFMBFXUKYHNU-GHMZBOCLSA-N 1 1 197.322 2.286 10 0 AEAEMO COC1CCC([N@H+]2CC[C@H]2C)CC1 1255457385 1169939580 /nfs/dbraw/zinc/93/95/80/1169939580.db2.gz SVXKMQKBNANWFG-KPPDAEKUSA-N 1 1 183.295 2.038 10 0 AEAEMO COC1CCC([N@H+]2CC[C@@H]2C)CC1 1255457386 1169940584 /nfs/dbraw/zinc/94/05/84/1169940584.db2.gz SVXKMQKBNANWFG-WHXUTIOJSA-N 1 1 183.295 2.038 10 0 AEAEMO COC[C@H](C)[N@H+]1CC[C@H]2CCC[C@@H]2C1 1255568933 1169950931 /nfs/dbraw/zinc/95/09/31/1169950931.db2.gz DFJBXTGWIAFHKS-QJPTWQEYSA-N 1 1 197.322 2.143 10 0 AEAEMO COC[C@H](C)[N@H+]1CC[C@H]2CCC[C@H]2C1 1255568938 1169951082 /nfs/dbraw/zinc/95/10/82/1169951082.db2.gz DFJBXTGWIAFHKS-TUAOUCFPSA-N 1 1 197.322 2.143 10 0 AEAEMO COC[C@H](C)[N@H+]1CC[C@@H]2CCC[C@@H]2C1 1255568935 1169951574 /nfs/dbraw/zinc/95/15/74/1169951574.db2.gz DFJBXTGWIAFHKS-SDDRHHMPSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1[C@@H](C)COC 1255577001 1169955020 /nfs/dbraw/zinc/95/50/20/1169955020.db2.gz VSBAKYPXTUSQLR-QWRGUYRKSA-N 1 1 185.311 2.286 10 0 AEAEMO COC[C@H](C)[N@H+]1CC[C@@H]2CCC[C@H]2C1 1255568936 1169953197 /nfs/dbraw/zinc/95/31/97/1169953197.db2.gz DFJBXTGWIAFHKS-SRVKXCTJSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1[C@@H](C)COC 1255577002 1169955345 /nfs/dbraw/zinc/95/53/45/1169955345.db2.gz VSBAKYPXTUSQLR-WDEREUQCSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1[C@H](C)COC 1255576999 1169955743 /nfs/dbraw/zinc/95/57/43/1169955743.db2.gz VSBAKYPXTUSQLR-GHMZBOCLSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1[C@H](C)COC 1255577000 1169956519 /nfs/dbraw/zinc/95/65/19/1169956519.db2.gz VSBAKYPXTUSQLR-MNOVXSKESA-N 1 1 185.311 2.286 10 0 AEAEMO CC(C)CC[C@@H](C)[N@@H+](C)CC1COC1 1256370895 1169967603 /nfs/dbraw/zinc/96/76/03/1169967603.db2.gz LACOABWZGGCOQF-LLVKDONJSA-N 1 1 199.338 2.389 10 0 AEAEMO CC(C)CC[C@H](C)[N@H+]1CCO[C@@H]2C[C@@H]21 1256372856 1169967732 /nfs/dbraw/zinc/96/77/32/1169967732.db2.gz PACJZTXAAAZYTL-SDDRHHMPSA-N 1 1 197.322 2.284 10 0 AEAEMO CC(C)CC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CO2 1256370243 1169968118 /nfs/dbraw/zinc/96/81/18/1169968118.db2.gz GNGWFEMVDDEALJ-SRVKXCTJSA-N 1 1 197.322 2.284 10 0 AEAEMO CC(C)CC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CO2 1256370244 1169968204 /nfs/dbraw/zinc/96/82/04/1169968204.db2.gz GNGWFEMVDDEALJ-WOPDTQHZSA-N 1 1 197.322 2.284 10 0 AEAEMO CC(C)CC[C@@H](C)[N@@H+](C)C1COC1 1256370562 1169968649 /nfs/dbraw/zinc/96/86/49/1169968649.db2.gz JIABTWZMWIMGBL-SNVBAGLBSA-N 1 1 185.311 2.142 10 0 AEAEMO CC(C)CC[C@H](C)[N@@H+](C)C1COC1 1256370560 1169969223 /nfs/dbraw/zinc/96/92/23/1169969223.db2.gz JIABTWZMWIMGBL-JTQLQIEISA-N 1 1 185.311 2.142 10 0 AEAEMO CC(C)CC[C@H](C)[N@@H+](C)CC1COC1 1256370897 1169969739 /nfs/dbraw/zinc/96/97/39/1169969739.db2.gz LACOABWZGGCOQF-NSHDSACASA-N 1 1 199.338 2.389 10 0 AEAEMO CCC[C@H](CC)[N@@H+](C)C[C@H](C)C[NH3+] 1257251002 1169981673 /nfs/dbraw/zinc/98/16/73/1169981673.db2.gz ZSGMNVZDTHOVAB-MNOVXSKESA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@@H](CC)[N@@H+](C)C[C@H](C)C[NH3+] 1257251001 1169981936 /nfs/dbraw/zinc/98/19/36/1169981936.db2.gz ZSGMNVZDTHOVAB-GHMZBOCLSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@@H](CC)[N@@H+](C)C[C@@H](C)C[NH3+] 1257251004 1169981995 /nfs/dbraw/zinc/98/19/95/1169981995.db2.gz ZSGMNVZDTHOVAB-WDEREUQCSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@@H](CC)[N@@H+](C)CC(C)=O 1257256389 1169982023 /nfs/dbraw/zinc/98/20/23/1169982023.db2.gz GRVVPDQXYKOQIX-SNVBAGLBSA-N 1 1 171.284 2.086 10 0 AEAEMO CCC[C@H](CC)[N@@H+](C)C(C)(C)CN 1257251756 1169982537 /nfs/dbraw/zinc/98/25/37/1169982537.db2.gz TWUXEDHLXYCKAZ-JTQLQIEISA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@@H](CC)[N@@H+](C)C(C)(C)CN 1257251757 1169982543 /nfs/dbraw/zinc/98/25/43/1169982543.db2.gz TWUXEDHLXYCKAZ-SNVBAGLBSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@H](CC)[N@@H+](C)CC(C)=O 1257256387 1169982946 /nfs/dbraw/zinc/98/29/46/1169982946.db2.gz GRVVPDQXYKOQIX-JTQLQIEISA-N 1 1 171.284 2.086 10 0 AEAEMO CCC[C@H](CC)[N@@H+](C)C[C@@H](C)C[NH3+] 1257251003 1169983458 /nfs/dbraw/zinc/98/34/58/1169983458.db2.gz ZSGMNVZDTHOVAB-QWRGUYRKSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@@H](CC)[N@@H+](C)CCOC 1257257821 1169983802 /nfs/dbraw/zinc/98/38/02/1169983802.db2.gz VYXBUPHKAYGBJN-SNVBAGLBSA-N 1 1 173.300 2.143 10 0 AEAEMO CCC(CC)[N@H+]1CCOC[C@@H](C)C1 1257294472 1169991190 /nfs/dbraw/zinc/99/11/90/1169991190.db2.gz NZAASFJAHSBVCU-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[C@H](CC)[N@@H+](C)CCN(C)C 1257258339 1169984725 /nfs/dbraw/zinc/98/47/25/1169984725.db2.gz YMKKZVKIDZXBSA-NSHDSACASA-N 1 1 186.343 2.059 10 0 AEAEMO CCC[C@H](CC)[N@@H+](C)CCOC 1257257813 1169985764 /nfs/dbraw/zinc/98/57/64/1169985764.db2.gz VYXBUPHKAYGBJN-JTQLQIEISA-N 1 1 173.300 2.143 10 0 AEAEMO CCC[C@@H](CC)[N@@H+](C)CCN(C)C 1257258338 1169986015 /nfs/dbraw/zinc/98/60/15/1169986015.db2.gz YMKKZVKIDZXBSA-LLVKDONJSA-N 1 1 186.343 2.059 10 0 AEAEMO CCC[C@@H](CC)[N@@H+](C)[C@@H]1CCOC1 1257264386 1169986117 /nfs/dbraw/zinc/98/61/17/1169986117.db2.gz LOYZZWYKDPNIRS-GHMZBOCLSA-N 1 1 185.311 2.286 10 0 AEAEMO CCC[C@@H](CC)[N@@H+](C)[C@H]1CCOC1 1257264387 1169986384 /nfs/dbraw/zinc/98/63/84/1169986384.db2.gz LOYZZWYKDPNIRS-MNOVXSKESA-N 1 1 185.311 2.286 10 0 AEAEMO CCC[C@H](CC)[N@@H+](C)[C@@H]1CCOC1 1257264389 1169986628 /nfs/dbraw/zinc/98/66/28/1169986628.db2.gz LOYZZWYKDPNIRS-WDEREUQCSA-N 1 1 185.311 2.286 10 0 AEAEMO CCC[C@H](CC)[N@@H+](C)[C@H]1CCOC1 1257264388 1169986857 /nfs/dbraw/zinc/98/68/57/1169986857.db2.gz LOYZZWYKDPNIRS-QWRGUYRKSA-N 1 1 185.311 2.286 10 0 AEAEMO CCC[C@@H](CC)[N@@H+](C)CCF 1257272074 1169987382 /nfs/dbraw/zinc/98/73/82/1169987382.db2.gz YGAJIIZTTBIPAC-SECBINFHSA-N 1 1 161.264 2.466 10 0 AEAEMO CCC(CC)[NH2+][C@@H]1CC1(F)F 1257285566 1169987970 /nfs/dbraw/zinc/98/79/70/1169987970.db2.gz NARAMACAHDYXKX-SSDOTTSWSA-N 1 1 163.211 2.172 10 0 AEAEMO CCC(CC)[NH2+][C@H]1CC1(F)F 1257285570 1169988328 /nfs/dbraw/zinc/98/83/28/1169988328.db2.gz NARAMACAHDYXKX-ZETCQYMHSA-N 1 1 163.211 2.172 10 0 AEAEMO CCC[C@H](CC)[N@@H+](C)CCF 1257272078 1169988612 /nfs/dbraw/zinc/98/86/12/1169988612.db2.gz YGAJIIZTTBIPAC-VIFPVBQESA-N 1 1 161.264 2.466 10 0 AEAEMO CCC[C@@H](CC)[N@@H+](C)CC1COC1 1257265011 1169988914 /nfs/dbraw/zinc/98/89/14/1169988914.db2.gz YKVOGNCRYVGYSY-LLVKDONJSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[C@H](CC)[N@@H+](C)CC1COC1 1257265012 1169989811 /nfs/dbraw/zinc/98/98/11/1169989811.db2.gz YKVOGNCRYVGYSY-NSHDSACASA-N 1 1 185.311 2.143 10 0 AEAEMO CCC(CC)[NH+]1C[C@@H](F)[C@H](F)C1 1257294941 1169990384 /nfs/dbraw/zinc/99/03/84/1169990384.db2.gz TXOLPEIWSQTIQP-RKDXNWHRSA-N 1 1 177.238 2.167 10 0 AEAEMO CCC(CC)[N@H+]1CC[C@H](COC)C1 1257296922 1169990393 /nfs/dbraw/zinc/99/03/93/1169990393.db2.gz RWDAEUFDJAGSIP-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO CCC(CC)[N@H+]1CCCO[C@@H](C)C1 1257293613 1169990401 /nfs/dbraw/zinc/99/04/01/1169990401.db2.gz AOENACLPZKLDNR-JTQLQIEISA-N 1 1 185.311 2.286 10 0 AEAEMO CCC(CC)[N@H+]1CC[C@@H]1C 1257296939 1169991033 /nfs/dbraw/zinc/99/10/33/1169991033.db2.gz SBODPRAZHQTCBE-QMMMGPOBSA-N 1 1 141.258 2.269 10 0 AEAEMO CCC(CC)[N@H+]1CC[C@@H](F)C1 1257295584 1169991114 /nfs/dbraw/zinc/99/11/14/1169991114.db2.gz AIWAKWPUWZXUBL-MRVPVSSYSA-N 1 1 159.248 2.219 10 0 AEAEMO CCC(CC)[N@@H+]1C[C@H]2C[C@H]2C1 1257296539 1169991390 /nfs/dbraw/zinc/99/13/90/1169991390.db2.gz MTJAYRBYLGZHMW-DTORHVGOSA-N 1 1 153.269 2.127 10 0 AEAEMO CCC(CC)[N@H+]1CC[C@@H](COC)C1 1257296923 1169991625 /nfs/dbraw/zinc/99/16/25/1169991625.db2.gz RWDAEUFDJAGSIP-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC(CC)[N@H+]1CC[C@@H]2COC[C@@H]2C1 1257296635 1169991651 /nfs/dbraw/zinc/99/16/51/1169991651.db2.gz OHCVOKLUEBDUBY-MNOVXSKESA-N 1 1 197.322 2.143 10 0 AEAEMO CCC(CC)[N@@H+]1C[C@H](F)[C@H](F)C1 1257296996 1169991771 /nfs/dbraw/zinc/99/17/71/1169991771.db2.gz TXOLPEIWSQTIQP-DTORHVGOSA-N 1 1 177.238 2.167 10 0 AEAEMO CCC(CC)[N@H+]1C[C@H](F)[C@H](F)C1 1257296996 1169991777 /nfs/dbraw/zinc/99/17/77/1169991777.db2.gz TXOLPEIWSQTIQP-DTORHVGOSA-N 1 1 177.238 2.167 10 0 AEAEMO CCC(CC)[N@H+]1C[C@@H](C)[C@@H](F)C1 1257295033 1169991822 /nfs/dbraw/zinc/99/18/22/1169991822.db2.gz WUNYMSMFODGGOD-SCZZXKLOSA-N 1 1 173.275 2.465 10 0 AEAEMO CCC(CC)[N@H+]1CCC[C@@H](OC)C1 1257294822 1169991842 /nfs/dbraw/zinc/99/18/42/1169991842.db2.gz SHSGUYBSIGQDAX-LLVKDONJSA-N 1 1 185.311 2.286 10 0 AEAEMO CCC(CC)[NH+]1CC(C)(F)C1 1257295590 1169991928 /nfs/dbraw/zinc/99/19/28/1169991928.db2.gz ASUVVTHDDUQVKD-UHFFFAOYSA-N 1 1 159.248 2.219 10 0 AEAEMO CCC(CC)[N@H+]1CCCO[C@H](C)C1 1257293614 1169991942 /nfs/dbraw/zinc/99/19/42/1169991942.db2.gz AOENACLPZKLDNR-SNVBAGLBSA-N 1 1 185.311 2.286 10 0 AEAEMO CCC(CC)[N@H+]1CC[C@H](F)C1 1257295585 1169991973 /nfs/dbraw/zinc/99/19/73/1169991973.db2.gz AIWAKWPUWZXUBL-QMMMGPOBSA-N 1 1 159.248 2.219 10 0 AEAEMO CCC(CC)[N@H+]1CCC[C@H](OC)C1 1257294823 1169992086 /nfs/dbraw/zinc/99/20/86/1169992086.db2.gz SHSGUYBSIGQDAX-NSHDSACASA-N 1 1 185.311 2.286 10 0 AEAEMO CCC(CC)[N@H+]1C[C@@H]2CC[C@H](C1)O2 1257294273 1169992177 /nfs/dbraw/zinc/99/21/77/1169992177.db2.gz KVKSFCVETXVZLJ-PHIMTYICSA-N 1 1 183.295 2.038 10 0 AEAEMO CCC(CC)[N@H+]1CCC[C@H]1COC 1257295045 1169992441 /nfs/dbraw/zinc/99/24/41/1169992441.db2.gz XCKMVRUWNJDOTF-NSHDSACASA-N 1 1 185.311 2.286 10 0 AEAEMO CCC(CC)[N@H+]1CC[C@@H](C)[C@](C)(O)C1 1257295598 1169992586 /nfs/dbraw/zinc/99/25/86/1169992586.db2.gz BAGFXSCEALIOPA-ZYHUDNBSSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC(CC)[N@H+]1CC[C@H]1C 1257296937 1169992627 /nfs/dbraw/zinc/99/26/27/1169992627.db2.gz SBODPRAZHQTCBE-MRVPVSSYSA-N 1 1 141.258 2.269 10 0 AEAEMO CCC(CC)[N@H+]1CCC[C@@H]1COC 1257295044 1169992703 /nfs/dbraw/zinc/99/27/03/1169992703.db2.gz XCKMVRUWNJDOTF-LLVKDONJSA-N 1 1 185.311 2.286 10 0 AEAEMO CCC(CC)[N@H+]1CCOC[C@H](C)C1 1257294473 1169992724 /nfs/dbraw/zinc/99/27/24/1169992724.db2.gz NZAASFJAHSBVCU-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[C@H](C)[NH2+][C@H]1CC1(F)F 1257305038 1169993250 /nfs/dbraw/zinc/99/32/50/1169993250.db2.gz WDSHBCWFYDWRQX-BQBZGAKWSA-N 1 1 163.211 2.172 10 0 AEAEMO CCC(CC)[N@H+]1CCOCC1(C)C 1257298968 1169993350 /nfs/dbraw/zinc/99/33/50/1169993350.db2.gz BIGCOTGFHIVXEE-UHFFFAOYSA-N 1 1 185.311 2.286 10 0 AEAEMO CCC(CC)[N@H+]1CCOCC12CC2 1257304031 1169993413 /nfs/dbraw/zinc/99/34/13/1169993413.db2.gz YPFIKHYNHWEVSE-UHFFFAOYSA-N 1 1 183.295 2.040 10 0 AEAEMO CCC[C@@H](C)[NH2+][C@@H]1CC1(F)F 1257305041 1169993428 /nfs/dbraw/zinc/99/34/28/1169993428.db2.gz WDSHBCWFYDWRQX-RNFRBKRXSA-N 1 1 163.211 2.172 10 0 AEAEMO CCC[C@H](C)[NH2+][C@@H]1CC1(F)F 1257305040 1169993601 /nfs/dbraw/zinc/99/36/01/1169993601.db2.gz WDSHBCWFYDWRQX-NKWVEPMBSA-N 1 1 163.211 2.172 10 0 AEAEMO CCC(CC)[N@H+]1CCOC[C@H]1CC 1257301177 1169993866 /nfs/dbraw/zinc/99/38/66/1169993866.db2.gz TYGFNGHEABEERK-LLVKDONJSA-N 1 1 185.311 2.286 10 0 AEAEMO CCC(CC)[N@H+]1CCOC[C@@H]1CC 1257301178 1169994273 /nfs/dbraw/zinc/99/42/73/1169994273.db2.gz TYGFNGHEABEERK-NSHDSACASA-N 1 1 185.311 2.286 10 0 AEAEMO CCC(CC)[N@H+]1C[C@@H](C)OC[C@@H]1C 1257302526 1169994357 /nfs/dbraw/zinc/99/43/57/1169994357.db2.gz XMYJSHXLKDPWIM-VHSXEESVSA-N 1 1 185.311 2.284 10 0 AEAEMO CCC(CC)[N@H+]1CCOC2(CC2)C1 1257301933 1169994611 /nfs/dbraw/zinc/99/46/11/1169994611.db2.gz OLAGDNMMGRELIB-UHFFFAOYSA-N 1 1 183.295 2.040 10 0 AEAEMO CCC[C@@H](C)[NH2+][C@H]1CC1(F)F 1257305042 1169994743 /nfs/dbraw/zinc/99/47/43/1169994743.db2.gz WDSHBCWFYDWRQX-RQJHMYQMSA-N 1 1 163.211 2.172 10 0 AEAEMO CCC(CC)[N@H+]1CC[C@]12CCOC2 1257302596 1169995133 /nfs/dbraw/zinc/99/51/33/1169995133.db2.gz ZWKZJEMOOPWJAK-LLVKDONJSA-N 1 1 183.295 2.040 10 0 AEAEMO CCC(CC)[N@H+]1CC[C@@]12CCOC2 1257302597 1169995154 /nfs/dbraw/zinc/99/51/54/1169995154.db2.gz ZWKZJEMOOPWJAK-NSHDSACASA-N 1 1 183.295 2.040 10 0 AEAEMO CCC(CC)[N@H+]1C[C@@H](C)OC[C@H]1C 1257304015 1169995315 /nfs/dbraw/zinc/99/53/15/1169995315.db2.gz XMYJSHXLKDPWIM-NXEZZACHSA-N 1 1 185.311 2.284 10 0 AEAEMO CCO[C@@H]1CC[N@H+](C(CC)CC)C1 1257303950 1169995368 /nfs/dbraw/zinc/99/53/68/1169995368.db2.gz VURLMQTXBHTDEB-LLVKDONJSA-N 1 1 185.311 2.286 10 0 AEAEMO CCC(CC)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 1257299825 1169995529 /nfs/dbraw/zinc/99/55/29/1169995529.db2.gz BGKPNVCZQFSEGX-PWSUYJOCSA-N 1 1 197.322 2.286 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CC[C@@H]2COC[C@@H]2C1 1257316584 1169998282 /nfs/dbraw/zinc/99/82/82/1169998282.db2.gz FXEROPSOGVINMQ-UTUOFQBUSA-N 1 1 197.322 2.143 10 0 AEAEMO CCC[C@H](C)[N@@H+](CC)CCN(C)C 1257317457 1169998523 /nfs/dbraw/zinc/99/85/23/1169998523.db2.gz ZNBHAEWHENGZHM-NSHDSACASA-N 1 1 186.343 2.059 10 0 AEAEMO CCC[C@H](C)[NH+]1CC(C)(F)C1 1257317470 1169998858 /nfs/dbraw/zinc/99/88/58/1169998858.db2.gz OSCIWVSUWDIRLE-QMMMGPOBSA-N 1 1 159.248 2.219 10 0 AEAEMO CCC[C@@H](C)[N@@H+](CC)CCN(C)C 1257317456 1169998881 /nfs/dbraw/zinc/99/88/81/1169998881.db2.gz ZNBHAEWHENGZHM-LLVKDONJSA-N 1 1 186.343 2.059 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@@H]1C 1257317483 1169998892 /nfs/dbraw/zinc/99/88/92/1169998892.db2.gz OWXLUBSQWMMHIE-IUCAKERBSA-N 1 1 141.258 2.269 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@H]1C 1257317482 1169999366 /nfs/dbraw/zinc/99/93/66/1169999366.db2.gz OWXLUBSQWMMHIE-DTWKUNHWSA-N 1 1 141.258 2.269 10 0 AEAEMO CCC[C@@H](C)[NH+]1CC(C)(F)C1 1257317469 1169999715 /nfs/dbraw/zinc/99/97/15/1169999715.db2.gz OSCIWVSUWDIRLE-MRVPVSSYSA-N 1 1 159.248 2.219 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CC[C@@H]1C 1257317481 1169999722 /nfs/dbraw/zinc/99/97/22/1169999722.db2.gz OWXLUBSQWMMHIE-BDAKNGLRSA-N 1 1 141.258 2.269 10 0 AEAEMO CCC[C@H](C)[NH+]1C[C@@H](F)[C@H](F)C1 1257316501 1169999804 /nfs/dbraw/zinc/99/98/04/1169999804.db2.gz FKTDMRSMJLYPOB-DJLDLDEBSA-N 1 1 177.238 2.167 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CC[C@H]1C 1257317484 1169999967 /nfs/dbraw/zinc/99/99/67/1169999967.db2.gz OWXLUBSQWMMHIE-RKDXNWHRSA-N 1 1 141.258 2.269 10 0 AEAEMO CO[C@H]1CC[N@@H+](CCC(C)(C)C)C1 143705678 566267112 /nfs/dbraw/zinc/26/71/12/566267112.db2.gz DRSRFXPHURGKCZ-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO CC(C)[N@@H+](CC1CC1)C1CCOCC1 143641204 566267204 /nfs/dbraw/zinc/26/72/04/566267204.db2.gz LNMFYMVTFXXOHV-UHFFFAOYSA-N 1 1 197.322 2.286 10 0 AEAEMO CCC[N@@H+](C)C[C@H](O)C1CCCCC1 158400780 566271241 /nfs/dbraw/zinc/27/12/41/566271241.db2.gz KLZXRELZHMFNRN-LBPRGKRZSA-N 1 1 199.338 2.269 10 0 AEAEMO C[N@@H+](C[C@H](O)C1CCCCC1)C1CC1 158406117 566271410 /nfs/dbraw/zinc/27/14/10/566271410.db2.gz VQLXYGCOQVKNSC-LBPRGKRZSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[N@@H+](C)C[C@@H](O)C1CCCCC1 158400925 566271422 /nfs/dbraw/zinc/27/14/22/566271422.db2.gz KLZXRELZHMFNRN-GFCCVEGCSA-N 1 1 199.338 2.269 10 0 AEAEMO C[N@@H+](C[C@@H](O)C1CCCCC1)C1CC1 158406273 566271439 /nfs/dbraw/zinc/27/14/39/566271439.db2.gz VQLXYGCOQVKNSC-GFCCVEGCSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCCC[C@H]1CCC[N@H+]1CCO 196456349 566274514 /nfs/dbraw/zinc/27/45/14/566274514.db2.gz DHUAKLLFRWONSH-NSHDSACASA-N 1 1 185.311 2.023 10 0 AEAEMO CCCCC[C@@H]1CCC[N@H+]1CCO 196456338 566274742 /nfs/dbraw/zinc/27/47/42/566274742.db2.gz DHUAKLLFRWONSH-LLVKDONJSA-N 1 1 185.311 2.023 10 0 AEAEMO Fc1ccc(C[N@@H+]2C[C@H]3C[C@H]3C2)cc1 204521603 566278894 /nfs/dbraw/zinc/27/88/94/566278894.db2.gz GFLDAEGDYREGPQ-PHIMTYICSA-N 1 1 191.249 2.277 10 0 AEAEMO CCC[C@@H](C)[NH+]1C[C@@H](F)[C@H](F)C1 1257316502 1170000608 /nfs/dbraw/zinc/00/06/08/1170000608.db2.gz FKTDMRSMJLYPOB-IWSPIJDZSA-N 1 1 177.238 2.167 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CC[C@]12CCOC2 1257327129 1170001263 /nfs/dbraw/zinc/00/12/63/1170001263.db2.gz HYBFMKAUEUQBDO-GHMZBOCLSA-N 1 1 183.295 2.040 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CC[C@@]12CCOC2 1257327130 1170001810 /nfs/dbraw/zinc/00/18/10/1170001810.db2.gz HYBFMKAUEUQBDO-MNOVXSKESA-N 1 1 183.295 2.040 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@@]12CCOC2 1257327131 1170002341 /nfs/dbraw/zinc/00/23/41/1170002341.db2.gz HYBFMKAUEUQBDO-QWRGUYRKSA-N 1 1 183.295 2.040 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@@H](OCC)C1 1257325095 1170002632 /nfs/dbraw/zinc/00/26/32/1170002632.db2.gz ZTLPVKHHIYUISE-WDEREUQCSA-N 1 1 185.311 2.286 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@]12CCOC2 1257327132 1170002668 /nfs/dbraw/zinc/00/26/68/1170002668.db2.gz HYBFMKAUEUQBDO-WDEREUQCSA-N 1 1 183.295 2.040 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CC[C@@H](OCC)C1 1257325094 1170004752 /nfs/dbraw/zinc/00/47/52/1170004752.db2.gz ZTLPVKHHIYUISE-GHMZBOCLSA-N 1 1 185.311 2.286 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCOC2(CC2)C1 1257329473 1170007478 /nfs/dbraw/zinc/00/74/78/1170007478.db2.gz YRDPWPRNXFHFQS-JTQLQIEISA-N 1 1 183.295 2.040 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCOC2(CC2)C1 1257329474 1170007624 /nfs/dbraw/zinc/00/76/24/1170007624.db2.gz YRDPWPRNXFHFQS-SNVBAGLBSA-N 1 1 183.295 2.040 10 0 AEAEMO c1nc2c(s1)C[N@@H+](C1CCCC1)C2 1257354446 1170009021 /nfs/dbraw/zinc/00/90/21/1170009021.db2.gz DGTKQGWXSHKXAU-UHFFFAOYSA-N 1 1 194.303 2.401 10 0 AEAEMO c1nc2c(s1)C[N@H+](C1CCCC1)C2 1257354446 1170009029 /nfs/dbraw/zinc/00/90/29/1170009029.db2.gz DGTKQGWXSHKXAU-UHFFFAOYSA-N 1 1 194.303 2.401 10 0 AEAEMO C[C@H]1CC[N@H+]1C1CCCC1 1257350030 1170009430 /nfs/dbraw/zinc/00/94/30/1170009430.db2.gz CBCFCSKQHNKMTG-QMMMGPOBSA-N 1 1 139.242 2.023 10 0 AEAEMO C1CCC([N@H+]2CC[C@@H]3CCO[C@H]3C2)C1 1257350296 1170011140 /nfs/dbraw/zinc/01/11/40/1170011140.db2.gz IRPOSDGTUJGFBX-PWSUYJOCSA-N 1 1 195.306 2.040 10 0 AEAEMO C[C@@H]1CC[N@H+]1C1CCCC1 1257350025 1170011157 /nfs/dbraw/zinc/01/11/57/1170011157.db2.gz CBCFCSKQHNKMTG-MRVPVSSYSA-N 1 1 139.242 2.023 10 0 AEAEMO CCCC[C@H](CC)[N@@H+](C)CC(C)=O 1257418911 1170016383 /nfs/dbraw/zinc/01/63/83/1170016383.db2.gz PTCJLYYWYIJLCU-NSHDSACASA-N 1 1 185.311 2.476 10 0 AEAEMO CCCC[C@@H](CC)[N@@H+](C)CC(C)=O 1257418910 1170017488 /nfs/dbraw/zinc/01/74/88/1170017488.db2.gz PTCJLYYWYIJLCU-LLVKDONJSA-N 1 1 185.311 2.476 10 0 AEAEMO CCCC[C@@H](CC)[N@@H+]1CCC(=O)C1 1257423416 1170017908 /nfs/dbraw/zinc/01/79/08/1170017908.db2.gz PINGTBJOLWWHJH-SNVBAGLBSA-N 1 1 183.295 2.230 10 0 AEAEMO CCCC[C@@H](CC)[N@H+]1CCC(=O)C1 1257423416 1170017915 /nfs/dbraw/zinc/01/79/15/1170017915.db2.gz PINGTBJOLWWHJH-SNVBAGLBSA-N 1 1 183.295 2.230 10 0 AEAEMO CCCC[C@H](CC)[N@@H+]1CCC(=O)C1 1257423415 1170019099 /nfs/dbraw/zinc/01/90/99/1170019099.db2.gz PINGTBJOLWWHJH-JTQLQIEISA-N 1 1 183.295 2.230 10 0 AEAEMO CCCC[C@H](CC)[N@H+]1CCC(=O)C1 1257423415 1170019109 /nfs/dbraw/zinc/01/91/09/1170019109.db2.gz PINGTBJOLWWHJH-JTQLQIEISA-N 1 1 183.295 2.230 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 1257437272 1170026254 /nfs/dbraw/zinc/02/62/54/1170026254.db2.gz GOHATCBNJAQOAQ-TUAOUCFPSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@H](C)[N@H+]1CCCC[C@H]1COC 1257438187 1170026442 /nfs/dbraw/zinc/02/64/42/1170026442.db2.gz SIIZXHNILOFOTC-QWRGUYRKSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@H](F)C[C@H]1C 1257438175 1170027196 /nfs/dbraw/zinc/02/71/96/1170027196.db2.gz SFYCRTFBYVQLJJ-DJLDLDEBSA-N 1 1 159.248 2.217 10 0 AEAEMO CC[C@@H](C)[N@H+]1Cc2cccnc2C1 1257436773 1170027738 /nfs/dbraw/zinc/02/77/38/1170027738.db2.gz VDKCLMRTODELCF-SECBINFHSA-N 1 1 176.263 2.196 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@@H](F)C[C@H]1C 1257438184 1170027858 /nfs/dbraw/zinc/02/78/58/1170027858.db2.gz SFYCRTFBYVQLJJ-YIZRAAEISA-N 1 1 159.248 2.217 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCCC12CC2 1257437423 1170028138 /nfs/dbraw/zinc/02/81/38/1170028138.db2.gz IEGYCZDLEIORJD-SECBINFHSA-N 1 1 153.269 2.413 10 0 AEAEMO CC[C@H](C)[N@H+]1Cc2cccnc2C1 1257436776 1170028265 /nfs/dbraw/zinc/02/82/65/1170028265.db2.gz VDKCLMRTODELCF-VIFPVBQESA-N 1 1 176.263 2.196 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCCC[C@H]1COC 1257438186 1170028536 /nfs/dbraw/zinc/02/85/36/1170028536.db2.gz SIIZXHNILOFOTC-MNOVXSKESA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCCC[C@@H]1COC 1257438185 1170029037 /nfs/dbraw/zinc/02/90/37/1170029037.db2.gz SIIZXHNILOFOTC-GHMZBOCLSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@H]2OCCC[C@H]2C1 1257437270 1170029379 /nfs/dbraw/zinc/02/93/79/1170029379.db2.gz GOHATCBNJAQOAQ-SDDRHHMPSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@H]2OCCC[C@@H]2C1 1257437269 1170029676 /nfs/dbraw/zinc/02/96/76/1170029676.db2.gz GOHATCBNJAQOAQ-QJPTWQEYSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@H](C)[N@H+]1CCCC12CC2 1257437424 1170029712 /nfs/dbraw/zinc/02/97/12/1170029712.db2.gz IEGYCZDLEIORJD-VIFPVBQESA-N 1 1 153.269 2.413 10 0 AEAEMO CC[C@H](C)[N@H+]1CCCC[C@@H]1COC 1257438188 1170029888 /nfs/dbraw/zinc/02/98/88/1170029888.db2.gz SIIZXHNILOFOTC-WDEREUQCSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@@H]2OCCC[C@H]2C1 1257437271 1170029941 /nfs/dbraw/zinc/02/99/41/1170029941.db2.gz GOHATCBNJAQOAQ-SRVKXCTJSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@H](OC(C)C)C1 1257444351 1170030732 /nfs/dbraw/zinc/03/07/32/1170030732.db2.gz TXZQUIXZBKCHDX-QWRGUYRKSA-N 1 1 185.311 2.284 10 0 AEAEMO CCCO[C@@H]1CC[N@H+]([C@@H](C)CC)C1 1257443692 1170031104 /nfs/dbraw/zinc/03/11/04/1170031104.db2.gz VLJFUSOOOHYUTH-WDEREUQCSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCC2(CC2)C1 1257440529 1170031139 /nfs/dbraw/zinc/03/11/39/1170031139.db2.gz RJWGWUIYXJLOSE-SECBINFHSA-N 1 1 153.269 2.271 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCCCC12COC2 1257443865 1170031995 /nfs/dbraw/zinc/03/19/95/1170031995.db2.gz YQUTZLVVLHALAP-SNVBAGLBSA-N 1 1 183.295 2.040 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)C1CCOCC1 1257443203 1170032606 /nfs/dbraw/zinc/03/26/06/1170032606.db2.gz RYAHETCJSLNVTP-JTQLQIEISA-N 1 1 185.311 2.286 10 0 AEAEMO CCCO[C@@H]1CC[N@H+]([C@H](C)CC)C1 1257443689 1170032646 /nfs/dbraw/zinc/03/26/46/1170032646.db2.gz VLJFUSOOOHYUTH-GHMZBOCLSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)C1CCOCC1 1257443204 1170033049 /nfs/dbraw/zinc/03/30/49/1170033049.db2.gz RYAHETCJSLNVTP-SNVBAGLBSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@H](C)[N@H+]1CCCCC12COC2 1257443863 1170033082 /nfs/dbraw/zinc/03/30/82/1170033082.db2.gz YQUTZLVVLHALAP-JTQLQIEISA-N 1 1 183.295 2.040 10 0 AEAEMO CCCO[C@H]1CC[N@H+]([C@H](C)CC)C1 1257443690 1170033815 /nfs/dbraw/zinc/03/38/15/1170033815.db2.gz VLJFUSOOOHYUTH-MNOVXSKESA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC2(CC2)C1 1257440531 1170034174 /nfs/dbraw/zinc/03/41/74/1170034174.db2.gz RJWGWUIYXJLOSE-VIFPVBQESA-N 1 1 153.269 2.271 10 0 AEAEMO CCCO[C@H]1CC[N@H+]([C@@H](C)CC)C1 1257443691 1170034474 /nfs/dbraw/zinc/03/44/74/1170034474.db2.gz VLJFUSOOOHYUTH-QWRGUYRKSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@@H](C)[N@H+]1CC[C@H](OC(C)C)C1 1257444350 1170034486 /nfs/dbraw/zinc/03/44/86/1170034486.db2.gz TXZQUIXZBKCHDX-MNOVXSKESA-N 1 1 185.311 2.284 10 0 AEAEMO FC1(F)C[C@@H]1[NH2+]C1CCCCC1 1257449109 1170035111 /nfs/dbraw/zinc/03/51/11/1170035111.db2.gz STYSGMQWMMRNLP-QMMMGPOBSA-N 1 1 175.222 2.316 10 0 AEAEMO C[C@H]1CC[N@H+]1C1CCCCC1 1257455070 1170035518 /nfs/dbraw/zinc/03/55/18/1170035518.db2.gz WSFGOFJQSISPSM-VIFPVBQESA-N 1 1 153.269 2.413 10 0 AEAEMO CC[C@@H]1COCC[N@H+]1C1CCCCC1 1257458865 1170035886 /nfs/dbraw/zinc/03/58/86/1170035886.db2.gz FDJHQMOQYNXNKB-LLVKDONJSA-N 1 1 197.322 2.430 10 0 AEAEMO CC[C@H]1COCC[N@H+]1C1CCCCC1 1257458866 1170036588 /nfs/dbraw/zinc/03/65/88/1170036588.db2.gz FDJHQMOQYNXNKB-NSHDSACASA-N 1 1 197.322 2.430 10 0 AEAEMO FC1(F)C[C@H]1[NH2+]C1CCCCC1 1257449108 1170036709 /nfs/dbraw/zinc/03/67/09/1170036709.db2.gz STYSGMQWMMRNLP-MRVPVSSYSA-N 1 1 175.222 2.316 10 0 AEAEMO C[C@@H]1CC[N@H+]1C1CCCCC1 1257455069 1170037270 /nfs/dbraw/zinc/03/72/70/1170037270.db2.gz WSFGOFJQSISPSM-SECBINFHSA-N 1 1 153.269 2.413 10 0 AEAEMO C[N@@H+](C1CCCCC1)C1(C)COC1 1257458881 1170037699 /nfs/dbraw/zinc/03/76/99/1170037699.db2.gz FOTIWHRUTHHPGD-UHFFFAOYSA-N 1 1 183.295 2.040 10 0 AEAEMO CC(C)=CCC[C@H](C)[N@@H+]1CC[C@H](N)C1 1258078663 1170050127 /nfs/dbraw/zinc/05/01/27/1170050127.db2.gz GKWJDATYBNKJEV-RYUDHWBXSA-N 1 1 196.338 2.154 10 0 AEAEMO CC(C)=CCC[C@H](C)[N@H+]1CC[C@H](N)C1 1258078663 1170050135 /nfs/dbraw/zinc/05/01/35/1170050135.db2.gz GKWJDATYBNKJEV-RYUDHWBXSA-N 1 1 196.338 2.154 10 0 AEAEMO CC(C)=CCC[C@@H](C)[N@@H+]1CC[C@@H](N)C1 1258078666 1170050226 /nfs/dbraw/zinc/05/02/26/1170050226.db2.gz GKWJDATYBNKJEV-VXGBXAGGSA-N 1 1 196.338 2.154 10 0 AEAEMO CC(C)=CCC[C@@H](C)[N@H+]1CC[C@@H](N)C1 1258078666 1170050230 /nfs/dbraw/zinc/05/02/30/1170050230.db2.gz GKWJDATYBNKJEV-VXGBXAGGSA-N 1 1 196.338 2.154 10 0 AEAEMO CC(C)=CCC[C@H](C)[N@@H+]1CC[C@@H](N)C1 1258078662 1170052024 /nfs/dbraw/zinc/05/20/24/1170052024.db2.gz GKWJDATYBNKJEV-NWDGAFQWSA-N 1 1 196.338 2.154 10 0 AEAEMO CC(C)=CCC[C@H](C)[N@H+]1CC[C@@H](N)C1 1258078662 1170052031 /nfs/dbraw/zinc/05/20/31/1170052031.db2.gz GKWJDATYBNKJEV-NWDGAFQWSA-N 1 1 196.338 2.154 10 0 AEAEMO CC(C)=CCC[C@@H](C)[N@@H+]1CC[C@H](N)C1 1258078660 1170052986 /nfs/dbraw/zinc/05/29/86/1170052986.db2.gz GKWJDATYBNKJEV-NEPJUHHUSA-N 1 1 196.338 2.154 10 0 AEAEMO CC(C)=CCC[C@@H](C)[N@H+]1CC[C@H](N)C1 1258078660 1170052992 /nfs/dbraw/zinc/05/29/92/1170052992.db2.gz GKWJDATYBNKJEV-NEPJUHHUSA-N 1 1 196.338 2.154 10 0 AEAEMO C[C@@H](CC1CC1)[NH2+][C@H]1CC1(F)F 1258447976 1170065744 /nfs/dbraw/zinc/06/57/44/1170065744.db2.gz JMJPEDNHPGTWCZ-XPUUQOCRSA-N 1 1 175.222 2.172 10 0 AEAEMO CCC[N@@H+](CCC[NH3+])[C@H](C)CC1CC1 1258447054 1170066124 /nfs/dbraw/zinc/06/61/24/1170066124.db2.gz JADJINUHSJWENH-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@H](CC1CC1)[NH2+][C@@H]1CC1(F)F 1258447971 1170066296 /nfs/dbraw/zinc/06/62/96/1170066296.db2.gz JMJPEDNHPGTWCZ-HTRCEHHLSA-N 1 1 175.222 2.172 10 0 AEAEMO C[C@@H](CC1CC1)[NH2+][C@@H]1CC1(F)F 1258447974 1170066536 /nfs/dbraw/zinc/06/65/36/1170066536.db2.gz JMJPEDNHPGTWCZ-POYBYMJQSA-N 1 1 175.222 2.172 10 0 AEAEMO CC(C)[N@@H+](CCC[NH3+])[C@H](C)CC1CC1 1258448271 1170066923 /nfs/dbraw/zinc/06/69/23/1170066923.db2.gz HBXCYUGPEQHCBC-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+](CCC[NH3+])[C@@H](C)CC1CC1 1258447055 1170067111 /nfs/dbraw/zinc/06/71/11/1170067111.db2.gz JADJINUHSJWENH-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@H](CC1CC1)[NH2+][C@H]1CC1(F)F 1258447975 1170067414 /nfs/dbraw/zinc/06/74/14/1170067414.db2.gz JMJPEDNHPGTWCZ-SVRRBLITSA-N 1 1 175.222 2.172 10 0 AEAEMO CC(C)[N@@H+](CCC[NH3+])[C@@H](C)CC1CC1 1258448272 1170068244 /nfs/dbraw/zinc/06/82/44/1170068244.db2.gz HBXCYUGPEQHCBC-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]1C[N@H+]([C@H](C)CC2CC2)C[C@@H](C)O1 1258456729 1170069024 /nfs/dbraw/zinc/06/90/24/1170069024.db2.gz ANPUKBAIAVNTQG-MXWKQRLJSA-N 1 1 197.322 2.284 10 0 AEAEMO C[C@H](CC1CC1)[N@H+]1CCOC(C)(C)C1 1258457478 1170068952 /nfs/dbraw/zinc/06/89/52/1170068952.db2.gz IAOACFCXKQBYFW-SNVBAGLBSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@H]1C[N@H+]([C@@H](C)CC2CC2)C[C@@H](C)O1 1258456726 1170069308 /nfs/dbraw/zinc/06/93/08/1170069308.db2.gz ANPUKBAIAVNTQG-GARJFASQSA-N 1 1 197.322 2.284 10 0 AEAEMO CC[N@@H+](CCOC)[C@H](C)CC1CC1 1258457691 1170069449 /nfs/dbraw/zinc/06/94/49/1170069449.db2.gz JURQCQBKYIMKJK-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[N@@H+](CCOC)[C@@H](C)CC1CC1 1258457690 1170069989 /nfs/dbraw/zinc/06/99/89/1170069989.db2.gz JURQCQBKYIMKJK-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1C[C@@H]2CC[C@H](C1)O2 1258457105 1170070718 /nfs/dbraw/zinc/07/07/18/1170070718.db2.gz FIPXAISYVYTWCL-ZMLRMANQSA-N 1 1 195.306 2.038 10 0 AEAEMO C[C@H](CC1CC1)[N@H+]1C[C@@H]2CC[C@H](C1)O2 1258457104 1170071101 /nfs/dbraw/zinc/07/11/01/1170071101.db2.gz FIPXAISYVYTWCL-JLLWLGSASA-N 1 1 195.306 2.038 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1CCOC(C)(C)C1 1258457477 1170071367 /nfs/dbraw/zinc/07/13/67/1170071367.db2.gz IAOACFCXKQBYFW-JTQLQIEISA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1C[C@@H](O)CC[C@H]1C 1258461140 1170071886 /nfs/dbraw/zinc/07/18/86/1170071886.db2.gz HTJGBJPGPHDGGZ-SCVCMEIPSA-N 1 1 197.322 2.020 10 0 AEAEMO CC[N@@H+](CCN(C)C)[C@H](C)CC1CC1 1258458092 1170071949 /nfs/dbraw/zinc/07/19/49/1170071949.db2.gz PJGAZJHPRASBRE-LLVKDONJSA-N 1 1 198.354 2.059 10 0 AEAEMO C[C@@H]1CC[C@@H](O)C[N@@H+]1[C@H](C)CC1CC1 1258461137 1170071966 /nfs/dbraw/zinc/07/19/66/1170071966.db2.gz HTJGBJPGPHDGGZ-CKYFFXLPSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1CC[C@H]1C 1258460181 1170072012 /nfs/dbraw/zinc/07/20/12/1170072012.db2.gz AUNAWEMJQFQKMK-BDAKNGLRSA-N 1 1 153.269 2.269 10 0 AEAEMO C[C@H](CC1CC1)[N@H+]1CCCC[C@H]1CO 1258458156 1170072036 /nfs/dbraw/zinc/07/20/36/1170072036.db2.gz QUEXETUOJQTJFN-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1CCCC(=O)CC1 1258460757 1170072087 /nfs/dbraw/zinc/07/20/87/1170072087.db2.gz JZUHYHYRBGTKKL-JTQLQIEISA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1CCCC[C@H]1CO 1258458155 1170072101 /nfs/dbraw/zinc/07/21/01/1170072101.db2.gz QUEXETUOJQTJFN-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1CC[N@@H+]1[C@H](C)CC1CC1 1258460182 1170072266 /nfs/dbraw/zinc/07/22/66/1170072266.db2.gz AUNAWEMJQFQKMK-DTWKUNHWSA-N 1 1 153.269 2.269 10 0 AEAEMO CC[N@@H+](CCN(C)C)[C@@H](C)CC1CC1 1258458107 1170072356 /nfs/dbraw/zinc/07/23/56/1170072356.db2.gz PJGAZJHPRASBRE-NSHDSACASA-N 1 1 198.354 2.059 10 0 AEAEMO CO[C@H]1CCC[N@H+]([C@H](C)CC2CC2)C1 1258458703 1170072375 /nfs/dbraw/zinc/07/23/75/1170072375.db2.gz YLGJKKPDZROZET-PWSUYJOCSA-N 1 1 197.322 2.286 10 0 AEAEMO COC[C@@H]1CCC[N@H+]1[C@H](C)CC1CC1 1258458289 1170072406 /nfs/dbraw/zinc/07/24/06/1170072406.db2.gz RVDCNIDTEPDOJK-PWSUYJOCSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1CCCC[C@@H](O)C1 1258461569 1170072529 /nfs/dbraw/zinc/07/25/29/1170072529.db2.gz JNQRSIGQGOIIOT-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H](CC1CC1)[N@H+]1CCCC[C@@H](O)C1 1258461573 1170072572 /nfs/dbraw/zinc/07/25/72/1170072572.db2.gz JNQRSIGQGOIIOT-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H](CC1CC1)[NH+]1C[C@@H](F)[C@H](F)C1 1258464439 1170072587 /nfs/dbraw/zinc/07/25/87/1170072587.db2.gz KCPGLDUSBBIOOQ-FXBDTBDDSA-N 1 1 189.249 2.167 10 0 AEAEMO C[C@@H]1COCC[N@H+]([C@H](C)CC2CC2)C1 1258465117 1170072659 /nfs/dbraw/zinc/07/26/59/1170072659.db2.gz NSGLFTIHXJSQEK-WDEREUQCSA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@@H]1C[N@H+]([C@H](C)CC2CC2)C[C@@H]1F 1258461062 1170072686 /nfs/dbraw/zinc/07/26/86/1170072686.db2.gz HACPLGGARMNJMM-KKZNHRDASA-N 1 1 185.286 2.465 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1CC[C@@H](F)C1 1258465258 1170072848 /nfs/dbraw/zinc/07/28/48/1170072848.db2.gz ZDYGWHUYRVSZLT-WCBMZHEXSA-N 1 1 171.259 2.219 10 0 AEAEMO CO[C@@H]1CCC[N@H+]([C@@H](C)CC2CC2)C1 1258458701 1170072880 /nfs/dbraw/zinc/07/28/80/1170072880.db2.gz YLGJKKPDZROZET-CMPLNLGQSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H]1CC[N@@H+]1[C@H](C)CC1CC1 1258460184 1170072985 /nfs/dbraw/zinc/07/29/85/1170072985.db2.gz AUNAWEMJQFQKMK-RKDXNWHRSA-N 1 1 153.269 2.269 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1CCOC[C@H](C)C1 1258465113 1170073176 /nfs/dbraw/zinc/07/31/76/1170073176.db2.gz NSGLFTIHXJSQEK-MNOVXSKESA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@H](CC1CC1)[N@H+]1CCCC(=O)CC1 1258460758 1170073198 /nfs/dbraw/zinc/07/31/98/1170073198.db2.gz JZUHYHYRBGTKKL-SNVBAGLBSA-N 1 1 195.306 2.230 10 0 AEAEMO CO[C@@H]1CCC[N@H+]([C@H](C)CC2CC2)C1 1258458704 1170073413 /nfs/dbraw/zinc/07/34/13/1170073413.db2.gz YLGJKKPDZROZET-ZYHUDNBSSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1C[C@@H](C)[C@@H](F)C1 1258461064 1170073456 /nfs/dbraw/zinc/07/34/56/1170073456.db2.gz HACPLGGARMNJMM-YWVKMMECSA-N 1 1 185.286 2.465 10 0 AEAEMO C[C@@H]1CC[C@H](O)C[N@@H+]1[C@H](C)CC1CC1 1258461138 1170073531 /nfs/dbraw/zinc/07/35/31/1170073531.db2.gz HTJGBJPGPHDGGZ-FOGDFJRCSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@H](CC1CC1)[N@H+]1CC[C@@H](F)C1 1258465257 1170073631 /nfs/dbraw/zinc/07/36/31/1170073631.db2.gz ZDYGWHUYRVSZLT-PSASIEDQSA-N 1 1 171.259 2.219 10 0 AEAEMO C[C@H](CC1CC1)[NH+]1C[C@@H](F)[C@H](F)C1 1258464443 1170073710 /nfs/dbraw/zinc/07/37/10/1170073710.db2.gz KCPGLDUSBBIOOQ-SZEHBUNVSA-N 1 1 189.249 2.167 10 0 AEAEMO COC[C@H]1CCC[N@H+]1[C@H](C)CC1CC1 1258458290 1170073720 /nfs/dbraw/zinc/07/37/20/1170073720.db2.gz RVDCNIDTEPDOJK-ZYHUDNBSSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@H](CC1CC1)[N@H+]1CCCC[C@H](O)C1 1258461572 1170073839 /nfs/dbraw/zinc/07/38/39/1170073839.db2.gz JNQRSIGQGOIIOT-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H](CC1CC1)[N@H+]1CCCC[C@@H]1CO 1258458157 1170073941 /nfs/dbraw/zinc/07/39/41/1170073941.db2.gz QUEXETUOJQTJFN-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H](CC1CC1)[N@@H+]1C[C@H]2C[C@H]2C1 1258466292 1170074073 /nfs/dbraw/zinc/07/40/73/1170074073.db2.gz VELAOXVSJCCLIW-INTQDDNPSA-N 1 1 165.280 2.127 10 0 AEAEMO C[C@H]1CC[N@@H+]1[C@@H](C)CC1CC1 1258460183 1170074139 /nfs/dbraw/zinc/07/41/39/1170074139.db2.gz AUNAWEMJQFQKMK-IUCAKERBSA-N 1 1 153.269 2.269 10 0 AEAEMO C[C@H](CC1CC1)[N@H+]1CCOCC1(C)C 1258463716 1170074178 /nfs/dbraw/zinc/07/41/78/1170074178.db2.gz CMHRHBJMWOIHQZ-SNVBAGLBSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@H](CC1CC1)[N@@H+]1C[C@H](F)[C@H](F)C1 1258464442 1170074252 /nfs/dbraw/zinc/07/42/52/1170074252.db2.gz KCPGLDUSBBIOOQ-QNSHHTMESA-N 1 1 189.249 2.167 10 0 AEAEMO C[C@H](CC1CC1)[N@H+]1C[C@H](F)[C@H](F)C1 1258464442 1170074256 /nfs/dbraw/zinc/07/42/56/1170074256.db2.gz KCPGLDUSBBIOOQ-QNSHHTMESA-N 1 1 189.249 2.167 10 0 AEAEMO C[C@@H]1COCC[N@H+]([C@@H](C)CC2CC2)C1 1258465115 1170074357 /nfs/dbraw/zinc/07/43/57/1170074357.db2.gz NSGLFTIHXJSQEK-QWRGUYRKSA-N 1 1 197.322 2.143 10 0 AEAEMO COC[C@H]1CCC[N@H+]1[C@@H](C)CC1CC1 1258458287 1170074386 /nfs/dbraw/zinc/07/43/86/1170074386.db2.gz RVDCNIDTEPDOJK-CMPLNLGQSA-N 1 1 197.322 2.286 10 0 AEAEMO COC[C@@H]1CCC[N@H+]1[C@@H](C)CC1CC1 1258458288 1170074740 /nfs/dbraw/zinc/07/47/40/1170074740.db2.gz RVDCNIDTEPDOJK-JQWIXIFHSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1CCOCC1(C)C 1258463714 1170074751 /nfs/dbraw/zinc/07/47/51/1170074751.db2.gz CMHRHBJMWOIHQZ-JTQLQIEISA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1C[C@H](O)CC[C@H]1C 1258461139 1170074835 /nfs/dbraw/zinc/07/48/35/1170074835.db2.gz HTJGBJPGPHDGGZ-JFGNBEQYSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@H](CC1CC1)[N@@H+]1C[C@H]2C[C@H]2C1 1258466291 1170074931 /nfs/dbraw/zinc/07/49/31/1170074931.db2.gz VELAOXVSJCCLIW-IEBDPFPHSA-N 1 1 165.280 2.127 10 0 AEAEMO CC[C@H]1COCC[N@H+]1[C@H](C)CC1CC1 1258467746 1170076107 /nfs/dbraw/zinc/07/61/07/1170076107.db2.gz LWDXOPSVTDEDMD-PWSUYJOCSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1CCCC[C@@H]1CO 1258458154 1170075236 /nfs/dbraw/zinc/07/52/36/1170075236.db2.gz QUEXETUOJQTJFN-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1CCCC[C@H](O)C1 1258461570 1170075435 /nfs/dbraw/zinc/07/54/35/1170075435.db2.gz JNQRSIGQGOIIOT-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H](CC1CC1)[N@@H+]1C[C@H](F)[C@H](F)C1 1258464444 1170075537 /nfs/dbraw/zinc/07/55/37/1170075537.db2.gz KCPGLDUSBBIOOQ-UJNFCWOMSA-N 1 1 189.249 2.167 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1C[C@H](F)[C@H](F)C1 1258464444 1170075545 /nfs/dbraw/zinc/07/55/45/1170075545.db2.gz KCPGLDUSBBIOOQ-UJNFCWOMSA-N 1 1 189.249 2.167 10 0 AEAEMO CO[C@H]1CCC[N@H+]([C@@H](C)CC2CC2)C1 1258458702 1170075608 /nfs/dbraw/zinc/07/56/08/1170075608.db2.gz YLGJKKPDZROZET-JQWIXIFHSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@H]1COCC[N@H+]([C@H](C)CC2CC2)C1 1258465112 1170075659 /nfs/dbraw/zinc/07/56/59/1170075659.db2.gz NSGLFTIHXJSQEK-GHMZBOCLSA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1CC[C@@H](O)C[C@H]1C 1258467579 1170075879 /nfs/dbraw/zinc/07/58/79/1170075879.db2.gz IXVAZGSUTLDQMY-HOSYDEDBSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@@H](CC1CC1)[NH+]1CC(C)(F)C1 1258466595 1170075956 /nfs/dbraw/zinc/07/59/56/1170075956.db2.gz XSIJFRTYGJBKGZ-QMMMGPOBSA-N 1 1 171.259 2.219 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1CCC[C@](C)(O)C1 1258467534 1170075970 /nfs/dbraw/zinc/07/59/70/1170075970.db2.gz IAYYTQZRUVIBCR-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H](CC1CC1)[N@H+]1CC[C@]12CCOC2 1258470057 1170076039 /nfs/dbraw/zinc/07/60/39/1170076039.db2.gz KTYLLHCHPNIVGO-ZYHUDNBSSA-N 1 1 195.306 2.040 10 0 AEAEMO CC[N@@H+](CC(C)(C)O)[C@@H](C)CC1CC1 1258471407 1170076159 /nfs/dbraw/zinc/07/61/59/1170076159.db2.gz CMCIXXGPIHVFDM-JTQLQIEISA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H]1COCC[N@H+]1[C@H](C)CC1CC1 1258467747 1170076318 /nfs/dbraw/zinc/07/63/18/1170076318.db2.gz LWDXOPSVTDEDMD-ZYHUDNBSSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1CCC[C@H](O)CC1 1258466623 1170076520 /nfs/dbraw/zinc/07/65/20/1170076520.db2.gz YLGLPTRMMDILKJ-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO COC[C@H]1CC[N@H+]([C@@H](C)CC2CC2)C1 1258466657 1170076531 /nfs/dbraw/zinc/07/65/31/1170076531.db2.gz YSZSQUJNAPNIMC-JQWIXIFHSA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@H](CC1CC1)[N@H+]1CCC[C@H](O)CC1 1258466624 1170076562 /nfs/dbraw/zinc/07/65/62/1170076562.db2.gz YLGLPTRMMDILKJ-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H](CC1CC1)[N@H+]1CCC[C@@H](O)CC1 1258466625 1170076597 /nfs/dbraw/zinc/07/65/97/1170076597.db2.gz YLGLPTRMMDILKJ-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1CO[C@H](C)C[N@@H+]1[C@H](C)CC1CC1 1258470320 1170076663 /nfs/dbraw/zinc/07/66/63/1170076663.db2.gz NKFSWBNINHAHJL-OUAUKWLOSA-N 1 1 197.322 2.284 10 0 AEAEMO CC(=O)[C@@H]1CC[N@H+]([C@H](C)CC2CC2)C1 1258470183 1170076699 /nfs/dbraw/zinc/07/66/99/1170076699.db2.gz LYYVVDOVVLZXDL-BXKDBHETSA-N 1 1 195.306 2.086 10 0 AEAEMO CC(C)[N@@H+](CCCO)[C@H](C)CC1CC1 1258468427 1170076729 /nfs/dbraw/zinc/07/67/29/1170076729.db2.gz XSSSYZPXXIESHA-LLVKDONJSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H]1C[N@@H+]([C@H](C)CC2CC2)CCCO1 1258466824 1170076784 /nfs/dbraw/zinc/07/67/84/1170076784.db2.gz ZJLIVFSAWGOWGW-MNOVXSKESA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1CCC[C@@](C)(O)C1 1258467533 1170076849 /nfs/dbraw/zinc/07/68/49/1170076849.db2.gz IAYYTQZRUVIBCR-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H](CC1CC1)[N@H+]1CC[C@H](F)C1 1258466817 1170076865 /nfs/dbraw/zinc/07/68/65/1170076865.db2.gz ZDYGWHUYRVSZLT-SCZZXKLOSA-N 1 1 171.259 2.219 10 0 AEAEMO COC[C@@H]1CC[N@H+]([C@H](C)CC2CC2)C1 1258466659 1170076916 /nfs/dbraw/zinc/07/69/16/1170076916.db2.gz YSZSQUJNAPNIMC-ZYHUDNBSSA-N 1 1 197.322 2.143 10 0 AEAEMO CC(=O)[C@@H]1CC[N@H+]([C@@H](C)CC2CC2)C1 1258470185 1170076970 /nfs/dbraw/zinc/07/69/70/1170076970.db2.gz LYYVVDOVVLZXDL-JOYOIKCWSA-N 1 1 195.306 2.086 10 0 AEAEMO COC[C@@H]1CC[N@H+]([C@@H](C)CC2CC2)C1 1258466656 1170076989 /nfs/dbraw/zinc/07/69/89/1170076989.db2.gz YSZSQUJNAPNIMC-CMPLNLGQSA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@H](CC1CC1)[N@H+]1CCC[C@@](C)(O)C1 1258467536 1170077049 /nfs/dbraw/zinc/07/70/49/1170077049.db2.gz IAYYTQZRUVIBCR-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)[N@@H+](CCCO)[C@@H](C)CC1CC1 1258468429 1170077105 /nfs/dbraw/zinc/07/71/05/1170077105.db2.gz XSSSYZPXXIESHA-NSHDSACASA-N 1 1 199.338 2.268 10 0 AEAEMO CC(=O)[C@H]1CC[N@H+]([C@H](C)CC2CC2)C1 1258470186 1170077129 /nfs/dbraw/zinc/07/71/29/1170077129.db2.gz LYYVVDOVVLZXDL-SKDRFNHKSA-N 1 1 195.306 2.086 10 0 AEAEMO COC[C@H]1CC[N@H+]([C@H](C)CC2CC2)C1 1258466658 1170077182 /nfs/dbraw/zinc/07/71/82/1170077182.db2.gz YSZSQUJNAPNIMC-PWSUYJOCSA-N 1 1 197.322 2.143 10 0 AEAEMO CCO[C@@H]1CC[N@H+]([C@@H](C)CC2CC2)C1 1258469621 1170077220 /nfs/dbraw/zinc/07/72/20/1170077220.db2.gz GHRUXVIZIFOXAH-CMPLNLGQSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@H](CC1CC1)[N@H+]1CC[C@H](O)C[C@H]1C 1258467578 1170077275 /nfs/dbraw/zinc/07/72/75/1170077275.db2.gz IXVAZGSUTLDQMY-FOGDFJRCSA-N 1 1 197.322 2.020 10 0 AEAEMO CC(=O)[C@H]1CC[N@H+]([C@@H](C)CC2CC2)C1 1258470184 1170077289 /nfs/dbraw/zinc/07/72/89/1170077289.db2.gz LYYVVDOVVLZXDL-CABZTGNLSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1CCC[C@@H](O)CC1 1258466622 1170077409 /nfs/dbraw/zinc/07/74/09/1170077409.db2.gz YLGLPTRMMDILKJ-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H]1COCC[N@H+]1[C@@H](C)CC1CC1 1258467744 1170077432 /nfs/dbraw/zinc/07/74/32/1170077432.db2.gz LWDXOPSVTDEDMD-CMPLNLGQSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@H]1C[N@@H+]([C@@H](C)CC2CC2)CCCO1 1258466825 1170077538 /nfs/dbraw/zinc/07/75/38/1170077538.db2.gz ZJLIVFSAWGOWGW-QWRGUYRKSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1CCOC2(CC2)C1 1258470193 1170077588 /nfs/dbraw/zinc/07/75/88/1170077588.db2.gz MDVOOIPYVHLBRC-JTQLQIEISA-N 1 1 195.306 2.040 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1CC[C@]12CCOC2 1258470050 1170077690 /nfs/dbraw/zinc/07/76/90/1170077690.db2.gz KTYLLHCHPNIVGO-CMPLNLGQSA-N 1 1 195.306 2.040 10 0 AEAEMO C[C@H](CC1CC1)[N@H+]1CCC[C@](C)(O)C1 1258467535 1170077804 /nfs/dbraw/zinc/07/78/04/1170077804.db2.gz IAYYTQZRUVIBCR-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1CCCO[C@H](C)C1 1258466826 1170077877 /nfs/dbraw/zinc/07/78/77/1170077877.db2.gz ZJLIVFSAWGOWGW-WDEREUQCSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1CC[C@H](F)C1 1258466818 1170077938 /nfs/dbraw/zinc/07/79/38/1170077938.db2.gz ZDYGWHUYRVSZLT-WPRPVWTQSA-N 1 1 171.259 2.219 10 0 AEAEMO C[C@H](CC1CC1)[N@H+]1CC[C@@H](O)C[C@H]1C 1258467577 1170078112 /nfs/dbraw/zinc/07/81/12/1170078112.db2.gz IXVAZGSUTLDQMY-CKYFFXLPSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@H](CC1CC1)[NH+]1CC(C)(F)C1 1258466594 1170078259 /nfs/dbraw/zinc/07/82/59/1170078259.db2.gz XSIJFRTYGJBKGZ-MRVPVSSYSA-N 1 1 171.259 2.219 10 0 AEAEMO CCO[C@@H]1CC[N@H+]([C@H](C)CC2CC2)C1 1258469622 1170078274 /nfs/dbraw/zinc/07/82/74/1170078274.db2.gz GHRUXVIZIFOXAH-ZYHUDNBSSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H]1C[N@@H+]([C@H](C)CC2CC2)CCCO1 1258466823 1170078416 /nfs/dbraw/zinc/07/84/16/1170078416.db2.gz ZJLIVFSAWGOWGW-GHMZBOCLSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1CC[C@@]12CCOC2 1258470052 1170078465 /nfs/dbraw/zinc/07/84/65/1170078465.db2.gz KTYLLHCHPNIVGO-JQWIXIFHSA-N 1 1 195.306 2.040 10 0 AEAEMO C[C@H](CC1CC1)[N@H+]1CC[C@@]12CCOC2 1258470054 1170078538 /nfs/dbraw/zinc/07/85/38/1170078538.db2.gz KTYLLHCHPNIVGO-PWSUYJOCSA-N 1 1 195.306 2.040 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1CC[C@H](O)C[C@H]1C 1258467580 1170078552 /nfs/dbraw/zinc/07/85/52/1170078552.db2.gz IXVAZGSUTLDQMY-UMNHJUIQSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@H]1CO[C@H](C)C[N@@H+]1[C@@H](C)CC1CC1 1258470319 1170078441 /nfs/dbraw/zinc/07/84/41/1170078441.db2.gz NKFSWBNINHAHJL-GARJFASQSA-N 1 1 197.322 2.284 10 0 AEAEMO CC[C@H]1COCC[N@H+]1[C@@H](C)CC1CC1 1258467745 1170078788 /nfs/dbraw/zinc/07/87/88/1170078788.db2.gz LWDXOPSVTDEDMD-JQWIXIFHSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@H](CC1CC1)[N@H+]1CCOC2(CC2)C1 1258470194 1170078898 /nfs/dbraw/zinc/07/88/98/1170078898.db2.gz MDVOOIPYVHLBRC-SNVBAGLBSA-N 1 1 195.306 2.040 10 0 AEAEMO C[C@H](CC1CC1)[N@H+]1CCOCC12CC2 1258474812 1170079217 /nfs/dbraw/zinc/07/92/17/1170079217.db2.gz YAQVWWBHXQFUST-SNVBAGLBSA-N 1 1 195.306 2.040 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1CCOCC12CC2 1258474811 1170080669 /nfs/dbraw/zinc/08/06/69/1170080669.db2.gz YAQVWWBHXQFUST-JTQLQIEISA-N 1 1 195.306 2.040 10 0 AEAEMO C[N@@H+](Cc1ccnc(F)c1)C1CCC1 1261794246 1170120060 /nfs/dbraw/zinc/12/00/60/1170120060.db2.gz IVKAXSDRNSZMDU-UHFFFAOYSA-N 1 1 194.253 2.205 10 0 AEAEMO CC[N@@H+](Cc1n[nH]cc1C)C(C)(C)C 1262034098 1170122625 /nfs/dbraw/zinc/12/26/25/1170122625.db2.gz SAJBNAOKODYJSG-UHFFFAOYSA-N 1 1 195.310 2.339 10 0 AEAEMO CC[N@H+](Cc1[nH]ncc1C)C(C)(C)C 1262034098 1170122630 /nfs/dbraw/zinc/12/26/30/1170122630.db2.gz SAJBNAOKODYJSG-UHFFFAOYSA-N 1 1 195.310 2.339 10 0 AEAEMO CC[N@@H+](Cc1[nH]ncc1C)C(C)(C)C 1262034098 1170122633 /nfs/dbraw/zinc/12/26/33/1170122633.db2.gz SAJBNAOKODYJSG-UHFFFAOYSA-N 1 1 195.310 2.339 10 0 AEAEMO CO[C@@H]1C[N@H+]([C@@H](C)C2CC2)CC[C@H]1C 1262271179 1170127401 /nfs/dbraw/zinc/12/74/01/1170127401.db2.gz PRLQZOOWRDBRBN-JFGNBEQYSA-N 1 1 197.322 2.142 10 0 AEAEMO CO[C@@H]1C[N@H+]([C@H](C)C2CC2)CC[C@@H]1C 1262271177 1170127446 /nfs/dbraw/zinc/12/74/46/1170127446.db2.gz PRLQZOOWRDBRBN-HOSYDEDBSA-N 1 1 197.322 2.142 10 0 AEAEMO C[C@@H]1CSCC[N@H+]([C@H](C)C2CC2)C1 1262274630 1170127630 /nfs/dbraw/zinc/12/76/30/1170127630.db2.gz FCGBOOZEJJHXRQ-VHSXEESVSA-N 1 1 199.363 2.470 10 0 AEAEMO C[C@H]1CSCC[N@H+]([C@H](C)C2CC2)C1 1262274628 1170128718 /nfs/dbraw/zinc/12/87/18/1170128718.db2.gz FCGBOOZEJJHXRQ-NXEZZACHSA-N 1 1 199.363 2.470 10 0 AEAEMO C[C@@H]1CSCC[N@H+]([C@@H](C)C2CC2)C1 1262274629 1170128872 /nfs/dbraw/zinc/12/88/72/1170128872.db2.gz FCGBOOZEJJHXRQ-UWVGGRQHSA-N 1 1 199.363 2.470 10 0 AEAEMO C[C@@H](C1CC1)[N@H+]1CCSC[C@H](C)C1 1262274631 1170128897 /nfs/dbraw/zinc/12/88/97/1170128897.db2.gz FCGBOOZEJJHXRQ-ZJUUUORDSA-N 1 1 199.363 2.470 10 0 AEAEMO CO[C@@H]1C[N@H+]([C@@H](C)C2CC2)CC[C@@H]1C 1262271178 1170129054 /nfs/dbraw/zinc/12/90/54/1170129054.db2.gz PRLQZOOWRDBRBN-JBLDHEPKSA-N 1 1 197.322 2.142 10 0 AEAEMO CO[C@@H]1C[N@H+]([C@H](C)C2CC2)CC[C@H]1C 1262271176 1170129294 /nfs/dbraw/zinc/12/92/94/1170129294.db2.gz PRLQZOOWRDBRBN-CKYFFXLPSA-N 1 1 197.322 2.142 10 0 AEAEMO CC[C@H]1CC[N@@H+](CCCCCO)[C@H]1C 1307702704 1170181990 /nfs/dbraw/zinc/18/19/90/1170181990.db2.gz KOKIMENKVZIWLV-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)[C@H]1C 1307702061 1170182134 /nfs/dbraw/zinc/18/21/34/1170182134.db2.gz GRPOWUUWLKIYPD-SDDRHHMPSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[C@@H]1CC[N@@H+](CCCCCO)[C@@H]1C 1307702705 1170182245 /nfs/dbraw/zinc/18/22/45/1170182245.db2.gz KOKIMENKVZIWLV-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H]1CC[C@@H](C)[N@H+]1CC1=NOCC1 1307620222 1170182433 /nfs/dbraw/zinc/18/24/33/1170182433.db2.gz FGNKKCRNLQITIH-KOLCDFICSA-N 1 1 196.294 2.026 10 0 AEAEMO CC[C@H]1CC[N@@H+](CCCCCO)[C@@H]1C 1307702702 1170183322 /nfs/dbraw/zinc/18/33/22/1170183322.db2.gz KOKIMENKVZIWLV-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@H]1CC[N@@H+](CCCCCO)[C@H]1C 1307702703 1170182579 /nfs/dbraw/zinc/18/25/79/1170182579.db2.gz KOKIMENKVZIWLV-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H]1CC[N@@H+](Cc2ccon2)[C@H]1C 1307701243 1170183176 /nfs/dbraw/zinc/18/31/76/1170183176.db2.gz CNCQBOWEYAARLZ-UWVGGRQHSA-N 1 1 194.278 2.295 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@H+]1CC1=NOCC1 1307620167 1170183461 /nfs/dbraw/zinc/18/34/61/1170183461.db2.gz FGNKKCRNLQITIH-GXSJLCMTSA-N 1 1 196.294 2.026 10 0 AEAEMO CC[C@H]1CC[C@H](C)[N@H+]1CC1=NOCC1 1307620224 1170183482 /nfs/dbraw/zinc/18/34/82/1170183482.db2.gz FGNKKCRNLQITIH-ONGXEEELSA-N 1 1 196.294 2.026 10 0 AEAEMO CC[C@@H]1CC[N@@H+](Cc2ccon2)[C@@H]1C 1307701242 1170183576 /nfs/dbraw/zinc/18/35/76/1170183576.db2.gz CNCQBOWEYAARLZ-NXEZZACHSA-N 1 1 194.278 2.295 10 0 AEAEMO CC[C@@H]1CC[N@@H+](Cc2ccon2)[C@H]1C 1307701244 1170183615 /nfs/dbraw/zinc/18/36/15/1170183615.db2.gz CNCQBOWEYAARLZ-VHSXEESVSA-N 1 1 194.278 2.295 10 0 AEAEMO CC[C@@H]1CC[C@@H](C)[N@H+]1CC1=NOCC1 1307620223 1170183727 /nfs/dbraw/zinc/18/37/27/1170183727.db2.gz FGNKKCRNLQITIH-MWLCHTKSSA-N 1 1 196.294 2.026 10 0 AEAEMO CC[C@@H]1CC[N@@H+](C[C@H]2CCOC2)[C@H]1C 1307702059 1170183754 /nfs/dbraw/zinc/18/37/54/1170183754.db2.gz GRPOWUUWLKIYPD-QJPTWQEYSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)[C@@H]1C 1307702050 1170184349 /nfs/dbraw/zinc/18/43/49/1170184349.db2.gz GRPOWUUWLKIYPD-GRYCIOLGSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[C@@H]1CC[N@@H+](C[C@H]2CCOC2)[C@@H]1C 1307702058 1170184594 /nfs/dbraw/zinc/18/45/94/1170184594.db2.gz GRPOWUUWLKIYPD-IJLUTSLNSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[C@H]1CC[N@@H+](Cc2ccon2)[C@@H]1C 1307701245 1170184596 /nfs/dbraw/zinc/18/45/96/1170184596.db2.gz CNCQBOWEYAARLZ-ZJUUUORDSA-N 1 1 194.278 2.295 10 0 AEAEMO CCC[C@H]1CCC[N@H+]1Cc1ccno1 1308136748 1170185956 /nfs/dbraw/zinc/18/59/56/1170185956.db2.gz VCWGLDPSGKZTDL-JTQLQIEISA-N 1 1 194.278 2.439 10 0 AEAEMO CC[C@H](C[N@@H+](C)CC1CCC1)OC 1308135547 1170186710 /nfs/dbraw/zinc/18/67/10/1170186710.db2.gz HPKKVYRDAJRHPA-LLVKDONJSA-N 1 1 185.311 2.143 10 0 AEAEMO CCSCC[N@@H+](C)CC1CCC1 1308136355 1170186750 /nfs/dbraw/zinc/18/67/50/1170186750.db2.gz LSQIDVYOGDVLFB-UHFFFAOYSA-N 1 1 187.352 2.471 10 0 AEAEMO CC[C@@H](C[N@@H+](C)CC1CCC1)OC 1308135578 1170187102 /nfs/dbraw/zinc/18/71/02/1170187102.db2.gz HPKKVYRDAJRHPA-NSHDSACASA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[C@@H]1CCC[N@H+]1CC1=NOCC1 1308133313 1170187275 /nfs/dbraw/zinc/18/72/75/1170187275.db2.gz HCNOJIQXQWZVGN-LLVKDONJSA-N 1 1 196.294 2.027 10 0 AEAEMO CCC[C@H]1CCC[N@H+]1CC1=NOCC1 1308133314 1170187636 /nfs/dbraw/zinc/18/76/36/1170187636.db2.gz HCNOJIQXQWZVGN-NSHDSACASA-N 1 1 196.294 2.027 10 0 AEAEMO C1CC[C@]2(CCOC2)[N@@H+](CC2CC2)C1 1308166809 1170188975 /nfs/dbraw/zinc/18/89/75/1170188975.db2.gz LUYNEXYNZQCAJX-GFCCVEGCSA-N 1 1 195.306 2.041 10 0 AEAEMO C1CC[C@@]2(CCOC2)[N@@H+](CC2CC2)C1 1308166811 1170189031 /nfs/dbraw/zinc/18/90/31/1170189031.db2.gz LUYNEXYNZQCAJX-LBPRGKRZSA-N 1 1 195.306 2.041 10 0 AEAEMO C[C@@H]1C[N@@H+](CCC2CC2)[C@H](C)CCO1 1308166071 1170189960 /nfs/dbraw/zinc/18/99/60/1170189960.db2.gz HSIHJRPLDAAGID-GHMZBOCLSA-N 1 1 197.322 2.286 10 0 AEAEMO CCC[C@@H]1CCC[N@H+]1Cc1ccno1 1308136749 1170190887 /nfs/dbraw/zinc/19/08/87/1170190887.db2.gz VCWGLDPSGKZTDL-SNVBAGLBSA-N 1 1 194.278 2.439 10 0 AEAEMO CSCC[N@H+]1CC(C)(C)C1(C)C 1319543788 1170201508 /nfs/dbraw/zinc/20/15/08/1170201508.db2.gz XLXICKWAEKPNNH-UHFFFAOYSA-N 1 1 187.352 2.470 10 0 AEAEMO COC[C@H](C)C[N@H+]1CC(C)(C)C1(C)C 1320576362 1170206979 /nfs/dbraw/zinc/20/69/79/1170206979.db2.gz BEYBIYDOUKGSND-SNVBAGLBSA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@@H](C)C[N@H+]1CC(C)(C)C1(C)C 1320576361 1170208292 /nfs/dbraw/zinc/20/82/92/1170208292.db2.gz BEYBIYDOUKGSND-JTQLQIEISA-N 1 1 199.338 2.389 10 0 AEAEMO CCC(=O)CC[N@H+]1CC(C)(C)C1(C)C 1320718600 1170208436 /nfs/dbraw/zinc/20/84/36/1170208436.db2.gz AHHQTOMGLFHCQX-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CCCCCC[N@H+]1C[C@H](O)C2(CC2)C1 1324208568 1170220254 /nfs/dbraw/zinc/22/02/54/1170220254.db2.gz AAQUTYMTHLQUPG-NSHDSACASA-N 1 1 197.322 2.023 10 0 AEAEMO CCCCCC[N@H+]1C[C@@H](O)C2(CC2)C1 1324208567 1170220266 /nfs/dbraw/zinc/22/02/66/1170220266.db2.gz AAQUTYMTHLQUPG-LLVKDONJSA-N 1 1 197.322 2.023 10 0 AEAEMO CC[N@@H+](CCC(=O)C1CC1)CC(C)C 1324672910 1170226240 /nfs/dbraw/zinc/22/62/40/1170226240.db2.gz HXOHDMLDAGNHGG-UHFFFAOYSA-N 1 1 197.322 2.334 10 0 AEAEMO CCCNCC[NH2+][C@@H]1CC[C@H]1C(C)C 1325756729 1170231518 /nfs/dbraw/zinc/23/15/18/1170231518.db2.gz ZLDSBIJHGNUGKV-NWDGAFQWSA-N 1 1 198.354 2.010 10 0 AEAEMO CCC[NH2+]CCN[C@@H]1CC[C@H]1C(C)C 1325756729 1170231521 /nfs/dbraw/zinc/23/15/21/1170231521.db2.gz ZLDSBIJHGNUGKV-NWDGAFQWSA-N 1 1 198.354 2.010 10 0 AEAEMO CCCNCC[NH2+][C@@H]1CC[C@@H]1C(C)C 1325756731 1170231854 /nfs/dbraw/zinc/23/18/54/1170231854.db2.gz ZLDSBIJHGNUGKV-VXGBXAGGSA-N 1 1 198.354 2.010 10 0 AEAEMO CCC[NH2+]CCN[C@@H]1CC[C@@H]1C(C)C 1325756731 1170231861 /nfs/dbraw/zinc/23/18/61/1170231861.db2.gz ZLDSBIJHGNUGKV-VXGBXAGGSA-N 1 1 198.354 2.010 10 0 AEAEMO CCCNCC[NH2+][C@H]1CC[C@H]1C(C)C 1325756730 1170232440 /nfs/dbraw/zinc/23/24/40/1170232440.db2.gz ZLDSBIJHGNUGKV-RYUDHWBXSA-N 1 1 198.354 2.010 10 0 AEAEMO CCC[NH2+]CCN[C@H]1CC[C@H]1C(C)C 1325756730 1170232444 /nfs/dbraw/zinc/23/24/44/1170232444.db2.gz ZLDSBIJHGNUGKV-RYUDHWBXSA-N 1 1 198.354 2.010 10 0 AEAEMO CCCNCC[NH2+][C@H]1CC[C@@H]1C(C)C 1325756728 1170232552 /nfs/dbraw/zinc/23/25/52/1170232552.db2.gz ZLDSBIJHGNUGKV-NEPJUHHUSA-N 1 1 198.354 2.010 10 0 AEAEMO CCC[NH2+]CCN[C@H]1CC[C@@H]1C(C)C 1325756728 1170232557 /nfs/dbraw/zinc/23/25/57/1170232557.db2.gz ZLDSBIJHGNUGKV-NEPJUHHUSA-N 1 1 198.354 2.010 10 0 AEAEMO CC(C)=CCC[N@H+]1CC[C@@]12CCOC2 1327533830 1170249704 /nfs/dbraw/zinc/24/97/04/1170249704.db2.gz BXXQBUOIZIZDLI-LBPRGKRZSA-N 1 1 195.306 2.208 10 0 AEAEMO CC(C)=CCC[N@H+]1CC[C@]12CCOC2 1327533829 1170251438 /nfs/dbraw/zinc/25/14/38/1170251438.db2.gz BXXQBUOIZIZDLI-GFCCVEGCSA-N 1 1 195.306 2.208 10 0 AEAEMO CC[N@@H+](Cc1cncnc1)C(C)(C)C 1327951019 1170257006 /nfs/dbraw/zinc/25/70/06/1170257006.db2.gz BLAROFXXMIGZGS-UHFFFAOYSA-N 1 1 193.294 2.097 10 0 AEAEMO CC[N@@H+](C)Cc1cccn1C1CC1 1327938067 1170258323 /nfs/dbraw/zinc/25/83/23/1170258323.db2.gz DZESTRANMXWMIB-UHFFFAOYSA-N 1 1 178.279 2.275 10 0 AEAEMO C1CC(CC[N@H+]2CC[C@]23CCOC3)C1 1329889934 1170273410 /nfs/dbraw/zinc/27/34/10/1170273410.db2.gz CMGNDKWSNLPZDL-GFCCVEGCSA-N 1 1 195.306 2.041 10 0 AEAEMO C1CC(CC[N@H+]2CC[C@@]23CCOC3)C1 1329889937 1170273988 /nfs/dbraw/zinc/27/39/88/1170273988.db2.gz CMGNDKWSNLPZDL-LBPRGKRZSA-N 1 1 195.306 2.041 10 0 AEAEMO CC1(C[N@H+]2CC[C@@]23CCOC3)CCC1 1331538524 1170292970 /nfs/dbraw/zinc/29/29/70/1170292970.db2.gz FFJMUKREGLHJAF-LBPRGKRZSA-N 1 1 195.306 2.041 10 0 AEAEMO C(CC1CC1)C[N@H+]1CC[C@]12CCOC2 1331108737 1170287839 /nfs/dbraw/zinc/28/78/39/1170287839.db2.gz FDGVYDJWMWUYFK-GFCCVEGCSA-N 1 1 195.306 2.041 10 0 AEAEMO C(CC1CC1)C[N@H+]1CC[C@@]12CCOC2 1331108738 1170288655 /nfs/dbraw/zinc/28/86/55/1170288655.db2.gz FDGVYDJWMWUYFK-LBPRGKRZSA-N 1 1 195.306 2.041 10 0 AEAEMO CC1(C[N@H+]2CC[C@]23CCOC3)CCC1 1331538523 1170293417 /nfs/dbraw/zinc/29/34/17/1170293417.db2.gz FFJMUKREGLHJAF-GFCCVEGCSA-N 1 1 195.306 2.041 10 0 AEAEMO CC[C@@]1(C)C[N@H+]([C@@H](C)C2CC2)CCO1 1333446348 1170324879 /nfs/dbraw/zinc/32/48/79/1170324879.db2.gz HRPBHOLBVQRRLV-JQWIXIFHSA-N 1 1 197.322 2.286 10 0 AEAEMO COC[C@@H](C[N@@H+]1CC=CCC1)C(C)C 1333194366 1170319719 /nfs/dbraw/zinc/31/97/19/1170319719.db2.gz IOQRDMGKFKQGCR-GFCCVEGCSA-N 1 1 197.322 2.167 10 0 AEAEMO COC[C@H](C[N@@H+]1CC=CCC1)C(C)C 1333194369 1170321781 /nfs/dbraw/zinc/32/17/81/1170321781.db2.gz IOQRDMGKFKQGCR-LBPRGKRZSA-N 1 1 197.322 2.167 10 0 AEAEMO CC[C@]1(C)C[N@H+]([C@@H](C)C2CC2)CCO1 1333446347 1170323911 /nfs/dbraw/zinc/32/39/11/1170323911.db2.gz HRPBHOLBVQRRLV-CMPLNLGQSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@@]1(C)C[N@H+]([C@H](C)C2CC2)CCO1 1333446349 1170325994 /nfs/dbraw/zinc/32/59/94/1170325994.db2.gz HRPBHOLBVQRRLV-PWSUYJOCSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@]1(C)C[N@H+]([C@H](C)C2CC2)CCO1 1333446350 1170327008 /nfs/dbraw/zinc/32/70/08/1170327008.db2.gz HRPBHOLBVQRRLV-ZYHUDNBSSA-N 1 1 197.322 2.286 10 0 AEAEMO Cc1coc(C[N@H+](C)C2CC2)c1 1333704611 1170331823 /nfs/dbraw/zinc/33/18/23/1170331823.db2.gz YRJBESRDMBCVMU-UHFFFAOYSA-N 1 1 165.236 2.182 10 0 AEAEMO CO[C@@H]1CCC[N@H+]([C@H](C)C2CC2)CC1 1334771521 1170343527 /nfs/dbraw/zinc/34/35/27/1170343527.db2.gz XHIAEYSIPKHECA-ZYHUDNBSSA-N 1 1 197.322 2.286 10 0 AEAEMO CO[C@@H]1CCC[N@H+]([C@@H](C)C2CC2)CC1 1334771506 1170343705 /nfs/dbraw/zinc/34/37/05/1170343705.db2.gz XHIAEYSIPKHECA-CMPLNLGQSA-N 1 1 197.322 2.286 10 0 AEAEMO CO[C@H]1CCC[N@H+]([C@@H](C)C2CC2)CC1 1334771516 1170343734 /nfs/dbraw/zinc/34/37/34/1170343734.db2.gz XHIAEYSIPKHECA-JQWIXIFHSA-N 1 1 197.322 2.286 10 0 AEAEMO CO[C@H]1CCC[N@H+]([C@H](C)C2CC2)CC1 1334771518 1170344512 /nfs/dbraw/zinc/34/45/12/1170344512.db2.gz XHIAEYSIPKHECA-PWSUYJOCSA-N 1 1 197.322 2.286 10 0 AEAEMO Cc1coc(C[N@@H+]2CC[C@@H](C)C2)c1 1338235922 1170408817 /nfs/dbraw/zinc/40/88/17/1170408817.db2.gz WAIFQLQFDSYLFV-SECBINFHSA-N 1 1 179.263 2.430 10 0 AEAEMO Cc1coc(C[N@@H+]2CC[C@H](C)C2)c1 1338235923 1170409052 /nfs/dbraw/zinc/40/90/52/1170409052.db2.gz WAIFQLQFDSYLFV-VIFPVBQESA-N 1 1 179.263 2.430 10 0 AEAEMO CCC(=O)CC[N@@H+](CC(C)C)C1CC1 1338985062 1170416085 /nfs/dbraw/zinc/41/60/85/1170416085.db2.gz HLMYPGPSHZZKPZ-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CC1CC(C[N@H+]2CC[C@H]3C[C@H]32)C1 1340694917 1170428014 /nfs/dbraw/zinc/42/80/14/1170428014.db2.gz USKHIYODDIFDFL-WFBLGPOFSA-N 1 1 165.280 2.127 10 0 AEAEMO CC1CC(C[N@H+]2CC[C@@H]3C[C@@H]32)C1 1340694915 1170428493 /nfs/dbraw/zinc/42/84/93/1170428493.db2.gz USKHIYODDIFDFL-LXKPXOPUSA-N 1 1 165.280 2.127 10 0 AEAEMO CC1CC(C[N@H+]2CCCSCC2)C1 1340695250 1170428560 /nfs/dbraw/zinc/42/85/60/1170428560.db2.gz XFXFTANVXSLZLJ-UHFFFAOYSA-N 1 1 199.363 2.471 10 0 AEAEMO Cc1n[nH]c(C)c1C[N@H+]1CCC1(C)C 1341567092 1170438652 /nfs/dbraw/zinc/43/86/52/1170438652.db2.gz CPARGXDESXBUHV-UHFFFAOYSA-N 1 1 193.294 2.011 10 0 AEAEMO C[C@]12CCCC[C@H]1C[N@H+]2CCF 1351493308 1170528295 /nfs/dbraw/zinc/52/82/95/1170528295.db2.gz BJNYWIMHQSOLGK-UWVGGRQHSA-N 1 1 171.259 2.220 10 0 AEAEMO CC/C=C/CC[N@H+]1CC[C@H](C)[C@H](O)C1 1459875217 1170575194 /nfs/dbraw/zinc/57/51/94/1170575194.db2.gz QLJNYBGUDVFUQJ-RUULKOMLSA-N 1 1 197.322 2.045 10 0 AEAEMO CC/C=C\CC[N@H+]1CC[C@H](C)[C@H](O)C1 1459875216 1170576289 /nfs/dbraw/zinc/57/62/89/1170576289.db2.gz QLJNYBGUDVFUQJ-KBIXYVOKSA-N 1 1 197.322 2.045 10 0 AEAEMO CC/C=C\CC[N@H+]1CC[C@H](C)[C@@H](O)C1 1459875212 1170577243 /nfs/dbraw/zinc/57/72/43/1170577243.db2.gz QLJNYBGUDVFUQJ-DFPOMNKCSA-N 1 1 197.322 2.045 10 0 AEAEMO CC/C=C/CC[N@H+]1CC[C@H](C)[C@@H](O)C1 1459875219 1170577569 /nfs/dbraw/zinc/57/75/69/1170577569.db2.gz QLJNYBGUDVFUQJ-XMXMHJJKSA-N 1 1 197.322 2.045 10 0 AEAEMO CCC[C@@H]1CCC[N@H+]1CCOCC 1460903983 1170578238 /nfs/dbraw/zinc/57/82/38/1170578238.db2.gz WJEBQZVXUAXOKJ-LLVKDONJSA-N 1 1 185.311 2.287 10 0 AEAEMO C[Si](C)(C)C[N@@H+]1OC2CCC1CC2 1460646824 1170578391 /nfs/dbraw/zinc/57/83/91/1170578391.db2.gz UFCMUWWZFOWABB-UHFFFAOYSA-N 1 1 199.370 2.422 10 0 AEAEMO C[Si](C)(C)C[N@H+]1OC2CCC1CC2 1460646824 1170578394 /nfs/dbraw/zinc/57/83/94/1170578394.db2.gz UFCMUWWZFOWABB-UHFFFAOYSA-N 1 1 199.370 2.422 10 0 AEAEMO CCC[C@@H]1CCC[N@H+]1CC1(C)COC1 1460900096 1170578486 /nfs/dbraw/zinc/57/84/86/1170578486.db2.gz LAUZYIFJWNJPKZ-LLVKDONJSA-N 1 1 197.322 2.287 10 0 AEAEMO CCC[C@H]1CCC[N@H+]1CCOC1CC1 1460903360 1170578947 /nfs/dbraw/zinc/57/89/47/1170578947.db2.gz RRICPWMEDNTUGQ-NSHDSACASA-N 1 1 197.322 2.430 10 0 AEAEMO Cc1nocc1C[N@@H+](C)CC1CCC1 1460885164 1170579057 /nfs/dbraw/zinc/57/90/57/1170579057.db2.gz ABOHICXDPKTUJN-UHFFFAOYSA-N 1 1 194.278 2.215 10 0 AEAEMO C[C@H]1OCC[C@H]1C[N@@H+](C)CC1CCC1 1460885750 1170579399 /nfs/dbraw/zinc/57/93/99/1170579399.db2.gz IDOUMWLSBORNTQ-PWSUYJOCSA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@H]1OCC[C@@H]1C[N@@H+](C)CC1CCC1 1460885753 1170579777 /nfs/dbraw/zinc/57/97/77/1170579777.db2.gz IDOUMWLSBORNTQ-ZYHUDNBSSA-N 1 1 197.322 2.143 10 0 AEAEMO CC(C)OCC[N@@H+](C)CC1CCC1 1460887351 1170579870 /nfs/dbraw/zinc/57/98/70/1170579870.db2.gz SDCOUKGQBHODOI-UHFFFAOYSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[C@H]1CCC[N@H+]1CC1(C)COC1 1460900099 1170580054 /nfs/dbraw/zinc/58/00/54/1170580054.db2.gz LAUZYIFJWNJPKZ-NSHDSACASA-N 1 1 197.322 2.287 10 0 AEAEMO CCC[C@H]1CCC[N@H+]1CCOCC 1460903984 1170580197 /nfs/dbraw/zinc/58/01/97/1170580197.db2.gz WJEBQZVXUAXOKJ-NSHDSACASA-N 1 1 185.311 2.287 10 0 AEAEMO C[C@@H]1OCC[C@@H]1C[N@@H+](C)CC1CCC1 1460885743 1170580552 /nfs/dbraw/zinc/58/05/52/1170580552.db2.gz IDOUMWLSBORNTQ-CMPLNLGQSA-N 1 1 197.322 2.143 10 0 AEAEMO CCC[C@@H]1CCC[N@H+]1CCOC1CC1 1460903358 1170580636 /nfs/dbraw/zinc/58/06/36/1170580636.db2.gz RRICPWMEDNTUGQ-LLVKDONJSA-N 1 1 197.322 2.430 10 0 AEAEMO C[C@@H]1OCC[C@H]1C[N@@H+](C)CC1CCC1 1460885745 1170580672 /nfs/dbraw/zinc/58/06/72/1170580672.db2.gz IDOUMWLSBORNTQ-JQWIXIFHSA-N 1 1 197.322 2.143 10 0 AEAEMO CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCO1 1460947448 1170581654 /nfs/dbraw/zinc/58/16/54/1170581654.db2.gz ISFICRQBRQTCHB-NEPJUHHUSA-N 1 1 197.322 2.430 10 0 AEAEMO CCC[N@H+]1CCCC[C@@H]1[C@H]1CCCO1 1460947458 1170582245 /nfs/dbraw/zinc/58/22/45/1170582245.db2.gz ISFICRQBRQTCHB-VXGBXAGGSA-N 1 1 197.322 2.430 10 0 AEAEMO CCC[N@H+]1CCCC[C@H]1[C@@H]1CCCO1 1460947455 1170582411 /nfs/dbraw/zinc/58/24/11/1170582411.db2.gz ISFICRQBRQTCHB-RYUDHWBXSA-N 1 1 197.322 2.430 10 0 AEAEMO CCC[N@H+]1CCCC[C@H]1[C@H]1CCCO1 1460947451 1170582509 /nfs/dbraw/zinc/58/25/09/1170582509.db2.gz ISFICRQBRQTCHB-NWDGAFQWSA-N 1 1 197.322 2.430 10 0 AEAEMO CCC[N@H+](CC1=NOCC1)CC(C)C 1473131824 1170593938 /nfs/dbraw/zinc/59/39/38/1170593938.db2.gz NVMWROIEERIOLQ-UHFFFAOYSA-N 1 1 198.310 2.131 10 0 AEAEMO CCCC[C@H](C)[N@@H+](C)CC1=NOCC1 1473524130 1170595778 /nfs/dbraw/zinc/59/57/78/1170595778.db2.gz OZLAAZAZYQKXDT-JTQLQIEISA-N 1 1 198.310 2.273 10 0 AEAEMO C[C@H]1CCC(C)(C)[N@H+]1CC1=NOCC1 1473544221 1170595932 /nfs/dbraw/zinc/59/59/32/1170595932.db2.gz PYWSYNQULBXQRV-VIFPVBQESA-N 1 1 196.294 2.026 10 0 AEAEMO CCCC[C@@H](C)[N@@H+](C)CC1=NOCC1 1473524131 1170596141 /nfs/dbraw/zinc/59/61/41/1170596141.db2.gz OZLAAZAZYQKXDT-SNVBAGLBSA-N 1 1 198.310 2.273 10 0 AEAEMO C[C@@H]1CCC(C)(C)[N@H+]1CC1=NOCC1 1473544220 1170596153 /nfs/dbraw/zinc/59/61/53/1170596153.db2.gz PYWSYNQULBXQRV-SECBINFHSA-N 1 1 196.294 2.026 10 0 AEAEMO CC(C)[N@@H+](C)C[C@]12CCC[C@H]1OCC2 1473898213 1170597738 /nfs/dbraw/zinc/59/77/38/1170597738.db2.gz VFGMXOGFIYVWMF-VXGBXAGGSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@]12CSC[C@@H]1C[N@@H+](CC1CC1)C2 1473862411 1170597986 /nfs/dbraw/zinc/59/79/86/1170597986.db2.gz ZLJDJVAHJDAOTL-WDEREUQCSA-N 1 1 197.347 2.081 10 0 AEAEMO CC(C)[N@@H+](C)C[C@@]1(C)CCCCO1 1474405165 1170598322 /nfs/dbraw/zinc/59/83/22/1170598322.db2.gz ZKCPIWVILSVLDU-LLVKDONJSA-N 1 1 185.311 2.286 10 0 AEAEMO CC(C)[N@@H+](C)C[C@]1(C)CCCCO1 1474405166 1170598826 /nfs/dbraw/zinc/59/88/26/1170598826.db2.gz ZKCPIWVILSVLDU-NSHDSACASA-N 1 1 185.311 2.286 10 0 AEAEMO CC(C)=CC[N@@H+]1C[C@@H](C)OCC[C@H]1C 1473893123 1170599152 /nfs/dbraw/zinc/59/91/52/1170599152.db2.gz JXLAIPCAMSTBOP-VXGBXAGGSA-N 1 1 197.322 2.452 10 0 AEAEMO CCCCCC[N@H+]1[C@H](C)CC[C@@H]1CO 1473754211 1170599332 /nfs/dbraw/zinc/59/93/32/1170599332.db2.gz AJTXOBIYAAHWJX-VXGBXAGGSA-N 1 1 199.338 2.412 10 0 AEAEMO CC(C)CCC[N@H+]1[C@H](C)CC[C@@H]1CO 1473754364 1170599683 /nfs/dbraw/zinc/59/96/83/1170599683.db2.gz GDMWUZBZVPMZQI-VXGBXAGGSA-N 1 1 199.338 2.268 10 0 AEAEMO COC[C@H](C)C[N@H+]1C[C@H]2CCCC[C@H]21 1474615032 1170601320 /nfs/dbraw/zinc/60/13/20/1170601320.db2.gz KICDMBVICDGYOU-IJLUTSLNSA-N 1 1 197.322 2.143 10 0 AEAEMO COC/C(C)=C\C[N@@H+](C)CC1CCC1 1560200628 1170658960 /nfs/dbraw/zinc/65/89/60/1170658960.db2.gz DJCZUCREFCZXNB-XFFZJAGNSA-N 1 1 197.322 2.311 10 0 AEAEMO COC/C(C)=C/C[N@@H+](C)CC1CCC1 1560200629 1170659487 /nfs/dbraw/zinc/65/94/87/1170659487.db2.gz DJCZUCREFCZXNB-YRNVUSSQSA-N 1 1 197.322 2.311 10 0 AEAEMO CC[N@H+]1CCCC[C@@H]1c1cc(C)n[nH]1 1560173684 1170660488 /nfs/dbraw/zinc/66/04/88/1170660488.db2.gz NIVNHYUIPFPBGM-LLVKDONJSA-N 1 1 193.294 2.265 10 0 AEAEMO CC[N@@H+]1CCCC[C@@H]1c1cc(C)[nH]n1 1560173684 1170660491 /nfs/dbraw/zinc/66/04/91/1170660491.db2.gz NIVNHYUIPFPBGM-LLVKDONJSA-N 1 1 193.294 2.265 10 0 AEAEMO CC[N@H+]1CCCC[C@@H]1c1cc(C)[nH]n1 1560173684 1170660496 /nfs/dbraw/zinc/66/04/96/1170660496.db2.gz NIVNHYUIPFPBGM-LLVKDONJSA-N 1 1 193.294 2.265 10 0 AEAEMO CC[N@H+]1CCCC[C@H]1c1cc(C)n[nH]1 1560173689 1170660849 /nfs/dbraw/zinc/66/08/49/1170660849.db2.gz NIVNHYUIPFPBGM-NSHDSACASA-N 1 1 193.294 2.265 10 0 AEAEMO CC[N@@H+]1CCCC[C@H]1c1cc(C)[nH]n1 1560173689 1170660854 /nfs/dbraw/zinc/66/08/54/1170660854.db2.gz NIVNHYUIPFPBGM-NSHDSACASA-N 1 1 193.294 2.265 10 0 AEAEMO CC[N@H+]1CCCC[C@H]1c1cc(C)[nH]n1 1560173689 1170660859 /nfs/dbraw/zinc/66/08/59/1170660859.db2.gz NIVNHYUIPFPBGM-NSHDSACASA-N 1 1 193.294 2.265 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CC[C@H](N(C)CC)C1 1560242312 1170661567 /nfs/dbraw/zinc/66/15/67/1170661567.db2.gz BDPVSAWGXORNQQ-NEPJUHHUSA-N 1 1 198.354 2.201 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)CC)C1 1560242315 1170661685 /nfs/dbraw/zinc/66/16/85/1170661685.db2.gz BDPVSAWGXORNQQ-VXGBXAGGSA-N 1 1 198.354 2.201 10 0 AEAEMO CCCC[N@H+]1C[C@@H](C)OCC[C@H]1C 1560232056 1170661767 /nfs/dbraw/zinc/66/17/67/1170661767.db2.gz KEUGIYAUJRAQET-GHMZBOCLSA-N 1 1 185.311 2.286 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@H](N(C)CC)C1 1560242314 1170662505 /nfs/dbraw/zinc/66/25/05/1170662505.db2.gz BDPVSAWGXORNQQ-RYUDHWBXSA-N 1 1 198.354 2.201 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@@H](N(C)CC)C1 1560242313 1170662738 /nfs/dbraw/zinc/66/27/38/1170662738.db2.gz BDPVSAWGXORNQQ-NWDGAFQWSA-N 1 1 198.354 2.201 10 0 AEAEMO C[C@H](O)[C@@H](C)[N@@H+](C)C[C@@H]1CC=CCC1 1616548269 1170806901 /nfs/dbraw/zinc/80/69/01/1170806901.db2.gz FXBOOEUNOLQILM-GRYCIOLGSA-N 1 1 197.322 2.044 10 0 AEAEMO C[C@H](O)[C@H](C)[N@@H+](C)C[C@@H]1CC=CCC1 1616548279 1170808363 /nfs/dbraw/zinc/80/83/63/1170808363.db2.gz FXBOOEUNOLQILM-SDDRHHMPSA-N 1 1 197.322 2.044 10 0 AEAEMO C[C@H](O)[C@H](C)[N@@H+](C)C[C@H]1CC=CCC1 1616548280 1170808482 /nfs/dbraw/zinc/80/84/82/1170808482.db2.gz FXBOOEUNOLQILM-SRVKXCTJSA-N 1 1 197.322 2.044 10 0 AEAEMO C[C@H](O)[C@@H](C)[N@@H+](C)C[C@H]1CC=CCC1 1616548282 1170809697 /nfs/dbraw/zinc/80/96/97/1170809697.db2.gz FXBOOEUNOLQILM-WOPDTQHZSA-N 1 1 197.322 2.044 10 0 AEAEMO CC[N@H+]1CCC(C)=C(C)C1 1617597670 1170812911 /nfs/dbraw/zinc/81/29/11/1170812911.db2.gz LGDAMWRPXHXAHW-UHFFFAOYSA-N 1 1 139.242 2.048 10 0 AEAEMO CCOCCC[N@H+]1C[C@H]2CCCC[C@H]21 1619819574 1170816076 /nfs/dbraw/zinc/81/60/76/1170816076.db2.gz ZIAREUOTHWAJFC-VXGBXAGGSA-N 1 1 197.322 2.287 10 0 AEAEMO CCC[C@H]1CCC[N@H+]1Cc1cc[nH]n1 1620643809 1170822164 /nfs/dbraw/zinc/82/21/64/1170822164.db2.gz RDCYXEDCXGFVKE-NSHDSACASA-N 1 1 193.294 2.174 10 0 AEAEMO C[C@H]1CC[C@H](C[N@@H+](C)CC2CCC2)O1 1620642464 1170822215 /nfs/dbraw/zinc/82/22/15/1170822215.db2.gz WMLFEPNRHANQDP-CMPLNLGQSA-N 1 1 197.322 2.286 10 0 AEAEMO CC(C)[C@@H](O)CC[N@@H+](C)CC1CCC1 1620642247 1170822899 /nfs/dbraw/zinc/82/28/99/1170822899.db2.gz NAPICBQRKJADLW-LBPRGKRZSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@@H]1CC[C@H](C[N@@H+](C)CC2CCC2)O1 1620642467 1170823398 /nfs/dbraw/zinc/82/33/98/1170823398.db2.gz WMLFEPNRHANQDP-ZYHUDNBSSA-N 1 1 197.322 2.286 10 0 AEAEMO CC(C)[C@H](O)CC[N@@H+](C)CC1CCC1 1620642246 1170824104 /nfs/dbraw/zinc/82/41/04/1170824104.db2.gz NAPICBQRKJADLW-GFCCVEGCSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@@H]1CCC[N@H+]1Cc1cc[nH]n1 1620643808 1170824262 /nfs/dbraw/zinc/82/42/62/1170824262.db2.gz RDCYXEDCXGFVKE-LLVKDONJSA-N 1 1 193.294 2.174 10 0 AEAEMO C[C@H]1CC[C@@H](C[N@@H+](C)CC2CCC2)O1 1620642465 1170824353 /nfs/dbraw/zinc/82/43/53/1170824353.db2.gz WMLFEPNRHANQDP-JQWIXIFHSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H]1CC[C@@H](C[N@@H+](C)CC2CCC2)O1 1620642466 1170825175 /nfs/dbraw/zinc/82/51/75/1170825175.db2.gz WMLFEPNRHANQDP-PWSUYJOCSA-N 1 1 197.322 2.286 10 0 AEAEMO CCCC[N@H+]1C[C@H]2CSC[C@@]2(C)C1 1620647490 1170825205 /nfs/dbraw/zinc/82/52/05/1170825205.db2.gz UOGBGOLYLVCCKS-WDEREUQCSA-N 1 1 199.363 2.471 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F 1642341852 1170863691 /nfs/dbraw/zinc/86/36/91/1170863691.db2.gz VFYJHTSPIIAUFN-YIZRAAEISA-N 1 1 189.249 2.372 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F 1642341851 1170864728 /nfs/dbraw/zinc/86/47/28/1170864728.db2.gz VFYJHTSPIIAUFN-XHNCKOQMSA-N 1 1 189.249 2.372 10 0 AEAEMO Cc1cc(C[N@H+]2CC[C@@H]3C[C@@H]32)sn1 1642589508 1170867686 /nfs/dbraw/zinc/86/76/86/1170867686.db2.gz NMYSYQXYBCRQKV-SCZZXKLOSA-N 1 1 194.303 2.046 10 0 AEAEMO Cc1cc(C[N@H+]2CC[C@H]3C[C@H]32)sn1 1642589509 1170867716 /nfs/dbraw/zinc/86/77/16/1170867716.db2.gz NMYSYQXYBCRQKV-WCBMZHEXSA-N 1 1 194.303 2.046 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1CC1=NOCC1 1642776987 1170868134 /nfs/dbraw/zinc/86/81/34/1170868134.db2.gz LLLAULPXEJFKQF-JTQLQIEISA-N 1 1 196.294 2.027 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1CC1=NOCC1 1642776988 1170869083 /nfs/dbraw/zinc/86/90/83/1170869083.db2.gz LLLAULPXEJFKQF-SNVBAGLBSA-N 1 1 196.294 2.027 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@H+]1CCC2(COC2)C1 1643914821 1170870021 /nfs/dbraw/zinc/87/00/21/1170870021.db2.gz FJFLHFUCMHUSQK-QWRGUYRKSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[C@@H](C)[C@H](C)[N@H+]1CCC2(COC2)C1 1643914820 1170870326 /nfs/dbraw/zinc/87/03/26/1170870326.db2.gz FJFLHFUCMHUSQK-MNOVXSKESA-N 1 1 197.322 2.143 10 0 AEAEMO CC[C@H](C)[C@@H](C)[N@H+]1CCC2(COC2)C1 1643914823 1170872587 /nfs/dbraw/zinc/87/25/87/1170872587.db2.gz FJFLHFUCMHUSQK-WDEREUQCSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[C@@H](C)[C@@H](C)[N@H+]1CCC2(COC2)C1 1643914800 1170874050 /nfs/dbraw/zinc/87/40/50/1170874050.db2.gz FJFLHFUCMHUSQK-GHMZBOCLSA-N 1 1 197.322 2.143 10 0 AEAEMO CCCCCC[N@H+]1CC[C@H](O)[C@@H]1C 1645674721 1170878891 /nfs/dbraw/zinc/87/88/91/1170878891.db2.gz AZOCGANEGKBUSF-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO COCCCC[N@H+]1C[C@H]2CCCC[C@H]21 1646923911 1170879890 /nfs/dbraw/zinc/87/98/90/1170879890.db2.gz VDBDNADAWZSKSI-VXGBXAGGSA-N 1 1 197.322 2.287 10 0 AEAEMO CCC(CC)[N@@H+](CC)CC1=NOCC1 1645955256 1170881775 /nfs/dbraw/zinc/88/17/75/1170881775.db2.gz BYNRVORBGYTMCI-UHFFFAOYSA-N 1 1 198.310 2.273 10 0 AEAEMO CCC[N@H+]1CCCC[C@@]12CCCOC2 1648661767 1170884148 /nfs/dbraw/zinc/88/41/48/1170884148.db2.gz UOWSZHHFFSXCIS-LBPRGKRZSA-N 1 1 197.322 2.432 10 0 AEAEMO CCC[C@@H]1CCC[N@H+]1C[C@@H]1CCOC1 1648535388 1170884176 /nfs/dbraw/zinc/88/41/76/1170884176.db2.gz OBCOAXSBWBNWHJ-NWDGAFQWSA-N 1 1 197.322 2.287 10 0 AEAEMO CCC[C@H]1CCC[N@H+]1C[C@@H]1CCOC1 1648535389 1170884827 /nfs/dbraw/zinc/88/48/27/1170884827.db2.gz OBCOAXSBWBNWHJ-RYUDHWBXSA-N 1 1 197.322 2.287 10 0 AEAEMO CCC[C@@H]1CCC[N@H+]1C[C@H]1CCOC1 1648535390 1170884916 /nfs/dbraw/zinc/88/49/16/1170884916.db2.gz OBCOAXSBWBNWHJ-VXGBXAGGSA-N 1 1 197.322 2.287 10 0 AEAEMO C[C@@H]1C[N@@H+](CC2CCC2)[C@H](C)CCO1 1648642356 1170885166 /nfs/dbraw/zinc/88/51/66/1170885166.db2.gz ZDNRTUGIEIRYIU-GHMZBOCLSA-N 1 1 197.322 2.286 10 0 AEAEMO Cc1conc1C[N@@H+](C)CC1CCC1 1648528612 1170885296 /nfs/dbraw/zinc/88/52/96/1170885296.db2.gz FERIXYZFABLEKJ-UHFFFAOYSA-N 1 1 194.278 2.215 10 0 AEAEMO CCC[C@H]1CCC[N@H+]1C[C@H]1CCOC1 1648535387 1170885701 /nfs/dbraw/zinc/88/57/01/1170885701.db2.gz OBCOAXSBWBNWHJ-NEPJUHHUSA-N 1 1 197.322 2.287 10 0 AEAEMO Cc1cnc(C[N@@H+](C)CC2CCC2)o1 1648528643 1170886721 /nfs/dbraw/zinc/88/67/21/1170886721.db2.gz HHSSRUFCZQFALP-UHFFFAOYSA-N 1 1 194.278 2.215 10 0 AEAEMO CC[N@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 1648473530 1170887018 /nfs/dbraw/zinc/88/70/18/1170887018.db2.gz KQAAGEDWJKOTNL-WHOHXGKFSA-N 1 1 177.291 2.150 10 0 AEAEMO CCC[N@H+]1CCCC[C@]12CCCOC2 1648661766 1170887178 /nfs/dbraw/zinc/88/71/78/1170887178.db2.gz UOWSZHHFFSXCIS-GFCCVEGCSA-N 1 1 197.322 2.432 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@@H+](C)CC1(CO)CC1 1653343416 1170904645 /nfs/dbraw/zinc/90/46/45/1170904645.db2.gz UFDVXYJZRPKTMY-QWRGUYRKSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)C[N@@H+](C)CC12COC(C)(C1)C2 1653235460 1170905209 /nfs/dbraw/zinc/90/52/09/1170905209.db2.gz QINABWHBQXTYSR-UHFFFAOYSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[C@H](C)[C@@H](C)[N@@H+](C)CC1(CO)CC1 1653343417 1170906498 /nfs/dbraw/zinc/90/64/98/1170906498.db2.gz UFDVXYJZRPKTMY-WDEREUQCSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H](C)[C@H](C)[N@@H+](C)CC1(CO)CC1 1653343415 1170906668 /nfs/dbraw/zinc/90/66/68/1170906668.db2.gz UFDVXYJZRPKTMY-MNOVXSKESA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H](C)[C@@H](C)[N@@H+](C)CC1(CO)CC1 1653343414 1170907535 /nfs/dbraw/zinc/90/75/35/1170907535.db2.gz UFDVXYJZRPKTMY-GHMZBOCLSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC(CC)C[N@H+]1[C@H](C)CC[C@@H]1CO 1654647761 1170916344 /nfs/dbraw/zinc/91/63/44/1170916344.db2.gz IISOTFWYEVXZHN-ZYHUDNBSSA-N 1 1 199.338 2.268 10 0 AEAEMO C[N@@H+](CC[C@@H]1CCOC1)CC1CCC1 1654999483 1170916595 /nfs/dbraw/zinc/91/65/95/1170916595.db2.gz XNCVUDDOMBEFMW-GFCCVEGCSA-N 1 1 197.322 2.145 10 0 AEAEMO C[N@@H+](CC[C@H]1CCOC1)CC1CCC1 1654999484 1170916967 /nfs/dbraw/zinc/91/69/67/1170916967.db2.gz XNCVUDDOMBEFMW-LBPRGKRZSA-N 1 1 197.322 2.145 10 0 AEAEMO CC[N@H+]1CCC[C@H]1c1nc(C)c(C)[nH]1 1654765644 1170917724 /nfs/dbraw/zinc/91/77/24/1170917724.db2.gz KFPSRQXLNIWCBM-JTQLQIEISA-N 1 1 193.294 2.183 10 0 AEAEMO CO[C@H]1C[C@@H](C[N@@H+](C)CC2CCC2)C1 1654998590 1170918228 /nfs/dbraw/zinc/91/82/28/1170918228.db2.gz DAMUHOXAKZCZSK-TXEJJXNPSA-N 1 1 197.322 2.143 10 0 AEAEMO CCCCC[N@H+]1[C@H](C)CC[C@@H]1CO 1654644632 1170919005 /nfs/dbraw/zinc/91/90/05/1170919005.db2.gz KDUVDTQXEORAHW-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO CC[N@H+]1CCC[C@@H]1c1nc(C)c(C)[nH]1 1654765645 1170919265 /nfs/dbraw/zinc/91/92/65/1170919265.db2.gz KFPSRQXLNIWCBM-SNVBAGLBSA-N 1 1 193.294 2.183 10 0 AEAEMO CC[N@@H+]1CCc2cc(F)cc(F)c2C1 1655151009 1170920168 /nfs/dbraw/zinc/92/01/68/1170920168.db2.gz ZPFHNZCXKNJKLD-UHFFFAOYSA-N 1 1 197.228 2.343 10 0 AEAEMO CC[N@H+]1CCc2cc(F)cc(F)c2C1 1655151009 1170920171 /nfs/dbraw/zinc/92/01/71/1170920171.db2.gz ZPFHNZCXKNJKLD-UHFFFAOYSA-N 1 1 197.228 2.343 10 0 AEAEMO CCC[N@H+]1C[C@H]2CSC[C@@]2(C)C1 1655017048 1170920324 /nfs/dbraw/zinc/92/03/24/1170920324.db2.gz ONYXLFDXLNMHDZ-VHSXEESVSA-N 1 1 185.336 2.081 10 0 AEAEMO Cc1cc(Cn2cc[nH+]c2C)sn1 1656389187 1170922773 /nfs/dbraw/zinc/92/27/73/1170922773.db2.gz RPKJIZFIFYVMSY-UHFFFAOYSA-N 1 1 193.275 2.005 10 0 AEAEMO CCC[N@H+]1CCCC[C@]12CCOC2 1656549719 1170923364 /nfs/dbraw/zinc/92/33/64/1170923364.db2.gz TUCVNFUVQKDCEJ-LLVKDONJSA-N 1 1 183.295 2.041 10 0 AEAEMO CCC[C@H]1CCC[N@H+]1CCCOC 1656384198 1170923740 /nfs/dbraw/zinc/92/37/40/1170923740.db2.gz KBMMRWXMPHLPGL-NSHDSACASA-N 1 1 185.311 2.287 10 0 AEAEMO CCC[N@H+]1CCCC[C@@]12CCOC2 1656549723 1170924622 /nfs/dbraw/zinc/92/46/22/1170924622.db2.gz TUCVNFUVQKDCEJ-NSHDSACASA-N 1 1 183.295 2.041 10 0 AEAEMO CCCC[N@H+]1CCCC[C@]12CCOC2 1656548948 1170924696 /nfs/dbraw/zinc/92/46/96/1170924696.db2.gz HQPSAOHCRNWYSF-GFCCVEGCSA-N 1 1 197.322 2.432 10 0 AEAEMO CCCC[N@H+]1CCCC[C@@]12CCOC2 1656548949 1170924830 /nfs/dbraw/zinc/92/48/30/1170924830.db2.gz HQPSAOHCRNWYSF-LBPRGKRZSA-N 1 1 197.322 2.432 10 0 AEAEMO CCC[C@@H]1CCC[N@H+]1CCCOC 1656384197 1170924918 /nfs/dbraw/zinc/92/49/18/1170924918.db2.gz KBMMRWXMPHLPGL-LLVKDONJSA-N 1 1 185.311 2.287 10 0 AEAEMO CCCC[N@@H+](CC1=NOCC1)C1CC1 1656980791 1170926971 /nfs/dbraw/zinc/92/69/71/1170926971.db2.gz CZLVLIWDTUIZHJ-UHFFFAOYSA-N 1 1 196.294 2.027 10 0 AEAEMO CC/C=C\CC[N@H+]1[C@H](C)CC[C@@H]1CO 1659958267 1170944401 /nfs/dbraw/zinc/94/44/01/1170944401.db2.gz MEEJYRBYPGLPGC-XLMCQVRKSA-N 1 1 197.322 2.188 10 0 AEAEMO CC/C=C/CC[N@H+]1[C@H](C)CC[C@@H]1CO 1659958264 1170944485 /nfs/dbraw/zinc/94/44/85/1170944485.db2.gz MEEJYRBYPGLPGC-GKUNOOHESA-N 1 1 197.322 2.188 10 0 AEAEMO CC(C)C[N@H+]1C[C@@H](C)OCC[C@H]1C 1660663932 1170946722 /nfs/dbraw/zinc/94/67/22/1170946722.db2.gz XATIATOTQILSHE-GHMZBOCLSA-N 1 1 185.311 2.142 10 0 AEAEMO CCOCCC[N@@H+](C)CC1CCC1 1660489834 1170946758 /nfs/dbraw/zinc/94/67/58/1170946758.db2.gz UMRMKKZBHYAUHP-UHFFFAOYSA-N 1 1 185.311 2.145 10 0 AEAEMO CC(C)[C@@H]1CC[N@H+](C(C)(C)C)CC1=O 78632 571673847 /nfs/dbraw/zinc/67/38/47/571673847.db2.gz MFTFDOYJUQEWNK-JTQLQIEISA-N 1 1 197.322 2.332 10 0 AEAEMO CC(C)[C@H]1CC[N@@H+](C(C)(C)C)CC1=O 78629 571672339 /nfs/dbraw/zinc/67/23/39/571672339.db2.gz MFTFDOYJUQEWNK-SNVBAGLBSA-N 1 1 197.322 2.332 10 0 AEAEMO CC(C)[C@H]1CC[N@H+](C(C)(C)C)CC1=O 78629 571672340 /nfs/dbraw/zinc/67/23/40/571672340.db2.gz MFTFDOYJUQEWNK-SNVBAGLBSA-N 1 1 197.322 2.332 10 0 AEAEMO CC[C@](C)(CN)C[N@@H+]1CCC[C@H](C)C1 51210143 571672565 /nfs/dbraw/zinc/67/25/65/571672565.db2.gz VNCQNVJJMCVHOA-NWDGAFQWSA-N 1 1 198.354 2.093 10 0 AEAEMO CC[C@](C)(CN)C[N@H+]1CCC[C@H](C)C1 51210143 571672567 /nfs/dbraw/zinc/67/25/67/571672567.db2.gz VNCQNVJJMCVHOA-NWDGAFQWSA-N 1 1 198.354 2.093 10 0 AEAEMO CC[C@H]1CCC[N@@H+](CC(C)(C)CO)C1 51293496 571672574 /nfs/dbraw/zinc/67/25/74/571672574.db2.gz CQDQYTOFINHPEY-NSHDSACASA-N 1 1 199.338 2.127 10 0 AEAEMO CCC[C@H](N)C[N@H+]1CCC[C@H](C)[C@@H]1C 50564236 571672584 /nfs/dbraw/zinc/67/25/84/571672584.db2.gz VTRQWSQWYLSFIC-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H]([NH3+])CN1CCC[C@H](C)[C@@H]1C 50564236 571672586 /nfs/dbraw/zinc/67/25/86/571672586.db2.gz VTRQWSQWYLSFIC-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@](C)(CO)C[N@H+]1CCC[C@H](C)C1 51291779 571672603 /nfs/dbraw/zinc/67/26/03/571672603.db2.gz XGVCQTOBDMGZPP-RYUDHWBXSA-N 1 1 199.338 2.127 10 0 AEAEMO CC[C@@H]1CCC[N@@H+](CC(C)(C)CO)C1 51293494 571673051 /nfs/dbraw/zinc/67/30/51/571673051.db2.gz CQDQYTOFINHPEY-LLVKDONJSA-N 1 1 199.338 2.127 10 0 AEAEMO CCC[C@@](C)(CN)C[N@@H+]1CC[C@H](C)C1 51249970 571673600 /nfs/dbraw/zinc/67/36/00/571673600.db2.gz DSIXKMQCWPCNQA-RYUDHWBXSA-N 1 1 198.354 2.093 10 0 AEAEMO CCC[C@@](C)(CN)C[N@H+]1CC[C@H](C)C1 51249970 571673603 /nfs/dbraw/zinc/67/36/03/571673603.db2.gz DSIXKMQCWPCNQA-RYUDHWBXSA-N 1 1 198.354 2.093 10 0 AEAEMO CC[N@@H+](CC(C)(C)CO)C1CCCC1 51293261 571673695 /nfs/dbraw/zinc/67/36/95/571673695.db2.gz UTIBSLAUTARTOO-UHFFFAOYSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H](C[N@@H+]1CCC[C@H](C)[C@@H]1C)NC 50564253 571673707 /nfs/dbraw/zinc/67/37/07/571673707.db2.gz XVFGORHHSNDFOX-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C[N@H+]1CCC[C@H](C)[C@@H]1C)NC 50564253 571673708 /nfs/dbraw/zinc/67/37/08/571673708.db2.gz XVFGORHHSNDFOX-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[C@@H]1CC[N@@H+](C(C)(C)C)CC1=O 78632 571673842 /nfs/dbraw/zinc/67/38/42/571673842.db2.gz MFTFDOYJUQEWNK-JTQLQIEISA-N 1 1 197.322 2.332 10 0 AEAEMO CCC[C@H](CN)[N@H+]1CCC[C@H](C)[C@@H]1C 50563921 571673919 /nfs/dbraw/zinc/67/39/19/571673919.db2.gz LUOJBBFCNYJOHE-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)C[N@H+]1C[C@H](N)CC[C@@H]1C 51323266 571674023 /nfs/dbraw/zinc/67/40/23/571674023.db2.gz HAGZFVPZLYLELN-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)CN1C[C@H]([NH3+])CC[C@@H]1C 51323266 571674027 /nfs/dbraw/zinc/67/40/27/571674027.db2.gz HAGZFVPZLYLELN-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO C[N@@H+](CC(C)(C)CO)C1CCCCC1 51292323 571674105 /nfs/dbraw/zinc/67/41/05/571674105.db2.gz HTVCYBGBZGTRDN-UHFFFAOYSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@@](C)(CO)C[N@H+]1CC[C@H](C)C1 51294003 571674338 /nfs/dbraw/zinc/67/43/38/571674338.db2.gz KJJVIZFGOPTRRO-NWDGAFQWSA-N 1 1 199.338 2.127 10 0 AEAEMO CC(C)C[N@@H+](CC(C)(C)CO)C1CC1 51294412 571674420 /nfs/dbraw/zinc/67/44/20/571674420.db2.gz PUORGLWTRQGCLL-UHFFFAOYSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@](C)(CN)C[N@@H+]1CCC[C@H](C)C1 51210141 571674473 /nfs/dbraw/zinc/67/44/73/571674473.db2.gz VNCQNVJJMCVHOA-RYUDHWBXSA-N 1 1 198.354 2.093 10 0 AEAEMO CC[C@@](C)(CN)C[N@H+]1CCC[C@H](C)C1 51210141 571674476 /nfs/dbraw/zinc/67/44/76/571674476.db2.gz VNCQNVJJMCVHOA-RYUDHWBXSA-N 1 1 198.354 2.093 10 0 AEAEMO CC[C@H](C)[C@@]1(C)[C@H](NC)CC[N@@H+]1CC 712077209 571677333 /nfs/dbraw/zinc/67/73/33/571677333.db2.gz WLVFKMHKWZINAU-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@@]1(C)[C@H](NC)CC[N@H+]1CC 712077209 571677336 /nfs/dbraw/zinc/67/73/36/571677336.db2.gz WLVFKMHKWZINAU-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@H+]1CCC[C@@H](CC[C@H](C)O)C1 249989004 571678220 /nfs/dbraw/zinc/67/82/20/571678220.db2.gz NEWTZMQUACBTNS-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[N@@H+](C)[C@@H]1CCCCCC[C@@H]1N 37098369 571678726 /nfs/dbraw/zinc/67/87/26/571678726.db2.gz RQPUBCURFBSNLQ-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCN(C)[C@@H]1CCCCCC[C@@H]1[NH3+] 37098369 571678727 /nfs/dbraw/zinc/67/87/27/571678727.db2.gz RQPUBCURFBSNLQ-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[N@H+]1CCC[C@H](CC[C@H](C)O)C1 249989000 571678828 /nfs/dbraw/zinc/67/88/28/571678828.db2.gz NEWTZMQUACBTNS-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CC1CCC([N@H+](CCO)C(C)C)CC1 84837096 571679186 /nfs/dbraw/zinc/67/91/86/571679186.db2.gz KLXCPBBNKLQNQG-UHFFFAOYSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[NH2+]CC[C@H](C)[N@H+]1CCC[C@H](C)C1 52381668 571679409 /nfs/dbraw/zinc/67/94/09/571679409.db2.gz CJAQSKNEXWCSBY-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[N@@H+](C)[C@H]1CCCCCC[C@@H]1N 37098370 571679693 /nfs/dbraw/zinc/67/96/93/571679693.db2.gz RQPUBCURFBSNLQ-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCN(C)[C@H]1CCCCCC[C@@H]1[NH3+] 37098370 571679695 /nfs/dbraw/zinc/67/96/95/571679695.db2.gz RQPUBCURFBSNLQ-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[NH2+]C[C@H]1CCCN1C[C@H](C)CC 53648575 571679713 /nfs/dbraw/zinc/67/97/13/571679713.db2.gz UKMCDPSRYBOMOQ-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](CNC)[N@@H+]1CCC[C@H](C)[C@@H]1C 52373223 571679970 /nfs/dbraw/zinc/67/99/70/571679970.db2.gz PVTLQFUSYMZULC-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](CNC)[N@H+]1CCC[C@H](C)[C@@H]1C 52373223 571679971 /nfs/dbraw/zinc/67/99/71/571679971.db2.gz PVTLQFUSYMZULC-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@@H+](C)Cc1cc(C)ccc1N 70601684 571680247 /nfs/dbraw/zinc/68/02/47/571680247.db2.gz UEARCNSNRPVUAW-UHFFFAOYSA-N 1 1 192.306 2.419 10 0 AEAEMO C[NH2+]CC[C@H](C)[N@H+]1CC[C@@H](C)C[C@H]1C 52509975 571680316 /nfs/dbraw/zinc/68/03/16/571680316.db2.gz ZDRBIJDUJOTANQ-GRYCIOLGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCNC[C@H](CC)[N@@H+]1CCC[C@H]1CC 52374867 571680358 /nfs/dbraw/zinc/68/03/58/571680358.db2.gz CKHDLTKCXNDPHL-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCNC[C@H](CC)[N@H+]1CCC[C@H]1CC 52374867 571680361 /nfs/dbraw/zinc/68/03/61/571680361.db2.gz CKHDLTKCXNDPHL-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CNC[C@H](C)[NH2+]CC1(C)CCCCC1 234401828 571680454 /nfs/dbraw/zinc/68/04/54/571680454.db2.gz NCNVBJULMGPVBM-NSHDSACASA-N 1 1 198.354 2.154 10 0 AEAEMO C[N@H+](C[C@@H]1CCCCN1)C1CCCC1 37092904 571680688 /nfs/dbraw/zinc/68/06/88/571680688.db2.gz WRAQBYXYVCQLFK-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO C[N@@H+](C[C@@H]1CCCCN1)C1CCCC1 37092904 571680690 /nfs/dbraw/zinc/68/06/90/571680690.db2.gz WRAQBYXYVCQLFK-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[NH2+]CC[C@H](C)[N@@H+](C)[C@H](C)CC 52444328 571680770 /nfs/dbraw/zinc/68/07/70/571680770.db2.gz FLJLJMKAFVNYFL-MNOVXSKESA-N 1 1 186.343 2.105 10 0 AEAEMO CCC[NH2+]CC[C@@H](C)[N@H+]1CC[C@H](C)C1 52484736 571681765 /nfs/dbraw/zinc/68/17/65/571681765.db2.gz OBDAUPHPLJCOPV-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)[C@@H](C)[N@@H+]1CCC[C@H](NC)C1 53201134 571681788 /nfs/dbraw/zinc/68/17/88/571681788.db2.gz YMWNIGSRRYMKAA-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@@H](C)[N@H+]1CCC[C@H](NC)C1 53201134 571681791 /nfs/dbraw/zinc/68/17/91/571681791.db2.gz YMWNIGSRRYMKAA-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO C[NH2+]CC[C@H](C)[N@H+]1CC[C@H](C)C[C@H]1C 52509978 571682676 /nfs/dbraw/zinc/68/26/76/571682676.db2.gz ZDRBIJDUJOTANQ-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C[NH2+]C(C)C)N1CC[C@H](C)C1 52484324 571682708 /nfs/dbraw/zinc/68/27/08/571682708.db2.gz QNKLWURZIUVLLM-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C(C)C)[N@@H+]1CCC[C@H](NC)C1 53201144 571682785 /nfs/dbraw/zinc/68/27/85/571682785.db2.gz UKKUKBHSNYHWPM-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C(C)C)[N@H+]1CCC[C@H](NC)C1 53201144 571682787 /nfs/dbraw/zinc/68/27/87/571682787.db2.gz UKKUKBHSNYHWPM-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[NH2+]CC[C@H](C)[N@H+]1CC[C@H](C)C1 52484738 571683162 /nfs/dbraw/zinc/68/31/62/571683162.db2.gz OBDAUPHPLJCOPV-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[NH2+]CC[C@@H](C)[N@H+]1CCC[C@H](C)C1 52381666 571683418 /nfs/dbraw/zinc/68/34/18/571683418.db2.gz CJAQSKNEXWCSBY-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@@H+]1CCC[C@H](NC)C1 53201136 571683469 /nfs/dbraw/zinc/68/34/69/571683469.db2.gz YMWNIGSRRYMKAA-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@H+]1CCC[C@H](NC)C1 53201136 571683474 /nfs/dbraw/zinc/68/34/74/571683474.db2.gz YMWNIGSRRYMKAA-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CC[C@@H](O)[C@H](C[N@@H+](C)CC)C1 53882705 571685109 /nfs/dbraw/zinc/68/51/09/571685109.db2.gz ODODMGYDHJOCKT-GRYCIOLGSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)[N@H+](C)C[C@H]1CCN(C)C1 687715736 571685369 /nfs/dbraw/zinc/68/53/69/571685369.db2.gz ZUNKBVIUCWHCLJ-RYUDHWBXSA-N 1 1 198.354 2.059 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)C[C@H]1CCN(C)C1 687715736 571685371 /nfs/dbraw/zinc/68/53/71/571685371.db2.gz ZUNKBVIUCWHCLJ-RYUDHWBXSA-N 1 1 198.354 2.059 10 0 AEAEMO OCCC[C@@H]1CCC[N@H+]1C1CCCC1 52762314 571685524 /nfs/dbraw/zinc/68/55/24/571685524.db2.gz PHLYAJUWVSUXCT-LBPRGKRZSA-N 1 1 197.322 2.166 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(C)C1 687715734 571687385 /nfs/dbraw/zinc/68/73/85/571687385.db2.gz ZUNKBVIUCWHCLJ-NEPJUHHUSA-N 1 1 198.354 2.059 10 0 AEAEMO CC[C@@H]1CC[C@H](O)[C@H](C[N@@H+](C)CC)C1 53882701 571685709 /nfs/dbraw/zinc/68/57/09/571685709.db2.gz ODODMGYDHJOCKT-WOPDTQHZSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)C[N@@H+](CC1(O)CCC1)C(C)C 687715490 571686020 /nfs/dbraw/zinc/68/60/20/571686020.db2.gz XECLQKKFJHKKIQ-UHFFFAOYSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[N@@H+](C)C[C@@H]1C[C@H](C)CCC1=O 53926438 571686109 /nfs/dbraw/zinc/68/61/09/571686109.db2.gz LKZWFIPWPCPYTB-MNOVXSKESA-N 1 1 197.322 2.334 10 0 AEAEMO CC(=O)CC[C@@H]1C[C@@]12CCC[N@H+](C)C2 213891096 571686176 /nfs/dbraw/zinc/68/61/76/571686176.db2.gz LBMWEMNQSZCNBF-VXGBXAGGSA-N 1 1 195.306 2.088 10 0 AEAEMO CC(=O)CC[C@H]1C[C@]12CCC[N@H+](C)C2 213891932 571686402 /nfs/dbraw/zinc/68/64/02/571686402.db2.gz LBMWEMNQSZCNBF-RYUDHWBXSA-N 1 1 195.306 2.088 10 0 AEAEMO CC(=O)C[C@@H]1C[C@@]12CCC[N@H+](C)CC2 213890678 571686735 /nfs/dbraw/zinc/68/67/35/571686735.db2.gz CKXWZSLMFWKXOQ-NEPJUHHUSA-N 1 1 195.306 2.088 10 0 AEAEMO OCCCC[N@H+]1C[C@@H]2CCCCC[C@@H]21 687715416 571686811 /nfs/dbraw/zinc/68/68/11/571686811.db2.gz ONZMYKTVVBXBCX-RYUDHWBXSA-N 1 1 197.322 2.023 10 0 AEAEMO OCCCC[N@H+]1C[C@H]2CCCCC[C@H]21 687715417 571686942 /nfs/dbraw/zinc/68/69/42/571686942.db2.gz ONZMYKTVVBXBCX-VXGBXAGGSA-N 1 1 197.322 2.023 10 0 AEAEMO CC[C@@H](CN)[N@H+]1CCC[C@@H](CC)CC1 70612933 571688249 /nfs/dbraw/zinc/68/82/49/571688249.db2.gz HVNKQQVKQGHIRC-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(=O)CC[C@H]1C[C@@]12CCC[N@H+](C)C2 213891830 571687104 /nfs/dbraw/zinc/68/71/04/571687104.db2.gz LBMWEMNQSZCNBF-NWDGAFQWSA-N 1 1 195.306 2.088 10 0 AEAEMO CC(=O)C[C@H]1C[C@]12CCC[N@H+](C)CC2 213890852 571687301 /nfs/dbraw/zinc/68/73/01/571687301.db2.gz CKXWZSLMFWKXOQ-NWDGAFQWSA-N 1 1 195.306 2.088 10 0 AEAEMO CCC[C@@H](C)[N@H+](C)C[C@H]1CCN(C)C1 687715734 571687382 /nfs/dbraw/zinc/68/73/82/571687382.db2.gz ZUNKBVIUCWHCLJ-NEPJUHHUSA-N 1 1 198.354 2.059 10 0 AEAEMO CCC[C@@H]1CCC[N@@H+](CC(C)=O)CC1 70613902 571687691 /nfs/dbraw/zinc/68/76/91/571687691.db2.gz GQTGATODJUZHKM-GFCCVEGCSA-N 1 1 197.322 2.478 10 0 AEAEMO CC(=O)C[C@H]1C[C@@]12CCC[N@H+](C)CC2 213890741 571687853 /nfs/dbraw/zinc/68/78/53/571687853.db2.gz CKXWZSLMFWKXOQ-RYUDHWBXSA-N 1 1 195.306 2.088 10 0 AEAEMO CC(=O)C[C@@H]1C[C@]12CCC[N@H+](C)CC2 213890792 571687951 /nfs/dbraw/zinc/68/79/51/571687951.db2.gz CKXWZSLMFWKXOQ-VXGBXAGGSA-N 1 1 195.306 2.088 10 0 AEAEMO CCC[C@@H](C)[N@H+](C)C[C@@H]1CCN(C)C1 687715737 571688041 /nfs/dbraw/zinc/68/80/41/571688041.db2.gz ZUNKBVIUCWHCLJ-VXGBXAGGSA-N 1 1 198.354 2.059 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C)C1 687715737 571688044 /nfs/dbraw/zinc/68/80/44/571688044.db2.gz ZUNKBVIUCWHCLJ-VXGBXAGGSA-N 1 1 198.354 2.059 10 0 AEAEMO CC(=O)CC[C@@H]1C[C@]12CCC[N@H+](C)C2 213891863 571688113 /nfs/dbraw/zinc/68/81/13/571688113.db2.gz LBMWEMNQSZCNBF-NEPJUHHUSA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@H]1CCC[N@H+]1CC[C@H](O)C(C)(C)C 54046712 571688734 /nfs/dbraw/zinc/68/87/34/571688734.db2.gz DOLFDSFXXYXPLH-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H]1CCC[N@H+](C[C@@H](C)NC)CC1 70613196 571688149 /nfs/dbraw/zinc/68/81/49/571688149.db2.gz LWOXEMRTRPRHKF-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H]1CCC[N@@H+](C[C@@H](C)NC)CC1 70613196 571688151 /nfs/dbraw/zinc/68/81/51/571688151.db2.gz LWOXEMRTRPRHKF-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C)C1 687715735 571688242 /nfs/dbraw/zinc/68/82/42/571688242.db2.gz ZUNKBVIUCWHCLJ-NWDGAFQWSA-N 1 1 198.354 2.059 10 0 AEAEMO CCC[N@@H+](C)C[C@H]1C[C@H](C)CCC1=O 53926440 571688178 /nfs/dbraw/zinc/68/81/78/571688178.db2.gz LKZWFIPWPCPYTB-GHMZBOCLSA-N 1 1 197.322 2.334 10 0 AEAEMO CCC[C@H](C)[N@H+](C)C[C@@H]1CCN(C)C1 687715735 571688239 /nfs/dbraw/zinc/68/82/39/571688239.db2.gz ZUNKBVIUCWHCLJ-NWDGAFQWSA-N 1 1 198.354 2.059 10 0 AEAEMO CC[C@H]1CCC[N@H+](C[C@H](N)CC)CC1 70613172 571688338 /nfs/dbraw/zinc/68/83/38/571688338.db2.gz UQALWZCBOMGVHZ-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H]1CCCN(C[C@H]([NH3+])CC)CC1 70613172 571688341 /nfs/dbraw/zinc/68/83/41/571688341.db2.gz UQALWZCBOMGVHZ-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H]1CCC[N@@H+](CCC(C)=O)CC1 70609749 571688369 /nfs/dbraw/zinc/68/83/69/571688369.db2.gz DCCAGQZBJHSACM-LBPRGKRZSA-N 1 1 197.322 2.478 10 0 AEAEMO CC[C@@H]1CCC[N@@H+](C[C@@H](C)NC)CC1 70613195 571688605 /nfs/dbraw/zinc/68/86/05/571688605.db2.gz LWOXEMRTRPRHKF-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H]1CCC[N@@H+](C[C@@H](C)N)CC1 70613243 571688737 /nfs/dbraw/zinc/68/87/37/571688737.db2.gz YATWOLOKGVINPG-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H]1CCC[N@H+](C[C@@H](C)NC)CC1 70613195 571688603 /nfs/dbraw/zinc/68/86/03/571688603.db2.gz LWOXEMRTRPRHKF-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H]1CCCN(C[C@@H](C)[NH3+])CC1 70613243 571688738 /nfs/dbraw/zinc/68/87/38/571688738.db2.gz YATWOLOKGVINPG-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)C[N@@H+](C)[C@H]1CCCCC[C@@H]1N 37108351 571688678 /nfs/dbraw/zinc/68/86/78/571688678.db2.gz MZSMETREIUDBBF-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CCN(CC)CC[N@H+]1C[C@H](C)C[C@@H]1C 687715349 571688683 /nfs/dbraw/zinc/68/86/83/571688683.db2.gz UPOFADJHLKYQBB-NEPJUHHUSA-N 1 1 198.354 2.059 10 0 AEAEMO C[N@H+](C1CCCC1)[C@@H](CO)C(C)(C)C 687715779 571688689 /nfs/dbraw/zinc/68/86/89/571688689.db2.gz CDJNRIBLPPVGTM-NSHDSACASA-N 1 1 199.338 2.268 10 0 AEAEMO CCC1=NO[C@H](C[N@H+](C)[C@H](C)CC)C1 687715584 571688697 /nfs/dbraw/zinc/68/86/97/571688697.db2.gz FRLVKYKOLFWARJ-KOLCDFICSA-N 1 1 198.310 2.272 10 0 AEAEMO CC[C@H]1CCC[N@H+]([C@@H](CC)CN)CC1 70612934 571688770 /nfs/dbraw/zinc/68/87/70/571688770.db2.gz HVNKQQVKQGHIRC-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC1=NO[C@H](C[N@H+](C)[C@@H](C)CC)C1 687715586 571688749 /nfs/dbraw/zinc/68/87/49/571688749.db2.gz FRLVKYKOLFWARJ-ONGXEEELSA-N 1 1 198.310 2.272 10 0 AEAEMO CC(C)C[N@@H+](C)[C@@H]1C[C@@H](C)CC[C@H]1N 37108361 571688750 /nfs/dbraw/zinc/68/87/50/571688750.db2.gz HFOZNPJRYKIIQG-QJPTWQEYSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H](c1ccco1)[N@@H+](C)CC(C)(C)O 687715297 571688761 /nfs/dbraw/zinc/68/87/61/571688761.db2.gz AFDQOISUTNCFQY-SECBINFHSA-N 1 1 197.278 2.043 10 0 AEAEMO CC[C@@H]1CCC[N@@H+](CCC(C)=O)CC1 70609748 571688899 /nfs/dbraw/zinc/68/88/99/571688899.db2.gz DCCAGQZBJHSACM-GFCCVEGCSA-N 1 1 197.322 2.478 10 0 AEAEMO CC(C)(C)[N@@H+](CCCO)C1CCCC1 687715315 571688943 /nfs/dbraw/zinc/68/89/43/571688943.db2.gz JIATWAYWMVHGDB-UHFFFAOYSA-N 1 1 199.338 2.412 10 0 AEAEMO CCN(CC)CC[N@H+]1C[C@@H](C)C[C@@H]1C 687715351 571689013 /nfs/dbraw/zinc/68/90/13/571689013.db2.gz UPOFADJHLKYQBB-RYUDHWBXSA-N 1 1 198.354 2.059 10 0 AEAEMO CC(C)[N@@H+](CC(C)(C)O)C1CCCC1 687715312 571689024 /nfs/dbraw/zinc/68/90/24/571689024.db2.gz IPFHDXNCYSDPKO-UHFFFAOYSA-N 1 1 199.338 2.410 10 0 AEAEMO CCN(CC)CC[N@H+]1C[C@H](C)C[C@H]1C 687715352 571689039 /nfs/dbraw/zinc/68/90/39/571689039.db2.gz UPOFADJHLKYQBB-VXGBXAGGSA-N 1 1 198.354 2.059 10 0 AEAEMO C[C@H]1CC[N@@H+](CC[C@H](O)C(C)(C)C)C1 54047139 571689116 /nfs/dbraw/zinc/68/91/16/571689116.db2.gz DCMXSLYKWALMKK-QWRGUYRKSA-N 1 1 199.338 2.125 10 0 AEAEMO C[N@H+](C1CCCC1)[C@H](CO)C(C)(C)C 687715778 571689122 /nfs/dbraw/zinc/68/91/22/571689122.db2.gz CDJNRIBLPPVGTM-LLVKDONJSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC1=NO[C@@H](C[N@H+](C)[C@H](C)CC)C1 687715585 571689128 /nfs/dbraw/zinc/68/91/28/571689128.db2.gz FRLVKYKOLFWARJ-MWLCHTKSSA-N 1 1 198.310 2.272 10 0 AEAEMO CCC[C@H]1CCC[N@@H+](CC(C)=O)CC1 70613903 571689159 /nfs/dbraw/zinc/68/91/59/571689159.db2.gz GQTGATODJUZHKM-LBPRGKRZSA-N 1 1 197.322 2.478 10 0 AEAEMO CCC(CC)[N@@H+](C1CC1)[C@@H]1CCOC1 687715307 571689166 /nfs/dbraw/zinc/68/91/66/571689166.db2.gz FYQZKBOJNPIPKI-GFCCVEGCSA-N 1 1 197.322 2.428 10 0 AEAEMO CCC1=NO[C@@H](C[N@H+](C)[C@@H](C)CC)C1 687715581 571689210 /nfs/dbraw/zinc/68/92/10/571689210.db2.gz FRLVKYKOLFWARJ-GXSJLCMTSA-N 1 1 198.310 2.272 10 0 AEAEMO C[C@@H]1CC[N@@H+](CC[C@H](O)C(C)(C)C)C1 54047137 571689222 /nfs/dbraw/zinc/68/92/22/571689222.db2.gz DCMXSLYKWALMKK-MNOVXSKESA-N 1 1 199.338 2.125 10 0 AEAEMO C[NH2+]C1(C[C@H]2CCCCC[N@H+]2C)CC1 213972761 571689245 /nfs/dbraw/zinc/68/92/45/571689245.db2.gz YPOWCOOVNJFJLA-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CCN(CC)CC[N@H+]1C[C@@H](C)C[C@H]1C 687715350 571689247 /nfs/dbraw/zinc/68/92/47/571689247.db2.gz UPOFADJHLKYQBB-NWDGAFQWSA-N 1 1 198.354 2.059 10 0 AEAEMO C[C@@H](c1ccco1)[N@@H+](C)CC(C)(C)O 687715298 571689254 /nfs/dbraw/zinc/68/92/54/571689254.db2.gz AFDQOISUTNCFQY-VIFPVBQESA-N 1 1 197.278 2.043 10 0 AEAEMO CCC(CC)[C@H](C)[N@@H+]1CC[C@H](NC)C1 70558283 571689468 /nfs/dbraw/zinc/68/94/68/571689468.db2.gz RAPIVPQHTNSLHX-JQWIXIFHSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(CC)[C@H](C)[N@H+]1CC[C@H](NC)C1 70558283 571689471 /nfs/dbraw/zinc/68/94/71/571689471.db2.gz RAPIVPQHTNSLHX-JQWIXIFHSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[N@@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1N 37108358 571689521 /nfs/dbraw/zinc/68/95/21/571689521.db2.gz HFOZNPJRYKIIQG-GRYCIOLGSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@H]1CCC[N@H+]([C@@H](C)[C@@H](C)O)CC1 70614080 571689575 /nfs/dbraw/zinc/68/95/75/571689575.db2.gz KZOLRWKAIINXKW-TUAOUCFPSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@H]1CCCCC[C@@H]1N 37109951 571689636 /nfs/dbraw/zinc/68/96/36/571689636.db2.gz HVZAWHIDRBPLMC-SDDRHHMPSA-N 1 1 198.354 2.377 10 0 AEAEMO CCC(=O)C[N@@H+]1CCC[C@@H](CC)CC1 70613860 571689648 /nfs/dbraw/zinc/68/96/48/571689648.db2.gz ALNPHMRBQBXFHX-LLVKDONJSA-N 1 1 197.322 2.478 10 0 AEAEMO CCC(CC)[C@@H](C)[N@@H+]1CC[C@H](NC)C1 70558282 571689654 /nfs/dbraw/zinc/68/96/54/571689654.db2.gz RAPIVPQHTNSLHX-PWSUYJOCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(CC)[C@@H](C)[N@H+]1CC[C@H](NC)C1 70558282 571689656 /nfs/dbraw/zinc/68/96/56/571689656.db2.gz RAPIVPQHTNSLHX-PWSUYJOCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCC[C@H](C)[C@@H]1CO 687716182 571689657 /nfs/dbraw/zinc/68/96/57/571689657.db2.gz LKZGGIOHFMRCQO-SRVKXCTJSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H](N)C[N@H+]1CCC[C@@H](CC)CC1 70613171 571689847 /nfs/dbraw/zinc/68/98/47/571689847.db2.gz UQALWZCBOMGVHZ-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H]([NH3+])CN1CCC[C@@H](CC)CC1 70613171 571689852 /nfs/dbraw/zinc/68/98/52/571689852.db2.gz UQALWZCBOMGVHZ-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H]1CCC[N@H+]([C@@H](C)[C@@H](C)N)CC1 70613202 571689978 /nfs/dbraw/zinc/68/99/78/571689978.db2.gz XEPNAIYMGYFDJC-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]1CCCN([C@@H](C)[C@@H](C)[NH3+])CC1 70613202 571689981 /nfs/dbraw/zinc/68/99/81/571689981.db2.gz XEPNAIYMGYFDJC-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[N@@H+](C)[C@@H]1C[C@@H](C)CC[C@@H]1N 37108359 571690094 /nfs/dbraw/zinc/69/00/94/571690094.db2.gz HFOZNPJRYKIIQG-SDDRHHMPSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[N@@H+](C)[C@@H]1CCCCC[C@@H]1N 37108350 571690113 /nfs/dbraw/zinc/69/01/13/571690113.db2.gz MZSMETREIUDBBF-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)C[N@H+]1[C@@H](C)CCC[C@@H]1CO 687716224 571690177 /nfs/dbraw/zinc/69/01/77/571690177.db2.gz MDRSAAYMFZFHEY-SDDRHHMPSA-N 1 1 199.338 2.268 10 0 AEAEMO Cc1cnc(C[N@@H+]2[C@@H](C)CC2(C)C)o1 687716380 571690184 /nfs/dbraw/zinc/69/01/84/571690184.db2.gz ZIGFKEWQUCPELD-QMMMGPOBSA-N 1 1 194.278 2.356 10 0 AEAEMO Cc1cnc(C[N@H+]2[C@@H](C)CC2(C)C)o1 687716380 571690186 /nfs/dbraw/zinc/69/01/86/571690186.db2.gz ZIGFKEWQUCPELD-QMMMGPOBSA-N 1 1 194.278 2.356 10 0 AEAEMO CCC[C@H]1CCC[N@@H+](C[C@@H](C)N)CC1 70613244 571690261 /nfs/dbraw/zinc/69/02/61/571690261.db2.gz YATWOLOKGVINPG-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H]1CCCN(C[C@@H](C)[NH3+])CC1 70613244 571690263 /nfs/dbraw/zinc/69/02/63/571690263.db2.gz YATWOLOKGVINPG-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC(=O)C[N@@H+]1CCC[C@H](CC)CC1 70613861 571690359 /nfs/dbraw/zinc/69/03/59/571690359.db2.gz ALNPHMRBQBXFHX-NSHDSACASA-N 1 1 197.322 2.478 10 0 AEAEMO Cc1cc(C[N@@H+]2[C@H](C)CC2(C)C)no1 687716132 571690382 /nfs/dbraw/zinc/69/03/82/571690382.db2.gz DHEVCKVLVQQSAK-MRVPVSSYSA-N 1 1 194.278 2.356 10 0 AEAEMO Cc1cc(C[N@H+]2[C@H](C)CC2(C)C)no1 687716132 571690384 /nfs/dbraw/zinc/69/03/84/571690384.db2.gz DHEVCKVLVQQSAK-MRVPVSSYSA-N 1 1 194.278 2.356 10 0 AEAEMO Cc1cnc(C[N@@H+]2[C@H](C)CC2(C)C)o1 687716379 571691625 /nfs/dbraw/zinc/69/16/25/571691625.db2.gz ZIGFKEWQUCPELD-MRVPVSSYSA-N 1 1 194.278 2.356 10 0 AEAEMO C[NH2+]C1(C[C@@H]2CCCCC[N@H+]2C)CC1 213972705 571690452 /nfs/dbraw/zinc/69/04/52/571690452.db2.gz YPOWCOOVNJFJLA-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO Cc1cnc(C[N@H+]2[C@H](C)CC2(C)C)o1 687716379 571691627 /nfs/dbraw/zinc/69/16/27/571691627.db2.gz ZIGFKEWQUCPELD-MRVPVSSYSA-N 1 1 194.278 2.356 10 0 AEAEMO Cc1cc(C[N@@H+]2[C@@H](C)CC2(C)C)no1 687716133 571690646 /nfs/dbraw/zinc/69/06/46/571690646.db2.gz DHEVCKVLVQQSAK-QMMMGPOBSA-N 1 1 194.278 2.356 10 0 AEAEMO Cc1cc(C[N@H+]2[C@@H](C)CC2(C)C)no1 687716133 571690649 /nfs/dbraw/zinc/69/06/49/571690649.db2.gz DHEVCKVLVQQSAK-QMMMGPOBSA-N 1 1 194.278 2.356 10 0 AEAEMO CCCC[C@H]1[C@@H](N)CC[N@H+]1CC(C)C 712084087 571690657 /nfs/dbraw/zinc/69/06/57/571690657.db2.gz JOJZVXWMUODTEH-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)C[N@H+]1C[C@@H](CO)CC[C@@H]1C 687716175 571690706 /nfs/dbraw/zinc/69/07/06/571690706.db2.gz HWILDNCENQQRBP-SRVKXCTJSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@@H]1CC(C)(C)[N@H+]1C[C@@H]1CCCOC1 687716319 571690750 /nfs/dbraw/zinc/69/07/50/571690750.db2.gz DVCFOOMBVQWQKW-MNOVXSKESA-N 1 1 197.322 2.286 10 0 AEAEMO Cc1nc[nH]c1C[N@H+]1CCCC1(C)C 687716191 571690782 /nfs/dbraw/zinc/69/07/82/571690782.db2.gz QHDSRYZUVQDYPZ-UHFFFAOYSA-N 1 1 193.294 2.093 10 0 AEAEMO CC[C@H](C)C[N@H+]1C[C@@H](CO)CC[C@H]1C 687716176 571691289 /nfs/dbraw/zinc/69/12/89/571691289.db2.gz HWILDNCENQQRBP-TUAOUCFPSA-N 1 1 199.338 2.125 10 0 AEAEMO Cc1ocnc1C[N@@H+]1[C@H](C)CC1(C)C 687716324 571691302 /nfs/dbraw/zinc/69/13/02/571691302.db2.gz JPGWRCCLUVVJKN-MRVPVSSYSA-N 1 1 194.278 2.356 10 0 AEAEMO Cc1ocnc1C[N@H+]1[C@H](C)CC1(C)C 687716324 571691305 /nfs/dbraw/zinc/69/13/05/571691305.db2.gz JPGWRCCLUVVJKN-MRVPVSSYSA-N 1 1 194.278 2.356 10 0 AEAEMO CCCC[C@@H]1[C@H](N)CC[N@H+]1CC(C)C 712084089 571691323 /nfs/dbraw/zinc/69/13/23/571691323.db2.gz JOJZVXWMUODTEH-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCC[C@H](C)[C@H]1CO 687716180 571691365 /nfs/dbraw/zinc/69/13/65/571691365.db2.gz LKZGGIOHFMRCQO-SDDRHHMPSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](C)C[N@H+]1C[C@H](CO)CC[C@H]1C 687716173 571691372 /nfs/dbraw/zinc/69/13/72/571691372.db2.gz HWILDNCENQQRBP-QJPTWQEYSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCC[C@@H](C)[C@@H]1CO 687716183 571691396 /nfs/dbraw/zinc/69/13/96/571691396.db2.gz LKZGGIOHFMRCQO-TUAOUCFPSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H]1CCC[C@@](CN)([N@@H+](C)CC)C1 70563099 571691417 /nfs/dbraw/zinc/69/14/17/571691417.db2.gz KDXAQYUEYKQIDV-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H]1CCC[C@@](C[NH3+])(N(C)CC)C1 70563099 571691422 /nfs/dbraw/zinc/69/14/22/571691422.db2.gz KDXAQYUEYKQIDV-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO C[N@@H+](Cc1ncc[nH]1)C1CCCCC1 687716254 571691491 /nfs/dbraw/zinc/69/14/91/571691491.db2.gz BXLGHNKWQCUUGZ-UHFFFAOYSA-N 1 1 193.294 2.174 10 0 AEAEMO CCCC[C@@H]1[C@@H](N)CC[N@H+]1CC(C)C 712084085 571691822 /nfs/dbraw/zinc/69/18/22/571691822.db2.gz JOJZVXWMUODTEH-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)C[N@H+]1[C@H](C)CCC[C@@H]1CO 687716223 571692888 /nfs/dbraw/zinc/69/28/88/571692888.db2.gz MDRSAAYMFZFHEY-QJPTWQEYSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H]1CCC[C@](CN)([N@@H+](C)CC)C1 70563102 571692889 /nfs/dbraw/zinc/69/28/89/571692889.db2.gz KDXAQYUEYKQIDV-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H]1CCC[C@](C[NH3+])(N(C)CC)C1 70563102 571692891 /nfs/dbraw/zinc/69/28/91/571692891.db2.gz KDXAQYUEYKQIDV-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H](C)C[N@H+]1C[C@H](CO)CC[C@@H]1C 687716174 571692157 /nfs/dbraw/zinc/69/21/57/571692157.db2.gz HWILDNCENQQRBP-SDDRHHMPSA-N 1 1 199.338 2.125 10 0 AEAEMO CCCC[N@@H+](C)[C@@H]1C[C@@H](O)CC[C@@H]1C 725364353 571692860 /nfs/dbraw/zinc/69/28/60/571692860.db2.gz IOQBIAOWJOICSC-SDDRHHMPSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H]1CCC[C@@](CN)([N@@H+](C)CC)C1 70563100 571692422 /nfs/dbraw/zinc/69/24/22/571692422.db2.gz KDXAQYUEYKQIDV-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H]1CCC[C@@](C[NH3+])(N(C)CC)C1 70563100 571692423 /nfs/dbraw/zinc/69/24/23/571692423.db2.gz KDXAQYUEYKQIDV-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@@H]1CC(C)(C)[N@H+]1C[C@H]1CCCOC1 687716318 571692897 /nfs/dbraw/zinc/69/28/97/571692897.db2.gz DVCFOOMBVQWQKW-GHMZBOCLSA-N 1 1 197.322 2.286 10 0 AEAEMO Cc1ocnc1C[N@@H+]1[C@@H](C)CC1(C)C 687716325 571692906 /nfs/dbraw/zinc/69/29/06/571692906.db2.gz JPGWRCCLUVVJKN-QMMMGPOBSA-N 1 1 194.278 2.356 10 0 AEAEMO Cc1ocnc1C[N@H+]1[C@@H](C)CC1(C)C 687716325 571692909 /nfs/dbraw/zinc/69/29/09/571692909.db2.gz JPGWRCCLUVVJKN-QMMMGPOBSA-N 1 1 194.278 2.356 10 0 AEAEMO CC[C@@H]1CCC[C@](CN)([N@@H+](C)CC)C1 70563101 571693128 /nfs/dbraw/zinc/69/31/28/571693128.db2.gz KDXAQYUEYKQIDV-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H]1CCC[C@](C[NH3+])(N(C)CC)C1 70563101 571693131 /nfs/dbraw/zinc/69/31/31/571693131.db2.gz KDXAQYUEYKQIDV-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@H]1CC(C)(C)[N@H+]1C[C@H]1CCCOC1 687716321 571693163 /nfs/dbraw/zinc/69/31/63/571693163.db2.gz DVCFOOMBVQWQKW-WDEREUQCSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@H]1CC(C)(C)[N@H+]1C[C@@H]1CCCOC1 687716320 571693292 /nfs/dbraw/zinc/69/32/92/571693292.db2.gz DVCFOOMBVQWQKW-QWRGUYRKSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@H]1CCC[C@H]([N@@H+](CC)CCO)C1 70567181 571696649 /nfs/dbraw/zinc/69/66/49/571696649.db2.gz FTBYNFHDSXNGEL-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)[N@@H+](CCO)[C@H]1CCC[C@@H](C)C1 70567136 571694054 /nfs/dbraw/zinc/69/40/54/571694054.db2.gz XOHWLGZKKFVFCX-NEPJUHHUSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H]1CCC[C@@H]([N@@H+](CCO)C2CC2)C1 70567147 571694346 /nfs/dbraw/zinc/69/43/46/571694346.db2.gz PRIFOODNCVSKST-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H]1CCC[C@H]([N@@H+](C)C[C@@H](C)N)C1 70567726 571694479 /nfs/dbraw/zinc/69/44/79/571694479.db2.gz XWXKVRFGRTZGJB-UTUOFQBUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CCC[C@H](N(C)C[C@@H](C)[NH3+])C1 70567726 571694481 /nfs/dbraw/zinc/69/44/81/571694481.db2.gz XWXKVRFGRTZGJB-UTUOFQBUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]1CCC[C@@H]([N@@H+](C)C[C@@H](C)O)C1 70567221 571694507 /nfs/dbraw/zinc/69/45/07/571694507.db2.gz ZEYSLVLUDRNIRP-GRYCIOLGSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[N@@H+](CCO)[C@H]1CCC[C@H](C)C1 70567137 571694519 /nfs/dbraw/zinc/69/45/19/571694519.db2.gz XOHWLGZKKFVFCX-RYUDHWBXSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H]1CCC[C@H]([N@@H+](CCO)C2CC2)C1 70567145 571694659 /nfs/dbraw/zinc/69/46/59/571694659.db2.gz PRIFOODNCVSKST-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H]1CCCC[C@]1(CN)[N@@H+](C)CC 70568359 571694710 /nfs/dbraw/zinc/69/47/10/571694710.db2.gz HGLXXLFEVDHTQI-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H]1CCC[C@H]([N@@H+](C)C[C@@H](C)O)C1 70567218 571694804 /nfs/dbraw/zinc/69/48/04/571694804.db2.gz ZEYSLVLUDRNIRP-UTUOFQBUSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H]1CCC[C@@H]([N@@H+](CC)CCO)C1 70567183 571694874 /nfs/dbraw/zinc/69/48/74/571694874.db2.gz FTBYNFHDSXNGEL-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO C[C@@H]1CCC[C@@H]([N@@H+](CCO)C2CC2)C1 70567146 571695037 /nfs/dbraw/zinc/69/50/37/571695037.db2.gz PRIFOODNCVSKST-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H]1CCCC[C@@]1(CN)[N@@H+](C)CC 70568357 571695198 /nfs/dbraw/zinc/69/51/98/571695198.db2.gz HGLXXLFEVDHTQI-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H]1CCC[C@H]([N@@H+](C)C[C@@H](C)O)C1 70567219 571695237 /nfs/dbraw/zinc/69/52/37/571695237.db2.gz ZEYSLVLUDRNIRP-WOPDTQHZSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[N@@H+](CCN)[C@@H]1CCC[C@@H](C)C1 70564982 571695304 /nfs/dbraw/zinc/69/53/04/571695304.db2.gz GXGLLAXKSNWIMM-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CCCC[C@@]1(CN)[N@@H+](C)CC 70568356 571695326 /nfs/dbraw/zinc/69/53/26/571695326.db2.gz HGLXXLFEVDHTQI-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)[N@@H+](CCN)[C@@H]1CCC[C@H](C)C1 70564983 571695468 /nfs/dbraw/zinc/69/54/68/571695468.db2.gz GXGLLAXKSNWIMM-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[N@@H+](CCN)[C@H]1CCC[C@@H](C)C1 70564980 571695534 /nfs/dbraw/zinc/69/55/34/571695534.db2.gz GXGLLAXKSNWIMM-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[N@@H+](CCN)[C@H]1CCC[C@H](C)C1 70564981 571696710 /nfs/dbraw/zinc/69/67/10/571696710.db2.gz GXGLLAXKSNWIMM-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+]1CC[C@H](NC)[C@@H]1C(C)(C)C 712105946 571695694 /nfs/dbraw/zinc/69/56/94/571695694.db2.gz QDAWFCGTXVBUPR-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@H+]1CC[C@H](NC)[C@@H]1C(C)(C)C 712105946 571695695 /nfs/dbraw/zinc/69/56/95/571695695.db2.gz QDAWFCGTXVBUPR-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CCCC[C@]1(CN)[N@@H+](C)CC 70568358 571695816 /nfs/dbraw/zinc/69/58/16/571695816.db2.gz HGLXXLFEVDHTQI-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H]1CCC[C@@H]([N@@H+](CC)CCO)C1 70567182 571696764 /nfs/dbraw/zinc/69/67/64/571696764.db2.gz FTBYNFHDSXNGEL-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@H]1CCC[C@@H]([N@@H+](C)C[C@@H](C)O)C1 70567220 571695953 /nfs/dbraw/zinc/69/59/53/571695953.db2.gz ZEYSLVLUDRNIRP-IJLUTSLNSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H]1CCC[C@@H]([N@@H+](C)C[C@@H](C)N)C1 70567728 571696024 /nfs/dbraw/zinc/69/60/24/571696024.db2.gz XWXKVRFGRTZGJB-IJLUTSLNSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CCC[C@@H](N(C)C[C@@H](C)[NH3+])C1 70567728 571696027 /nfs/dbraw/zinc/69/60/27/571696027.db2.gz XWXKVRFGRTZGJB-IJLUTSLNSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CCC[C@H]([N@@H+](CC)CCO)C1 70567180 571696126 /nfs/dbraw/zinc/69/61/26/571696126.db2.gz FTBYNFHDSXNGEL-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[N@H+]1CCCC[C@H]1C[C@H](C)CO 250035283 571696208 /nfs/dbraw/zinc/69/62/08/571696208.db2.gz SQQZGJSPNDWDCO-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)[N@@H+](CCO)[C@@H]1CCC[C@H](C)C1 70567139 571696219 /nfs/dbraw/zinc/69/62/19/571696219.db2.gz XOHWLGZKKFVFCX-NWDGAFQWSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](C)C[NH2+]N1CCCCC1 213934029 571696391 /nfs/dbraw/zinc/69/63/91/571696391.db2.gz UWBHIRUSAFTVBY-JTQLQIEISA-N 1 1 170.300 2.023 10 0 AEAEMO C[C@@H]1CCC[C@H]([N@@H+](CCO)C2CC2)C1 70567144 571696402 /nfs/dbraw/zinc/69/64/02/571696402.db2.gz PRIFOODNCVSKST-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H]1CCC[C@H]([N@@H+](C)C[C@@H](C)N)C1 70567727 571696423 /nfs/dbraw/zinc/69/64/23/571696423.db2.gz XWXKVRFGRTZGJB-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]1CCC[C@H](N(C)C[C@@H](C)[NH3+])C1 70567727 571696427 /nfs/dbraw/zinc/69/64/27/571696427.db2.gz XWXKVRFGRTZGJB-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)[N@@H+](C)Cc1cnns1 687716637 571696449 /nfs/dbraw/zinc/69/64/49/571696449.db2.gz YVSVPOWMIQLNCL-UHFFFAOYSA-N 1 1 199.323 2.159 10 0 AEAEMO CCC[N@@H+]1CC[C@@H](NC)[C@H]1C(C)(C)C 712105889 571696467 /nfs/dbraw/zinc/69/64/67/571696467.db2.gz QDAWFCGTXVBUPR-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@H+]1CC[C@@H](NC)[C@H]1C(C)(C)C 712105889 571696472 /nfs/dbraw/zinc/69/64/72/571696472.db2.gz QDAWFCGTXVBUPR-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CCC[C@@H]([N@@H+](C)C[C@@H](C)N)C1 70567729 571696687 /nfs/dbraw/zinc/69/66/87/571696687.db2.gz XWXKVRFGRTZGJB-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]1CCC[C@@H](N(C)C[C@@H](C)[NH3+])C1 70567729 571696692 /nfs/dbraw/zinc/69/66/92/571696692.db2.gz XWXKVRFGRTZGJB-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[N@@H+](CCO)[C@@H]1CCC[C@@H](C)C1 70567138 571696787 /nfs/dbraw/zinc/69/67/87/571696787.db2.gz XOHWLGZKKFVFCX-VXGBXAGGSA-N 1 1 199.338 2.268 10 0 AEAEMO CC1CCN(C[C@H]([NH3+])C(C)(C)C)CC1 22565573 571696788 /nfs/dbraw/zinc/69/67/88/571696788.db2.gz SWBYLHSWZIQRJR-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)C[C@@H]1C(=O)CC[N@@H+]1C(C)C 712106391 571696850 /nfs/dbraw/zinc/69/68/50/571696850.db2.gz IWSXQLIYYKGMTJ-WDEREUQCSA-N 1 1 197.322 2.474 10 0 AEAEMO CC[C@H](C)C[C@@H]1C(=O)CC[N@H+]1C(C)C 712106391 571696853 /nfs/dbraw/zinc/69/68/53/571696853.db2.gz IWSXQLIYYKGMTJ-WDEREUQCSA-N 1 1 197.322 2.474 10 0 AEAEMO Cc1cc(C)c2c(c1)[nH+]c(C)n2C 76209710 571697074 /nfs/dbraw/zinc/69/70/74/571697074.db2.gz OZTOEUHRMDRRSE-UHFFFAOYSA-N 1 1 174.247 2.499 10 0 AEAEMO CCCC[C@H](C)NC[C@]1(C)CCC[NH2+]1 70619888 571697141 /nfs/dbraw/zinc/69/71/41/571697141.db2.gz DLHAPWIXRKLENW-RYUDHWBXSA-N 1 1 198.354 2.297 10 0 AEAEMO CCC[C@@H](C)C[NH2+]N1CCCCC1 213934117 571697351 /nfs/dbraw/zinc/69/73/51/571697351.db2.gz GNRGIMFMVUVRPG-LLVKDONJSA-N 1 1 184.327 2.413 10 0 AEAEMO CC(C)[N@@H+](C)[C@@H]1CCCCCC[C@@H]1N 22567064 571697434 /nfs/dbraw/zinc/69/74/34/571697434.db2.gz ANTKGZXNBCBUDV-NWDGAFQWSA-N 1 1 198.354 2.377 10 0 AEAEMO CC(C)N(C)[C@@H]1CCCCCC[C@@H]1[NH3+] 22567064 571697439 /nfs/dbraw/zinc/69/74/39/571697439.db2.gz ANTKGZXNBCBUDV-NWDGAFQWSA-N 1 1 198.354 2.377 10 0 AEAEMO CCCC[C@H](C)NC[C@@]1(C)CCC[NH2+]1 70619890 571697536 /nfs/dbraw/zinc/69/75/36/571697536.db2.gz DLHAPWIXRKLENW-NWDGAFQWSA-N 1 1 198.354 2.297 10 0 AEAEMO CCCC[C@@H](C)NC[C@]1(C)CCC[NH2+]1 70619887 571697636 /nfs/dbraw/zinc/69/76/36/571697636.db2.gz DLHAPWIXRKLENW-NEPJUHHUSA-N 1 1 198.354 2.297 10 0 AEAEMO CCC[N@@H+]1CC[C@@H](NC)[C@@]1(C)CCC 712102885 571697803 /nfs/dbraw/zinc/69/78/03/571697803.db2.gz GZPHGWADCIGKJE-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@H+]1CC[C@@H](NC)[C@@]1(C)CCC 712102885 571697806 /nfs/dbraw/zinc/69/78/06/571697806.db2.gz GZPHGWADCIGKJE-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H](C)C[NH2+]N1CCCCC1 213934172 571697926 /nfs/dbraw/zinc/69/79/26/571697926.db2.gz GNRGIMFMVUVRPG-NSHDSACASA-N 1 1 184.327 2.413 10 0 AEAEMO CC(C)C(=O)[C@H]1CCCCC[N@H+]1C 213989008 571698266 /nfs/dbraw/zinc/69/82/66/571698266.db2.gz MIVMUNWGDVDNMX-SNVBAGLBSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC[N@H+]1CCCC[C@@H]1C[C@H](C)CO 250035271 571698349 /nfs/dbraw/zinc/69/83/49/571698349.db2.gz SQQZGJSPNDWDCO-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)[N@@H+](C)[C@H]1CCCCCC[C@@H]1N 22567068 571698453 /nfs/dbraw/zinc/69/84/53/571698453.db2.gz ANTKGZXNBCBUDV-RYUDHWBXSA-N 1 1 198.354 2.377 10 0 AEAEMO CC(C)N(C)[C@H]1CCCCCC[C@@H]1[NH3+] 22567068 571698457 /nfs/dbraw/zinc/69/84/57/571698457.db2.gz ANTKGZXNBCBUDV-RYUDHWBXSA-N 1 1 198.354 2.377 10 0 AEAEMO CCC(CC)[N@@H+](C)C[C@H](C)OC 687798757 571698478 /nfs/dbraw/zinc/69/84/78/571698478.db2.gz DHLRPSLJIAWEIL-VIFPVBQESA-N 1 1 173.300 2.142 10 0 AEAEMO CCC[N@@H+]1CC[C@H](NC)[C@H]1C(C)(C)C 712105933 571698600 /nfs/dbraw/zinc/69/86/00/571698600.db2.gz QDAWFCGTXVBUPR-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@H+]1CC[C@H](NC)[C@H]1C(C)(C)C 712105933 571698604 /nfs/dbraw/zinc/69/86/04/571698604.db2.gz QDAWFCGTXVBUPR-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[C@@H](C)NC[C@@]1(C)CCC[NH2+]1 70619889 571698643 /nfs/dbraw/zinc/69/86/43/571698643.db2.gz DLHAPWIXRKLENW-VXGBXAGGSA-N 1 1 198.354 2.297 10 0 AEAEMO CC[C@H](C)C[C@H]1C(=O)CC[N@@H+]1C(C)C 712106388 571698849 /nfs/dbraw/zinc/69/88/49/571698849.db2.gz IWSXQLIYYKGMTJ-QWRGUYRKSA-N 1 1 197.322 2.474 10 0 AEAEMO CC[C@H](C)C[C@H]1C(=O)CC[N@H+]1C(C)C 712106388 571698852 /nfs/dbraw/zinc/69/88/52/571698852.db2.gz IWSXQLIYYKGMTJ-QWRGUYRKSA-N 1 1 197.322 2.474 10 0 AEAEMO CC(C)C[C@@H]([NH3+])c1nnc(C(C)C)o1 11586576 571699156 /nfs/dbraw/zinc/69/91/56/571699156.db2.gz LIMYKVCORAPJKQ-MRVPVSSYSA-N 1 1 197.282 2.239 10 0 AEAEMO CCCC[C@@]1(CC)[C@@H]([NH2+]C)CCN1C 712122497 571700197 /nfs/dbraw/zinc/70/01/97/571700197.db2.gz VSZSPANJLIYFSJ-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@H+]1CCC[C@H](C[C@H](C)CO)C1 250055811 571700940 /nfs/dbraw/zinc/70/09/40/571700940.db2.gz WUOVBSFNCHDWQB-NWDGAFQWSA-N 1 1 199.338 2.127 10 0 AEAEMO CCCC[C@]1(CC)[C@H]([NH2+]C)CCN1C 712122501 571702640 /nfs/dbraw/zinc/70/26/40/571702640.db2.gz VSZSPANJLIYFSJ-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](COC)Nc1[nH+]cccc1C 70626013 571704824 /nfs/dbraw/zinc/70/48/24/571704824.db2.gz KQGOKKKKENZLAT-SNVBAGLBSA-N 1 1 194.278 2.227 10 0 AEAEMO CCC[N@H+]1CCC[C@@H](C[C@H](C)CO)C1 250055819 571703158 /nfs/dbraw/zinc/70/31/58/571703158.db2.gz WUOVBSFNCHDWQB-RYUDHWBXSA-N 1 1 199.338 2.127 10 0 AEAEMO CCCC[C@]1(CC)[C@@H]([NH2+]C)CCN1C 712122491 571703278 /nfs/dbraw/zinc/70/32/78/571703278.db2.gz VSZSPANJLIYFSJ-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](COC)Nc1ccc(C)c[nH+]1 70626054 571703694 /nfs/dbraw/zinc/70/36/94/571703694.db2.gz XACPDWLPTWULLG-JTQLQIEISA-N 1 1 194.278 2.227 10 0 AEAEMO CCCC[C@@]1(CC)[C@H]([NH2+]C)CCN1C 712122488 571703872 /nfs/dbraw/zinc/70/38/72/571703872.db2.gz VSZSPANJLIYFSJ-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](COC)Nc1ccc(C)c[nH+]1 70626055 571704172 /nfs/dbraw/zinc/70/41/72/571704172.db2.gz XACPDWLPTWULLG-SNVBAGLBSA-N 1 1 194.278 2.227 10 0 AEAEMO CC[C@@H](COC)Nc1[nH+]cccc1C 70626012 571705314 /nfs/dbraw/zinc/70/53/14/571705314.db2.gz KQGOKKKKENZLAT-JTQLQIEISA-N 1 1 194.278 2.227 10 0 AEAEMO CC[C@H]1CCCCC[N@@H+]1[C@@H](C)CNC 108310489 571705989 /nfs/dbraw/zinc/70/59/89/571705989.db2.gz IAFJNHPJCVPYRX-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H]1CCCCC[N@H+]1[C@@H](C)CNC 108310489 571705991 /nfs/dbraw/zinc/70/59/91/571705991.db2.gz IAFJNHPJCVPYRX-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H]1CCCCC[N@@H+]1[C@@H](C)CNC 108310487 571708125 /nfs/dbraw/zinc/70/81/25/571708125.db2.gz IAFJNHPJCVPYRX-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H]1CCCCC[N@H+]1[C@@H](C)CNC 108310487 571708127 /nfs/dbraw/zinc/70/81/27/571708127.db2.gz IAFJNHPJCVPYRX-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H]1CCCCC[N@@H+]1C[C@@H](C)NC 108310449 571708296 /nfs/dbraw/zinc/70/82/96/571708296.db2.gz GYDQXZRBRVOFGQ-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H]1CCCCC[N@H+]1C[C@@H](C)NC 108310449 571708299 /nfs/dbraw/zinc/70/82/99/571708299.db2.gz GYDQXZRBRVOFGQ-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO C[NH+]1CC(c2ccc(O)cc2Cl)C1 214067872 571708324 /nfs/dbraw/zinc/70/83/24/571708324.db2.gz QRMFNZAWPFYJLD-UHFFFAOYSA-N 1 1 197.665 2.075 10 0 AEAEMO CCc1cc(Cl)cc(C(=O)C[NH3+])c1 214067486 571708655 /nfs/dbraw/zinc/70/86/55/571708655.db2.gz PNVSLEGAEJZQLO-UHFFFAOYSA-N 1 1 197.665 2.044 10 0 AEAEMO CC[C@@H]1CCCCC[N@@H+]1C[C@@H](C)NC 108310445 571709385 /nfs/dbraw/zinc/70/93/85/571709385.db2.gz GYDQXZRBRVOFGQ-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H]1CCCCC[N@H+]1C[C@@H](C)NC 108310445 571709391 /nfs/dbraw/zinc/70/93/91/571709391.db2.gz GYDQXZRBRVOFGQ-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO Cc1ccc(Cl)c(C(=O)C[NH3+])c1C 214067707 571709772 /nfs/dbraw/zinc/70/97/72/571709772.db2.gz ZXHSCPWCZBWFET-UHFFFAOYSA-N 1 1 197.665 2.098 10 0 AEAEMO CCc1ccc(Cl)cc1C(=O)C[NH3+] 214067785 571710230 /nfs/dbraw/zinc/71/02/30/571710230.db2.gz KZNGGWNZDJCFNA-UHFFFAOYSA-N 1 1 197.665 2.044 10 0 AEAEMO CS[C@@H]1CCC[C@H]1[NH2+]CC(F)F 235272132 571710372 /nfs/dbraw/zinc/71/03/72/571710372.db2.gz PBAZUWQOAZTHIV-RNFRBKRXSA-N 1 1 195.278 2.125 10 0 AEAEMO C[C@H]1CCCC[N@H+]1C[C@@H](N)C(C)(C)C 23067959 571710703 /nfs/dbraw/zinc/71/07/03/571710703.db2.gz LZURIEYMLUIEQF-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO C[N@@H+]1CCc2cc(O)c(Cl)cc2C1 214069713 571711036 /nfs/dbraw/zinc/71/10/36/571711036.db2.gz YIVINPPFHAYCCR-UHFFFAOYSA-N 1 1 197.665 2.034 10 0 AEAEMO C[N@H+]1CCc2cc(O)c(Cl)cc2C1 214069713 571711038 /nfs/dbraw/zinc/71/10/38/571711038.db2.gz YIVINPPFHAYCCR-UHFFFAOYSA-N 1 1 197.665 2.034 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1C[C@@H](N)C(C)(C)C 23067958 571712579 /nfs/dbraw/zinc/71/25/79/571712579.db2.gz LZURIEYMLUIEQF-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]1CCC[N@H+]1CC[C@@H](O)C(C)(C)C 227135034 571713172 /nfs/dbraw/zinc/71/31/72/571713172.db2.gz DOLFDSFXXYXPLH-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](C)C[C@@H](CC)N1CC[NH2+]CC1 38086603 571713312 /nfs/dbraw/zinc/71/33/12/571713312.db2.gz VYRVEHBUVTTXTH-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)CC[C@H](C)[N@H+]1CCCNCC1 38086802 571714263 /nfs/dbraw/zinc/71/42/63/571714263.db2.gz JIJHLRQCGGIUAA-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)CC[C@H](C)N1CCC[NH2+]CC1 38086802 571714264 /nfs/dbraw/zinc/71/42/64/571714264.db2.gz JIJHLRQCGGIUAA-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CS[C@H]1CCC[C@H]1[NH2+]CC(F)F 235259967 571714298 /nfs/dbraw/zinc/71/42/98/571714298.db2.gz PBAZUWQOAZTHIV-RQJHMYQMSA-N 1 1 195.278 2.125 10 0 AEAEMO CC(C)CC[C@@H](C)[N@H+]1CCCNCC1 38086801 571714362 /nfs/dbraw/zinc/71/43/62/571714362.db2.gz JIJHLRQCGGIUAA-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)CC[C@@H](C)N1CCC[NH2+]CC1 38086801 571714367 /nfs/dbraw/zinc/71/43/67/571714367.db2.gz JIJHLRQCGGIUAA-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC(CCC)[N@H+]1CCCNCC1 38086823 571714420 /nfs/dbraw/zinc/71/44/20/571714420.db2.gz PNOSWFDLGGVFSD-UHFFFAOYSA-N 1 1 198.354 2.251 10 0 AEAEMO C[N@@H+](C(C)(C)C)[C@@](C)(CN)C1CCC1 394222149 571716246 /nfs/dbraw/zinc/71/62/46/571716246.db2.gz ASZCKGMJJGZMIH-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CC[C@H]([NH2+]Cc2ccn[nH]2)C1 70643599 571717068 /nfs/dbraw/zinc/71/70/68/571717068.db2.gz CIAVDMIICFIVSL-ZJUUUORDSA-N 1 1 193.294 2.078 10 0 AEAEMO CC[C@H]1CC[C@H]([NH2+]CCCN(C)C)C1 70642798 571717328 /nfs/dbraw/zinc/71/73/28/571717328.db2.gz GAZAJVUSVROBHV-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H]1CC[C@@H]([NH2+]CCCN(C)C)C1 70642799 571717452 /nfs/dbraw/zinc/71/74/52/571717452.db2.gz GAZAJVUSVROBHV-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](C)[C@H](N)[C@@H]([NH3+])c1ccccc1 95841014 571717931 /nfs/dbraw/zinc/71/79/31/571717931.db2.gz MGBBDKRNTUBWOJ-USWWRNFRSA-N 1 1 192.306 2.060 10 0 AEAEMO CC[C@H]1CC[C@@H]([NH2+]Cc2ccn[nH]2)C1 70643602 571718130 /nfs/dbraw/zinc/71/81/30/571718130.db2.gz CIAVDMIICFIVSL-VHSXEESVSA-N 1 1 193.294 2.078 10 0 AEAEMO C[NH2+][C@@H](C)CC[N@H+]1[C@@H](C)CCC[C@H]1C 134167781 571718349 /nfs/dbraw/zinc/71/83/49/571718349.db2.gz MQTNBBASISDRDG-SDDRHHMPSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H]1CC[C@H]([NH2+]CCCN(C)C)C1 70642797 571718364 /nfs/dbraw/zinc/71/83/64/571718364.db2.gz GAZAJVUSVROBHV-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H]1CC[C@@H]([NH2+]Cc2ccn[nH]2)C1 70643601 571718382 /nfs/dbraw/zinc/71/83/82/571718382.db2.gz CIAVDMIICFIVSL-NXEZZACHSA-N 1 1 193.294 2.078 10 0 AEAEMO CCCCC[N@@H+](C)C1CCC(O)CC1 157275569 571718564 /nfs/dbraw/zinc/71/85/64/571718564.db2.gz ODKYYVSIXSTJNV-UHFFFAOYSA-N 1 1 199.338 2.412 10 0 AEAEMO CC[C@H]1CC[C@@H]([NH2+]CCCN(C)C)C1 70642800 571718994 /nfs/dbraw/zinc/71/89/94/571718994.db2.gz GAZAJVUSVROBHV-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](C)n1cc(C)[nH+]c1C 98183792 571719039 /nfs/dbraw/zinc/71/90/39/571719039.db2.gz KUMCJQHRGVJZRP-MRVPVSSYSA-N 1 1 152.241 2.471 10 0 AEAEMO CC[C@H]1CC[C@H]([NH2+]Cc2ccn[nH]2)C1 70643600 571719205 /nfs/dbraw/zinc/71/92/05/571719205.db2.gz CIAVDMIICFIVSL-UWVGGRQHSA-N 1 1 193.294 2.078 10 0 AEAEMO CC(C)(C)OC(=O)N1C=CC=[NH+]C=C1 116673384 571719374 /nfs/dbraw/zinc/71/93/74/571719374.db2.gz ZYCVYFKLUDDRDA-UHFFFAOYSA-N 1 1 194.234 2.293 10 0 AEAEMO C[C@@H]1CC(C)(C)C[C@@H]1[N@@H+](C)CCC[NH3+] 235280068 571719408 /nfs/dbraw/zinc/71/94/08/571719408.db2.gz XNJCJPNDEOADFZ-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@@H](C)C[N@@H+](CCN)C1CC1 301000570 571719871 /nfs/dbraw/zinc/71/98/71/571719871.db2.gz XBHHMKVBLFYYRU-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@@H](C)CN(CC[NH3+])C1CC1 301000570 571719872 /nfs/dbraw/zinc/71/98/72/571719872.db2.gz XBHHMKVBLFYYRU-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO C[NH2+]C(C)(C)C[C@H]1CCCCC[N@H+]1C 214125643 571719908 /nfs/dbraw/zinc/71/99/08/571719908.db2.gz XNKSMUUMAYUBNK-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO C[NH2+]C(C)(C)C[C@@H]1CCCCC[N@H+]1C 214125587 571720732 /nfs/dbraw/zinc/72/07/32/571720732.db2.gz XNKSMUUMAYUBNK-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H]1C[N@H+](C2CCCCC2)CCN1 23477003 571720858 /nfs/dbraw/zinc/72/08/58/571720858.db2.gz YULQXSKQJSYGDL-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@@H]1CN(C2CCCCC2)CC[NH2+]1 23477003 571720863 /nfs/dbraw/zinc/72/08/63/571720863.db2.gz YULQXSKQJSYGDL-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CCC[C@H](OC)[C@H]([NH2+]CC)C(F)F 393395512 571721905 /nfs/dbraw/zinc/72/19/05/571721905.db2.gz TZGGNIKUHWXWNY-YUMQZZPRSA-N 1 1 195.253 2.045 10 0 AEAEMO CC(C)C[C@H](C)C[N@@H+](CCN)C1CC1 301000571 571721956 /nfs/dbraw/zinc/72/19/56/571721956.db2.gz XBHHMKVBLFYYRU-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@H](C)CN(CC[NH3+])C1CC1 301000571 571721958 /nfs/dbraw/zinc/72/19/58/571721958.db2.gz XBHHMKVBLFYYRU-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO C[N@H+]1CCCCC[C@H]1C(=O)C1CCC1 214152242 571722142 /nfs/dbraw/zinc/72/21/42/571722142.db2.gz WYERNWUHVRHNKY-NSHDSACASA-N 1 1 195.306 2.230 10 0 AEAEMO CCC[C@@H](OC)[C@H]([NH2+]CC)C(F)F 393395510 571722221 /nfs/dbraw/zinc/72/22/21/571722221.db2.gz TZGGNIKUHWXWNY-SFYZADRCSA-N 1 1 195.253 2.045 10 0 AEAEMO C[N@H+]1CCCC[C@H](C(=O)C2CCC2)C1 214152052 571722319 /nfs/dbraw/zinc/72/23/19/571722319.db2.gz DIONVDIVFWRCLY-NSHDSACASA-N 1 1 195.306 2.088 10 0 AEAEMO C[N@H+]1CCC[C@H](C(=O)C2CCC2)CC1 214152599 571722434 /nfs/dbraw/zinc/72/24/34/571722434.db2.gz WZXJURGFJJCNSD-NSHDSACASA-N 1 1 195.306 2.088 10 0 AEAEMO CCC[C@H](OC)[C@@H]([NH2+]CC)C(F)F 393395507 571722439 /nfs/dbraw/zinc/72/24/39/571722439.db2.gz TZGGNIKUHWXWNY-JGVFFNPUSA-N 1 1 195.253 2.045 10 0 AEAEMO CC[C@H]1C[N@H+](C2CCCCC2)CCN1 23477004 571722477 /nfs/dbraw/zinc/72/24/77/571722477.db2.gz YULQXSKQJSYGDL-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H]1CN(C2CCCCC2)CC[NH2+]1 23477004 571722480 /nfs/dbraw/zinc/72/24/80/571722480.db2.gz YULQXSKQJSYGDL-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO C[N@H+]1CCC[C@@H](C(=O)C2CCC2)CC1 214152654 571722525 /nfs/dbraw/zinc/72/25/25/571722525.db2.gz WZXJURGFJJCNSD-LLVKDONJSA-N 1 1 195.306 2.088 10 0 AEAEMO C[N@H+]1CCCC[C@@H](C(=O)C2CCC2)C1 214152113 571722906 /nfs/dbraw/zinc/72/29/06/571722906.db2.gz DIONVDIVFWRCLY-LLVKDONJSA-N 1 1 195.306 2.088 10 0 AEAEMO C[N@H+]1CCC[C@H](C(=O)C2CCCC2)C1 214152739 571723117 /nfs/dbraw/zinc/72/31/17/571723117.db2.gz QYTNSWDUMYDSMU-NSHDSACASA-N 1 1 195.306 2.088 10 0 AEAEMO CCC[C@@H](OC)[C@@H]([NH2+]CC)C(F)F 393395495 571723303 /nfs/dbraw/zinc/72/33/03/571723303.db2.gz TZGGNIKUHWXWNY-HTQZYQBOSA-N 1 1 195.253 2.045 10 0 AEAEMO C[N@H+]1CCC[C@@H](C(=O)C2CCCC2)C1 214152789 571723606 /nfs/dbraw/zinc/72/36/06/571723606.db2.gz QYTNSWDUMYDSMU-LLVKDONJSA-N 1 1 195.306 2.088 10 0 AEAEMO C[N@H+]1CCCCC[C@@H]1C(=O)C1CCC1 214152189 571723727 /nfs/dbraw/zinc/72/37/27/571723727.db2.gz WYERNWUHVRHNKY-LLVKDONJSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@@H]1CCC[C@@H]([N@@H+](CC)CCN)C1 70652068 571725626 /nfs/dbraw/zinc/72/56/26/571725626.db2.gz LJOYMFHXKCVOES-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H]1CCC[C@@H]([N@@H+](CC)CCN)C1 70652069 571725753 /nfs/dbraw/zinc/72/57/53/571725753.db2.gz LJOYMFHXKCVOES-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H]1CCC[C@H]([N@@H+](CC)CCN)C1 70652066 571725875 /nfs/dbraw/zinc/72/58/75/571725875.db2.gz LJOYMFHXKCVOES-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H]1CCC[C@H]([N@@H+](CC)CCN)C1 70652067 571726149 /nfs/dbraw/zinc/72/61/49/571726149.db2.gz LJOYMFHXKCVOES-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC(CC)[N@@H+](C)C[C@@H](C)OC 687798756 571730995 /nfs/dbraw/zinc/73/09/95/571730995.db2.gz DHLRPSLJIAWEIL-SECBINFHSA-N 1 1 173.300 2.142 10 0 AEAEMO CCC[N@H+]1C[C@H](C)NCC1(CC)CC 84859547 571731529 /nfs/dbraw/zinc/73/15/29/571731529.db2.gz SBBMHYVRCDJNGV-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@H+]1C[C@@H](C)NCC1(CC)CC 84859549 571731547 /nfs/dbraw/zinc/73/15/47/571731547.db2.gz SBBMHYVRCDJNGV-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO C[N@H+]1CCCC[C@H]1[C@H](O)C1CCCC1 214201658 571732535 /nfs/dbraw/zinc/73/25/35/571732535.db2.gz PUBGOVUAUVQXKW-NWDGAFQWSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@H+]1CCCC[C@@H]1[C@H](O)C1CCCC1 214201597 571732643 /nfs/dbraw/zinc/73/26/43/571732643.db2.gz PUBGOVUAUVQXKW-VXGBXAGGSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@H+]1CCC[C@H]1[C@H](O)C1CCCCC1 214202092 571733019 /nfs/dbraw/zinc/73/30/19/571733019.db2.gz NOWMMRCXMXXUIR-NWDGAFQWSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@H+]1CCC[C@@H]1[C@H](O)C1CCCCC1 214202036 571733476 /nfs/dbraw/zinc/73/34/76/571733476.db2.gz NOWMMRCXMXXUIR-VXGBXAGGSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@H+]1CCCCC[C@H]1[C@H](O)C1CCC1 214201364 571733806 /nfs/dbraw/zinc/73/38/06/571733806.db2.gz RJWHAPSQBHFMAX-NWDGAFQWSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@H+]1CCCCC[C@@H]1[C@H](O)C1CCC1 214201307 571734398 /nfs/dbraw/zinc/73/43/98/571734398.db2.gz RJWHAPSQBHFMAX-VXGBXAGGSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H](C)[NH2+]C[C@]1(N)CCC[C@H](C)C1 70905859 571737984 /nfs/dbraw/zinc/73/79/84/571737984.db2.gz IABTTZWNISIFER-SRVKXCTJSA-N 1 1 198.354 2.282 10 0 AEAEMO CCCC[NH2+]C[C@]1(N)CCC[C@@H](C)C1 70905999 571738796 /nfs/dbraw/zinc/73/87/96/571738796.db2.gz DMHONRBOVQXDIA-NEPJUHHUSA-N 1 1 198.354 2.284 10 0 AEAEMO CCCC[NH2+]C[C@@]1(N)CCC[C@@H](C)C1 70906004 571737823 /nfs/dbraw/zinc/73/78/23/571737823.db2.gz DMHONRBOVQXDIA-VXGBXAGGSA-N 1 1 198.354 2.284 10 0 AEAEMO CCN(CC)C[C@@]1([NH3+])CCC[C@H](C)C1 70905080 571738693 /nfs/dbraw/zinc/73/86/93/571738693.db2.gz MIJIZLFDMYTCBX-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[NH2+]C[C@]1(N)CCC[C@H](C)C1 70905988 571738273 /nfs/dbraw/zinc/73/82/73/571738273.db2.gz DMHONRBOVQXDIA-RYUDHWBXSA-N 1 1 198.354 2.284 10 0 AEAEMO CC[C@H](C)[NH2+]C[C@@]1(N)CCC[C@H](C)C1 70905872 571738813 /nfs/dbraw/zinc/73/88/13/571738813.db2.gz IABTTZWNISIFER-SDDRHHMPSA-N 1 1 198.354 2.282 10 0 AEAEMO CC(C)C[NH2+]C[C@]1(N)CCC[C@@H](C)C1 70905899 571739163 /nfs/dbraw/zinc/73/91/63/571739163.db2.gz BCJJSJLZICNYQJ-NEPJUHHUSA-N 1 1 198.354 2.140 10 0 AEAEMO CC(C)C[NH2+]C[C@@]1(N)CCC[C@@H](C)C1 70905892 571739298 /nfs/dbraw/zinc/73/92/98/571739298.db2.gz BCJJSJLZICNYQJ-VXGBXAGGSA-N 1 1 198.354 2.140 10 0 AEAEMO CCN(CC)C[C@@]1([NH3+])CCC[C@@H](C)C1 70905091 571739463 /nfs/dbraw/zinc/73/94/63/571739463.db2.gz MIJIZLFDMYTCBX-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)=C([NH3+])[Si](C)(C)C 196066945 571739548 /nfs/dbraw/zinc/73/95/48/571739548.db2.gz WBODFGAMHCYFCD-UHFFFAOYSA-N 1 1 143.306 2.116 10 0 AEAEMO CC(C)C[NH2+]C[C@]1(N)CCC[C@H](C)C1 70905906 571739734 /nfs/dbraw/zinc/73/97/34/571739734.db2.gz BCJJSJLZICNYQJ-RYUDHWBXSA-N 1 1 198.354 2.140 10 0 AEAEMO CCCN(C)C[C@@]1([NH3+])CCC[C@H](C)C1 70905451 571739922 /nfs/dbraw/zinc/73/99/22/571739922.db2.gz UDHCYKAKQJRLTJ-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[NH2+]C[C@@]1(N)CCC[C@H](C)C1 70905996 571739946 /nfs/dbraw/zinc/73/99/46/571739946.db2.gz DMHONRBOVQXDIA-NWDGAFQWSA-N 1 1 198.354 2.284 10 0 AEAEMO CCN(CC)C[C@]1([NH3+])CCC[C@@H](C)C1 70905089 571740003 /nfs/dbraw/zinc/74/00/03/571740003.db2.gz MIJIZLFDMYTCBX-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCN(C)C[C@]1([NH3+])CCC[C@H](C)C1 70905448 571740227 /nfs/dbraw/zinc/74/02/27/571740227.db2.gz UDHCYKAKQJRLTJ-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCN(CC)C[C@]1([NH3+])CCC[C@H](C)C1 70905076 571740399 /nfs/dbraw/zinc/74/03/99/571740399.db2.gz MIJIZLFDMYTCBX-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@@H](CCCO)[C@H]1CCCCC[N@H+]1C 214298294 571745040 /nfs/dbraw/zinc/74/50/40/571745040.db2.gz ZFUVVNBOTOMMJH-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)[C@@H](CCCO)[C@@H]1CCC[N@H+]1C 214298929 571745863 /nfs/dbraw/zinc/74/58/63/571745863.db2.gz XIZVJIOJNFWSDH-NEPJUHHUSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)[C@@H](CO)[C@H]1CCCCC[N@H+]1C 214297777 571744280 /nfs/dbraw/zinc/74/42/80/571744280.db2.gz ATNPCGRQYOTJPJ-VXGBXAGGSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)[C@@H](CCCO)[C@H]1CCC[N@H+]1C 214299027 571744325 /nfs/dbraw/zinc/74/43/25/571744325.db2.gz XIZVJIOJNFWSDH-VXGBXAGGSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)[C@H](CCO)[C@H]1CCCC[N@H+]1C 214298600 571744370 /nfs/dbraw/zinc/74/43/70/571744370.db2.gz ADKNZRXQZGVRRV-NWDGAFQWSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)[C@H](CCCO)[C@@H]1CCC[N@H+]1C 214298979 571744396 /nfs/dbraw/zinc/74/43/96/571744396.db2.gz XIZVJIOJNFWSDH-RYUDHWBXSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@@H](O)C[N@@H+](CC1CC1)C1CC1 70736923 571744421 /nfs/dbraw/zinc/74/44/21/571744421.db2.gz UMARHTCRRWHMMG-GFCCVEGCSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H](CCCO)[C@H]1CCC[N@@H+](C)C1 214300581 571744445 /nfs/dbraw/zinc/74/44/45/571744445.db2.gz GLRSYSNTECMXNN-RYUDHWBXSA-N 1 1 199.338 2.127 10 0 AEAEMO CC(C)[C@H](CO)[C@@H]1CCCCC[N@H+]1C 214297718 571744503 /nfs/dbraw/zinc/74/45/03/571744503.db2.gz ATNPCGRQYOTJPJ-RYUDHWBXSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](CCCO)[C@H]1CCC[N@@H+](C)C1 214300636 571744620 /nfs/dbraw/zinc/74/46/20/571744620.db2.gz GLRSYSNTECMXNN-NEPJUHHUSA-N 1 1 199.338 2.127 10 0 AEAEMO CC(C)[C@@H](CO)[C@@H]1CCCCC[N@H+]1C 214297658 571744661 /nfs/dbraw/zinc/74/46/61/571744661.db2.gz ATNPCGRQYOTJPJ-NEPJUHHUSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H](CCCO)[C@@H]1CCCCC[N@H+]1C 214298240 571744713 /nfs/dbraw/zinc/74/47/13/571744713.db2.gz ZFUVVNBOTOMMJH-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)[C@@H](CCO)[C@@H]1CCCC[N@H+]1C 214298433 571744717 /nfs/dbraw/zinc/74/47/17/571744717.db2.gz ADKNZRXQZGVRRV-NEPJUHHUSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@@H+](CC1CC1)C1CC1 70736944 571744727 /nfs/dbraw/zinc/74/47/27/571744727.db2.gz LKPYWWOSKQRXCS-CABZTGNLSA-N 1 1 197.322 2.020 10 0 AEAEMO CC[C@@H](CCCO)[C@@H]1CCC[N@@H+](C)C1 214300437 571744823 /nfs/dbraw/zinc/74/48/23/571744823.db2.gz GLRSYSNTECMXNN-NWDGAFQWSA-N 1 1 199.338 2.127 10 0 AEAEMO CC[C@@H](CCO)[C@@H]1CCC[N@@H+](C)CC1 214299420 571744877 /nfs/dbraw/zinc/74/48/77/571744877.db2.gz XFGZIBQFUZNAPN-NWDGAFQWSA-N 1 1 199.338 2.127 10 0 AEAEMO CCC[C@H](O)C[N@@H+](CC1CC1)C1CC1 70736920 571744878 /nfs/dbraw/zinc/74/48/78/571744878.db2.gz UMARHTCRRWHMMG-LBPRGKRZSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H](CCCO)[C@@H]1CCC[N@@H+](C)CC1 214299650 571744930 /nfs/dbraw/zinc/74/49/30/571744930.db2.gz OGNFYPQYFYSFJX-NWDGAFQWSA-N 1 1 199.338 2.127 10 0 AEAEMO C[C@H](CCCO)[C@@H]1CCC[N@@H+](C)CC1 214299709 571744966 /nfs/dbraw/zinc/74/49/66/571744966.db2.gz OGNFYPQYFYSFJX-VXGBXAGGSA-N 1 1 199.338 2.127 10 0 AEAEMO C[C@H](CCCO)[C@H]1CCC[N@@H+](C)CC1 214299813 571744971 /nfs/dbraw/zinc/74/49/71/571744971.db2.gz OGNFYPQYFYSFJX-NEPJUHHUSA-N 1 1 199.338 2.127 10 0 AEAEMO C[C@@H](CCCO)[C@@H]1CCCCC[N@H+]1C 214298184 571745153 /nfs/dbraw/zinc/74/51/53/571745153.db2.gz ZFUVVNBOTOMMJH-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@H](O)[C@H](C)[N@@H+](CC1CC1)C1CC1 70736945 571745173 /nfs/dbraw/zinc/74/51/73/571745173.db2.gz LKPYWWOSKQRXCS-JOYOIKCWSA-N 1 1 197.322 2.020 10 0 AEAEMO CC[C@@H](CCO)[C@H]1CCC[N@@H+](C)CC1 214299524 571745191 /nfs/dbraw/zinc/74/51/91/571745191.db2.gz XFGZIBQFUZNAPN-RYUDHWBXSA-N 1 1 199.338 2.127 10 0 AEAEMO CCCC(=O)C[N@@H+](CC1CC1)C1CC1 70736719 571745293 /nfs/dbraw/zinc/74/52/93/571745293.db2.gz ZMGSBXXHSZFOGX-UHFFFAOYSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)Cc1c[nH+]cn1CC1CC1 13580726 571745308 /nfs/dbraw/zinc/74/53/08/571745308.db2.gz KGUCLLVDDSQJTC-UHFFFAOYSA-N 1 1 178.279 2.492 10 0 AEAEMO CC[C@@H](CCCO)[C@@H]1CCCC[N@H+]1C 214298690 571745441 /nfs/dbraw/zinc/74/54/41/571745441.db2.gz IYMZYWCVSDAYIN-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)[C@H](CCCO)[C@H]1CCC[N@H+]1C 214299087 571745516 /nfs/dbraw/zinc/74/55/16/571745516.db2.gz XIZVJIOJNFWSDH-NWDGAFQWSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H](CCO)[C@@H]1CCCCC[N@H+]1C 214297916 571745644 /nfs/dbraw/zinc/74/56/44/571745644.db2.gz NMJNAFSGKZMTEC-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)[C@@H](CCO)[C@H]1CCCC[N@H+]1C 214298547 571745891 /nfs/dbraw/zinc/74/58/91/571745891.db2.gz ADKNZRXQZGVRRV-VXGBXAGGSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](CCO)[C@H]1CCCCC[N@H+]1C 214298096 571745971 /nfs/dbraw/zinc/74/59/71/571745971.db2.gz NMJNAFSGKZMTEC-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H](CCO)[C@@H]1CCCCC[N@H+]1C 214297981 571746027 /nfs/dbraw/zinc/74/60/27/571746027.db2.gz NMJNAFSGKZMTEC-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO C[C@@H](O)CCC[N@@H+](CC1CC1)C1CC1 70736918 571746159 /nfs/dbraw/zinc/74/61/59/571746159.db2.gz PJFOAAXNYXFWQF-SNVBAGLBSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H](O)[C@@H](C)[N@@H+](CC1CC1)C1CC1 70736941 571746228 /nfs/dbraw/zinc/74/62/28/571746228.db2.gz LKPYWWOSKQRXCS-BXKDBHETSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@@H](CCCO)[C@H]1CCC[N@@H+](C)CC1 214299759 571746261 /nfs/dbraw/zinc/74/62/61/571746261.db2.gz OGNFYPQYFYSFJX-RYUDHWBXSA-N 1 1 199.338 2.127 10 0 AEAEMO C[C@H](O)CCC[N@@H+](CC1CC1)C1CC1 70736914 571746275 /nfs/dbraw/zinc/74/62/75/571746275.db2.gz PJFOAAXNYXFWQF-JTQLQIEISA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H](CCO)[C@@H]1CCC[N@@H+](C)CC1 214299472 571746368 /nfs/dbraw/zinc/74/63/68/571746368.db2.gz XFGZIBQFUZNAPN-VXGBXAGGSA-N 1 1 199.338 2.127 10 0 AEAEMO CC[C@H](O)[C@@H](C)[N@@H+](CC1CC1)C1CC1 70736940 571746423 /nfs/dbraw/zinc/74/64/23/571746423.db2.gz LKPYWWOSKQRXCS-SKDRFNHKSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@H](CCCO)[C@H]1CCCCC[N@H+]1C 214298348 571746474 /nfs/dbraw/zinc/74/64/74/571746474.db2.gz ZFUVVNBOTOMMJH-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H](CCCO)[C@@H]1CCCC[N@H+]1C 214298745 571746507 /nfs/dbraw/zinc/74/65/07/571746507.db2.gz IYMZYWCVSDAYIN-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)[C@H](CO)[C@H]1CCCCC[N@H+]1C 214297837 571746692 /nfs/dbraw/zinc/74/66/92/571746692.db2.gz ATNPCGRQYOTJPJ-NWDGAFQWSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H](CCCO)[C@H]1CCCC[N@H+]1C 214298802 571746698 /nfs/dbraw/zinc/74/66/98/571746698.db2.gz IYMZYWCVSDAYIN-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H](CCO)[C@H]1CCC[N@@H+](C)CC1 214299574 571746763 /nfs/dbraw/zinc/74/67/63/571746763.db2.gz XFGZIBQFUZNAPN-NEPJUHHUSA-N 1 1 199.338 2.127 10 0 AEAEMO CC[C@H](CCCO)[C@@H]1CCC[N@@H+](C)C1 214300497 571746808 /nfs/dbraw/zinc/74/68/08/571746808.db2.gz GLRSYSNTECMXNN-VXGBXAGGSA-N 1 1 199.338 2.127 10 0 AEAEMO CC[C@@H](CCO)[C@H]1CCCCC[N@H+]1C 214298043 571746826 /nfs/dbraw/zinc/74/68/26/571746826.db2.gz NMJNAFSGKZMTEC-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO C[NH2+][C@@H](Cc1ccsc1)C(F)F 234420604 571747875 /nfs/dbraw/zinc/74/78/75/571747875.db2.gz FBPDHVAWMAMQBQ-ZETCQYMHSA-N 1 1 191.246 2.144 10 0 AEAEMO C[C@@H]1C=C[C@H]2CCC[N@H+]2[C@@H]1C 205058862 571750597 /nfs/dbraw/zinc/75/05/97/571750597.db2.gz PVOBNHWHKLUQMY-OPRDCNLKSA-N 1 1 151.253 2.045 10 0 AEAEMO CCCCCC[N@H+]1CC[C@@H]1COC 393425778 571750734 /nfs/dbraw/zinc/75/07/34/571750734.db2.gz MBLPWNKXLHYGCF-LLVKDONJSA-N 1 1 185.311 2.287 10 0 AEAEMO CCCCCC[N@H+]1CC[C@H]1COC 393425781 571751515 /nfs/dbraw/zinc/75/15/15/571751515.db2.gz MBLPWNKXLHYGCF-NSHDSACASA-N 1 1 185.311 2.287 10 0 AEAEMO CC[C@H]1CC[C@@](CN)([N@@H+](C)C(C)C)C1 70763345 571752128 /nfs/dbraw/zinc/75/21/28/571752128.db2.gz IEDXRAMFEGKVKT-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](C(C)C)[C@@]1(CN)CC[C@H](C)C1 70763397 571752213 /nfs/dbraw/zinc/75/22/13/571752213.db2.gz VSMQRRBGPQRQOX-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@]1(CN)CC[C@H](C)C1 70763435 571752307 /nfs/dbraw/zinc/75/23/07/571752307.db2.gz ZICILZBQXBCEBT-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[N@@H+](C)[C@]1(CN)CC[C@H](C)C1 70763427 571752334 /nfs/dbraw/zinc/75/23/34/571752334.db2.gz XAFSWSPCGSSZMP-NWDGAFQWSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[N@@H+](CC)[C@]1(CN)CC[C@H](C)C1 70763410 571752538 /nfs/dbraw/zinc/75/25/38/571752538.db2.gz FAVPNXUQAXUCKQ-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H]1CC[C@](CN)([N@@H+](C)C(C)C)C1 70763347 571752618 /nfs/dbraw/zinc/75/26/18/571752618.db2.gz IEDXRAMFEGKVKT-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[N@@H+](C)[C@@]1(CN)CC[C@H](C)C1 70763429 571752809 /nfs/dbraw/zinc/75/28/09/571752809.db2.gz XAFSWSPCGSSZMP-RYUDHWBXSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H]1CC[C@@](CN)([N@@H+](C)C(C)C)C1 70763344 571752826 /nfs/dbraw/zinc/75/28/26/571752826.db2.gz IEDXRAMFEGKVKT-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CC[C@](CN)([N@@H+](C)C(C)C)C1 70763346 571752840 /nfs/dbraw/zinc/75/28/40/571752840.db2.gz IEDXRAMFEGKVKT-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[N@@H+](C)[C@@]1(CN)CC[C@H](C)C1 70763371 571752968 /nfs/dbraw/zinc/75/29/68/571752968.db2.gz QMXCWZNDYYJPAQ-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[N@@H+](CC)[C@@]1(CN)CC[C@H](C)C1 70763411 571753046 /nfs/dbraw/zinc/75/30/46/571753046.db2.gz FAVPNXUQAXUCKQ-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)C[N@@H+](C)[C@]1(CN)CC[C@@H](C)C1 70763426 571753362 /nfs/dbraw/zinc/75/33/62/571753362.db2.gz XAFSWSPCGSSZMP-VXGBXAGGSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[N@@H+](C)[C@@]1(CN)CC[C@@H](C)C1 70763428 571753525 /nfs/dbraw/zinc/75/35/25/571753525.db2.gz XAFSWSPCGSSZMP-NEPJUHHUSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[N@@H+](C)[C@]1(CN)CC[C@H](C)C1 70763370 571753677 /nfs/dbraw/zinc/75/36/77/571753677.db2.gz QMXCWZNDYYJPAQ-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO C[N@@H+](CCC1CC1)Cc1ccc[nH]1 687799030 571753830 /nfs/dbraw/zinc/75/38/30/571753830.db2.gz MPFZACLSIQBXCH-UHFFFAOYSA-N 1 1 178.279 2.247 10 0 AEAEMO CCC[N@@H+](C)[C@@]1(CN)CC[C@H](CC)C1 70763421 571753905 /nfs/dbraw/zinc/75/39/05/571753905.db2.gz JTLJAJOVQMBRQN-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[N@@H+](C)[C@]1(CN)CC[C@H](CC)C1 70763420 571754013 /nfs/dbraw/zinc/75/40/13/571754013.db2.gz JTLJAJOVQMBRQN-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[N@@H+](C(C)C)[C@]1(CN)CC[C@H](C)C1 70763396 571754220 /nfs/dbraw/zinc/75/42/20/571754220.db2.gz VSMQRRBGPQRQOX-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[NH2+][C@@H](CNC(C)(C)C)C(C)C 70797047 571755703 /nfs/dbraw/zinc/75/57/03/571755703.db2.gz SYGPERRFKWBAHA-JTQLQIEISA-N 1 1 186.343 2.009 10 0 AEAEMO CCN[C@@H](C[NH2+]C(C)(C)C)C(C)C 70797047 571755707 /nfs/dbraw/zinc/75/57/07/571755707.db2.gz SYGPERRFKWBAHA-JTQLQIEISA-N 1 1 186.343 2.009 10 0 AEAEMO CC[NH2+][C@H](CNC(C)(C)C)C(C)C 70797049 571755881 /nfs/dbraw/zinc/75/58/81/571755881.db2.gz SYGPERRFKWBAHA-SNVBAGLBSA-N 1 1 186.343 2.009 10 0 AEAEMO CCN[C@H](C[NH2+]C(C)(C)C)C(C)C 70797049 571755886 /nfs/dbraw/zinc/75/58/86/571755886.db2.gz SYGPERRFKWBAHA-SNVBAGLBSA-N 1 1 186.343 2.009 10 0 AEAEMO C[C@@H](F)CC[N@H+]1CCC[C@@H]1CF 393429261 571756783 /nfs/dbraw/zinc/75/67/83/571756783.db2.gz PDNOBBPBRVABGH-RKDXNWHRSA-N 1 1 177.238 2.168 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)c1ccc(N)c(N)c1 233863218 571756828 /nfs/dbraw/zinc/75/68/28/571756828.db2.gz PPBOODLZROIBIT-MRVPVSSYSA-N 1 1 193.294 2.086 10 0 AEAEMO C/C=C\C[N@H+]1CCOC(C)(C)[C@@H]1C 379356950 571756852 /nfs/dbraw/zinc/75/68/52/571756852.db2.gz PVUJXGZQQLBPNF-OMMCCPJFSA-N 1 1 183.295 2.062 10 0 AEAEMO CCC[C@@H](O)C[C@H]1CCCC[N@H+]1C 15266846 571757394 /nfs/dbraw/zinc/75/73/94/571757394.db2.gz CMJSEOAWCOUDRM-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[C@H](O)C[C@H]1CCCC[N@H+]1C 15266848 571758407 /nfs/dbraw/zinc/75/84/07/571758407.db2.gz CMJSEOAWCOUDRM-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO C[C@H](F)CC[N@H+]1CCC[C@@H]1CF 393429259 571758896 /nfs/dbraw/zinc/75/88/96/571758896.db2.gz PDNOBBPBRVABGH-DTWKUNHWSA-N 1 1 177.238 2.168 10 0 AEAEMO C/C=C\C[N@H+]1CCOC(C)(C)[C@H]1C 379356951 571759002 /nfs/dbraw/zinc/75/90/02/571759002.db2.gz PVUJXGZQQLBPNF-WWQCOOJYSA-N 1 1 183.295 2.062 10 0 AEAEMO C[NH2+]CC(F)(F)CC(C)(C)C 17402273 571761028 /nfs/dbraw/zinc/76/10/28/571761028.db2.gz JOCDTQGDLPFBOZ-UHFFFAOYSA-N 1 1 165.227 2.277 10 0 AEAEMO C[C@@H]1C[C@@H]1C[N@@H+](C)CCCCCCO 235308735 571761138 /nfs/dbraw/zinc/76/11/38/571761138.db2.gz ISILIVGJNGUEMV-VXGBXAGGSA-N 1 1 199.338 2.127 10 0 AEAEMO C[C@H]1CCC[C@@H]1[N@H+]1CCC(=O)C[C@@H]1C 70832053 571763142 /nfs/dbraw/zinc/76/31/42/571763142.db2.gz YUESDBYIDVQDTR-NHCYSSNCSA-N 1 1 195.306 2.228 10 0 AEAEMO C[N@H+]1CCC[C@@H]1COc1ccccc1 26382968 571763160 /nfs/dbraw/zinc/76/31/60/571763160.db2.gz GXHUWYAGVDTPAX-LLVKDONJSA-N 1 1 191.274 2.160 10 0 AEAEMO C[C@H]1CCC[C@H]1[N@H+]1CCC(=O)C[C@@H]1C 70832061 571763757 /nfs/dbraw/zinc/76/37/57/571763757.db2.gz YUESDBYIDVQDTR-JBLDHEPKSA-N 1 1 195.306 2.228 10 0 AEAEMO CC1CCN([C@@H](C[NH3+])C(C)(C)C)CC1 26510950 571767043 /nfs/dbraw/zinc/76/70/43/571767043.db2.gz BTNLZWZTBDFDGD-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO C[N@H+]1CCC[C@H]1COc1ccccc1 26379930 571765201 /nfs/dbraw/zinc/76/52/01/571765201.db2.gz GXHUWYAGVDTPAX-NSHDSACASA-N 1 1 191.274 2.160 10 0 AEAEMO CCC[C@H](C)[N@H+]1C[C@H](C)N[C@H](C)[C@@H]1C 404310711 571767077 /nfs/dbraw/zinc/76/70/77/571767077.db2.gz KQTNRXCQWNJCPS-YFKTTZPYSA-N 1 1 198.354 2.246 10 0 AEAEMO C[N@@H+](CCn1cccc1)C1CCCC1 70946455 571767160 /nfs/dbraw/zinc/76/71/60/571767160.db2.gz BLCUAXAZKOGSDY-UHFFFAOYSA-N 1 1 192.306 2.363 10 0 AEAEMO C1C[C@H]2C[C@@H](C1)[N@@H+](C1CC1)C2 18402021 571768342 /nfs/dbraw/zinc/76/83/42/571768342.db2.gz XJDYJSJAUXITKJ-WCBMZHEXSA-N 1 1 151.253 2.023 10 0 AEAEMO C[C@@H]1CCCN[C@@H]1C[NH2+]CC(C)(C)C 235324262 571768987 /nfs/dbraw/zinc/76/89/87/571768987.db2.gz HPKZAAWEBYZBIL-GHMZBOCLSA-N 1 1 198.354 2.010 10 0 AEAEMO CCC(CC)Nc1[nH+]cccc1N 26516025 571770201 /nfs/dbraw/zinc/77/02/01/571770201.db2.gz WLWHISGHZMOPMP-UHFFFAOYSA-N 1 1 179.267 2.264 10 0 AEAEMO C/C=C\Cn1c[nH+]c2c1CCCC2 379300287 571771288 /nfs/dbraw/zinc/77/12/88/571771288.db2.gz KSWHQKGCNMJRBA-IHWYPQMZSA-N 1 1 176.263 2.338 10 0 AEAEMO CC1CCN([C@H](C[NH3+])C(C)(C)C)CC1 26510953 571771292 /nfs/dbraw/zinc/77/12/92/571771292.db2.gz BTNLZWZTBDFDGD-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1C[C@@H](C)C[N@H+]([C@@H]2CCCC2=O)C1 37331859 571771829 /nfs/dbraw/zinc/77/18/29/571771829.db2.gz SSSFZOGTFNNYGX-OUAUKWLOSA-N 1 1 195.306 2.086 10 0 AEAEMO CCC[N@@H+](CCN)[C@H]1CCC[C@H](C)C1 71147622 571772050 /nfs/dbraw/zinc/77/20/50/571772050.db2.gz FVUXWNHJZFZFBZ-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[N@@H+](CCN)[C@@H]1CCC[C@H](C)C1 71147620 571772191 /nfs/dbraw/zinc/77/21/91/571772191.db2.gz FVUXWNHJZFZFBZ-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)[C@@H]1CCCC1=O 37338996 571772428 /nfs/dbraw/zinc/77/24/28/571772428.db2.gz BOXBYGGNPSCCKL-VHSXEESVSA-N 1 1 183.295 2.084 10 0 AEAEMO CCC[N@@H+](C)Cc1c(N)cccc1F 70961601 571772504 /nfs/dbraw/zinc/77/25/04/571772504.db2.gz HOLFZVGNQWTVMY-UHFFFAOYSA-N 1 1 196.269 2.250 10 0 AEAEMO CC(=O)[C@@H](C)[N@H+]1[C@@H](C)CCC[C@H]1C 687799524 571772511 /nfs/dbraw/zinc/77/25/11/571772511.db2.gz JUHBDLXLZRUOKL-KXUCPTDWSA-N 1 1 183.295 2.227 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@H]1CCCCC1=O 37335935 571773222 /nfs/dbraw/zinc/77/32/22/571773222.db2.gz CIVPKIRZFIWKKM-VHSXEESVSA-N 1 1 183.295 2.228 10 0 AEAEMO CC[C@H]1CCC[N@H+]([C@@H]2CCCC2=O)C1 37339514 571773553 /nfs/dbraw/zinc/77/35/53/571773553.db2.gz GJQJOSQSAAQUDJ-WDEREUQCSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)[C@@H]1CCCC1=O 37338995 571773623 /nfs/dbraw/zinc/77/36/23/571773623.db2.gz BOXBYGGNPSCCKL-NXEZZACHSA-N 1 1 183.295 2.084 10 0 AEAEMO CC[C@@H]1CCC[N@H+]([C@@H]2CCCC2=O)C1 37339513 571774227 /nfs/dbraw/zinc/77/42/27/571774227.db2.gz GJQJOSQSAAQUDJ-GHMZBOCLSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@H](C)[N@@H+](C)CCCc1cnoc1 687721541 571774486 /nfs/dbraw/zinc/77/44/86/571774486.db2.gz GLPHNNDWGHXCBY-JTQLQIEISA-N 1 1 196.294 2.338 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)[C@@H]1CCCCC1=O 37335933 571774630 /nfs/dbraw/zinc/77/46/30/571774630.db2.gz CIVPKIRZFIWKKM-NXEZZACHSA-N 1 1 183.295 2.228 10 0 AEAEMO CC(=O)[C@H](C)[N@H+]1[C@@H](C)CCC[C@H]1C 687799523 571774641 /nfs/dbraw/zinc/77/46/41/571774641.db2.gz JUHBDLXLZRUOKL-AEJSXWLSSA-N 1 1 183.295 2.227 10 0 AEAEMO CC[N@@H+](CCCc1cnoc1)C1CC1 687721545 571774712 /nfs/dbraw/zinc/77/47/12/571774712.db2.gz HLEIULXLZMNZJB-UHFFFAOYSA-N 1 1 194.278 2.092 10 0 AEAEMO C[N@H+]1CC[C@@H](CF)[C@H]1c1cccnc1 27106420 571775900 /nfs/dbraw/zinc/77/59/00/571775900.db2.gz PLOSIAMCLIOVAZ-ONGXEEELSA-N 1 1 194.253 2.044 10 0 AEAEMO C[C@H]1CCC[C@@H](C)[N@H+]1[C@@H]1CCC(=O)C1 687721635 571776202 /nfs/dbraw/zinc/77/62/02/571776202.db2.gz UBWIBWOFNPVWPC-OUAUKWLOSA-N 1 1 195.306 2.371 10 0 AEAEMO C[C@H]1CCC[C@@H](C)[N@H+]1[C@H]1CCC(=O)C1 687721634 571776316 /nfs/dbraw/zinc/77/63/16/571776316.db2.gz UBWIBWOFNPVWPC-AXFHLTTASA-N 1 1 195.306 2.371 10 0 AEAEMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](C)C1 27107943 571776897 /nfs/dbraw/zinc/77/68/97/571776897.db2.gz FFVWMSOTNFVMFW-ONGXEEELSA-N 1 1 176.263 2.094 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)CCCc1cnoc1 687721542 571777687 /nfs/dbraw/zinc/77/76/87/571777687.db2.gz GLPHNNDWGHXCBY-SNVBAGLBSA-N 1 1 196.294 2.338 10 0 AEAEMO Cc1[nH]c2c(C)ccc(C)c2[nH+]1 1598153 571777959 /nfs/dbraw/zinc/77/79/59/571777959.db2.gz OMFZAUHFMJDLKI-UHFFFAOYSA-N 1 1 160.220 2.488 10 0 AEAEMO CC(C)[N@H+]1[C@@H](C)CSC[C@H]1C 687721919 571778391 /nfs/dbraw/zinc/77/83/91/571778391.db2.gz ZSCLCLWLADAKID-DTORHVGOSA-N 1 1 173.325 2.221 10 0 AEAEMO CCCC[C@H](C)[C@H](O)Cc1[nH]cc[nH+]1 301008352 571778690 /nfs/dbraw/zinc/77/86/90/571778690.db2.gz ZJHMSNFATKWIPS-VHSXEESVSA-N 1 1 196.294 2.139 10 0 AEAEMO CCCC[C@@H](C)[C@H](O)Cc1[nH]cc[nH+]1 301008350 571778976 /nfs/dbraw/zinc/77/89/76/571778976.db2.gz ZJHMSNFATKWIPS-NXEZZACHSA-N 1 1 196.294 2.139 10 0 AEAEMO CC[C@@H]([NH3+])c1nc2ccc(F)cc2[nH]1 37439077 571779564 /nfs/dbraw/zinc/77/95/64/571779564.db2.gz ZDOLQMBANCZKSK-SSDOTTSWSA-N 1 1 193.225 2.112 10 0 AEAEMO CCCC[C@@H](C)[C@@H](O)Cc1[nH]cc[nH+]1 301008353 571779598 /nfs/dbraw/zinc/77/95/98/571779598.db2.gz ZJHMSNFATKWIPS-ZJUUUORDSA-N 1 1 196.294 2.139 10 0 AEAEMO CC[N@@H+](Cc1[nH]cnc1C)C(C)(C)C 687722012 571779664 /nfs/dbraw/zinc/77/96/64/571779664.db2.gz WHEILNDHVKLGRS-UHFFFAOYSA-N 1 1 195.310 2.339 10 0 AEAEMO CC[C@H]([NH3+])c1nc2ccc(F)cc2[nH]1 37439075 571780053 /nfs/dbraw/zinc/78/00/53/571780053.db2.gz ZDOLQMBANCZKSK-ZETCQYMHSA-N 1 1 193.225 2.112 10 0 AEAEMO CC[N@@H+](CC1(O)CCC1)C(C)(C)C 687722031 571780980 /nfs/dbraw/zinc/78/09/80/571780980.db2.gz FYDTWXHIKBCCOG-UHFFFAOYSA-N 1 1 185.311 2.022 10 0 AEAEMO C[N@H+]1CCC[C@@H]1c1ccccc1 1693777 571781945 /nfs/dbraw/zinc/78/19/45/571781945.db2.gz RUJFIXHHAWJMRM-LLVKDONJSA-N 1 1 161.248 2.453 10 0 AEAEMO CCCC[N@@H+](C)C[C@@H]([NH3+])[C@@H](C)CC 39141122 571782097 /nfs/dbraw/zinc/78/20/97/571782097.db2.gz WYKHQXPKPNFSML-WDEREUQCSA-N 1 1 186.343 2.092 10 0 AEAEMO CCCCN(C)C[C@@H]([NH3+])[C@@H](C)CC 39141122 571782101 /nfs/dbraw/zinc/78/21/01/571782101.db2.gz WYKHQXPKPNFSML-WDEREUQCSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCC[C@@H](C)[C@H]1CN 251396001 571782140 /nfs/dbraw/zinc/78/21/40/571782140.db2.gz YXVIXFHKJHKZSF-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCC[C@H](C)[C@H]1CN 251396003 571782182 /nfs/dbraw/zinc/78/21/82/571782182.db2.gz YXVIXFHKJHKZSF-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCN(CCC)C[C@@H]([NH3+])C(C)C 39141048 571782516 /nfs/dbraw/zinc/78/25/16/571782516.db2.gz YSRTUEJMLRUYGW-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@H]2O)C1 37503398 571782710 /nfs/dbraw/zinc/78/27/10/571782710.db2.gz DFNVFMPARLJXIS-UTUOFQBUSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1CCC[N@H+]([C@@H]2CCCC[C@@H]2O)C1 37490618 571783392 /nfs/dbraw/zinc/78/33/92/571783392.db2.gz RRBVJSAFPPPLJA-UTUOFQBUSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@@H+](C1CCCC1)[C@H]1CCCC[C@@H]1O 37491160 571782751 /nfs/dbraw/zinc/78/27/51/571782751.db2.gz GAQXYQXVEJAVBC-RYUDHWBXSA-N 1 1 197.322 2.164 10 0 AEAEMO C[C@H](C1CC1)[N@@H+](C)[C@@H]1CCCC[C@@H]1O 37492093 571782781 /nfs/dbraw/zinc/78/27/81/571782781.db2.gz SIAMZLJDBASTPW-JLLWLGSASA-N 1 1 197.322 2.020 10 0 AEAEMO CCC(CC)[N@@H+](CC)C(C)(C)CN 687800940 571782846 /nfs/dbraw/zinc/78/28/46/571782846.db2.gz QHDRRLYRHZOZMS-UHFFFAOYSA-N 1 1 186.343 2.234 10 0 AEAEMO C[N@H+](C1CCCCC1)[C@@H]1CCC[C@@H]1O 37489631 571782854 /nfs/dbraw/zinc/78/28/54/571782854.db2.gz VZLKXYNQGHVBAK-NEPJUHHUSA-N 1 1 197.322 2.164 10 0 AEAEMO C[N@@H+](C1CCCC1)[C@@H]1CCCC[C@@H]1O 37491159 571782865 /nfs/dbraw/zinc/78/28/65/571782865.db2.gz GAQXYQXVEJAVBC-NEPJUHHUSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[C@@H](C)[C@H]([NH3+])CN1CCC(C)CC1 39140980 571783722 /nfs/dbraw/zinc/78/37/22/571783722.db2.gz FQLHSGJZTVESJB-VXGBXAGGSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](C)[C@H](N)C[NH+]1CCC(C)CC1 39140980 571783727 /nfs/dbraw/zinc/78/37/27/571783727.db2.gz FQLHSGJZTVESJB-VXGBXAGGSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1[C@@H]1CCC[C@@H]1O 37489621 571783756 /nfs/dbraw/zinc/78/37/56/571783756.db2.gz FGPNJVRJAHOETH-UTUOFQBUSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[C@H](C)[C@H]([NH3+])CN1CCC(C)CC1 39140983 571784949 /nfs/dbraw/zinc/78/49/49/571784949.db2.gz FQLHSGJZTVESJB-NWDGAFQWSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)[C@H](N)C[NH+]1CCC(C)CC1 39140983 571784951 /nfs/dbraw/zinc/78/49/51/571784951.db2.gz FQLHSGJZTVESJB-NWDGAFQWSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H](CCC(C)(C)C)N1CC[NH2+]CC1 19725876 571786543 /nfs/dbraw/zinc/78/65/43/571786543.db2.gz SYIMTALHDFYTKR-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO C[C@@H](CCC(C)(C)C)N1CC[NH2+]CC1 19725875 571787331 /nfs/dbraw/zinc/78/73/31/571787331.db2.gz SYIMTALHDFYTKR-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO C[C@H]1CCC[C@@H](C)[N@H+]1[C@@H]1CCOC1 687801411 571787920 /nfs/dbraw/zinc/78/79/20/571787920.db2.gz TWKFAIOLNAPRQQ-OUAUKWLOSA-N 1 1 183.295 2.038 10 0 AEAEMO C[C@H]1CCC[C@@H](C)[N@H+]1[C@H]1CCOC1 687801410 571787978 /nfs/dbraw/zinc/78/79/78/571787978.db2.gz TWKFAIOLNAPRQQ-AXFHLTTASA-N 1 1 183.295 2.038 10 0 AEAEMO CNC[C@@H](C)[NH2+]CC1(C)CCCCC1 234362156 571788758 /nfs/dbraw/zinc/78/87/58/571788758.db2.gz NCNVBJULMGPVBM-LLVKDONJSA-N 1 1 198.354 2.154 10 0 AEAEMO CC[N@@H+](C[C@H](O)C1CCCC1)C1CC1 158402367 571790660 /nfs/dbraw/zinc/79/06/60/571790660.db2.gz MEHVFFIQVNTLBF-LBPRGKRZSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@H]1CCCOC1 687801106 571790323 /nfs/dbraw/zinc/79/03/23/571790323.db2.gz UVBHPMDAZOVHCF-LLVKDONJSA-N 1 1 185.311 2.286 10 0 AEAEMO CCOCCC[N@H+]1[C@H](C)CC1(C)C 687801224 571790483 /nfs/dbraw/zinc/79/04/83/571790483.db2.gz NBBPBXOFVNEOBO-SNVBAGLBSA-N 1 1 185.311 2.286 10 0 AEAEMO CCCCC[N@H+]1C[C@H](CC)NC[C@H]1C 249791640 571792013 /nfs/dbraw/zinc/79/20/13/571792013.db2.gz JWISPBJTEZVBOO-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCCN1C[C@H](CC)[NH2+]C[C@H]1C 249791640 571792014 /nfs/dbraw/zinc/79/20/14/571792014.db2.gz JWISPBJTEZVBOO-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(C)(C)[N@@H+](C)CC1(O)CCC1 687801142 571792040 /nfs/dbraw/zinc/79/20/40/571792040.db2.gz YAWDONSHDTVKRK-UHFFFAOYSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC(CC)[N@@H+](C)C[C@@H]1CCCO1 687801238 571792059 /nfs/dbraw/zinc/79/20/59/571792059.db2.gz VXKASMLLQDQCQJ-NSHDSACASA-N 1 1 185.311 2.286 10 0 AEAEMO CC(C)[N@@H+](CC1CC1)[C@H]1CCC[C@H]1O 250499399 571792077 /nfs/dbraw/zinc/79/20/77/571792077.db2.gz KKHOSFLAEFACQR-NWDGAFQWSA-N 1 1 197.322 2.020 10 0 AEAEMO CCCC[N@@H+](C)[C@@H]1CCCCC[C@H]1N 249810235 571792112 /nfs/dbraw/zinc/79/21/12/571792112.db2.gz PUTOBJTUHURUIP-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCN(C)[C@@H]1CCCCC[C@H]1[NH3+] 249810235 571792116 /nfs/dbraw/zinc/79/21/16/571792116.db2.gz PUTOBJTUHURUIP-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[N@H+]1C[C@@H](C(C)C)NC[C@H]1C 249904115 571792168 /nfs/dbraw/zinc/79/21/68/571792168.db2.gz XQFNIMYEAHVQJT-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCCN1C[C@@H](C(C)C)[NH2+]C[C@H]1C 249904115 571792169 /nfs/dbraw/zinc/79/21/69/571792169.db2.gz XQFNIMYEAHVQJT-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCOCCC[N@H+]1[C@@H](C)CC1(C)C 687801223 571792337 /nfs/dbraw/zinc/79/23/37/571792337.db2.gz NBBPBXOFVNEOBO-JTQLQIEISA-N 1 1 185.311 2.286 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@H]1CCCOC1 687801107 571792425 /nfs/dbraw/zinc/79/24/25/571792425.db2.gz UVBHPMDAZOVHCF-NSHDSACASA-N 1 1 185.311 2.286 10 0 AEAEMO CCCC[N@@H+](C)[C@@H]1CCCCC[C@H]1O 249815516 571792479 /nfs/dbraw/zinc/79/24/79/571792479.db2.gz RPXWHEMQNFFXQG-VXGBXAGGSA-N 1 1 199.338 2.412 10 0 AEAEMO COC[C@H](C)[N@@H+](CC(C)C)C1CC1 687801122 571792584 /nfs/dbraw/zinc/79/25/84/571792584.db2.gz YXRWAKDOFBRCHQ-JTQLQIEISA-N 1 1 185.311 2.142 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@@H]1CCCC[C@H]1N 249943372 571792650 /nfs/dbraw/zinc/79/26/50/571792650.db2.gz IJAWZQFELXQIOV-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+](C)[C@@H]1C[C@H](CC)CC[C@H]1O 249738695 571792705 /nfs/dbraw/zinc/79/27/05/571792705.db2.gz DALBOSDZUYPOAC-IJLUTSLNSA-N 1 1 199.338 2.268 10 0 AEAEMO COC[C@@H](C)[N@@H+](CC(C)C)C1CC1 687801123 571792740 /nfs/dbraw/zinc/79/27/40/571792740.db2.gz YXRWAKDOFBRCHQ-SNVBAGLBSA-N 1 1 185.311 2.142 10 0 AEAEMO CCCCC[N@H+]1C[C@@H](CC)NC[C@H]1C 249791642 571792742 /nfs/dbraw/zinc/79/27/42/571792742.db2.gz JWISPBJTEZVBOO-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCCN1C[C@@H](CC)[NH2+]C[C@H]1C 249791642 571792745 /nfs/dbraw/zinc/79/27/45/571792745.db2.gz JWISPBJTEZVBOO-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@H+]1CCNC[C@H]1[C@H](C)CC 249883409 571792842 /nfs/dbraw/zinc/79/28/42/571792842.db2.gz OQQQXDSYBISBST-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[N@@H+](C1CCCC1)[C@@H](C)[C@H](C)NC 249892711 571793640 /nfs/dbraw/zinc/79/36/40/571793640.db2.gz DTAIBZSWDVNREU-QWRGUYRKSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[N@H+](C1CCCC1)[C@@H](C)[C@H](C)NC 249892711 571793641 /nfs/dbraw/zinc/79/36/41/571793641.db2.gz DTAIBZSWDVNREU-QWRGUYRKSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[N@H+]1C[C@@H](CC)NC[C@H]1C(C)C 249961506 571793206 /nfs/dbraw/zinc/79/32/06/571793206.db2.gz JRQNWXRNTXORFD-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@H+](C1CCCC1)[C@@H](C)[C@H](C)O 249920745 571793276 /nfs/dbraw/zinc/79/32/76/571793276.db2.gz LBMPPVOBIFZSLU-UWVGGRQHSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[N@@H+](CC(C)C)C[C@@H]1CCC[C@H]1O 249812876 571793349 /nfs/dbraw/zinc/79/33/49/571793349.db2.gz HRKCWPHJPBHUOC-NWDGAFQWSA-N 1 1 199.338 2.125 10 0 AEAEMO CCCC[N@@H+](CC)C[C@@H]1CCC[C@H]1O 249784177 571793308 /nfs/dbraw/zinc/79/33/08/571793308.db2.gz GUVVMICKHUCKGX-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CCCC[N@@H+](CC)C[C@H]1CCC[C@H]1O 249784178 571793439 /nfs/dbraw/zinc/79/34/39/571793439.db2.gz GUVVMICKHUCKGX-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CCCC[N@H+](CC)[C@H]1CCC[C@H]1NC 249787435 571793450 /nfs/dbraw/zinc/79/34/50/571793450.db2.gz ILAISOLOPNHXHO-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@@H+](CC)[C@H]1CCC[C@H]1NC 249787435 571793452 /nfs/dbraw/zinc/79/34/52/571793452.db2.gz ILAISOLOPNHXHO-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@H+](C1CC1)[C@H](C)[C@H](C)O 249819675 571796761 /nfs/dbraw/zinc/79/67/61/571796761.db2.gz TXFQHQATYNWAPQ-ZJUUUORDSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[N@H+](C1CC1)[C@@H]([C@H](C)N)C(C)(C)C 249896030 571796765 /nfs/dbraw/zinc/79/67/65/571796765.db2.gz FLMRINHNSKHEFO-ONGXEEELSA-N 1 1 198.354 2.233 10 0 AEAEMO CCC[N@H+]1C[C@H](CC)NC[C@H]1C(C)C 249961511 571793628 /nfs/dbraw/zinc/79/36/28/571793628.db2.gz JRQNWXRNTXORFD-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@H+](C1CCCCC1)[C@H](C)[C@H](C)O 249885172 571793707 /nfs/dbraw/zinc/79/37/07/571793707.db2.gz BWJGZGAGUSLIMY-MNOVXSKESA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[N@@H+](CC)[C@H]1CCCCC[C@H]1O 249954347 571793740 /nfs/dbraw/zinc/79/37/40/571793740.db2.gz ITXPJMCUBVFFPN-NWDGAFQWSA-N 1 1 199.338 2.412 10 0 AEAEMO CCN(C1CC1)[C@@H]([C@H](C)[NH3+])C(C)(C)C 249896030 571796768 /nfs/dbraw/zinc/79/67/68/571796768.db2.gz FLMRINHNSKHEFO-ONGXEEELSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[N@H+](C(C)C)[C@@H]1CCCC[C@H]1NC 249890207 571793922 /nfs/dbraw/zinc/79/39/22/571793922.db2.gz DGNQPMPZYSNEIL-VXGBXAGGSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[N@@H+](C(C)C)[C@@H]1CCCC[C@H]1NC 249890207 571793927 /nfs/dbraw/zinc/79/39/27/571793927.db2.gz DGNQPMPZYSNEIL-VXGBXAGGSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@H]1CCCC[C@@H]1O 37693909 571796776 /nfs/dbraw/zinc/79/67/76/571796776.db2.gz DKTDGEGILKXWDD-AXFHLTTASA-N 1 1 185.311 2.020 10 0 AEAEMO CC[N@H+](CC(C)C)[C@@H]1CCC[C@H]1NC 249919561 571794163 /nfs/dbraw/zinc/79/41/63/571794163.db2.gz AGWIODAJZAXFRR-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@@H]1CCC[C@H]1NC 249919561 571794165 /nfs/dbraw/zinc/79/41/65/571794165.db2.gz AGWIODAJZAXFRR-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@H](O)C[N@H+]1CCC[C@H]2CCCC[C@@H]21 37694181 571794240 /nfs/dbraw/zinc/79/42/40/571794240.db2.gz BOBRHCBSFMXXSJ-TUAOUCFPSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCC[N@@H+](C)[C@@H]1C[C@@H](C)CC[C@H]1N 249912419 571794272 /nfs/dbraw/zinc/79/42/72/571794272.db2.gz ZEJQIXFOZSGYGD-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCN(C)[C@@H]1C[C@@H](C)CC[C@H]1[NH3+] 249912419 571794274 /nfs/dbraw/zinc/79/42/74/571794274.db2.gz ZEJQIXFOZSGYGD-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@H+](C1CC1)[C@H]([C@H](C)N)C(C)(C)C 249896027 571794309 /nfs/dbraw/zinc/79/43/09/571794309.db2.gz FLMRINHNSKHEFO-GXSJLCMTSA-N 1 1 198.354 2.233 10 0 AEAEMO CCN(C1CC1)[C@H]([C@H](C)[NH3+])C(C)(C)C 249896027 571794313 /nfs/dbraw/zinc/79/43/13/571794313.db2.gz FLMRINHNSKHEFO-GXSJLCMTSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[N@@H+](CC(C)C)C[C@H]1CCC[C@H]1O 249812878 571794367 /nfs/dbraw/zinc/79/43/67/571794367.db2.gz HRKCWPHJPBHUOC-VXGBXAGGSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[N@@H+](C[C@H]1CCCC[C@H]1O)C1CC1 249832582 571794197 /nfs/dbraw/zinc/79/41/97/571794197.db2.gz PPFWGNQQODFDPN-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[N@@H+](C1CCCC1)[C@H](C)[C@H](C)NC 249892713 571794587 /nfs/dbraw/zinc/79/45/87/571794587.db2.gz DTAIBZSWDVNREU-WDEREUQCSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[N@H+](C1CCCC1)[C@H](C)[C@H](C)NC 249892713 571794590 /nfs/dbraw/zinc/79/45/90/571794590.db2.gz DTAIBZSWDVNREU-WDEREUQCSA-N 1 1 198.354 2.247 10 0 AEAEMO CCCC[N@H+]1C[C@@H](C)NC[C@H]1C(C)C 249848114 571794615 /nfs/dbraw/zinc/79/46/15/571794615.db2.gz HUXBTANDNUELKE-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[N@@H+](CC)[C@H]1CCCC[C@H]1N 249803971 571794667 /nfs/dbraw/zinc/79/46/67/571794667.db2.gz NYGUHSREIUEWGY-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[N@@H+](C)[C@@]1(CN)CCCC[C@H]1C 249736529 571794815 /nfs/dbraw/zinc/79/48/15/571794815.db2.gz BRLSVYPPEGYHRF-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[N@@H+](C[C@H]1CCC[C@H]1O)C(C)C 249871290 571795039 /nfs/dbraw/zinc/79/50/39/571795039.db2.gz CREFXLORPQCXBG-VXGBXAGGSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCC[N@@H+](C1CC1)[C@H]1CCC[C@H]1N 249797473 571795101 /nfs/dbraw/zinc/79/51/01/571795101.db2.gz MBTAMHDVSQBOPN-NEPJUHHUSA-N 1 1 196.338 2.131 10 0 AEAEMO CCCCN(C1CC1)[C@H]1CCC[C@H]1[NH3+] 249797473 571795104 /nfs/dbraw/zinc/79/51/04/571795104.db2.gz MBTAMHDVSQBOPN-NEPJUHHUSA-N 1 1 196.338 2.131 10 0 AEAEMO CCCC[N@H+](C1CC1)[C@@H](C)[C@H](C)O 249819671 571795193 /nfs/dbraw/zinc/79/51/93/571795193.db2.gz TXFQHQATYNWAPQ-UWVGGRQHSA-N 1 1 185.311 2.020 10 0 AEAEMO CCCC[N@@H+](C1CC1)[C@@H]1CCC[C@H]1N 249797482 571795259 /nfs/dbraw/zinc/79/52/59/571795259.db2.gz MBTAMHDVSQBOPN-VXGBXAGGSA-N 1 1 196.338 2.131 10 0 AEAEMO CCCCN(C1CC1)[C@@H]1CCC[C@H]1[NH3+] 249797482 571795261 /nfs/dbraw/zinc/79/52/61/571795261.db2.gz MBTAMHDVSQBOPN-VXGBXAGGSA-N 1 1 196.338 2.131 10 0 AEAEMO CC[N@H+](C)[C@H](c1ccccc1)[C@H](C)N 249890330 571795278 /nfs/dbraw/zinc/79/52/78/571795278.db2.gz DHRZWOVMFJGDBK-JQWIXIFHSA-N 1 1 192.306 2.027 10 0 AEAEMO CC[N@@H+](C)[C@H](c1ccccc1)[C@H](C)N 249890330 571795282 /nfs/dbraw/zinc/79/52/82/571795282.db2.gz DHRZWOVMFJGDBK-JQWIXIFHSA-N 1 1 192.306 2.027 10 0 AEAEMO CCCC[N@@H+](CC)[C@@H]1CCCC[C@H]1N 249803974 571795291 /nfs/dbraw/zinc/79/52/91/571795291.db2.gz NYGUHSREIUEWGY-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[N@H+](C1CCCCC1)[C@@H](C)[C@H](C)N 249898242 571795313 /nfs/dbraw/zinc/79/53/13/571795313.db2.gz FTWMZPQWWZNTDV-QWRGUYRKSA-N 1 1 198.354 2.377 10 0 AEAEMO CC[N@H+](C1CCCCC1)[C@@H](C)[C@H](C)O 249885176 571795386 /nfs/dbraw/zinc/79/53/86/571795386.db2.gz BWJGZGAGUSLIMY-QWRGUYRKSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[N@H+](CC1CC1)[C@H](C)[C@H](C)NC 249972305 571795396 /nfs/dbraw/zinc/79/53/96/571795396.db2.gz KYWVQKYLIYQTMO-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@@H+](CC1CC1)[C@H](C)[C@H](C)NC 249972305 571795401 /nfs/dbraw/zinc/79/54/01/571795401.db2.gz KYWVQKYLIYQTMO-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@H]1CCCC[C@H]1N 249943369 571795413 /nfs/dbraw/zinc/79/54/13/571795413.db2.gz IJAWZQFELXQIOV-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+](CC)[C@@H]1CCCCC[C@H]1O 249954352 571795486 /nfs/dbraw/zinc/79/54/86/571795486.db2.gz ITXPJMCUBVFFPN-VXGBXAGGSA-N 1 1 199.338 2.412 10 0 AEAEMO CC[N@H+](C1CCCC1)[C@H](C)[C@H](C)O 249920750 571795620 /nfs/dbraw/zinc/79/56/20/571795620.db2.gz LBMPPVOBIFZSLU-ZJUUUORDSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[N@@H+](C[C@@H]1CCCC[C@H]1O)C(C)C 249794505 571795651 /nfs/dbraw/zinc/79/56/51/571795651.db2.gz ADADFRCVYKSIBS-NWDGAFQWSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[N@H+](CC1CC1)[C@@H](C)[C@H](C)NC 249972300 571795727 /nfs/dbraw/zinc/79/57/27/571795727.db2.gz KYWVQKYLIYQTMO-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@@H+](CC1CC1)[C@@H](C)[C@H](C)NC 249972300 571795732 /nfs/dbraw/zinc/79/57/32/571795732.db2.gz KYWVQKYLIYQTMO-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO C[N@@H+](CC(C)(C)O)C1CCCCCC1 37694174 571795863 /nfs/dbraw/zinc/79/58/63/571795863.db2.gz JUNJLJOIWJGGMN-UHFFFAOYSA-N 1 1 199.338 2.412 10 0 AEAEMO CCCC[N@H+]1C[C@H](C(C)C)NC[C@H]1C 249904119 571795966 /nfs/dbraw/zinc/79/59/66/571795966.db2.gz XQFNIMYEAHVQJT-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCCN1C[C@H](C(C)C)[NH2+]C[C@H]1C 249904119 571795969 /nfs/dbraw/zinc/79/59/69/571795969.db2.gz XQFNIMYEAHVQJT-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[N@@H+](C)[C@@H]1C[C@H](C)CC[C@H]1O 249780883 571796225 /nfs/dbraw/zinc/79/62/25/571796225.db2.gz FQFDYFSUQZTFRH-IJLUTSLNSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)[C@@H]1CCCC[C@@H]1O 37694060 571796289 /nfs/dbraw/zinc/79/62/89/571796289.db2.gz TYNQRSDSTDEQIU-TUAOUCFPSA-N 1 1 199.338 2.266 10 0 AEAEMO CCC[N@H+]1C[C@H](C(C)C)NC[C@H]1CC 249972315 571796356 /nfs/dbraw/zinc/79/63/56/571796356.db2.gz KZBDJOHVCSPKOS-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCN1C[C@H](C(C)C)[NH2+]C[C@H]1CC 249972315 571796358 /nfs/dbraw/zinc/79/63/58/571796358.db2.gz KZBDJOHVCSPKOS-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@H+]1C[C@@H](C(C)C)NC[C@H]1CC 249972310 571796367 /nfs/dbraw/zinc/79/63/67/571796367.db2.gz KZBDJOHVCSPKOS-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCN1C[C@@H](C(C)C)[NH2+]C[C@H]1CC 249972310 571796369 /nfs/dbraw/zinc/79/63/69/571796369.db2.gz KZBDJOHVCSPKOS-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@H+](C1CCCCC1)[C@H](C)[C@H](C)N 249898247 571796404 /nfs/dbraw/zinc/79/64/04/571796404.db2.gz FTWMZPQWWZNTDV-WDEREUQCSA-N 1 1 198.354 2.377 10 0 AEAEMO CCCC[N@@H+]([C@@H](C)CC)[C@H](C)CN 249809068 571796438 /nfs/dbraw/zinc/79/64/38/571796438.db2.gz PKPPDMMITBYLOB-WDEREUQCSA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[N@H+](CC)[C@@H]1CCC[C@H]1NC 249787437 571796474 /nfs/dbraw/zinc/79/64/74/571796474.db2.gz ILAISOLOPNHXHO-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@@H+](CC)[C@@H]1CCC[C@H]1NC 249787437 571796476 /nfs/dbraw/zinc/79/64/76/571796476.db2.gz ILAISOLOPNHXHO-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@H+]1C[C@H](C)NC[C@H]1C(C)C 249848120 571796563 /nfs/dbraw/zinc/79/65/63/571796563.db2.gz HUXBTANDNUELKE-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCCC[N@H+]1C[C@H](C)NCC[C@H]1C 249771730 571796574 /nfs/dbraw/zinc/79/65/74/571796574.db2.gz BGADQAJURYVAKM-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCCN1C[C@H](C)[NH2+]CC[C@H]1C 249771730 571796579 /nfs/dbraw/zinc/79/65/79/571796579.db2.gz BGADQAJURYVAKM-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@@H+](C[C@H]1CCC[C@H]1O)C1CC1 249885098 571796601 /nfs/dbraw/zinc/79/66/01/571796601.db2.gz GKZNNGWWTUQHJY-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[N@@H+](C)[C@@H]1C[C@@H](CC)CC[C@H]1O 249738699 571796689 /nfs/dbraw/zinc/79/66/89/571796689.db2.gz DALBOSDZUYPOAC-QJPTWQEYSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCC[N@@H+](C)[C@@H]1C[C@@H](C)CC[C@H]1O 249780886 571796751 /nfs/dbraw/zinc/79/67/51/571796751.db2.gz FQFDYFSUQZTFRH-QJPTWQEYSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@H+](C)[C@@H](c1ccccc1)[C@H](C)N 249890326 571796784 /nfs/dbraw/zinc/79/67/84/571796784.db2.gz DHRZWOVMFJGDBK-CMPLNLGQSA-N 1 1 192.306 2.027 10 0 AEAEMO CC[N@@H+](C)[C@@H](c1ccccc1)[C@H](C)N 249890326 571796787 /nfs/dbraw/zinc/79/67/87/571796787.db2.gz DHRZWOVMFJGDBK-CMPLNLGQSA-N 1 1 192.306 2.027 10 0 AEAEMO CC[N@@H+](C[C@@H]1CCCC[C@H]1O)C1CC1 249832580 571796806 /nfs/dbraw/zinc/79/68/06/571796806.db2.gz PPFWGNQQODFDPN-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCC[N@@H+](C)[C@H]1CCCCC[C@H]1O 249815514 571796844 /nfs/dbraw/zinc/79/68/44/571796844.db2.gz RPXWHEMQNFFXQG-NWDGAFQWSA-N 1 1 199.338 2.412 10 0 AEAEMO CCCC[N@@H+](C)[C@@H]1C[C@H](C)CC[C@H]1N 249912416 571796919 /nfs/dbraw/zinc/79/69/19/571796919.db2.gz ZEJQIXFOZSGYGD-IJLUTSLNSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCN(C)[C@@H]1C[C@H](C)CC[C@H]1[NH3+] 249912416 571796925 /nfs/dbraw/zinc/79/69/25/571796925.db2.gz ZEJQIXFOZSGYGD-IJLUTSLNSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](C[C@H]1CCCC[C@H]1O)C(C)C 249794507 571797029 /nfs/dbraw/zinc/79/70/29/571797029.db2.gz ADADFRCVYKSIBS-VXGBXAGGSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[N@@H+](C[C@@H]1CCC[C@H]1O)C(C)C 249871285 571797177 /nfs/dbraw/zinc/79/71/77/571797177.db2.gz CREFXLORPQCXBG-NWDGAFQWSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCC[N@H+]1CCNC[C@@H]1[C@H](C)CC 249883413 571797304 /nfs/dbraw/zinc/79/73/04/571797304.db2.gz OQQQXDSYBISBST-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[N@@H+](CC)[C@H]1CCCC[C@H]1O 249804084 571797366 /nfs/dbraw/zinc/79/73/66/571797366.db2.gz OBUOKWCQQKPQGB-NWDGAFQWSA-N 1 1 199.338 2.412 10 0 AEAEMO CC(C)CCC[N@@H+](C)CCF 143292005 571797388 /nfs/dbraw/zinc/79/73/88/571797388.db2.gz UOEFNQDEIWTHIY-UHFFFAOYSA-N 1 1 161.264 2.324 10 0 AEAEMO CCCCC[N@H+]1C[C@@H](C)NCC[C@H]1C 249771732 571797451 /nfs/dbraw/zinc/79/74/51/571797451.db2.gz BGADQAJURYVAKM-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCCN1C[C@@H](C)[NH2+]CC[C@H]1C 249771732 571797453 /nfs/dbraw/zinc/79/74/53/571797453.db2.gz BGADQAJURYVAKM-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H]1C[N@H+](CC=C(C)C)[C@@H](C)CN1 234192168 571797516 /nfs/dbraw/zinc/79/75/16/571797516.db2.gz ZCTAKEGGAXDYQQ-RYUDHWBXSA-N 1 1 196.338 2.025 10 0 AEAEMO CC[C@H]1C[N@@H+](CC=C(C)C)[C@@H](C)CN1 234192168 571797519 /nfs/dbraw/zinc/79/75/19/571797519.db2.gz ZCTAKEGGAXDYQQ-RYUDHWBXSA-N 1 1 196.338 2.025 10 0 AEAEMO CC(C)[N@@H+](C)[C@H]([C@H](C)N)C(C)(C)C 250517072 571797905 /nfs/dbraw/zinc/79/79/05/571797905.db2.gz QYYGWXUFZWQXIE-VHSXEESVSA-N 1 1 186.343 2.089 10 0 AEAEMO CC(C)N(C)[C@H]([C@H](C)[NH3+])C(C)(C)C 250517072 571797907 /nfs/dbraw/zinc/79/79/07/571797907.db2.gz QYYGWXUFZWQXIE-VHSXEESVSA-N 1 1 186.343 2.089 10 0 AEAEMO C[C@@H](CN)[N@H+](C)[C@H](C)c1ccccc1 251106249 571797966 /nfs/dbraw/zinc/79/79/66/571797966.db2.gz ODVWPWDBHDRDKO-WDEREUQCSA-N 1 1 192.306 2.027 10 0 AEAEMO C[C@@H](CN)[N@@H+](C)[C@H](C)c1ccccc1 251106249 571797970 /nfs/dbraw/zinc/79/79/70/571797970.db2.gz ODVWPWDBHDRDKO-WDEREUQCSA-N 1 1 192.306 2.027 10 0 AEAEMO C[C@@H]1CC(C)(C)[N@H+]1CCC(C)(C)O 687801676 571798010 /nfs/dbraw/zinc/79/80/10/571798010.db2.gz DPFYUDYAKPGIAN-SECBINFHSA-N 1 1 185.311 2.020 10 0 AEAEMO CC(C)CC[N@@H+](C)[C@H]1CCCC[C@H]1O 250593388 571798262 /nfs/dbraw/zinc/79/82/62/571798262.db2.gz MHNKESBRSHEAFR-NWDGAFQWSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](N)C[N@@H+](C)[C@H]1CCCC[C@@H]1C 251081342 571798296 /nfs/dbraw/zinc/79/82/96/571798296.db2.gz LWLVAHACTSUELT-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[N@@H+](CC)C[C@@H](N)C(C)C 20072978 571798314 /nfs/dbraw/zinc/79/83/14/571798314.db2.gz HAMGYGMLVOIAAZ-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCCCN(CC)C[C@@H]([NH3+])C(C)C 20072978 571798319 /nfs/dbraw/zinc/79/83/19/571798319.db2.gz HAMGYGMLVOIAAZ-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCNC[C@H](CC)[N@H+](C)[C@H](C)C1CC1 251108739 571798421 /nfs/dbraw/zinc/79/84/21/571798421.db2.gz SYENWJIJAYJYDV-PWSUYJOCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCNC[C@H](CC)[N@@H+](C)[C@H](C)C1CC1 251108739 571798424 /nfs/dbraw/zinc/79/84/24/571798424.db2.gz SYENWJIJAYJYDV-PWSUYJOCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CN(CC=C(C)C)CCC[NH2+]1 234191905 571798425 /nfs/dbraw/zinc/79/84/25/571798425.db2.gz BKFBCYUSXRBZOZ-LBPRGKRZSA-N 1 1 196.338 2.027 10 0 AEAEMO CCC(CC)[N@H+](C)[C@H]1CCC[C@H]1NC 250745520 571798445 /nfs/dbraw/zinc/79/84/45/571798445.db2.gz QHSDLEKTPJXHII-NEPJUHHUSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@H]1CCC[C@H]1NC 250745520 571798448 /nfs/dbraw/zinc/79/84/48/571798448.db2.gz QHSDLEKTPJXHII-NEPJUHHUSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](CN)[N@@H+](C)[C@H]1CCCC[C@@H]1C 251092192 571798600 /nfs/dbraw/zinc/79/86/00/571798600.db2.gz OVQCRIOVQNNSAO-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO C[N@@H+](C[C@H]1CCC[C@H]1O)CC(C)(C)C 250730059 571798632 /nfs/dbraw/zinc/79/86/32/571798632.db2.gz YSGOMENRHWYFSI-GHMZBOCLSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@@H](CN1CCC[C@H]1CC)[NH2+]C 251099463 571798724 /nfs/dbraw/zinc/79/87/24/571798724.db2.gz DDKPELBZFWLOIW-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO C[C@H]1CC(C)(C)[N@H+]1CCC(C)(C)O 687801677 571798803 /nfs/dbraw/zinc/79/88/03/571798803.db2.gz DPFYUDYAKPGIAN-VIFPVBQESA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@H](CNC)[N@@H+]1CCC[C@H](C)[C@H]1C 251095312 571799154 /nfs/dbraw/zinc/79/91/54/571799154.db2.gz PVTLQFUSYMZULC-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](CNC)[N@H+]1CCC[C@H](C)[C@H]1C 251095312 571799158 /nfs/dbraw/zinc/79/91/58/571799158.db2.gz PVTLQFUSYMZULC-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[N@@H+](C(C)C)[C@H](C)[C@H](C)O 250608669 571799389 /nfs/dbraw/zinc/79/93/89/571799389.db2.gz YGAFMMQXPDMNTO-MNOVXSKESA-N 1 1 187.327 2.122 10 0 AEAEMO CC[C@H](CNC)[N@@H+]1CCC[C@@H](C)[C@H]1C 251095309 571799482 /nfs/dbraw/zinc/79/94/82/571799482.db2.gz PVTLQFUSYMZULC-IJLUTSLNSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](CNC)[N@H+]1CCC[C@@H](C)[C@H]1C 251095309 571799484 /nfs/dbraw/zinc/79/94/84/571799484.db2.gz PVTLQFUSYMZULC-IJLUTSLNSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](O)C[N@@H+](C)[C@H](C)CC(C)C 251079680 571799497 /nfs/dbraw/zinc/79/94/97/571799497.db2.gz LKHOCGKMDQNJIB-GHMZBOCLSA-N 1 1 187.327 2.124 10 0 AEAEMO CCC(CC)[N@H+](C)[C@@H](C)[C@H](C)NC 250740509 571799538 /nfs/dbraw/zinc/79/95/38/571799538.db2.gz NUBYPXJMFJARMZ-UWVGGRQHSA-N 1 1 186.343 2.103 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@H](C)[C@H](C)NC 250740509 571799540 /nfs/dbraw/zinc/79/95/40/571799540.db2.gz NUBYPXJMFJARMZ-UWVGGRQHSA-N 1 1 186.343 2.103 10 0 AEAEMO CC(C)C[N@@H+](C(C)C)[C@@H](C)[C@H](C)N 250589918 571799560 /nfs/dbraw/zinc/79/95/60/571799560.db2.gz KCFVUQJZTDNREF-QWRGUYRKSA-N 1 1 186.343 2.089 10 0 AEAEMO CC(C)C[N@@H+](C(C)C)[C@@H](C)[C@H](C)O 250608671 571799625 /nfs/dbraw/zinc/79/96/25/571799625.db2.gz YGAFMMQXPDMNTO-QWRGUYRKSA-N 1 1 187.327 2.122 10 0 AEAEMO CC[C@H](N)C[N@@H+](C)[C@H]1CCCC[C@H]1C 251081344 571799601 /nfs/dbraw/zinc/79/96/01/571799601.db2.gz LWLVAHACTSUELT-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CC[N@@H+](C)[C@H]1CCCC[C@H]1N 250590579 571799608 /nfs/dbraw/zinc/79/96/08/571799608.db2.gz KJXGJICZKJABEP-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCN(C)[C@H]1CCCC[C@H]1[NH3+] 250590579 571799609 /nfs/dbraw/zinc/79/96/09/571799609.db2.gz KJXGJICZKJABEP-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CC[N@@H+](C)[C@@H]1CCCC[C@H]1N 250590581 571799653 /nfs/dbraw/zinc/79/96/53/571799653.db2.gz KJXGJICZKJABEP-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCN(C)[C@@H]1CCCC[C@H]1[NH3+] 250590581 571799656 /nfs/dbraw/zinc/79/96/56/571799656.db2.gz KJXGJICZKJABEP-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCC[NH2+]CC(F)F 37755687 571799685 /nfs/dbraw/zinc/79/96/85/571799685.db2.gz QZOIZMJIUPHGHV-UHFFFAOYSA-N 1 1 151.200 2.031 10 0 AEAEMO C[C@H](CN)[N@H+](C)[C@H](C)c1ccccc1 251106244 571799942 /nfs/dbraw/zinc/79/99/42/571799942.db2.gz ODVWPWDBHDRDKO-GHMZBOCLSA-N 1 1 192.306 2.027 10 0 AEAEMO C[C@H](CN)[N@@H+](C)[C@H](C)c1ccccc1 251106244 571799945 /nfs/dbraw/zinc/79/99/45/571799945.db2.gz ODVWPWDBHDRDKO-GHMZBOCLSA-N 1 1 192.306 2.027 10 0 AEAEMO CCNC[C@@H](CC)[N@H+](C)[C@H](C)C1CC1 251108742 571799991 /nfs/dbraw/zinc/79/99/91/571799991.db2.gz SYENWJIJAYJYDV-ZYHUDNBSSA-N 1 1 198.354 2.105 10 0 AEAEMO CCNC[C@@H](CC)[N@@H+](C)[C@H](C)C1CC1 251108742 571799993 /nfs/dbraw/zinc/79/99/93/571799993.db2.gz SYENWJIJAYJYDV-ZYHUDNBSSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[N@@H+](C(C)C)[C@H](C)[C@H](C)N 250589920 571800177 /nfs/dbraw/zinc/80/01/77/571800177.db2.gz KCFVUQJZTDNREF-WDEREUQCSA-N 1 1 186.343 2.089 10 0 AEAEMO C[C@@H](O)CCCC[N@@H+](C)[C@H](C)C1CC1 251163784 571800301 /nfs/dbraw/zinc/80/03/01/571800301.db2.gz CPMBXHUAXUNUFX-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC(CC)[N@H+](C)[C@@H]1CCC[C@H]1NC 250745523 571800466 /nfs/dbraw/zinc/80/04/66/571800466.db2.gz QHSDLEKTPJXHII-VXGBXAGGSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@H]1CCC[C@H]1NC 250745523 571800468 /nfs/dbraw/zinc/80/04/68/571800468.db2.gz QHSDLEKTPJXHII-VXGBXAGGSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](N)C[N@@H+](C)[C@H](C)C(C)(C)C 251084613 571800490 /nfs/dbraw/zinc/80/04/90/571800490.db2.gz MWFNPOGGLUHMDT-ZJUUUORDSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H]([NH3+])CN(C)[C@H](C)C(C)(C)C 251084613 571800491 /nfs/dbraw/zinc/80/04/91/571800491.db2.gz MWFNPOGGLUHMDT-ZJUUUORDSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C[NH+]1[C@H](C)CCC[C@H]1C)NC 251097249 571800543 /nfs/dbraw/zinc/80/05/43/571800543.db2.gz QGSQNDQWOXETKR-IJLUTSLNSA-N 1 1 198.354 2.247 10 0 AEAEMO CCCC(CCC)[N@H+]1CCNC[C@H]1C 71978855 571803675 /nfs/dbraw/zinc/80/36/75/571803675.db2.gz RZIYUURJBQUVHX-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)C[N@@H+](C(C)C)[C@@H]1CCC[C@H]1N 250508511 571800701 /nfs/dbraw/zinc/80/07/01/571800701.db2.gz AMUYSUJROPFIDH-VXGBXAGGSA-N 1 1 198.354 2.233 10 0 AEAEMO CCCC[C@H](CC)c1noc(C[NH3+])n1 73640975 571800738 /nfs/dbraw/zinc/80/07/38/571800738.db2.gz RAYYASZAJHSSLH-QMMMGPOBSA-N 1 1 197.282 2.212 10 0 AEAEMO C[C@H](O)CCCC[N@@H+](C)[C@H](C)C1CC1 251163788 571800801 /nfs/dbraw/zinc/80/08/01/571800801.db2.gz CPMBXHUAXUNUFX-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[NH2+]C[C@H](CC)N1CCC[C@H]1C 250726675 571800851 /nfs/dbraw/zinc/80/08/51/571800851.db2.gz BENMHDILPRXUEF-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCNC[C@H](C(C)C)[N@@H+]1CCC[C@H]1C 250649449 571800889 /nfs/dbraw/zinc/80/08/89/571800889.db2.gz OQIRTBNTJUTLKS-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCNC[C@H](C(C)C)[N@H+]1CCC[C@H]1C 250649449 571800891 /nfs/dbraw/zinc/80/08/91/571800891.db2.gz OQIRTBNTJUTLKS-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](O)C[N@@H+](C)[C@H](C)CC(C)C 251079683 571801022 /nfs/dbraw/zinc/80/10/22/571801022.db2.gz LKHOCGKMDQNJIB-MNOVXSKESA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@H](CN)[N@@H+](C)[C@H]1CCCC[C@H]1C 251092197 571801452 /nfs/dbraw/zinc/80/14/52/571801452.db2.gz OVQCRIOVQNNSAO-UTUOFQBUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[N@@H+](C)[C@@H]([C@H](C)N)C(C)(C)C 250517067 571801103 /nfs/dbraw/zinc/80/11/03/571801103.db2.gz QYYGWXUFZWQXIE-UWVGGRQHSA-N 1 1 186.343 2.089 10 0 AEAEMO CC(C)N(C)[C@@H]([C@H](C)[NH3+])C(C)(C)C 250517067 571801104 /nfs/dbraw/zinc/80/11/04/571801104.db2.gz QYYGWXUFZWQXIE-UWVGGRQHSA-N 1 1 186.343 2.089 10 0 AEAEMO CCC(CC)[N@H+](C)[C@H](C)[C@H](C)NC 250740512 571801155 /nfs/dbraw/zinc/80/11/55/571801155.db2.gz NUBYPXJMFJARMZ-VHSXEESVSA-N 1 1 186.343 2.103 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@H](C)[C@H](C)NC 250740512 571801158 /nfs/dbraw/zinc/80/11/58/571801158.db2.gz NUBYPXJMFJARMZ-VHSXEESVSA-N 1 1 186.343 2.103 10 0 AEAEMO CC(C)C[N@@H+](C(C)C)[C@H]1CCC[C@H]1N 250508507 571801167 /nfs/dbraw/zinc/80/11/67/571801167.db2.gz AMUYSUJROPFIDH-NEPJUHHUSA-N 1 1 198.354 2.233 10 0 AEAEMO CCC[C@H](N)C[N@H+]1CC[C@H](C)C[C@H]1C 251139337 571803756 /nfs/dbraw/zinc/80/37/56/571803756.db2.gz KYBWFAMXUZRDMT-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@@H](C)[NH+]1CC(N)(C(C)C)C1 687801760 571801354 /nfs/dbraw/zinc/80/13/54/571801354.db2.gz HNPCDPZNBXRRTD-LLVKDONJSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC[C@@H](CC)[N@H+]1CCN[C@H](C)CC1 251107624 571801380 /nfs/dbraw/zinc/80/13/80/571801380.db2.gz FQWXVENBOSUQCX-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H](CC)[N@H+]1CCN[C@H](C)CC1 251107621 571801495 /nfs/dbraw/zinc/80/14/95/571801495.db2.gz FQWXVENBOSUQCX-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](N)C[N@@H+](C)[C@@H]1CCCC[C@H]1C 251081340 571801539 /nfs/dbraw/zinc/80/15/39/571801539.db2.gz LWLVAHACTSUELT-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H]([NH3+])CN1CC[C@H](C)C[C@H]1C 251139337 571803760 /nfs/dbraw/zinc/80/37/60/571803760.db2.gz KYBWFAMXUZRDMT-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](N)C[N@@H+](C)[C@H](C)CC(C)C 251092163 571801562 /nfs/dbraw/zinc/80/15/62/571801562.db2.gz OUZYPDNWJGJYCZ-GHMZBOCLSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@H]([NH3+])CN(C)[C@H](C)CC(C)C 251092163 571801566 /nfs/dbraw/zinc/80/15/66/571801566.db2.gz OUZYPDNWJGJYCZ-GHMZBOCLSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[NH2+]C[C@@H](CC)N1CCC[C@H]1C 250726677 571801642 /nfs/dbraw/zinc/80/16/42/571801642.db2.gz BENMHDILPRXUEF-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H](CN1CCC[C@H]1CC)[NH2+]C 251099466 571801668 /nfs/dbraw/zinc/80/16/68/571801668.db2.gz DDKPELBZFWLOIW-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](N)C[N@@H+](C)[C@H](C)C(C)(C)C 251084610 571801686 /nfs/dbraw/zinc/80/16/86/571801686.db2.gz MWFNPOGGLUHMDT-NXEZZACHSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@H]([NH3+])CN(C)[C@H](C)C(C)(C)C 251084610 571801691 /nfs/dbraw/zinc/80/16/91/571801691.db2.gz MWFNPOGGLUHMDT-NXEZZACHSA-N 1 1 186.343 2.090 10 0 AEAEMO C[N@H+]1CCc2cccc3[nH]cc(c23)C1 27720135 571801734 /nfs/dbraw/zinc/80/17/34/571801734.db2.gz UNYZCCDZGZDKJH-UHFFFAOYSA-N 1 1 186.258 2.156 10 0 AEAEMO CCCC[C@@H](CC)c1noc(C[NH3+])n1 73640972 571801948 /nfs/dbraw/zinc/80/19/48/571801948.db2.gz RAYYASZAJHSSLH-MRVPVSSYSA-N 1 1 197.282 2.212 10 0 AEAEMO CC[C@H](C[N@@H+]1CCC[C@H](C)[C@H]1C)NC 251129077 571802243 /nfs/dbraw/zinc/80/22/43/571802243.db2.gz XVFGORHHSNDFOX-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C[N@H+]1CCC[C@H](C)[C@H]1C)NC 251129077 571802246 /nfs/dbraw/zinc/80/22/46/571802246.db2.gz XVFGORHHSNDFOX-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[C@@H](CC)[N@H+]1CCNC[C@@H]1C 71978826 571803680 /nfs/dbraw/zinc/80/36/80/571803680.db2.gz DPGKGFGDDNGJGC-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@@H](CC)N1CC[NH2+]C[C@@H]1C 71978826 571803683 /nfs/dbraw/zinc/80/36/83/571803683.db2.gz DPGKGFGDDNGJGC-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO C[C@H]([N@@H+](C)[C@H](CN)C1CC1)C(C)(C)C 251044347 571802368 /nfs/dbraw/zinc/80/23/68/571802368.db2.gz MGLQOFOSAJEIRZ-GXSJLCMTSA-N 1 1 198.354 2.090 10 0 AEAEMO CCCC(CCC)c1noc(C[NH3+])n1 73640994 571802418 /nfs/dbraw/zinc/80/24/18/571802418.db2.gz WWYMUIXLWRYKCQ-UHFFFAOYSA-N 1 1 197.282 2.212 10 0 AEAEMO CC(=O)[C@@H](C)[N@@H+](C)[C@H](C)C(C)(C)C 251025926 571802424 /nfs/dbraw/zinc/80/24/24/571802424.db2.gz GTQJZFNQGWGQTO-PSASIEDQSA-N 1 1 185.311 2.330 10 0 AEAEMO CC(=O)[C@H](C)[N@@H+](C)[C@H](C)C(C)(C)C 251025927 571802484 /nfs/dbraw/zinc/80/24/84/571802484.db2.gz GTQJZFNQGWGQTO-WCBMZHEXSA-N 1 1 185.311 2.330 10 0 AEAEMO C[C@@H]([N@@H+](C)[C@H](CN)C1CC1)C(C)(C)C 251044348 571802568 /nfs/dbraw/zinc/80/25/68/571802568.db2.gz MGLQOFOSAJEIRZ-MWLCHTKSSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC[C@H](CN)[N@H+]1CC[C@@H](C)C[C@H]1C 251148222 571802617 /nfs/dbraw/zinc/80/26/17/571802617.db2.gz MNLUXXXAYBKMJH-IJLUTSLNSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](CC[NH3+])[N@H+]1CC[C@H](C)C[C@H]1C 251119878 571802631 /nfs/dbraw/zinc/80/26/31/571802631.db2.gz WFGMDULUHBTQJG-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](CNC1CC1)[N@@H+]1CCC[C@H]1C 251137512 571802866 /nfs/dbraw/zinc/80/28/66/571802866.db2.gz ZTJCILGIMHNRCJ-PWSUYJOCSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@H](CNC1CC1)[N@H+]1CCC[C@H]1C 251137512 571802872 /nfs/dbraw/zinc/80/28/72/571802872.db2.gz ZTJCILGIMHNRCJ-PWSUYJOCSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@H](O)[C@@H](C)[N@@H+](C)[C@H](C)C(C)(C)C 251047676 571803172 /nfs/dbraw/zinc/80/31/72/571803172.db2.gz NKJWQLWGKRPPAI-KXUCPTDWSA-N 1 1 187.327 2.122 10 0 AEAEMO CC[C@H](N)C[N@@H+](C)[C@H]1CCC[C@H](C)C1 251052843 571803274 /nfs/dbraw/zinc/80/32/74/571803274.db2.gz GKGXSYSHCZHGPN-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]([NH3+])CN(C)[C@H]1CCC[C@H](C)C1 251052843 571803278 /nfs/dbraw/zinc/80/32/78/571803278.db2.gz GKGXSYSHCZHGPN-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](CN)[N@H+]1CCC[C@H](C)[C@H]1C 251144346 571803313 /nfs/dbraw/zinc/80/33/13/571803313.db2.gz LUOJBBFCNYJOHE-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](CN)[N@H+]1CC[C@H](C)C[C@H]1C 251148227 571803422 /nfs/dbraw/zinc/80/34/22/571803422.db2.gz MNLUXXXAYBKMJH-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](CC)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 251117696 571803584 /nfs/dbraw/zinc/80/35/84/571803584.db2.gz HKIUKGICDGGMAZ-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@H](CC)[N@H+]1CCNC[C@@H]1C 71978827 571803598 /nfs/dbraw/zinc/80/35/98/571803598.db2.gz DPGKGFGDDNGJGC-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@H](CC)N1CC[NH2+]C[C@@H]1C 71978827 571803604 /nfs/dbraw/zinc/80/36/04/571803604.db2.gz DPGKGFGDDNGJGC-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO C[C@H](O)[C@H](C)[N@@H+](C)[C@H](C)C(C)(C)C 251047678 571806363 /nfs/dbraw/zinc/80/63/63/571806363.db2.gz NKJWQLWGKRPPAI-LPEHRKFASA-N 1 1 187.327 2.122 10 0 AEAEMO CC[C@H](C[NH2+]C(C)C)N1CCC[C@H]1C 251113311 571804284 /nfs/dbraw/zinc/80/42/84/571804284.db2.gz UVEILAGKGVTGBU-VXGBXAGGSA-N 1 1 198.354 2.247 10 0 AEAEMO C[C@H](N)[C@H](C)[N@@H+](C)[C@H](C)C(C)(C)C 251047622 571804502 /nfs/dbraw/zinc/80/45/02/571804502.db2.gz NIITUMNHBFGDKL-LPEHRKFASA-N 1 1 186.343 2.089 10 0 AEAEMO C[C@H]([NH3+])[C@H](C)N(C)[C@H](C)C(C)(C)C 251047622 571804507 /nfs/dbraw/zinc/80/45/07/571804507.db2.gz NIITUMNHBFGDKL-LPEHRKFASA-N 1 1 186.343 2.089 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@H]1CCCC[C@H]1N 250782943 571804584 /nfs/dbraw/zinc/80/45/84/571804584.db2.gz UJIYJTJIILIQEZ-VXGBXAGGSA-N 1 1 198.354 2.377 10 0 AEAEMO CC[C@H](CN)[N@@H+](C)[C@H](C)CC(C)C 251056012 571804669 /nfs/dbraw/zinc/80/46/69/571804669.db2.gz HAABBTLZPRMMTG-GHMZBOCLSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@H](CN)[N@@H+](C)[C@H](C)CC(C)C 251056018 571804704 /nfs/dbraw/zinc/80/47/04/571804704.db2.gz HAABBTLZPRMMTG-MNOVXSKESA-N 1 1 186.343 2.090 10 0 AEAEMO CN(C)C(C)(C)[C@@H]([NH3+])CC1CCCC1 74236720 571804781 /nfs/dbraw/zinc/80/47/81/571804781.db2.gz XZEUBLWHVKMXMI-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](N)C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 251052846 571804793 /nfs/dbraw/zinc/80/47/93/571804793.db2.gz GKGXSYSHCZHGPN-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]([NH3+])CN(C)[C@H]1CCC[C@@H](C)C1 251052846 571804795 /nfs/dbraw/zinc/80/47/95/571804795.db2.gz GKGXSYSHCZHGPN-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](CC)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 251117699 571804807 /nfs/dbraw/zinc/80/48/07/571804807.db2.gz HKIUKGICDGGMAZ-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H](N)[C@@H](C)[N@@H+](C)[C@H](C)C(C)(C)C 251047619 571804861 /nfs/dbraw/zinc/80/48/61/571804861.db2.gz NIITUMNHBFGDKL-IVZWLZJFSA-N 1 1 186.343 2.089 10 0 AEAEMO C[C@H]([NH3+])[C@@H](C)N(C)[C@H](C)C(C)(C)C 251047619 571804862 /nfs/dbraw/zinc/80/48/62/571804862.db2.gz NIITUMNHBFGDKL-IVZWLZJFSA-N 1 1 186.343 2.089 10 0 AEAEMO CC[C@H](CNC1CC1)[N@@H+]1CCC[C@H]1C 251137518 571805008 /nfs/dbraw/zinc/80/50/08/571805008.db2.gz ZTJCILGIMHNRCJ-ZYHUDNBSSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H](CNC1CC1)[N@H+]1CCC[C@H]1C 251137518 571805013 /nfs/dbraw/zinc/80/50/13/571805013.db2.gz ZTJCILGIMHNRCJ-ZYHUDNBSSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H](CC[NH3+])[N@H+]1CC[C@@H](C)C[C@H]1C 251119875 571805021 /nfs/dbraw/zinc/80/50/21/571805021.db2.gz WFGMDULUHBTQJG-IJLUTSLNSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](CNC)[N@@H+]1CC[C@@H](C)C[C@H]1C 251038925 571805501 /nfs/dbraw/zinc/80/55/01/571805501.db2.gz BXRBMGKOGKHRAU-IJLUTSLNSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](CNC)[N@H+]1CC[C@@H](C)C[C@H]1C 251038925 571805504 /nfs/dbraw/zinc/80/55/04/571805504.db2.gz BXRBMGKOGKHRAU-IJLUTSLNSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@@H+]1CCC[C@H](N(CC)CC)C1 73652280 571805583 /nfs/dbraw/zinc/80/55/83/571805583.db2.gz HZWVCENCQANHEN-LBPRGKRZSA-N 1 1 198.354 2.203 10 0 AEAEMO CCC[N@H+]1CCC[C@H](N(CC)CC)C1 73652280 571805588 /nfs/dbraw/zinc/80/55/88/571805588.db2.gz HZWVCENCQANHEN-LBPRGKRZSA-N 1 1 198.354 2.203 10 0 AEAEMO CC[C@H](CN)[N@@H+](C)[C@H]1CCC[C@@H](C)C1 251051884 571805647 /nfs/dbraw/zinc/80/56/47/571805647.db2.gz GGSRGWYNYNQWQV-UTUOFQBUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@H](N)C(C)(C)[NH+]1CCCC1 74236715 571805935 /nfs/dbraw/zinc/80/59/35/571805935.db2.gz CGTMYZTYWBAVFP-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCCCN1C[C@H]([NH3+])CC[C@H]1C 250829006 571805993 /nfs/dbraw/zinc/80/59/93/571805993.db2.gz PHKXPPFHLWMQTQ-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCC[N@@H+]1C[C@H](N)CC[C@H]1C 250829006 571806001 /nfs/dbraw/zinc/80/60/01/571806001.db2.gz PHKXPPFHLWMQTQ-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCC[N@H+]1C[C@H](N)CC[C@H]1C 250829006 571806006 /nfs/dbraw/zinc/80/60/06/571806006.db2.gz PHKXPPFHLWMQTQ-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@H](N)C[N@H+]1CC[C@@H](C)C[C@H]1C 251139341 571806116 /nfs/dbraw/zinc/80/61/16/571806116.db2.gz KYBWFAMXUZRDMT-UTUOFQBUSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H]([NH3+])CN1CC[C@@H](C)C[C@H]1C 251139341 571806122 /nfs/dbraw/zinc/80/61/22/571806122.db2.gz KYBWFAMXUZRDMT-UTUOFQBUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@@H](N)C(C)(C)[NH+]1CCCC1 74236716 571806124 /nfs/dbraw/zinc/80/61/24/571806124.db2.gz CGTMYZTYWBAVFP-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](CN)[N@@H+](C)[C@H]1CCC[C@H](C)C1 251051882 571806374 /nfs/dbraw/zinc/80/63/74/571806374.db2.gz GGSRGWYNYNQWQV-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C[N@@H+]1CCC[C@@H](C)[C@H]1C)NC 251129075 571806490 /nfs/dbraw/zinc/80/64/90/571806490.db2.gz XVFGORHHSNDFOX-IJLUTSLNSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C[N@H+]1CCC[C@@H](C)[C@H]1C)NC 251129075 571806491 /nfs/dbraw/zinc/80/64/91/571806491.db2.gz XVFGORHHSNDFOX-IJLUTSLNSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCCCCN1C[C@@H]([NH3+])CC[C@H]1C 250829005 571806526 /nfs/dbraw/zinc/80/65/26/571806526.db2.gz PHKXPPFHLWMQTQ-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCC[N@@H+]1C[C@@H](N)CC[C@H]1C 250829005 571806527 /nfs/dbraw/zinc/80/65/27/571806527.db2.gz PHKXPPFHLWMQTQ-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCC[N@H+]1C[C@@H](N)CC[C@H]1C 250829005 571806531 /nfs/dbraw/zinc/80/65/31/571806531.db2.gz PHKXPPFHLWMQTQ-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@@H](C[NH2+]C(C)C)N1CCC[C@H]1C 251113307 571806562 /nfs/dbraw/zinc/80/65/62/571806562.db2.gz UVEILAGKGVTGBU-NEPJUHHUSA-N 1 1 198.354 2.247 10 0 AEAEMO C/C=C/C[N@H+]1C[C@H](CC)NCC1(C)C 234204683 571806582 /nfs/dbraw/zinc/80/65/82/571806582.db2.gz FSDBMQAVMMFHAC-ZRQQLDRUSA-N 1 1 196.338 2.025 10 0 AEAEMO C/C=C/C[N@@H+]1C[C@H](CC)NCC1(C)C 234204683 571806584 /nfs/dbraw/zinc/80/65/84/571806584.db2.gz FSDBMQAVMMFHAC-ZRQQLDRUSA-N 1 1 196.338 2.025 10 0 AEAEMO CCC[C@H](CN)[N@H+]1CCC[C@@H](C)[C@H]1C 251144343 571806657 /nfs/dbraw/zinc/80/66/57/571806657.db2.gz LUOJBBFCNYJOHE-IJLUTSLNSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](C)[C@@]1(CN)CC[C@@H](C)[C@@H](C)C1 220693645 571806888 /nfs/dbraw/zinc/80/68/88/571806888.db2.gz MJURBTKERSUNLD-WOPDTQHZSA-N 1 1 198.354 2.092 10 0 AEAEMO CCN(C)[C@@]1(C[NH3+])CC[C@@H](C)[C@@H](C)C1 220693645 571806893 /nfs/dbraw/zinc/80/68/93/571806893.db2.gz MJURBTKERSUNLD-WOPDTQHZSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCN1CC[C@@H]([NH2+]C(C)C)[C@H](C)C1 73653958 571806934 /nfs/dbraw/zinc/80/69/34/571806934.db2.gz ADZNRKNRYPYLKP-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](CNC)[N@@H+]1CC[C@H](C)C[C@H]1C 251038927 571807007 /nfs/dbraw/zinc/80/70/07/571807007.db2.gz BXRBMGKOGKHRAU-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](CNC)[N@H+]1CC[C@H](C)C[C@H]1C 251038927 571807013 /nfs/dbraw/zinc/80/70/13/571807013.db2.gz BXRBMGKOGKHRAU-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CN(C)C(C)(C)[C@H]([NH3+])CC1CCCC1 74236719 571807028 /nfs/dbraw/zinc/80/70/28/571807028.db2.gz XZEUBLWHVKMXMI-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)C[C@H]1CCCC1=O 251264383 571810036 /nfs/dbraw/zinc/81/00/36/571810036.db2.gz DFYDXVVRCQGCEE-WDEREUQCSA-N 1 1 197.322 2.476 10 0 AEAEMO CCCN1CC[C@@H]([NH2+]C2CC2)C[C@@H]1C 73655913 571807388 /nfs/dbraw/zinc/80/73/88/571807388.db2.gz IIGIBZRCIARKKG-CMPLNLGQSA-N 1 1 196.338 2.001 10 0 AEAEMO CCC[N@@H+]1CCC[C@@H](N(CC)CC)C1 73652288 571807458 /nfs/dbraw/zinc/80/74/58/571807458.db2.gz HZWVCENCQANHEN-GFCCVEGCSA-N 1 1 198.354 2.203 10 0 AEAEMO CCC[N@H+]1CCC[C@@H](N(CC)CC)C1 73652288 571807460 /nfs/dbraw/zinc/80/74/60/571807460.db2.gz HZWVCENCQANHEN-GFCCVEGCSA-N 1 1 198.354 2.203 10 0 AEAEMO CC(C)C[N@@H+]1CC[C@H](N(C)C)C[C@@H]1C 73656382 571807657 /nfs/dbraw/zinc/80/76/57/571807657.db2.gz ATOCDUWIRQHKJB-RYUDHWBXSA-N 1 1 198.354 2.057 10 0 AEAEMO CC(C)C[N@H+]1CC[C@H](N(C)C)C[C@@H]1C 73656382 571807661 /nfs/dbraw/zinc/80/76/61/571807661.db2.gz ATOCDUWIRQHKJB-RYUDHWBXSA-N 1 1 198.354 2.057 10 0 AEAEMO CCC(=O)C[N@@H+](C)[C@H]1CCCC[C@H]1C 251231483 571807807 /nfs/dbraw/zinc/80/78/07/571807807.db2.gz QHQJNUSTNVQLDC-PWSUYJOCSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@@H](C(C)C)[N@H+]1CCCC[C@H]1CN 251273639 571807863 /nfs/dbraw/zinc/80/78/63/571807863.db2.gz MYNQOZIBCQBBIG-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](O)[C@@H](C)[N@@H+](C)[C@H](C)C(C)C 251190510 571807912 /nfs/dbraw/zinc/80/79/12/571807912.db2.gz ANCTVKITWWVRMV-MXWKQRLJSA-N 1 1 187.327 2.122 10 0 AEAEMO CCCC[N@@H+]1CC[C@H](N(C)C)C[C@@H]1C 73656128 571807939 /nfs/dbraw/zinc/80/79/39/571807939.db2.gz VURIISBOLQBVAB-RYUDHWBXSA-N 1 1 198.354 2.201 10 0 AEAEMO CCCC[N@H+]1CC[C@H](N(C)C)C[C@@H]1C 73656128 571807940 /nfs/dbraw/zinc/80/79/40/571807940.db2.gz VURIISBOLQBVAB-RYUDHWBXSA-N 1 1 198.354 2.201 10 0 AEAEMO CC[C@](C)(CN)C[N@@H+]1CCCC[C@H]1C 251216868 571807955 /nfs/dbraw/zinc/80/79/55/571807955.db2.gz FIDPGIGHXCMRHM-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@](C)(CN)C[N@H+]1CCCC[C@H]1C 251216868 571807957 /nfs/dbraw/zinc/80/79/57/571807957.db2.gz FIDPGIGHXCMRHM-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@](C)(CO)C[N@@H+](C)[C@H](C)C1CC1 251233167 571807987 /nfs/dbraw/zinc/80/79/87/571807987.db2.gz HUOMHMJQFWKYNI-PWSUYJOCSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@@H+](C)[C@H](C)C(C)C 251190518 571808037 /nfs/dbraw/zinc/80/80/37/571808037.db2.gz ANCTVKITWWVRMV-VWYCJHECSA-N 1 1 187.327 2.122 10 0 AEAEMO CC(C)C[N@@H+]1CC[C@@H](N(C)C)C[C@H]1C 73656372 571808044 /nfs/dbraw/zinc/80/80/44/571808044.db2.gz ATOCDUWIRQHKJB-VXGBXAGGSA-N 1 1 198.354 2.057 10 0 AEAEMO CC(C)C[N@H+]1CC[C@@H](N(C)C)C[C@H]1C 73656372 571808048 /nfs/dbraw/zinc/80/80/48/571808048.db2.gz ATOCDUWIRQHKJB-VXGBXAGGSA-N 1 1 198.354 2.057 10 0 AEAEMO CCCC[N@@H+]1CC[C@@H](N(C)C)C[C@@H]1C 73656130 571808174 /nfs/dbraw/zinc/80/81/74/571808174.db2.gz VURIISBOLQBVAB-NWDGAFQWSA-N 1 1 198.354 2.201 10 0 AEAEMO CCCC[N@H+]1CC[C@@H](N(C)C)C[C@@H]1C 73656130 571808180 /nfs/dbraw/zinc/80/81/80/571808180.db2.gz VURIISBOLQBVAB-NWDGAFQWSA-N 1 1 198.354 2.201 10 0 AEAEMO CCCN1CC[C@H]([NH2+]C2CC2)C[C@@H]1C 73655910 571808629 /nfs/dbraw/zinc/80/86/29/571808629.db2.gz IIGIBZRCIARKKG-JQWIXIFHSA-N 1 1 196.338 2.001 10 0 AEAEMO CC(C)C[N@@H+]1CC[C@@H](N(C)C)C[C@@H]1C 73656377 571808757 /nfs/dbraw/zinc/80/87/57/571808757.db2.gz ATOCDUWIRQHKJB-NWDGAFQWSA-N 1 1 198.354 2.057 10 0 AEAEMO CC(C)C[N@H+]1CC[C@@H](N(C)C)C[C@@H]1C 73656377 571808758 /nfs/dbraw/zinc/80/87/58/571808758.db2.gz ATOCDUWIRQHKJB-NWDGAFQWSA-N 1 1 198.354 2.057 10 0 AEAEMO CC(C)C[N@@H+]1CC[C@H](N(C)C)C[C@H]1C 73656379 571808881 /nfs/dbraw/zinc/80/88/81/571808881.db2.gz ATOCDUWIRQHKJB-NEPJUHHUSA-N 1 1 198.354 2.057 10 0 AEAEMO CC(C)C[N@H+]1CC[C@H](N(C)C)C[C@H]1C 73656379 571808882 /nfs/dbraw/zinc/80/88/82/571808882.db2.gz ATOCDUWIRQHKJB-NEPJUHHUSA-N 1 1 198.354 2.057 10 0 AEAEMO CC[NH2+][C@H](CC)[C@@H](C)N1CCC[C@H]1C 251203752 571809174 /nfs/dbraw/zinc/80/91/74/571809174.db2.gz CIFLCKHXHZALAU-IJLUTSLNSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(=O)C[N@@H+](C)[C@@H]1CCCC[C@H]1C 251231485 571809502 /nfs/dbraw/zinc/80/95/02/571809502.db2.gz QHQJNUSTNVQLDC-ZYHUDNBSSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC[C@H](N)C[N@H+]1CCC[C@@H](C)[C@H]1C 251203632 571809637 /nfs/dbraw/zinc/80/96/37/571809637.db2.gz VTRQWSQWYLSFIC-UTUOFQBUSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H]([NH3+])CN1CCC[C@@H](C)[C@H]1C 251203632 571809639 /nfs/dbraw/zinc/80/96/39/571809639.db2.gz VTRQWSQWYLSFIC-UTUOFQBUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@](C)(CO)C[N@@H+](C)[C@H](C)C1CC1 251233168 571809858 /nfs/dbraw/zinc/80/98/58/571809858.db2.gz HUOMHMJQFWKYNI-ZYHUDNBSSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](CN)[N@@H+](C)[C@H](C)C(C)(C)C 251074934 571809881 /nfs/dbraw/zinc/80/98/81/571809881.db2.gz KHRNSWPKHBRNKF-NXEZZACHSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[C@H](N)C[N@H+]1CCC[C@H](C)[C@H]1C 251203629 571809923 /nfs/dbraw/zinc/80/99/23/571809923.db2.gz VTRQWSQWYLSFIC-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H]([NH3+])CN1CCC[C@H](C)[C@H]1C 251203629 571809926 /nfs/dbraw/zinc/80/99/26/571809926.db2.gz VTRQWSQWYLSFIC-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H]([NH3+])C(C)(C)N(CC)CC 74279788 571809941 /nfs/dbraw/zinc/80/99/41/571809941.db2.gz UTJYYHHMWCVEPK-JTQLQIEISA-N 1 1 186.343 2.234 10 0 AEAEMO CCN[C@@H]1CC[N@@H+]([C@H](CC)C(C)C)C1 251216006 571810176 /nfs/dbraw/zinc/81/01/76/571810176.db2.gz FHCLSQPPYKGHFU-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCN[C@@H]1CC[N@H+]([C@H](CC)C(C)C)C1 251216006 571810179 /nfs/dbraw/zinc/81/01/79/571810179.db2.gz FHCLSQPPYKGHFU-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1C 251268585 571810393 /nfs/dbraw/zinc/81/03/93/571810393.db2.gz DTRIRYIKWTZQHA-GHMZBOCLSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCC1=O 251264380 571810434 /nfs/dbraw/zinc/81/04/34/571810434.db2.gz DFYDXVVRCQGCEE-GHMZBOCLSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@](C)(CO)C[N@H+]1CCCC[C@H]1C 251245910 571810683 /nfs/dbraw/zinc/81/06/83/571810683.db2.gz JMDDJQQRDFZPQW-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@H](O)C[N@H+]1CC[C@H](C)C[C@H]1C 251192030 571810707 /nfs/dbraw/zinc/81/07/07/571810707.db2.gz TVXFOJGLTCWTPY-TUAOUCFPSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCCC[C@H]1CO 251249419 571810765 /nfs/dbraw/zinc/81/07/65/571810765.db2.gz BOAUZJAVWNSOMD-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@H](CN)[N@@H+](C)[C@H](C)C(C)(C)C 251074935 571810792 /nfs/dbraw/zinc/81/07/92/571810792.db2.gz KHRNSWPKHBRNKF-ZJUUUORDSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC(=O)[C@@H](C)[N@@H+](C)C(C)(C)C 143437669 571811040 /nfs/dbraw/zinc/81/10/40/571811040.db2.gz GRCYGJNVXJTDJX-MRVPVSSYSA-N 1 1 171.284 2.084 10 0 AEAEMO CC[C@@](C)(CO)C[N@H+]1CCCC[C@H]1C 251245914 571811428 /nfs/dbraw/zinc/81/14/28/571811428.db2.gz JMDDJQQRDFZPQW-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CCCC(=O)C[N@H+]1CCC[C@H](C)[C@H]1C 251268589 571811544 /nfs/dbraw/zinc/81/15/44/571811544.db2.gz DTRIRYIKWTZQHA-WDEREUQCSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[NH2+][C@H](CC)[C@H](C)N1CCC[C@H]1C 251203748 571811637 /nfs/dbraw/zinc/81/16/37/571811637.db2.gz CIFLCKHXHZALAU-GRYCIOLGSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](C(C)C)[N@H+]1CCCC[C@H]1CN 251273636 571812361 /nfs/dbraw/zinc/81/23/61/571812361.db2.gz MYNQOZIBCQBBIG-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@](C)(CN)C[N@@H+]1CCCC[C@H]1C 251216865 571812460 /nfs/dbraw/zinc/81/24/60/571812460.db2.gz FIDPGIGHXCMRHM-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@](C)(CN)C[N@H+]1CCCC[C@H]1C 251216865 571812462 /nfs/dbraw/zinc/81/24/62/571812462.db2.gz FIDPGIGHXCMRHM-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@H]([NH3+])C(C)(C)N(CC)CC 74279790 571812628 /nfs/dbraw/zinc/81/26/28/571812628.db2.gz UTJYYHHMWCVEPK-SNVBAGLBSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCCC[C@H]1CO 251249422 571812648 /nfs/dbraw/zinc/81/26/48/571812648.db2.gz BOAUZJAVWNSOMD-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)C[C@@H](C)[N@@H+](C)[C@H](CN)C1CC1 251461688 571813143 /nfs/dbraw/zinc/81/31/43/571813143.db2.gz YXULVWBLTJUPBT-ZYHUDNBSSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC[C@H](C)[N@H+](C)[C@H](C)CNC1CC1 251390560 571813181 /nfs/dbraw/zinc/81/31/81/571813181.db2.gz YAIRUGRZTGJAPH-WDEREUQCSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@H](C)CNC1CC1 251390560 571813183 /nfs/dbraw/zinc/81/31/83/571813183.db2.gz YAIRUGRZTGJAPH-WDEREUQCSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@H](C)[C@@H](CN)[N@H+]1CCC[C@H]1C 251372654 571813276 /nfs/dbraw/zinc/81/32/76/571813276.db2.gz UVOWIHKBFQNSRW-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@@H](C)[N@@H+](C)[C@H]1CCCC1=O 251389223 571813340 /nfs/dbraw/zinc/81/33/40/571813340.db2.gz JIARRXKJKRLYCM-MNOVXSKESA-N 1 1 197.322 2.474 10 0 AEAEMO CN[C@@H]1CCC[C@H]1[N@H+](C)[C@H](C)C(C)C 251363592 571813435 /nfs/dbraw/zinc/81/34/35/571813435.db2.gz VWKCSMVZCFUIFE-IJLUTSLNSA-N 1 1 198.354 2.103 10 0 AEAEMO CN[C@@H]1CCC[C@H]1[N@@H+](C)[C@H](C)C(C)C 251363592 571813441 /nfs/dbraw/zinc/81/34/41/571813441.db2.gz VWKCSMVZCFUIFE-IJLUTSLNSA-N 1 1 198.354 2.103 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCN[C@H](CC)CC1 251328000 571813487 /nfs/dbraw/zinc/81/34/87/571813487.db2.gz MYLCFXSNDRGEKU-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H](C)N1CC[NH2+][C@H](CC)CC1 251328000 571813492 /nfs/dbraw/zinc/81/34/92/571813492.db2.gz MYLCFXSNDRGEKU-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@](C)(CN)C[N@@H+]1CCC[C@H]1C 251387946 571813698 /nfs/dbraw/zinc/81/36/98/571813698.db2.gz XIFIDSVEYUTYDW-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@](C)(CN)C[N@H+]1CCC[C@H]1C 251387946 571813701 /nfs/dbraw/zinc/81/37/01/571813701.db2.gz XIFIDSVEYUTYDW-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H](C)[N@H+](C)[C@@H]1CCC[C@H]1NC 251294004 571813715 /nfs/dbraw/zinc/81/37/15/571813715.db2.gz IBISBNWWMBUQDW-QJPTWQEYSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@H]1NC 251294004 571813719 /nfs/dbraw/zinc/81/37/19/571813719.db2.gz IBISBNWWMBUQDW-QJPTWQEYSA-N 1 1 198.354 2.247 10 0 AEAEMO CCCC[C@@H](CN)[N@H+]1CCC[C@H]1CC 251426197 571813815 /nfs/dbraw/zinc/81/38/15/571813815.db2.gz ZNYGJHCWQNAJFF-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)C[C@H]1CCCC1=O 251337629 571813821 /nfs/dbraw/zinc/81/38/21/571813821.db2.gz POCYLDKLSXXBGS-GHMZBOCLSA-N 1 1 197.322 2.332 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)[C@H]1CCCC1=O 251389224 571813825 /nfs/dbraw/zinc/81/38/25/571813825.db2.gz JIARRXKJKRLYCM-QWRGUYRKSA-N 1 1 197.322 2.474 10 0 AEAEMO CCCC(=O)C[N@H+]1CC[C@H](C)C[C@H]1C 251382385 571815715 /nfs/dbraw/zinc/81/57/15/571815715.db2.gz WHNWGKLHSDHDCR-WDEREUQCSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(C)C[C@H](C)[N@H+](C)[C@H]1CCCNC1 251355400 571814205 /nfs/dbraw/zinc/81/42/05/571814205.db2.gz CIQCKNPJVCMSBG-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)[C@H]1CCCNC1 251355400 571814209 /nfs/dbraw/zinc/81/42/09/571814209.db2.gz CIQCKNPJVCMSBG-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)[C@H](C)[C@H](C)O 251362021 571814235 /nfs/dbraw/zinc/81/42/35/571814235.db2.gz DKRVFLIEBHYGCJ-AXFHLTTASA-N 1 1 187.327 2.122 10 0 AEAEMO CC(C)C[N@H+](CCCN(C)C)C1CC1 687802134 571814338 /nfs/dbraw/zinc/81/43/38/571814338.db2.gz UJXABONZYZNNTG-UHFFFAOYSA-N 1 1 198.354 2.059 10 0 AEAEMO CC(C)C[N@@H+](CCCN(C)C)C1CC1 687802134 571814342 /nfs/dbraw/zinc/81/43/42/571814342.db2.gz UJXABONZYZNNTG-UHFFFAOYSA-N 1 1 198.354 2.059 10 0 AEAEMO C[NH2+][C@@H](C(F)F)[C@@H]1Cc2ccccc21 687802180 571815726 /nfs/dbraw/zinc/81/57/26/571815726.db2.gz CMBVPVHDKUIEAT-NXEZZACHSA-N 1 1 197.228 2.179 10 0 AEAEMO CCC[C@@](C)(N)C[N@H+]1CCCC[C@H]1C 251362778 571814449 /nfs/dbraw/zinc/81/44/49/571814449.db2.gz SMKKIESSCALMGE-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@@](C)([NH3+])CN1CCCC[C@H]1C 251362778 571814453 /nfs/dbraw/zinc/81/44/53/571814453.db2.gz SMKKIESSCALMGE-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@](C)(CN)C[N@H+](C)[C@H](C)C1CC1 251378059 571814496 /nfs/dbraw/zinc/81/44/96/571814496.db2.gz ZNWQLGFYKSBTKE-ZYHUDNBSSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@](C)(CN)C[N@@H+](C)[C@H](C)C1CC1 251378059 571814500 /nfs/dbraw/zinc/81/45/00/571814500.db2.gz ZNWQLGFYKSBTKE-ZYHUDNBSSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCN[C@H](CC)CC1 251328003 571814514 /nfs/dbraw/zinc/81/45/14/571814514.db2.gz MYLCFXSNDRGEKU-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H](C)N1CC[NH2+][C@H](CC)CC1 251328003 571814515 /nfs/dbraw/zinc/81/45/15/571814515.db2.gz MYLCFXSNDRGEKU-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)CC[N@@H+](C1CC1)[C@@H]1CCOC1 687802104 571817600 /nfs/dbraw/zinc/81/76/00/571817600.db2.gz ZABYXHJYPHYMJJ-GFCCVEGCSA-N 1 1 197.322 2.286 10 0 AEAEMO CC(C)[C@H](C)[N@H+](C)C[C@H]1CCCCN1 251287561 571815310 /nfs/dbraw/zinc/81/53/10/571815310.db2.gz FNTOPTAPPXCESX-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)[C@H](C)[C@@H](C)N 251401236 571814672 /nfs/dbraw/zinc/81/46/72/571814672.db2.gz LYYFGZSRINOAGO-HBNTYKKESA-N 1 1 186.343 2.089 10 0 AEAEMO CC(C)C[C@H](C)N(C)[C@H](C)[C@@H](C)[NH3+] 251401236 571814675 /nfs/dbraw/zinc/81/46/75/571814675.db2.gz LYYFGZSRINOAGO-HBNTYKKESA-N 1 1 186.343 2.089 10 0 AEAEMO C[NH2+][C@@H](C(F)F)[C@H]1Cc2ccccc21 687802182 571814727 /nfs/dbraw/zinc/81/47/27/571814727.db2.gz CMBVPVHDKUIEAT-VHSXEESVSA-N 1 1 197.228 2.179 10 0 AEAEMO CC(C)[C@@H](C)[N@H+](C)C[C@H]1CCCCN1 251287567 571814728 /nfs/dbraw/zinc/81/47/28/571814728.db2.gz FNTOPTAPPXCESX-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)C[N@H+](C)[C@H](C)CNC1CC1 251669021 571817415 /nfs/dbraw/zinc/81/74/15/571817415.db2.gz CJAAYHZJKOWJAB-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[C@H](CN)[N@@H+](C)[C@H](C)CC 251318646 571814753 /nfs/dbraw/zinc/81/47/53/571814753.db2.gz JSVYPVRIIRHXDW-GHMZBOCLSA-N 1 1 186.343 2.234 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)[C@H](C)[C@H](C)N 251401235 571814778 /nfs/dbraw/zinc/81/47/78/571814778.db2.gz LYYFGZSRINOAGO-GARJFASQSA-N 1 1 186.343 2.089 10 0 AEAEMO CC(C)C[C@H](C)N(C)[C@H](C)[C@H](C)[NH3+] 251401235 571814780 /nfs/dbraw/zinc/81/47/80/571814780.db2.gz LYYFGZSRINOAGO-GARJFASQSA-N 1 1 186.343 2.089 10 0 AEAEMO CCC[C@@](C)(CO)C[N@H+]1CCC[C@H]1C 251343853 571817612 /nfs/dbraw/zinc/81/76/12/571817612.db2.gz PGJNFMBYZQWVEE-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)C[C@@H](C)[N@H+](C)[C@H]1CCCNC1 251355396 571814963 /nfs/dbraw/zinc/81/49/63/571814963.db2.gz CIQCKNPJVCMSBG-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[C@@H](C)[N@@H+](C)[C@H]1CCCNC1 251355396 571814965 /nfs/dbraw/zinc/81/49/65/571814965.db2.gz CIQCKNPJVCMSBG-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(=O)[C@@H](C)[N@H+](C)[C@H](C)CC(C)C 251387420 571815018 /nfs/dbraw/zinc/81/50/18/571815018.db2.gz IXRRLABXPGTHAR-NXEZZACHSA-N 1 1 185.311 2.330 10 0 AEAEMO CCC[C@@](C)(CN)[N@H+]1CCCC[C@H]1C 251314729 571815066 /nfs/dbraw/zinc/81/50/66/571815066.db2.gz KWSFVNLNVITSLQ-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[N@@H+](CC(C)(C)O)C1CCCC1 687802124 571815161 /nfs/dbraw/zinc/81/51/61/571815161.db2.gz KMZKPJBVEAKUSK-UHFFFAOYSA-N 1 1 199.338 2.412 10 0 AEAEMO CC(C)[C@@H](C)[N@H+](C)[C@H](C)CNC1CC1 251314751 571815197 /nfs/dbraw/zinc/81/51/97/571815197.db2.gz KWTYQFGXZCZMRM-GHMZBOCLSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)[C@H](C)CNC1CC1 251314751 571815199 /nfs/dbraw/zinc/81/51/99/571815199.db2.gz KWTYQFGXZCZMRM-GHMZBOCLSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)[C@H](CN)C1CC1 251461685 571815207 /nfs/dbraw/zinc/81/52/07/571815207.db2.gz YXULVWBLTJUPBT-CMPLNLGQSA-N 1 1 198.354 2.090 10 0 AEAEMO CCCC[C@H](CN)[N@H+]1CCCC[C@H]1C 251305614 571815221 /nfs/dbraw/zinc/81/52/21/571815221.db2.gz IFFQDHDKIVIKPY-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@H](C)C[N@H+]1C[C@H](N)CC[C@H]1C 251287351 571815229 /nfs/dbraw/zinc/81/52/29/571815229.db2.gz HAGZFVPZLYLELN-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)[C@H]1CCC[C@H]1N 251459600 571815520 /nfs/dbraw/zinc/81/55/20/571815520.db2.gz YNQNOLKNPANGRI-TUAOUCFPSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[C@H](C)N(C)[C@H]1CCC[C@H]1[NH3+] 251459600 571815523 /nfs/dbraw/zinc/81/55/23/571815523.db2.gz YNQNOLKNPANGRI-TUAOUCFPSA-N 1 1 198.354 2.233 10 0 AEAEMO CCC[C@H](C)[N@H+](C)[C@H]1CCC[C@@H]1NC 251294007 571815671 /nfs/dbraw/zinc/81/56/71/571815671.db2.gz IBISBNWWMBUQDW-SRVKXCTJSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@H]1CCC[C@@H]1NC 251294007 571815674 /nfs/dbraw/zinc/81/56/74/571815674.db2.gz IBISBNWWMBUQDW-SRVKXCTJSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@H](C)[C@H](CN)[N@H+]1CCC[C@H]1C 251372658 571815695 /nfs/dbraw/zinc/81/56/95/571815695.db2.gz UVOWIHKBFQNSRW-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[C@H](C)[N@H+](C)[C@H](C)CNC1CC1 251314753 571815741 /nfs/dbraw/zinc/81/57/41/571815741.db2.gz KWTYQFGXZCZMRM-MNOVXSKESA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)[C@H](C)CNC1CC1 251314753 571815743 /nfs/dbraw/zinc/81/57/43/571815743.db2.gz KWTYQFGXZCZMRM-MNOVXSKESA-N 1 1 198.354 2.103 10 0 AEAEMO CCC[C@H](C)[N@H+](C)[C@H]1CCC[C@H]1NC 251294010 571815771 /nfs/dbraw/zinc/81/57/71/571815771.db2.gz IBISBNWWMBUQDW-TUAOUCFPSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@H]1CCC[C@H]1NC 251294010 571815772 /nfs/dbraw/zinc/81/57/72/571815772.db2.gz IBISBNWWMBUQDW-TUAOUCFPSA-N 1 1 198.354 2.247 10 0 AEAEMO CC(C)C[C@@H](C)[N@H+]1CCCC[C@H]1CN 251368022 571815826 /nfs/dbraw/zinc/81/58/26/571815826.db2.gz FMQYFEJKTPZIQS-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)[C@H]1CCC[C@@H]1N 251459597 571815833 /nfs/dbraw/zinc/81/58/33/571815833.db2.gz YNQNOLKNPANGRI-SRVKXCTJSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[C@H](C)N(C)[C@H]1CCC[C@@H]1[NH3+] 251459597 571815841 /nfs/dbraw/zinc/81/58/41/571815841.db2.gz YNQNOLKNPANGRI-SRVKXCTJSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)[C@@H](C)[C@H](C)N 251401232 571815944 /nfs/dbraw/zinc/81/59/44/571815944.db2.gz LYYFGZSRINOAGO-DCAQKATOSA-N 1 1 186.343 2.089 10 0 AEAEMO CC(C)C[C@H](C)N(C)[C@@H](C)[C@H](C)[NH3+] 251401232 571815948 /nfs/dbraw/zinc/81/59/48/571815948.db2.gz LYYFGZSRINOAGO-DCAQKATOSA-N 1 1 186.343 2.089 10 0 AEAEMO C[C@H]1CCC[N@H+]1[C@@H]1CCCCCC1=O 37910140 571816143 /nfs/dbraw/zinc/81/61/43/571816143.db2.gz FMXGHQCQPMLWLI-WDEREUQCSA-N 1 1 195.306 2.373 10 0 AEAEMO C[NH2+][C@H](C(F)F)[C@@H]1Cc2ccccc21 687802183 571816154 /nfs/dbraw/zinc/81/61/54/571816154.db2.gz CMBVPVHDKUIEAT-ZJUUUORDSA-N 1 1 197.228 2.179 10 0 AEAEMO CCCC[C@H](C)[N@H+]1CCN[C@H](C)CC1 251283600 571816156 /nfs/dbraw/zinc/81/61/56/571816156.db2.gz FJDSPBRAMQFTPC-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@H](C)N1CC[NH2+][C@H](C)CC1 251283600 571816161 /nfs/dbraw/zinc/81/61/61/571816161.db2.gz FJDSPBRAMQFTPC-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@](C)(CN)[N@H+]1CCCC[C@H]1C 251314732 571816211 /nfs/dbraw/zinc/81/62/11/571816211.db2.gz KWSFVNLNVITSLQ-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@H](O)[C@H](CC)[N@H+]1CCC[C@H]1C 251390517 571816364 /nfs/dbraw/zinc/81/63/64/571816364.db2.gz XZYICERLDKTDOE-WOPDTQHZSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[C@H](C)[N@H+](C)[C@H](CC)CNC 251374408 571816383 /nfs/dbraw/zinc/81/63/83/571816383.db2.gz VCOQJBQKPFCKNT-WDEREUQCSA-N 1 1 186.343 2.105 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@H](CC)CNC 251374408 571816384 /nfs/dbraw/zinc/81/63/84/571816384.db2.gz VCOQJBQKPFCKNT-WDEREUQCSA-N 1 1 186.343 2.105 10 0 AEAEMO CCC[C@@](C)(CN)C[N@@H+]1CCC[C@H]1C 251387945 571816430 /nfs/dbraw/zinc/81/64/30/571816430.db2.gz XIFIDSVEYUTYDW-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@](C)(CN)C[N@H+]1CCC[C@H]1C 251387945 571816432 /nfs/dbraw/zinc/81/64/32/571816432.db2.gz XIFIDSVEYUTYDW-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H](C)C[N@H+](C)[C@H](C)CNC1CC1 251669016 571816445 /nfs/dbraw/zinc/81/64/45/571816445.db2.gz CJAAYHZJKOWJAB-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)[C@H](C)CNC1CC1 251669016 571816449 /nfs/dbraw/zinc/81/64/49/571816449.db2.gz CJAAYHZJKOWJAB-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[C@@H](CC)[N@H+]1CCCNCC1 67799497 571816460 /nfs/dbraw/zinc/81/64/60/571816460.db2.gz PEBHDYGRQLZHTE-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO C[C@@H]1CCC[N@H+]1[C@@H]1CCCCCC1=O 37910139 571816473 /nfs/dbraw/zinc/81/64/73/571816473.db2.gz FMXGHQCQPMLWLI-GHMZBOCLSA-N 1 1 195.306 2.373 10 0 AEAEMO CCC[C@H](C)C[N@H+]1C[C@@H](N)CC[C@H]1C 251287355 571816575 /nfs/dbraw/zinc/81/65/75/571816575.db2.gz HAGZFVPZLYLELN-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@@H](CN)[N@H+]1CCCC[C@H]1C 251305611 571816588 /nfs/dbraw/zinc/81/65/88/571816588.db2.gz IFFQDHDKIVIKPY-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@@H](C)[N@H+](C)[C@H](C)CNC1CC1 251390558 571816661 /nfs/dbraw/zinc/81/66/61/571816661.db2.gz YAIRUGRZTGJAPH-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC1CC1 251390558 571816691 /nfs/dbraw/zinc/81/66/91/571816691.db2.gz YAIRUGRZTGJAPH-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO CCCC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C 251382381 571816718 /nfs/dbraw/zinc/81/67/18/571816718.db2.gz WHNWGKLHSDHDCR-GHMZBOCLSA-N 1 1 197.322 2.476 10 0 AEAEMO C[C@H]1CCC[C@@H](C)[N@H+]1CC1(O)CCC1 687802204 571819286 /nfs/dbraw/zinc/81/92/86/571819286.db2.gz TVUJNAVXBOYKAQ-PHIMTYICSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[C@H]1CCC[N@H+]1C[C@@H]1CCCCN1 37914168 571816830 /nfs/dbraw/zinc/81/68/30/571816830.db2.gz CZJMPZXNCLVZJR-RYUDHWBXSA-N 1 1 196.338 2.003 10 0 AEAEMO CCCC[C@H](CC)[N@H+]1CCCNCC1 67799500 571816850 /nfs/dbraw/zinc/81/68/50/571816850.db2.gz PEBHDYGRQLZHTE-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)[C@@H]1CCC[C@H]1N 251459593 571816877 /nfs/dbraw/zinc/81/68/77/571816877.db2.gz YNQNOLKNPANGRI-QJPTWQEYSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[C@H](C)N(C)[C@@H]1CCC[C@H]1[NH3+] 251459593 571816883 /nfs/dbraw/zinc/81/68/83/571816883.db2.gz YNQNOLKNPANGRI-QJPTWQEYSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)C[C@H]1CCCC1=O 251337634 571816915 /nfs/dbraw/zinc/81/69/15/571816915.db2.gz POCYLDKLSXXBGS-WDEREUQCSA-N 1 1 197.322 2.332 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)[C@H](C)[C@@H](C)O 251362024 571817051 /nfs/dbraw/zinc/81/70/51/571817051.db2.gz DKRVFLIEBHYGCJ-HBNTYKKESA-N 1 1 187.327 2.122 10 0 AEAEMO CCCC[C@@H](C)[N@H+]1CCN[C@H](C)CC1 251283604 571817295 /nfs/dbraw/zinc/81/72/95/571817295.db2.gz FJDSPBRAMQFTPC-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@@H](C)N1CC[NH2+][C@H](C)CC1 251283604 571817300 /nfs/dbraw/zinc/81/73/00/571817300.db2.gz FJDSPBRAMQFTPC-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@@H](CN)[N@@H+](C)[C@H](C)CC 251318649 571817336 /nfs/dbraw/zinc/81/73/36/571817336.db2.gz JSVYPVRIIRHXDW-MNOVXSKESA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@H](C)CNC1CC1 251669021 571817418 /nfs/dbraw/zinc/81/74/18/571817418.db2.gz CJAAYHZJKOWJAB-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1C[C@@H]1CCCCN1 37914167 571817425 /nfs/dbraw/zinc/81/74/25/571817425.db2.gz CZJMPZXNCLVZJR-NWDGAFQWSA-N 1 1 196.338 2.003 10 0 AEAEMO CN[C@@H]1CCC[C@@H]1[N@H+](C)[C@H](C)C(C)C 251363595 571817428 /nfs/dbraw/zinc/81/74/28/571817428.db2.gz VWKCSMVZCFUIFE-UTUOFQBUSA-N 1 1 198.354 2.103 10 0 AEAEMO CN[C@@H]1CCC[C@@H]1[N@@H+](C)[C@H](C)C(C)C 251363595 571817431 /nfs/dbraw/zinc/81/74/31/571817431.db2.gz VWKCSMVZCFUIFE-UTUOFQBUSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CCCC[C@H]1CN 251368026 571817443 /nfs/dbraw/zinc/81/74/43/571817443.db2.gz FMQYFEJKTPZIQS-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO C[N@H+]1CC[C@@H](CF)[C@@H]1c1cccnc1 3801821 571817494 /nfs/dbraw/zinc/81/74/94/571817494.db2.gz PLOSIAMCLIOVAZ-GXSJLCMTSA-N 1 1 194.253 2.044 10 0 AEAEMO CCCC[C@H](CN)[N@H+]1CCC[C@H]1CC 251426200 571817514 /nfs/dbraw/zinc/81/75/14/571817514.db2.gz ZNYGJHCWQNAJFF-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@@H](C)[N@H+](C)[C@H](CC)CNC 251374406 571817552 /nfs/dbraw/zinc/81/75/52/571817552.db2.gz VCOQJBQKPFCKNT-GHMZBOCLSA-N 1 1 186.343 2.105 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)[C@H](CC)CNC 251374406 571817555 /nfs/dbraw/zinc/81/75/55/571817555.db2.gz VCOQJBQKPFCKNT-GHMZBOCLSA-N 1 1 186.343 2.105 10 0 AEAEMO CCC[C@H](O)[C@@H](CC)[N@H+]1CCC[C@H]1C 251390514 571817566 /nfs/dbraw/zinc/81/75/66/571817566.db2.gz XZYICERLDKTDOE-UTUOFQBUSA-N 1 1 199.338 2.410 10 0 AEAEMO C[NH2+][C@H](C(F)F)[C@H]1Cc2ccccc21 687802181 571818113 /nfs/dbraw/zinc/81/81/13/571818113.db2.gz CMBVPVHDKUIEAT-UWVGGRQHSA-N 1 1 197.228 2.179 10 0 AEAEMO CC[C@@H](C)[N@H+](CC)[C@H]1CCCCNC1 251726639 571821522 /nfs/dbraw/zinc/82/15/22/571821522.db2.gz FGZJBPUZUQUFLV-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)[C@H]1CCCCNC1 251726639 571821525 /nfs/dbraw/zinc/82/15/25/571821525.db2.gz FGZJBPUZUQUFLV-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO [NH3+][C@H](C(F)F)C1(c2ccccc2)CC1 687802216 571821526 /nfs/dbraw/zinc/82/15/26/571821526.db2.gz IDVQQHQIQNDEDR-SECBINFHSA-N 1 1 197.228 2.311 10 0 AEAEMO CC[C@H](C)[N@H+](CC)[C@H]1CCCCNC1 251726640 571818251 /nfs/dbraw/zinc/81/82/51/571818251.db2.gz FGZJBPUZUQUFLV-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@H]1CCCCNC1 251726640 571818253 /nfs/dbraw/zinc/81/82/53/571818253.db2.gz FGZJBPUZUQUFLV-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@@H]1CCCC[C@@H]1O 37914873 571818310 /nfs/dbraw/zinc/81/83/10/571818310.db2.gz QCRLKUNHKXWQLY-UTUOFQBUSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[C@H]1CCC[N@@H+]1[C@H](C)CNC1CC1 251604032 571818316 /nfs/dbraw/zinc/81/83/16/571818316.db2.gz DGFWNQMHJOOSJM-PWSUYJOCSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H]1CCC[N@H+]1[C@H](C)CNC1CC1 251604032 571818319 /nfs/dbraw/zinc/81/83/19/571818319.db2.gz DGFWNQMHJOOSJM-PWSUYJOCSA-N 1 1 196.338 2.001 10 0 AEAEMO CC(C)CC[N@@H+](C1CC1)[C@H]1CCOC1 687802105 571818725 /nfs/dbraw/zinc/81/87/25/571818725.db2.gz ZABYXHJYPHYMJJ-LBPRGKRZSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)Cc1[nH]cnc1C 687802247 571821645 /nfs/dbraw/zinc/82/16/45/571821645.db2.gz NJADMLWKCKCDCC-SECBINFHSA-N 1 1 195.310 2.196 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)[C@H](C)CC[NH2+]C 251678774 571818811 /nfs/dbraw/zinc/81/88/11/571818811.db2.gz CXYDVUVQLNGTAL-GHMZBOCLSA-N 1 1 186.343 2.105 10 0 AEAEMO CC[C@H](NC)[C@@H](C)[N@@H+]1CCC[C@H]1CC 251763932 571818882 /nfs/dbraw/zinc/81/88/82/571818882.db2.gz MAQGVJDHOQMMPQ-UTUOFQBUSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](NC)[C@@H](C)[N@H+]1CCC[C@H]1CC 251763932 571818887 /nfs/dbraw/zinc/81/88/87/571818887.db2.gz MAQGVJDHOQMMPQ-UTUOFQBUSA-N 1 1 198.354 2.247 10 0 AEAEMO CC(C)C[C@H](CN)[N@H+]1CCC[C@H](C)C1 251591701 571818906 /nfs/dbraw/zinc/81/89/06/571818906.db2.gz BJCFXXVNOHKPRE-NWDGAFQWSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H]1CCC[N@H+]([C@](C)(CC)CN)C1 251780300 571822656 /nfs/dbraw/zinc/82/26/56/571822656.db2.gz MZYWRZGLUZPDBZ-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@H]1C[N@H+]([C@@H](C)C(C)C)CCN1 84877538 571823040 /nfs/dbraw/zinc/82/30/40/571823040.db2.gz KAHHVJRXRJWPAK-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)N(C)CC[N@@H+]1CC[C@H](C)C1 687802458 571824093 /nfs/dbraw/zinc/82/40/93/571824093.db2.gz RDZVPSKTAUHBGM-NWDGAFQWSA-N 1 1 198.354 2.059 10 0 AEAEMO CC(C)C[C@](C)(CN)[N@H+]1CC[C@H](C)C1 251698345 571819237 /nfs/dbraw/zinc/81/92/37/571819237.db2.gz NUSWYEDXFGDXRX-NWDGAFQWSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H]1CCCN1[C@H](C)C[NH2+]C(C)C 251917951 571824228 /nfs/dbraw/zinc/82/42/28/571824228.db2.gz YHBVUQFBTLOWSK-VXGBXAGGSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](NC)[C@H](C)[N@@H+]1CCC[C@H]1CC 251763931 571819297 /nfs/dbraw/zinc/81/92/97/571819297.db2.gz MAQGVJDHOQMMPQ-TUAOUCFPSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](NC)[C@H](C)[N@H+]1CCC[C@H]1CC 251763931 571819299 /nfs/dbraw/zinc/81/92/99/571819299.db2.gz MAQGVJDHOQMMPQ-TUAOUCFPSA-N 1 1 198.354 2.247 10 0 AEAEMO CCN[C@@H](C)C[N@H+](CC)[C@H](C)CC 251532400 571819313 /nfs/dbraw/zinc/81/93/13/571819313.db2.gz AUIYNAIVMQRJBD-WDEREUQCSA-N 1 1 186.343 2.105 10 0 AEAEMO CCN[C@@H](C)C[N@@H+](CC)[C@H](C)CC 251532400 571819314 /nfs/dbraw/zinc/81/93/14/571819314.db2.gz AUIYNAIVMQRJBD-WDEREUQCSA-N 1 1 186.343 2.105 10 0 AEAEMO CC[C@H](C)[N@@H+](C)C[C@](C)(CC)CO 251750312 571819326 /nfs/dbraw/zinc/81/93/26/571819326.db2.gz GXDMDTNSZUGICU-QWRGUYRKSA-N 1 1 187.327 2.125 10 0 AEAEMO CC[C@@H](C[N@@H+]1CCCC[C@H]1CC)NC 251572069 571819523 /nfs/dbraw/zinc/81/95/23/571819523.db2.gz BXTQWBLSBSDPCR-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](C[N@H+]1CCCC[C@H]1CC)NC 251572069 571819528 /nfs/dbraw/zinc/81/95/28/571819528.db2.gz BXTQWBLSBSDPCR-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H]1CCC[N@@H+]([C@H](C)[C@H](C)NC)C1 251734254 571819565 /nfs/dbraw/zinc/81/95/65/571819565.db2.gz KOGYXDNLZKXJIP-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CCC[N@H+]([C@H](C)[C@H](C)NC)C1 251734254 571819566 /nfs/dbraw/zinc/81/95/66/571819566.db2.gz KOGYXDNLZKXJIP-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO C/C=C/CN1C[C@H](CC)[NH2+]CC[C@@H]1C 234204947 571819598 /nfs/dbraw/zinc/81/95/98/571819598.db2.gz SODOUCBNUNORGB-JZYUNNQISA-N 1 1 196.338 2.025 10 0 AEAEMO [NH3+][C@@H](C(F)F)C1(c2ccccc2)CC1 687802217 571819675 /nfs/dbraw/zinc/81/96/75/571819675.db2.gz IDVQQHQIQNDEDR-VIFPVBQESA-N 1 1 197.228 2.311 10 0 AEAEMO CC[C@H](C)C[N@H+](C)[C@@H]1CCC[C@H]1NC 251769872 571819711 /nfs/dbraw/zinc/81/97/11/571819711.db2.gz IGXDJQAHLIPEGR-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@@H]1CCC[C@H]1NC 251769872 571819714 /nfs/dbraw/zinc/81/97/14/571819714.db2.gz IGXDJQAHLIPEGR-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@H](C)CC[NH2+]C 251678777 571819744 /nfs/dbraw/zinc/81/97/44/571819744.db2.gz CXYDVUVQLNGTAL-WDEREUQCSA-N 1 1 186.343 2.105 10 0 AEAEMO C[C@H](C1CC1)[N@@H+](C)C[C@H]1CCCC1=O 251626560 571819963 /nfs/dbraw/zinc/81/99/63/571819963.db2.gz QVHQXNHVYGLKCG-MWLCHTKSSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)Cc1cnc(C)cn1 687802276 571819964 /nfs/dbraw/zinc/81/99/64/571819964.db2.gz LMSPSPRKYNDCAA-SNVBAGLBSA-N 1 1 193.294 2.015 10 0 AEAEMO C[C@H](C1CC1)[N@@H+](C)[C@H](CN)C(C)(C)C 251577855 571820072 /nfs/dbraw/zinc/82/00/72/571820072.db2.gz NJWRQPLDJQLBNG-MWLCHTKSSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@H](C)C[N@H+](C)[C@H]1CCC[C@H]1NC 251769874 571820116 /nfs/dbraw/zinc/82/01/16/571820116.db2.gz IGXDJQAHLIPEGR-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@H]1CCC[C@H]1NC 251769874 571820118 /nfs/dbraw/zinc/82/01/18/571820118.db2.gz IGXDJQAHLIPEGR-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[N@H+](C)C[C@](C)(CC)CN 251783078 571820268 /nfs/dbraw/zinc/82/02/68/571820268.db2.gz JFEPISCWKYXPED-GHMZBOCLSA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)C[C@](C)(CC)CN 251783078 571820271 /nfs/dbraw/zinc/82/02/71/571820271.db2.gz JFEPISCWKYXPED-GHMZBOCLSA-N 1 1 186.343 2.092 10 0 AEAEMO CCCC[C@H](N)C[N@@H+](C)[C@H](C)CC 252433094 571824805 /nfs/dbraw/zinc/82/48/05/571824805.db2.gz HJLDDMZIBSJONC-MNOVXSKESA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[C@H]([NH3+])CN(C)[C@H](C)CC 252433094 571824807 /nfs/dbraw/zinc/82/48/07/571824807.db2.gz HJLDDMZIBSJONC-MNOVXSKESA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@@H]1CCC[N@@H+]([C@@H](C)[C@H](C)NC)C1 251734258 571820451 /nfs/dbraw/zinc/82/04/51/571820451.db2.gz KOGYXDNLZKXJIP-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CCC[N@H+]([C@@H](C)[C@H](C)NC)C1 251734258 571820453 /nfs/dbraw/zinc/82/04/53/571820453.db2.gz KOGYXDNLZKXJIP-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H](C1CC1)[N@@H+](C)C[C@H]1CCCC1=O 251626557 571820630 /nfs/dbraw/zinc/82/06/30/571820630.db2.gz QVHQXNHVYGLKCG-GXSJLCMTSA-N 1 1 195.306 2.086 10 0 AEAEMO CCC[C@H]1C[N@@H+]([C@@H](C)CCC)CCN1 84877494 571820640 /nfs/dbraw/zinc/82/06/40/571820640.db2.gz WSTOGTUSCMWFFT-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1CN([C@@H](C)CCC)CC[NH2+]1 84877494 571820644 /nfs/dbraw/zinc/82/06/44/571820644.db2.gz WSTOGTUSCMWFFT-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)(O)C[N@H+]1CCC[C@@H]1C1CCC1 687802273 571820658 /nfs/dbraw/zinc/82/06/58/571820658.db2.gz LMRXDZJFRDSVKU-LLVKDONJSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H](C)[N@H+](CC)[C@@H](C)[C@H](C)NC 251771518 571820774 /nfs/dbraw/zinc/82/07/74/571820774.db2.gz IKAIKJILPRNFGI-DCAQKATOSA-N 1 1 186.343 2.103 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@@H](C)[C@H](C)NC 251771518 571820778 /nfs/dbraw/zinc/82/07/78/571820778.db2.gz IKAIKJILPRNFGI-DCAQKATOSA-N 1 1 186.343 2.103 10 0 AEAEMO CC[C@H](C)[N@H+](CC)[C@H](C)[C@H](C)NC 251771521 571820852 /nfs/dbraw/zinc/82/08/52/571820852.db2.gz IKAIKJILPRNFGI-GARJFASQSA-N 1 1 186.343 2.103 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@H](C)[C@H](C)NC 251771521 571820854 /nfs/dbraw/zinc/82/08/54/571820854.db2.gz IKAIKJILPRNFGI-GARJFASQSA-N 1 1 186.343 2.103 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@H+]1CCCC[C@H]1CC 251558179 571820872 /nfs/dbraw/zinc/82/08/72/571820872.db2.gz BJTUDVFACAFDMW-TUAOUCFPSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCN[C@H](CCC)C1 84877492 571820973 /nfs/dbraw/zinc/82/09/73/571820973.db2.gz WSTOGTUSCMWFFT-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H](C)N1CC[NH2+][C@H](CCC)C1 84877492 571820975 /nfs/dbraw/zinc/82/09/75/571820975.db2.gz WSTOGTUSCMWFFT-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H]1CCC[N@H+]1CCCC[C@H](C)O 251823484 571821073 /nfs/dbraw/zinc/82/10/73/571821073.db2.gz PKDFAKGZGMIUFU-RYUDHWBXSA-N 1 1 199.338 2.412 10 0 AEAEMO CC(C)(O)C[N@H+]1CCC[C@H]1C1CCC1 687802274 571821538 /nfs/dbraw/zinc/82/15/38/571821538.db2.gz LMRXDZJFRDSVKU-NSHDSACASA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H](C)[N@H+](CC)[C@H](C)[C@@H](C)NC 251771524 571821162 /nfs/dbraw/zinc/82/11/62/571821162.db2.gz IKAIKJILPRNFGI-HBNTYKKESA-N 1 1 186.343 2.103 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@H](C)[C@@H](C)NC 251771524 571821165 /nfs/dbraw/zinc/82/11/65/571821165.db2.gz IKAIKJILPRNFGI-HBNTYKKESA-N 1 1 186.343 2.103 10 0 AEAEMO CC[C@H]1CCC[N@H+]1[C@H](CN)C(C)(C)C 251544156 571821227 /nfs/dbraw/zinc/82/12/27/571821227.db2.gz AVUSEFAXZRAOBS-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CCC[N@@H+]([C@H](C)[C@@H](C)NC)C1 251734253 571821280 /nfs/dbraw/zinc/82/12/80/571821280.db2.gz KOGYXDNLZKXJIP-IJLUTSLNSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CCC[N@H+]([C@H](C)[C@@H](C)NC)C1 251734253 571821284 /nfs/dbraw/zinc/82/12/84/571821284.db2.gz KOGYXDNLZKXJIP-IJLUTSLNSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[NH2+][C@H](C)[C@@H](C)N1CCC[C@H]1CC 251546964 571821356 /nfs/dbraw/zinc/82/13/56/571821356.db2.gz AYMQFIBHMKJTNW-IJLUTSLNSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H]1CCC[N@H+]([C@](C)(CC)CN)C1 251779504 571821438 /nfs/dbraw/zinc/82/14/38/571821438.db2.gz MZYWRZGLUZPDBZ-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H](C)[N@H+]1CCCC[C@H]1CCO 251749179 571821503 /nfs/dbraw/zinc/82/15/03/571821503.db2.gz GUKGZGRQLNUPFW-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@H](CN)C(C)(C)C 251544151 571821799 /nfs/dbraw/zinc/82/17/99/571821799.db2.gz AVUSEFAXZRAOBS-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)[N@@H+](C)Cc1cnc(C)cn1 687802275 571821850 /nfs/dbraw/zinc/82/18/50/571821850.db2.gz LMSPSPRKYNDCAA-JTQLQIEISA-N 1 1 193.294 2.015 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)Cc1[nH]cnc1C 687802248 571822020 /nfs/dbraw/zinc/82/20/20/571822020.db2.gz NJADMLWKCKCDCC-VIFPVBQESA-N 1 1 195.310 2.196 10 0 AEAEMO CC[C@H](C)C[N@H+](C)[C@H]1CCC[C@@H]1NC 251769873 571822094 /nfs/dbraw/zinc/82/20/94/571822094.db2.gz IGXDJQAHLIPEGR-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@H]1CCC[C@@H]1NC 251769873 571822095 /nfs/dbraw/zinc/82/20/95/571822095.db2.gz IGXDJQAHLIPEGR-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@@H+](CC1(O)CCC1)C(C)(C)C 687802235 571822099 /nfs/dbraw/zinc/82/20/99/571822099.db2.gz FTJYYKDLWIMMJB-UHFFFAOYSA-N 1 1 199.338 2.412 10 0 AEAEMO CC(C)C[N@@H+](CCN)C1CCCCC1 76582537 571824218 /nfs/dbraw/zinc/82/42/18/571824218.db2.gz WKAZQHYWYMAQFM-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCCC[C@H]1CCO 251749175 571822477 /nfs/dbraw/zinc/82/24/77/571822477.db2.gz GUKGZGRQLNUPFW-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[C@H]1C[N@H+]([C@@H](C)C(C)C)CCN1 84877541 571822490 /nfs/dbraw/zinc/82/24/90/571822490.db2.gz KAHHVJRXRJWPAK-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H]1CN([C@@H](C)C(C)C)CC[NH2+]1 84877541 571822495 /nfs/dbraw/zinc/82/24/95/571822495.db2.gz KAHHVJRXRJWPAK-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](F)C[N@@H+](C)CCCSC 393335886 571822504 /nfs/dbraw/zinc/82/25/04/571822504.db2.gz DITFJBLFJIYSNZ-SECBINFHSA-N 1 1 193.331 2.419 10 0 AEAEMO CC[C@@H]1CCC[N@@H+]1C[C@](C)(CC)CN 251592892 571822645 /nfs/dbraw/zinc/82/26/45/571822645.db2.gz CTDHLYWDVLKOTH-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H](C)[N@H+](C)C[C@](C)(CC)CN 251783081 571822589 /nfs/dbraw/zinc/82/25/89/571822589.db2.gz JFEPISCWKYXPED-WDEREUQCSA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@H](C)[N@@H+](C)C[C@](C)(CC)CN 251783081 571822592 /nfs/dbraw/zinc/82/25/92/571822592.db2.gz JFEPISCWKYXPED-WDEREUQCSA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1C[C@](C)(CC)CN 251592892 571822648 /nfs/dbraw/zinc/82/26/48/571822648.db2.gz CTDHLYWDVLKOTH-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CCN[C@H](CC)CC1 251693666 571822710 /nfs/dbraw/zinc/82/27/10/571822710.db2.gz INEAQQWAMNDAEP-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](C)CN1CC[NH2+][C@H](CC)CC1 251693666 571822712 /nfs/dbraw/zinc/82/27/12/571822712.db2.gz INEAQQWAMNDAEP-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](O)[C@@H](C)[N@H+]1CCCC[C@H]1CC 251558192 571822797 /nfs/dbraw/zinc/82/27/97/571822797.db2.gz BJTUDVFACAFDMW-UTUOFQBUSA-N 1 1 199.338 2.410 10 0 AEAEMO CCNC[C@@H](CC)[N@@H+]1CCC[C@H]1CC 251583445 571822826 /nfs/dbraw/zinc/82/28/26/571822826.db2.gz CKHDLTKCXNDPHL-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCNC[C@@H](CC)[N@H+]1CCC[C@H]1CC 251583445 571822830 /nfs/dbraw/zinc/82/28/30/571822830.db2.gz CKHDLTKCXNDPHL-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H]1CCC[N@@H+]1[C@H](C)CNC1CC1 251604036 571822916 /nfs/dbraw/zinc/82/29/16/571822916.db2.gz DGFWNQMHJOOSJM-ZYHUDNBSSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@H](C)CNC1CC1 251604036 571822920 /nfs/dbraw/zinc/82/29/20/571822920.db2.gz DGFWNQMHJOOSJM-ZYHUDNBSSA-N 1 1 196.338 2.001 10 0 AEAEMO CCN(CC)CC[N@H+]1CCCC1(C)C 687802400 571823011 /nfs/dbraw/zinc/82/30/11/571823011.db2.gz LQLLAERVFRYATN-UHFFFAOYSA-N 1 1 198.354 2.203 10 0 AEAEMO CCC[C@@H]1CN([C@@H](C)C(C)C)CC[NH2+]1 84877538 571823046 /nfs/dbraw/zinc/82/30/46/571823046.db2.gz KAHHVJRXRJWPAK-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)Cc1[nH]cnc1C 687802432 571823289 /nfs/dbraw/zinc/82/32/89/571823289.db2.gz ZRAZHMLAIBMVAG-SECBINFHSA-N 1 1 195.310 2.339 10 0 AEAEMO CCCC[N@@H+](C1CC1)[C@H]1CCCOC1 687802426 571823407 /nfs/dbraw/zinc/82/34/07/571823407.db2.gz PMOVHWLUNARVMV-LBPRGKRZSA-N 1 1 197.322 2.430 10 0 AEAEMO CC(C)C[N@@H+](C1CC1)[C@H]1CCCOC1 687802519 571823657 /nfs/dbraw/zinc/82/36/57/571823657.db2.gz SSSDAPUSBDARBO-LBPRGKRZSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@H](F)C[N@@H+](C)CCCSC 393335887 571823758 /nfs/dbraw/zinc/82/37/58/571823758.db2.gz DITFJBLFJIYSNZ-VIFPVBQESA-N 1 1 193.331 2.419 10 0 AEAEMO CC[C@H](C)[N@@H+](C)CCN1CC[C@@H](C)C1 687802457 571823775 /nfs/dbraw/zinc/82/37/75/571823775.db2.gz RDZVPSKTAUHBGM-NEPJUHHUSA-N 1 1 198.354 2.059 10 0 AEAEMO CC[C@H](C)N(C)CC[N@@H+]1CC[C@@H](C)C1 687802457 571823780 /nfs/dbraw/zinc/82/37/80/571823780.db2.gz RDZVPSKTAUHBGM-NEPJUHHUSA-N 1 1 198.354 2.059 10 0 AEAEMO CC[C@H](C)N(C)CC[N@H+]1CC[C@@H](C)C1 687802457 571823781 /nfs/dbraw/zinc/82/37/81/571823781.db2.gz RDZVPSKTAUHBGM-NEPJUHHUSA-N 1 1 198.354 2.059 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@H](C)[C@H](O)CC 252018819 571823811 /nfs/dbraw/zinc/82/38/11/571823811.db2.gz XATZXRQDZHNCIZ-HBNTYKKESA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@H]1CCC[N@H+]([C@H](CN)C(C)C)C1 251892887 571823847 /nfs/dbraw/zinc/82/38/47/571823847.db2.gz WEDNFQOBAQABCR-NWDGAFQWSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H]1CCC[N@H+]([C@H](CN)C(C)C)C1 251892888 571824017 /nfs/dbraw/zinc/82/40/17/571824017.db2.gz WEDNFQOBAQABCR-VXGBXAGGSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)CCN1CC[C@H](C)C1 687802458 571824090 /nfs/dbraw/zinc/82/40/90/571824090.db2.gz RDZVPSKTAUHBGM-NWDGAFQWSA-N 1 1 198.354 2.059 10 0 AEAEMO CC[C@H](C)[N@H+](CC)[C@H](CC)CNC 252027655 571824078 /nfs/dbraw/zinc/82/40/78/571824078.db2.gz YPCGBSFOSQTGFE-WDEREUQCSA-N 1 1 186.343 2.105 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@H](CC)CNC 252027655 571824083 /nfs/dbraw/zinc/82/40/83/571824083.db2.gz YPCGBSFOSQTGFE-WDEREUQCSA-N 1 1 186.343 2.105 10 0 AEAEMO CC[C@@H](C)N(C)CC[N@H+]1CC[C@H](C)C1 687802458 571824098 /nfs/dbraw/zinc/82/40/98/571824098.db2.gz RDZVPSKTAUHBGM-NWDGAFQWSA-N 1 1 198.354 2.059 10 0 AEAEMO CCCC[C@@H](N)C[N@@H+](C)[C@H](C)CC 252433093 571824288 /nfs/dbraw/zinc/82/42/88/571824288.db2.gz HJLDDMZIBSJONC-GHMZBOCLSA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[C@@H]([NH3+])CN(C)[C@H](C)CC 252433093 571824290 /nfs/dbraw/zinc/82/42/90/571824290.db2.gz HJLDDMZIBSJONC-GHMZBOCLSA-N 1 1 186.343 2.234 10 0 AEAEMO CC(C)C[N@@H+](C1CC1)[C@@H]1CCCOC1 687802518 571824533 /nfs/dbraw/zinc/82/45/33/571824533.db2.gz SSSDAPUSBDARBO-GFCCVEGCSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@H](O)[C@@H](C)[N@H+](CC)[C@H](C)CC 251953574 571824547 /nfs/dbraw/zinc/82/45/47/571824547.db2.gz UTXVKXVWFFQTNK-MXWKQRLJSA-N 1 1 187.327 2.266 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@H](CN)C(C)(C)C 251943043 571824626 /nfs/dbraw/zinc/82/46/26/571824626.db2.gz SSOXJSKZFHORTI-VHSXEESVSA-N 1 1 186.343 2.090 10 0 AEAEMO CCN(CC)CC[N@H+]1CCCC[C@H]1C 687802498 571824864 /nfs/dbraw/zinc/82/48/64/571824864.db2.gz FQMDUQVCUBIYJG-GFCCVEGCSA-N 1 1 198.354 2.203 10 0 AEAEMO CC[NH+](CC)CCN1CCCC[C@H]1C 687802498 571824866 /nfs/dbraw/zinc/82/48/66/571824866.db2.gz FQMDUQVCUBIYJG-GFCCVEGCSA-N 1 1 198.354 2.203 10 0 AEAEMO C[C@H](O)CCC[N@H+]1CC[C@H](C)C[C@H]1C 252109893 571824955 /nfs/dbraw/zinc/82/49/55/571824955.db2.gz HPUNNELRIDBSGB-TUAOUCFPSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[NH2+]C[C@@H]1CCCN1C[C@H](C)CC 251950806 571824984 /nfs/dbraw/zinc/82/49/84/571824984.db2.gz UKMCDPSRYBOMOQ-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[N@@H+](CCN)C1CCCCCC1 76582544 571824939 /nfs/dbraw/zinc/82/49/39/571824939.db2.gz MRIQXQALACDBKX-UHFFFAOYSA-N 1 1 198.354 2.380 10 0 AEAEMO CC[C@H](O)[C@@H](C)[N@H+]1CCC[C@H]1CC 251856798 571825104 /nfs/dbraw/zinc/82/51/04/571825104.db2.gz SIVJWWMFKIXMSC-MXWKQRLJSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)CCN1CC[C@@H](C)C1 687802460 571825139 /nfs/dbraw/zinc/82/51/39/571825139.db2.gz RDZVPSKTAUHBGM-VXGBXAGGSA-N 1 1 198.354 2.059 10 0 AEAEMO CC[C@@H](C)N(C)CC[N@@H+]1CC[C@@H](C)C1 687802460 571825140 /nfs/dbraw/zinc/82/51/40/571825140.db2.gz RDZVPSKTAUHBGM-VXGBXAGGSA-N 1 1 198.354 2.059 10 0 AEAEMO CC[C@@H](C)N(C)CC[N@H+]1CC[C@@H](C)C1 687802460 571825144 /nfs/dbraw/zinc/82/51/44/571825144.db2.gz RDZVPSKTAUHBGM-VXGBXAGGSA-N 1 1 198.354 2.059 10 0 AEAEMO CC[C@H](C)[N@H+](C)[C@H]1CCCC[C@H]1NC 252025025 571825242 /nfs/dbraw/zinc/82/52/42/571825242.db2.gz YBQUDQNEEGUQPX-TUAOUCFPSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@H]1CCCC[C@H]1NC 252025025 571825244 /nfs/dbraw/zinc/82/52/44/571825244.db2.gz YBQUDQNEEGUQPX-TUAOUCFPSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)C[C@H]1CCC[C@H]1O 251895956 571825283 /nfs/dbraw/zinc/82/52/83/571825283.db2.gz PJEMBUXFLVHUHL-QJPTWQEYSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](C)[N@@H+](C)CCCC[C@H](C)O 251929711 571825347 /nfs/dbraw/zinc/82/53/47/571825347.db2.gz RCHKKRIYVVLWCZ-QWRGUYRKSA-N 1 1 187.327 2.268 10 0 AEAEMO CC(C)[N@@H+](C1CCC1)[C@H]1CCCOC1 687802521 571825393 /nfs/dbraw/zinc/82/53/93/571825393.db2.gz XBWPXAMBCAAFHZ-LBPRGKRZSA-N 1 1 197.322 2.428 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)CCCC[C@H](C)O 251929710 571825493 /nfs/dbraw/zinc/82/54/93/571825493.db2.gz RCHKKRIYVVLWCZ-MNOVXSKESA-N 1 1 187.327 2.268 10 0 AEAEMO C[C@H](O)CCC[N@H+]1CC[C@H](C)C[C@@H]1C 252109892 571825500 /nfs/dbraw/zinc/82/55/00/571825500.db2.gz HPUNNELRIDBSGB-SRVKXCTJSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)CC[NH2+][C@@H]1CCCN(C)CC1 76637693 571825861 /nfs/dbraw/zinc/82/58/61/571825861.db2.gz XYUYLNSDVLNFIH-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)[N@@H+](C1CCC1)[C@@H]1CCCOC1 687802520 571826074 /nfs/dbraw/zinc/82/60/74/571826074.db2.gz XBWPXAMBCAAFHZ-GFCCVEGCSA-N 1 1 197.322 2.428 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1[C@](C)(CC)CN 251883892 571826084 /nfs/dbraw/zinc/82/60/84/571826084.db2.gz VLJUAPKQCIORKA-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@H]1CCC[N@H+]1[C@](C)(CN)C(C)C 251876372 571826102 /nfs/dbraw/zinc/82/61/02/571826102.db2.gz UVIBTGDVVVFEMK-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)[N@H+](CC)[C@H](C)CNC1CC1 252029641 571826131 /nfs/dbraw/zinc/82/61/31/571826131.db2.gz ZAOCQBVWWVDMRJ-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)[C@H](C)CNC1CC1 252029641 571826134 /nfs/dbraw/zinc/82/61/34/571826134.db2.gz ZAOCQBVWWVDMRJ-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H](C)C[N@@H+]1CCCC[C@H]1CNC 251846453 571826193 /nfs/dbraw/zinc/82/61/93/571826193.db2.gz MFYQOPKRPIPUCJ-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CCCC[C@H]1CNC 251846453 571826196 /nfs/dbraw/zinc/82/61/96/571826196.db2.gz MFYQOPKRPIPUCJ-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@H+]1CCC[C@H]1CC 251856794 571826388 /nfs/dbraw/zinc/82/63/88/571826388.db2.gz SIVJWWMFKIXMSC-AXFHLTTASA-N 1 1 185.311 2.020 10 0 AEAEMO CCN(CC)CC[N@H+]1CCCC[C@@H]1C 687802499 571826242 /nfs/dbraw/zinc/82/62/42/571826242.db2.gz FQMDUQVCUBIYJG-LBPRGKRZSA-N 1 1 198.354 2.203 10 0 AEAEMO CC[NH+](CC)CCN1CCCC[C@@H]1C 687802499 571826245 /nfs/dbraw/zinc/82/62/45/571826245.db2.gz FQMDUQVCUBIYJG-LBPRGKRZSA-N 1 1 198.354 2.203 10 0 AEAEMO CCCC[N@@H+](C1CC1)[C@@H]1CCCOC1 687802425 571826273 /nfs/dbraw/zinc/82/62/73/571826273.db2.gz PMOVHWLUNARVMV-GFCCVEGCSA-N 1 1 197.322 2.430 10 0 AEAEMO CC[C@H](C)[N@H+](CC)[C@H](C)CNC1CC1 252029642 571826394 /nfs/dbraw/zinc/82/63/94/571826394.db2.gz ZAOCQBVWWVDMRJ-WDEREUQCSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@H](C)CNC1CC1 252029642 571826396 /nfs/dbraw/zinc/82/63/96/571826396.db2.gz ZAOCQBVWWVDMRJ-WDEREUQCSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[NH2+][C@@H](CC)CN1CCC[C@H]1CC 251908942 571826435 /nfs/dbraw/zinc/82/64/35/571826435.db2.gz XNRPNAACUJAQKQ-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)CC[NH2+][C@H]1CCCN(C)CC1 76637696 571826491 /nfs/dbraw/zinc/82/64/91/571826491.db2.gz XYUYLNSDVLNFIH-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@H](CNC)C(C)C 251917874 571826526 /nfs/dbraw/zinc/82/65/26/571826526.db2.gz YGQWNEIZYRXNEL-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CCCN1[C@H](C[NH2+]C)C(C)C 251917874 571826529 /nfs/dbraw/zinc/82/65/29/571826529.db2.gz YGQWNEIZYRXNEL-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[N@H+](C)[C@H]1CCCC[C@@H]1NC 252025023 571826558 /nfs/dbraw/zinc/82/65/58/571826558.db2.gz YBQUDQNEEGUQPX-SRVKXCTJSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@H]1CCCC[C@@H]1NC 252025023 571826559 /nfs/dbraw/zinc/82/65/59/571826559.db2.gz YBQUDQNEEGUQPX-SRVKXCTJSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)Cc1[nH]cnc1C 687802433 571826677 /nfs/dbraw/zinc/82/66/77/571826677.db2.gz ZRAZHMLAIBMVAG-VIFPVBQESA-N 1 1 195.310 2.339 10 0 AEAEMO CC[C@H](C)[N@@H+](C)CCN1CC[C@H](C)C1 687802459 571826789 /nfs/dbraw/zinc/82/67/89/571826789.db2.gz RDZVPSKTAUHBGM-RYUDHWBXSA-N 1 1 198.354 2.059 10 0 AEAEMO CC[C@H](C)N(C)CC[N@@H+]1CC[C@H](C)C1 687802459 571826792 /nfs/dbraw/zinc/82/67/92/571826792.db2.gz RDZVPSKTAUHBGM-RYUDHWBXSA-N 1 1 198.354 2.059 10 0 AEAEMO CC[C@H](C)N(C)CC[N@H+]1CC[C@H](C)C1 687802459 571826795 /nfs/dbraw/zinc/82/67/95/571826795.db2.gz RDZVPSKTAUHBGM-RYUDHWBXSA-N 1 1 198.354 2.059 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)C[C@H]1CCCC1=O 251859436 571826799 /nfs/dbraw/zinc/82/67/99/571826799.db2.gz OETCCJVWZIQPFD-GHMZBOCLSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)C[C@H]1CCCC1=O 251965444 571827969 /nfs/dbraw/zinc/82/79/69/571827969.db2.gz WBXJKIDAHYOTOS-WDEREUQCSA-N 1 1 197.322 2.334 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1[C@H](CN)C(C)C 251903508 571826825 /nfs/dbraw/zinc/82/68/25/571826825.db2.gz XBFAZEPZLGVZSD-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1C[C@](C)(CC)CO 251889572 571826833 /nfs/dbraw/zinc/82/68/33/571826833.db2.gz VXHJUTVNXZHLHZ-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@H]1CCCC[N@@H+]1[C@@H](C)[C@H](C)NC 251867856 571826835 /nfs/dbraw/zinc/82/68/35/571826835.db2.gz UEERZDMMTWKEFU-SDDRHHMPSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1[C@@H](C)[C@H](C)NC 251867856 571826836 /nfs/dbraw/zinc/82/68/36/571826836.db2.gz UEERZDMMTWKEFU-SDDRHHMPSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H]1CCCN1[C@H](C)C[NH2+]C(C)C 251917950 571826882 /nfs/dbraw/zinc/82/68/82/571826882.db2.gz YHBVUQFBTLOWSK-NEPJUHHUSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](C)[N@@H+](C)C[C@H]1CCCCC1=O 251857541 571826891 /nfs/dbraw/zinc/82/68/91/571826891.db2.gz NYJZWCHGPBJWEL-WDEREUQCSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@@H]1CCCC[N@@H+]1[C@H](C)[C@H](C)NC 251867854 571826902 /nfs/dbraw/zinc/82/69/02/571826902.db2.gz UEERZDMMTWKEFU-QJPTWQEYSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1[C@H](C)[C@H](C)NC 251867854 571826904 /nfs/dbraw/zinc/82/69/04/571826904.db2.gz UEERZDMMTWKEFU-QJPTWQEYSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](C)[C@@H](C)[N@H+]1CCCC[C@H]1CN 251897130 571826947 /nfs/dbraw/zinc/82/69/47/571826947.db2.gz PLRGWMLPRHVYMR-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)C[C@H]1CCCC1=O 251917033 571827132 /nfs/dbraw/zinc/82/71/32/571827132.db2.gz PTAWGIVKAWKFNF-NXEZZACHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@H](CN)C1CCCC1 251931413 571827139 /nfs/dbraw/zinc/82/71/39/571827139.db2.gz RIABIUVAMHXRCR-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1[C@H](CN)C(C)C 251903510 571827095 /nfs/dbraw/zinc/82/70/95/571827095.db2.gz XBFAZEPZLGVZSD-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]1CCC[N@H+]1[C@H](CNC)C(C)C 251917873 571827282 /nfs/dbraw/zinc/82/72/82/571827282.db2.gz YGQWNEIZYRXNEL-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CCCN1[C@H](C[NH2+]C)C(C)C 251917873 571827284 /nfs/dbraw/zinc/82/72/84/571827284.db2.gz YGQWNEIZYRXNEL-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)[C@H](CN)C(C)(C)C 251943040 571827333 /nfs/dbraw/zinc/82/73/33/571827333.db2.gz SSOXJSKZFHORTI-NXEZZACHSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@H](C)[N@H+]1C[C@@](C)(CC)NC[C@@H]1C 84882341 571827351 /nfs/dbraw/zinc/82/73/51/571827351.db2.gz OAOODVBOIPJMBX-GRYCIOLGSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)[C@H](CN)C1CCCC1 251931415 571827418 /nfs/dbraw/zinc/82/74/18/571827418.db2.gz RIABIUVAMHXRCR-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)C[C@H]1CCCCC1=O 251857538 571827436 /nfs/dbraw/zinc/82/74/36/571827436.db2.gz NYJZWCHGPBJWEL-GHMZBOCLSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@H](C)[N@@H+](C)C[C@H]1CCCC1=O 251917035 571827443 /nfs/dbraw/zinc/82/74/43/571827443.db2.gz PTAWGIVKAWKFNF-VHSXEESVSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@@H]1CCCC[N@@H+]1[C@H](C)[C@@H](C)NC 251867852 571827617 /nfs/dbraw/zinc/82/76/17/571827617.db2.gz UEERZDMMTWKEFU-IJLUTSLNSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1[C@H](C)[C@@H](C)NC 251867852 571827619 /nfs/dbraw/zinc/82/76/19/571827619.db2.gz UEERZDMMTWKEFU-IJLUTSLNSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@H](C)[C@@H](O)CC 252018817 571827683 /nfs/dbraw/zinc/82/76/83/571827683.db2.gz XATZXRQDZHNCIZ-AXFHLTTASA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@](C)(CN)C(C)C 251930290 571827747 /nfs/dbraw/zinc/82/77/47/571827747.db2.gz RELAGIMEYSFNPE-WDEREUQCSA-N 1 1 186.343 2.090 10 0 AEAEMO CC(C)CC[C@H](C)[N@H+]1CCNC[C@@H]1C 84882316 571827759 /nfs/dbraw/zinc/82/77/59/571827759.db2.gz UCLUZIPCLJFDBY-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)C[C@H]1CCC[C@@H]1O 251895961 571827760 /nfs/dbraw/zinc/82/77/60/571827760.db2.gz PJEMBUXFLVHUHL-TUAOUCFPSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)CC[C@H](C)N1CC[NH2+]C[C@@H]1C 84882316 571827761 /nfs/dbraw/zinc/82/77/61/571827761.db2.gz UCLUZIPCLJFDBY-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@H](O)CCCC[N@H+]1CCC[C@H](C)C1 252098621 571827769 /nfs/dbraw/zinc/82/77/69/571827769.db2.gz FWMRPJPGSWXRNC-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)CC[C@H](C)[N@H+]1CCNC[C@H]1C 84882314 571827781 /nfs/dbraw/zinc/82/77/81/571827781.db2.gz UCLUZIPCLJFDBY-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)CC[C@H](C)N1CC[NH2+]C[C@H]1C 84882314 571827782 /nfs/dbraw/zinc/82/77/82/571827782.db2.gz UCLUZIPCLJFDBY-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)C[C@H]1CCCC1=O 251965443 571827730 /nfs/dbraw/zinc/82/77/30/571827730.db2.gz WBXJKIDAHYOTOS-GHMZBOCLSA-N 1 1 197.322 2.334 10 0 AEAEMO CC[C@@H](C)[N@H+](CC)[C@H](CC)CNC 252027652 571827836 /nfs/dbraw/zinc/82/78/36/571827836.db2.gz YPCGBSFOSQTGFE-GHMZBOCLSA-N 1 1 186.343 2.105 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)[C@H](CC)CNC 252027652 571827839 /nfs/dbraw/zinc/82/78/39/571827839.db2.gz YPCGBSFOSQTGFE-GHMZBOCLSA-N 1 1 186.343 2.105 10 0 AEAEMO CC[C@H](C)C[N@@H+]1CCCC[C@H]1CNC 251846454 571827901 /nfs/dbraw/zinc/82/79/01/571827901.db2.gz MFYQOPKRPIPUCJ-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCCC[C@H]1CNC 251846454 571827902 /nfs/dbraw/zinc/82/79/02/571827902.db2.gz MFYQOPKRPIPUCJ-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@H+]1CCCC[C@H]1CN 251897126 571827952 /nfs/dbraw/zinc/82/79/52/571827952.db2.gz PLRGWMLPRHVYMR-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)[C@@H](N)C[N@H+]1CCCC[C@H]1C 251952298 571828332 /nfs/dbraw/zinc/82/83/32/571828332.db2.gz UPHAKGNVTOTRGH-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)[C@@H]([NH3+])CN1CCCC[C@H]1C 251952298 571828334 /nfs/dbraw/zinc/82/83/34/571828334.db2.gz UPHAKGNVTOTRGH-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC[C@H]1CCCO 251934278 571828196 /nfs/dbraw/zinc/82/81/96/571828196.db2.gz RQYBMSPOCSNZPR-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO C[C@H](O)CCCC[N@H+]1CCC[C@H]1C 252110588 571828256 /nfs/dbraw/zinc/82/82/56/571828256.db2.gz HSKFQSJFVDWBCW-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@@H]1C[N@H+]([C@H](C)CC)[C@H](CC)CN1 251847922 571828323 /nfs/dbraw/zinc/82/83/23/571828323.db2.gz RMBXTVSRDIWYKI-IJLUTSLNSA-N 1 1 198.354 2.247 10 0 AEAEMO CCCC[C@H](N)C[N@H+]1CCC[C@H]1CC 252414419 571829273 /nfs/dbraw/zinc/82/92/73/571829273.db2.gz HRJLMOJTTCAZBA-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@H](C)[N@H+](C)[C@H](CC)CNC1CC1 251917788 571828428 /nfs/dbraw/zinc/82/84/28/571828428.db2.gz PVBCIBFKYACYJF-CMPLNLGQSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@H](CC)CNC1CC1 251917788 571828431 /nfs/dbraw/zinc/82/84/31/571828431.db2.gz PVBCIBFKYACYJF-CMPLNLGQSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H](C)[N@H+](C)[C@H](CC)CNC1CC1 251917792 571828558 /nfs/dbraw/zinc/82/85/58/571828558.db2.gz PVBCIBFKYACYJF-ZYHUDNBSSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)[C@H](CC)CNC1CC1 251917792 571828561 /nfs/dbraw/zinc/82/85/61/571828561.db2.gz PVBCIBFKYACYJF-ZYHUDNBSSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)C[C@H]1CCCC1=O 251859438 571828588 /nfs/dbraw/zinc/82/85/88/571828588.db2.gz OETCCJVWZIQPFD-WDEREUQCSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@H](C)[N@H+](C)[C@@H]1CCCC[C@H]1NC 252025021 571828662 /nfs/dbraw/zinc/82/86/62/571828662.db2.gz YBQUDQNEEGUQPX-QJPTWQEYSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@H]1CCCC[C@H]1NC 252025021 571828666 /nfs/dbraw/zinc/82/86/66/571828666.db2.gz YBQUDQNEEGUQPX-QJPTWQEYSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H]1CCC[N@@H+]([C@H](CC)CNC)C1 251869272 571828682 /nfs/dbraw/zinc/82/86/82/571828682.db2.gz UGPBNZYXWMKKBR-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H]1CCC[N@H+]([C@H](CC)CNC)C1 251869272 571828685 /nfs/dbraw/zinc/82/86/85/571828685.db2.gz UGPBNZYXWMKKBR-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)C[N@@H+](C1CC1)[C@H]1CCC[C@H]1O 252430409 571829087 /nfs/dbraw/zinc/82/90/87/571829087.db2.gz NLHDVGAWAXDYAK-NWDGAFQWSA-N 1 1 197.322 2.020 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)[C@](C)(CN)C1CC1 252412456 571829256 /nfs/dbraw/zinc/82/92/56/571829256.db2.gz OAOWTZAEZBCHIF-CMPLNLGQSA-N 1 1 198.354 2.090 10 0 AEAEMO CCCC[C@H](N)C[N@@H+]1CCC[C@H]1CC 252414419 571829268 /nfs/dbraw/zinc/82/92/68/571829268.db2.gz HRJLMOJTTCAZBA-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@@H](CN)[N@H+]1CCC[C@H]1C 252414172 571829302 /nfs/dbraw/zinc/82/93/02/571829302.db2.gz HIYQODNVVVLYSV-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@H]([NH3+])CN(C)C[C@H](C)CC 252392121 571829510 /nfs/dbraw/zinc/82/95/10/571829510.db2.gz SYEPQGLQYLHEAM-MNOVXSKESA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)[C@H]1CCCCC1=O 252426079 571829448 /nfs/dbraw/zinc/82/94/48/571829448.db2.gz RYSFYLXQWJPCIB-MNOVXSKESA-N 1 1 197.322 2.476 10 0 AEAEMO CCC[C@H](N)C[N@@H+](C)C[C@H](C)CC 252392121 571829505 /nfs/dbraw/zinc/82/95/05/571829505.db2.gz SYEPQGLQYLHEAM-MNOVXSKESA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@H](N)[C@H](CC)[N@H+]1CCC[C@H]1C 252418745 571829521 /nfs/dbraw/zinc/82/95/21/571829521.db2.gz WVGMXAVFPZXNBD-WOPDTQHZSA-N 1 1 198.354 2.377 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@H]1CCCC1=O 252424269 571829773 /nfs/dbraw/zinc/82/97/73/571829773.db2.gz GFJHAZHZMJEDNP-UWVGGRQHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@@](C)(CN)[N@@H+](C)[C@H](C)C(C)C 252417478 571829797 /nfs/dbraw/zinc/82/97/97/571829797.db2.gz UNEIQTMWOZFURB-MNOVXSKESA-N 1 1 186.343 2.090 10 0 AEAEMO CCCCC[C@H](CN)[N@H+]1CCC[C@H]1C 252414173 571829884 /nfs/dbraw/zinc/82/98/84/571829884.db2.gz HIYQODNVVVLYSV-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@H]1CCC[N@H+](C[C@H](C)NC)CC1 251760036 571829991 /nfs/dbraw/zinc/82/99/91/571829991.db2.gz LWOXEMRTRPRHKF-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H]1CCC[N@@H+](C[C@H](C)NC)CC1 251760036 571829995 /nfs/dbraw/zinc/82/99/95/571829995.db2.gz LWOXEMRTRPRHKF-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@](C)(CN)[N@H+]1CCC[C@H]1CC 252418401 571830059 /nfs/dbraw/zinc/83/00/59/571830059.db2.gz VWAIYDTZVXELIP-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@H]1CCCC[C@@H]1N 252405200 571830090 /nfs/dbraw/zinc/83/00/90/571830090.db2.gz DRSVGFILLKQRTQ-SRVKXCTJSA-N 1 1 198.354 2.377 10 0 AEAEMO CC[C@H](C)[N@H+](CC)[C@H]1CCC[C@H]1NC 251759141 571830141 /nfs/dbraw/zinc/83/01/41/571830141.db2.gz HNGUKYSGESALPV-TUAOUCFPSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@H]1CCC[C@H]1NC 251759141 571830142 /nfs/dbraw/zinc/83/01/42/571830142.db2.gz HNGUKYSGESALPV-TUAOUCFPSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@@H](N)C[N@@H+](C)C[C@H](C)CC 252392119 571830183 /nfs/dbraw/zinc/83/01/83/571830183.db2.gz SYEPQGLQYLHEAM-GHMZBOCLSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@@H]([NH3+])CN(C)C[C@H](C)CC 252392119 571830186 /nfs/dbraw/zinc/83/01/86/571830186.db2.gz SYEPQGLQYLHEAM-GHMZBOCLSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@H](CN)C(C)C 252419026 571830279 /nfs/dbraw/zinc/83/02/79/571830279.db2.gz WAWWWHCEKMPTFG-WDEREUQCSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[C@H]([NH3+])CN(C)[C@H](C)C(C)C 252393299 571830643 /nfs/dbraw/zinc/83/06/43/571830643.db2.gz YWZDBHSDBQYFQF-MNOVXSKESA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@H]1CCC[N@H+](C[C@H](C)NC)CC1 251760034 571830660 /nfs/dbraw/zinc/83/06/60/571830660.db2.gz LWOXEMRTRPRHKF-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H]1CCC[N@@H+](C[C@H](C)NC)CC1 251760034 571830661 /nfs/dbraw/zinc/83/06/61/571830661.db2.gz LWOXEMRTRPRHKF-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@](C)(CC)CN 252403485 571830679 /nfs/dbraw/zinc/83/06/79/571830679.db2.gz BMOZUVGLLJOPSA-WDEREUQCSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC(CC)[C@@H](CN)[N@H+]1CCC[C@H]1C 252418392 571830697 /nfs/dbraw/zinc/83/06/97/571830697.db2.gz VTWNJTQROHYVHV-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@H](C)[C@@H](N)CC 252416086 571830727 /nfs/dbraw/zinc/83/07/27/571830727.db2.gz SCQBDZOPGVYYPC-AXFHLTTASA-N 1 1 186.343 2.233 10 0 AEAEMO CCC[C@H](C)N(C)[C@H](C)[C@@H]([NH3+])CC 252416086 571830730 /nfs/dbraw/zinc/83/07/30/571830730.db2.gz SCQBDZOPGVYYPC-AXFHLTTASA-N 1 1 186.343 2.233 10 0 AEAEMO CCC[C@@H](CN)[N@@H+](C)[C@H](C)C(C)C 252416138 571830812 /nfs/dbraw/zinc/83/08/12/571830812.db2.gz SKBXYUYYOSIVIA-MNOVXSKESA-N 1 1 186.343 2.090 10 0 AEAEMO CCCC[N@@H+](CC)[C@H]1CCC[C@H]1O 252390276 571830819 /nfs/dbraw/zinc/83/08/19/571830819.db2.gz MUHBKGVOVRBSTC-WDEREUQCSA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@H]1CCCCC1=O 252426080 571830838 /nfs/dbraw/zinc/83/08/38/571830838.db2.gz RYSFYLXQWJPCIB-QWRGUYRKSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)[C@](C)(CC)CN 252403483 571830913 /nfs/dbraw/zinc/83/09/13/571830913.db2.gz BMOZUVGLLJOPSA-GHMZBOCLSA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C 252387972 571831024 /nfs/dbraw/zinc/83/10/24/571831024.db2.gz BXVYEIYXLMYTRA-IJLUTSLNSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](N)C[NH2+]CCCCC(C)C 78450668 571831093 /nfs/dbraw/zinc/83/10/93/571831093.db2.gz OVCGREGVJBMWBC-LLVKDONJSA-N 1 1 186.343 2.140 10 0 AEAEMO CCC[C@H](N)C[N@@H+](C)[C@H](C)CCC 252391299 571831124 /nfs/dbraw/zinc/83/11/24/571831124.db2.gz QNLNFOZNDOWERR-MNOVXSKESA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@H]([NH3+])CN(C)[C@H](C)CCC 252391299 571831128 /nfs/dbraw/zinc/83/11/28/571831128.db2.gz QNLNFOZNDOWERR-MNOVXSKESA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@H](N)[C@@H](CC)[N@H+]1CCC[C@H]1C 252418744 571831209 /nfs/dbraw/zinc/83/12/09/571831209.db2.gz WVGMXAVFPZXNBD-GRYCIOLGSA-N 1 1 198.354 2.377 10 0 AEAEMO CCC[C@@H]([NH3+])CN(C)[C@H](C)C(C)C 252393298 571831169 /nfs/dbraw/zinc/83/11/69/571831169.db2.gz YWZDBHSDBQYFQF-GHMZBOCLSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@](C)(CN)[N@@H+](C)[C@H](C)C(C)C 252417477 571831295 /nfs/dbraw/zinc/83/12/95/571831295.db2.gz UNEIQTMWOZFURB-GHMZBOCLSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[C@H]([NH3+])CN(CC)[C@H](C)CC 252393248 571832059 /nfs/dbraw/zinc/83/20/59/571832059.db2.gz YHJQAPLZOVYLSU-MNOVXSKESA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@H](N)C[NH2+]CCCCC(C)C 78450666 571831476 /nfs/dbraw/zinc/83/14/76/571831476.db2.gz OVCGREGVJBMWBC-NSHDSACASA-N 1 1 186.343 2.140 10 0 AEAEMO CC[C@H](C)[C@H]([NH3+])CN(C)[C@H](C)C1CC1 252410488 571831558 /nfs/dbraw/zinc/83/15/58/571831558.db2.gz LSENVORMHNUFGU-HOSYDEDBSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@H](C)[C@H](N)CC 252416087 571831577 /nfs/dbraw/zinc/83/15/77/571831577.db2.gz SCQBDZOPGVYYPC-HBNTYKKESA-N 1 1 186.343 2.233 10 0 AEAEMO CCC[C@H](C)N(C)[C@H](C)[C@H]([NH3+])CC 252416087 571831580 /nfs/dbraw/zinc/83/15/80/571831580.db2.gz SCQBDZOPGVYYPC-HBNTYKKESA-N 1 1 186.343 2.233 10 0 AEAEMO CCC(CC)[C@H](CN)[N@H+]1CCC[C@H]1C 252418391 571831678 /nfs/dbraw/zinc/83/16/78/571831678.db2.gz VTWNJTQROHYVHV-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)[C@H](C)C(C)=O 252426768 571832076 /nfs/dbraw/zinc/83/20/76/571832076.db2.gz WCLIXXLYRUTQHF-RKDXNWHRSA-N 1 1 171.284 2.084 10 0 AEAEMO CC(C)C[C@](C)(CN)[N@H+]1CCC[C@H]1C 252186787 571831790 /nfs/dbraw/zinc/83/17/90/571831790.db2.gz QYJNIVQQAHDBIN-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](N)[C@H](C)[N@@H+](C)[C@H](C)C(C)C 252409916 571831800 /nfs/dbraw/zinc/83/18/00/571831800.db2.gz KZIMIPNRPNGASP-VWYCJHECSA-N 1 1 186.343 2.089 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@H]1CCCC1=O 252424217 571833208 /nfs/dbraw/zinc/83/32/08/571833208.db2.gz FYAHPZWGHUMOFP-UWVGGRQHSA-N 1 1 183.295 2.228 10 0 AEAEMO C[NH2+][C@H](C)CC[N@H+]1CC[C@H](C)C[C@@H]1C 252207711 571831890 /nfs/dbraw/zinc/83/18/90/571831890.db2.gz VMAQMPUSJXMZDT-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)[C@H]1CCCC1=O 252424218 571831918 /nfs/dbraw/zinc/83/19/18/571831918.db2.gz FYAHPZWGHUMOFP-ZJUUUORDSA-N 1 1 183.295 2.228 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)[C@](C)(CN)C1CC1 252411957 571831931 /nfs/dbraw/zinc/83/19/31/571831931.db2.gz NKVDVFIKJZJWNJ-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)[C@H](CN)C(C)C 252419023 571831992 /nfs/dbraw/zinc/83/19/92/571831992.db2.gz WAWWWHCEKMPTFG-GHMZBOCLSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C)[N@H+](CC)[C@H]1CCC[C@@H]1NC 251759137 571831999 /nfs/dbraw/zinc/83/19/99/571831999.db2.gz HNGUKYSGESALPV-SRVKXCTJSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@H]1CCC[C@@H]1NC 251759137 571832002 /nfs/dbraw/zinc/83/20/02/571832002.db2.gz HNGUKYSGESALPV-SRVKXCTJSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@](C)(CN)C1CC1 252411956 571832112 /nfs/dbraw/zinc/83/21/12/571832112.db2.gz NKVDVFIKJZJWNJ-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)[C@H](C)C(C)=O 252424959 571832124 /nfs/dbraw/zinc/83/21/24/571832124.db2.gz KLYUKBCGBGOJOT-RKDXNWHRSA-N 1 1 171.284 2.084 10 0 AEAEMO CCC(CC)[N@H+]1C[C@H](C)NC[C@@H]1CC 84882197 571832262 /nfs/dbraw/zinc/83/22/62/571832262.db2.gz JZSCSAZBOLDBPG-JQWIXIFHSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@H]([NH3+])CN1CCCC[C@H]1CC 252389058 571832288 /nfs/dbraw/zinc/83/22/88/571832288.db2.gz GRQPMEMRQWWKIU-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@H](N)C[N@@H+]1CCC[C@H]1CC 252414420 571832310 /nfs/dbraw/zinc/83/23/10/571832310.db2.gz HRJLMOJTTCAZBA-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@H](N)C[N@H+]1CCC[C@H]1CC 252414420 571832313 /nfs/dbraw/zinc/83/23/13/571832313.db2.gz HRJLMOJTTCAZBA-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@H]([NH3+])CN1[C@H](C)CCC[C@H]1C 252388740 571833237 /nfs/dbraw/zinc/83/32/37/571833237.db2.gz GADHVOSHMWSYFN-UTUOFQBUSA-N 1 1 198.354 2.377 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)[C@H]1CCCC1=O 252424295 571832440 /nfs/dbraw/zinc/83/24/40/571832440.db2.gz GJWRIDQIIVNKAJ-ZJUUUORDSA-N 1 1 183.295 2.228 10 0 AEAEMO CC[C@H](C)[C@@H]([NH3+])CN(C)[C@H](C)C1CC1 252410489 571833429 /nfs/dbraw/zinc/83/34/29/571833429.db2.gz LSENVORMHNUFGU-UMNHJUIQSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC(CC)[N@H+]1C[C@@H](C)NC[C@@H]1CC 84882193 571832525 /nfs/dbraw/zinc/83/25/25/571832525.db2.gz JZSCSAZBOLDBPG-PWSUYJOCSA-N 1 1 198.354 2.247 10 0 AEAEMO C[C@H](O)CCCC[N@H+]1CCCC[C@H]1C 252196654 571832606 /nfs/dbraw/zinc/83/26/06/571832606.db2.gz SMHKNXNRWARPFB-NEPJUHHUSA-N 1 1 199.338 2.412 10 0 AEAEMO CCCC[N@@H+](C)[C@H]1CCCC[C@H]1O 252390672 571832616 /nfs/dbraw/zinc/83/26/16/571832616.db2.gz JYWMEVKKTYPYQV-WDEREUQCSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@H]1CCCC[C@H]1N 252405199 571832663 /nfs/dbraw/zinc/83/26/63/571832663.db2.gz DRSVGFILLKQRTQ-QJPTWQEYSA-N 1 1 198.354 2.377 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@H]1CCCC[C@H]1N 252405201 571832725 /nfs/dbraw/zinc/83/27/25/571832725.db2.gz DRSVGFILLKQRTQ-TUAOUCFPSA-N 1 1 198.354 2.377 10 0 AEAEMO CCC[C@@](C)(N)C[N@@H+]1CCC[C@H]1CC 252417627 571832796 /nfs/dbraw/zinc/83/27/96/571832796.db2.gz SGFMMNUKXAJILA-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@@](C)(N)C[N@H+]1CCC[C@H]1CC 252417627 571832798 /nfs/dbraw/zinc/83/27/98/571832798.db2.gz SGFMMNUKXAJILA-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)[C@H]1CCCC1=O 252424270 571832801 /nfs/dbraw/zinc/83/28/01/571832801.db2.gz GFJHAZHZMJEDNP-ZJUUUORDSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)[C@H]1CCC[C@H]1O 252430269 571832863 /nfs/dbraw/zinc/83/28/63/571832863.db2.gz FIIBKOKDFZCPIZ-SDDRHHMPSA-N 1 1 199.338 2.266 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@H]1CCCC1=O 252424294 571832935 /nfs/dbraw/zinc/83/29/35/571832935.db2.gz GJWRIDQIIVNKAJ-UWVGGRQHSA-N 1 1 183.295 2.228 10 0 AEAEMO CCC[C@@H]([NH3+])CN1CCCC[C@H]1CC 252389059 571833009 /nfs/dbraw/zinc/83/30/09/571833009.db2.gz GRQPMEMRQWWKIU-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@H](C)C(C)=O 252424958 571833155 /nfs/dbraw/zinc/83/31/55/571833155.db2.gz KLYUKBCGBGOJOT-DTWKUNHWSA-N 1 1 171.284 2.084 10 0 AEAEMO CC[C@H](N)[C@@H](C)[N@@H+](C)[C@H](C)C(C)C 252409914 571833189 /nfs/dbraw/zinc/83/31/89/571833189.db2.gz KZIMIPNRPNGASP-MXWKQRLJSA-N 1 1 186.343 2.089 10 0 AEAEMO CCC[C@@](C)(CN)[N@H+]1CCC[C@H]1CC 252418400 571833337 /nfs/dbraw/zinc/83/33/37/571833337.db2.gz VWAIYDTZVXELIP-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC(CC)[N@H+]1C[C@H](C)NC[C@H]1CC 84882195 571833471 /nfs/dbraw/zinc/83/34/71/571833471.db2.gz JZSCSAZBOLDBPG-CMPLNLGQSA-N 1 1 198.354 2.247 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)[C@](C)(CN)C1CC1 252412458 571833597 /nfs/dbraw/zinc/83/35/97/571833597.db2.gz OAOWTZAEZBCHIF-ZYHUDNBSSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@H](C)[N@H+](CC)[C@@H]1CCC[C@H]1NC 251759133 571833605 /nfs/dbraw/zinc/83/36/05/571833605.db2.gz HNGUKYSGESALPV-QJPTWQEYSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@@H]1CCC[C@H]1NC 251759133 571833609 /nfs/dbraw/zinc/83/36/09/571833609.db2.gz HNGUKYSGESALPV-QJPTWQEYSA-N 1 1 198.354 2.247 10 0 AEAEMO CNC[C@H](C(C)C)[N@H+]1CCCC[C@H]1C 252199724 571833642 /nfs/dbraw/zinc/83/36/42/571833642.db2.gz TUHSXGXDZJZEAZ-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@](C)(N)C[N@@H+]1CCC[C@H]1CC 252417626 571833696 /nfs/dbraw/zinc/83/36/96/571833696.db2.gz SGFMMNUKXAJILA-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@](C)(N)C[N@H+]1CCC[C@H]1CC 252417626 571833699 /nfs/dbraw/zinc/83/36/99/571833699.db2.gz SGFMMNUKXAJILA-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CC(C)C[N@@H+](C(C)C)[C@H]1CCC[C@H]1O 252430488 571833741 /nfs/dbraw/zinc/83/37/41/571833741.db2.gz UGRGIMWFRPQOQE-NWDGAFQWSA-N 1 1 199.338 2.266 10 0 AEAEMO CCCC[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C 252387970 571833813 /nfs/dbraw/zinc/83/38/13/571833813.db2.gz BXVYEIYXLMYTRA-GRYCIOLGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@@H+](CC)[C@H](CN)[C@H](C)CC 252436761 571835710 /nfs/dbraw/zinc/83/57/10/571835710.db2.gz RHXQFYVIGARBRM-GHMZBOCLSA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCNC[C@H]1CC(C)C 252476133 571834050 /nfs/dbraw/zinc/83/40/50/571834050.db2.gz GMTMEDAJIBNMOE-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@H]1CCCC[C@H]1O 252438792 571836045 /nfs/dbraw/zinc/83/60/45/571836045.db2.gz GMGAQIJYQDTXEK-SDDRHHMPSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[C@H](CN)[N@@H+](C)C[C@H](C)CC 252436040 571834107 /nfs/dbraw/zinc/83/41/07/571834107.db2.gz MVXWSYKYHKDZFP-GHMZBOCLSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@H](CN)[N@@H+](CC)[C@H](C)CC 252434733 571834124 /nfs/dbraw/zinc/83/41/24/571834124.db2.gz GIQCGKAIXDMRRX-GHMZBOCLSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@H]1CCCCC[N@@H+]1C[C@H](C)NC 252846633 571834132 /nfs/dbraw/zinc/83/41/32/571834132.db2.gz GYDQXZRBRVOFGQ-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H]1CCCCC[N@H+]1C[C@H](C)NC 252846633 571834134 /nfs/dbraw/zinc/83/41/34/571834134.db2.gz GYDQXZRBRVOFGQ-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@@H]1CCCC[C@H]1N 252436253 571834156 /nfs/dbraw/zinc/83/41/56/571834156.db2.gz NXYKHRMESYXNIV-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@](C)(N)C[N@@H+](C)[C@H](C)CC 252433277 571834186 /nfs/dbraw/zinc/83/41/86/571834186.db2.gz KBKQOMMQNDBQIX-MNOVXSKESA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@](C)([NH3+])CN(C)[C@H](C)CC 252433277 571834188 /nfs/dbraw/zinc/83/41/88/571834188.db2.gz KBKQOMMQNDBQIX-MNOVXSKESA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[N@@H+](CC)[C@@H](CN)[C@H](C)CC 252436762 571834194 /nfs/dbraw/zinc/83/41/94/571834194.db2.gz RHXQFYVIGARBRM-MNOVXSKESA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@H](CN)[N@H+]1CCCC[C@H]1CC 252436491 571834216 /nfs/dbraw/zinc/83/42/16/571834216.db2.gz PHNYAUQOXGOUFV-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@@H](C)[N@H+](C)[C@H](CN)c1ccco1 252435340 571834230 /nfs/dbraw/zinc/83/42/30/571834230.db2.gz JIVWPXSBICNAAO-NXEZZACHSA-N 1 1 196.294 2.010 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)[C@H](CN)c1ccco1 252435340 571834233 /nfs/dbraw/zinc/83/42/33/571834233.db2.gz JIVWPXSBICNAAO-NXEZZACHSA-N 1 1 196.294 2.010 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@H]1CCC[C@H]1O 252439887 571834251 /nfs/dbraw/zinc/83/42/51/571834251.db2.gz UKGIAIIRWRJRHN-GARJFASQSA-N 1 1 185.311 2.020 10 0 AEAEMO CCC[C@@H](CN)[N@@H+](CC)[C@H](C)CC 252434734 571834408 /nfs/dbraw/zinc/83/44/08/571834408.db2.gz GIQCGKAIXDMRRX-MNOVXSKESA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[N@H+](C1CC1)[C@@H](CN)[C@H](C)CC 252437758 571834441 /nfs/dbraw/zinc/83/44/41/571834441.db2.gz XKQLWHYRTMAHSG-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+](CC)C[C@H](N)[C@H](C)CC 252435739 571834449 /nfs/dbraw/zinc/83/44/49/571834449.db2.gz LALOUTZORRZYFV-MNOVXSKESA-N 1 1 186.343 2.092 10 0 AEAEMO CCCN(CC)C[C@H]([NH3+])[C@H](C)CC 252435739 571834451 /nfs/dbraw/zinc/83/44/51/571834451.db2.gz LALOUTZORRZYFV-MNOVXSKESA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@H](C)[N@H+](CC)C[C@H]1CCCCN1 252435269 571834483 /nfs/dbraw/zinc/83/44/83/571834483.db2.gz JAWUWKMMYMNPBM-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)C[C@H]1CCCCN1 252435269 571834486 /nfs/dbraw/zinc/83/44/86/571834486.db2.gz JAWUWKMMYMNPBM-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@](C)(CN)C1CC1 252454947 571834492 /nfs/dbraw/zinc/83/44/92/571834492.db2.gz LVDZBOVAUYVJAL-CMPLNLGQSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCCC[N@@H+](C)[C@@H]1CCCC[C@H]1N 252435793 571834546 /nfs/dbraw/zinc/83/45/46/571834546.db2.gz LIJNCCNADWAPNT-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCN(C)[C@@H]1CCCC[C@H]1[NH3+] 252435793 571834547 /nfs/dbraw/zinc/83/45/47/571834547.db2.gz LIJNCCNADWAPNT-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@](C)(N)C[N@@H+](C)[C@H](C)C1CC1 252434546 571834553 /nfs/dbraw/zinc/83/45/53/571834553.db2.gz ZOZAAIYMVLUDGT-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@](C)([NH3+])CN(C)[C@H](C)C1CC1 252434546 571834556 /nfs/dbraw/zinc/83/45/56/571834556.db2.gz ZOZAAIYMVLUDGT-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@@H]([NH3+])CN1CCCC[C@H]1C 252433258 571834569 /nfs/dbraw/zinc/83/45/69/571834569.db2.gz JKSMJTGYZSLEPD-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@H](N)C[N@@H+]1CCCC[C@H]1C 252433258 571834573 /nfs/dbraw/zinc/83/45/73/571834573.db2.gz JKSMJTGYZSLEPD-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@H](N)C[N@H+]1CCCC[C@H]1C 252433258 571834575 /nfs/dbraw/zinc/83/45/75/571834575.db2.gz JKSMJTGYZSLEPD-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@H](N)[C@@H](C)[N@H+]1CCCC[C@H]1CC 252435773 571834625 /nfs/dbraw/zinc/83/46/25/571834625.db2.gz LGGNEOYEAUKPDR-UTUOFQBUSA-N 1 1 198.354 2.377 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@H]1CCCC[C@@H]1N 252436310 571834724 /nfs/dbraw/zinc/83/47/24/571834724.db2.gz OICGBGVJYVALNM-SRVKXCTJSA-N 1 1 198.354 2.377 10 0 AEAEMO CCCCC[N@@H+](C)[C@H]1CCCC[C@H]1N 252435792 571834736 /nfs/dbraw/zinc/83/47/36/571834736.db2.gz LIJNCCNADWAPNT-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCN(C)[C@H]1CCCC[C@H]1[NH3+] 252435792 571834737 /nfs/dbraw/zinc/83/47/37/571834737.db2.gz LIJNCCNADWAPNT-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@](C)(CN)C1CC1 252454813 571834885 /nfs/dbraw/zinc/83/48/85/571834885.db2.gz KCFNBAKXDLJAQO-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCC[N@@H+](C)[C@H]1CCCC[C@H]1O 252439299 571834961 /nfs/dbraw/zinc/83/49/61/571834961.db2.gz MTEZQSXMVFTYEP-NWDGAFQWSA-N 1 1 199.338 2.412 10 0 AEAEMO CCCC[N@@H+](C1CC1)[C@H]1CCC[C@H]1O 252456721 571834974 /nfs/dbraw/zinc/83/49/74/571834974.db2.gz RSSYWAQAOXAFJQ-NWDGAFQWSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[C@@H](N)[C@@H](C)[N@H+]1[C@@H](C)CCC[C@H]1C 687803205 571835029 /nfs/dbraw/zinc/83/50/29/571835029.db2.gz XJUYHSFXHMPGJN-WRWGMCAJSA-N 1 1 198.354 2.375 10 0 AEAEMO CC[C@@H](N)[C@H](C)[N@H+]1[C@@H](C)CCC[C@H]1C 687803204 571835104 /nfs/dbraw/zinc/83/51/04/571835104.db2.gz XJUYHSFXHMPGJN-WHOHXGKFSA-N 1 1 198.354 2.375 10 0 AEAEMO Cc1cc2c([nH+]c1C)CCCN2 38192357 571835120 /nfs/dbraw/zinc/83/51/20/571835120.db2.gz JRZUQBSXSSZHGT-UHFFFAOYSA-N 1 1 162.236 2.057 10 0 AEAEMO CCC[N@@H+](CC)[C@@H]1C[C@H](C)CC[C@H]1N 252435484 571835213 /nfs/dbraw/zinc/83/52/13/571835213.db2.gz KCAQLOMJQZSCJC-IJLUTSLNSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)[C@](C)(CN)C1CC1 252454814 571835318 /nfs/dbraw/zinc/83/53/18/571835318.db2.gz KCFNBAKXDLJAQO-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)[C@H](CN)[N@H+]1CCCC[C@H]1C 252436922 571837820 /nfs/dbraw/zinc/83/78/20/571837820.db2.gz SFAOYHRYDPXQSO-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@H](N)C[N@@H+](C)[C@H](C)C1CC1 252434250 571835489 /nfs/dbraw/zinc/83/54/89/571835489.db2.gz WUKKGQSZVHQIQH-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@H]([NH3+])CN(C)[C@H](C)C1CC1 252434250 571835491 /nfs/dbraw/zinc/83/54/91/571835491.db2.gz WUKKGQSZVHQIQH-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO Cc1ccc2[nH+]c3n(c2c1)CCCN3 5285960 571835510 /nfs/dbraw/zinc/83/55/10/571835510.db2.gz DSMANEHLVTYTDF-UHFFFAOYSA-N 1 1 187.246 2.160 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@H]1CCCC[C@@H]1N 252436254 571835677 /nfs/dbraw/zinc/83/56/77/571835677.db2.gz NXYKHRMESYXNIV-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@H+](C1CC1)[C@H](CN)[C@H](C)CC 252437759 571835706 /nfs/dbraw/zinc/83/57/06/571835706.db2.gz XKQLWHYRTMAHSG-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)C[C@H](CC)[N@H+]1CC[C@@H](N)C1 257363385 571835696 /nfs/dbraw/zinc/83/56/96/571835696.db2.gz WZGOCWUFJPJGGL-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H](CN)[N@@H+](C)C[C@H](C)CC 252436041 571835757 /nfs/dbraw/zinc/83/57/57/571835757.db2.gz MVXWSYKYHKDZFP-MNOVXSKESA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@H]1CCC[C@H]1O 252440091 571835848 /nfs/dbraw/zinc/83/58/48/571835848.db2.gz WTZWXFRBRUOEDL-GARJFASQSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@H]1CCCC[C@H]1N 252436255 571835881 /nfs/dbraw/zinc/83/58/81/571835881.db2.gz NXYKHRMESYXNIV-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@](C)(N)C[N@@H+](C)[C@H](C)C1CC1 252434547 571835890 /nfs/dbraw/zinc/83/58/90/571835890.db2.gz ZOZAAIYMVLUDGT-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@](C)([NH3+])CN(C)[C@H](C)C1CC1 252434547 571835893 /nfs/dbraw/zinc/83/58/93/571835893.db2.gz ZOZAAIYMVLUDGT-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]1CCCCC[N@@H+]1[C@H](C)CNC 252848762 571835939 /nfs/dbraw/zinc/83/59/39/571835939.db2.gz IAFJNHPJCVPYRX-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H]1CCCCC[N@H+]1[C@H](C)CNC 252848762 571835941 /nfs/dbraw/zinc/83/59/41/571835941.db2.gz IAFJNHPJCVPYRX-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H]1CCCCC[N@@H+]1C[C@H](C)NC 252846632 571835953 /nfs/dbraw/zinc/83/59/53/571835953.db2.gz GYDQXZRBRVOFGQ-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H]1CCCCC[N@H+]1C[C@H](C)NC 252846632 571835955 /nfs/dbraw/zinc/83/59/55/571835955.db2.gz GYDQXZRBRVOFGQ-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCC[N@H+]1C[C@H](C)NC[C@H]1CC 252466174 571836100 /nfs/dbraw/zinc/83/61/00/571836100.db2.gz WSFOAHXCFMSAOJ-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCCN1C[C@H](C)[NH2+]C[C@H]1CC 252466174 571836103 /nfs/dbraw/zinc/83/61/03/571836103.db2.gz WSFOAHXCFMSAOJ-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@H]1CCC[C@H]1O 252439641 571836228 /nfs/dbraw/zinc/83/62/28/571836228.db2.gz QZTKTMNRLLNPFT-WDEREUQCSA-N 1 1 185.311 2.020 10 0 AEAEMO CCC[C@@](C)(CN)[N@@H+](C)[C@H](C)CC 252436483 571836252 /nfs/dbraw/zinc/83/62/52/571836252.db2.gz PHJHTXFPZLFXIU-MNOVXSKESA-N 1 1 186.343 2.234 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@H]1CCCC[C@H]1O 252439021 571836288 /nfs/dbraw/zinc/83/62/88/571836288.db2.gz JVJIOFKWTZRFTM-NWDGAFQWSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[N@@H+](CC)C[C@@H](N)[C@H](C)CC 252435738 571836355 /nfs/dbraw/zinc/83/63/55/571836355.db2.gz LALOUTZORRZYFV-GHMZBOCLSA-N 1 1 186.343 2.092 10 0 AEAEMO CCCN(CC)C[C@@H]([NH3+])[C@H](C)CC 252435738 571836358 /nfs/dbraw/zinc/83/63/58/571836358.db2.gz LALOUTZORRZYFV-GHMZBOCLSA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@H]1CCCC[C@H]1O 252438393 571836445 /nfs/dbraw/zinc/83/64/45/571836445.db2.gz AVYCDUZPPCMDTF-SDDRHHMPSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@H]1CCCC[C@H]1O 252439557 571836460 /nfs/dbraw/zinc/83/64/60/571836460.db2.gz QBWLMBYSLCXKFQ-NWDGAFQWSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[C@@H]1CCCCC[N@@H+]1[C@H](C)CNC 252848764 571836514 /nfs/dbraw/zinc/83/65/14/571836514.db2.gz IAFJNHPJCVPYRX-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H]1CCCCC[N@H+]1[C@H](C)CNC 252848764 571836518 /nfs/dbraw/zinc/83/65/18/571836518.db2.gz IAFJNHPJCVPYRX-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@H]1CCCC[C@H]1N 252436311 571836531 /nfs/dbraw/zinc/83/65/31/571836531.db2.gz OICGBGVJYVALNM-TUAOUCFPSA-N 1 1 198.354 2.377 10 0 AEAEMO CCCC[C@H]([NH3+])CN1CCCC[C@H]1C 252433257 571836575 /nfs/dbraw/zinc/83/65/75/571836575.db2.gz JKSMJTGYZSLEPD-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@H](N)C[N@@H+]1CCCC[C@H]1C 252433257 571836579 /nfs/dbraw/zinc/83/65/79/571836579.db2.gz JKSMJTGYZSLEPD-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@H](N)C[N@H+]1CCCC[C@H]1C 252433257 571836584 /nfs/dbraw/zinc/83/65/84/571836584.db2.gz JKSMJTGYZSLEPD-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[N@@H+](C)[C@@H]1C[C@@H](CC)CC[C@H]1N 252434455 571836642 /nfs/dbraw/zinc/83/66/42/571836642.db2.gz FPQMXRCZBFSMDD-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCN(C)[C@@H]1C[C@@H](CC)CC[C@H]1[NH3+] 252434455 571836645 /nfs/dbraw/zinc/83/66/45/571836645.db2.gz FPQMXRCZBFSMDD-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCc1cc(OC)cc[nH+]1 38220267 571836648 /nfs/dbraw/zinc/83/66/48/571836648.db2.gz LTKAOENGCYHWPW-UHFFFAOYSA-N 1 1 151.209 2.043 10 0 AEAEMO CC[C@@H](C)[N@H+](CC)C[C@H]1CCCCN1 252435270 571837874 /nfs/dbraw/zinc/83/78/74/571837874.db2.gz JAWUWKMMYMNPBM-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@](C)(CN)[N@@H+](C)[C@H](C)CC 252436482 571836747 /nfs/dbraw/zinc/83/67/47/571836747.db2.gz PHJHTXFPZLFXIU-GHMZBOCLSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@H](CN)C(C)C 252435281 571836809 /nfs/dbraw/zinc/83/68/09/571836809.db2.gz JBVCCXLWSSWBFM-WDEREUQCSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)C[C@H]1CCCCN1 252435270 571837877 /nfs/dbraw/zinc/83/78/77/571837877.db2.gz JAWUWKMMYMNPBM-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCN(C[C@H]([NH3+])[C@H](C)CC)C1CC1 252435088 571836866 /nfs/dbraw/zinc/83/68/66/571836866.db2.gz HWPDRVGNNVSIQY-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@H+](C[C@H](N)[C@H](C)CC)C1CC1 252435088 571836871 /nfs/dbraw/zinc/83/68/71/571836871.db2.gz HWPDRVGNNVSIQY-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+](C[C@H](N)[C@H](C)CC)C1CC1 252435088 571836877 /nfs/dbraw/zinc/83/68/77/571836877.db2.gz HWPDRVGNNVSIQY-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)[N@H+](C)[C@H](CN)c1ccco1 252435341 571837885 /nfs/dbraw/zinc/83/78/85/571837885.db2.gz JIVWPXSBICNAAO-VHSXEESVSA-N 1 1 196.294 2.010 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@H](CN)c1ccco1 252435341 571837888 /nfs/dbraw/zinc/83/78/88/571837888.db2.gz JIVWPXSBICNAAO-VHSXEESVSA-N 1 1 196.294 2.010 10 0 AEAEMO CCCC[C@@H](N)C[N@@H+](C)[C@H](C)C1CC1 252434251 571837110 /nfs/dbraw/zinc/83/71/10/571837110.db2.gz WUKKGQSZVHQIQH-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@@H]([NH3+])CN(C)[C@H](C)C1CC1 252434251 571837112 /nfs/dbraw/zinc/83/71/12/571837112.db2.gz WUKKGQSZVHQIQH-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)[N@H+]1CCNC[C@H]1CC(C)C 252476132 571837277 /nfs/dbraw/zinc/83/72/77/571837277.db2.gz GMTMEDAJIBNMOE-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@@H+](C)[C@@H]1C[C@H](CC)CC[C@H]1N 252434454 571837282 /nfs/dbraw/zinc/83/72/82/571837282.db2.gz FPQMXRCZBFSMDD-IJLUTSLNSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCN(C)[C@@H]1C[C@H](CC)CC[C@H]1[NH3+] 252434454 571837289 /nfs/dbraw/zinc/83/72/89/571837289.db2.gz FPQMXRCZBFSMDD-IJLUTSLNSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[N@@H+](C)[C@@H](CN)[C@H](C)CC 252436733 571837329 /nfs/dbraw/zinc/83/73/29/571837329.db2.gz RBAQFSBRTJFAOU-MNOVXSKESA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@H](C)[C@@H](N)CC 252436853 571837351 /nfs/dbraw/zinc/83/73/51/571837351.db2.gz RVAGRIXUGZQKME-AXFHLTTASA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C)CN(C)[C@H](C)[C@@H]([NH3+])CC 252436853 571837353 /nfs/dbraw/zinc/83/73/53/571837353.db2.gz RVAGRIXUGZQKME-AXFHLTTASA-N 1 1 186.343 2.090 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@H]1CCCC[C@H]1O 252438507 571837359 /nfs/dbraw/zinc/83/73/59/571837359.db2.gz CGWYSWZEWORILT-NWDGAFQWSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[C@H](C)[C@@H](N)C[N@@H+](C)[C@H](C)CC 252436298 571837409 /nfs/dbraw/zinc/83/74/09/571837409.db2.gz OFGXJWIPEOLCIT-AXFHLTTASA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C)[C@@H]([NH3+])CN(C)[C@H](C)CC 252436298 571837411 /nfs/dbraw/zinc/83/74/11/571837411.db2.gz OFGXJWIPEOLCIT-AXFHLTTASA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C)[NH2+][C@H](C)[C@H]1CCCN(C)C1 252433357 571837495 /nfs/dbraw/zinc/83/74/95/571837495.db2.gz CDGSTEROBHFMSW-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@@H](CN)[N@H+]1CCCC[C@H]1C 252436921 571837523 /nfs/dbraw/zinc/83/75/23/571837523.db2.gz SFAOYHRYDPXQSO-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)[C@H](CN)[N@@H+](C)[C@H](C)CC 252437747 571837616 /nfs/dbraw/zinc/83/76/16/571837616.db2.gz XJGAIXUFOVQGMW-AXFHLTTASA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@H]1CCCC[C@H]1O 252439451 571837636 /nfs/dbraw/zinc/83/76/36/571837636.db2.gz OVOWLXFUUMVZTO-SDDRHHMPSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[N@@H+](C1CC1)[C@H]1CCCC[C@H]1O 252439338 571837672 /nfs/dbraw/zinc/83/76/72/571837672.db2.gz NHLNXUXNWLGJIZ-NWDGAFQWSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)[C@H](CN)C(C)C 252435280 571837717 /nfs/dbraw/zinc/83/77/17/571837717.db2.gz JBVCCXLWSSWBFM-GHMZBOCLSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)[C@](C)(CN)C1CC1 252454948 571837722 /nfs/dbraw/zinc/83/77/22/571837722.db2.gz LVDZBOVAUYVJAL-ZYHUDNBSSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@H]1CCC[C@H]1O 252439147 571837917 /nfs/dbraw/zinc/83/79/17/571837917.db2.gz LCQBPTGDLGVDSC-WDEREUQCSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@H](N)[C@@H](C)[N@H+](CC)[C@H](C)CC 252435642 571837936 /nfs/dbraw/zinc/83/79/36/571837936.db2.gz KJPDGTQMFAREBD-MXWKQRLJSA-N 1 1 186.343 2.233 10 0 AEAEMO CC[C@H](C)[C@@H](CN)[N@@H+](C)[C@H](C)CC 252437748 571837958 /nfs/dbraw/zinc/83/79/58/571837958.db2.gz XJGAIXUFOVQGMW-HBNTYKKESA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@](C)(CC)CN 252436703 571838273 /nfs/dbraw/zinc/83/82/73/571838273.db2.gz QRWGVZNXYGWYNV-WDEREUQCSA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@H](C)[C@H](N)C[N@@H+](C)[C@H](C)CC 252436299 571838153 /nfs/dbraw/zinc/83/81/53/571838153.db2.gz OFGXJWIPEOLCIT-HBNTYKKESA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C)[C@H]([NH3+])CN(C)[C@H](C)CC 252436299 571838157 /nfs/dbraw/zinc/83/81/57/571838157.db2.gz OFGXJWIPEOLCIT-HBNTYKKESA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[C@@H](CN)[N@H+]1CCCC[C@H]1CC 252436490 571838163 /nfs/dbraw/zinc/83/81/63/571838163.db2.gz PHNYAUQOXGOUFV-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[N@H+]1C[C@@H](C)NC[C@H]1CC 252466175 571838336 /nfs/dbraw/zinc/83/83/36/571838336.db2.gz WSFOAHXCFMSAOJ-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCCN1C[C@@H](C)[NH2+]C[C@H]1CC 252466175 571838339 /nfs/dbraw/zinc/83/83/39/571838339.db2.gz WSFOAHXCFMSAOJ-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@H](C)[C@H](N)CC 252436854 571838351 /nfs/dbraw/zinc/83/83/51/571838351.db2.gz RVAGRIXUGZQKME-HBNTYKKESA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C)CN(C)[C@H](C)[C@H]([NH3+])CC 252436854 571838355 /nfs/dbraw/zinc/83/83/55/571838355.db2.gz RVAGRIXUGZQKME-HBNTYKKESA-N 1 1 186.343 2.090 10 0 AEAEMO CCCC[N@@H+](C)[C@H](CN)[C@H](C)CC 252436732 571838386 /nfs/dbraw/zinc/83/83/86/571838386.db2.gz RBAQFSBRTJFAOU-GHMZBOCLSA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)[C@](C)(CC)CN 252436702 571838408 /nfs/dbraw/zinc/83/84/08/571838408.db2.gz QRWGVZNXYGWYNV-GHMZBOCLSA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@H](N)[C@H](C)[N@H+]1CCCC[C@H]1CC 252435772 571838418 /nfs/dbraw/zinc/83/84/18/571838418.db2.gz LGGNEOYEAUKPDR-TUAOUCFPSA-N 1 1 198.354 2.377 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@@H]1CCCC[C@H]1N 252436309 571838427 /nfs/dbraw/zinc/83/84/27/571838427.db2.gz OICGBGVJYVALNM-QJPTWQEYSA-N 1 1 198.354 2.377 10 0 AEAEMO CCC[N@@H+](CC)[C@@H]1C[C@@H](C)CC[C@H]1N 252435485 571838468 /nfs/dbraw/zinc/83/84/68/571838468.db2.gz KCAQLOMJQZSCJC-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@](C)(CC)CN 252437750 571838548 /nfs/dbraw/zinc/83/85/48/571838548.db2.gz XJKVUTXBGHBEMW-WDEREUQCSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)[C@](C)(CC)CN 252437749 571838590 /nfs/dbraw/zinc/83/85/90/571838590.db2.gz XJKVUTXBGHBEMW-GHMZBOCLSA-N 1 1 186.343 2.234 10 0 AEAEMO CO[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 143705446 571841812 /nfs/dbraw/zinc/84/18/12/571841812.db2.gz DRSRFXPHURGKCZ-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO c1c[nH+]c(N2C[C@H]3CCCCC[C@H]32)[nH]1 687842237 571842249 /nfs/dbraw/zinc/84/22/49/571842249.db2.gz BAHMJWSHFCKBMS-NXEZZACHSA-N 1 1 191.278 2.179 10 0 AEAEMO C/C=C/C[N@H+]1C[C@@H](CC)NCC1(C)C 233914334 571842532 /nfs/dbraw/zinc/84/25/32/571842532.db2.gz FSDBMQAVMMFHAC-OKPNEXGHSA-N 1 1 196.338 2.025 10 0 AEAEMO C/C=C/C[N@@H+]1C[C@@H](CC)NCC1(C)C 233914334 571842534 /nfs/dbraw/zinc/84/25/34/571842534.db2.gz FSDBMQAVMMFHAC-OKPNEXGHSA-N 1 1 196.338 2.025 10 0 AEAEMO CC(C)(C)NC1=CC(=[NH2+])OC1(C)C 5644907 571843226 /nfs/dbraw/zinc/84/32/26/571843226.db2.gz LXYFOUXHLDPEGY-UHFFFAOYSA-N 1 1 182.267 2.044 10 0 AEAEMO C[N@H+]1CCC[C@H](c2ccccc2)C1 5699364 571843470 /nfs/dbraw/zinc/84/34/70/571843470.db2.gz AVIAGAGHRPKXCE-LBPRGKRZSA-N 1 1 175.275 2.496 10 0 AEAEMO CN(CCC(C)(C)C)[C@@H]1CCC[C@@H]1[NH3+] 259068752 571844228 /nfs/dbraw/zinc/84/42/28/571844228.db2.gz QNTWZLLVUNWQHY-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CCCCC[N@H+]1C1(CN)CC1 233909958 571845250 /nfs/dbraw/zinc/84/52/50/571845250.db2.gz CTYGCPYFYJAVKX-LLVKDONJSA-N 1 1 196.338 2.132 10 0 AEAEMO CC[C@@H]1CN[C@@H](C)C[N@H+]1CC=C(C)C 233913407 571845418 /nfs/dbraw/zinc/84/54/18/571845418.db2.gz KTKFBCYWQPJCRB-NWDGAFQWSA-N 1 1 196.338 2.025 10 0 AEAEMO CC[C@@H]1CN[C@@H](C)C[N@@H+]1CC=C(C)C 233913407 571845416 /nfs/dbraw/zinc/84/54/16/571845416.db2.gz KTKFBCYWQPJCRB-NWDGAFQWSA-N 1 1 196.338 2.025 10 0 AEAEMO CC[C@@H]1C[C@@H]1[NH2+][C@@H](C)C(F)F 233914314 571845908 /nfs/dbraw/zinc/84/59/08/571845908.db2.gz ZIWNOAFVBQISTK-XVMARJQXSA-N 1 1 163.211 2.028 10 0 AEAEMO Cc1ccnc(-c2cc(N)cc[nH+]2)c1 38363396 571846833 /nfs/dbraw/zinc/84/68/33/571846833.db2.gz IBMYVWVPHXKPMY-UHFFFAOYSA-N 1 1 185.230 2.034 10 0 AEAEMO CCCC[C@H](C)N[C@H](C)[C@H]1CCC[NH2+]1 400362182 571848035 /nfs/dbraw/zinc/84/80/35/571848035.db2.gz DLGUZVMYQJGFDX-QJPTWQEYSA-N 1 1 198.354 2.295 10 0 AEAEMO Cc1cc(=[NH+]N)c(C)c2[nH]cccc1-2 38434560 571848811 /nfs/dbraw/zinc/84/88/11/571848811.db2.gz UAXVYKIHLYKHCV-UHFFFAOYSA-N 1 1 187.246 2.137 10 0 AEAEMO C/C=C\C[N@H+]1CC[C@H](C)[C@H](F)C1 379312207 571854336 /nfs/dbraw/zinc/85/43/36/571854336.db2.gz XDLXWWBNHDQSMM-RWCMCFKCSA-N 1 1 171.259 2.242 10 0 AEAEMO C[N@H+](c1ccc(O)cc1)n1cccc1 28759625 571852040 /nfs/dbraw/zinc/85/20/40/571852040.db2.gz YINRZNBZACXJJZ-UHFFFAOYSA-N 1 1 188.230 2.093 10 0 AEAEMO C/C=C\C[N@@H+]1CC(C)=C[C@@H](C)C1 379313638 571853398 /nfs/dbraw/zinc/85/33/98/571853398.db2.gz IZFBAPAXYLAOMM-UMCURTJPSA-N 1 1 165.280 2.461 10 0 AEAEMO C/C=C\C[N@H+]1CC[C@H](C)[C@@H](F)C1 379312206 571855087 /nfs/dbraw/zinc/85/50/87/571855087.db2.gz XDLXWWBNHDQSMM-CMIOBCHKSA-N 1 1 171.259 2.242 10 0 AEAEMO C/C=C\C[N@H+]1CCS[C@H](C)CC1 379313050 571853794 /nfs/dbraw/zinc/85/37/94/571853794.db2.gz DQZNPBYSHDHDCV-UMBAGQNISA-N 1 1 185.336 2.390 10 0 AEAEMO C/C=C\C[N@@H+]1CC(C)=C[C@H](C)C1 379313637 571854543 /nfs/dbraw/zinc/85/45/43/571854543.db2.gz IZFBAPAXYLAOMM-LWTINBJPSA-N 1 1 165.280 2.461 10 0 AEAEMO C/C=C\C[N@H+]1[C@@H](C)CSC[C@H]1C 379312175 571854579 /nfs/dbraw/zinc/85/45/79/571854579.db2.gz WSLYZPUCRSQZQI-QOYVELHUSA-N 1 1 185.336 2.388 10 0 AEAEMO C/C=C\C[N@H+]1CCS[C@@H](C)CC1 379313051 571854998 /nfs/dbraw/zinc/85/49/98/571854998.db2.gz DQZNPBYSHDHDCV-XOULXFPDSA-N 1 1 185.336 2.390 10 0 AEAEMO c1ccc2c(c1)CC[C@@H]2c1[nH]cc[nH+]1 29046639 571854964 /nfs/dbraw/zinc/85/49/64/571854964.db2.gz FSOUVFKZLYLZCE-NSHDSACASA-N 1 1 184.242 2.488 10 0 AEAEMO CC(C)[N@@H+](CCN)CCC1CCCC1 300721013 571855545 /nfs/dbraw/zinc/85/55/45/571855545.db2.gz BNULMSRTVZTEJW-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)N(CC[NH3+])CCC1CCCC1 300721013 571855547 /nfs/dbraw/zinc/85/55/47/571855547.db2.gz BNULMSRTVZTEJW-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H]1C[C@@H]1[N@H+]1CCC(=O)[C@@H](C)[C@@H]1C 233929282 571855827 /nfs/dbraw/zinc/85/58/27/571855827.db2.gz IEJSZSAXKJCYAS-MMWGEVLESA-N 1 1 195.306 2.084 10 0 AEAEMO CC[C@@H]1CN[C@H](C)C[N@@H+]1CC=C(C)C 233925838 571856313 /nfs/dbraw/zinc/85/63/13/571856313.db2.gz KTKFBCYWQPJCRB-VXGBXAGGSA-N 1 1 196.338 2.025 10 0 AEAEMO CC[C@@H]1CN[C@H](C)C[N@H+]1CC=C(C)C 233925838 571856318 /nfs/dbraw/zinc/85/63/18/571856318.db2.gz KTKFBCYWQPJCRB-VXGBXAGGSA-N 1 1 196.338 2.025 10 0 AEAEMO c1ccc2c(c1)CC[C@H]2c1[nH]cc[nH+]1 29046637 571856756 /nfs/dbraw/zinc/85/67/56/571856756.db2.gz FSOUVFKZLYLZCE-LLVKDONJSA-N 1 1 184.242 2.488 10 0 AEAEMO CCC(C)(C)C[N@@H+](CCN)CC1CC1 713123699 571858549 /nfs/dbraw/zinc/85/85/49/571858549.db2.gz CWYWQVLLPQKVMO-UHFFFAOYSA-N 1 1 198.354 2.093 10 0 AEAEMO CC[C@@](C)(O)C[N@H+]1CCC12CCCC2 687864817 571858919 /nfs/dbraw/zinc/85/89/19/571858919.db2.gz IMRFFZZGCNPDFU-LLVKDONJSA-N 1 1 197.322 2.166 10 0 AEAEMO C[NH2+][C@H](C)C[NH2+][C@@H]1CCC[C@@H](C)CC1 234441120 571858943 /nfs/dbraw/zinc/85/89/43/571858943.db2.gz CUOFRJBRFKHUGB-IJLUTSLNSA-N 1 1 198.354 2.153 10 0 AEAEMO Nc1ccc2cc3c([nH+]c2c1)CCC3 138899204 571860261 /nfs/dbraw/zinc/86/02/61/571860261.db2.gz LVLZDZOYRPSNRC-UHFFFAOYSA-N 1 1 184.242 2.306 10 0 AEAEMO CCc1c[nH]c(C(C)C)[nH+]1 38886273 571860671 /nfs/dbraw/zinc/86/06/71/571860671.db2.gz OYJZPZRULWUTKH-UHFFFAOYSA-N 1 1 138.214 2.096 10 0 AEAEMO CC[C@](C)(O)C[N@H+]1CCC12CCCC2 687864819 571861432 /nfs/dbraw/zinc/86/14/32/571861432.db2.gz IMRFFZZGCNPDFU-NSHDSACASA-N 1 1 197.322 2.166 10 0 AEAEMO CCCCCc1noc([C@H]([NH3+])CC)n1 380112895 571869071 /nfs/dbraw/zinc/86/90/71/571869071.db2.gz OQGRQBBNKFEDSD-MRVPVSSYSA-N 1 1 197.282 2.212 10 0 AEAEMO CC[C@]12CCC[C@H](CC[N@H+]1CCO)C2 39018287 571870915 /nfs/dbraw/zinc/87/09/15/571870915.db2.gz FNCHKEOPKKVYIX-VXGBXAGGSA-N 1 1 197.322 2.023 10 0 AEAEMO CCCC[N@@H+](CC)[C@H](C)C[C@H](C)O 249775999 571871352 /nfs/dbraw/zinc/87/13/52/571871352.db2.gz CTUVVCIRPIGAFD-MNOVXSKESA-N 1 1 187.327 2.268 10 0 AEAEMO CCCC[N@@H+](CC)[C@@H](C)C[C@H](C)O 249776000 571872206 /nfs/dbraw/zinc/87/22/06/571872206.db2.gz CTUVVCIRPIGAFD-QWRGUYRKSA-N 1 1 187.327 2.268 10 0 AEAEMO c1cc(C[NH2+]Cc2cnoc2)cs1 63152715 571872466 /nfs/dbraw/zinc/87/24/66/571872466.db2.gz SCSMBHXJWIRVOH-UHFFFAOYSA-N 1 1 194.259 2.026 10 0 AEAEMO Cc1ccc2c(NN)cc(C)[nH+]c2c1 2564395 571877075 /nfs/dbraw/zinc/87/70/75/571877075.db2.gz HVNQOPBKVCBUMV-UHFFFAOYSA-N 1 1 187.246 2.137 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@@H](C)C[C@H]1CN 300038817 571881105 /nfs/dbraw/zinc/88/11/05/571881105.db2.gz LIKZHOCGCXEAHV-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CC[N@H+]([C@H](C)CC)[C@H](CN)C1 300034738 571882194 /nfs/dbraw/zinc/88/21/94/571882194.db2.gz ZYHMTJLBNZRUTR-UTUOFQBUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CCN([C@H](C)CC)[C@H](C[NH3+])C1 300034738 571882195 /nfs/dbraw/zinc/88/21/95/571882195.db2.gz ZYHMTJLBNZRUTR-UTUOFQBUSA-N 1 1 198.354 2.234 10 0 AEAEMO C/C=C/C[N@H+]1CC[C@H](CC)C[C@H]1CN 300029513 571882710 /nfs/dbraw/zinc/88/27/10/571882710.db2.gz OVDGJMCPWRCAMV-SCBUBVSKSA-N 1 1 196.338 2.012 10 0 AEAEMO C/C=C/C[N@@H+]1CC[C@H](CC)C[C@H]1CN 300029513 571882712 /nfs/dbraw/zinc/88/27/12/571882712.db2.gz OVDGJMCPWRCAMV-SCBUBVSKSA-N 1 1 196.338 2.012 10 0 AEAEMO CCCC[N@H+]1CC[C@@H](CC)C[C@H]1CN 300029571 571882754 /nfs/dbraw/zinc/88/27/54/571882754.db2.gz PKKTWRSBGXJVKR-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCN1CC[C@@H](CC)C[C@H]1C[NH3+] 300029571 571882759 /nfs/dbraw/zinc/88/27/59/571882759.db2.gz PKKTWRSBGXJVKR-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H]1C[N@@H+](CC(C)(C)CC)CCN1 300038910 571882841 /nfs/dbraw/zinc/88/28/41/571882841.db2.gz XXXBPVHZDJBBHP-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H]1CN(CC(C)(C)CC)CC[NH2+]1 300038910 571882843 /nfs/dbraw/zinc/88/28/43/571882843.db2.gz XXXBPVHZDJBBHP-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[N@H+]1CC[C@H](CC)C[C@H]1CN 300029572 571882999 /nfs/dbraw/zinc/88/29/99/571882999.db2.gz PKKTWRSBGXJVKR-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCN1CC[C@H](CC)C[C@H]1C[NH3+] 300029572 571883000 /nfs/dbraw/zinc/88/30/00/571883000.db2.gz PKKTWRSBGXJVKR-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@@H](CC)C[C@H]1CN 300034736 571883253 /nfs/dbraw/zinc/88/32/53/571883253.db2.gz ZYHMTJLBNZRUTR-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)N1CC[C@@H](CC)C[C@H]1C[NH3+] 300034736 571883274 /nfs/dbraw/zinc/88/32/74/571883274.db2.gz ZYHMTJLBNZRUTR-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)[N@H+]1CC[C@@H](C)C[C@H]1CN 300038371 571883726 /nfs/dbraw/zinc/88/37/26/571883726.db2.gz JCDOFXQALCXTFS-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@H](C)C[C@@H]1CN 300038815 571883471 /nfs/dbraw/zinc/88/34/71/571883471.db2.gz LIKZHOCGCXEAHV-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)(C)C[C@H](N)C[NH2+][C@H]1CC1(C)C 401216141 571883817 /nfs/dbraw/zinc/88/38/17/571883817.db2.gz CHABBCGRYKNTQP-UWVGGRQHSA-N 1 1 198.354 2.138 10 0 AEAEMO CC(C)[N@@H+](C)CCc1ccco1 39082453 571884054 /nfs/dbraw/zinc/88/40/54/571884054.db2.gz BIJVTFHIPYFBPU-UHFFFAOYSA-N 1 1 167.252 2.162 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@H](C)C[C@H]1CN 300038816 571884180 /nfs/dbraw/zinc/88/41/80/571884180.db2.gz LIKZHOCGCXEAHV-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@H](CC)[N@H+]1C[C@H](C)[C@@H](N)C1 300050153 571884515 /nfs/dbraw/zinc/88/45/15/571884515.db2.gz XSFCOPRWKAVXOH-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)(C)C[C@H](N)C[NH2+][C@@H]1CC1(C)C 401216142 571885939 /nfs/dbraw/zinc/88/59/39/571885939.db2.gz CHABBCGRYKNTQP-VHSXEESVSA-N 1 1 198.354 2.138 10 0 AEAEMO CC(C)CC[N@@H+](C)C1(CN)CC(C)C1 300044194 571886030 /nfs/dbraw/zinc/88/60/30/571886030.db2.gz AAXNQRBOUJKKKA-UHFFFAOYSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)CCN(C)C1(C[NH3+])CC(C)C1 300044194 571886034 /nfs/dbraw/zinc/88/60/34/571886034.db2.gz AAXNQRBOUJKKKA-UHFFFAOYSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)CC[C@H](C)[N@@H+]1C[C@H](C)[C@@H](N)C1 300050066 571887054 /nfs/dbraw/zinc/88/70/54/571887054.db2.gz WWIQDNWMFPGAME-SRVKXCTJSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)CC[C@H](C)[N@H+]1C[C@H](C)[C@@H](N)C1 300050066 571887057 /nfs/dbraw/zinc/88/70/57/571887057.db2.gz WWIQDNWMFPGAME-SRVKXCTJSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@H]1CC[C@@H]2CCC[N@H+]21 39103233 571886663 /nfs/dbraw/zinc/88/66/63/571886663.db2.gz SZQYMYBGYNPADG-VHSXEESVSA-N 1 1 153.269 2.269 10 0 AEAEMO CCCC[C@H](CC)[N@H+]1C[C@H](C)[C@H](N)C1 300050152 571886771 /nfs/dbraw/zinc/88/67/71/571886771.db2.gz XSFCOPRWKAVXOH-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO CC1=CC(C)(C)[N@@H+](C(C)C)C1 39103199 571886919 /nfs/dbraw/zinc/88/69/19/571886919.db2.gz VPVYKWNJFNXDHY-UHFFFAOYSA-N 1 1 153.269 2.435 10 0 AEAEMO CC(C)CC[C@H](C)[N@H+]1C[C@@H](N)[C@H](C)C1 300050064 571886929 /nfs/dbraw/zinc/88/69/29/571886929.db2.gz WWIQDNWMFPGAME-GRYCIOLGSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)CC[C@H](C)[N@@H+]1C[C@@H](N)[C@H](C)C1 300050064 571886931 /nfs/dbraw/zinc/88/69/31/571886931.db2.gz WWIQDNWMFPGAME-GRYCIOLGSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)CC[C@H](C)[N@@H+]1C[C@H](C)[C@H](N)C1 300050065 571887495 /nfs/dbraw/zinc/88/74/95/571887495.db2.gz WWIQDNWMFPGAME-SDDRHHMPSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)CC[C@H](C)[N@H+]1C[C@H](C)[C@H](N)C1 300050065 571887497 /nfs/dbraw/zinc/88/74/97/571887497.db2.gz WWIQDNWMFPGAME-SDDRHHMPSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[N@H+]1CCC=C2C=CC=C21 39103761 571887555 /nfs/dbraw/zinc/88/75/55/571887555.db2.gz CRPVHUZBDZUMAN-UHFFFAOYSA-N 1 1 161.248 2.481 10 0 AEAEMO Cc1[nH+]ccc(C(C)C)c1O 39103082 571887630 /nfs/dbraw/zinc/88/76/30/571887630.db2.gz DVPVBEUUGVWOEQ-UHFFFAOYSA-N 1 1 151.209 2.219 10 0 AEAEMO CC(C)[C@@H]1CC[C@@H]2CCC[N@H+]21 39103232 571887772 /nfs/dbraw/zinc/88/77/72/571887772.db2.gz SZQYMYBGYNPADG-UWVGGRQHSA-N 1 1 153.269 2.269 10 0 AEAEMO CC(C)[N@H+]1C[C@@H]2C[C@@H]2C1(C)C 39103236 571887976 /nfs/dbraw/zinc/88/79/76/571887976.db2.gz PDRPHEJJXFBPMA-IUCAKERBSA-N 1 1 153.269 2.125 10 0 AEAEMO CCCC(CCC)[N@@H+]1C[C@@H](N)[C@H](C)C1 300049424 571888347 /nfs/dbraw/zinc/88/83/47/571888347.db2.gz RPWBVHAQABMFBB-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CC[N@@H+](CC(C)C)[C@H](CN)C1 300047571 571888806 /nfs/dbraw/zinc/88/88/06/571888806.db2.gz MDGVMMSYEBTGEA-NEPJUHHUSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H]1CCN(CC(C)C)[C@H](C[NH3+])C1 300047571 571888808 /nfs/dbraw/zinc/88/88/08/571888808.db2.gz MDGVMMSYEBTGEA-NEPJUHHUSA-N 1 1 198.354 2.092 10 0 AEAEMO CC1(C)CC[N@H+]([C@H]2CCCC[C@@H]2O)C1 87257435 571888890 /nfs/dbraw/zinc/88/88/90/571888890.db2.gz KPNDJQIRVWMCTJ-QWRGUYRKSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[N@H+](C1CCCC1)[C@H](C)C[C@H](C)O 249885631 571889124 /nfs/dbraw/zinc/88/91/24/571889124.db2.gz CBGMFJYCYRWERV-MNOVXSKESA-N 1 1 199.338 2.410 10 0 AEAEMO CC[C@@]12CC[C@@H](C1)[C@H]1CCC[N@@H+]12 39111784 571889301 /nfs/dbraw/zinc/88/93/01/571889301.db2.gz CAPNMZXAMQVOIF-HBNTYKKESA-N 1 1 165.280 2.413 10 0 AEAEMO CCCCC[C@H](C)[N@@H+]1C[C@H](C)[C@@H](N)C1 300049606 571890165 /nfs/dbraw/zinc/89/01/65/571890165.db2.gz SXFIIXMTZULNHI-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCC[C@H](C)[N@H+]1C[C@H](C)[C@@H](N)C1 300049606 571890169 /nfs/dbraw/zinc/89/01/69/571890169.db2.gz SXFIIXMTZULNHI-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@H+](C1CCCC1)[C@@H](C)C[C@H](C)O 249885637 571890186 /nfs/dbraw/zinc/89/01/86/571890186.db2.gz CBGMFJYCYRWERV-QWRGUYRKSA-N 1 1 199.338 2.410 10 0 AEAEMO C[C@@]12CC[C@@H](C[C@H]3CCC[N@@H+]31)C2 39111816 571890593 /nfs/dbraw/zinc/89/05/93/571890593.db2.gz WUNLJUBDXGCVFW-AXFHLTTASA-N 1 1 165.280 2.413 10 0 AEAEMO CCCCC[C@H](C)[N@@H+]1C[C@H](C)[C@H](N)C1 300049605 571890745 /nfs/dbraw/zinc/89/07/45/571890745.db2.gz SXFIIXMTZULNHI-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCC[C@H](C)[N@H+]1C[C@H](C)[C@H](N)C1 300049605 571890747 /nfs/dbraw/zinc/89/07/47/571890747.db2.gz SXFIIXMTZULNHI-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO Cc1cc2n(c1)C[C@@H]1C[C@@H](C)C[N@@H+]1C2 39115410 571892528 /nfs/dbraw/zinc/89/25/28/571892528.db2.gz HGGOONVVGBNFME-PWSUYJOCSA-N 1 1 190.290 2.021 10 0 AEAEMO C[C@@H]1CCC(C)(C)C[N@H+]1C 39078828 571894607 /nfs/dbraw/zinc/89/46/07/571894607.db2.gz LOTKSSJHWCEIMH-MRVPVSSYSA-N 1 1 141.258 2.127 10 0 AEAEMO C[C@H]1CCC(C)(C)C[N@H+]1C 39078830 571894976 /nfs/dbraw/zinc/89/49/76/571894976.db2.gz LOTKSSJHWCEIMH-QMMMGPOBSA-N 1 1 141.258 2.127 10 0 AEAEMO CC[N@H+](CC1CCC1)CC(C)(C)NC 230321123 571895301 /nfs/dbraw/zinc/89/53/01/571895301.db2.gz NXSLEQFHECOULP-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[N@@H+](CC1CCC1)CC(C)(C)NC 230321123 571895305 /nfs/dbraw/zinc/89/53/05/571895305.db2.gz NXSLEQFHECOULP-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H]1CC[N@H+](CCC[C@H](O)CC)C1 300064138 571896250 /nfs/dbraw/zinc/89/62/50/571896250.db2.gz KKGIGCUWCFMJEK-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CCCC[C@H](C)C[N@@H+](C)[C@@H](C)CN 711103671 571896435 /nfs/dbraw/zinc/89/64/35/571896435.db2.gz ITPAWMUOHIZHNF-QWRGUYRKSA-N 1 1 186.343 2.092 10 0 AEAEMO CCCC[C@H](C)CN(C)[C@@H](C)C[NH3+] 711103671 571896441 /nfs/dbraw/zinc/89/64/41/571896441.db2.gz ITPAWMUOHIZHNF-QWRGUYRKSA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@H](C)C[C@H](C)NC[C@H]1CCC[NH2+]1 300061664 571896586 /nfs/dbraw/zinc/89/65/86/571896586.db2.gz JYEQVTUZUWESRK-SDDRHHMPSA-N 1 1 198.354 2.153 10 0 AEAEMO CC[C@@H](O)CCC[N@H+]1CCC[C@H]1CC 300064203 571896691 /nfs/dbraw/zinc/89/66/91/571896691.db2.gz NAKSHNKJUBRGDL-VXGBXAGGSA-N 1 1 199.338 2.412 10 0 AEAEMO CC[C@H](O)CCC[N@H+]1CCC[C@H]1CC 300064202 571896863 /nfs/dbraw/zinc/89/68/63/571896863.db2.gz NAKSHNKJUBRGDL-NEPJUHHUSA-N 1 1 199.338 2.412 10 0 AEAEMO CC[C@H](O)CCC[N@H+]1CCC[C@H](C)C1 300064121 571896947 /nfs/dbraw/zinc/89/69/47/571896947.db2.gz JPHJDHJRPIQUCP-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC(=O)CCC[N@@H+](C)C[C@H]1C[C@H]1C 300064235 571896951 /nfs/dbraw/zinc/89/69/51/571896951.db2.gz OZGIXJNMVQCGOV-GHMZBOCLSA-N 1 1 197.322 2.334 10 0 AEAEMO CCCC[C@H](C)C[N@@H+](C)[C@H](C)CN 711103674 571896960 /nfs/dbraw/zinc/89/69/60/571896960.db2.gz ITPAWMUOHIZHNF-WDEREUQCSA-N 1 1 186.343 2.092 10 0 AEAEMO CCCC[C@H](C)CN(C)[C@H](C)C[NH3+] 711103674 571896963 /nfs/dbraw/zinc/89/69/63/571896963.db2.gz ITPAWMUOHIZHNF-WDEREUQCSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC(=O)CCC[N@@H+](C)C[C@@H]1C[C@H]1C 300064236 571896987 /nfs/dbraw/zinc/89/69/87/571896987.db2.gz OZGIXJNMVQCGOV-MNOVXSKESA-N 1 1 197.322 2.334 10 0 AEAEMO CC[C@H](O)CCC[N@H+]1C[C@@H](C)C[C@H]1C 300063982 571896993 /nfs/dbraw/zinc/89/69/93/571896993.db2.gz CJUKQXAQYGTCDY-TUAOUCFPSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](O)CCC[N@@H+](C)C[C@H]1C[C@H]1C 300064103 571897021 /nfs/dbraw/zinc/89/70/21/571897021.db2.gz IRQBJXXYIPDZGF-UTUOFQBUSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H](O)CCC[N@@H+](C)[C@H](C)C1CC1 300063945 571897333 /nfs/dbraw/zinc/89/73/33/571897333.db2.gz ATHGTIQYNDGBIB-ZYHUDNBSSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H](O)CCC[N@H+]1CCC[C@H]1C 300064164 571897380 /nfs/dbraw/zinc/89/73/80/571897380.db2.gz LMMYBDIWHFDUEY-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@H](O)CCC[N@H+]1CCCC[C@H]1C 300064133 571897408 /nfs/dbraw/zinc/89/74/08/571897408.db2.gz KGSMKRMLROYRCT-NEPJUHHUSA-N 1 1 199.338 2.412 10 0 AEAEMO CC[C@H](O)CCC[N@@H+](C)C[C@H]1C[C@@H]1C 300064102 571897483 /nfs/dbraw/zinc/89/74/83/571897483.db2.gz IRQBJXXYIPDZGF-TUAOUCFPSA-N 1 1 199.338 2.125 10 0 AEAEMO CCCC[C@@H](C)C[N@@H+](C)[C@@H](C)CN 711103669 571897525 /nfs/dbraw/zinc/89/75/25/571897525.db2.gz ITPAWMUOHIZHNF-MNOVXSKESA-N 1 1 186.343 2.092 10 0 AEAEMO CCCC[C@@H](C)CN(C)[C@@H](C)C[NH3+] 711103669 571897526 /nfs/dbraw/zinc/89/75/26/571897526.db2.gz ITPAWMUOHIZHNF-MNOVXSKESA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@H](O)CCC[N@H+]1CCC[C@H]1C 300064165 571897650 /nfs/dbraw/zinc/89/76/50/571897650.db2.gz LMMYBDIWHFDUEY-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@H](O)CCC[N@@H+](C)[C@H](C)C1CC1 300063944 571897719 /nfs/dbraw/zinc/89/77/19/571897719.db2.gz ATHGTIQYNDGBIB-PWSUYJOCSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](O)CCC[N@H+]1C[C@H](C)C[C@@H]1C 300063984 571897842 /nfs/dbraw/zinc/89/78/42/571897842.db2.gz CJUKQXAQYGTCDY-WOPDTQHZSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H](O)CCC[N@H+]1CCC[C@H](C)C1 300064120 571897864 /nfs/dbraw/zinc/89/78/64/571897864.db2.gz JPHJDHJRPIQUCP-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@H](O)CCC[N@@H+](C)[C@H](C)CC 300064073 571897945 /nfs/dbraw/zinc/89/79/45/571897945.db2.gz HKJRYWHHOSNTBJ-GHMZBOCLSA-N 1 1 187.327 2.268 10 0 AEAEMO CC[C@H](O)CCC[N@H+]1CC[C@H](CC)C1 300064139 571897965 /nfs/dbraw/zinc/89/79/65/571897965.db2.gz KKGIGCUWCFMJEK-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@H](O)CCC[N@H+]1CCCC[C@H]1C 300064134 571897978 /nfs/dbraw/zinc/89/79/78/571897978.db2.gz KGSMKRMLROYRCT-VXGBXAGGSA-N 1 1 199.338 2.412 10 0 AEAEMO CC(C)[C@@]1(c2ccccc2)C[NH2+]1 39103782 571898139 /nfs/dbraw/zinc/89/81/39/571898139.db2.gz MVWWNJNRUAXYIP-LLVKDONJSA-N 1 1 161.248 2.141 10 0 AEAEMO CCCC[C@@H](C)C[N@@H+](C)[C@H](C)CN 711103667 571898195 /nfs/dbraw/zinc/89/81/95/571898195.db2.gz ITPAWMUOHIZHNF-GHMZBOCLSA-N 1 1 186.343 2.092 10 0 AEAEMO CCCC[C@@H](C)CN(C)[C@H](C)C[NH3+] 711103667 571898197 /nfs/dbraw/zinc/89/81/97/571898197.db2.gz ITPAWMUOHIZHNF-GHMZBOCLSA-N 1 1 186.343 2.092 10 0 AEAEMO CC(C)[C@]1(c2ccccc2)C[NH2+]1 39103781 571898228 /nfs/dbraw/zinc/89/82/28/571898228.db2.gz MVWWNJNRUAXYIP-NSHDSACASA-N 1 1 161.248 2.141 10 0 AEAEMO CC[C@H](O)CCC[N@@H+](C)[C@H](C)CC 300064074 571898237 /nfs/dbraw/zinc/89/82/37/571898237.db2.gz HKJRYWHHOSNTBJ-MNOVXSKESA-N 1 1 187.327 2.268 10 0 AEAEMO CC[C@H](O)CCC[N@H+]1C[C@H](C)C[C@H]1C 300063983 571898266 /nfs/dbraw/zinc/89/82/66/571898266.db2.gz CJUKQXAQYGTCDY-UTUOFQBUSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](O)CCC[N@@H+](C)C[C@@H]1C[C@H]1C 300064104 571898486 /nfs/dbraw/zinc/89/84/86/571898486.db2.gz IRQBJXXYIPDZGF-WOPDTQHZSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)[N@H+]1CC2CCC1CC2 39103218 571898494 /nfs/dbraw/zinc/89/84/94/571898494.db2.gz SQPHBVICVUXCPY-UHFFFAOYSA-N 1 1 153.269 2.269 10 0 AEAEMO CC[C@H](C)C[C@@H](C)NC[C@H]1CCC[NH2+]1 300061663 571898874 /nfs/dbraw/zinc/89/88/74/571898874.db2.gz JYEQVTUZUWESRK-QJPTWQEYSA-N 1 1 198.354 2.153 10 0 AEAEMO c1csc(Cc2[nH]cc[nH+]2)c1 39132543 571899303 /nfs/dbraw/zinc/89/93/03/571899303.db2.gz KBPZFXXKNIJQNQ-UHFFFAOYSA-N 1 1 164.233 2.062 10 0 AEAEMO CC[C@](C)(N)C[NH2+]CCCC1CCC1 711127925 571899364 /nfs/dbraw/zinc/89/93/64/571899364.db2.gz FWRJIKAHTNIXDQ-LBPRGKRZSA-N 1 1 198.354 2.284 10 0 AEAEMO CCc1[nH+]ccn1C[C@@H](F)CC 393337021 571899917 /nfs/dbraw/zinc/89/99/17/571899917.db2.gz JMZLHBRWBROKOR-QMMMGPOBSA-N 1 1 170.231 2.194 10 0 AEAEMO CC[N@H+](C1CC1)[C@H](CN)CCC(C)C 394108606 571900459 /nfs/dbraw/zinc/90/04/59/571900459.db2.gz JYHUMLLTBAGDTB-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCN(C1CC1)[C@H](C[NH3+])CCC(C)C 394108606 571900461 /nfs/dbraw/zinc/90/04/61/571900461.db2.gz JYHUMLLTBAGDTB-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@](C)(N)C[NH2+]CCCC1CCC1 711127922 571901020 /nfs/dbraw/zinc/90/10/20/571901020.db2.gz FWRJIKAHTNIXDQ-GFCCVEGCSA-N 1 1 198.354 2.284 10 0 AEAEMO CCc1[nH+]ccn1C[C@H](F)CC 393337020 571901483 /nfs/dbraw/zinc/90/14/83/571901483.db2.gz JMZLHBRWBROKOR-MRVPVSSYSA-N 1 1 170.231 2.194 10 0 AEAEMO Cc1cc[nH+]c(NCc2cc[nH]c2)c1 124518000 571903693 /nfs/dbraw/zinc/90/36/93/571903693.db2.gz AJUDJIUIUOBJNM-UHFFFAOYSA-N 1 1 187.246 2.330 10 0 AEAEMO CC[C@H]([NH2+]N1CCCCC1)C1CC1 213914175 571904205 /nfs/dbraw/zinc/90/42/05/571904205.db2.gz HSBMIJNTNXTIAR-NSHDSACASA-N 1 1 182.311 2.166 10 0 AEAEMO CC[C@@H]1CCC[C@H]([N@@H+](C)CCCO)C1 300767273 571905248 /nfs/dbraw/zinc/90/52/48/571905248.db2.gz BYLHWELPWXQWDG-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC(C)(C)C[C@H]([NH3+])[C@H]1CCC[N@@H+]1C 713128535 571905987 /nfs/dbraw/zinc/90/59/87/571905987.db2.gz FPVXNPIRPXDURA-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(C)(C)C[C@H]([NH3+])[C@H]1CCC[N@H+]1C 713128535 571905989 /nfs/dbraw/zinc/90/59/89/571905989.db2.gz FPVXNPIRPXDURA-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]([NH2+]N1CCCCC1)C1CC1 213914234 571906027 /nfs/dbraw/zinc/90/60/27/571906027.db2.gz HSBMIJNTNXTIAR-LLVKDONJSA-N 1 1 182.311 2.166 10 0 AEAEMO CC[C@H]1CCC[C@@H]([N@@H+](C)CCCO)C1 300767278 571906118 /nfs/dbraw/zinc/90/61/18/571906118.db2.gz BYLHWELPWXQWDG-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H]1CCC[C@H]([N@@H+](C)CCCO)C1 300767281 571906342 /nfs/dbraw/zinc/90/63/42/571906342.db2.gz BYLHWELPWXQWDG-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO C/C=C\C[N@H+]1CCCC[C@@H](F)C1 379320371 571907055 /nfs/dbraw/zinc/90/70/55/571907055.db2.gz WFBVOZMDIXYVAW-MXQLGCADSA-N 1 1 171.259 2.387 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)C(C)C 145368926 571907119 /nfs/dbraw/zinc/90/71/19/571907119.db2.gz VZVDQQRBKVOHDV-MRVPVSSYSA-N 1 1 129.247 2.125 10 0 AEAEMO CCCCc1ccc(C(=O)C[NH3+])cc1 36156666 571907146 /nfs/dbraw/zinc/90/71/46/571907146.db2.gz CUMUOENSZWKWBQ-UHFFFAOYSA-N 1 1 191.274 2.171 10 0 AEAEMO C/C=C\C[N@H+]1CCCC[C@H](F)C1 379320372 571907450 /nfs/dbraw/zinc/90/74/50/571907450.db2.gz WFBVOZMDIXYVAW-ZMWSMAPVSA-N 1 1 171.259 2.387 10 0 AEAEMO CC(C)(C)[C@@H](N)[C@H]([NH3+])C1CCCCC1 39185698 571907743 /nfs/dbraw/zinc/90/77/43/571907743.db2.gz LYLCDBCBPDIXMH-MNOVXSKESA-N 1 1 198.354 2.267 10 0 AEAEMO Cc1[nH+]ccn1-c1ccccc1 39199755 571907969 /nfs/dbraw/zinc/90/79/69/571907969.db2.gz ZQNVWAQNCHHONO-UHFFFAOYSA-N 1 1 158.204 2.181 10 0 AEAEMO C[C@@H]1CC[N@H+](C/C=C\Cl)C[C@H]1F 379319316 571908340 /nfs/dbraw/zinc/90/83/40/571908340.db2.gz PVPACHGHNJQHRL-HWTYGCMBSA-N 1 1 191.677 2.419 10 0 AEAEMO C[C@@H]1CC[N@@H+](C/C=C\Cl)C[C@H]1F 379319316 571908343 /nfs/dbraw/zinc/90/83/43/571908343.db2.gz PVPACHGHNJQHRL-HWTYGCMBSA-N 1 1 191.677 2.419 10 0 AEAEMO C[C@@H]1CC[N@H+](C/C=C\Cl)C[C@@H]1F 379319317 571908882 /nfs/dbraw/zinc/90/88/82/571908882.db2.gz PVPACHGHNJQHRL-SJLHTBIVSA-N 1 1 191.677 2.419 10 0 AEAEMO C[C@@H]1CC[N@@H+](C/C=C\Cl)C[C@@H]1F 379319317 571908886 /nfs/dbraw/zinc/90/88/86/571908886.db2.gz PVPACHGHNJQHRL-SJLHTBIVSA-N 1 1 191.677 2.419 10 0 AEAEMO c1[nH+]c2c(c3c1CCC3)CCC2 39215153 571910511 /nfs/dbraw/zinc/91/05/11/571910511.db2.gz JVLPTZNJQOHWNW-UHFFFAOYSA-N 1 1 159.232 2.059 10 0 AEAEMO CC[C@@H](C1CC1)[N@@H+](C)CC1(O)CCC1 687678465 571914197 /nfs/dbraw/zinc/91/41/97/571914197.db2.gz VRTVBZHGLRPYHO-NSHDSACASA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H](C1CC1)[N@@H+](C)CC1(O)CCC1 687678464 571915111 /nfs/dbraw/zinc/91/51/11/571915111.db2.gz VRTVBZHGLRPYHO-LLVKDONJSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[N@@H+](CC1(O)CCC1)[C@H](C)C1CC1 687678526 571915260 /nfs/dbraw/zinc/91/52/60/571915260.db2.gz SHRAXUDAWAIUQU-SNVBAGLBSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[N@@H+](CC1(O)CCC1)[C@@H](C)C1CC1 687678525 571915586 /nfs/dbraw/zinc/91/55/86/571915586.db2.gz SHRAXUDAWAIUQU-JTQLQIEISA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@@H+]1C[C@H]2C[C@@H](C1)c1ccccc12 39238591 571915654 /nfs/dbraw/zinc/91/56/54/571915654.db2.gz FKUYXTRQBYUCIE-AOOOYVTPSA-N 1 1 173.259 2.203 10 0 AEAEMO Cc1ccccc1Cc1[nH]cc[nH+]1 39255675 571917409 /nfs/dbraw/zinc/91/74/09/571917409.db2.gz UVOCKSMHKPRDMY-UHFFFAOYSA-N 1 1 172.231 2.309 10 0 AEAEMO CCCC[C@@H](CC)[N@@H+](CC)CCN 300776640 571923231 /nfs/dbraw/zinc/92/32/31/571923231.db2.gz DVWBLSXEGAPCRP-LLVKDONJSA-N 1 1 186.343 2.236 10 0 AEAEMO C[N@H+]1CCC[C@H]1CNc1ccccc1 39374605 571923514 /nfs/dbraw/zinc/92/35/14/571923514.db2.gz PSQSNNZIHWLLEC-LBPRGKRZSA-N 1 1 190.290 2.193 10 0 AEAEMO CCCC[C@H](CC)[N@@H+](CC)CCN 300776641 571923580 /nfs/dbraw/zinc/92/35/80/571923580.db2.gz DVWBLSXEGAPCRP-NSHDSACASA-N 1 1 186.343 2.236 10 0 AEAEMO C[N@H+]1CCC[C@@H]1CNc1ccccc1 39374604 571924828 /nfs/dbraw/zinc/92/48/28/571924828.db2.gz PSQSNNZIHWLLEC-GFCCVEGCSA-N 1 1 190.290 2.193 10 0 AEAEMO CCCc1c[nH]c(CCC)[nH+]1 39407235 571927291 /nfs/dbraw/zinc/92/72/91/571927291.db2.gz YSMLZMWPDIHEJO-UHFFFAOYSA-N 1 1 152.241 2.315 10 0 AEAEMO c1ccc2c(c1)C[C@H]1CCC[N@@H+]1C2 39408563 571927692 /nfs/dbraw/zinc/92/76/92/571927692.db2.gz BWLTWZFBAVVDDK-GFCCVEGCSA-N 1 1 173.259 2.207 10 0 AEAEMO c1ccc2c(c1)C[C@@H]1CCC[N@@H+]1C2 39408560 571928095 /nfs/dbraw/zinc/92/80/95/571928095.db2.gz BWLTWZFBAVVDDK-LBPRGKRZSA-N 1 1 173.259 2.207 10 0 AEAEMO CC[N@H+]1CCCc2sc(N)cc2C1 39471474 571929639 /nfs/dbraw/zinc/92/96/39/571929639.db2.gz NAPDQICAOHOPNA-UHFFFAOYSA-N 1 1 196.319 2.098 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@@H]1/C=C/CCO 687682165 571931983 /nfs/dbraw/zinc/93/19/83/571931983.db2.gz FSTPBAOUGCLYMT-WNPFHQFXSA-N 1 1 197.322 2.188 10 0 AEAEMO CC[N@H+]1CCC[C@H](C/C=C/CCO)C1 687682171 571932256 /nfs/dbraw/zinc/93/22/56/571932256.db2.gz UBZLCXNIJQYVJJ-PCAWENJQSA-N 1 1 197.322 2.047 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H]1C/C=C/CCO 687682160 571932619 /nfs/dbraw/zinc/93/26/19/571932619.db2.gz BLTLEAKLWQOQQF-AAOUONPWSA-N 1 1 197.322 2.188 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H](/C=C/CCO)C1 687682179 571932903 /nfs/dbraw/zinc/93/29/03/571932903.db2.gz NUHKGWJBMMNESZ-UXONFWTHSA-N 1 1 197.322 2.045 10 0 AEAEMO [NH3+]C/C=C\c1ccc(-c2ncc[nH]2)cc1 687682417 571932934 /nfs/dbraw/zinc/93/29/34/571932934.db2.gz AWUQFAPRLWPWEN-UPHRSURJSA-N 1 1 199.257 2.049 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@@H]1C/C=C/CO 687682188 571933154 /nfs/dbraw/zinc/93/31/54/571933154.db2.gz PHIZPQSNWFYQFC-FVOPLDGLSA-N 1 1 197.322 2.188 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@H]1/C=C/CCO 687682164 571933236 /nfs/dbraw/zinc/93/32/36/571933236.db2.gz FSTPBAOUGCLYMT-GXWOQWCDSA-N 1 1 197.322 2.188 10 0 AEAEMO CC[N@H+]1CCC[C@@H](C/C=C/CCO)C1 687682170 571933632 /nfs/dbraw/zinc/93/36/32/571933632.db2.gz UBZLCXNIJQYVJJ-AAOUONPWSA-N 1 1 197.322 2.047 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H](C/C=C/CO)C1 687682181 571933781 /nfs/dbraw/zinc/93/37/81/571933781.db2.gz PCPXZIAAOZOABB-PCAWENJQSA-N 1 1 197.322 2.045 10 0 AEAEMO CC(C)(C)CCC[C@H]([NH3+])c1nc[nH]n1 300800773 571933851 /nfs/dbraw/zinc/93/38/51/571933851.db2.gz DPTYGEJOYJRCNQ-QMMMGPOBSA-N 1 1 196.298 2.021 10 0 AEAEMO CC(C)[N@H+]1CC[C@H](C/C=C/CCO)C1 687682176 571933933 /nfs/dbraw/zinc/93/39/33/571933933.db2.gz DECPGEWUOKQVCE-PCAWENJQSA-N 1 1 197.322 2.045 10 0 AEAEMO CC[N@H+]1CCCC[C@@H]1C/C=C/CCO 687682169 571934566 /nfs/dbraw/zinc/93/45/66/571934566.db2.gz TYDJPIWTQZFDMI-PCAWENJQSA-N 1 1 197.322 2.190 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@H]1C/C=C/CO 687682187 571934716 /nfs/dbraw/zinc/93/47/16/571934716.db2.gz PHIZPQSNWFYQFC-FUEXJSSKSA-N 1 1 197.322 2.188 10 0 AEAEMO CC(C)[N@H+]1CC[C@@H](C/C=C/CCO)C1 687682175 571934868 /nfs/dbraw/zinc/93/48/68/571934868.db2.gz DECPGEWUOKQVCE-AAOUONPWSA-N 1 1 197.322 2.045 10 0 AEAEMO CC[N@H+]1CCCC[C@H]1C/C=C/CCO 687682168 571935053 /nfs/dbraw/zinc/93/50/53/571935053.db2.gz TYDJPIWTQZFDMI-AAOUONPWSA-N 1 1 197.322 2.190 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H]1C/C=C/CCO 687682161 571935177 /nfs/dbraw/zinc/93/51/77/571935177.db2.gz BLTLEAKLWQOQQF-PCAWENJQSA-N 1 1 197.322 2.188 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H](C/C=C/CO)C1 687682180 571935370 /nfs/dbraw/zinc/93/53/70/571935370.db2.gz PCPXZIAAOZOABB-AAOUONPWSA-N 1 1 197.322 2.045 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H](/C=C/CCO)C1 687682178 571935623 /nfs/dbraw/zinc/93/56/23/571935623.db2.gz NUHKGWJBMMNESZ-MJRJWQSSSA-N 1 1 197.322 2.045 10 0 AEAEMO CCCC1C[NH+]([C@H](CN)C(C)(C)C)C1 300802291 571935691 /nfs/dbraw/zinc/93/56/91/571935691.db2.gz FEUOVZYEEYKBPP-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO CC1(C)CC[N@H+]1C[C@@H]1CCCC[C@H]1O 687683711 571935922 /nfs/dbraw/zinc/93/59/22/571935922.db2.gz RZKXKMCNSKFMKU-WDEREUQCSA-N 1 1 197.322 2.022 10 0 AEAEMO CC1(C)CC[N@H+]1C[C@H]1CCCC[C@H]1O 687683708 571936185 /nfs/dbraw/zinc/93/61/85/571936185.db2.gz RZKXKMCNSKFMKU-GHMZBOCLSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[N@@H+](C)[C@@]1(CN)CC(C)(C)C[C@@H]1C 233969988 571936309 /nfs/dbraw/zinc/93/63/09/571936309.db2.gz ZEAVWFSKGBHNAW-CMPLNLGQSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H]1C[C@H]1[NH2+][C@@H](C)C(F)F 233965762 571936765 /nfs/dbraw/zinc/93/67/65/571936765.db2.gz ZIWNOAFVBQISTK-RRKCRQDMSA-N 1 1 163.211 2.028 10 0 AEAEMO CC1(C)CC[N@H+]1C[C@@H]1CCCC[C@@H]1O 687683710 571937298 /nfs/dbraw/zinc/93/72/98/571937298.db2.gz RZKXKMCNSKFMKU-QWRGUYRKSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCC1C[NH+]([C@@H](CN)C(C)(C)C)C1 300802293 571937563 /nfs/dbraw/zinc/93/75/63/571937563.db2.gz FEUOVZYEEYKBPP-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CC1(C)CC[N@H+]1C[C@H]1CCCC[C@@H]1O 687683709 571937651 /nfs/dbraw/zinc/93/76/51/571937651.db2.gz RZKXKMCNSKFMKU-MNOVXSKESA-N 1 1 197.322 2.022 10 0 AEAEMO CC[N@@H+](C)[C@@H](C)c1cc(O)cc(O)c1 233967355 571937733 /nfs/dbraw/zinc/93/77/33/571937733.db2.gz XDCMQJZJINWUNL-QMMMGPOBSA-N 1 1 195.262 2.111 10 0 AEAEMO CCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](C)C1 219776666 571938083 /nfs/dbraw/zinc/93/80/83/571938083.db2.gz CHSOHIRYJOICQH-WDEREUQCSA-N 1 1 196.338 2.001 10 0 AEAEMO CCC[NH2+][C@@H]1CCN(C2CC2)[C@@H](C)C1 219776666 571938086 /nfs/dbraw/zinc/93/80/86/571938086.db2.gz CHSOHIRYJOICQH-WDEREUQCSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[NH2+][C@H]1CC[N@H+]([C@@H](C)CC)C[C@@H]1C 219769625 571938850 /nfs/dbraw/zinc/93/88/50/571938850.db2.gz SQFKWHCJUJIUDH-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@@H+](C)[C@H](C)c1cc(O)cc(O)c1 233971192 571939188 /nfs/dbraw/zinc/93/91/88/571939188.db2.gz XDCMQJZJINWUNL-MRVPVSSYSA-N 1 1 195.262 2.111 10 0 AEAEMO CCC[N@@H+](CCN)CCC1CCCC1 300805638 571941206 /nfs/dbraw/zinc/94/12/06/571941206.db2.gz WHIZFITYQLMUNZ-UHFFFAOYSA-N 1 1 198.354 2.237 10 0 AEAEMO CCCN(CC[NH3+])CCC1CCCC1 300805638 571941208 /nfs/dbraw/zinc/94/12/08/571941208.db2.gz WHIZFITYQLMUNZ-UHFFFAOYSA-N 1 1 198.354 2.237 10 0 AEAEMO CC(C)(C)C[N@@H+](CCCO)C1CCC1 713144391 571942474 /nfs/dbraw/zinc/94/24/74/571942474.db2.gz BDSDTERATFUZBP-UHFFFAOYSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)(C)C[N@H+]1CCCC[C@@H]1CCO 713145732 571943238 /nfs/dbraw/zinc/94/32/38/571943238.db2.gz MNEYYZXFDILNEM-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)(C)C[N@H+]1CCCC[C@H]1CCO 713145733 571943459 /nfs/dbraw/zinc/94/34/59/571943459.db2.gz MNEYYZXFDILNEM-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CC[N@@H+](C)[C@]1(CN)CC(C)(C)C[C@@H]1C 233974003 571943829 /nfs/dbraw/zinc/94/38/29/571943829.db2.gz ZEAVWFSKGBHNAW-JQWIXIFHSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)(C)C[N@H+]1CCCCC[C@@H]1CO 713146012 571943838 /nfs/dbraw/zinc/94/38/38/571943838.db2.gz PJXDJNVZXODTJL-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)(C)C[N@H+]1CCCCC[C@H]1CO 713146014 571944079 /nfs/dbraw/zinc/94/40/79/571944079.db2.gz PJXDJNVZXODTJL-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CC[NH2+][C@H](C)C1(N)CCC(CC)CC1 687686770 571946536 /nfs/dbraw/zinc/94/65/36/571946536.db2.gz UWZZHRXCGPWVIH-VOMCLLRMSA-N 1 1 198.354 2.282 10 0 AEAEMO C[C@H]1CCC[N@@H+](CCC2(O)CC2)[C@H]1C 334391176 571944618 /nfs/dbraw/zinc/94/46/18/571944618.db2.gz UTICXDXRSDFLQK-QWRGUYRKSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@@H+](C1CCCC1)[C@H]1CCCOC1 334254821 571944694 /nfs/dbraw/zinc/94/46/94/571944694.db2.gz KXITXHQTGWCYMP-NSHDSACASA-N 1 1 183.295 2.040 10 0 AEAEMO C[C@@H]1CCC[C@H](CO)[N@H+]1C1CCCC1 335642492 571944724 /nfs/dbraw/zinc/94/47/24/571944724.db2.gz YOBMTHOPRZKGGQ-ZYHUDNBSSA-N 1 1 197.322 2.164 10 0 AEAEMO CC1(C[N@@H+]2C[C@H](F)[C@H](F)C2)CCC1 334810064 571944884 /nfs/dbraw/zinc/94/48/84/571944884.db2.gz IGNDLIJSOMGIKY-DTORHVGOSA-N 1 1 189.249 2.168 10 0 AEAEMO CC1(C[N@H+]2C[C@H](F)[C@H](F)C2)CCC1 334810064 571944888 /nfs/dbraw/zinc/94/48/88/571944888.db2.gz IGNDLIJSOMGIKY-DTORHVGOSA-N 1 1 189.249 2.168 10 0 AEAEMO C[C@H]1CCC[C@@H](CO)[N@H+]1C1CCCC1 335642490 571944904 /nfs/dbraw/zinc/94/49/04/571944904.db2.gz YOBMTHOPRZKGGQ-JQWIXIFHSA-N 1 1 197.322 2.164 10 0 AEAEMO C[N@@H+](C1CCCC1)[C@@H]1CCCOC1 334254819 571944911 /nfs/dbraw/zinc/94/49/11/571944911.db2.gz KXITXHQTGWCYMP-LLVKDONJSA-N 1 1 183.295 2.040 10 0 AEAEMO C[C@@H]1CC[C@@H](C)[N@@H+](CCC2(O)CC2)C1 334380431 571945137 /nfs/dbraw/zinc/94/51/37/571945137.db2.gz INOZPXBLCYESSS-GHMZBOCLSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1OCC[N@@H+](C2CCCC2)[C@@H]1C 335715793 571945231 /nfs/dbraw/zinc/94/52/31/571945231.db2.gz WROQVQYCWYSTJC-NXEZZACHSA-N 1 1 183.295 2.038 10 0 AEAEMO C[C@H]1[C@@H](CO)CCC[N@H+]1C1CCCC1 335176362 571945257 /nfs/dbraw/zinc/94/52/57/571945257.db2.gz GESHWIJHUQKRMV-WDEREUQCSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1CCC[N@@H+](C2CCCC2)[C@@H]1CO 335642477 571945272 /nfs/dbraw/zinc/94/52/72/571945272.db2.gz PVYDWSPFSMMFRK-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1CC[C@@H]([N@H+]2CCOCC23CC3)C1 334205178 571945415 /nfs/dbraw/zinc/94/54/15/571945415.db2.gz XJLUWCDQYSOYCG-GHMZBOCLSA-N 1 1 195.306 2.040 10 0 AEAEMO C[C@H]1CC[C@@H]([N@@H+](C)C2(CO)CCC2)C1 335738425 571945514 /nfs/dbraw/zinc/94/55/14/571945514.db2.gz QRVSJWTXMNYYQP-WDEREUQCSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1CC[C@@H]([N@H+]2CCOCC23CC3)C1 334205181 571945523 /nfs/dbraw/zinc/94/55/23/571945523.db2.gz XJLUWCDQYSOYCG-WDEREUQCSA-N 1 1 195.306 2.040 10 0 AEAEMO C[C@H]1[C@@H](C)OCC[N@H+]1C1CCCC1 335715795 571945595 /nfs/dbraw/zinc/94/55/95/571945595.db2.gz WROQVQYCWYSTJC-VHSXEESVSA-N 1 1 183.295 2.038 10 0 AEAEMO C[C@H]1[C@H](CO)CCC[N@H+]1C1CCCC1 335176361 571945614 /nfs/dbraw/zinc/94/56/14/571945614.db2.gz GESHWIJHUQKRMV-QWRGUYRKSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H]1CO[C@H](C)C[N@H+]1C1CCCC1 334199788 571945695 /nfs/dbraw/zinc/94/56/95/571945695.db2.gz NQGGTQGCAFVGFX-GHMZBOCLSA-N 1 1 197.322 2.428 10 0 AEAEMO C[C@@H]1[C@H](CO)CCC[N@H+]1C1CCCC1 335176360 571945702 /nfs/dbraw/zinc/94/57/02/571945702.db2.gz GESHWIJHUQKRMV-MNOVXSKESA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1CC[C@H]([N@H+]2CCOCC23CC3)C1 334205179 571945792 /nfs/dbraw/zinc/94/57/92/571945792.db2.gz XJLUWCDQYSOYCG-MNOVXSKESA-N 1 1 195.306 2.040 10 0 AEAEMO C[C@H]1CC[C@H](C)[N@@H+](CCC2(O)CC2)C1 334380435 571945854 /nfs/dbraw/zinc/94/58/54/571945854.db2.gz INOZPXBLCYESSS-QWRGUYRKSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1CC[C@H]([N@@H+](C)C2(CO)CCC2)C1 335738424 571945928 /nfs/dbraw/zinc/94/59/28/571945928.db2.gz QRVSJWTXMNYYQP-QWRGUYRKSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)[C@H]1C[N@H+](C2CCC2)CCCO1 334202237 571945952 /nfs/dbraw/zinc/94/59/52/571945952.db2.gz OTSNOMXSVFXGDB-GFCCVEGCSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H]1OCC[N@@H+](C2CCCC2)[C@@H]1C 335715796 571945966 /nfs/dbraw/zinc/94/59/66/571945966.db2.gz WROQVQYCWYSTJC-ZJUUUORDSA-N 1 1 183.295 2.038 10 0 AEAEMO C[C@]1(CO)CCCC[N@H+]1CC1CCC1 334474265 571945998 /nfs/dbraw/zinc/94/59/98/571945998.db2.gz KPPVKJRRRSALAV-GFCCVEGCSA-N 1 1 197.322 2.023 10 0 AEAEMO C[C@@H]1OCC[N@@H+](C2CCCC2)[C@H]1C 335715794 571946059 /nfs/dbraw/zinc/94/60/59/571946059.db2.gz WROQVQYCWYSTJC-UWVGGRQHSA-N 1 1 183.295 2.038 10 0 AEAEMO C[C@H]1CCC[C@H](CO)[N@H+]1C1CCCC1 335642489 571946076 /nfs/dbraw/zinc/94/60/76/571946076.db2.gz YOBMTHOPRZKGGQ-CMPLNLGQSA-N 1 1 197.322 2.164 10 0 AEAEMO C[C@H]1[C@H](C)CCC[N@H+]1CCC1(O)CC1 334391174 571946132 /nfs/dbraw/zinc/94/61/32/571946132.db2.gz UTICXDXRSDFLQK-MNOVXSKESA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1CCC(C)(C)[N@H+]1CCC1(O)CC1 334692379 571946159 /nfs/dbraw/zinc/94/61/59/571946159.db2.gz NTNBQAWTGYBHSY-SNVBAGLBSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[C@@H]1CO[C@@H](C)C[N@H+]1C1CCCC1 334199792 571946227 /nfs/dbraw/zinc/94/62/27/571946227.db2.gz NQGGTQGCAFVGFX-WDEREUQCSA-N 1 1 197.322 2.428 10 0 AEAEMO CC[C@H]1CO[C@@H](C)C[N@H+]1C1CCCC1 334199791 571946230 /nfs/dbraw/zinc/94/62/30/571946230.db2.gz NQGGTQGCAFVGFX-QWRGUYRKSA-N 1 1 197.322 2.428 10 0 AEAEMO C[C@H]1CCC[N@@H+](C2CCCC2)[C@@H]1CO 335642474 571946312 /nfs/dbraw/zinc/94/63/12/571946312.db2.gz PVYDWSPFSMMFRK-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)[C@H]([NH3+])c1nnc(C(C)(C)C)o1 11586324 571946421 /nfs/dbraw/zinc/94/64/21/571946421.db2.gz YLHKGJSOIHUMJG-ZETCQYMHSA-N 1 1 197.282 2.023 10 0 AEAEMO C[C@]1(CO)CCCC[N@H+]1C1CCCC1 335079083 571946451 /nfs/dbraw/zinc/94/64/51/571946451.db2.gz MVXKJQYAWMXVQS-GFCCVEGCSA-N 1 1 197.322 2.166 10 0 AEAEMO C[C@@H]1CC[C@@H]([N@@H+](C)C2(CO)CCC2)C1 335738422 571946667 /nfs/dbraw/zinc/94/66/67/571946667.db2.gz QRVSJWTXMNYYQP-GHMZBOCLSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H](C(C)C)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 219846060 571946687 /nfs/dbraw/zinc/94/66/87/571946687.db2.gz CBJUEORXEXLBLM-TUAOUCFPSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H]1CC[C@H]([N@H+]2CCOCC23CC3)C1 334205180 571946698 /nfs/dbraw/zinc/94/66/98/571946698.db2.gz XJLUWCDQYSOYCG-QWRGUYRKSA-N 1 1 195.306 2.040 10 0 AEAEMO CC[C@H]1CO[C@H](C)C[N@H+]1C1CCCC1 334199789 571946732 /nfs/dbraw/zinc/94/67/32/571946732.db2.gz NQGGTQGCAFVGFX-MNOVXSKESA-N 1 1 197.322 2.428 10 0 AEAEMO C[C@@H]1CCC[C@@H](CO)[N@H+]1C1CCCC1 335642491 571946741 /nfs/dbraw/zinc/94/67/41/571946741.db2.gz YOBMTHOPRZKGGQ-PWSUYJOCSA-N 1 1 197.322 2.164 10 0 AEAEMO C[C@@H]1CC[C@H]([N@@H+](C)C2(CO)CCC2)C1 335738423 571946806 /nfs/dbraw/zinc/94/68/06/571946806.db2.gz QRVSJWTXMNYYQP-MNOVXSKESA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@]1(C)COCC[N@H+]1C1CCCC1 335642414 571946858 /nfs/dbraw/zinc/94/68/58/571946858.db2.gz AEHCRJUQKOWBKS-GFCCVEGCSA-N 1 1 197.322 2.430 10 0 AEAEMO C[C@@H]1CCC[N@@H+](C2CCCC2)[C@H]1CO 335642476 571946886 /nfs/dbraw/zinc/94/68/86/571946886.db2.gz PVYDWSPFSMMFRK-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[NH2+][C@@H](C)C1(N)CCC(CC)CC1 687686769 571947078 /nfs/dbraw/zinc/94/70/78/571947078.db2.gz UWZZHRXCGPWVIH-UNXYVOJBSA-N 1 1 198.354 2.282 10 0 AEAEMO CC(C)[C@@H]1C[N@H+](C2CCC2)CCCO1 334202238 571947083 /nfs/dbraw/zinc/94/70/83/571947083.db2.gz OTSNOMXSVFXGDB-LBPRGKRZSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@]1(CO)CCC[N@H+]1C1CCCC1 335381740 571947121 /nfs/dbraw/zinc/94/71/21/571947121.db2.gz ZTJVOBFRYPKWTD-GFCCVEGCSA-N 1 1 197.322 2.166 10 0 AEAEMO C[C@@H]1CC[N@@H+](CCC2(O)CC2)[C@H](C)C1 335093094 571947129 /nfs/dbraw/zinc/94/71/29/571947129.db2.gz FXINBTKCLKLCHM-GHMZBOCLSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1[C@@H](CO)CCC[N@H+]1C1CCCC1 335176359 571947010 /nfs/dbraw/zinc/94/70/10/571947010.db2.gz GESHWIJHUQKRMV-GHMZBOCLSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)[N@@H+](C1CCCC1)[C@H]1CCOC1 335835071 571947427 /nfs/dbraw/zinc/94/74/27/571947427.db2.gz VAMPLLFNJKYEPC-LBPRGKRZSA-N 1 1 197.322 2.428 10 0 AEAEMO C[C@H]1CCC[N@@H+](C2CCCC2)[C@H]1CO 335642475 571947560 /nfs/dbraw/zinc/94/75/60/571947560.db2.gz PVYDWSPFSMMFRK-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1CCC(C)(C)[N@H+]1CCC1(O)CC1 334692378 571947598 /nfs/dbraw/zinc/94/75/98/571947598.db2.gz NTNBQAWTGYBHSY-JTQLQIEISA-N 1 1 197.322 2.164 10 0 AEAEMO CC(C)[N@@H+](C1CCCC1)[C@@H]1CCOC1 335835069 571947607 /nfs/dbraw/zinc/94/76/07/571947607.db2.gz VAMPLLFNJKYEPC-GFCCVEGCSA-N 1 1 197.322 2.428 10 0 AEAEMO C[C@@H]1CCC[N@@H+](CCC2(O)CC2)[C@@H]1C 334391172 571947767 /nfs/dbraw/zinc/94/77/67/571947767.db2.gz UTICXDXRSDFLQK-GHMZBOCLSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@]1(CO)CCC[N@H+]1C1CCCC1 335381741 571947806 /nfs/dbraw/zinc/94/78/06/571947806.db2.gz ZTJVOBFRYPKWTD-LBPRGKRZSA-N 1 1 197.322 2.166 10 0 AEAEMO CCC1CCC(N)([C@@H]2CCC[NH2+]2)CC1 687686693 571947881 /nfs/dbraw/zinc/94/78/81/571947881.db2.gz QTFOVXJCRKACEW-CXQJBGSLSA-N 1 1 196.338 2.036 10 0 AEAEMO CC(C)C[NH2+]C[C@H]1CCCCCCN1 300810025 571948135 /nfs/dbraw/zinc/94/81/35/571948135.db2.gz AKPNSGBEIIQFBK-GFCCVEGCSA-N 1 1 198.354 2.154 10 0 AEAEMO CC(C)CNC[C@H]1CCCCCC[NH2+]1 300810025 571948142 /nfs/dbraw/zinc/94/81/42/571948142.db2.gz AKPNSGBEIIQFBK-GFCCVEGCSA-N 1 1 198.354 2.154 10 0 AEAEMO C[C@H]([NH3+])c1nnc(C2CCCCC2)o1 11586047 571948597 /nfs/dbraw/zinc/94/85/97/571948597.db2.gz XIXVRZVGXGXDIS-ZETCQYMHSA-N 1 1 195.266 2.137 10 0 AEAEMO CC(C)C[NH2+]C[C@@H]1CCCCCCN1 300810028 571948693 /nfs/dbraw/zinc/94/86/93/571948693.db2.gz AKPNSGBEIIQFBK-LBPRGKRZSA-N 1 1 198.354 2.154 10 0 AEAEMO CC(C)CNC[C@@H]1CCCCCC[NH2+]1 300810028 571948695 /nfs/dbraw/zinc/94/86/95/571948695.db2.gz AKPNSGBEIIQFBK-LBPRGKRZSA-N 1 1 198.354 2.154 10 0 AEAEMO CCC[C@H]1CCC[N@H+]([C@@H](C)CN)CC1 79304231 571948799 /nfs/dbraw/zinc/94/87/99/571948799.db2.gz BQCQMENJPPKXQR-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H]1CCCN([C@@H](C)C[NH3+])CC1 79304231 571948804 /nfs/dbraw/zinc/94/88/04/571948804.db2.gz BQCQMENJPPKXQR-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC1CCC(N)([C@H]2CCC[NH2+]2)CC1 687686694 571948901 /nfs/dbraw/zinc/94/89/01/571948901.db2.gz QTFOVXJCRKACEW-MOENNCHZSA-N 1 1 196.338 2.036 10 0 AEAEMO CC(C)[C@@H]([NH3+])c1nnc(C(C)(C)C)o1 11586322 571948942 /nfs/dbraw/zinc/94/89/42/571948942.db2.gz YLHKGJSOIHUMJG-SSDOTTSWSA-N 1 1 197.282 2.023 10 0 AEAEMO CCC[C@@H]1CCC[N@H+]([C@@H](C)CN)CC1 79304230 571950176 /nfs/dbraw/zinc/95/01/76/571950176.db2.gz BQCQMENJPPKXQR-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@H]1CCCN([C@@H](C)C[NH3+])CC1 79304230 571950179 /nfs/dbraw/zinc/95/01/79/571950179.db2.gz BQCQMENJPPKXQR-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)(C)C[N@H+]1CC[C@H](O)C(C)(C)C1 713148300 571950402 /nfs/dbraw/zinc/95/04/02/571950402.db2.gz ZQPZMVFTBSOQBN-JTQLQIEISA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)(C)C[N@H+]1CC[C@@H](O)C(C)(C)C1 713148306 571950725 /nfs/dbraw/zinc/95/07/25/571950725.db2.gz ZQPZMVFTBSOQBN-SNVBAGLBSA-N 1 1 199.338 2.125 10 0 AEAEMO C=Cn1cc[nH+]c1C(C)C 34402790 571952026 /nfs/dbraw/zinc/95/20/26/571952026.db2.gz FIUXTSCOSDLSOR-UHFFFAOYSA-N 1 1 136.198 2.107 10 0 AEAEMO CC[C@H](C)[C@@](C)(N)[C@@H]1CCCCC[NH2+]1 687688427 571956243 /nfs/dbraw/zinc/95/62/43/571956243.db2.gz MBEGNTQRGJQDAT-SDDRHHMPSA-N 1 1 198.354 2.282 10 0 AEAEMO N=C1NC(=[NH2+])c2c1ccc1ccccc21 113908743 571956545 /nfs/dbraw/zinc/95/65/45/571956545.db2.gz DIHHYXHEFLWGGP-UHFFFAOYSA-N 1 1 195.225 2.094 10 0 AEAEMO N=C1NC(=[NH2+])c2ccc3ccccc3c21 113908743 571956549 /nfs/dbraw/zinc/95/65/49/571956549.db2.gz DIHHYXHEFLWGGP-UHFFFAOYSA-N 1 1 195.225 2.094 10 0 AEAEMO CC[C@H](C)[C@](C)(N)[C@H]1CCCCC[NH2+]1 687688429 571957358 /nfs/dbraw/zinc/95/73/58/571957358.db2.gz MBEGNTQRGJQDAT-TUAOUCFPSA-N 1 1 198.354 2.282 10 0 AEAEMO CC[C@H](C)[C@](C)(N)[C@@H]1CCCCC[NH2+]1 687688428 571957229 /nfs/dbraw/zinc/95/72/29/571957229.db2.gz MBEGNTQRGJQDAT-SRVKXCTJSA-N 1 1 198.354 2.282 10 0 AEAEMO CC[C@H](C)[C@@](C)(N)[C@H]1CCCCC[NH2+]1 687688426 571957292 /nfs/dbraw/zinc/95/72/92/571957292.db2.gz MBEGNTQRGJQDAT-QJPTWQEYSA-N 1 1 198.354 2.282 10 0 AEAEMO CC[N@@H+](C[C@@H](O)C1CCCC1)C(C)C 158403456 571957517 /nfs/dbraw/zinc/95/75/17/571957517.db2.gz DWDFCSFTTJEMEO-GFCCVEGCSA-N 1 1 199.338 2.268 10 0 AEAEMO C[NH2+][C@H](CCC1CC1)C(F)F 234468900 571957581 /nfs/dbraw/zinc/95/75/81/571957581.db2.gz OTYFSJKUGDVKLD-SSDOTTSWSA-N 1 1 163.211 2.030 10 0 AEAEMO CCC(N)(CC)[C@H]1CCCCC[NH2+]1 687688507 571959046 /nfs/dbraw/zinc/95/90/46/571959046.db2.gz RZGINDXNBKOXRF-SNVBAGLBSA-N 1 1 184.327 2.036 10 0 AEAEMO CCC(N)(CC)[C@@H]1CCCCC[NH2+]1 687688506 571959134 /nfs/dbraw/zinc/95/91/34/571959134.db2.gz RZGINDXNBKOXRF-JTQLQIEISA-N 1 1 184.327 2.036 10 0 AEAEMO CC[N@@H+](CCN)[C@@H]1[C@@H](C)CCC[C@H]1C 300818136 571961057 /nfs/dbraw/zinc/96/10/57/571961057.db2.gz MJWHBDPNWXSKGK-GDNZZTSVSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CC[N@H+]([C@@H]2CCCCCC2=O)C1 40717085 571962307 /nfs/dbraw/zinc/96/23/07/571962307.db2.gz ORUTWMCJZSURIQ-WDEREUQCSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@@H]1CC[N@H+]([C@@H]2CCCCCC2=O)C1 40717084 571962701 /nfs/dbraw/zinc/96/27/01/571962701.db2.gz ORUTWMCJZSURIQ-GHMZBOCLSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC[N@H+]1CCc2ccc(N)cc2C1 32008331 571962823 /nfs/dbraw/zinc/96/28/23/571962823.db2.gz CCSDPWNYFOXTRO-UHFFFAOYSA-N 1 1 190.290 2.037 10 0 AEAEMO CC1CCC([N@H+](CCN)C(C)C)CC1 68606122 571963413 /nfs/dbraw/zinc/96/34/13/571963413.db2.gz QKRJDBTVWCMACY-UHFFFAOYSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H](c1ccc(N)cc1)[N@@H+](C)C1CC1 40908781 571964707 /nfs/dbraw/zinc/96/47/07/571964707.db2.gz YZXCBRIHLUOGFD-SECBINFHSA-N 1 1 190.290 2.424 10 0 AEAEMO c1ccc2c(c1)CC(c1[nH]cc[nH+]1)C2 40846218 571964789 /nfs/dbraw/zinc/96/47/89/571964789.db2.gz KMKRWMBSKDDVCW-UHFFFAOYSA-N 1 1 184.242 2.292 10 0 AEAEMO C[C@H](c1cccc(N)c1)[N@@H+](C)C1CC1 40908117 571964845 /nfs/dbraw/zinc/96/48/45/571964845.db2.gz ZYMPGVYCCUTFNQ-SECBINFHSA-N 1 1 190.290 2.424 10 0 AEAEMO CC(C)=CC[NH2+][C@H]1CCC[N@H+](C)CC1 234330400 571964880 /nfs/dbraw/zinc/96/48/80/571964880.db2.gz HOQGAUMLATXTBJ-LBPRGKRZSA-N 1 1 196.338 2.027 10 0 AEAEMO CC(C)=CC[NH2+][C@H]1CCCN(C)CC1 234330400 571964882 /nfs/dbraw/zinc/96/48/82/571964882.db2.gz HOQGAUMLATXTBJ-LBPRGKRZSA-N 1 1 196.338 2.027 10 0 AEAEMO C[C@@H](c1cccc(N)c1)[N@@H+](C)C1CC1 40908116 571964951 /nfs/dbraw/zinc/96/49/51/571964951.db2.gz ZYMPGVYCCUTFNQ-VIFPVBQESA-N 1 1 190.290 2.424 10 0 AEAEMO C[C@@H](c1ccc(N)cc1)[N@@H+](C)C1CC1 40908780 571965447 /nfs/dbraw/zinc/96/54/47/571965447.db2.gz YZXCBRIHLUOGFD-VIFPVBQESA-N 1 1 190.290 2.424 10 0 AEAEMO CC(C)=Cc1cc(C)cc(N)[nH+]1 40917904 571965525 /nfs/dbraw/zinc/96/55/25/571965525.db2.gz BHPPONCQQUIFAK-UHFFFAOYSA-N 1 1 162.236 2.395 10 0 in-vivo AEAEMO CC(=O)[C@H](C)[N@H+](CCC(C)C)C1CC1 109277514 571967360 /nfs/dbraw/zinc/96/73/60/571967360.db2.gz UKNTZJRONOPUAE-JTQLQIEISA-N 1 1 197.322 2.474 10 0 AEAEMO C[C@H]1CCCC[N@H+]1[C@@H](CN)C(C)(C)C 41051493 571967976 /nfs/dbraw/zinc/96/79/76/571967976.db2.gz QWSSUZNHZZKDPW-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO Cc1[nH]c[nH+]c1C(C)(C)C 32149059 571968063 /nfs/dbraw/zinc/96/80/63/571968063.db2.gz KPBRAQDZLQTFOD-UHFFFAOYSA-N 1 1 138.214 2.016 10 0 AEAEMO Cc1[nH+]c[nH]c1C(C)(C)C 32149059 571968066 /nfs/dbraw/zinc/96/80/66/571968066.db2.gz KPBRAQDZLQTFOD-UHFFFAOYSA-N 1 1 138.214 2.016 10 0 AEAEMO C[N@@H+](CC1(O)CCC1)C1CC(C)(C)C1 687816825 571968272 /nfs/dbraw/zinc/96/82/72/571968272.db2.gz DWHZYUFRZFEWIL-UHFFFAOYSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1CCC[N@H+]([C@@H](CN)C(C)(C)C)C1 41051502 571968645 /nfs/dbraw/zinc/96/86/45/571968645.db2.gz IUJLPACCBCJQDD-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCCCn1c[nH+]cc1C 32167282 571969032 /nfs/dbraw/zinc/96/90/32/571969032.db2.gz VNGZUUNTYHPODP-UHFFFAOYSA-N 1 1 152.241 2.382 10 0 AEAEMO CC(=O)[C@@H](C)[N@H+](CCC(C)C)C1CC1 109277517 571969151 /nfs/dbraw/zinc/96/91/51/571969151.db2.gz UKNTZJRONOPUAE-SNVBAGLBSA-N 1 1 197.322 2.474 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1[C@@H](CN)C(C)(C)C 41051492 571969190 /nfs/dbraw/zinc/96/91/90/571969190.db2.gz QWSSUZNHZZKDPW-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]1CCC[N@H+]([C@@H](CN)C(C)(C)C)C1 41051501 571969404 /nfs/dbraw/zinc/96/94/04/571969404.db2.gz IUJLPACCBCJQDD-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO CCc1c[nH+]c(C)cc1C 32166583 571969539 /nfs/dbraw/zinc/96/95/39/571969539.db2.gz HDNSOESVSNPVNA-UHFFFAOYSA-N 1 1 135.210 2.261 10 0 AEAEMO CC(C)CC[N@H+](C1CC1)[C@@H](C)[C@@H](C)N 109274410 571969852 /nfs/dbraw/zinc/96/98/52/571969852.db2.gz IDCAWHOKPQCTPY-MNOVXSKESA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)CCN(C1CC1)[C@@H](C)[C@@H](C)[NH3+] 109274410 571969853 /nfs/dbraw/zinc/96/98/53/571969853.db2.gz IDCAWHOKPQCTPY-MNOVXSKESA-N 1 1 198.354 2.233 10 0 AEAEMO CCC[C@H](C)[N@H+](C)[C@@H]1CNC[C@@H](C)C1 227937522 571969927 /nfs/dbraw/zinc/96/99/27/571969927.db2.gz JRCKLLYCHPQOLX-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@H]1CNC[C@@H](C)C1 227937522 571969929 /nfs/dbraw/zinc/96/99/29/571969929.db2.gz JRCKLLYCHPQOLX-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)C[NH2+]C[C@H]1CCCCCN1 81038783 571970535 /nfs/dbraw/zinc/97/05/35/571970535.db2.gz BKUGTDOMJVTDPI-NWDGAFQWSA-N 1 1 198.354 2.154 10 0 AEAEMO CC[C@]1(O)CCC[N@@H+](CC(C)(C)C)C1 713168074 571970882 /nfs/dbraw/zinc/97/08/82/571970882.db2.gz URCGXGVNNLOOML-LBPRGKRZSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)(C)C[NH2+]C[C@H]1CCCCCN1 81038204 571971065 /nfs/dbraw/zinc/97/10/65/571971065.db2.gz GRYYXKPVYXGQLN-LLVKDONJSA-N 1 1 198.354 2.154 10 0 AEAEMO CC(C)(C)CNC[C@H]1CCCCC[NH2+]1 81038204 571971069 /nfs/dbraw/zinc/97/10/69/571971069.db2.gz GRYYXKPVYXGQLN-LLVKDONJSA-N 1 1 198.354 2.154 10 0 AEAEMO CC[C@H](CN)[N@@H+](CCC(C)C)C1CC1 109273044 571971458 /nfs/dbraw/zinc/97/14/58/571971458.db2.gz KWJQLXWCJQBBKI-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C[NH3+])N(CCC(C)C)C1CC1 109273044 571971460 /nfs/dbraw/zinc/97/14/60/571971460.db2.gz KWJQLXWCJQBBKI-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](CN)[N@@H+](CCC(C)C)C1CC1 109273042 571971865 /nfs/dbraw/zinc/97/18/65/571971865.db2.gz KWJQLXWCJQBBKI-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C[NH3+])N(CCC(C)C)C1CC1 109273042 571971868 /nfs/dbraw/zinc/97/18/68/571971868.db2.gz KWJQLXWCJQBBKI-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO C[N@H+]1CCC[C@@](O)(CCC2CC2)CC1 234332836 571971739 /nfs/dbraw/zinc/97/17/39/571971739.db2.gz JCULWNQWYXMPHU-GFCCVEGCSA-N 1 1 197.322 2.023 10 0 AEAEMO CC(C)CC[N@@H+](C1CC1)C(C)(C)CN 109273265 571971762 /nfs/dbraw/zinc/97/17/62/571971762.db2.gz UOGSLHCYWZHGBK-UHFFFAOYSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCN(C1CC1)C(C)(C)C[NH3+] 109273265 571971765 /nfs/dbraw/zinc/97/17/65/571971765.db2.gz UOGSLHCYWZHGBK-UHFFFAOYSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]([NH3+])CN(CCC(C)C)C1CC1 109279804 571972463 /nfs/dbraw/zinc/97/24/63/571972463.db2.gz SVWZUZWSFZUJCX-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](N)C[N@H+](CCC(C)C)C1CC1 109279804 571972465 /nfs/dbraw/zinc/97/24/65/571972465.db2.gz SVWZUZWSFZUJCX-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](N)C[N@@H+](CCC(C)C)C1CC1 109279804 571972470 /nfs/dbraw/zinc/97/24/70/571972470.db2.gz SVWZUZWSFZUJCX-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)C[NH2+]C[C@@H]1CCCCCN1 81038777 571972988 /nfs/dbraw/zinc/97/29/88/571972988.db2.gz BKUGTDOMJVTDPI-NEPJUHHUSA-N 1 1 198.354 2.154 10 0 AEAEMO CC[C@@H]([NH3+])CN(CCC(C)C)C1CC1 109279805 571973303 /nfs/dbraw/zinc/97/33/03/571973303.db2.gz SVWZUZWSFZUJCX-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](N)C[N@H+](CCC(C)C)C1CC1 109279805 571973306 /nfs/dbraw/zinc/97/33/06/571973306.db2.gz SVWZUZWSFZUJCX-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](N)C[N@@H+](CCC(C)C)C1CC1 109279805 571973309 /nfs/dbraw/zinc/97/33/09/571973309.db2.gz SVWZUZWSFZUJCX-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO Nc1cc2cc(C3CCC3)[nH]c2c[nH+]1 139781251 571973715 /nfs/dbraw/zinc/97/37/15/571973715.db2.gz QIWJYVADJJXDMF-UHFFFAOYSA-N 1 1 187.246 2.413 10 0 AEAEMO [NH3+][C@@H]1C(=O)c2cccc3cccc1c23 32222252 571973727 /nfs/dbraw/zinc/97/37/27/571973727.db2.gz AUHZCMLIXMOZLM-NSHDSACASA-N 1 1 183.210 2.036 10 0 AEAEMO C[C@@H]1C[C@H](O)[C@@H]2CCCC[C@@]2(C)[N@H+]1C 32222056 571973763 /nfs/dbraw/zinc/97/37/63/571973763.db2.gz GACDXECMLYJONU-NOOOWODRSA-N 1 1 197.322 2.020 10 0 AEAEMO CC[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)NC1 212364291 571973988 /nfs/dbraw/zinc/97/39/88/571973988.db2.gz XANORLNEXQGJCW-QWRGUYRKSA-N 1 1 198.354 2.153 10 0 AEAEMO CC(C)[C@@H](C)C[NH2+]CC1(N)CCCC1 81068482 571975137 /nfs/dbraw/zinc/97/51/37/571975137.db2.gz VUXXBIUABOSIHR-NSHDSACASA-N 1 1 198.354 2.140 10 0 AEAEMO CC[N@@H+](CCN)[C@H]1CCCC(C)(C)C1 300828277 571975934 /nfs/dbraw/zinc/97/59/34/571975934.db2.gz OCDUXQPXZCXPJO-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)[C@H](C)C[NH2+]CC1(N)CCCC1 81068487 571975544 /nfs/dbraw/zinc/97/55/44/571975544.db2.gz VUXXBIUABOSIHR-LLVKDONJSA-N 1 1 198.354 2.140 10 0 AEAEMO Cc1nc(C[NH2+]C[C@@H](C)C(C)C)c[nH]1 81047539 571975559 /nfs/dbraw/zinc/97/55/59/571975559.db2.gz OMIDLGFSGGPZQZ-SECBINFHSA-N 1 1 195.310 2.100 10 0 AEAEMO C[C@H]1CC([N@@H+](C)CCCO)C[C@H](C)C1 300828070 571976065 /nfs/dbraw/zinc/97/60/65/571976065.db2.gz NYVXLGLDHBWMQS-GHMZBOCLSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H]1C[C@@H](C)C[C@H]([N@@H+](C)CCCO)C1 300828067 571976670 /nfs/dbraw/zinc/97/66/70/571976670.db2.gz NYVXLGLDHBWMQS-GDNZZTSVSA-N 1 1 199.338 2.125 10 0 AEAEMO CCCC[N@@H+](C)[C@H]1CCNCC1(C)C 300828142 571976746 /nfs/dbraw/zinc/97/67/46/571976746.db2.gz JVHRZGPTJGOVFQ-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[N@@H+](C)[C@@H]1CC[NH2+]CC1(C)C 300828139 571976970 /nfs/dbraw/zinc/97/69/70/571976970.db2.gz JVHRZGPTJGOVFQ-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[N@H+](C)[C@@H]1CCNCC1(C)C 300828139 571976973 /nfs/dbraw/zinc/97/69/73/571976973.db2.gz JVHRZGPTJGOVFQ-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[N@@H+](C)[C@@H]1CCNCC1(C)C 300828139 571976977 /nfs/dbraw/zinc/97/69/77/571976977.db2.gz JVHRZGPTJGOVFQ-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO C/C=C/C[N@H+]1CCC[NH2+][C@@](C)(CC)C1 233989999 571977008 /nfs/dbraw/zinc/97/70/08/571977008.db2.gz ULOYCWWADTYYCL-FUEXJSSKSA-N 1 1 196.338 2.027 10 0 AEAEMO C/C=C/CN1CCC[NH2+][C@@](C)(CC)C1 233989999 571977010 /nfs/dbraw/zinc/97/70/10/571977010.db2.gz ULOYCWWADTYYCL-FUEXJSSKSA-N 1 1 196.338 2.027 10 0 AEAEMO CC[C@H](N)[C@@H](C)[N@@H+](C)CCCC1CC1 400678055 571977126 /nfs/dbraw/zinc/97/71/26/571977126.db2.gz SHDQFWLGAKNRPT-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]([NH3+])[C@@H](C)N(C)CCCC1CC1 400678055 571977128 /nfs/dbraw/zinc/97/71/28/571977128.db2.gz SHDQFWLGAKNRPT-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO C/C=C/C[N@H+]1C[C@](C)(CC)NC[C@@H]1C 233990116 571977138 /nfs/dbraw/zinc/97/71/38/571977138.db2.gz CWVWZRPURBVEQJ-YILIYONBSA-N 1 1 196.338 2.025 10 0 AEAEMO C/C=C/C[N@@H+]1C[C@](C)(CC)NC[C@@H]1C 233990116 571977139 /nfs/dbraw/zinc/97/71/39/571977139.db2.gz CWVWZRPURBVEQJ-YILIYONBSA-N 1 1 196.338 2.025 10 0 AEAEMO CC(C)(C)c1cc2cc(N)[nH+]cc2[nH]1 139868052 571977642 /nfs/dbraw/zinc/97/76/42/571977642.db2.gz SRMHJURJTULIRE-UHFFFAOYSA-N 1 1 189.262 2.443 10 0 AEAEMO CC(C)C[C@H](C)C[N@@H+]1CCCC(=O)C1 300833998 571980008 /nfs/dbraw/zinc/98/00/08/571980008.db2.gz CKPSTQWBWWOCMJ-NSHDSACASA-N 1 1 197.322 2.334 10 0 AEAEMO CC(C)C[C@H](C)C[N@H+]1CCCC(=O)C1 300833998 571980011 /nfs/dbraw/zinc/98/00/11/571980011.db2.gz CKPSTQWBWWOCMJ-NSHDSACASA-N 1 1 197.322 2.334 10 0 AEAEMO CC[N@@H+](CCN)[C@H]1CC[C@@H](C)[C@@H](C)C1 221037150 571980673 /nfs/dbraw/zinc/98/06/73/571980673.db2.gz NHVSTYQHVGVIBM-WOPDTQHZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](CCN)[C@@H]1C[C@H](C)CC[C@@H]1C 300841028 571980375 /nfs/dbraw/zinc/98/03/75/571980375.db2.gz QTDZKONJIRHOKH-GRYCIOLGSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](CCN)[C@H]1CC(C)(C)C[C@@H]1C 300839431 571980795 /nfs/dbraw/zinc/98/07/95/571980795.db2.gz QKFTWXIZSCBNDU-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO Cc1nc(C[NH3+])oc1-c1ccccc1 41204139 571981612 /nfs/dbraw/zinc/98/16/12/571981612.db2.gz SYHPEEDAXRXTEN-UHFFFAOYSA-N 1 1 188.230 2.109 10 0 AEAEMO CC[N@@H+](CCN)[C@@H]1CC[C@H](C)C[C@@H]1C 300838056 571981923 /nfs/dbraw/zinc/98/19/23/571981923.db2.gz QDNXNKIHBIKERM-SDDRHHMPSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](CCN)[C@H]1CC(C)(C)C[C@H]1C 300839430 571982501 /nfs/dbraw/zinc/98/25/01/571982501.db2.gz QKFTWXIZSCBNDU-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@H](C)C[NH2+]Cc1c[nH]cn1 300840198 571982035 /nfs/dbraw/zinc/98/20/35/571982035.db2.gz DDDOMWUDMISHTJ-JTQLQIEISA-N 1 1 195.310 2.182 10 0 AEAEMO CC[N@@H+](CCN)[C@@H]1CC[C@@H](C)C[C@@H]1C 300838048 571982055 /nfs/dbraw/zinc/98/20/55/571982055.db2.gz QDNXNKIHBIKERM-GRYCIOLGSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](CCN)[C@@H]1C[C@H](C)CC[C@H]1C 300841030 571982076 /nfs/dbraw/zinc/98/20/76/571982076.db2.gz QTDZKONJIRHOKH-IJLUTSLNSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](CCN)[C@@H]1CC(C)(C)C[C@@H]1C 300839432 571982135 /nfs/dbraw/zinc/98/21/35/571982135.db2.gz QKFTWXIZSCBNDU-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](CCN)[C@@H]1CC[C@@H](C)C[C@H]1C 300838051 571981987 /nfs/dbraw/zinc/98/19/87/571981987.db2.gz QDNXNKIHBIKERM-IJLUTSLNSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@@H](C)C[NH2+]Cc1c[nH]cn1 300840199 571982447 /nfs/dbraw/zinc/98/24/47/571982447.db2.gz DDDOMWUDMISHTJ-SNVBAGLBSA-N 1 1 195.310 2.182 10 0 AEAEMO CC(C)CC[N@H+]1CC(C)(C)NC[C@H]1C 41209527 571982761 /nfs/dbraw/zinc/98/27/61/571982761.db2.gz BCRIUPPWGMAKAO-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)CCN1CC(C)(C)[NH2+]C[C@H]1C 41209527 571982764 /nfs/dbraw/zinc/98/27/64/571982764.db2.gz BCRIUPPWGMAKAO-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO Cc1nc(C[NH3+])oc1-c1cccs1 41206697 571983062 /nfs/dbraw/zinc/98/30/62/571983062.db2.gz AJHPAKMAYVJZOG-UHFFFAOYSA-N 1 1 194.259 2.170 10 0 AEAEMO CCC[N@H+](CC)[C@@H]1CCNCC1(C)C 300845897 571983094 /nfs/dbraw/zinc/98/30/94/571983094.db2.gz MXYXBYVDSZYPAQ-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[N@@H+](CC)[C@@H]1CCNCC1(C)C 300845897 571983096 /nfs/dbraw/zinc/98/30/96/571983096.db2.gz MXYXBYVDSZYPAQ-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)CC[N@H+]1CC(C)(C)NC[C@@H]1C 41209529 571983483 /nfs/dbraw/zinc/98/34/83/571983483.db2.gz BCRIUPPWGMAKAO-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)CCN1CC(C)(C)[NH2+]C[C@@H]1C 41209529 571983484 /nfs/dbraw/zinc/98/34/84/571983484.db2.gz BCRIUPPWGMAKAO-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@H+](CC)[C@H]1CCNCC1(C)C 300845900 571984136 /nfs/dbraw/zinc/98/41/36/571984136.db2.gz MXYXBYVDSZYPAQ-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[N@@H+](CC)[C@H]1CCNCC1(C)C 300845900 571984140 /nfs/dbraw/zinc/98/41/40/571984140.db2.gz MXYXBYVDSZYPAQ-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO C[C@H]([NH3+])c1[nH]ncc1-c1ccccc1 75845368 571984958 /nfs/dbraw/zinc/98/49/58/571984958.db2.gz ZUCMTLFBRWUYSF-QMMMGPOBSA-N 1 1 187.246 2.096 10 0 AEAEMO C[N@H+]1CCC[C@](O)(CCC2CC2)CC1 234340589 571985235 /nfs/dbraw/zinc/98/52/35/571985235.db2.gz JCULWNQWYXMPHU-LBPRGKRZSA-N 1 1 197.322 2.023 10 0 AEAEMO CC(C)=CC[NH2+][C@@H]1CCC[N@H+](C)CC1 234340321 571985429 /nfs/dbraw/zinc/98/54/29/571985429.db2.gz HOQGAUMLATXTBJ-GFCCVEGCSA-N 1 1 196.338 2.027 10 0 AEAEMO CC(C)=CC[NH2+][C@@H]1CCCN(C)CC1 234340321 571985432 /nfs/dbraw/zinc/98/54/32/571985432.db2.gz HOQGAUMLATXTBJ-GFCCVEGCSA-N 1 1 196.338 2.027 10 0 AEAEMO C[NH2+][C@H](Cc1ccsc1)C(F)F 234488765 571985893 /nfs/dbraw/zinc/98/58/93/571985893.db2.gz FBPDHVAWMAMQBQ-SSDOTTSWSA-N 1 1 191.246 2.144 10 0 AEAEMO C[C@H]1CCCC[N@H+]1C1CC1 41362475 571985919 /nfs/dbraw/zinc/98/59/19/571985919.db2.gz URLBJCNBJNRRQK-QMMMGPOBSA-N 1 1 139.242 2.023 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1C1CC1 41362473 571986867 /nfs/dbraw/zinc/98/68/67/571986867.db2.gz URLBJCNBJNRRQK-MRVPVSSYSA-N 1 1 139.242 2.023 10 0 AEAEMO CCCC[N@H+]1CCN[C@H]([C@@H](C)CC)C1 68694182 571986885 /nfs/dbraw/zinc/98/68/85/571986885.db2.gz AVEYVWXMBXKDMN-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCN1CC[NH2+][C@H]([C@@H](C)CC)C1 68694182 571986887 /nfs/dbraw/zinc/98/68/87/571986887.db2.gz AVEYVWXMBXKDMN-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H]1C[N@@H+](CCC(C)C)CCN1 68692451 571987430 /nfs/dbraw/zinc/98/74/30/571987430.db2.gz OOHHUYPLRZPPAZ-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H]1CN(CCC(C)C)CC[NH2+]1 68692451 571987432 /nfs/dbraw/zinc/98/74/32/571987432.db2.gz OOHHUYPLRZPPAZ-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[N@H+]1CCN[C@@H]([C@@H](C)CC)C1 68694184 571988031 /nfs/dbraw/zinc/98/80/31/571988031.db2.gz AVEYVWXMBXKDMN-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCN1CC[NH2+][C@@H]([C@@H](C)CC)C1 68694184 571988033 /nfs/dbraw/zinc/98/80/33/571988033.db2.gz AVEYVWXMBXKDMN-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H]1CN[C@@H](C(C)C)C[N@H+]1CC 68695485 571988642 /nfs/dbraw/zinc/98/86/42/571988642.db2.gz KLRJEJSTPHEUJU-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1C[NH2+][C@@H](C(C)C)CN1CC 68695485 571988646 /nfs/dbraw/zinc/98/86/46/571988646.db2.gz KLRJEJSTPHEUJU-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@H]1C[N@@H+](C)[C@H](c2cccnc2)[C@@H]1C 13738875 571988997 /nfs/dbraw/zinc/98/89/97/571988997.db2.gz YYQLNJQHIZKMRK-UMNHJUIQSA-N 1 1 190.290 2.340 10 0 AEAEMO CCc1cncc([C@H]2CCC[N@H+]2C)c1 13757379 571989067 /nfs/dbraw/zinc/98/90/67/571989067.db2.gz OENQOTXBICIGII-GFCCVEGCSA-N 1 1 190.290 2.411 10 0 AEAEMO CCC[C@@H]([NH3+])[C@H](C)N1CCCCCC1 74236635 571989102 /nfs/dbraw/zinc/98/91/02/571989102.db2.gz QZFCMVPSIIHNES-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO C[C@H]1CC[C@@H](c2cccnc2)[N@H+]1C 13738869 571989268 /nfs/dbraw/zinc/98/92/68/571989268.db2.gz DZBPBWWCIKAMER-ONGXEEELSA-N 1 1 176.263 2.237 10 0 AEAEMO CCCCN1C[C@@H](CCC)[NH2+]C[C@@H]1C 68699905 571989387 /nfs/dbraw/zinc/98/93/87/571989387.db2.gz NSKNDGUFKNVKQG-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]1C[N@@H+](C(C)C)[C@H](CC)CN1 68700120 571989670 /nfs/dbraw/zinc/98/96/70/571989670.db2.gz PJEUAYTTXIQNRB-VXGBXAGGSA-N 1 1 198.354 2.247 10 0 AEAEMO CCCC[N@H+]1C[C@@H](CCC)NC[C@@H]1C 68699905 571989381 /nfs/dbraw/zinc/98/93/81/571989381.db2.gz NSKNDGUFKNVKQG-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]1CN(C(C)C)[C@H](CC)C[NH2+]1 68700120 571989672 /nfs/dbraw/zinc/98/96/72/571989672.db2.gz PJEUAYTTXIQNRB-VXGBXAGGSA-N 1 1 198.354 2.247 10 0 AEAEMO C[C@@H]1CC[C@@H](c2cccnc2)[N@H+]1C 13738868 571989554 /nfs/dbraw/zinc/98/95/54/571989554.db2.gz DZBPBWWCIKAMER-KOLCDFICSA-N 1 1 176.263 2.237 10 0 AEAEMO CCC[C@H]1C[N@@H+](C(C)C)[C@H](CC)CN1 68700122 571989561 /nfs/dbraw/zinc/98/95/61/571989561.db2.gz PJEUAYTTXIQNRB-NWDGAFQWSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@H]1CN(C(C)C)[C@H](CC)C[NH2+]1 68700122 571989563 /nfs/dbraw/zinc/98/95/63/571989563.db2.gz PJEUAYTTXIQNRB-NWDGAFQWSA-N 1 1 198.354 2.247 10 0 AEAEMO CC(C)[C@@H](C)[N@H+]1C[C@@H](C)N[C@@H](C)[C@@H]1C 404293385 571989858 /nfs/dbraw/zinc/98/98/58/571989858.db2.gz VZTSWHKNQPTGOV-KXNHARMFSA-N 1 1 198.354 2.102 10 0 AEAEMO CCC[C@H]1CN[C@@H](C(C)C)C[N@H+]1CC 68695487 571990052 /nfs/dbraw/zinc/99/00/52/571990052.db2.gz KLRJEJSTPHEUJU-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H]1C[NH2+][C@@H](C(C)C)CN1CC 68695487 571990057 /nfs/dbraw/zinc/99/00/57/571990057.db2.gz KLRJEJSTPHEUJU-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[N@H+]1C[C@H](CCC)NC[C@@H]1C 68699903 571990067 /nfs/dbraw/zinc/99/00/67/571990067.db2.gz NSKNDGUFKNVKQG-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCN1C[C@H](CCC)[NH2+]C[C@@H]1C 68699903 571990069 /nfs/dbraw/zinc/99/00/69/571990069.db2.gz NSKNDGUFKNVKQG-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1C[N@@H+](CCC)[C@H](CC)CN1 68700148 571990266 /nfs/dbraw/zinc/99/02/66/571990266.db2.gz WLTVDPORPYLXDM-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1CN(CCC)[C@H](CC)C[NH2+]1 68700148 571990267 /nfs/dbraw/zinc/99/02/67/571990267.db2.gz WLTVDPORPYLXDM-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]1CN[C@H](C(C)C)C[N@H+]1CC 68695482 571990399 /nfs/dbraw/zinc/99/03/99/571990399.db2.gz KLRJEJSTPHEUJU-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1C[NH2+][C@H](C(C)C)CN1CC 68695482 571990401 /nfs/dbraw/zinc/99/04/01/571990401.db2.gz KLRJEJSTPHEUJU-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO COCC[C@H](C)Nc1ccc(C)c[nH+]1 81716884 571990467 /nfs/dbraw/zinc/99/04/67/571990467.db2.gz LPXHPOSHUJRVGU-JTQLQIEISA-N 1 1 194.278 2.227 10 0 AEAEMO C[C@@H]1C[N@@H+](C)[C@H](c2cccnc2)[C@@H]1C 13738874 571990585 /nfs/dbraw/zinc/99/05/85/571990585.db2.gz YYQLNJQHIZKMRK-FOGDFJRCSA-N 1 1 190.290 2.340 10 0 AEAEMO CCc1cncc([C@@H]2CCC[N@H+]2C)c1 13757377 571990823 /nfs/dbraw/zinc/99/08/23/571990823.db2.gz OENQOTXBICIGII-LBPRGKRZSA-N 1 1 190.290 2.411 10 0 AEAEMO CC(=O)[C@@H]1CCC[N@@H+](CC(C)(C)C)C1 713178925 571990837 /nfs/dbraw/zinc/99/08/37/571990837.db2.gz CCFQHQDZOZKDQY-LLVKDONJSA-N 1 1 197.322 2.334 10 0 AEAEMO CC(=O)[C@H]1CCC[N@@H+](CC(C)(C)C)C1 713178927 571991043 /nfs/dbraw/zinc/99/10/43/571991043.db2.gz CCFQHQDZOZKDQY-NSHDSACASA-N 1 1 197.322 2.334 10 0 AEAEMO CCc1ccc([C@@H]2CCC[N@H+]2C)cn1 13819443 571991071 /nfs/dbraw/zinc/99/10/71/571991071.db2.gz WQDQDLHATTVJSW-LBPRGKRZSA-N 1 1 190.290 2.411 10 0 AEAEMO COCC[C@@H](C)Nc1ccc(C)c[nH+]1 81716887 571991533 /nfs/dbraw/zinc/99/15/33/571991533.db2.gz LPXHPOSHUJRVGU-SNVBAGLBSA-N 1 1 194.278 2.227 10 0 AEAEMO C[N@H+]1CC[C@H](CF)[C@H]1c1cccnc1 13738854 571991633 /nfs/dbraw/zinc/99/16/33/571991633.db2.gz PLOSIAMCLIOVAZ-KOLCDFICSA-N 1 1 194.253 2.044 10 0 AEAEMO COCC[C@@H](C)Nc1[nH+]cccc1C 81717425 571991721 /nfs/dbraw/zinc/99/17/21/571991721.db2.gz YNGORAZBXZYUOG-SNVBAGLBSA-N 1 1 194.278 2.227 10 0 AEAEMO COCC[C@H](C)Nc1[nH+]cccc1C 81717422 571991731 /nfs/dbraw/zinc/99/17/31/571991731.db2.gz YNGORAZBXZYUOG-JTQLQIEISA-N 1 1 194.278 2.227 10 0 AEAEMO C[C@H]1C[N@@H+](CC(C)(C)C)C[C@@H](C)C1=O 713178976 571991899 /nfs/dbraw/zinc/99/18/99/571991899.db2.gz DLRZFUMFKWNDRI-AOOOYVTPSA-N 1 1 197.322 2.189 10 0 AEAEMO CC(=O)C[C@@H]1CCC[N@H+]1CC(C)(C)C 713178736 571992230 /nfs/dbraw/zinc/99/22/30/571992230.db2.gz BCIGLSAHVVQXGP-NSHDSACASA-N 1 1 197.322 2.476 10 0 AEAEMO CC[N@@H+](CCN)[C@@H]1CCCCC1(C)C 300863731 571993161 /nfs/dbraw/zinc/99/31/61/571993161.db2.gz VUXAWWDREDMFOV-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[N@@H+](CCN)[C@H]1CCCCC1(C)C 300863733 571994017 /nfs/dbraw/zinc/99/40/17/571994017.db2.gz VUXAWWDREDMFOV-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCCC[N@H+]1CC[C@@H](O)[C@@H]1C 393446739 571994786 /nfs/dbraw/zinc/99/47/86/571994786.db2.gz AZOCGANEGKBUSF-WDEREUQCSA-N 1 1 185.311 2.022 10 0 AEAEMO CCCC[C@@H](C)c1nnc(C[NH2+]C)o1 300872906 571994809 /nfs/dbraw/zinc/99/48/09/571994809.db2.gz FAKDYESMABSDKM-MRVPVSSYSA-N 1 1 197.282 2.083 10 0 AEAEMO C[N@H+]1CC[C@H](CF)[C@@H]1c1cccnc1 13904693 571994891 /nfs/dbraw/zinc/99/48/91/571994891.db2.gz PLOSIAMCLIOVAZ-MWLCHTKSSA-N 1 1 194.253 2.044 10 0 AEAEMO C[N@H+]1CC[C@](O)(CCCC(C)(C)C)C1 300865532 571996084 /nfs/dbraw/zinc/99/60/84/571996084.db2.gz MNQBDIXLBWVYBR-GFCCVEGCSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC(C)(C)C[N@H+]1CCC[C@@](C)(O)C1 713181291 571997306 /nfs/dbraw/zinc/99/73/06/571997306.db2.gz FDZOITQTBCLPOT-GFCCVEGCSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC(C)(C)C[N@H+]1CCC[C@](C)(O)C1 713181294 571997778 /nfs/dbraw/zinc/99/77/78/571997778.db2.gz FDZOITQTBCLPOT-LBPRGKRZSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[N@H+](C(C)C)[C@@H]1CC[C@@H](C)NC1 219953641 571997793 /nfs/dbraw/zinc/99/77/93/571997793.db2.gz KJIOQNZYAURCCW-VXGBXAGGSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@@H]1CC[C@@H](C)NC1 219953641 571997797 /nfs/dbraw/zinc/99/77/97/571997797.db2.gz KJIOQNZYAURCCW-VXGBXAGGSA-N 1 1 198.354 2.247 10 0 AEAEMO C[C@H]1CCNC[C@H](C)[N@H+]1C1CCCC1 219574445 571997950 /nfs/dbraw/zinc/99/79/50/571997950.db2.gz RKFFKARUDYTHSX-QWRGUYRKSA-N 1 1 196.338 2.001 10 0 AEAEMO CCC[N@H+](C(C)C)[C@H]1CC[C@@H](C)NC1 219953687 571998496 /nfs/dbraw/zinc/99/84/96/571998496.db2.gz KJIOQNZYAURCCW-NEPJUHHUSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@H]1CC[C@@H](C)NC1 219953687 571998499 /nfs/dbraw/zinc/99/84/99/571998499.db2.gz KJIOQNZYAURCCW-NEPJUHHUSA-N 1 1 198.354 2.247 10 0 AEAEMO C[N@H+]1CCCC[C@H]1[C@H](O)CC(C)(C)C 713184604 571998605 /nfs/dbraw/zinc/99/86/05/571998605.db2.gz UOOVREZHHWTUDL-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO C[N@H+]1CCCC[C@H]1[C@@H](O)CC(C)(C)C 713184601 571998852 /nfs/dbraw/zinc/99/88/52/571998852.db2.gz UOOVREZHHWTUDL-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@]1(N)CC[N@H+](C2CCCCCC2)C1 219573425 571999025 /nfs/dbraw/zinc/99/90/25/571999025.db2.gz OAGLBCSPPWBTAF-GFCCVEGCSA-N 1 1 196.338 2.132 10 0 AEAEMO [NH3+]CC(F)(F)c1coc2ccccc12 219581188 571999680 /nfs/dbraw/zinc/99/96/80/571999680.db2.gz SUYBGEBILQRQSR-UHFFFAOYSA-N 1 1 197.184 2.483 10 0 AEAEMO CCC[C@H](C)[N@H+](C)[C@@H]1CC[C@@H](C)NC1 219955827 571999976 /nfs/dbraw/zinc/99/99/76/571999976.db2.gz STQRISKPBKAWGE-GRYCIOLGSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@H]1CC[C@@H](C)NC1 219955827 571999978 /nfs/dbraw/zinc/99/99/78/571999978.db2.gz STQRISKPBKAWGE-GRYCIOLGSA-N 1 1 198.354 2.247 10 0 AEAEMO CNC(C)(C)C[NH2+]CC1(C(C)C)CC1 234386436 572000002 /nfs/dbraw/zinc/00/00/02/572000002.db2.gz USFDQUIRVKOJBZ-UHFFFAOYSA-N 1 1 198.354 2.010 10 0 AEAEMO CC(C)C[N@@H+](C[C@@H](N)C1CC1)C(C)C 68895897 572000553 /nfs/dbraw/zinc/00/05/53/572000553.db2.gz MNYDKMXYAXKOAK-GFCCVEGCSA-N 1 1 198.354 2.090 10 0 AEAEMO FC[C@H]1CCC[N@@H+]1CCC(F)(F)F 393449733 572000597 /nfs/dbraw/zinc/00/05/97/572000597.db2.gz CSRJWEBGVWXKBJ-SSDOTTSWSA-N 1 1 199.191 2.373 10 0 AEAEMO FC[C@H]1CCC[N@H+]1CCC(F)(F)F 393449733 572000599 /nfs/dbraw/zinc/00/05/99/572000599.db2.gz CSRJWEBGVWXKBJ-SSDOTTSWSA-N 1 1 199.191 2.373 10 0 AEAEMO CC(C)C[C@@H](C)[N@@H+](C)CC(=O)C1CC1 68895051 572000904 /nfs/dbraw/zinc/00/09/04/572000904.db2.gz IXNDWFMPCVFGOB-SNVBAGLBSA-N 1 1 197.322 2.332 10 0 AEAEMO CC(C)C[N@@H+](CC(=O)C1CC1)C1CC1 68895048 572001375 /nfs/dbraw/zinc/00/13/75/572001375.db2.gz ZQFDFRYSHCTITE-UHFFFAOYSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@@H]([N@@H+](C)C[C@H](N)C1CC1)C(C)(C)C 68896098 572001526 /nfs/dbraw/zinc/00/15/26/572001526.db2.gz FTMHGXNVCIUBTL-KOLCDFICSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@@H](N(C)C[C@H]([NH3+])C1CC1)C(C)(C)C 68896098 572001529 /nfs/dbraw/zinc/00/15/29/572001529.db2.gz FTMHGXNVCIUBTL-KOLCDFICSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC[N@H+](CC(=O)C1CC1)CC1CC1 68894875 572001554 /nfs/dbraw/zinc/00/15/54/572001554.db2.gz CVQIHELEJGXSIJ-UHFFFAOYSA-N 1 1 195.306 2.088 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)CC(=O)C1CC1 68895053 572001762 /nfs/dbraw/zinc/00/17/62/572001762.db2.gz IXNDWFMPCVFGOB-JTQLQIEISA-N 1 1 197.322 2.332 10 0 AEAEMO CC[C@H](C)[N@@H+]1CCCC[C@H]1[C@@H](C)NC 251748331 572001764 /nfs/dbraw/zinc/00/17/64/572001764.db2.gz GTVDOASYEXQRBE-TUAOUCFPSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](C)[N@H+]1CCCC[C@H]1[C@@H](C)NC 251748331 572001766 /nfs/dbraw/zinc/00/17/66/572001766.db2.gz GTVDOASYEXQRBE-TUAOUCFPSA-N 1 1 198.354 2.247 10 0 AEAEMO CC(C)C[C@@H](C)[N@@H+](C)C[C@H](N)C1CC1 68895835 572001795 /nfs/dbraw/zinc/00/17/95/572001795.db2.gz MFAHEUMALLIAAZ-PWSUYJOCSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@@H](C)N(C)C[C@H]([NH3+])C1CC1 68895835 572001797 /nfs/dbraw/zinc/00/17/97/572001797.db2.gz MFAHEUMALLIAAZ-PWSUYJOCSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H]1C[C@H]([N@@H+](C)CCCO)CC[C@H]1C 300881138 572001829 /nfs/dbraw/zinc/00/18/29/572001829.db2.gz ZIVIJJAHXWFFKQ-GRYCIOLGSA-N 1 1 199.338 2.125 10 0 AEAEMO C[N@H+]1CC[C@@]2(Cl)CCCC[C@@H]2C1 33376514 572001998 /nfs/dbraw/zinc/00/19/98/572001998.db2.gz MRYUFOZJDFEZKI-ZJUUUORDSA-N 1 1 187.714 2.490 10 0 AEAEMO C[C@H]([N@@H+](C)CC(=O)C1CC1)C(C)(C)C 68895229 572002371 /nfs/dbraw/zinc/00/23/71/572002371.db2.gz QNGAOIJHESCYOP-VIFPVBQESA-N 1 1 197.322 2.332 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)C[C@H](N)C1CC1 68895839 572002840 /nfs/dbraw/zinc/00/28/40/572002840.db2.gz MFAHEUMALLIAAZ-JQWIXIFHSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@H](C)N(C)C[C@H]([NH3+])C1CC1 68895839 572002841 /nfs/dbraw/zinc/00/28/41/572002841.db2.gz MFAHEUMALLIAAZ-JQWIXIFHSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[N@@H+](CC(=O)C1CC1)C(C)C 68895078 572002906 /nfs/dbraw/zinc/00/29/06/572002906.db2.gz ZMCSCUZOINXFLN-UHFFFAOYSA-N 1 1 197.322 2.332 10 0 AEAEMO CCCC[N@@H+](CC(=O)C1CC1)C1CC1 68894901 572003261 /nfs/dbraw/zinc/00/32/61/572003261.db2.gz PVVIGNXXWRWOAS-UHFFFAOYSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@@H]([N@@H+](C)CC(=O)C1CC1)C(C)(C)C 68895232 572003312 /nfs/dbraw/zinc/00/33/12/572003312.db2.gz QNGAOIJHESCYOP-SECBINFHSA-N 1 1 197.322 2.332 10 0 AEAEMO CC[N@@H+](CC1CC1)[C@@](C)(CN)C(C)C 68946419 572003753 /nfs/dbraw/zinc/00/37/53/572003753.db2.gz ZBYJKRUIXITXBX-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](CC1CC1)[C@H](CN)C(C)(C)C 68946217 572003957 /nfs/dbraw/zinc/00/39/57/572003957.db2.gz HBHKGHRNLWITTO-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)[C@@H](CN)[N@@H+](CC)CC1CC1 68946463 572004019 /nfs/dbraw/zinc/00/40/19/572004019.db2.gz YWSUJYSHNFPCJF-CMPLNLGQSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@](C)(CN)[N@@H+](CC)CC1CC1 68946489 572004061 /nfs/dbraw/zinc/00/40/61/572004061.db2.gz XKIAFRNWZWPQKT-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H](C)[C@H](CN)[N@@H+](CC)CC1CC1 68946468 572004089 /nfs/dbraw/zinc/00/40/89/572004089.db2.gz YWSUJYSHNFPCJF-JQWIXIFHSA-N 1 1 198.354 2.092 10 0 AEAEMO CCN[C@@H](C)[C@@H](C)[N@@H+](CC)CC1CC1 68946767 572004105 /nfs/dbraw/zinc/00/41/05/572004105.db2.gz WMNRRXDTGNIKRD-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[C@@H](C)c1cnc(C[NH3+])o1 300880616 572004405 /nfs/dbraw/zinc/00/44/05/572004405.db2.gz GCFZSKGYVWWYLK-MRVPVSSYSA-N 1 1 182.267 2.427 10 0 AEAEMO CC[N@H+](CC1CC1)C[C@@H](N)C(C)(C)C 68946725 572004441 /nfs/dbraw/zinc/00/44/41/572004441.db2.gz GIEHUTFCMUZBET-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO CCN(CC1CC1)C[C@@H]([NH3+])C(C)(C)C 68946725 572004444 /nfs/dbraw/zinc/00/44/44/572004444.db2.gz GIEHUTFCMUZBET-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO CCN[C@H](C)[C@@H](C)[N@@H+](CC)CC1CC1 68946770 572004648 /nfs/dbraw/zinc/00/46/48/572004648.db2.gz WMNRRXDTGNIKRD-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(C)(C)C[N@H+]1CCC[C@@H](O)[C@@H]1C 713186595 572004667 /nfs/dbraw/zinc/00/46/67/572004667.db2.gz IVVGDDFKLOJITG-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCC[C@H](CN)[N@@H+](CC)CC1CC1 68946502 572004669 /nfs/dbraw/zinc/00/46/69/572004669.db2.gz XYDCYSWNORLDFN-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCN[C@H](C)[C@H](C)[N@@H+](CC)CC1CC1 68946773 572004714 /nfs/dbraw/zinc/00/47/14/572004714.db2.gz WMNRRXDTGNIKRD-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[C@@H](CN)[N@@H+](CC)CC1CC1 68946461 572004850 /nfs/dbraw/zinc/00/48/50/572004850.db2.gz YWSUJYSHNFPCJF-ZYHUDNBSSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](CC1CC1)[C@](C)(CN)C(C)C 68946420 572004867 /nfs/dbraw/zinc/00/48/67/572004867.db2.gz ZBYJKRUIXITXBX-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCN[C@@H](C)[C@H](C)[N@@H+](CC)CC1CC1 68946771 572005299 /nfs/dbraw/zinc/00/52/99/572005299.db2.gz WMNRRXDTGNIKRD-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@@H+](CC1CC1)[C@@H](CN)CC(C)C 68946559 572005331 /nfs/dbraw/zinc/00/53/31/572005331.db2.gz WNDJKLYBTNFQEE-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[NH+](CCC)[C@H]1CCCCNC1 34450706 572005723 /nfs/dbraw/zinc/00/57/23/572005723.db2.gz GLEQMURCBDSEBT-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CC[C@@H](C)[C@H](CN)[N@@H+](CC)CC1CC1 68946466 572005801 /nfs/dbraw/zinc/00/58/01/572005801.db2.gz YWSUJYSHNFPCJF-PWSUYJOCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[C@@H](CN)[N@@H+](CC)CC1CC1 68946499 572006308 /nfs/dbraw/zinc/00/63/08/572006308.db2.gz XYDCYSWNORLDFN-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[NH2+][C@@H](C)CC[N@@H+](CC)CC1CC1 68946868 572006316 /nfs/dbraw/zinc/00/63/16/572006316.db2.gz OXYPIZHJFZGBKY-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CC[N@H+](CC1CC1)C[C@H](N)C(C)(C)C 68946724 572006133 /nfs/dbraw/zinc/00/61/33/572006133.db2.gz GIEHUTFCMUZBET-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CCN(CC1CC1)C[C@H]([NH3+])C(C)(C)C 68946724 572006135 /nfs/dbraw/zinc/00/61/35/572006135.db2.gz GIEHUTFCMUZBET-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[N@@H+](C[C@@H](O)C1CC1)C1CC1 68908774 572006581 /nfs/dbraw/zinc/00/65/81/572006581.db2.gz SYWPUNNVTKPNTC-GFCCVEGCSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]([N@@H+](C)C[C@H](O)C1CC1)C(C)(C)C 68908699 572007230 /nfs/dbraw/zinc/00/72/30/572007230.db2.gz NPZHDAHKVKZVCQ-ONGXEEELSA-N 1 1 199.338 2.124 10 0 AEAEMO CC[N@@H+](C[C@@H](O)C1CC1)C1CCCC1 68908451 572007234 /nfs/dbraw/zinc/00/72/34/572007234.db2.gz HSOIYQOZPRTYQJ-GFCCVEGCSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)C[N@@H+](C[C@H](O)C1CC1)C(C)C 68908979 572007556 /nfs/dbraw/zinc/00/75/56/572007556.db2.gz JUEGVZGAGARCFV-LBPRGKRZSA-N 1 1 199.338 2.124 10 0 AEAEMO CCCC[N@@H+](C)CC(=O)C(C)(C)C 34989485 572007320 /nfs/dbraw/zinc/00/73/20/572007320.db2.gz MSAWDLOGBPGWFS-UHFFFAOYSA-N 1 1 185.311 2.334 10 0 AEAEMO CCCCCC[NH+]1[C@H](C)CNC[C@H]1C 68914378 572007434 /nfs/dbraw/zinc/00/74/34/572007434.db2.gz BUPPCUWBLXVNJB-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1C[C@H](O)C1CC1 68908392 572007520 /nfs/dbraw/zinc/00/75/20/572007520.db2.gz SBDCMUCUHMGUMV-RYUDHWBXSA-N 1 1 197.322 2.022 10 0 AEAEMO CC1(Nc2ccc(N)[nH+]c2)CCCC1 42176411 572007532 /nfs/dbraw/zinc/00/75/32/572007532.db2.gz PIAYSWHQYNWHKS-UHFFFAOYSA-N 1 1 191.278 2.408 10 0 AEAEMO CC[N@@H+](C[C@H](O)C1CC1)C1CCCC1 68908448 572007755 /nfs/dbraw/zinc/00/77/55/572007755.db2.gz HSOIYQOZPRTYQJ-LBPRGKRZSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]([N@@H+](C)C[C@H](O)C1CC1)C(C)(C)C 68908703 572007786 /nfs/dbraw/zinc/00/77/86/572007786.db2.gz NPZHDAHKVKZVCQ-KOLCDFICSA-N 1 1 199.338 2.124 10 0 AEAEMO CC(C)C[N@@H+](C[C@@H](O)C1CC1)C(C)C 68908983 572007888 /nfs/dbraw/zinc/00/78/88/572007888.db2.gz JUEGVZGAGARCFV-GFCCVEGCSA-N 1 1 199.338 2.124 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1C[C@H](O)C1CC1 68908388 572007917 /nfs/dbraw/zinc/00/79/17/572007917.db2.gz SBDCMUCUHMGUMV-NEPJUHHUSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCC[N@@H+](C[C@H](O)C1CC1)C1CC1 68908770 572008895 /nfs/dbraw/zinc/00/88/95/572008895.db2.gz SYWPUNNVTKPNTC-LBPRGKRZSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCCCC[NH+]1[C@@H](C)CNC[C@@H]1C 68914373 572008754 /nfs/dbraw/zinc/00/87/54/572008754.db2.gz BUPPCUWBLXVNJB-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@@H+](C)CC(=O)c1ccco1 35021627 572008850 /nfs/dbraw/zinc/00/88/50/572008850.db2.gz SWMFJGAEAHKTMQ-UHFFFAOYSA-N 1 1 195.262 2.194 10 0 AEAEMO CCCC[N@H+](C)CC(=O)c1ccco1 35021627 572008847 /nfs/dbraw/zinc/00/88/47/572008847.db2.gz SWMFJGAEAHKTMQ-UHFFFAOYSA-N 1 1 195.262 2.194 10 0 AEAEMO CC[N@@H+](C)CCNc1ccccc1 34740971 572008859 /nfs/dbraw/zinc/00/88/59/572008859.db2.gz DVQWBOAQTKVSKM-UHFFFAOYSA-N 1 1 178.279 2.050 10 0 AEAEMO CCCC[N@@H+](CC)[C@@H](C)C(C)=O 35036316 572009271 /nfs/dbraw/zinc/00/92/71/572009271.db2.gz LTHAJAQGQDFDBB-VIFPVBQESA-N 1 1 171.284 2.086 10 0 AEAEMO C[C@H]1C[C@@H](C)C[C@H]2CCC[N@@H+]12 14616406 572009316 /nfs/dbraw/zinc/00/93/16/572009316.db2.gz UMRIPHXQBKNPEB-KXUCPTDWSA-N 1 1 153.269 2.269 10 0 AEAEMO CCC[N@H+](C1CCC1)[C@H]1CCCNC1 68954902 572009473 /nfs/dbraw/zinc/00/94/73/572009473.db2.gz KMJZWJIBZWFIIA-LBPRGKRZSA-N 1 1 196.338 2.003 10 0 AEAEMO CCC[N@@H+](C1CCC1)[C@H]1CCCNC1 68954902 572009475 /nfs/dbraw/zinc/00/94/75/572009475.db2.gz KMJZWJIBZWFIIA-LBPRGKRZSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H](C)C[NH2+]C[C@H]1NCCC[C@H]1C 300228492 572009612 /nfs/dbraw/zinc/00/96/12/572009612.db2.gz PGYYSQINKPLNAC-QJPTWQEYSA-N 1 1 198.354 2.010 10 0 AEAEMO CCCC[N@@H+](CC)[C@H](C)C(C)=O 35036318 572009884 /nfs/dbraw/zinc/00/98/84/572009884.db2.gz LTHAJAQGQDFDBB-SECBINFHSA-N 1 1 171.284 2.086 10 0 AEAEMO CCC[N@H+](C1CCC1)[C@@H]1CCCNC1 68954900 572010052 /nfs/dbraw/zinc/01/00/52/572010052.db2.gz KMJZWJIBZWFIIA-GFCCVEGCSA-N 1 1 196.338 2.003 10 0 AEAEMO CCC[N@@H+](C1CCC1)[C@@H]1CCCNC1 68954900 572010055 /nfs/dbraw/zinc/01/00/55/572010055.db2.gz KMJZWJIBZWFIIA-GFCCVEGCSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[N@@H+](CCN)[C@@H](C)CCC(C)C 300882033 572010422 /nfs/dbraw/zinc/01/04/22/572010422.db2.gz ZNFKKMVPUGJKRU-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CCN(CC[NH3+])[C@@H](C)CCC(C)C 300882033 572010427 /nfs/dbraw/zinc/01/04/27/572010427.db2.gz ZNFKKMVPUGJKRU-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CC[N@@H+](CCN)[C@H](C)CCC(C)C 300882032 572010506 /nfs/dbraw/zinc/01/05/06/572010506.db2.gz ZNFKKMVPUGJKRU-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCN(CC[NH3+])[C@H](C)CCC(C)C 300882032 572010507 /nfs/dbraw/zinc/01/05/07/572010507.db2.gz ZNFKKMVPUGJKRU-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CC[N@@H+](CCCC[C@H](C)O)CC1CC1 68947866 572011766 /nfs/dbraw/zinc/01/17/66/572011766.db2.gz MHADLVLVJWQDNA-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CC[N@@H+](CCCCC(C)=O)CC1CC1 68947526 572011793 /nfs/dbraw/zinc/01/17/93/572011793.db2.gz LQQXOSKQMIIFMT-UHFFFAOYSA-N 1 1 197.322 2.478 10 0 AEAEMO CCCC[C@](CC)(CN)[N@@H+](C)C1CC1 68988160 572011799 /nfs/dbraw/zinc/01/17/99/572011799.db2.gz MZDIGGMJHXBVDU-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@](CC)(C[NH3+])N(C)C1CC1 68988160 572011800 /nfs/dbraw/zinc/01/18/00/572011800.db2.gz MZDIGGMJHXBVDU-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@H](CC)[N@H+]1CCC[C@H](N)C1 68988940 572011867 /nfs/dbraw/zinc/01/18/67/572011867.db2.gz RWYFCYXVWABKAP-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@H](CC)N1CCC[C@H]([NH3+])C1 68988940 572011869 /nfs/dbraw/zinc/01/18/69/572011869.db2.gz RWYFCYXVWABKAP-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[N@@H+](CC1CC1)C[C@@](C)(CC)CO 68948449 572011933 /nfs/dbraw/zinc/01/19/33/572011933.db2.gz CPPJWRGIEUPFOX-GFCCVEGCSA-N 1 1 199.338 2.127 10 0 AEAEMO CC[C@H](C)[C@H](N)C[N@@H+](CC)CC1CC1 68947630 572011985 /nfs/dbraw/zinc/01/19/85/572011985.db2.gz SJJURLACAKXEAO-CMPLNLGQSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)[C@H]([NH3+])CN(CC)CC1CC1 68947630 572011987 /nfs/dbraw/zinc/01/19/87/572011987.db2.gz SJJURLACAKXEAO-CMPLNLGQSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](CC1CC1)C[C@H]1CCCC1=O 68948314 572012000 /nfs/dbraw/zinc/01/20/00/572012000.db2.gz HUWVARIBVQBWEG-LLVKDONJSA-N 1 1 195.306 2.088 10 0 AEAEMO CCNC[C@H](C)[NH2+]C[C@@H]1CCC[C@H]1C 300231887 572012065 /nfs/dbraw/zinc/01/20/65/572012065.db2.gz FDUYYWGTVRDTTP-WOPDTQHZSA-N 1 1 198.354 2.010 10 0 AEAEMO CCCC[C@@H](N)C[N@@H+](CC)CC1CC1 68947640 572012497 /nfs/dbraw/zinc/01/24/97/572012497.db2.gz QRYANZRKOHWIJB-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[C@@H]([NH3+])CN(CC)CC1CC1 68947640 572012500 /nfs/dbraw/zinc/01/25/00/572012500.db2.gz QRYANZRKOHWIJB-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[N@@H+](CC1CC1)[C@H]1CCCCC1=O 68947498 572012722 /nfs/dbraw/zinc/01/27/22/572012722.db2.gz HOBYJFBLZQJSOT-NSHDSACASA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@@H](C)[C@@H](N)C[N@@H+](CC)CC1CC1 68947632 572012745 /nfs/dbraw/zinc/01/27/45/572012745.db2.gz SJJURLACAKXEAO-PWSUYJOCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](C)[C@@H]([NH3+])CN(CC)CC1CC1 68947632 572012748 /nfs/dbraw/zinc/01/27/48/572012748.db2.gz SJJURLACAKXEAO-PWSUYJOCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[C@@](CC)(CN)[N@@H+](C)C1CC1 68988157 572012871 /nfs/dbraw/zinc/01/28/71/572012871.db2.gz MZDIGGMJHXBVDU-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@](CC)(C[NH3+])N(C)C1CC1 68988157 572012872 /nfs/dbraw/zinc/01/28/72/572012872.db2.gz MZDIGGMJHXBVDU-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC(=O)C[N@H+]1CC[C@H]2CCC[C@H]21 393454749 572013202 /nfs/dbraw/zinc/01/32/02/572013202.db2.gz BEYHVDHBXUDZIF-ZYHUDNBSSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[N@@H+](CC1CC1)C[C@](C)(CC)CO 68948447 572012980 /nfs/dbraw/zinc/01/29/80/572012980.db2.gz CPPJWRGIEUPFOX-LBPRGKRZSA-N 1 1 199.338 2.127 10 0 AEAEMO CC[N@@H+](CC1CC1)[C@@H]1CCCCC1=O 68947497 572013924 /nfs/dbraw/zinc/01/39/24/572013924.db2.gz HOBYJFBLZQJSOT-LLVKDONJSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC[C@](C)([NH3+])CN(CC)CC1CC1 68947571 572013111 /nfs/dbraw/zinc/01/31/11/572013111.db2.gz SJZIVDQUXWCCGB-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@](C)(N)C[N@@H+](CC)CC1CC1 68947571 572013107 /nfs/dbraw/zinc/01/31/07/572013107.db2.gz SJZIVDQUXWCCGB-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[N@@H+](CC1CC1)C[C@@H]1CCCC1=O 68948312 572013299 /nfs/dbraw/zinc/01/32/99/572013299.db2.gz HUWVARIBVQBWEG-NSHDSACASA-N 1 1 195.306 2.088 10 0 AEAEMO CC[N@H+](CC1CC1)C[C@](C)(CC)CN 68948402 572013330 /nfs/dbraw/zinc/01/33/30/572013330.db2.gz DWAFNPJPGVHWQI-GFCCVEGCSA-N 1 1 198.354 2.093 10 0 AEAEMO CC[N@@H+](CC1CC1)C[C@](C)(CC)CN 68948402 572013333 /nfs/dbraw/zinc/01/33/33/572013333.db2.gz DWAFNPJPGVHWQI-GFCCVEGCSA-N 1 1 198.354 2.093 10 0 AEAEMO CC[C@@H](C)[C@H](N)C[N@@H+](CC)CC1CC1 68947628 572013392 /nfs/dbraw/zinc/01/33/92/572013392.db2.gz SJJURLACAKXEAO-ZYHUDNBSSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](C)[C@H]([NH3+])CN(CC)CC1CC1 68947628 572013394 /nfs/dbraw/zinc/01/33/94/572013394.db2.gz SJJURLACAKXEAO-ZYHUDNBSSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)[C@@H](N)C[N@@H+](CC)CC1CC1 68947634 572013538 /nfs/dbraw/zinc/01/35/38/572013538.db2.gz SJJURLACAKXEAO-JQWIXIFHSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)[C@@H]([NH3+])CN(CC)CC1CC1 68947634 572013540 /nfs/dbraw/zinc/01/35/40/572013540.db2.gz SJJURLACAKXEAO-JQWIXIFHSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC(=O)C[N@H+]1CC[C@H]2CCC[C@@H]21 393454746 572013551 /nfs/dbraw/zinc/01/35/51/572013551.db2.gz BEYHVDHBXUDZIF-PWSUYJOCSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[N@H+](CC(=O)C(C)(C)C)CC1CC1 68947487 572013729 /nfs/dbraw/zinc/01/37/29/572013729.db2.gz IBMQPWXAIZTERK-UHFFFAOYSA-N 1 1 197.322 2.334 10 0 AEAEMO CCCC(=O)C[N@@H+](CC)CC1CC1 68947491 572013970 /nfs/dbraw/zinc/01/39/70/572013970.db2.gz VBFKAOSXNWKMDY-UHFFFAOYSA-N 1 1 183.295 2.088 10 0 AEAEMO CCCC[C@](CC)(CN)[N@@H+](C)CC 68988147 572014017 /nfs/dbraw/zinc/01/40/17/572014017.db2.gz FSSQXUHJVFCZNE-LLVKDONJSA-N 1 1 186.343 2.236 10 0 AEAEMO CC[N@@H+](CCCC(C)=O)CC1CC1 68947470 572014026 /nfs/dbraw/zinc/01/40/26/572014026.db2.gz YXVQUDUAKNFUBF-UHFFFAOYSA-N 1 1 183.295 2.088 10 0 AEAEMO CCCC[C@H](N)C[N@@H+](CC)CC1CC1 68947638 572014058 /nfs/dbraw/zinc/01/40/58/572014058.db2.gz QRYANZRKOHWIJB-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[C@H]([NH3+])CN(CC)CC1CC1 68947638 572014060 /nfs/dbraw/zinc/01/40/60/572014060.db2.gz QRYANZRKOHWIJB-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC(=O)C[N@H+]1CC[C@@H]2CCC[C@@H]21 393454742 572014435 /nfs/dbraw/zinc/01/44/35/572014435.db2.gz BEYHVDHBXUDZIF-JQWIXIFHSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[N@@H+](CCN)[C@@H]1CCC[C@H](C)[C@@H]1C 300883577 572014586 /nfs/dbraw/zinc/01/45/86/572014586.db2.gz ZTJQPHDTMGOHJU-SDDRHHMPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@H](CN)C(C)C 68995183 572014950 /nfs/dbraw/zinc/01/49/50/572014950.db2.gz HDFSCAAGOJILKI-SNVBAGLBSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@](C)(CN)[N@@H+](C)C1CCCCC1 35176650 572014874 /nfs/dbraw/zinc/01/48/74/572014874.db2.gz JRBZAQYTUUMVOI-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO C[C@@H]1CCC[N@H+]1C[C@H](O)CC(C)(C)C 300233634 572015423 /nfs/dbraw/zinc/01/54/23/572015423.db2.gz LFRLRCADTMDESV-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@@H+](CCN)[C@@H]1CCC[C@@H](C)[C@@H]1C 300883569 572015543 /nfs/dbraw/zinc/01/55/43/572015543.db2.gz ZTJQPHDTMGOHJU-GRYCIOLGSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(C)(C)[N@@H+](C)C[C@@H]1CCCC1=O 69011106 572015611 /nfs/dbraw/zinc/01/56/11/572015611.db2.gz MFQSQLRIDVCNRA-JTQLQIEISA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@](C)(CN)C1CC1 68995581 572015631 /nfs/dbraw/zinc/01/56/31/572015631.db2.gz IFRSVNYOEVFMGD-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(=O)CC[N@H+](C)C1CCCCC1 35159959 572016034 /nfs/dbraw/zinc/01/60/34/572016034.db2.gz OLBBJSGETRDTNL-UHFFFAOYSA-N 1 1 183.295 2.230 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@@](C)(CN)C1CC1 68995578 572016353 /nfs/dbraw/zinc/01/63/53/572016353.db2.gz IFRSVNYOEVFMGD-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(C)(C)[N@@H+](C)C[C@H]1CCCC1=O 69011108 572017162 /nfs/dbraw/zinc/01/71/62/572017162.db2.gz MFQSQLRIDVCNRA-SNVBAGLBSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(C)(C)[N@H+](C)[C@H]1CCC[C@@H]1NC 68997171 572017555 /nfs/dbraw/zinc/01/75/55/572017555.db2.gz OFVWOSHLJGHMEQ-QWRGUYRKSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@H]1CCC[C@@H]1NC 68997171 572017557 /nfs/dbraw/zinc/01/75/57/572017557.db2.gz OFVWOSHLJGHMEQ-QWRGUYRKSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](O)[C@@H](C)[N@@H+](C)C(C)(C)CC 69000870 572017361 /nfs/dbraw/zinc/01/73/61/572017361.db2.gz XNEVWIBISMQVKH-ZJUUUORDSA-N 1 1 187.327 2.266 10 0 AEAEMO CC[C@H](N)[C@H](C)[N@@H+](C)C(C)(C)CC 68997314 572017521 /nfs/dbraw/zinc/01/75/21/572017521.db2.gz NIBNMHLCPNWCEH-UWVGGRQHSA-N 1 1 186.343 2.233 10 0 AEAEMO CC[C@H]1CCC[N@@H+](CCC(C)=O)C1 35239425 572017526 /nfs/dbraw/zinc/01/75/26/572017526.db2.gz AJIDIQQJRCTRFS-NSHDSACASA-N 1 1 183.295 2.088 10 0 AEAEMO CCC(C)(C)[N@@H+](C)CCC(C)=O 69000185 572017606 /nfs/dbraw/zinc/01/76/06/572017606.db2.gz JJXGQLYACFXAEQ-UHFFFAOYSA-N 1 1 171.284 2.086 10 0 AEAEMO CC[N@H+](CC1CCC1)[C@H](C)[C@H](C)NC 300238631 572017667 /nfs/dbraw/zinc/01/76/67/572017667.db2.gz PXMZNNVTLRPEEJ-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@@H+](CC1CCC1)[C@H](C)[C@H](C)NC 300238631 572017668 /nfs/dbraw/zinc/01/76/68/572017668.db2.gz PXMZNNVTLRPEEJ-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](N)C[N@@H+](C)C(C)(C)CC 68997261 572017783 /nfs/dbraw/zinc/01/77/83/572017783.db2.gz FCJFDTPZOSSYSC-JTQLQIEISA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@H]([NH3+])CN(C)C(C)(C)CC 68997261 572017786 /nfs/dbraw/zinc/01/77/86/572017786.db2.gz FCJFDTPZOSSYSC-JTQLQIEISA-N 1 1 186.343 2.234 10 0 AEAEMO CC[N@@H+](CC1CCC1)[C@H](C)C[C@H](C)O 300238708 572017822 /nfs/dbraw/zinc/01/78/22/572017822.db2.gz RASNRPGHGACUQD-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H](CC[NH3+])[N@@H+](C)C1CCCCC1 35234520 572018100 /nfs/dbraw/zinc/01/81/00/572018100.db2.gz CDJNAWPMIQOQID-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CCC(C)(C)[N@@H+](C)CC(=O)C1CC1 69000206 572017928 /nfs/dbraw/zinc/01/79/28/572017928.db2.gz XPHDBLBVHRLUAY-UHFFFAOYSA-N 1 1 183.295 2.086 10 0 AEAEMO C[N@H+]1CCCC[C@H]1CCn1cccc1 234374419 572017950 /nfs/dbraw/zinc/01/79/50/572017950.db2.gz DJPZFGRLQDCYHC-LBPRGKRZSA-N 1 1 192.306 2.363 10 0 AEAEMO CC[C@@H](O)[C@H](C)[N@@H+](C)C(C)(C)CC 69000875 572018005 /nfs/dbraw/zinc/01/80/05/572018005.db2.gz XNEVWIBISMQVKH-VHSXEESVSA-N 1 1 187.327 2.266 10 0 AEAEMO CC[N@H+](CC1CCC1)[C@@H](C)[C@H](C)NC 300238630 572018054 /nfs/dbraw/zinc/01/80/54/572018054.db2.gz PXMZNNVTLRPEEJ-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@@H+](CC1CCC1)[C@@H](C)[C@H](C)NC 300238630 572018057 /nfs/dbraw/zinc/01/80/57/572018057.db2.gz PXMZNNVTLRPEEJ-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@H+](CC1CCC1)C[C@H](C)[C@H](C)[NH3+] 300238816 572018153 /nfs/dbraw/zinc/01/81/53/572018153.db2.gz TWHRINZUCRQOCF-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C[N@H+](C)C(C)(C)CC)NC 68997000 572018211 /nfs/dbraw/zinc/01/82/11/572018211.db2.gz RPJMLYIHHAIOTR-SNVBAGLBSA-N 1 1 186.343 2.105 10 0 AEAEMO CC[C@H](C[N@@H+](C)C(C)(C)CC)NC 68997000 572018212 /nfs/dbraw/zinc/01/82/12/572018212.db2.gz RPJMLYIHHAIOTR-SNVBAGLBSA-N 1 1 186.343 2.105 10 0 AEAEMO CCCNc1cc[nH+]c(NCCC)n1 82266992 572018222 /nfs/dbraw/zinc/01/82/22/572018222.db2.gz PAOGBPBIENNYLZ-UHFFFAOYSA-N 1 1 194.282 2.120 10 0 AEAEMO CC[C@@H]1CCC[N@@H+](CCC(C)=O)C1 35239423 572018292 /nfs/dbraw/zinc/01/82/92/572018292.db2.gz AJIDIQQJRCTRFS-LLVKDONJSA-N 1 1 183.295 2.088 10 0 AEAEMO CC[N@@H+](CC1CCC1)[C@@H](C)C[C@H](C)O 300238709 572018345 /nfs/dbraw/zinc/01/83/45/572018345.db2.gz RASNRPGHGACUQD-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@@H](N)C[N@@H+](C)C(C)(C)CC 68997265 572018817 /nfs/dbraw/zinc/01/88/17/572018817.db2.gz FCJFDTPZOSSYSC-SNVBAGLBSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@@H]([NH3+])CN(C)C(C)(C)CC 68997265 572018818 /nfs/dbraw/zinc/01/88/18/572018818.db2.gz FCJFDTPZOSSYSC-SNVBAGLBSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[N@H+](CC1CCC1)C[C@@H](C)[C@H](C)[NH3+] 300238815 572018848 /nfs/dbraw/zinc/01/88/48/572018848.db2.gz TWHRINZUCRQOCF-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](N)[C@H](C)[N@@H+](C)C(C)(C)CC 68997317 572019060 /nfs/dbraw/zinc/01/90/60/572019060.db2.gz NIBNMHLCPNWCEH-VHSXEESVSA-N 1 1 186.343 2.233 10 0 AEAEMO CC[C@H](CC[NH3+])[N@@H+](C)C1CCCCC1 35234521 572019118 /nfs/dbraw/zinc/01/91/18/572019118.db2.gz CDJNAWPMIQOQID-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@@H](C[N@H+](C)C(C)(C)CC)NC 68996994 572019131 /nfs/dbraw/zinc/01/91/31/572019131.db2.gz RPJMLYIHHAIOTR-JTQLQIEISA-N 1 1 186.343 2.105 10 0 AEAEMO CC[C@@H](C[N@@H+](C)C(C)(C)CC)NC 68996994 572019133 /nfs/dbraw/zinc/01/91/33/572019133.db2.gz RPJMLYIHHAIOTR-JTQLQIEISA-N 1 1 186.343 2.105 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@@H](C)C(C)=O 69000178 572019333 /nfs/dbraw/zinc/01/93/33/572019333.db2.gz JPRAZCBWHSOLFR-QMMMGPOBSA-N 1 1 171.284 2.084 10 0 AEAEMO CC[N@@H+](CC1CCC1)[C@H](C)[C@H](C)C[NH3+] 300239112 572019605 /nfs/dbraw/zinc/01/96/05/572019605.db2.gz ZFORPXPGBDDSGQ-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(C)(C)[N@H+](C)[C@@H]1CCC[C@@H]1NC 68997168 572019616 /nfs/dbraw/zinc/01/96/16/572019616.db2.gz OFVWOSHLJGHMEQ-WDEREUQCSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@@H]1CCC[C@@H]1NC 68997168 572019620 /nfs/dbraw/zinc/01/96/20/572019620.db2.gz OFVWOSHLJGHMEQ-WDEREUQCSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(C)(C)[N@H+](C)C[C@@H]1CCCCN1 68998214 572019852 /nfs/dbraw/zinc/01/98/52/572019852.db2.gz SORRRYHPUBSRJP-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(C)(C)[N@@H+](C)C[C@@H]1CCCCN1 68998214 572019854 /nfs/dbraw/zinc/01/98/54/572019854.db2.gz SORRRYHPUBSRJP-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(C)(C)[N@H+](C)[C@@H](C)[C@@H](C)NC 68997194 572020024 /nfs/dbraw/zinc/02/00/24/572020024.db2.gz IUZIGTGSTCYQFJ-ZJUUUORDSA-N 1 1 186.343 2.103 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@@H](C)[C@@H](C)NC 68997194 572020027 /nfs/dbraw/zinc/02/00/27/572020027.db2.gz IUZIGTGSTCYQFJ-ZJUUUORDSA-N 1 1 186.343 2.103 10 0 AEAEMO CC[C@@H](N)[C@@H](C)[N@@H+](C)C(C)(C)CC 68997311 572020140 /nfs/dbraw/zinc/02/01/40/572020140.db2.gz NIBNMHLCPNWCEH-NXEZZACHSA-N 1 1 186.343 2.233 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@@H+](C)C(C)(C)CC 69000874 572020149 /nfs/dbraw/zinc/02/01/49/572020149.db2.gz XNEVWIBISMQVKH-UWVGGRQHSA-N 1 1 187.327 2.266 10 0 AEAEMO CCC(C)(C)[N@H+](C)CC(C)(C)NC 69015545 572020898 /nfs/dbraw/zinc/02/08/98/572020898.db2.gz AJFGDPFXWQIRIO-UHFFFAOYSA-N 1 1 186.343 2.105 10 0 AEAEMO CCC(C)(C)[N@@H+](C)CC(C)(C)NC 69015545 572020900 /nfs/dbraw/zinc/02/09/00/572020900.db2.gz AJFGDPFXWQIRIO-UHFFFAOYSA-N 1 1 186.343 2.105 10 0 AEAEMO FCCC[N@H+]1CC[C@H](CC2CC2)C1 393460508 572021009 /nfs/dbraw/zinc/02/10/09/572021009.db2.gz AYHZBLDNHVCILH-LLVKDONJSA-N 1 1 185.286 2.468 10 0 AEAEMO C[C@@H]1CCC[N@H+]1CCCC(C)(C)CO 393462843 572021105 /nfs/dbraw/zinc/02/11/05/572021105.db2.gz UQLMMMCLLXTYIU-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@H]1C[N@@H+](CC(C)(C)CC)C[C@H]1O 713200046 572021118 /nfs/dbraw/zinc/02/11/18/572021118.db2.gz RRHULEOFNBOMPY-GHMZBOCLSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H]1CCC[N@H+]1CCCC(C)(C)CO 393462847 572021128 /nfs/dbraw/zinc/02/11/28/572021128.db2.gz UQLMMMCLLXTYIU-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CCC(C)(C)[N@@H+](C)C[C@](C)(N)C1CC1 69015496 572021199 /nfs/dbraw/zinc/02/11/99/572021199.db2.gz ZFDBCDRJBLEDBW-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(C)(C)N(C)C[C@](C)([NH3+])C1CC1 69015496 572021202 /nfs/dbraw/zinc/02/12/02/572021202.db2.gz ZFDBCDRJBLEDBW-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1C[N@@H+](CC(C)(C)CC)C[C@@H]1O 713200049 572021528 /nfs/dbraw/zinc/02/15/28/572021528.db2.gz RRHULEOFNBOMPY-MNOVXSKESA-N 1 1 199.338 2.125 10 0 AEAEMO CC[N@@H+](CC1CCC1)[C@@H]1CC[C@H](O)C1 300237857 572021943 /nfs/dbraw/zinc/02/19/43/572021943.db2.gz DVDPURHTHAGGJV-NEPJUHHUSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H]1C[N@@H+](CC(C)(C)CC)C[C@@H]1O 713200050 572021863 /nfs/dbraw/zinc/02/18/63/572021863.db2.gz RRHULEOFNBOMPY-QWRGUYRKSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC(C)(C)[N@@H+](C)C[C@@](C)(N)C1CC1 69015497 572021933 /nfs/dbraw/zinc/02/19/33/572021933.db2.gz ZFDBCDRJBLEDBW-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(C)(C)N(C)C[C@@](C)([NH3+])C1CC1 69015497 572021935 /nfs/dbraw/zinc/02/19/35/572021935.db2.gz ZFDBCDRJBLEDBW-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(C)(C)[N@@H+](C)CC1(N)CCCC1 69015539 572022290 /nfs/dbraw/zinc/02/22/90/572022290.db2.gz NQVPHKREPRPRQE-UHFFFAOYSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC(C)(C)[N@@H+](C)C[C@@H](N)C(C)C 69015478 572022142 /nfs/dbraw/zinc/02/21/42/572022142.db2.gz LPXMQCYPMRUALR-SNVBAGLBSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC(C)(C)N(C)C[C@@H]([NH3+])C(C)C 69015478 572022147 /nfs/dbraw/zinc/02/21/47/572022147.db2.gz LPXMQCYPMRUALR-SNVBAGLBSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC(C)(C)N(C)CC1([NH3+])CCCC1 69015539 572022293 /nfs/dbraw/zinc/02/22/93/572022293.db2.gz NQVPHKREPRPRQE-UHFFFAOYSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@H]1C[N@@H+](CC(C)(C)CC)C[C@H]1O 713200052 572022225 /nfs/dbraw/zinc/02/22/25/572022225.db2.gz RRHULEOFNBOMPY-WDEREUQCSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC(C)(C)[N@@H+](C)C[C@H](N)C(C)C 69015476 572022809 /nfs/dbraw/zinc/02/28/09/572022809.db2.gz LPXMQCYPMRUALR-JTQLQIEISA-N 1 1 186.343 2.090 10 0 AEAEMO CCC(C)(C)N(C)C[C@H]([NH3+])C(C)C 69015476 572022811 /nfs/dbraw/zinc/02/28/11/572022811.db2.gz LPXMQCYPMRUALR-JTQLQIEISA-N 1 1 186.343 2.090 10 0 AEAEMO FCCC[N@H+]1CC[C@@H](CC2CC2)C1 393460510 572023032 /nfs/dbraw/zinc/02/30/32/572023032.db2.gz AYHZBLDNHVCILH-NSHDSACASA-N 1 1 185.286 2.468 10 0 AEAEMO CC[C@H](N)C[N@@H+](C)C1CCC(C)CC1 42488254 572023207 /nfs/dbraw/zinc/02/32/07/572023207.db2.gz WSYIGZJMTGDIHY-CXQJBGSLSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]1CCC[C@H]([N@@H+](C)C(C)(C)CN)C1 42492484 572023745 /nfs/dbraw/zinc/02/37/45/572023745.db2.gz QXCSUJVHGHELPN-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO C[NH2+][C@H](CCCC(F)F)C(F)F 687915250 572023715 /nfs/dbraw/zinc/02/37/15/572023715.db2.gz GULQNPFFWDWTGI-RXMQYKEDSA-N 1 1 187.180 2.275 10 0 AEAEMO CCC[N@H+](CC1CC1)C[C@H](N)C(C)C 42491174 572024678 /nfs/dbraw/zinc/02/46/78/572024678.db2.gz RBNRNPFRVZHJNI-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCCC[C@](C)(CN)[NH+]1CCCC1 82390069 572025147 /nfs/dbraw/zinc/02/51/47/572025147.db2.gz BDEHQDGNQBBVAL-GFCCVEGCSA-N 1 1 198.354 2.380 10 0 AEAEMO C[C@H]1CCC[C@H]([N@@H+](C)C(C)(C)CN)C1 42492485 572025158 /nfs/dbraw/zinc/02/51/58/572025158.db2.gz QXCSUJVHGHELPN-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H](C[NH2+][C@H](C)C(F)F)OC 393467713 572025228 /nfs/dbraw/zinc/02/52/28/572025228.db2.gz DIQDYRCVTLSASB-SFYZADRCSA-N 1 1 195.253 2.045 10 0 AEAEMO CCC[C@H](C[NH2+][C@@H](C)C(F)F)OC 393467712 572025492 /nfs/dbraw/zinc/02/54/92/572025492.db2.gz DIQDYRCVTLSASB-JGVFFNPUSA-N 1 1 195.253 2.045 10 0 AEAEMO C[C@@H]1CCC[C@@H]([N@@H+](C)C(C)(C)CN)C1 42492486 572025513 /nfs/dbraw/zinc/02/55/13/572025513.db2.gz QXCSUJVHGHELPN-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(=O)CC[N@H+](C)CC1CCCCC1 42493786 572025562 /nfs/dbraw/zinc/02/55/62/572025562.db2.gz NQLVDFCUJUCQNR-UHFFFAOYSA-N 1 1 197.322 2.478 10 0 AEAEMO CCCC[C@@H](C)c1nnc(C[NH3+])s1 300893180 572025671 /nfs/dbraw/zinc/02/56/71/572025671.db2.gz HVRRDEKYJAZXIC-SSDOTTSWSA-N 1 1 199.323 2.291 10 0 AEAEMO CCC[C@@H](C[NH2+][C@@H](C)C(F)F)OC 393467715 572025726 /nfs/dbraw/zinc/02/57/26/572025726.db2.gz DIQDYRCVTLSASB-YUMQZZPRSA-N 1 1 195.253 2.045 10 0 AEAEMO CCCC[C@H](C)c1nnc(C[NH3+])s1 300893183 572025883 /nfs/dbraw/zinc/02/58/83/572025883.db2.gz HVRRDEKYJAZXIC-ZETCQYMHSA-N 1 1 199.323 2.291 10 0 AEAEMO CCC[C@H](C[NH2+][C@H](C)C(F)F)OC 393467711 572025942 /nfs/dbraw/zinc/02/59/42/572025942.db2.gz DIQDYRCVTLSASB-HTQZYQBOSA-N 1 1 195.253 2.045 10 0 AEAEMO CCC(C)(C)C[N@@H+](C)C[C@H]1C[C@@H](O)C1 713199357 572026040 /nfs/dbraw/zinc/02/60/40/572026040.db2.gz NSXGYBGEIVUWIO-PHIMTYICSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H](C[N@@H+]1CCC[C@H](C)CC1)NC 82495145 572028737 /nfs/dbraw/zinc/02/87/37/572028737.db2.gz ZACIOQFOWHLUDT-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](C[N@H+]1CCC[C@H](C)CC1)NC 82495145 572028739 /nfs/dbraw/zinc/02/87/39/572028739.db2.gz ZACIOQFOWHLUDT-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)C[N@H+]1[C@H](C)CCC[C@@H]1CN 82451159 572029056 /nfs/dbraw/zinc/02/90/56/572029056.db2.gz DVWROUPRLLSQCP-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CNC(C)(C)C[N@H+](C)CC1CCCC1 82493406 572029127 /nfs/dbraw/zinc/02/91/27/572029127.db2.gz RTRBESBISPANSJ-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CNC(C)(C)C[N@@H+](C)CC1CCCC1 82493406 572029129 /nfs/dbraw/zinc/02/91/29/572029129.db2.gz RTRBESBISPANSJ-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCC[N@H+]1[C@@H](C)CCC[C@@H]1CN 82451026 572029422 /nfs/dbraw/zinc/02/94/22/572029422.db2.gz TZNXQKXKGYOMIX-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CC(C)CC[N@@H+]1[C@H](CN)CCC[C@H]1C 82451010 572029590 /nfs/dbraw/zinc/02/95/90/572029590.db2.gz FIMFPDIZBQVHGV-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCC[N@@H+](C)[C@@](C)(CN)C1CC1 35659562 572030119 /nfs/dbraw/zinc/03/01/19/572030119.db2.gz DNHRKIYGWXXQFI-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[N@@H+](C)Cc1cccc(N)c1C 35649131 572030146 /nfs/dbraw/zinc/03/01/46/572030146.db2.gz TVFFKYAHYCFWIW-UHFFFAOYSA-N 1 1 192.306 2.419 10 0 AEAEMO CCCC[N@@H+](CC)[C@](C)(CN)C1CC1 35659497 572030160 /nfs/dbraw/zinc/03/01/60/572030160.db2.gz ROQQALKYOSGAQO-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)CC[N@H+]1[C@@H](C)CCC[C@@H]1CN 82451007 572030499 /nfs/dbraw/zinc/03/04/99/572030499.db2.gz FIMFPDIZBQVHGV-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CC[N@H+]1[C@@H](C)CCC[C@H]1CN 82451012 572030563 /nfs/dbraw/zinc/03/05/63/572030563.db2.gz FIMFPDIZBQVHGV-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)[C@@](C)(CN)C1CC1 35659560 572030721 /nfs/dbraw/zinc/03/07/21/572030721.db2.gz KCFNBAKXDLJAQO-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CC[N@H+]1[C@H](C)CCC[C@@H]1CN 82451004 572030804 /nfs/dbraw/zinc/03/08/04/572030804.db2.gz FIMFPDIZBQVHGV-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCC[N@H+]1[C@H](C)CCC[C@@H]1CN 82451024 572030842 /nfs/dbraw/zinc/03/08/42/572030842.db2.gz TZNXQKXKGYOMIX-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[N@@H+](CC)[C@@](C)(CN)C1CC1 35659496 572030865 /nfs/dbraw/zinc/03/08/65/572030865.db2.gz ROQQALKYOSGAQO-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@@](C)(CN)C1CC1 35659558 572031159 /nfs/dbraw/zinc/03/11/59/572031159.db2.gz OIUHQEKTPGHQGE-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C(C)C)[N@@H+](C)[C@@H]1CCCNC1 82499258 572031194 /nfs/dbraw/zinc/03/11/94/572031194.db2.gz WVLRHLIHDUOFGO-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C(C)C)N(C)[C@@H]1CCC[NH2+]C1 82499258 572031199 /nfs/dbraw/zinc/03/11/99/572031199.db2.gz WVLRHLIHDUOFGO-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@@](C)(CN)C1CC1 35659561 572031237 /nfs/dbraw/zinc/03/12/37/572031237.db2.gz KCFNBAKXDLJAQO-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)[C@H](C)[N@H+](C)[C@@H]1CCCNC1 82499202 572031238 /nfs/dbraw/zinc/03/12/38/572031238.db2.gz FYIMOBIAJIIISH-GRYCIOLGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[C@H](C)[N@@H+](C)[C@@H]1CCCNC1 82499202 572031242 /nfs/dbraw/zinc/03/12/42/572031242.db2.gz FYIMOBIAJIIISH-GRYCIOLGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@@H+]([C@@H](C)C(C)C)[C@@H]1CCCNC1 82500286 572031269 /nfs/dbraw/zinc/03/12/69/572031269.db2.gz YRVJYCZWWCAKHE-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCN([C@@H](C)C(C)C)[C@@H]1CCC[NH2+]C1 82500286 572031272 /nfs/dbraw/zinc/03/12/72/572031272.db2.gz YRVJYCZWWCAKHE-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)C[N@H+](CC)[C@@H]1CCCNC1 82500365 572031370 /nfs/dbraw/zinc/03/13/70/572031370.db2.gz QPOOKCDFZCIFFM-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)C[N@@H+](CC)[C@@H]1CCCNC1 82500365 572031372 /nfs/dbraw/zinc/03/13/72/572031372.db2.gz QPOOKCDFZCIFFM-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@@](C)(CN)C1CC1 35659565 572031562 /nfs/dbraw/zinc/03/15/62/572031562.db2.gz LVDZBOVAUYVJAL-JQWIXIFHSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@H+]([C@H]1CCCNC1)[C@@H](C)C(C)C 82500288 572031599 /nfs/dbraw/zinc/03/15/99/572031599.db2.gz YRVJYCZWWCAKHE-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCN([C@H]1CCC[NH2+]C1)[C@@H](C)C(C)C 82500288 572031603 /nfs/dbraw/zinc/03/16/03/572031603.db2.gz YRVJYCZWWCAKHE-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](N)[C@@H](C)[N@@H+](CC)C1CCCC1 35765942 572032494 /nfs/dbraw/zinc/03/24/94/572032494.db2.gz SJQJSGIXPTUDCX-PWSUYJOCSA-N 1 1 198.354 2.377 10 0 AEAEMO CCC(CC)C[N@H+](C)[C@@H]1CCCNC1 82499143 572031704 /nfs/dbraw/zinc/03/17/04/572031704.db2.gz GTCFDDXLTCXYGT-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC(CC)C[N@@H+](C)[C@@H]1CCCNC1 82499143 572031709 /nfs/dbraw/zinc/03/17/09/572031709.db2.gz GTCFDDXLTCXYGT-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[N@H+](CCC(C)C)[C@H]1CCCNC1 82500238 572031943 /nfs/dbraw/zinc/03/19/43/572031943.db2.gz ZWUNFMBKWZLCHD-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[N@@H+](CCC(C)C)[C@H]1CCCNC1 82500238 572031946 /nfs/dbraw/zinc/03/19/46/572031946.db2.gz ZWUNFMBKWZLCHD-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@@](C)(CN)C1CC1 35659548 572031993 /nfs/dbraw/zinc/03/19/93/572031993.db2.gz BSHCEEBAAOMGSK-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+]([C@@H](C)CC)[C@@H]1CCCNC1 82500470 572032109 /nfs/dbraw/zinc/03/21/09/572032109.db2.gz FBZFLLAEEFLSFG-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCN([C@@H](C)CC)[C@@H]1CCC[NH2+]C1 82500470 572032111 /nfs/dbraw/zinc/03/21/11/572032111.db2.gz FBZFLLAEEFLSFG-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)[N@@H+](CC)[C@@H]1CCCNC1 82500310 572032321 /nfs/dbraw/zinc/03/23/21/572032321.db2.gz LOBADKLJJHVRMT-GFCCVEGCSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)N(CC)[C@@H]1CCC[NH2+]C1 82500310 572032323 /nfs/dbraw/zinc/03/23/23/572032323.db2.gz LOBADKLJJHVRMT-GFCCVEGCSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[N@H+](CC(C)(C)C)[C@@H]1CCCNC1 82500387 572032512 /nfs/dbraw/zinc/03/25/12/572032512.db2.gz MTNYVDXCAITVGA-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[N@@H+](CC(C)(C)C)[C@@H]1CCCNC1 82500387 572032517 /nfs/dbraw/zinc/03/25/17/572032517.db2.gz MTNYVDXCAITVGA-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[N@H+](CCC)[C@@H]1CCCNC1 82500446 572032604 /nfs/dbraw/zinc/03/26/04/572032604.db2.gz LRRYTWHEXXLFPJ-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCC[N@@H+](CCC)[C@@H]1CCCNC1 82500446 572032607 /nfs/dbraw/zinc/03/26/07/572032607.db2.gz LRRYTWHEXXLFPJ-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CCC[C@H](CN)[N@@H+](CC)C1CCCC1 35765379 572032621 /nfs/dbraw/zinc/03/26/21/572032621.db2.gz XWNUCXNHSJNHJX-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@H+](C)[C@@H]1CCCNC1 82499204 572032640 /nfs/dbraw/zinc/03/26/40/572032640.db2.gz FYIMOBIAJIIISH-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@@H+](C)[C@@H]1CCCNC1 82499204 572032641 /nfs/dbraw/zinc/03/26/41/572032641.db2.gz FYIMOBIAJIIISH-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@@H](C)[N@H+](C)[C@@H]1CCCNC1 82499199 572032658 /nfs/dbraw/zinc/03/26/58/572032658.db2.gz FYIMOBIAJIIISH-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@@H](C)[N@@H+](C)[C@@H]1CCCNC1 82499199 572032660 /nfs/dbraw/zinc/03/26/60/572032660.db2.gz FYIMOBIAJIIISH-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)[N@H+](CC)[C@@H]1CCCNC1 82500257 572032682 /nfs/dbraw/zinc/03/26/82/572032682.db2.gz LOVONBCVCZEXSF-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H](C)[N@@H+](CC)[C@@H]1CCCNC1 82500257 572032683 /nfs/dbraw/zinc/03/26/83/572032683.db2.gz LOVONBCVCZEXSF-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCC[N@H+](CC)[C@H]1CCCNC1 82500351 572032737 /nfs/dbraw/zinc/03/27/37/572032737.db2.gz RSNKUYXCFIVBAB-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCC[N@@H+](CC)[C@H]1CCCNC1 82500351 572032739 /nfs/dbraw/zinc/03/27/39/572032739.db2.gz RSNKUYXCFIVBAB-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCC(CC)[N@@H+](CC)[C@H]1CCCNC1 82500312 572032747 /nfs/dbraw/zinc/03/27/47/572032747.db2.gz LOBADKLJJHVRMT-LBPRGKRZSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)N(CC)[C@H]1CCC[NH2+]C1 82500312 572032751 /nfs/dbraw/zinc/03/27/51/572032751.db2.gz LOBADKLJJHVRMT-LBPRGKRZSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@H+](CCC)[C@H]1CCCNC1 82500448 572032804 /nfs/dbraw/zinc/03/28/04/572032804.db2.gz LRRYTWHEXXLFPJ-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCC[N@@H+](CCC)[C@H]1CCCNC1 82500448 572032806 /nfs/dbraw/zinc/03/28/06/572032806.db2.gz LRRYTWHEXXLFPJ-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCC[C@H](C)C[N@H+](C)[C@@H]1CCCNC1 82499112 572032880 /nfs/dbraw/zinc/03/28/80/572032880.db2.gz GGVWGGDTWOZBLS-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)[C@@H]1CCCNC1 82499112 572032883 /nfs/dbraw/zinc/03/28/83/572032883.db2.gz GGVWGGDTWOZBLS-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC(CC)C[N@H+](C)[C@H]1CCCNC1 82499145 572032922 /nfs/dbraw/zinc/03/29/22/572032922.db2.gz GTCFDDXLTCXYGT-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC(CC)C[N@@H+](C)[C@H]1CCCNC1 82499145 572032923 /nfs/dbraw/zinc/03/29/23/572032923.db2.gz GTCFDDXLTCXYGT-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](CN)[N@@H+](CC)C1CCCC1 35765377 572032943 /nfs/dbraw/zinc/03/29/43/572032943.db2.gz XWNUCXNHSJNHJX-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[N@H+](CC)[C@@H]1CCCNC1 82500350 572032992 /nfs/dbraw/zinc/03/29/92/572032992.db2.gz RSNKUYXCFIVBAB-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCC[N@@H+](CC)[C@@H]1CCCNC1 82500350 572032995 /nfs/dbraw/zinc/03/29/95/572032995.db2.gz RSNKUYXCFIVBAB-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CCC[N@@H+](CC(C)C)[C@@H]1CCCNC1 82500463 572033052 /nfs/dbraw/zinc/03/30/52/572033052.db2.gz KZXPMGDIWMKUOT-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCN(CC(C)C)[C@@H]1CCC[NH2+]C1 82500463 572033055 /nfs/dbraw/zinc/03/30/55/572033055.db2.gz KZXPMGDIWMKUOT-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[N@@H+](CC(C)(C)C)[C@H]1CCCNC1 82500389 572033423 /nfs/dbraw/zinc/03/34/23/572033423.db2.gz MTNYVDXCAITVGA-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](C)[N@H+](CC)[C@@H]1CCCNC1 82500255 572033168 /nfs/dbraw/zinc/03/31/68/572033168.db2.gz LOVONBCVCZEXSF-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H](C)[N@@H+](CC)[C@@H]1CCCNC1 82500255 572033172 /nfs/dbraw/zinc/03/31/72/572033172.db2.gz LOVONBCVCZEXSF-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](C(C)C)[N@@H+](C)[C@@H]1CCCNC1 82499257 572033430 /nfs/dbraw/zinc/03/34/30/572033430.db2.gz WVLRHLIHDUOFGO-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C(C)C)N(C)[C@@H]1CCC[NH2+]C1 82499257 572033433 /nfs/dbraw/zinc/03/34/33/572033433.db2.gz WVLRHLIHDUOFGO-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@H+](CC(C)(C)C)[C@H]1CCCNC1 82500389 572033422 /nfs/dbraw/zinc/03/34/22/572033422.db2.gz MTNYVDXCAITVGA-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[N@@H+]([C@@H](C)CC)[C@H]1CCCNC1 82500473 572033454 /nfs/dbraw/zinc/03/34/54/572033454.db2.gz FBZFLLAEEFLSFG-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCN([C@@H](C)CC)[C@H]1CCC[NH2+]C1 82500473 572033456 /nfs/dbraw/zinc/03/34/56/572033456.db2.gz FBZFLLAEEFLSFG-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](C)C[N@H+](CC)[C@@H]1CCCNC1 82500362 572033483 /nfs/dbraw/zinc/03/34/83/572033483.db2.gz QPOOKCDFZCIFFM-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](C)C[N@@H+](CC)[C@@H]1CCCNC1 82500362 572033485 /nfs/dbraw/zinc/03/34/85/572033485.db2.gz QPOOKCDFZCIFFM-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[N@@H+](CC(C)C)[C@H]1CCCNC1 82500465 572033666 /nfs/dbraw/zinc/03/36/66/572033666.db2.gz KZXPMGDIWMKUOT-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCN(CC(C)C)[C@H]1CCC[NH2+]C1 82500465 572033671 /nfs/dbraw/zinc/03/36/71/572033671.db2.gz KZXPMGDIWMKUOT-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](N)[C@H](C)[N@@H+](CC)C1CCCC1 35765946 572033796 /nfs/dbraw/zinc/03/37/96/572033796.db2.gz SJQJSGIXPTUDCX-JQWIXIFHSA-N 1 1 198.354 2.377 10 0 AEAEMO CC[N@H+](C1CCCC1)[C@@H](CN)C(C)C 35765395 572033956 /nfs/dbraw/zinc/03/39/56/572033956.db2.gz OTRNLHJDLLANKV-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](C[C@H](N)C(C)C)C1CCCC1 35766523 572033999 /nfs/dbraw/zinc/03/39/99/572033999.db2.gz PSCAEPZUKHMJDN-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCN(C[C@H]([NH3+])C(C)C)C1CCCC1 35766523 572034003 /nfs/dbraw/zinc/03/40/03/572034003.db2.gz PSCAEPZUKHMJDN-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](CCC(C)=O)C1CCCC1 35773013 572034132 /nfs/dbraw/zinc/03/41/32/572034132.db2.gz MLFGWFQCTGIBPO-UHFFFAOYSA-N 1 1 183.295 2.230 10 0 AEAEMO CC(C)C[N@@H+](C1CC1)[C@H]1CCCC1=O 42558512 572034244 /nfs/dbraw/zinc/03/42/44/572034244.db2.gz RMBSJGAUZZJAJO-NSHDSACASA-N 1 1 195.306 2.228 10 0 AEAEMO CC[N@@H+](C1CCCC1)[C@@](C)(CC)CN 35765655 572035357 /nfs/dbraw/zinc/03/53/57/572035357.db2.gz NRJPONQGRAQFDS-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[N@H+](C1CCCC1)[C@H](CN)C(C)C 35765397 572035372 /nfs/dbraw/zinc/03/53/72/572035372.db2.gz OTRNLHJDLLANKV-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](C1CCCC1)[C@](C)(CC)CN 35765656 572035455 /nfs/dbraw/zinc/03/54/55/572035455.db2.gz NRJPONQGRAQFDS-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[N@@H+](C[C@@H](N)C(C)C)C1CCCC1 35766525 572035543 /nfs/dbraw/zinc/03/55/43/572035543.db2.gz PSCAEPZUKHMJDN-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCN(C[C@@H]([NH3+])C(C)C)C1CCCC1 35766525 572035545 /nfs/dbraw/zinc/03/55/45/572035545.db2.gz PSCAEPZUKHMJDN-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](N)[C@H](C)[N@@H+](CC)C1CCCC1 35765947 572035567 /nfs/dbraw/zinc/03/55/67/572035567.db2.gz SJQJSGIXPTUDCX-CMPLNLGQSA-N 1 1 198.354 2.377 10 0 AEAEMO CCC[C@@H](CN)[N@@H+](CC(C)C)C1CC1 42555252 572036030 /nfs/dbraw/zinc/03/60/30/572036030.db2.gz YYHWADMUAURZMQ-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](N)[C@@H](C)[N@@H+](CC)C1CCCC1 35765944 572035755 /nfs/dbraw/zinc/03/57/55/572035755.db2.gz SJQJSGIXPTUDCX-ZYHUDNBSSA-N 1 1 198.354 2.377 10 0 AEAEMO CCCCC[N@@H+](C(C)C)[C@H](C)CN 42554771 572035971 /nfs/dbraw/zinc/03/59/71/572035971.db2.gz UTYBITUIYGSTFJ-LLVKDONJSA-N 1 1 186.343 2.234 10 0 AEAEMO Cn1cc[nH+]c1Cc1ccccc1 33836168 572036665 /nfs/dbraw/zinc/03/66/65/572036665.db2.gz YKULOVFSPVKQHY-UHFFFAOYSA-N 1 1 172.231 2.011 10 0 AEAEMO CC(C)C[N@@H+](C1CC1)[C@@H]1CCCC1=O 42558509 572036697 /nfs/dbraw/zinc/03/66/97/572036697.db2.gz RMBSJGAUZZJAJO-LLVKDONJSA-N 1 1 195.306 2.228 10 0 AEAEMO CCC1CCC([N@@H+]2CCC(=O)C2)CC1 42580488 572036959 /nfs/dbraw/zinc/03/69/59/572036959.db2.gz UIPQOECHSFJZFD-UHFFFAOYSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC1CCC([N@H+]2CCC(=O)C2)CC1 42580488 572036961 /nfs/dbraw/zinc/03/69/61/572036961.db2.gz UIPQOECHSFJZFD-UHFFFAOYSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@@H](CNC)[N@@H+]1CCC[C@H](C)CC1 82490356 572037569 /nfs/dbraw/zinc/03/75/69/572037569.db2.gz DMSCTQRVPFOWHT-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](CNC)[N@H+]1CCC[C@H](C)CC1 82490356 572037573 /nfs/dbraw/zinc/03/75/73/572037573.db2.gz DMSCTQRVPFOWHT-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC(=O)C[N@H+]1CCC[C@H](C)CC1 82489654 572038262 /nfs/dbraw/zinc/03/82/62/572038262.db2.gz OMZOOOIFMFYYGN-NSHDSACASA-N 1 1 197.322 2.478 10 0 AEAEMO CCCCCC[N@H+]1CCNC[C@@H]1CC 82476483 572038076 /nfs/dbraw/zinc/03/80/76/572038076.db2.gz PDZLLHYZQUVYLH-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCCN1CC[NH2+]C[C@@H]1CC 82476483 572038079 /nfs/dbraw/zinc/03/80/79/572038079.db2.gz PDZLLHYZQUVYLH-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CC[C@@H]1CNCC[N@H+]1CCC(C)(C)C 82476587 572038160 /nfs/dbraw/zinc/03/81/60/572038160.db2.gz CFESBZFHVQVYGX-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](CNC)[N@@H+]1CCC[C@H](C)CC1 82490359 572038355 /nfs/dbraw/zinc/03/83/55/572038355.db2.gz DMSCTQRVPFOWHT-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](CNC)[N@H+]1CCC[C@H](C)CC1 82490359 572038360 /nfs/dbraw/zinc/03/83/60/572038360.db2.gz DMSCTQRVPFOWHT-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](N)C[N@H+]1CCC[C@H](C)CC1 82489141 572038437 /nfs/dbraw/zinc/03/84/37/572038437.db2.gz ZGUJUBCOOPOUAF-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H]([NH3+])CN1CCC[C@H](C)CC1 82489141 572038439 /nfs/dbraw/zinc/03/84/39/572038439.db2.gz ZGUJUBCOOPOUAF-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H](CN)[N@H+]1CCC[C@H](C)CC1 82488990 572038509 /nfs/dbraw/zinc/03/85/09/572038509.db2.gz FOJCSLKNKMYJKQ-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC(C)(C)CN1[C@@H](C)C[NH2+]C[C@@H]1C 713201356 572038554 /nfs/dbraw/zinc/03/85/54/572038554.db2.gz VRHALXPSYMBOKU-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](O)C[N@@H+](C)[C@@H](C)CC(C)C 42589415 572038856 /nfs/dbraw/zinc/03/88/56/572038856.db2.gz LKHOCGKMDQNJIB-WDEREUQCSA-N 1 1 187.327 2.124 10 0 AEAEMO CC(=O)CCC[N@@H+]1CCC[C@H](C)CC1 82489635 572038877 /nfs/dbraw/zinc/03/88/77/572038877.db2.gz JLLYDYVLUJXDNH-NSHDSACASA-N 1 1 197.322 2.478 10 0 AEAEMO CCC(C)(C)C[N@H+]1[C@@H](C)CNC[C@H]1C 713201341 572038891 /nfs/dbraw/zinc/03/88/91/572038891.db2.gz VRHALXPSYMBOKU-PHIMTYICSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(C)(C)CN1[C@@H](C)C[NH2+]C[C@H]1C 713201341 572038895 /nfs/dbraw/zinc/03/88/95/572038895.db2.gz VRHALXPSYMBOKU-PHIMTYICSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)(C)CCC[C@H]([NH3+])c1cn[nH]n1 300907209 572039026 /nfs/dbraw/zinc/03/90/26/572039026.db2.gz RMNVYNBHKAOBIW-QMMMGPOBSA-N 1 1 196.298 2.021 10 0 AEAEMO CC(=O)CCC[N@@H+]1CCC[C@@H](C)CC1 82489633 572039045 /nfs/dbraw/zinc/03/90/45/572039045.db2.gz JLLYDYVLUJXDNH-LLVKDONJSA-N 1 1 197.322 2.478 10 0 AEAEMO CCC(C)(C)C[N@H+]1C[C@@H](C)C[C@H](O)C1 713201355 572039072 /nfs/dbraw/zinc/03/90/72/572039072.db2.gz ZBSKFBXYVOZLQM-QWRGUYRKSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@@H](CN)[N@H+]1CCC[C@H](C)CC1 82488988 572039106 /nfs/dbraw/zinc/03/91/06/572039106.db2.gz FOJCSLKNKMYJKQ-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H]1CCC[N@H+]([C@@H](C)[C@H](N)CC)C1 36169390 572039276 /nfs/dbraw/zinc/03/92/76/572039276.db2.gz INWPYLKCBXEGDG-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CCCN([C@@H](C)[C@H]([NH3+])CC)C1 36169390 572039278 /nfs/dbraw/zinc/03/92/78/572039278.db2.gz INWPYLKCBXEGDG-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]1CCC[N@@H+](C[C@H](N)C(C)C)C1 36169907 572039502 /nfs/dbraw/zinc/03/95/02/572039502.db2.gz GUEINFURLVYBMZ-RYUDHWBXSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H]1CCCN(C[C@H]([NH3+])C(C)C)C1 36169907 572039503 /nfs/dbraw/zinc/03/95/03/572039503.db2.gz GUEINFURLVYBMZ-RYUDHWBXSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(C)(C)CN1[C@H](C)C[NH2+]C[C@H]1C 713201330 572039675 /nfs/dbraw/zinc/03/96/75/572039675.db2.gz VRHALXPSYMBOKU-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](CN)[N@H+]1CCC[C@H](CC)C1 36169187 572039752 /nfs/dbraw/zinc/03/97/52/572039752.db2.gz TZHOHRGTVDUJKS-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@H](CN)[N@H+]1CCC[C@H](CC)C1 36169186 572039963 /nfs/dbraw/zinc/03/99/63/572039963.db2.gz TZHOHRGTVDUJKS-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCNC[C@@H]1CC 82476546 572039977 /nfs/dbraw/zinc/03/99/77/572039977.db2.gz ZWFXAIYVKWZXAB-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)CN1CC[NH2+]C[C@@H]1CC 82476546 572039981 /nfs/dbraw/zinc/03/99/81/572039981.db2.gz ZWFXAIYVKWZXAB-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC(C)(C)C[N@@H+]1C[C@@H](O)C[C@@H](C)C1 713201353 572040014 /nfs/dbraw/zinc/04/00/14/572040014.db2.gz ZBSKFBXYVOZLQM-MNOVXSKESA-N 1 1 199.338 2.125 10 0 AEAEMO CCCC(=O)C[N@H+]1CCC[C@@H](C)CC1 82489656 572040069 /nfs/dbraw/zinc/04/00/69/572040069.db2.gz OMZOOOIFMFYYGN-LLVKDONJSA-N 1 1 197.322 2.478 10 0 AEAEMO C[C@H]1CCC[N@H+]([C@@H]2CCC[C@@H]2O)CC1 82489705 572040198 /nfs/dbraw/zinc/04/01/98/572040198.db2.gz XZGPACHGKQBJFF-TUAOUCFPSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[C@@H](N)C[N@H+]1CCC[C@H](C)CC1 82489142 572040472 /nfs/dbraw/zinc/04/04/72/572040472.db2.gz ZGUJUBCOOPOUAF-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@H]([NH3+])CN1CCC[C@H](C)CC1 82489142 572040475 /nfs/dbraw/zinc/04/04/75/572040475.db2.gz ZGUJUBCOOPOUAF-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H]1CCC[N@H+]([C@@H](CN)C(C)C)C1 36169177 572040479 /nfs/dbraw/zinc/04/04/79/572040479.db2.gz WEDNFQOBAQABCR-RYUDHWBXSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H]1CCC[N@H+]([C@@](C)(CC)CN)C1 36169282 572040534 /nfs/dbraw/zinc/04/05/34/572040534.db2.gz MZYWRZGLUZPDBZ-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)(C)CCC[C@@H]([NH3+])c1cn[nH]n1 300907200 572040580 /nfs/dbraw/zinc/04/05/80/572040580.db2.gz RMNVYNBHKAOBIW-MRVPVSSYSA-N 1 1 196.298 2.021 10 0 AEAEMO CC[C@@H]1CCC[N@H+]([C@@H](CN)C(C)C)C1 36169176 572040591 /nfs/dbraw/zinc/04/05/91/572040591.db2.gz WEDNFQOBAQABCR-NEPJUHHUSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H]1CNCC[N@H+]1CCC(C)(C)C 82476588 572040666 /nfs/dbraw/zinc/04/06/66/572040666.db2.gz CFESBZFHVQVYGX-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCC(C)(C)C[N@H+]1C[C@@H](C)C[C@@H](O)C1 713201359 572040995 /nfs/dbraw/zinc/04/09/95/572040995.db2.gz ZBSKFBXYVOZLQM-WDEREUQCSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H](N)[C@@H](C)[N@@H+](C)CC1CCCC1 82492291 572041334 /nfs/dbraw/zinc/04/13/34/572041334.db2.gz NOGKFCBTNCAALE-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]([NH3+])[C@@H](C)N(C)CC1CCCC1 82492291 572041335 /nfs/dbraw/zinc/04/13/35/572041335.db2.gz NOGKFCBTNCAALE-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[N@@H+](C[C@H](C)N)[C@@H](C)CC 42607067 572041385 /nfs/dbraw/zinc/04/13/85/572041385.db2.gz RTRMSCKLWLJZRN-QWRGUYRKSA-N 1 1 186.343 2.234 10 0 AEAEMO C[C@H]1CCCN[C@H]1C[NH2+]CC(C)(C)C 235594478 572041583 /nfs/dbraw/zinc/04/15/83/572041583.db2.gz HPKZAAWEBYZBIL-QWRGUYRKSA-N 1 1 198.354 2.010 10 0 AEAEMO CC[C@H](N)[C@H](C)[N@@H+](C)CC1CCCC1 82492293 572041648 /nfs/dbraw/zinc/04/16/48/572041648.db2.gz NOGKFCBTNCAALE-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]([NH3+])[C@H](C)N(C)CC1CCCC1 82492293 572041653 /nfs/dbraw/zinc/04/16/53/572041653.db2.gz NOGKFCBTNCAALE-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](CN)[N@@H+](C)CC1CCCC1 82492127 572041770 /nfs/dbraw/zinc/04/17/70/572041770.db2.gz IKKODMTXAROFBF-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(=O)CCC[N@H+](C)CC1CCCC1 82492565 572041827 /nfs/dbraw/zinc/04/18/27/572041827.db2.gz XPOQFCWUCSFHTM-UHFFFAOYSA-N 1 1 197.322 2.478 10 0 AEAEMO CC[C@H](N)[C@@H](C)[N@@H+](C)CC1CCCC1 82492289 572041802 /nfs/dbraw/zinc/04/18/02/572041802.db2.gz NOGKFCBTNCAALE-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]([NH3+])[C@@H](C)N(C)CC1CCCC1 82492289 572041805 /nfs/dbraw/zinc/04/18/05/572041805.db2.gz NOGKFCBTNCAALE-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](O)[C@H](C)[N@@H+](C)CC1CCCC1 82492679 572042257 /nfs/dbraw/zinc/04/22/57/572042257.db2.gz ZQAQVGODUFLLBI-CMPLNLGQSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H](CNC)[N@H+](C)CC1CCCC1 82493063 572042028 /nfs/dbraw/zinc/04/20/28/572042028.db2.gz YBSOZBMPWLJADU-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](CNC)[N@@H+](C)CC1CCCC1 82493063 572042029 /nfs/dbraw/zinc/04/20/29/572042029.db2.gz YBSOZBMPWLJADU-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H]1CCC[N@H+]([C@@](C)(CC)CN)C1 36169283 572042104 /nfs/dbraw/zinc/04/21/04/572042104.db2.gz MZYWRZGLUZPDBZ-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@H](N)C[N@@H+](C)CC1CCCC1 82492342 572042436 /nfs/dbraw/zinc/04/24/36/572042436.db2.gz ALSBHQIEIZZVOM-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@H]([NH3+])CN(C)CC1CCCC1 82492342 572042437 /nfs/dbraw/zinc/04/24/37/572042437.db2.gz ALSBHQIEIZZVOM-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CN[C@H](C)[C@@H](C)[N@H+](C)CC1CCCC1 82492333 572042471 /nfs/dbraw/zinc/04/24/71/572042471.db2.gz CFJQGSUUKBIDJS-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CN[C@H](C)[C@@H](C)[N@@H+](C)CC1CCCC1 82492333 572042474 /nfs/dbraw/zinc/04/24/74/572042474.db2.gz CFJQGSUUKBIDJS-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](CNC)[N@H+](C)CC1CCCC1 82493065 572042518 /nfs/dbraw/zinc/04/25/18/572042518.db2.gz YBSOZBMPWLJADU-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](CNC)[N@@H+](C)CC1CCCC1 82493065 572042521 /nfs/dbraw/zinc/04/25/21/572042521.db2.gz YBSOZBMPWLJADU-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](O)[C@@H](C)[N@@H+](C)CC1CCCC1 82492674 572042672 /nfs/dbraw/zinc/04/26/72/572042672.db2.gz ZQAQVGODUFLLBI-PWSUYJOCSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[C@H](N)C[N@@H+](C)CC1CCCC1 82493347 572042739 /nfs/dbraw/zinc/04/27/39/572042739.db2.gz ZEOJJQSHXOPOGJ-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)[C@H]([NH3+])CN(C)CC1CCCC1 82493347 572042741 /nfs/dbraw/zinc/04/27/41/572042741.db2.gz ZEOJJQSHXOPOGJ-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)CC[N@H+]1C[C@@H](C)NC(C)(C)C1 219726405 572043100 /nfs/dbraw/zinc/04/31/00/572043100.db2.gz KYBVNHJCGSSYNU-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(=O)C[N@@H+](C)CC1CCCC1 82492556 572043179 /nfs/dbraw/zinc/04/31/79/572043179.db2.gz MSEDLPBTUFAGNB-UHFFFAOYSA-N 1 1 183.295 2.088 10 0 AEAEMO CN[C@@H](C)[C@@H](C)[N@@H+](C)CC1CCCC1 82492331 572043636 /nfs/dbraw/zinc/04/36/36/572043636.db2.gz CFJQGSUUKBIDJS-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H](CN)[N@@H+](C)CC1CCCC1 82492126 572043208 /nfs/dbraw/zinc/04/32/08/572043208.db2.gz IKKODMTXAROFBF-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)[C@@H](CN)[N@@H+](C)CC1CCCC1 82492083 572043246 /nfs/dbraw/zinc/04/32/46/572043246.db2.gz RMUFZUATXIHZEH-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(=O)[C@@H](C)[N@@H+](C)CC1CCCC1 82492575 572043327 /nfs/dbraw/zinc/04/33/27/572043327.db2.gz YKBUJQGBMUVUPZ-SECBINFHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(=O)[C@H](C)[N@@H+](C)CC1CCCC1 82492573 572043338 /nfs/dbraw/zinc/04/33/38/572043338.db2.gz YKBUJQGBMUVUPZ-VIFPVBQESA-N 1 1 183.295 2.086 10 0 AEAEMO CCC[C@H](N)C[N@@H+](C)CC1CCCC1 82492341 572043432 /nfs/dbraw/zinc/04/34/32/572043432.db2.gz ALSBHQIEIZZVOM-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H]([NH3+])CN(C)CC1CCCC1 82492341 572043434 /nfs/dbraw/zinc/04/34/34/572043434.db2.gz ALSBHQIEIZZVOM-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)(C)CCC[N@H+](CCN)C1CC1 300912789 572043494 /nfs/dbraw/zinc/04/34/94/572043494.db2.gz YDKGBEAVCLOPSQ-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H](N)[C@H](C)[N@@H+](C)CC1CCCC1 82492294 572043495 /nfs/dbraw/zinc/04/34/95/572043495.db2.gz NOGKFCBTNCAALE-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)(C)CCC[N@@H+](CCN)C1CC1 300912789 572043497 /nfs/dbraw/zinc/04/34/97/572043497.db2.gz YDKGBEAVCLOPSQ-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H]([NH3+])[C@H](C)N(C)CC1CCCC1 82492294 572043498 /nfs/dbraw/zinc/04/34/98/572043498.db2.gz NOGKFCBTNCAALE-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CN[C@@H](C)[C@@H](C)[N@H+](C)CC1CCCC1 82492331 572043635 /nfs/dbraw/zinc/04/36/35/572043635.db2.gz CFJQGSUUKBIDJS-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[C@@H](C)C[N@@H+](C)CC1(O)CCC1 687820085 572043999 /nfs/dbraw/zinc/04/39/99/572043999.db2.gz AVABRQZJJWLQKY-NSHDSACASA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)C[C@@H](C)C[C@]1(O)CC[N@@H+](C)C1 300916209 572044259 /nfs/dbraw/zinc/04/42/59/572044259.db2.gz MLBLAULTHMYIOH-VXGBXAGGSA-N 1 1 199.338 2.125 10 0 AEAEMO CCCC[N@@H+](CC)CCCC(C)=O 37322421 572044466 /nfs/dbraw/zinc/04/44/66/572044466.db2.gz URYDKCCWALBOOJ-UHFFFAOYSA-N 1 1 185.311 2.478 10 0 AEAEMO CC(C)[C@H](C)C[N@@H+](C)CC1(O)CCC1 687820084 572045868 /nfs/dbraw/zinc/04/58/68/572045868.db2.gz AVABRQZJJWLQKY-LLVKDONJSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)CCCC(C)=O 37328835 572045437 /nfs/dbraw/zinc/04/54/37/572045437.db2.gz NALRRPJFOSKQMM-SNVBAGLBSA-N 1 1 185.311 2.476 10 0 AEAEMO CC(C)C[C@H](C)C[C@]1(O)CC[N@@H+](C)C1 300916201 572045482 /nfs/dbraw/zinc/04/54/82/572045482.db2.gz MLBLAULTHMYIOH-NWDGAFQWSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)C[C@H](C)C[C@@]1(O)CC[N@@H+](C)C1 300916205 572045654 /nfs/dbraw/zinc/04/56/54/572045654.db2.gz MLBLAULTHMYIOH-RYUDHWBXSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)CC[N@H+]1[C@@H](C)CCNC[C@@H]1C 219727819 572045658 /nfs/dbraw/zinc/04/56/58/572045658.db2.gz GCDKSQOOBNTKSY-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(=O)CCC[N@H+](C)[C@H](C)C(C)C 37328769 572045832 /nfs/dbraw/zinc/04/58/32/572045832.db2.gz ZBFUYLSTMWKQEP-LLVKDONJSA-N 1 1 185.311 2.332 10 0 AEAEMO CCCC[N@H+]1C[C@@H](C)NCCC1(C)C 219729380 572047035 /nfs/dbraw/zinc/04/70/35/572047035.db2.gz MKDGGJJJMJRNNY-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)[N@H+]1CC(C)(C)NCCC1(C)C 219730758 572047383 /nfs/dbraw/zinc/04/73/83/572047383.db2.gz OYVLHBXQRUQPLA-UHFFFAOYSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[NH2+][C@@H](C(F)F)C(C)(C)SC 687703837 572047696 /nfs/dbraw/zinc/04/76/96/572047696.db2.gz NJTFOFOHHDYOCN-LURJTMIESA-N 1 1 197.294 2.371 10 0 AEAEMO CCOC(CC)(CC)[C@@H]([NH3+])C(F)F 687707315 572057690 /nfs/dbraw/zinc/05/76/90/572057690.db2.gz VTCHBZXCDWCKNN-ZETCQYMHSA-N 1 1 195.253 2.174 10 0 AEAEMO CCCCC[N@H+]1CC[C@@H](C)NC[C@@H]1C 219735784 572048698 /nfs/dbraw/zinc/04/86/98/572048698.db2.gz AAWIJTUGYSQZEC-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCCN1CC[C@@H](C)[NH2+]C[C@@H]1C 219735784 572048699 /nfs/dbraw/zinc/04/86/99/572048699.db2.gz AAWIJTUGYSQZEC-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C)c1noc([C@H]([NH3+])C(C)C)n1 82561205 572049211 /nfs/dbraw/zinc/04/92/11/572049211.db2.gz IQDNTRVICUIEFR-JGVFFNPUSA-N 1 1 197.282 2.239 10 0 AEAEMO CC[C@@H](C)c1noc([C@@H](CC)[NH2+]C)n1 82561200 572049252 /nfs/dbraw/zinc/04/92/52/572049252.db2.gz GHQWJMPYODSNMN-HTQZYQBOSA-N 1 1 197.282 2.254 10 0 AEAEMO CCC[C@H]([NH3+])c1nc([C@H](C)CC)no1 82561060 572050016 /nfs/dbraw/zinc/05/00/16/572050016.db2.gz XPSIEKWYDXRWOT-SFYZADRCSA-N 1 1 197.282 2.383 10 0 AEAEMO CC[C@H](C)c1noc([C@@H](CC)[NH2+]C)n1 82561201 572049469 /nfs/dbraw/zinc/04/94/69/572049469.db2.gz GHQWJMPYODSNMN-JGVFFNPUSA-N 1 1 197.282 2.254 10 0 AEAEMO CCC[C@H]([NH3+])c1nc([C@@H](C)CC)no1 82561058 572049802 /nfs/dbraw/zinc/04/98/02/572049802.db2.gz XPSIEKWYDXRWOT-YUMQZZPRSA-N 1 1 197.282 2.383 10 0 AEAEMO CC[N@H+]1C[C@H]([NH3+])C[C@@H](CC(C)(C)C)C1 250212612 572050087 /nfs/dbraw/zinc/05/00/87/572050087.db2.gz CTHKQPROVZNDLU-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)c1noc([C@H](CC)[NH2+]C)n1 82561203 572050110 /nfs/dbraw/zinc/05/01/10/572050110.db2.gz GHQWJMPYODSNMN-YUMQZZPRSA-N 1 1 197.282 2.254 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)[C@@H]1CCCCC1=O 37337009 572050150 /nfs/dbraw/zinc/05/01/50/572050150.db2.gz RYSFYLXQWJPCIB-GHMZBOCLSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@H]([NH2+]C)c1nc([C@H](C)CC)no1 82561202 572050203 /nfs/dbraw/zinc/05/02/03/572050203.db2.gz GHQWJMPYODSNMN-SFYZADRCSA-N 1 1 197.282 2.254 10 0 AEAEMO CC(C)CCN1CC[C@H](C)[NH2+]C[C@H]1C 219735627 572050957 /nfs/dbraw/zinc/05/09/57/572050957.db2.gz BCIWHHYWRYGJNQ-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]([NH3+])c1nc([C@H](C)CC)no1 82561061 572050248 /nfs/dbraw/zinc/05/02/48/572050248.db2.gz XPSIEKWYDXRWOT-HTQZYQBOSA-N 1 1 197.282 2.383 10 0 AEAEMO C1CCN[C@H]([NH+]2CCCCCC2)CC1 34071186 572050339 /nfs/dbraw/zinc/05/03/39/572050339.db2.gz UWSCJICCRXNKCK-GFCCVEGCSA-N 1 1 196.338 2.352 10 0 AEAEMO CC[C@H](C)c1noc(C(C)(C)[NH2+]C)n1 82561165 572050460 /nfs/dbraw/zinc/05/04/60/572050460.db2.gz JWJSJWRFWIFHHK-ZETCQYMHSA-N 1 1 197.282 2.038 10 0 AEAEMO CC[C@@H](C)c1noc([C@@H]([NH3+])C(C)C)n1 82561206 572050866 /nfs/dbraw/zinc/05/08/66/572050866.db2.gz IQDNTRVICUIEFR-SFYZADRCSA-N 1 1 197.282 2.239 10 0 AEAEMO CC[C@H](C)c1noc([C@@H]([NH3+])C(C)C)n1 82561207 572050904 /nfs/dbraw/zinc/05/09/04/572050904.db2.gz IQDNTRVICUIEFR-YUMQZZPRSA-N 1 1 197.282 2.239 10 0 AEAEMO CC(C)CC[N@H+]1CC[C@H](C)NC[C@H]1C 219735627 572050954 /nfs/dbraw/zinc/05/09/54/572050954.db2.gz BCIWHHYWRYGJNQ-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]([NH3+])c1nc([C@@H](C)CC)no1 82561059 572050991 /nfs/dbraw/zinc/05/09/91/572050991.db2.gz XPSIEKWYDXRWOT-JGVFFNPUSA-N 1 1 197.282 2.383 10 0 AEAEMO CC[N@@H+]1C[C@@H](CC(C)(C)C)C[C@@H]([NH3+])C1 250212609 572050997 /nfs/dbraw/zinc/05/09/97/572050997.db2.gz CTHKQPROVZNDLU-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO C1CCN[C@@H]([NH+]2CCCCCC2)CC1 34071187 572051032 /nfs/dbraw/zinc/05/10/32/572051032.db2.gz UWSCJICCRXNKCK-LBPRGKRZSA-N 1 1 196.338 2.352 10 0 AEAEMO CC[C@@H](C)c1noc(C(C)(C)[NH2+]C)n1 82561164 572051183 /nfs/dbraw/zinc/05/11/83/572051183.db2.gz JWJSJWRFWIFHHK-SSDOTTSWSA-N 1 1 197.282 2.038 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@H](C)CNCC1(C)C 219733195 572051279 /nfs/dbraw/zinc/05/12/79/572051279.db2.gz FUFJUIONLIWGPY-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[N@H+]1CC[C@H](C)NCC1(C)C 219736534 572051324 /nfs/dbraw/zinc/05/13/24/572051324.db2.gz MOIVOOGDDCKBBJ-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCN1CC[C@H](C)[NH2+]CC1(C)C 219736534 572051326 /nfs/dbraw/zinc/05/13/26/572051326.db2.gz MOIVOOGDDCKBBJ-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[NH2+][C@H](C)c1nc([C@H](C)CC)no1 82563154 572051515 /nfs/dbraw/zinc/05/15/15/572051515.db2.gz GQJAJQQZCMLTLN-HTQZYQBOSA-N 1 1 197.282 2.254 10 0 AEAEMO Cc1nc2cc(CO)c(Cl)cc2[nH]1 34076403 572052317 /nfs/dbraw/zinc/05/23/17/572052317.db2.gz GLHVXNUGJRFAJX-UHFFFAOYSA-N 1 1 196.637 2.017 10 0 AEAEMO CC[C@H](C)c1nc(C[NH2+]C(C)C)c[nH]1 82562999 572052168 /nfs/dbraw/zinc/05/21/68/572052168.db2.gz WVMLOMACVCQANH-VIFPVBQESA-N 1 1 195.310 2.421 10 0 AEAEMO CC[NH2+]Cc1c[nH]c([C@H](C)CC)n1 82562994 572052451 /nfs/dbraw/zinc/05/24/51/572052451.db2.gz RKASJCZCTDYVIL-MRVPVSSYSA-N 1 1 181.283 2.033 10 0 AEAEMO CC[C@H](C)c1nc(C[NH2+]C2CC2)c[nH]1 82563001 572052789 /nfs/dbraw/zinc/05/27/89/572052789.db2.gz PUOIVNGTVTVRLI-QMMMGPOBSA-N 1 1 193.294 2.175 10 0 AEAEMO CC[NH2+][C@@H](C)c1nc([C@H](C)CC)no1 82563156 572053416 /nfs/dbraw/zinc/05/34/16/572053416.db2.gz GQJAJQQZCMLTLN-SFYZADRCSA-N 1 1 197.282 2.254 10 0 AEAEMO CCC[NH2+]Cc1c[nH]c([C@H](C)CC)n1 82562997 572053509 /nfs/dbraw/zinc/05/35/09/572053509.db2.gz FGRXXNCLMNTYME-SECBINFHSA-N 1 1 195.310 2.423 10 0 AEAEMO CC[NH2+][C@@H](C)c1nc([C@@H](C)CC)no1 82563157 572053773 /nfs/dbraw/zinc/05/37/73/572053773.db2.gz GQJAJQQZCMLTLN-YUMQZZPRSA-N 1 1 197.282 2.254 10 0 AEAEMO CC[NH2+][C@H](C)c1nc([C@@H](C)CC)no1 82563155 572053848 /nfs/dbraw/zinc/05/38/48/572053848.db2.gz GQJAJQQZCMLTLN-JGVFFNPUSA-N 1 1 197.282 2.254 10 0 AEAEMO CC[NH2+]Cc1c[nH]c([C@@H](C)CC)n1 82562995 572053917 /nfs/dbraw/zinc/05/39/17/572053917.db2.gz RKASJCZCTDYVIL-QMMMGPOBSA-N 1 1 181.283 2.033 10 0 AEAEMO CCC(CC)(OC)[C@@H]([NH2+]C)C(F)F 687706481 572053990 /nfs/dbraw/zinc/05/39/90/572053990.db2.gz PFRDBTPJTSPKKH-ZETCQYMHSA-N 1 1 195.253 2.045 10 0 AEAEMO CC[C@@H](C)c1nc(C[NH2+]C2CC2)c[nH]1 82563000 572054138 /nfs/dbraw/zinc/05/41/38/572054138.db2.gz PUOIVNGTVTVRLI-MRVPVSSYSA-N 1 1 193.294 2.175 10 0 AEAEMO CCC[NH2+]Cc1c[nH]c([C@@H](C)CC)n1 82562996 572054197 /nfs/dbraw/zinc/05/41/97/572054197.db2.gz FGRXXNCLMNTYME-VIFPVBQESA-N 1 1 195.310 2.423 10 0 AEAEMO CC[C@@H](C)c1nc(C[NH2+]C(C)C)c[nH]1 82562998 572054281 /nfs/dbraw/zinc/05/42/81/572054281.db2.gz WVMLOMACVCQANH-SECBINFHSA-N 1 1 195.310 2.421 10 0 AEAEMO CS[C@H]1CC[C@@H]([NH2+]CC(F)F)C1 235088507 572055328 /nfs/dbraw/zinc/05/53/28/572055328.db2.gz KIDURBKPNOSWBO-RQJHMYQMSA-N 1 1 195.278 2.125 10 0 AEAEMO CCC[N@H+]1CCC[C@@H]2CCC(=O)C[C@@H]21 34113684 572055365 /nfs/dbraw/zinc/05/53/65/572055365.db2.gz YTKLOWRSQNENCY-PWSUYJOCSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC(CC)(OC)[C@H]([NH2+]C)C(F)F 687706479 572056587 /nfs/dbraw/zinc/05/65/87/572056587.db2.gz PFRDBTPJTSPKKH-SSDOTTSWSA-N 1 1 195.253 2.045 10 0 AEAEMO CC[C@H](C)[N@@H+](CCN)C1CCCCC1 82594270 572057164 /nfs/dbraw/zinc/05/71/64/572057164.db2.gz QQAUFMFGWAYPOE-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@H](CN)[N@@H+](C)C1CCCCCC1 36328238 572057599 /nfs/dbraw/zinc/05/75/99/572057599.db2.gz GVBLOVZKFLIJJH-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@@H](CN)[N@@H+](C)C1CCCCCC1 36328237 572057487 /nfs/dbraw/zinc/05/74/87/572057487.db2.gz GVBLOVZKFLIJJH-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CCC(CC)[N@H+](CCN)[C@@H](C)CC 82596401 572057665 /nfs/dbraw/zinc/05/76/65/572057665.db2.gz KKQWHZJGJFBJGJ-JTQLQIEISA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[N@@H+](CCN)C(CC)CC 82596437 572057683 /nfs/dbraw/zinc/05/76/83/572057683.db2.gz XJSLGANOEAXMRC-UHFFFAOYSA-N 1 1 186.343 2.236 10 0 AEAEMO CCC[C@H](OCC)[C@H]([NH2+]C)C(F)F 687707374 572058903 /nfs/dbraw/zinc/05/89/03/572058903.db2.gz YZZMOGLSPRWANT-YUMQZZPRSA-N 1 1 195.253 2.045 10 0 AEAEMO CCC[C@@H](OCC)[C@@H]([NH2+]C)C(F)F 687707371 572058975 /nfs/dbraw/zinc/05/89/75/572058975.db2.gz YZZMOGLSPRWANT-HTQZYQBOSA-N 1 1 195.253 2.045 10 0 AEAEMO CCC[N@@H+](C)C[C@@H]1C[C@@H](C)CC[C@H]1O 250013716 572059060 /nfs/dbraw/zinc/05/90/60/572059060.db2.gz LLHBUJLDCIHYLW-SDDRHHMPSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC(CC)[N@H+](CCN)[C@H](C)CC 82596398 572059787 /nfs/dbraw/zinc/05/97/87/572059787.db2.gz KKQWHZJGJFBJGJ-SNVBAGLBSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[N@@H+](C)C[C@@H]1C[C@H](C)CC[C@H]1O 250013713 572060274 /nfs/dbraw/zinc/06/02/74/572060274.db2.gz LLHBUJLDCIHYLW-GRYCIOLGSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H]([N@H+](C)[C@@H]1CCCNC1)C(C)(C)C 42768031 572060348 /nfs/dbraw/zinc/06/03/48/572060348.db2.gz GHKCERSJZJTSKM-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@H]([N@@H+](C)[C@@H]1CCCNC1)C(C)(C)C 42768031 572060351 /nfs/dbraw/zinc/06/03/51/572060351.db2.gz GHKCERSJZJTSKM-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C 34165335 572060396 /nfs/dbraw/zinc/06/03/96/572060396.db2.gz ZKEPUGZPBKHGLT-ZYHUDNBSSA-N 1 1 175.275 2.494 10 0 AEAEMO CCC[C@@H](OCC)[C@H]([NH2+]C)C(F)F 687707373 572060580 /nfs/dbraw/zinc/06/05/80/572060580.db2.gz YZZMOGLSPRWANT-SFYZADRCSA-N 1 1 195.253 2.045 10 0 AEAEMO CCOC(=[NH2+])C[C@@H]1C[C@@H]1C 34179305 572061334 /nfs/dbraw/zinc/06/13/34/572061334.db2.gz VDBAHNDDLGAVPO-BQBZGAKWSA-N 1 1 141.214 2.046 10 0 AEAEMO CC[C@@H](C)C[N@H+]1[C@H]2CC[C@@H]1CC(O)C2 82598248 572063349 /nfs/dbraw/zinc/06/33/49/572063349.db2.gz LDKRFINVNXIQHY-YIBTVLSRSA-N 1 1 197.322 2.020 10 0 AEAEMO CC[C@H](C)C[N@H+]1[C@H]2CC[C@@H]1CC(O)C2 82598250 572063473 /nfs/dbraw/zinc/06/34/73/572063473.db2.gz LDKRFINVNXIQHY-WSMDXJOWSA-N 1 1 197.322 2.020 10 0 AEAEMO CCCCC[N@H+]1[C@H]2CC[C@@H]1CC(O)C2 82598316 572063697 /nfs/dbraw/zinc/06/36/97/572063697.db2.gz CMNWIMAHZRMBKT-FOSCPWQOSA-N 1 1 197.322 2.164 10 0 AEAEMO CC(C)(O)CC[N@H+]1C[C@@H]2CCCC[C@H]21 687820793 572063785 /nfs/dbraw/zinc/06/37/85/572063785.db2.gz IRUIARBYADRKHL-WDEREUQCSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@](C)(CC)CN 36788831 572063968 /nfs/dbraw/zinc/06/39/68/572063968.db2.gz IGEJSDOHGXJLRW-NSHDSACASA-N 1 1 186.343 2.234 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)C1(CN)CCCC1 36786914 572064094 /nfs/dbraw/zinc/06/40/94/572064094.db2.gz KGMBYAFYXGBNSS-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H](CN)[N@@H+](C)[C@@H](C)C(C)C 36786895 572064472 /nfs/dbraw/zinc/06/44/72/572064472.db2.gz SKBXYUYYOSIVIA-QWRGUYRKSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@H](CN)C(C)C 36788748 572064482 /nfs/dbraw/zinc/06/44/82/572064482.db2.gz CPPVHKLTLHOAKH-NSHDSACASA-N 1 1 186.343 2.090 10 0 AEAEMO C[C@H](C1CC1)[N@@H+](C)C[C@H](N)C(C)(C)C 36785215 572066303 /nfs/dbraw/zinc/06/63/03/572066303.db2.gz XSPRQRMSIRVONN-KOLCDFICSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)[C@@](C)(CN)C1CC1 36787026 572064696 /nfs/dbraw/zinc/06/46/96/572064696.db2.gz OAOWTZAEZBCHIF-JQWIXIFHSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC(CC)[N@@H+](C)C[C@H](N)C(C)C 36789308 572064763 /nfs/dbraw/zinc/06/47/63/572064763.db2.gz URKQTSZRYICMQS-NSHDSACASA-N 1 1 186.343 2.090 10 0 AEAEMO CCC(CC)N(C)C[C@H]([NH3+])C(C)C 36789308 572064765 /nfs/dbraw/zinc/06/47/65/572064765.db2.gz URKQTSZRYICMQS-NSHDSACASA-N 1 1 186.343 2.090 10 0 AEAEMO CC(C)(O)CC[N@H+]1C[C@H]2CCCC[C@@H]21 687820792 572064845 /nfs/dbraw/zinc/06/48/45/572064845.db2.gz IRUIARBYADRKHL-MNOVXSKESA-N 1 1 197.322 2.022 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@H](CN)C(C)C 36788749 572064853 /nfs/dbraw/zinc/06/48/53/572064853.db2.gz CPPVHKLTLHOAKH-LLVKDONJSA-N 1 1 186.343 2.090 10 0 AEAEMO CC(C)CC[N@H+]1[C@H]2CC[C@@H]1CC(O)C2 82598053 572064974 /nfs/dbraw/zinc/06/49/74/572064974.db2.gz MAYDSOHFJRJANV-FOSCPWQOSA-N 1 1 197.322 2.020 10 0 AEAEMO CCC(CC)N(C)c1ccc(N)c[nH+]1 36788888 572064997 /nfs/dbraw/zinc/06/49/97/572064997.db2.gz LMAOSDUFMJPOQR-UHFFFAOYSA-N 1 1 193.294 2.289 10 0 AEAEMO CCC(CC)[N@H+](C)C[C@H]1CCCCN1 36789293 572065033 /nfs/dbraw/zinc/06/50/33/572065033.db2.gz AOAQIFAVINJHQO-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)[N@@H+](C)C[C@H]1CCCCN1 36789293 572065037 /nfs/dbraw/zinc/06/50/37/572065037.db2.gz AOAQIFAVINJHQO-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO C[C@@H](C1CC1)[N@@H+](C)C[C@H](N)C(C)(C)C 36785214 572065245 /nfs/dbraw/zinc/06/52/45/572065245.db2.gz XSPRQRMSIRVONN-ONGXEEELSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@@H](C1CC1)N(C)C[C@H]([NH3+])C(C)(C)C 36785214 572065246 /nfs/dbraw/zinc/06/52/46/572065246.db2.gz XSPRQRMSIRVONN-ONGXEEELSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)[C@@](C)(CN)C1CC1 36787025 572065252 /nfs/dbraw/zinc/06/52/52/572065252.db2.gz OAOWTZAEZBCHIF-PWSUYJOCSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC[C@H](CN)[N@@H+](C)C(CC)CC 36788755 572065417 /nfs/dbraw/zinc/06/54/17/572065417.db2.gz FBSNRRGLISAGNX-LLVKDONJSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@H](C)[C@@H](N)C[N@@H+](C)[C@@H](C)C1CC1 36785601 572065685 /nfs/dbraw/zinc/06/56/85/572065685.db2.gz LSENVORMHNUFGU-NHCYSSNCSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@H](C)[C@@H]([NH3+])CN(C)[C@@H](C)C1CC1 36785601 572065686 /nfs/dbraw/zinc/06/56/86/572065686.db2.gz LSENVORMHNUFGU-NHCYSSNCSA-N 1 1 198.354 2.090 10 0 AEAEMO CN[C@H](C)[C@@H]1CCCC[N@@H+]1CC(C)C 82646923 572065775 /nfs/dbraw/zinc/06/57/75/572065775.db2.gz HHQIAXJAYJCRTH-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]C)C1 82646485 572065880 /nfs/dbraw/zinc/06/58/80/572065880.db2.gz DXYJCQCBHHZCTB-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](N)[C@H](C)[N@@H+](C)[C@@H](C)C(C)C 36787161 572065937 /nfs/dbraw/zinc/06/59/37/572065937.db2.gz KZIMIPNRPNGASP-DCAQKATOSA-N 1 1 186.343 2.089 10 0 AEAEMO CCC[C@@H](CN)[N@@H+](C)C(CC)CC 36788754 572065991 /nfs/dbraw/zinc/06/59/91/572065991.db2.gz FBSNRRGLISAGNX-NSHDSACASA-N 1 1 186.343 2.234 10 0 AEAEMO C[C@H](C1CC1)N(C)C[C@H]([NH3+])C(C)(C)C 36785215 572066305 /nfs/dbraw/zinc/06/63/05/572066305.db2.gz XSPRQRMSIRVONN-KOLCDFICSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C(C)C)C1 82646641 572066376 /nfs/dbraw/zinc/06/63/76/572066376.db2.gz YXAADTUAPXKLDR-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(CC)[N@@H+](C)C1(CN)CCCC1 36788769 572066420 /nfs/dbraw/zinc/06/64/20/572066420.db2.gz AITIGISSYSZHJY-UHFFFAOYSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@](C)(CN)C1CC1 36788862 572066565 /nfs/dbraw/zinc/06/65/65/572066565.db2.gz CZASOXDZKVODEO-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@](C)(CN)[N@@H+](C)[C@@H](C)C(C)C 36786988 572066682 /nfs/dbraw/zinc/06/66/82/572066682.db2.gz UNEIQTMWOZFURB-WDEREUQCSA-N 1 1 186.343 2.090 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)C1(CN)CCCC1 36786913 572066732 /nfs/dbraw/zinc/06/67/32/572066732.db2.gz KGMBYAFYXGBNSS-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CN[C@H](C)[C@H]1CCCC[N@@H+]1CC(C)C 82646922 572066763 /nfs/dbraw/zinc/06/67/63/572066763.db2.gz HHQIAXJAYJCRTH-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](N)[C@@H](C)[N@@H+](C)[C@@H](C)C(C)C 36787159 572066791 /nfs/dbraw/zinc/06/67/91/572066791.db2.gz KZIMIPNRPNGASP-AXFHLTTASA-N 1 1 186.343 2.089 10 0 AEAEMO CCC(CC)[N@H+](C)[C@@H](C)[C@H](N)CC 36788952 572066808 /nfs/dbraw/zinc/06/68/08/572066808.db2.gz MUGWHZAZUVZDEU-GXSJLCMTSA-N 1 1 186.343 2.233 10 0 AEAEMO CC[C@@](C)(CN)[N@@H+](C)[C@@H](C)C(C)C 36786987 572066857 /nfs/dbraw/zinc/06/68/57/572066857.db2.gz UNEIQTMWOZFURB-QWRGUYRKSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC(CC)[N@H+](C)[C@H](C)[C@H](N)CC 36788953 572066869 /nfs/dbraw/zinc/06/68/69/572066869.db2.gz MUGWHZAZUVZDEU-MWLCHTKSSA-N 1 1 186.343 2.233 10 0 AEAEMO CCC(CC)N(C)c1ccc(N)[nH+]c1 36788897 572066999 /nfs/dbraw/zinc/06/69/99/572066999.db2.gz BTMQNPAXMMWEGA-UHFFFAOYSA-N 1 1 193.294 2.289 10 0 AEAEMO CCC(CC)[N@@H+](C)C[C@@H](N)C(C)C 36789309 572067181 /nfs/dbraw/zinc/06/71/81/572067181.db2.gz URKQTSZRYICMQS-LLVKDONJSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC(CC)N(C)C[C@@H]([NH3+])C(C)C 36789309 572067182 /nfs/dbraw/zinc/06/71/82/572067182.db2.gz URKQTSZRYICMQS-LLVKDONJSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@H]1CCCC[C@@H]1N 36788944 572067194 /nfs/dbraw/zinc/06/71/94/572067194.db2.gz UJIYJTJIILIQEZ-NWDGAFQWSA-N 1 1 198.354 2.377 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)C[C@@H]1CCCCN1 36787558 572067454 /nfs/dbraw/zinc/06/74/54/572067454.db2.gz FNTOPTAPPXCESX-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[N@@H+]1CCCC[C@@H]1[C@@H](C)NC 82646988 572067455 /nfs/dbraw/zinc/06/74/55/572067455.db2.gz GTVDOASYEXQRBE-IJLUTSLNSA-N 1 1 198.354 2.247 10 0 AEAEMO CC(C)[C@H](C)[N@H+](C)C[C@@H]1CCCCN1 36787558 572067453 /nfs/dbraw/zinc/06/74/53/572067453.db2.gz FNTOPTAPPXCESX-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(CC)(CN)[N@@H+](C)C[C@@H]1C[C@@H]1C 82648049 572067501 /nfs/dbraw/zinc/06/75/01/572067501.db2.gz LSMHYXXSNKTEPH-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@H](CN)[N@@H+](C)[C@@H](C)C1CC1 36783412 572067575 /nfs/dbraw/zinc/06/75/75/572067575.db2.gz XPSCHVIXXRDAJC-CMPLNLGQSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC(CC)[N@H+](C)C[C@@H]1CCCCN1 36789292 572067777 /nfs/dbraw/zinc/06/77/77/572067777.db2.gz AOAQIFAVINJHQO-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)[N@@H+](C)C[C@@H]1CCCCN1 36789292 572067779 /nfs/dbraw/zinc/06/77/79/572067779.db2.gz AOAQIFAVINJHQO-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]C)C1 82646484 572067707 /nfs/dbraw/zinc/06/77/07/572067707.db2.gz DXYJCQCBHHZCTB-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@H]1CCCC[C@@H]1N 36788945 572067724 /nfs/dbraw/zinc/06/77/24/572067724.db2.gz UJIYJTJIILIQEZ-RYUDHWBXSA-N 1 1 198.354 2.377 10 0 AEAEMO CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C(C)C)C1 82646638 572068373 /nfs/dbraw/zinc/06/83/73/572068373.db2.gz YXAADTUAPXKLDR-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](CNC)[N@@H+]1CCCCC[C@H]1C 251117561 572067938 /nfs/dbraw/zinc/06/79/38/572067938.db2.gz VSJGZRBIDXVLGF-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](CNC)[N@H+]1CCCCC[C@H]1C 251117561 572067940 /nfs/dbraw/zinc/06/79/40/572067940.db2.gz VSJGZRBIDXVLGF-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C)[C@H](N)C[N@@H+](C)[C@@H](C)C1CC1 36785599 572067953 /nfs/dbraw/zinc/06/79/53/572067953.db2.gz LSENVORMHNUFGU-JBLDHEPKSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@H](C)[C@H]([NH3+])CN(C)[C@@H](C)C1CC1 36785599 572067957 /nfs/dbraw/zinc/06/79/57/572067957.db2.gz LSENVORMHNUFGU-JBLDHEPKSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@@H](C)[N@H+](C)C[C@@H]1CCCCN1 36787557 572068087 /nfs/dbraw/zinc/06/80/87/572068087.db2.gz FNTOPTAPPXCESX-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)C[C@@H]1CCCCN1 36787557 572068091 /nfs/dbraw/zinc/06/80/91/572068091.db2.gz FNTOPTAPPXCESX-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](CNC)[N@@H+]1CCCCC[C@H]1C 251117560 572068174 /nfs/dbraw/zinc/06/81/74/572068174.db2.gz VSJGZRBIDXVLGF-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](CNC)[N@H+]1CCCCC[C@H]1C 251117560 572068176 /nfs/dbraw/zinc/06/81/76/572068176.db2.gz VSJGZRBIDXVLGF-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@H](CN)[N@@H+](C)C[C@@H]1C[C@@H]1C 82648068 572068301 /nfs/dbraw/zinc/06/83/01/572068301.db2.gz VVLYFQAJKLCAJH-SDDRHHMPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[C@H](C[NH3+])N(C)C[C@@H]1C[C@@H]1C 82648068 572068302 /nfs/dbraw/zinc/06/83/02/572068302.db2.gz VVLYFQAJKLCAJH-SDDRHHMPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@H](C)[C@H](N)CC 36790433 572068529 /nfs/dbraw/zinc/06/85/29/572068529.db2.gz SCQBDZOPGVYYPC-GARJFASQSA-N 1 1 186.343 2.233 10 0 AEAEMO CCC[C@H](C)N(C)[C@@H](C)[C@H]([NH3+])CC 36790433 572068532 /nfs/dbraw/zinc/06/85/32/572068532.db2.gz SCQBDZOPGVYYPC-GARJFASQSA-N 1 1 186.343 2.233 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)[NH2+]C)C1 82646551 572069227 /nfs/dbraw/zinc/06/92/27/572069227.db2.gz MPMSDLNDPTZJES-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[N@@H+]1CCCC[C@@H]1[C@@H](C)NC 82646989 572068567 /nfs/dbraw/zinc/06/85/67/572068567.db2.gz GTVDOASYEXQRBE-QJPTWQEYSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)C1(CN)CCCC1 36790282 572068578 /nfs/dbraw/zinc/06/85/78/572068578.db2.gz HDALBWUSLLPGMZ-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@](C)(CC)CN 36790353 572068716 /nfs/dbraw/zinc/06/87/16/572068716.db2.gz BMOZUVGLLJOPSA-QWRGUYRKSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C(C)C)C1 82646639 572068726 /nfs/dbraw/zinc/06/87/26/572068726.db2.gz YXAADTUAPXKLDR-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H](CN)[N@H+](C)[C@H](C)CCC 36790268 572068739 /nfs/dbraw/zinc/06/87/39/572068739.db2.gz UAYOKZDUTCOUDQ-MNOVXSKESA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCC[C@H]([C@@H](C)[NH2+]C)C1 82646550 572068977 /nfs/dbraw/zinc/06/89/77/572068977.db2.gz MPMSDLNDPTZJES-UTUOFQBUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(CC)(CN)[N@@H+](C)C[C@H]1C[C@@H]1C 82648050 572069132 /nfs/dbraw/zinc/06/91/32/572069132.db2.gz LSMHYXXSNKTEPH-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[N@@H+]1CCCC[C@H]1[C@@H](C)NC 82646919 572069185 /nfs/dbraw/zinc/06/91/85/572069185.db2.gz RHFWYYGXDPTQEN-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H](C)N(C)C[C@H]([NH3+])C(C)C 36790989 572070134 /nfs/dbraw/zinc/07/01/34/572070134.db2.gz CAFBXLYYWZTHOJ-QWRGUYRKSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[C@H]([NH3+])c1nc(CC(C)C)no1 36830858 572069529 /nfs/dbraw/zinc/06/95/29/572069529.db2.gz DPJOZVLAIAZVRG-QMMMGPOBSA-N 1 1 197.282 2.068 10 0 AEAEMO Cc1c[nH+]cn1-c1ccc2c(c1)CCN2 82655813 572069749 /nfs/dbraw/zinc/06/97/49/572069749.db2.gz WJCKAHVBSVDRGR-UHFFFAOYSA-N 1 1 199.257 2.149 10 0 AEAEMO CC(=O)CCCC[N@H+](C)C[C@@H]1C[C@H]1C 82649193 572070137 /nfs/dbraw/zinc/07/01/37/572070137.db2.gz QPTNSHHVFILHQD-PWSUYJOCSA-N 1 1 197.322 2.334 10 0 AEAEMO CCC[C@@H]([NH3+])c1nc(CC(C)C)no1 36830859 572069821 /nfs/dbraw/zinc/06/98/21/572069821.db2.gz DPJOZVLAIAZVRG-MRVPVSSYSA-N 1 1 197.282 2.068 10 0 AEAEMO CCC[C@](C)(N)C[N@@H+](C)C[C@@H]1C[C@@H]1C 82651152 572069836 /nfs/dbraw/zinc/06/98/36/572069836.db2.gz JVLUKPYEJAGBBO-SRVKXCTJSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@](C)([NH3+])CN(C)C[C@@H]1C[C@@H]1C 82651152 572069840 /nfs/dbraw/zinc/06/98/40/572069840.db2.gz JVLUKPYEJAGBBO-SRVKXCTJSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@H]1CCCC[C@@H]1N 36790427 572069936 /nfs/dbraw/zinc/06/99/36/572069936.db2.gz DRSVGFILLKQRTQ-SDDRHHMPSA-N 1 1 198.354 2.377 10 0 AEAEMO CC(=O)CCCC[N@H+](C)C[C@H]1C[C@@H]1C 82649192 572069924 /nfs/dbraw/zinc/06/99/24/572069924.db2.gz QPTNSHHVFILHQD-CMPLNLGQSA-N 1 1 197.322 2.334 10 0 AEAEMO CCCC[N@H+]1CCCC[C@@H]1C(C)=O 82651664 572069941 /nfs/dbraw/zinc/06/99/41/572069941.db2.gz ZRGKVIXHSKWITA-LLVKDONJSA-N 1 1 183.295 2.230 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)C[C@H](N)C(C)C 36790989 572070130 /nfs/dbraw/zinc/07/01/30/572070130.db2.gz CAFBXLYYWZTHOJ-QWRGUYRKSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[C@@](C)(CN)[N@@H+](C)C[C@@H]1C[C@@H]1C 82651745 572070133 /nfs/dbraw/zinc/07/01/33/572070133.db2.gz IRJSIJPZHDDWHF-SRVKXCTJSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H]1CCCC[C@H]1[N@@H+](CC)CCN 82657670 572070265 /nfs/dbraw/zinc/07/02/65/572070265.db2.gz QATCVOSNSAJEGI-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@H]1C[C@H]1C[N@@H+](C)CC(=O)C(C)(C)C 82649162 572070497 /nfs/dbraw/zinc/07/04/97/572070497.db2.gz ZDESQBQBSJZBIC-UWVGGRQHSA-N 1 1 197.322 2.189 10 0 AEAEMO CC[C@H]1CCCC[C@H]1[N@@H+](CC)CCN 82657671 572070512 /nfs/dbraw/zinc/07/05/12/572070512.db2.gz QATCVOSNSAJEGI-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@](C)(N)C[N@@H+](C)C[C@@H]1C[C@@H]1C 82651153 572071322 /nfs/dbraw/zinc/07/13/22/572071322.db2.gz JVLUKPYEJAGBBO-SDDRHHMPSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H]1CCCC[C@@H]1[N@@H+](CC)CCN 82657668 572070607 /nfs/dbraw/zinc/07/06/07/572070607.db2.gz QATCVOSNSAJEGI-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO Cc1[nH]cc(Cc2ccccc2)[nH+]1 34273090 572070662 /nfs/dbraw/zinc/07/06/62/572070662.db2.gz GKOPXGXLFSTRKU-UHFFFAOYSA-N 1 1 172.231 2.309 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)CCC(C)=O 36791300 572070693 /nfs/dbraw/zinc/07/06/93/572070693.db2.gz MRDKOOHDXPPBIE-SECBINFHSA-N 1 1 171.284 2.086 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)CCC(C)=O 36791301 572070707 /nfs/dbraw/zinc/07/07/07/572070707.db2.gz MRDKOOHDXPPBIE-VIFPVBQESA-N 1 1 171.284 2.086 10 0 AEAEMO CCCC[C@H]([NH3+])CN(C)C[C@@H]1C[C@@H]1C 82651200 572070716 /nfs/dbraw/zinc/07/07/16/572070716.db2.gz DBQGIORKUDUUEP-SRVKXCTJSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[C@H](N)C[N@H+](C)C[C@@H]1C[C@@H]1C 82651200 572070720 /nfs/dbraw/zinc/07/07/20/572070720.db2.gz DBQGIORKUDUUEP-SRVKXCTJSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[C@H](N)C[N@@H+](C)C[C@@H]1C[C@@H]1C 82651200 572070724 /nfs/dbraw/zinc/07/07/24/572070724.db2.gz DBQGIORKUDUUEP-SRVKXCTJSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](CCN)C1CCCCCCC1 300870723 572070739 /nfs/dbraw/zinc/07/07/39/572070739.db2.gz XEUQDVWFKBVMLQ-UHFFFAOYSA-N 1 1 198.354 2.380 10 0 AEAEMO CCCC[N@H+]1CCCC[C@H]1C(C)=O 82651665 572070748 /nfs/dbraw/zinc/07/07/48/572070748.db2.gz ZRGKVIXHSKWITA-NSHDSACASA-N 1 1 183.295 2.230 10 0 AEAEMO CC[C@H]1CCCC[C@@H]1[N@@H+](CC)CCN 82657669 572071298 /nfs/dbraw/zinc/07/12/98/572071298.db2.gz QATCVOSNSAJEGI-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(=O)CCCC[N@H+](C)C[C@@H]1C[C@@H]1C 82649194 572071135 /nfs/dbraw/zinc/07/11/35/572071135.db2.gz QPTNSHHVFILHQD-JQWIXIFHSA-N 1 1 197.322 2.334 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)C[C@H](N)C(C)C 36790987 572071039 /nfs/dbraw/zinc/07/10/39/572071039.db2.gz CAFBXLYYWZTHOJ-MNOVXSKESA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[C@@H](C)N(C)C[C@H]([NH3+])C(C)C 36790987 572071041 /nfs/dbraw/zinc/07/10/41/572071041.db2.gz CAFBXLYYWZTHOJ-MNOVXSKESA-N 1 1 186.343 2.090 10 0 AEAEMO C[C@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CCCCC1=O 82649126 572071274 /nfs/dbraw/zinc/07/12/74/572071274.db2.gz JFDJXEFGYOCALV-HBNTYKKESA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@H]1C[C@@H]1C[N@@H+](C)CC(=O)C(C)(C)C 82649160 572071435 /nfs/dbraw/zinc/07/14/35/572071435.db2.gz ZDESQBQBSJZBIC-VHSXEESVSA-N 1 1 197.322 2.189 10 0 AEAEMO C[C@@H]1C[C@H]1C[N@@H+](C)CC(=O)C(C)(C)C 82649161 572071447 /nfs/dbraw/zinc/07/14/47/572071447.db2.gz ZDESQBQBSJZBIC-ZJUUUORDSA-N 1 1 197.322 2.189 10 0 AEAEMO CC(=O)CCCC[N@H+](C)C[C@H]1C[C@H]1C 82649191 572071457 /nfs/dbraw/zinc/07/14/57/572071457.db2.gz QPTNSHHVFILHQD-ZYHUDNBSSA-N 1 1 197.322 2.334 10 0 AEAEMO CCC[C@](C)(CN)[N@@H+](C)C[C@@H]1C[C@@H]1C 82651746 572071718 /nfs/dbraw/zinc/07/17/18/572071718.db2.gz IRJSIJPZHDDWHF-SDDRHHMPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[C@@H]([NH3+])CN(C)C[C@@H]1C[C@@H]1C 82651201 572072082 /nfs/dbraw/zinc/07/20/82/572072082.db2.gz DBQGIORKUDUUEP-SDDRHHMPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[C@@H](N)C[N@H+](C)C[C@@H]1C[C@@H]1C 82651201 572072086 /nfs/dbraw/zinc/07/20/86/572072086.db2.gz DBQGIORKUDUUEP-SDDRHHMPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[C@@H](N)C[N@@H+](C)C[C@@H]1C[C@@H]1C 82651201 572072087 /nfs/dbraw/zinc/07/20/87/572072087.db2.gz DBQGIORKUDUUEP-SDDRHHMPSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1C[C@@H]1C[N@@H+](C)CC(=O)C(C)(C)C 82649159 572072189 /nfs/dbraw/zinc/07/21/89/572072189.db2.gz ZDESQBQBSJZBIC-NXEZZACHSA-N 1 1 197.322 2.189 10 0 AEAEMO C[C@H]1C[C@H]1C[N@H+](C)CCCC[C@@H](C)O 82649588 572072231 /nfs/dbraw/zinc/07/22/31/572072231.db2.gz GDDCXQVCUSXGFX-TUAOUCFPSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)[C@@](C)(CC)CN 36790352 572072267 /nfs/dbraw/zinc/07/22/67/572072267.db2.gz BMOZUVGLLJOPSA-MNOVXSKESA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@H](CN)C(C)C 36790263 572072285 /nfs/dbraw/zinc/07/22/85/572072285.db2.gz WAWWWHCEKMPTFG-QWRGUYRKSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[C@H](N)C[N@H+]1C[C@@H](C)C[C@@H](C)C1 36873568 572072917 /nfs/dbraw/zinc/07/29/17/572072917.db2.gz KLVULVZQXQEWFW-TUAOUCFPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H]([NH3+])CN1C[C@@H](C)C[C@@H](C)C1 36873568 572072919 /nfs/dbraw/zinc/07/29/19/572072919.db2.gz KLVULVZQXQEWFW-TUAOUCFPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H]([NH3+])CN1[C@@H](C)CCC[C@@H]1C 36873584 572072797 /nfs/dbraw/zinc/07/27/97/572072797.db2.gz GADHVOSHMWSYFN-SRVKXCTJSA-N 1 1 198.354 2.377 10 0 AEAEMO CCC[C@@H](N)C[N@@H+](CC)C1CCCC1 36873667 572073124 /nfs/dbraw/zinc/07/31/24/572073124.db2.gz GWLUUFHXGWTYBJ-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@@H]([NH3+])CN(CC)C1CCCC1 36873667 572073128 /nfs/dbraw/zinc/07/31/28/572073128.db2.gz GWLUUFHXGWTYBJ-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@H](N)C[N@H+]1[C@@H](C)CCC[C@H]1C 36873582 572073358 /nfs/dbraw/zinc/07/33/58/572073358.db2.gz GADHVOSHMWSYFN-TUAOUCFPSA-N 1 1 198.354 2.377 10 0 AEAEMO CCCCCN(C)C[C@H]([NH3+])CCC 36873650 572073304 /nfs/dbraw/zinc/07/33/04/572073304.db2.gz XJDCGVZGDGCTRR-LLVKDONJSA-N 1 1 186.343 2.236 10 0 AEAEMO CCCNCC[NH2+]CC1(C)CCCC1 82625823 572073543 /nfs/dbraw/zinc/07/35/43/572073543.db2.gz DKKYWJIVULJMIN-UHFFFAOYSA-N 1 1 198.354 2.156 10 0 AEAEMO CCC[NH2+]CCNCC1(C)CCCC1 82625823 572073547 /nfs/dbraw/zinc/07/35/47/572073547.db2.gz DKKYWJIVULJMIN-UHFFFAOYSA-N 1 1 198.354 2.156 10 0 AEAEMO CCC[C@@H](N)C[N@@H+](C)C(CC)CC 36873689 572073672 /nfs/dbraw/zinc/07/36/72/572073672.db2.gz NJXNKIDYCQYNRG-SNVBAGLBSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@@H]([NH3+])CN(C)C(CC)CC 36873689 572073675 /nfs/dbraw/zinc/07/36/75/572073675.db2.gz NJXNKIDYCQYNRG-SNVBAGLBSA-N 1 1 186.343 2.234 10 0 AEAEMO CCCCCC[N@@H+](CC)CCC[NH3+] 36883447 572073725 /nfs/dbraw/zinc/07/37/25/572073725.db2.gz XVXTUZRAVIMXEU-UHFFFAOYSA-N 1 1 186.343 2.237 10 0 AEAEMO CCCC[N@@H+](CC)C[C@H](N)CCC 36873550 572073802 /nfs/dbraw/zinc/07/38/02/572073802.db2.gz IQILCKXYNBSNRZ-LLVKDONJSA-N 1 1 186.343 2.236 10 0 AEAEMO CCCCN(CC)C[C@H]([NH3+])CCC 36873550 572073803 /nfs/dbraw/zinc/07/38/03/572073803.db2.gz IQILCKXYNBSNRZ-LLVKDONJSA-N 1 1 186.343 2.236 10 0 AEAEMO CCC[C@H](N)C[NH2+]CC1(C)CCCC1 82625805 572073819 /nfs/dbraw/zinc/07/38/19/572073819.db2.gz LTCPGNLVRFZHLF-NSHDSACASA-N 1 1 198.354 2.284 10 0 AEAEMO CC[C@@H](N)C[N@@H+](C)C1CCCCCC1 36872118 572073970 /nfs/dbraw/zinc/07/39/70/572073970.db2.gz VGMPYLJTZMKYBY-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@@H]([NH3+])CN(C)C1CCCCCC1 36872118 572073973 /nfs/dbraw/zinc/07/39/73/572073973.db2.gz VGMPYLJTZMKYBY-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[N@@H+](CCC)CCC[NH3+] 36883450 572074064 /nfs/dbraw/zinc/07/40/64/572074064.db2.gz FWDIZEQWSJBSLZ-UHFFFAOYSA-N 1 1 186.343 2.237 10 0 AEAEMO CC[N@@H+](CCC[NH3+])C1CCCCCC1 36883492 572074099 /nfs/dbraw/zinc/07/40/99/572074099.db2.gz ZCCAYWYMKOICKZ-UHFFFAOYSA-N 1 1 198.354 2.380 10 0 AEAEMO CC(C)[C@H](N)C[NH2+]CC1(C)CCCC1 82625803 572074340 /nfs/dbraw/zinc/07/43/40/572074340.db2.gz QHFZPITXDQDFSU-LLVKDONJSA-N 1 1 198.354 2.140 10 0 AEAEMO CC(C)C[C@@H](CN)[N@H+]1CCC[C@H](C)C1 36875232 572074351 /nfs/dbraw/zinc/07/43/51/572074351.db2.gz BJCFXXVNOHKPRE-RYUDHWBXSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@@H](N)C[N@@H+](C)[C@H](C)CCC 36873690 572074368 /nfs/dbraw/zinc/07/43/68/572074368.db2.gz QNLNFOZNDOWERR-GHMZBOCLSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@@H]([NH3+])CN(C)[C@H](C)CCC 36873690 572074371 /nfs/dbraw/zinc/07/43/71/572074371.db2.gz QNLNFOZNDOWERR-GHMZBOCLSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@@H](N)C[N@@H+](CC)[C@@H](C)CC 36873649 572074443 /nfs/dbraw/zinc/07/44/43/572074443.db2.gz YHJQAPLZOVYLSU-WDEREUQCSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@@H]([NH3+])CN(CC)[C@@H](C)CC 36873649 572074447 /nfs/dbraw/zinc/07/44/47/572074447.db2.gz YHJQAPLZOVYLSU-WDEREUQCSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@H](N)C[N@H+]1CCCC[C@@H]1CC 36873630 572074540 /nfs/dbraw/zinc/07/45/40/572074540.db2.gz GRQPMEMRQWWKIU-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@H]([NH3+])CN1CCCC[C@@H]1CC 36873630 572074549 /nfs/dbraw/zinc/07/45/49/572074549.db2.gz GRQPMEMRQWWKIU-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CC(C)[C@@H](N)C[NH2+]CC1(C)CCCC1 82625804 572074899 /nfs/dbraw/zinc/07/48/99/572074899.db2.gz QHFZPITXDQDFSU-NSHDSACASA-N 1 1 198.354 2.140 10 0 AEAEMO CC[C@@H]1CC[C@@H]([NH3+])[C@H](N(CC)CC)C1 36879318 572074937 /nfs/dbraw/zinc/07/49/37/572074937.db2.gz JZQTUMJEWZZPAK-IJLUTSLNSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H](N)C[N@@H+](CC)CC(C)C 36873647 572074947 /nfs/dbraw/zinc/07/49/47/572074947.db2.gz JVLBZQZDKXQGSN-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@@H]([NH3+])CN(CC)CC(C)C 36873647 572074952 /nfs/dbraw/zinc/07/49/52/572074952.db2.gz JVLBZQZDKXQGSN-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@@H](N)C[N@H+]1CCC[C@H](CC)C1 36873698 572075001 /nfs/dbraw/zinc/07/50/01/572075001.db2.gz QAGLZKCKKCULDX-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@H]([NH3+])CN1CCC[C@H](CC)C1 36873698 572075003 /nfs/dbraw/zinc/07/50/03/572075003.db2.gz QAGLZKCKKCULDX-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@H](N)C[N@H+]1C[C@@H](C)C[C@@H](C)C1 36873569 572075036 /nfs/dbraw/zinc/07/50/36/572075036.db2.gz KLVULVZQXQEWFW-GRYCIOLGSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@@H]([NH3+])CN1C[C@@H](C)C[C@@H](C)C1 36873569 572075039 /nfs/dbraw/zinc/07/50/39/572075039.db2.gz KLVULVZQXQEWFW-GRYCIOLGSA-N 1 1 198.354 2.092 10 0 AEAEMO CNC(C)(C)C[NH2+]CC1(C)CCCC1 82625858 572075056 /nfs/dbraw/zinc/07/50/56/572075056.db2.gz OMNYIDAKQFQKRS-UHFFFAOYSA-N 1 1 198.354 2.154 10 0 AEAEMO CCC[C@H](N)C[N@H+]1CCC[C@H](CC)C1 36873696 572075720 /nfs/dbraw/zinc/07/57/20/572075720.db2.gz QAGLZKCKKCULDX-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@H](N)C[N@H+]1[C@@H](C)CCC[C@H]1C 36873583 572075130 /nfs/dbraw/zinc/07/51/30/572075130.db2.gz GADHVOSHMWSYFN-GRYCIOLGSA-N 1 1 198.354 2.377 10 0 AEAEMO CCC[C@@H]([NH3+])CN1[C@@H](C)CCC[C@H]1C 36873583 572075133 /nfs/dbraw/zinc/07/51/33/572075133.db2.gz GADHVOSHMWSYFN-GRYCIOLGSA-N 1 1 198.354 2.377 10 0 AEAEMO CCC[C@H](N)C[N@@H+](C)C[C@@H](C)CC 36873652 572075180 /nfs/dbraw/zinc/07/51/80/572075180.db2.gz SYEPQGLQYLHEAM-QWRGUYRKSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@H]([NH3+])CN(C)C[C@@H](C)CC 36873652 572075185 /nfs/dbraw/zinc/07/51/85/572075185.db2.gz SYEPQGLQYLHEAM-QWRGUYRKSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@H]([NH3+])CN1CCC[C@H](CC)C1 36873696 572075722 /nfs/dbraw/zinc/07/57/22/572075722.db2.gz QAGLZKCKKCULDX-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H]([NH3+])CN1C[C@@H](C)C[C@H](C)C1 36873570 572075210 /nfs/dbraw/zinc/07/52/10/572075210.db2.gz KLVULVZQXQEWFW-SRVKXCTJSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@@H](N)C[NH2+]CC1(C)CCCC1 82625806 572075379 /nfs/dbraw/zinc/07/53/79/572075379.db2.gz LTCPGNLVRFZHLF-LLVKDONJSA-N 1 1 198.354 2.284 10 0 AEAEMO CCC[C@H](N)C[N@@H+](CC)C1CCCC1 36873666 572075331 /nfs/dbraw/zinc/07/53/31/572075331.db2.gz GWLUUFHXGWTYBJ-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@H]([NH3+])CN(CC)C1CCCC1 36873666 572075336 /nfs/dbraw/zinc/07/53/36/572075336.db2.gz GWLUUFHXGWTYBJ-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@@H](N)C[N@@H+](C)[C@@H](C)C(C)C 36873687 572075357 /nfs/dbraw/zinc/07/53/57/572075357.db2.gz YWZDBHSDBQYFQF-WDEREUQCSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[C@@H]([NH3+])CN(C)[C@@H](C)C(C)C 36873687 572075360 /nfs/dbraw/zinc/07/53/60/572075360.db2.gz YWZDBHSDBQYFQF-WDEREUQCSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[C@H](N)C[N@@H+](CC)[C@@H](C)CC 36873648 572075307 /nfs/dbraw/zinc/07/53/07/572075307.db2.gz YHJQAPLZOVYLSU-QWRGUYRKSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@H]([NH3+])CN(CC)[C@@H](C)CC 36873648 572075311 /nfs/dbraw/zinc/07/53/11/572075311.db2.gz YHJQAPLZOVYLSU-QWRGUYRKSA-N 1 1 186.343 2.234 10 0 AEAEMO CC(C)C[C@@H](CN)[N@H+]1CCCC[C@H]1C 36879528 572075445 /nfs/dbraw/zinc/07/54/45/572075445.db2.gz HWSWXNXVZCRPCG-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H](N)C[N@H+]1CCCC[C@@H]1CC 36873631 572075454 /nfs/dbraw/zinc/07/54/54/572075454.db2.gz GRQPMEMRQWWKIU-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@@H]([NH3+])CN1CCCC[C@@H]1CC 36873631 572075456 /nfs/dbraw/zinc/07/54/56/572075456.db2.gz GRQPMEMRQWWKIU-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[N@@H+](CCC[NH3+])C1CCCCC1 36883456 572075472 /nfs/dbraw/zinc/07/54/72/572075472.db2.gz BCWDUOBUPGIWRH-UHFFFAOYSA-N 1 1 198.354 2.380 10 0 AEAEMO CC(C)NCC[NH2+]CC1(C)CCCC1 82625869 572075531 /nfs/dbraw/zinc/07/55/31/572075531.db2.gz LDNXMZIKZJCMEG-UHFFFAOYSA-N 1 1 198.354 2.154 10 0 AEAEMO CC(C)[NH2+]CCNCC1(C)CCCC1 82625869 572075534 /nfs/dbraw/zinc/07/55/34/572075534.db2.gz LDNXMZIKZJCMEG-UHFFFAOYSA-N 1 1 198.354 2.154 10 0 AEAEMO CC[C@H](N)C[N@@H+](C)C1CCCCCC1 36872117 572075536 /nfs/dbraw/zinc/07/55/36/572075536.db2.gz VGMPYLJTZMKYBY-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@H]([NH3+])CN(C)C1CCCCCC1 36872117 572075538 /nfs/dbraw/zinc/07/55/38/572075538.db2.gz VGMPYLJTZMKYBY-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@@H](N)C[N@@H+](C)C[C@@H](C)CC 36873653 572075634 /nfs/dbraw/zinc/07/56/34/572075634.db2.gz SYEPQGLQYLHEAM-WDEREUQCSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@@H]([NH3+])CN(C)C[C@@H](C)CC 36873653 572075637 /nfs/dbraw/zinc/07/56/37/572075637.db2.gz SYEPQGLQYLHEAM-WDEREUQCSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@H](N)C[N@@H+](CC)CC(C)C 36873646 572075645 /nfs/dbraw/zinc/07/56/45/572075645.db2.gz JVLBZQZDKXQGSN-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@H]([NH3+])CN(CC)CC(C)C 36873646 572075648 /nfs/dbraw/zinc/07/56/48/572075648.db2.gz JVLBZQZDKXQGSN-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[N@@H+](CCC[NH3+])CCC(C)C 36883451 572075812 /nfs/dbraw/zinc/07/58/12/572075812.db2.gz WFWYHOGRXXEFSG-UHFFFAOYSA-N 1 1 186.343 2.093 10 0 AEAEMO CCCCCN(C)C[C@@H]([NH3+])CCC 36873651 572075896 /nfs/dbraw/zinc/07/58/96/572075896.db2.gz XJDCGVZGDGCTRR-NSHDSACASA-N 1 1 186.343 2.236 10 0 AEAEMO CCC[C@H](N)C[N@@H+](CCC)C(C)C 36873636 572075910 /nfs/dbraw/zinc/07/59/10/572075910.db2.gz SFHSYLJGUJZWKW-NSHDSACASA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@H]([NH3+])CN(CCC)C(C)C 36873636 572075912 /nfs/dbraw/zinc/07/59/12/572075912.db2.gz SFHSYLJGUJZWKW-NSHDSACASA-N 1 1 186.343 2.234 10 0 AEAEMO CCC(CC)[C@@H](C)[N@@H+]1CCC(=O)C1 82632957 572076550 /nfs/dbraw/zinc/07/65/50/572076550.db2.gz BQPHECFQAJITRM-SECBINFHSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC(CC)[C@@H](C)[N@H+]1CCC(=O)C1 82632957 572076552 /nfs/dbraw/zinc/07/65/52/572076552.db2.gz BQPHECFQAJITRM-SECBINFHSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC(CC)[C@H](C)[NH2+]Cc1c[nH]cn1 82631622 572077161 /nfs/dbraw/zinc/07/71/61/572077161.db2.gz YSWAIKPBGVGDGG-VIFPVBQESA-N 1 1 195.310 2.324 10 0 AEAEMO CCC(CC)[C@H](C)[NH2+]Cc1ccn[nH]1 82631582 572077208 /nfs/dbraw/zinc/07/72/08/572077208.db2.gz OANSBSQBHCRXKT-VIFPVBQESA-N 1 1 195.310 2.324 10 0 AEAEMO CCCCc1[nH+]c[nH]c1C 34364512 572077210 /nfs/dbraw/zinc/07/72/10/572077210.db2.gz AGTZLDHZROZIDO-UHFFFAOYSA-N 1 1 138.214 2.061 10 0 AEAEMO CCCCc1[nH]c[nH+]c1C 34364512 572077214 /nfs/dbraw/zinc/07/72/14/572077214.db2.gz AGTZLDHZROZIDO-UHFFFAOYSA-N 1 1 138.214 2.061 10 0 AEAEMO CCCC[NH2+][C@H]1CCN2CCCC[C@H]12 36997056 572078085 /nfs/dbraw/zinc/07/80/85/572078085.db2.gz KRCFFUUODUZYFF-NWDGAFQWSA-N 1 1 196.338 2.003 10 0 AEAEMO CCC(CC)[C@@H](C)[NH2+]Cc1c[nH]cn1 82631620 572077369 /nfs/dbraw/zinc/07/73/69/572077369.db2.gz YSWAIKPBGVGDGG-SECBINFHSA-N 1 1 195.310 2.324 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1CCC(C)=O 37022147 572077405 /nfs/dbraw/zinc/07/74/05/572077405.db2.gz QBZPLJZZTFRVTI-LLVKDONJSA-N 1 1 183.295 2.230 10 0 AEAEMO CCC(CC)[C@@H](C)[NH2+]Cc1ccn[nH]1 82631579 572077503 /nfs/dbraw/zinc/07/75/03/572077503.db2.gz OANSBSQBHCRXKT-SECBINFHSA-N 1 1 195.310 2.324 10 0 AEAEMO CCC(CC)[C@H](C)[N@@H+]1CCC(=O)C1 82632959 572077624 /nfs/dbraw/zinc/07/76/24/572077624.db2.gz BQPHECFQAJITRM-VIFPVBQESA-N 1 1 183.295 2.086 10 0 AEAEMO CCC(CC)[C@H](C)[N@H+]1CCC(=O)C1 82632959 572077627 /nfs/dbraw/zinc/07/76/27/572077627.db2.gz BQPHECFQAJITRM-VIFPVBQESA-N 1 1 183.295 2.086 10 0 AEAEMO CC(=O)[C@H]1CCCC[N@@H+]1CCC(C)C 82645097 572078300 /nfs/dbraw/zinc/07/83/00/572078300.db2.gz DRFKZDROHFYPQM-GFCCVEGCSA-N 1 1 197.322 2.476 10 0 AEAEMO CCCC[N@@H+](CC)[C@@H](C)[C@H](N)CC 36988496 572077952 /nfs/dbraw/zinc/07/79/52/572077952.db2.gz CCXQPYVJHDMFHC-WDEREUQCSA-N 1 1 186.343 2.234 10 0 AEAEMO CCCCN(CC)[C@@H](C)[C@H]([NH3+])CC 36988496 572077957 /nfs/dbraw/zinc/07/79/57/572077957.db2.gz CCXQPYVJHDMFHC-WDEREUQCSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1CCC(C)=O 37022148 572078010 /nfs/dbraw/zinc/07/80/10/572078010.db2.gz QBZPLJZZTFRVTI-NSHDSACASA-N 1 1 183.295 2.230 10 0 AEAEMO CCCC[NH2+][C@@H]1CCN2CCCC[C@H]12 36997055 572078180 /nfs/dbraw/zinc/07/81/80/572078180.db2.gz KRCFFUUODUZYFF-VXGBXAGGSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCC[C@H](C(C)=O)C1 82644661 572078262 /nfs/dbraw/zinc/07/82/62/572078262.db2.gz AWQHFOOCPBWNLP-JQWIXIFHSA-N 1 1 197.322 2.334 10 0 AEAEMO C[NH2+]c1ccc(N)cc1OC(C)C 34413951 572078451 /nfs/dbraw/zinc/07/84/51/572078451.db2.gz IWYSKMLBJBWGQF-UHFFFAOYSA-N 1 1 180.251 2.098 10 0 AEAEMO CC(C)CC[N@H+]1CC[C@H](C)C[C@H]1CN 82643427 572078496 /nfs/dbraw/zinc/07/84/96/572078496.db2.gz QEYUXVJXJUBRII-RYUDHWBXSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[N@@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1N 36988500 572078513 /nfs/dbraw/zinc/07/85/13/572078513.db2.gz ZEJQIXFOZSGYGD-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCN(C)[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 36988500 572078515 /nfs/dbraw/zinc/07/85/15/572078515.db2.gz ZEJQIXFOZSGYGD-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](CC1CC1)[C@H]1CCCC[C@@H]1O 69238890 572078613 /nfs/dbraw/zinc/07/86/13/572078613.db2.gz QKKSDVHEEXZINI-RYUDHWBXSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCC[N@H+]1CCC[C@H](C(C)=O)C1 82644559 572078735 /nfs/dbraw/zinc/07/87/35/572078735.db2.gz CPIRAFRWECCIIU-NSHDSACASA-N 1 1 183.295 2.088 10 0 AEAEMO CC[N@@H+](CC1CC1)[C@@H]1CCCC[C@@H]1O 69238889 572078829 /nfs/dbraw/zinc/07/88/29/572078829.db2.gz QKKSDVHEEXZINI-NEPJUHHUSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@H+]1CCc2ccc(Cl)cc2C1 34414006 572078987 /nfs/dbraw/zinc/07/89/87/572078987.db2.gz YKRZBMZGMMTAGK-UHFFFAOYSA-N 1 1 181.666 2.328 10 0 AEAEMO CCCCC[N@H+]1CCC[C@@H](C(C)=O)C1 82644528 572078973 /nfs/dbraw/zinc/07/89/73/572078973.db2.gz XJPNFXXHJQSBGE-GFCCVEGCSA-N 1 1 197.322 2.478 10 0 AEAEMO CCC(CC)[C@@H](C)[N@H+]1CCCNCC1 82634239 572079079 /nfs/dbraw/zinc/07/90/79/572079079.db2.gz LFQHNGTXRGEIPP-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC(CC)[C@H](C)[N@H+]1CCCNCC1 82634241 572079133 /nfs/dbraw/zinc/07/91/33/572079133.db2.gz LFQHNGTXRGEIPP-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCC[N@H+]1CC[C@@H](C)C[C@@H]1CN 82643391 572079150 /nfs/dbraw/zinc/07/91/50/572079150.db2.gz OEAYYLPTDCGBSS-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCCN1CC[C@@H](C)C[C@@H]1C[NH3+] 82643391 572079153 /nfs/dbraw/zinc/07/91/53/572079153.db2.gz OEAYYLPTDCGBSS-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO Cc1c[nH+]c(Nc2cccnc2C)[nH]1 235858006 572079195 /nfs/dbraw/zinc/07/91/95/572079195.db2.gz CMTYADRTHDEHJQ-UHFFFAOYSA-N 1 1 188.234 2.165 10 0 AEAEMO CC(=O)[C@@H]1CCC[N@H+](CCC(C)C)C1 82644609 572079208 /nfs/dbraw/zinc/07/92/08/572079208.db2.gz QNSQJZHYLMSIMV-GFCCVEGCSA-N 1 1 197.322 2.334 10 0 AEAEMO CC[C@H](C)C[N@H+]1CC[C@H](C)C[C@@H]1CN 82643406 572079213 /nfs/dbraw/zinc/07/92/13/572079213.db2.gz YJDHPYOZWNUIIM-SDDRHHMPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[N@@H+](CC)[C@H](C)[C@H](N)CC 36988497 572079437 /nfs/dbraw/zinc/07/94/37/572079437.db2.gz CCXQPYVJHDMFHC-GHMZBOCLSA-N 1 1 186.343 2.234 10 0 AEAEMO CCCCN(CC)[C@H](C)[C@H]([NH3+])CC 36988497 572079440 /nfs/dbraw/zinc/07/94/40/572079440.db2.gz CCXQPYVJHDMFHC-GHMZBOCLSA-N 1 1 186.343 2.234 10 0 AEAEMO CCCCNc1ccc[nH+]c1N(C)C 37029056 572079480 /nfs/dbraw/zinc/07/94/80/572079480.db2.gz JVRMBGJUKIRVAL-UHFFFAOYSA-N 1 1 193.294 2.360 10 0 AEAEMO CC[C@H]1CCCC[C@H]1[N@@H+](C)C[C@@H](C)N 82659063 572079810 /nfs/dbraw/zinc/07/98/10/572079810.db2.gz DDKBMPPKIYRZQW-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]1CCCC[C@H]1[N@@H+](CC)CCO 82658699 572079837 /nfs/dbraw/zinc/07/98/37/572079837.db2.gz OQQRPPQOSDTAAI-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CCN1CCC([NH3+])(CC(C)(C)C)CC1 713209646 572079942 /nfs/dbraw/zinc/07/99/42/572079942.db2.gz WMLMRSCFTGGNHZ-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CCC[C@H](C(C)=O)C1 82644660 572079986 /nfs/dbraw/zinc/07/99/86/572079986.db2.gz AWQHFOOCPBWNLP-PWSUYJOCSA-N 1 1 197.322 2.334 10 0 AEAEMO CC[C@@H]1CCCC[C@H]1[N@@H+](CC)CCO 82658698 572080052 /nfs/dbraw/zinc/08/00/52/572080052.db2.gz OQQRPPQOSDTAAI-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO Cc1c[nH+]c(Nc2cnccc2C)[nH]1 235858225 572080160 /nfs/dbraw/zinc/08/01/60/572080160.db2.gz MZIGPBKNPLTLFB-UHFFFAOYSA-N 1 1 188.234 2.165 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCCC[C@@H]1C(C)=O 82645140 572080392 /nfs/dbraw/zinc/08/03/92/572080392.db2.gz WHVNUCCCBGASEY-CMPLNLGQSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC[C@H](N)[C@H](CC)[N@@H+](CC)C1CC1 37079884 572080685 /nfs/dbraw/zinc/08/06/85/572080685.db2.gz CDMXFAVYHDDSPV-RYUDHWBXSA-N 1 1 198.354 2.377 10 0 AEAEMO CCC[C@H]([NH3+])[C@H](CC)N(CC)C1CC1 37079884 572080687 /nfs/dbraw/zinc/08/06/87/572080687.db2.gz CDMXFAVYHDDSPV-RYUDHWBXSA-N 1 1 198.354 2.377 10 0 AEAEMO CCC[N@@H+](CC)C1(CN)CCCCC1 37094792 572080718 /nfs/dbraw/zinc/08/07/18/572080718.db2.gz QXFCUGAUAVAXJS-UHFFFAOYSA-N 1 1 198.354 2.380 10 0 AEAEMO CC(=O)[C@@H]1CCCC[N@@H+]1CCC(C)C 82645098 572080730 /nfs/dbraw/zinc/08/07/30/572080730.db2.gz DRFKZDROHFYPQM-LBPRGKRZSA-N 1 1 197.322 2.476 10 0 AEAEMO CCCC[N@H+]1CCC[C@@H](C(C)=O)C1 82644560 572080835 /nfs/dbraw/zinc/08/08/35/572080835.db2.gz CPIRAFRWECCIIU-LLVKDONJSA-N 1 1 183.295 2.088 10 0 AEAEMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H](C)N 82659051 572080855 /nfs/dbraw/zinc/08/08/55/572080855.db2.gz DDKBMPPKIYRZQW-UTUOFQBUSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H]([NH3+])[C@@H](CC)N(CC)C1CC1 37079883 572081505 /nfs/dbraw/zinc/08/15/05/572081505.db2.gz CDMXFAVYHDDSPV-VXGBXAGGSA-N 1 1 198.354 2.377 10 0 AEAEMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@@H](C)N 82659059 572080951 /nfs/dbraw/zinc/08/09/51/572080951.db2.gz DDKBMPPKIYRZQW-IJLUTSLNSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]([NH3+])c1nc(CC(C)(C)C)no1 82673287 572081506 /nfs/dbraw/zinc/08/15/06/572081506.db2.gz DBFWCKIWGZWZCH-ZETCQYMHSA-N 1 1 197.282 2.068 10 0 AEAEMO CCCCC[N@H+]1CC[C@H](C)C[C@@H]1CN 82643390 572081033 /nfs/dbraw/zinc/08/10/33/572081033.db2.gz OEAYYLPTDCGBSS-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCCN1CC[C@H](C)C[C@@H]1C[NH3+] 82643390 572081035 /nfs/dbraw/zinc/08/10/35/572081035.db2.gz OEAYYLPTDCGBSS-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCC[C@H](CN)[N@@H+](CC)C1CC1 37079696 572081225 /nfs/dbraw/zinc/08/12/25/572081225.db2.gz NLHAADZGWHQRKY-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@H](C[NH3+])N(CC)C1CC1 37079696 572081227 /nfs/dbraw/zinc/08/12/27/572081227.db2.gz NLHAADZGWHQRKY-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC(CC)[C@@H](CN)[N@@H+](CC)C1CC1 37079547 572081272 /nfs/dbraw/zinc/08/12/72/572081272.db2.gz RWZHGHXVRNBVDZ-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)[C@@H](C[NH3+])N(CC)C1CC1 37079547 572081274 /nfs/dbraw/zinc/08/12/74/572081274.db2.gz RWZHGHXVRNBVDZ-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+](CC)[C@H](CN)CC(C)C 37094616 572081410 /nfs/dbraw/zinc/08/14/10/572081410.db2.gz ASAJIYFJXGKZSB-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@@H](N)[C@@H](CC)[N@@H+](CC)C1CC1 37079883 572081504 /nfs/dbraw/zinc/08/15/04/572081504.db2.gz CDMXFAVYHDDSPV-VXGBXAGGSA-N 1 1 198.354 2.377 10 0 AEAEMO CCC[C@@H]([NH3+])[C@H](CC)N(CC)C1CC1 37079885 572082585 /nfs/dbraw/zinc/08/25/85/572082585.db2.gz CDMXFAVYHDDSPV-NEPJUHHUSA-N 1 1 198.354 2.377 10 0 AEAEMO CCC(CC)[C@H](CN)[N@@H+](CC)C1CC1 37079548 572081672 /nfs/dbraw/zinc/08/16/72/572081672.db2.gz RWZHGHXVRNBVDZ-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)[C@H](C[NH3+])N(CC)C1CC1 37079548 572081674 /nfs/dbraw/zinc/08/16/74/572081674.db2.gz RWZHGHXVRNBVDZ-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC(CN)(CCC)[N@@H+](C)CC 37078509 572081813 /nfs/dbraw/zinc/08/18/13/572081813.db2.gz YOZJGWZKFINYBY-UHFFFAOYSA-N 1 1 186.343 2.236 10 0 AEAEMO CCC1CCC(CN)([N@@H+](C)CC)CC1 37078498 572082336 /nfs/dbraw/zinc/08/23/36/572082336.db2.gz LTURILRPADKKPI-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC1CCC(C[NH3+])(N(C)CC)CC1 37078498 572082340 /nfs/dbraw/zinc/08/23/40/572082340.db2.gz LTURILRPADKKPI-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H]([NH3+])c1nc(CC(C)(C)C)no1 82673291 572082384 /nfs/dbraw/zinc/08/23/84/572082384.db2.gz DBFWCKIWGZWZCH-SSDOTTSWSA-N 1 1 197.282 2.068 10 0 AEAEMO N#C[C@]1([NH3+])CC[C@@H]2CCCC[C@H]2C1 34423344 572082412 /nfs/dbraw/zinc/08/24/12/572082412.db2.gz ALDSSKWMQOPDCE-DCAQKATOSA-N 1 1 178.279 2.198 10 0 AEAEMO CCCCC[C@@H](CN)[N@@H+](CC)C1CC1 37079695 572082503 /nfs/dbraw/zinc/08/25/03/572082503.db2.gz NLHAADZGWHQRKY-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@@H](C[NH3+])N(CC)C1CC1 37079695 572082506 /nfs/dbraw/zinc/08/25/06/572082506.db2.gz NLHAADZGWHQRKY-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[N@@H+](C1CC1)[C@](C)(CN)CC(C)C 37079728 572082538 /nfs/dbraw/zinc/08/25/38/572082538.db2.gz TWPSFDIHJZDASA-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCN(C1CC1)[C@](C)(C[NH3+])CC(C)C 37079728 572082540 /nfs/dbraw/zinc/08/25/40/572082540.db2.gz TWPSFDIHJZDASA-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H](N)[C@H](CC)[N@@H+](CC)C1CC1 37079885 572082584 /nfs/dbraw/zinc/08/25/84/572082584.db2.gz CDMXFAVYHDDSPV-NEPJUHHUSA-N 1 1 198.354 2.377 10 0 AEAEMO CC[N@@H+](C1CC1)[C@@](C)(CN)CC(C)C 37079729 572082805 /nfs/dbraw/zinc/08/28/05/572082805.db2.gz TWPSFDIHJZDASA-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCN(C1CC1)[C@@](C)(C[NH3+])CC(C)C 37079729 572082806 /nfs/dbraw/zinc/08/28/06/572082806.db2.gz TWPSFDIHJZDASA-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+](CC)C(CC)(CC)CN 37094785 572082851 /nfs/dbraw/zinc/08/28/51/572082851.db2.gz ADGMPFMUEQVUQK-UHFFFAOYSA-N 1 1 186.343 2.236 10 0 AEAEMO CC[NH2+]Cc1c[nH]c(CC(C)(C)C)n1 82675145 572082862 /nfs/dbraw/zinc/08/28/62/572082862.db2.gz SYQXFYCDWMGCPU-UHFFFAOYSA-N 1 1 195.310 2.108 10 0 AEAEMO CC[N@@H+](C)CC[C@H](N)c1ccccc1 37078994 572082881 /nfs/dbraw/zinc/08/28/81/572082881.db2.gz WUZAHGHHJIYSMZ-LBPRGKRZSA-N 1 1 192.306 2.028 10 0 AEAEMO CCC[N@@H+](CC)[C@@H](CN)CC(C)C 37094617 572082966 /nfs/dbraw/zinc/08/29/66/572082966.db2.gz ASAJIYFJXGKZSB-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[N@@H+](CC)[C@](C)(CN)CCC 37094779 572083042 /nfs/dbraw/zinc/08/30/42/572083042.db2.gz KCXDNRKMFYWLND-NSHDSACASA-N 1 1 186.343 2.236 10 0 AEAEMO CCC[N@@H+](CC)[C@@](C)(CN)CCC 37094780 572083059 /nfs/dbraw/zinc/08/30/59/572083059.db2.gz KCXDNRKMFYWLND-LLVKDONJSA-N 1 1 186.343 2.236 10 0 AEAEMO CC[N@@H+](C)[C@](C)(CN)CCC(C)C 37078500 572083076 /nfs/dbraw/zinc/08/30/76/572083076.db2.gz PLBXOBLJRNYMNT-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CCN(C)[C@](C)(C[NH3+])CCC(C)C 37078500 572083079 /nfs/dbraw/zinc/08/30/79/572083079.db2.gz PLBXOBLJRNYMNT-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CCCCCC[C@H](CN)[N@@H+](C)CC 37078468 572083153 /nfs/dbraw/zinc/08/31/53/572083153.db2.gz ZNEFNMRSHFDURO-LLVKDONJSA-N 1 1 186.343 2.236 10 0 AEAEMO CCCCCC[C@H](C[NH3+])N(C)CC 37078468 572083158 /nfs/dbraw/zinc/08/31/58/572083158.db2.gz ZNEFNMRSHFDURO-LLVKDONJSA-N 1 1 186.343 2.236 10 0 AEAEMO CC[N@@H+](C)CC[C@@H](N)c1ccccc1 37078995 572083298 /nfs/dbraw/zinc/08/32/98/572083298.db2.gz WUZAHGHHJIYSMZ-GFCCVEGCSA-N 1 1 192.306 2.028 10 0 AEAEMO CC[N@@H+](C)[C@@](C)(CN)CCC(C)C 37078501 572083693 /nfs/dbraw/zinc/08/36/93/572083693.db2.gz PLBXOBLJRNYMNT-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCN(C)[C@@](C)(C[NH3+])CCC(C)C 37078501 572083697 /nfs/dbraw/zinc/08/36/97/572083697.db2.gz PLBXOBLJRNYMNT-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@H](N)[C@@H](CC)[N@@H+](CC)C1CC1 37079882 572083890 /nfs/dbraw/zinc/08/38/90/572083890.db2.gz CDMXFAVYHDDSPV-NWDGAFQWSA-N 1 1 198.354 2.377 10 0 AEAEMO CCC[C@H]([NH3+])[C@@H](CC)N(CC)C1CC1 37079882 572083893 /nfs/dbraw/zinc/08/38/93/572083893.db2.gz CDMXFAVYHDDSPV-NWDGAFQWSA-N 1 1 198.354 2.377 10 0 AEAEMO CC[N@@H+](C(C)C)[C@@H](CN)CC(C)C 37081778 572084283 /nfs/dbraw/zinc/08/42/83/572084283.db2.gz HXRLUBDGHQGSQX-LLVKDONJSA-N 1 1 186.343 2.090 10 0 AEAEMO CCNC[C@H](CC)[N@H+](CC)CC1CC1 82686872 572084679 /nfs/dbraw/zinc/08/46/79/572084679.db2.gz VMJQDRBXRHWVFO-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CCNC[C@H](CC)[N@@H+](CC)CC1CC1 82686872 572084680 /nfs/dbraw/zinc/08/46/80/572084680.db2.gz VMJQDRBXRHWVFO-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](CC[NH3+])[N@H+]1CCCC[C@@H]1CC 37082858 572084513 /nfs/dbraw/zinc/08/45/13/572084513.db2.gz BWGVBMVDDOQEIQ-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CC(C)CC[C@@](C)(CN)[N@@H+](C)C1CC1 37080815 572084549 /nfs/dbraw/zinc/08/45/49/572084549.db2.gz RBRRDGQSACJODS-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CC[C@@](C)(C[NH3+])N(C)C1CC1 37080815 572084552 /nfs/dbraw/zinc/08/45/52/572084552.db2.gz RBRRDGQSACJODS-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@](C)(CN)[N@@H+](CC)C(C)C 37081939 572084866 /nfs/dbraw/zinc/08/48/66/572084866.db2.gz HQRRQOJMBBPLAT-LLVKDONJSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@@H](CNC)[N@H+](C)C(C)(C)CC 82687736 572085010 /nfs/dbraw/zinc/08/50/10/572085010.db2.gz DBRVZTFREIHBCX-JTQLQIEISA-N 1 1 186.343 2.105 10 0 AEAEMO CC[C@@H](CNC)[N@@H+](C)C(C)(C)CC 82687736 572085015 /nfs/dbraw/zinc/08/50/15/572085015.db2.gz DBRVZTFREIHBCX-JTQLQIEISA-N 1 1 186.343 2.105 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1[C@@H](CN)C(C)C 37082987 572085181 /nfs/dbraw/zinc/08/51/81/572085181.db2.gz XBFAZEPZLGVZSD-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)[C@@H](N)C[N@@H+](CC)C(C)C 37082436 572085463 /nfs/dbraw/zinc/08/54/63/572085463.db2.gz MJGVEINDSRVYKV-QWRGUYRKSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C)[C@@H]([NH3+])CN(CC)C(C)C 37082436 572085465 /nfs/dbraw/zinc/08/54/65/572085465.db2.gz MJGVEINDSRVYKV-QWRGUYRKSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[N@@H+](C[C@H](N)CC(C)C)C(C)C 37082441 572085501 /nfs/dbraw/zinc/08/55/01/572085501.db2.gz LQKAZNXQEJSKKS-LLVKDONJSA-N 1 1 186.343 2.090 10 0 AEAEMO CCN(C[C@H]([NH3+])CC(C)C)C(C)C 37082441 572085504 /nfs/dbraw/zinc/08/55/04/572085504.db2.gz LQKAZNXQEJSKKS-LLVKDONJSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1[C@@](C)(CC)CN 37083096 572085607 /nfs/dbraw/zinc/08/56/07/572085607.db2.gz VLJUAPKQCIORKA-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC(CN)(CCC)[N@@H+](C)C1CC1 37080826 572085688 /nfs/dbraw/zinc/08/56/88/572085688.db2.gz JKFQWZJKXPNKKQ-UHFFFAOYSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC(C[NH3+])(CCC)N(C)C1CC1 37080826 572085692 /nfs/dbraw/zinc/08/56/92/572085692.db2.gz JKFQWZJKXPNKKQ-UHFFFAOYSA-N 1 1 198.354 2.378 10 0 AEAEMO CC(C)C[C@@H](CN)[N@@H+](C)C1CCCC1 37084035 572086101 /nfs/dbraw/zinc/08/61/01/572086101.db2.gz XEYJNKCWVVBHQP-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)[C@@H](N)C[N@@H+](C)C1CCCC1 37092894 572085918 /nfs/dbraw/zinc/08/59/18/572085918.db2.gz UDJITBZZAHNSPF-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCNC[C@@H](CC)[N@H+](CC)CC1CC1 82686873 572085937 /nfs/dbraw/zinc/08/59/37/572085937.db2.gz VMJQDRBXRHWVFO-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CCNC[C@@H](CC)[N@@H+](CC)CC1CC1 82686873 572085941 /nfs/dbraw/zinc/08/59/41/572085941.db2.gz VMJQDRBXRHWVFO-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](CN)[N@H+]1CCCC[C@@H]1CC 37082977 572086219 /nfs/dbraw/zinc/08/62/19/572086219.db2.gz PHNYAUQOXGOUFV-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1C[C@H](N)C(C)C 37083500 572086313 /nfs/dbraw/zinc/08/63/13/572086313.db2.gz FEGZDYUOEKOUBU-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](C[C@@H](N)CC(C)C)C(C)C 37082442 572086406 /nfs/dbraw/zinc/08/64/06/572086406.db2.gz LQKAZNXQEJSKKS-NSHDSACASA-N 1 1 186.343 2.090 10 0 AEAEMO CCN(C[C@@H]([NH3+])CC(C)C)C(C)C 37082442 572086409 /nfs/dbraw/zinc/08/64/09/572086409.db2.gz LQKAZNXQEJSKKS-NSHDSACASA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](CNC)[N@H+](C)C(C)(C)CC 82687737 572086465 /nfs/dbraw/zinc/08/64/65/572086465.db2.gz DBRVZTFREIHBCX-SNVBAGLBSA-N 1 1 186.343 2.105 10 0 AEAEMO CC[C@H](CNC)[N@@H+](C)C(C)(C)CC 82687737 572086467 /nfs/dbraw/zinc/08/64/67/572086467.db2.gz DBRVZTFREIHBCX-SNVBAGLBSA-N 1 1 186.343 2.105 10 0 AEAEMO CCC[C@@](C)(CN)[N@@H+](CC)C(C)C 37081938 572087703 /nfs/dbraw/zinc/08/77/03/572087703.db2.gz HQRRQOJMBBPLAT-NSHDSACASA-N 1 1 186.343 2.234 10 0 AEAEMO CCCCCC[C@H](CN)[N@H+](C)C1CC1 37080786 572086891 /nfs/dbraw/zinc/08/68/91/572086891.db2.gz KCTYPVGHKLEZES-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCC[C@H](CN)[N@@H+](C)C1CC1 37080786 572086894 /nfs/dbraw/zinc/08/68/94/572086894.db2.gz KCTYPVGHKLEZES-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@H](C)[C@@H](N)C[N@@H+](C)C1CCCC1 37092895 572086999 /nfs/dbraw/zinc/08/69/99/572086999.db2.gz UDJITBZZAHNSPF-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@H+](C(C)C)[C@H](CN)c1ccco1 37081994 572087066 /nfs/dbraw/zinc/08/70/66/572087066.db2.gz RKBZZZNXVLFZSA-SNVBAGLBSA-N 1 1 196.294 2.010 10 0 AEAEMO CC[C@@H](C)[C@H](N)C[N@@H+](C)C1CCCC1 37092892 572087152 /nfs/dbraw/zinc/08/71/52/572087152.db2.gz UDJITBZZAHNSPF-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](C[C@@H](N)C(C)(C)C)C(C)C 37082074 572087723 /nfs/dbraw/zinc/08/77/23/572087723.db2.gz JGGZMHGCBVUOMY-SNVBAGLBSA-N 1 1 186.343 2.090 10 0 AEAEMO CCN(C[C@@H]([NH3+])C(C)(C)C)C(C)C 37082074 572087724 /nfs/dbraw/zinc/08/77/24/572087724.db2.gz JGGZMHGCBVUOMY-SNVBAGLBSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@H](C)[C@H](N)C[N@@H+](CC)C(C)C 37082433 572087248 /nfs/dbraw/zinc/08/72/48/572087248.db2.gz MJGVEINDSRVYKV-GHMZBOCLSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@H](C)[C@H]([NH3+])CN(CC)C(C)C 37082433 572087250 /nfs/dbraw/zinc/08/72/50/572087250.db2.gz MJGVEINDSRVYKV-GHMZBOCLSA-N 1 1 186.343 2.090 10 0 AEAEMO C[N@@H+](C[C@H](N)C(C)(C)C)C1CCCC1 37084294 572087263 /nfs/dbraw/zinc/08/72/63/572087263.db2.gz NNSGVOPVWVTNNJ-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CN(C[C@H]([NH3+])C(C)(C)C)C1CCCC1 37084294 572087264 /nfs/dbraw/zinc/08/72/64/572087264.db2.gz NNSGVOPVWVTNNJ-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@H](CN)[N@@H+](C)C1CCCC1 37084036 572087341 /nfs/dbraw/zinc/08/73/41/572087341.db2.gz XEYJNKCWVVBHQP-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](C(C)C)[C@H](CN)CC(C)C 37081777 572087397 /nfs/dbraw/zinc/08/73/97/572087397.db2.gz HXRLUBDGHQGSQX-NSHDSACASA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1[C@@](C)(CC)CN 37083097 572087438 /nfs/dbraw/zinc/08/74/38/572087438.db2.gz VLJUAPKQCIORKA-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO C[N@@H+](C[C@@H](N)C(C)(C)C)C1CCCC1 37084293 572087445 /nfs/dbraw/zinc/08/74/45/572087445.db2.gz NNSGVOPVWVTNNJ-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CN(C[C@@H]([NH3+])C(C)(C)C)C1CCCC1 37084293 572087446 /nfs/dbraw/zinc/08/74/46/572087446.db2.gz NNSGVOPVWVTNNJ-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)[C@H](N)C[N@@H+](CC)C(C)C 37082434 572087536 /nfs/dbraw/zinc/08/75/36/572087536.db2.gz MJGVEINDSRVYKV-WDEREUQCSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C)[C@H]([NH3+])CN(CC)C(C)C 37082434 572087541 /nfs/dbraw/zinc/08/75/41/572087541.db2.gz MJGVEINDSRVYKV-WDEREUQCSA-N 1 1 186.343 2.090 10 0 AEAEMO CCCCCC[C@@H](CN)[N@H+](C)C1CC1 37080785 572087549 /nfs/dbraw/zinc/08/75/49/572087549.db2.gz KCTYPVGHKLEZES-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCC[C@@H](CN)[N@@H+](C)C1CC1 37080785 572087552 /nfs/dbraw/zinc/08/75/52/572087552.db2.gz KCTYPVGHKLEZES-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@@H](C)[C@@H](N)C[N@@H+](CC)C(C)C 37082435 572087616 /nfs/dbraw/zinc/08/76/16/572087616.db2.gz MJGVEINDSRVYKV-MNOVXSKESA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@H](C)[C@@H]([NH3+])CN(CC)C(C)C 37082435 572087621 /nfs/dbraw/zinc/08/76/21/572087621.db2.gz MJGVEINDSRVYKV-MNOVXSKESA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C)[C@H](N)C[N@@H+](C)C1CCCC1 37092893 572088030 /nfs/dbraw/zinc/08/80/30/572088030.db2.gz UDJITBZZAHNSPF-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](CC[C@@H]1CCCC[NH2+]1)C(C)C 37082390 572088046 /nfs/dbraw/zinc/08/80/46/572088046.db2.gz YFXMWHYXSSCSNM-LBPRGKRZSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[N@@H+](CC[C@H]1CCCC[NH2+]1)C(C)C 37082391 572088059 /nfs/dbraw/zinc/08/80/59/572088059.db2.gz YFXMWHYXSSCSNM-GFCCVEGCSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](CC[NH3+])[N@H+]1CCCC[C@H]1CC 37082857 572088101 /nfs/dbraw/zinc/08/81/01/572088101.db2.gz BWGVBMVDDOQEIQ-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1C[C@H](N)C(C)C 37083499 572088126 /nfs/dbraw/zinc/08/81/26/572088126.db2.gz FEGZDYUOEKOUBU-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+](CC)[C@H]1CCCCC[C@@H]1N 37094871 572088504 /nfs/dbraw/zinc/08/85/04/572088504.db2.gz ZZSJIHCKKJRDMQ-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[N@H+](C1CC1)[C@@H](CN)CC(C)C 37096864 572088492 /nfs/dbraw/zinc/08/84/92/572088492.db2.gz JQYDSQJKRBRHPE-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCN(C1CC1)[C@@H](C[NH3+])CC(C)C 37096864 572088494 /nfs/dbraw/zinc/08/84/94/572088494.db2.gz JQYDSQJKRBRHPE-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCN(c1ccc(N)c[nH+]1)C1CC1 37096834 572088781 /nfs/dbraw/zinc/08/87/81/572088781.db2.gz BDZJAMHMWSAFAN-UHFFFAOYSA-N 1 1 191.278 2.043 10 0 AEAEMO CCC[N@H+](C[C@H]1CCCCN1)C(C)C 37096356 572088795 /nfs/dbraw/zinc/08/87/95/572088795.db2.gz SEWIRZMZRSGOAK-GFCCVEGCSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@@H+](C[C@H]1CCCCN1)C(C)C 37096356 572088797 /nfs/dbraw/zinc/08/87/97/572088797.db2.gz SEWIRZMZRSGOAK-GFCCVEGCSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@@H+](C(C)C)C1(CN)CCCC1 37095912 572088818 /nfs/dbraw/zinc/08/88/18/572088818.db2.gz XIBHJUIIHKUMPF-UHFFFAOYSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[N@@H+](CC)C[C@@H](N)[C@@H](C)CC 37095213 572088934 /nfs/dbraw/zinc/08/89/34/572088934.db2.gz LALOUTZORRZYFV-WDEREUQCSA-N 1 1 186.343 2.092 10 0 AEAEMO CCCN(CC)C[C@@H]([NH3+])[C@@H](C)CC 37095213 572088935 /nfs/dbraw/zinc/08/89/35/572088935.db2.gz LALOUTZORRZYFV-WDEREUQCSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[N@@H+](C[C@H](N)C(C)C)C(C)C 37096347 572089096 /nfs/dbraw/zinc/08/90/96/572089096.db2.gz XVUBLIDIIYAJEH-NSHDSACASA-N 1 1 186.343 2.090 10 0 AEAEMO CCCN(C[C@H]([NH3+])C(C)C)C(C)C 37096347 572089097 /nfs/dbraw/zinc/08/90/97/572089097.db2.gz XVUBLIDIIYAJEH-NSHDSACASA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[N@@H+](C)[C@@]1(CN)CCC[C@H](C)C1 37098138 572089160 /nfs/dbraw/zinc/08/91/60/572089160.db2.gz FOXKPVFLTCCAOU-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[N@@H+](CCC(C)=O)C(C)C 37096468 572089295 /nfs/dbraw/zinc/08/92/95/572089295.db2.gz JPTJMLMPWFSNBU-UHFFFAOYSA-N 1 1 171.284 2.086 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@@H](CN)C(C)C 37095750 572089388 /nfs/dbraw/zinc/08/93/88/572089388.db2.gz SPWYQDNNXDHEJZ-NSHDSACASA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[N@@H+](CC)[C@@H]1CCCCC[C@@H]1N 37094870 572090004 /nfs/dbraw/zinc/09/00/04/572090004.db2.gz ZZSJIHCKKJRDMQ-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[N@@H+](C1CC1)C(CC)(CC)CN 37097012 572090041 /nfs/dbraw/zinc/09/00/41/572090041.db2.gz LGRIOZDSNAKIAE-UHFFFAOYSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[N@@H+](C1CC1)[C@@](C)(CN)CCC 37097007 572090085 /nfs/dbraw/zinc/09/00/85/572090085.db2.gz LXJZDYKOBFRDTE-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@@H](CN)[N@@H+](CCC)C(C)C 37095740 572091384 /nfs/dbraw/zinc/09/13/84/572091384.db2.gz VXVWFIOXZZVQJZ-NSHDSACASA-N 1 1 186.343 2.234 10 0 AEAEMO CS[C@@H]1CC[C@@H]([NH2+]CC(F)F)C1 235123798 572090222 /nfs/dbraw/zinc/09/02/22/572090222.db2.gz KIDURBKPNOSWBO-RNFRBKRXSA-N 1 1 195.278 2.125 10 0 AEAEMO CCC[N@@H+](C1CC1)[C@](C)(CN)CCC 37097006 572090299 /nfs/dbraw/zinc/09/02/99/572090299.db2.gz LXJZDYKOBFRDTE-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCN(c1ccc(N)[nH+]c1)C(C)C 37095631 572090330 /nfs/dbraw/zinc/09/03/30/572090330.db2.gz SDBKMWCIKMHYOP-UHFFFAOYSA-N 1 1 193.294 2.289 10 0 AEAEMO CCC[N@H+](C[C@@H]1CCCCN1)C(C)C 37096355 572090354 /nfs/dbraw/zinc/09/03/54/572090354.db2.gz SEWIRZMZRSGOAK-LBPRGKRZSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@@H+](C[C@@H]1CCCCN1)C(C)C 37096355 572090358 /nfs/dbraw/zinc/09/03/58/572090358.db2.gz SEWIRZMZRSGOAK-LBPRGKRZSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@H](CN)C(C)C 37095751 572090372 /nfs/dbraw/zinc/09/03/72/572090372.db2.gz SPWYQDNNXDHEJZ-LLVKDONJSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[C@H](CN)[N@@H+](CCC)C(C)C 37095741 572090496 /nfs/dbraw/zinc/09/04/96/572090496.db2.gz VXVWFIOXZZVQJZ-LLVKDONJSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[N@@H+](CC)[C@@H]1C[C@H](C)CC[C@@H]1N 37094878 572090707 /nfs/dbraw/zinc/09/07/07/572090707.db2.gz KCAQLOMJQZSCJC-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@H+](C1CC1)[C@H](CN)CC(C)C 37096863 572090879 /nfs/dbraw/zinc/09/08/79/572090879.db2.gz JQYDSQJKRBRHPE-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCN(C1CC1)[C@H](C[NH3+])CC(C)C 37096863 572090881 /nfs/dbraw/zinc/09/08/81/572090881.db2.gz JQYDSQJKRBRHPE-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCN(c1[nH+]cccc1N)C(C)C 37095637 572090901 /nfs/dbraw/zinc/09/09/01/572090901.db2.gz URDBWEKCPLTFMY-UHFFFAOYSA-N 1 1 193.294 2.289 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@@](C)(CC)CN 37095918 572090926 /nfs/dbraw/zinc/09/09/26/572090926.db2.gz KUYIZQLEIUJESN-NSHDSACASA-N 1 1 186.343 2.234 10 0 AEAEMO CCCN(c1ccc(N)[nH+]c1)C1CC1 37096823 572091117 /nfs/dbraw/zinc/09/11/17/572091117.db2.gz ZBDNBLCOTKOTBH-UHFFFAOYSA-N 1 1 191.278 2.043 10 0 AEAEMO CCC[N@@H+](CC)C[C@H](N)C(C)(C)C 37094874 572091217 /nfs/dbraw/zinc/09/12/17/572091217.db2.gz CAIAVOLJCNUQCN-JTQLQIEISA-N 1 1 186.343 2.092 10 0 AEAEMO CCCN(CC)C[C@H]([NH3+])C(C)(C)C 37094874 572091220 /nfs/dbraw/zinc/09/12/20/572091220.db2.gz CAIAVOLJCNUQCN-JTQLQIEISA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[N@@H+](CC)C[C@@H](N)C(C)(C)C 37094875 572091252 /nfs/dbraw/zinc/09/12/52/572091252.db2.gz CAIAVOLJCNUQCN-SNVBAGLBSA-N 1 1 186.343 2.092 10 0 AEAEMO CCCN(CC)C[C@@H]([NH3+])C(C)(C)C 37094875 572091254 /nfs/dbraw/zinc/09/12/54/572091254.db2.gz CAIAVOLJCNUQCN-SNVBAGLBSA-N 1 1 186.343 2.092 10 0 AEAEMO CCCN(c1[nH+]cccc1N)C1CC1 37096830 572091455 /nfs/dbraw/zinc/09/14/55/572091455.db2.gz SUPFMIXLTBPVCU-UHFFFAOYSA-N 1 1 191.278 2.043 10 0 AEAEMO CCC[N@@H+](C[C@H](N)C(C)(C)C)C1CC1 37097135 572091512 /nfs/dbraw/zinc/09/15/12/572091512.db2.gz MBRQVVUFUIDAAY-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+](CC)CC1(N)CCCCC1 37095197 572091718 /nfs/dbraw/zinc/09/17/18/572091718.db2.gz LWGAHAKYMNXATI-UHFFFAOYSA-N 1 1 198.354 2.380 10 0 AEAEMO CCCN(CC)CC1([NH3+])CCCCC1 37095197 572091719 /nfs/dbraw/zinc/09/17/19/572091719.db2.gz LWGAHAKYMNXATI-UHFFFAOYSA-N 1 1 198.354 2.380 10 0 AEAEMO CCC[N@@H+](C1CC1)C1(CN)CCCC1 37097023 572091736 /nfs/dbraw/zinc/09/17/36/572091736.db2.gz SYZJTDKQPWHWPM-UHFFFAOYSA-N 1 1 196.338 2.132 10 0 AEAEMO CCC[N@@H+](C1CC1)[C@H]1CCCC[C@@H]1N 37097185 572091742 /nfs/dbraw/zinc/09/17/42/572091742.db2.gz GMOUCERMNJBJCH-RYUDHWBXSA-N 1 1 196.338 2.131 10 0 AEAEMO CCCN(C1CC1)[C@H]1CCCC[C@@H]1[NH3+] 37097185 572091747 /nfs/dbraw/zinc/09/17/47/572091747.db2.gz GMOUCERMNJBJCH-RYUDHWBXSA-N 1 1 196.338 2.131 10 0 AEAEMO CCC[N@@H+](C1CC1)[C@@H]1CCCC[C@@H]1N 37097184 572091825 /nfs/dbraw/zinc/09/18/25/572091825.db2.gz GMOUCERMNJBJCH-NWDGAFQWSA-N 1 1 196.338 2.131 10 0 AEAEMO CCCN(C1CC1)[C@@H]1CCCC[C@@H]1[NH3+] 37097184 572091831 /nfs/dbraw/zinc/09/18/31/572091831.db2.gz GMOUCERMNJBJCH-NWDGAFQWSA-N 1 1 196.338 2.131 10 0 AEAEMO CCCCC[C@H](CN)[N@@H+](C)CCC 37098089 572092167 /nfs/dbraw/zinc/09/21/67/572092167.db2.gz NMYJYUDJCSOOPR-LLVKDONJSA-N 1 1 186.343 2.236 10 0 AEAEMO CCCCC[C@H](C[NH3+])N(C)CCC 37098089 572092170 /nfs/dbraw/zinc/09/21/70/572092170.db2.gz NMYJYUDJCSOOPR-LLVKDONJSA-N 1 1 186.343 2.236 10 0 AEAEMO CC(C)CN(C)CC1([NH3+])CCCCC1 37108718 572092176 /nfs/dbraw/zinc/09/21/76/572092176.db2.gz BAKKQLISUPIPEX-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H](C)[N@@H+](C)Cc1ccccc1N 37109279 572092232 /nfs/dbraw/zinc/09/22/32/572092232.db2.gz OCRWVOPFYHMJRC-JTQLQIEISA-N 1 1 192.306 2.499 10 0 AEAEMO CCC[N@@H+](C)[C@]1(CN)CCCC[C@@H]1C 37098110 572092573 /nfs/dbraw/zinc/09/25/73/572092573.db2.gz BRLSVYPPEGYHRF-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[N@@H+](C)Cc1ccc(C)c(N)c1 37098573 572092904 /nfs/dbraw/zinc/09/29/04/572092904.db2.gz FSBPPQRBDHGLON-UHFFFAOYSA-N 1 1 192.306 2.419 10 0 AEAEMO CCC(CC)(CN)[N@@H+](C)CC(C)C 37108274 572092977 /nfs/dbraw/zinc/09/29/77/572092977.db2.gz GYAYICVTGJYVSV-UHFFFAOYSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[N@@H+](C)[C@@](C)(CN)CC(C)C 37098120 572093060 /nfs/dbraw/zinc/09/30/60/572093060.db2.gz OTEQDBYOXBIFRQ-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[N@@H+](C[C@H]([NH3+])[C@@H](C)CC)C1CC1 37097469 572093461 /nfs/dbraw/zinc/09/34/61/572093461.db2.gz HWPDRVGNNVSIQY-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCN(C[C@H]([NH3+])[C@@H](C)CC)C1CC1 37097469 572093463 /nfs/dbraw/zinc/09/34/63/572093463.db2.gz HWPDRVGNNVSIQY-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@H+](C[C@H](N)[C@@H](C)CC)C1CC1 37097469 572093466 /nfs/dbraw/zinc/09/34/66/572093466.db2.gz HWPDRVGNNVSIQY-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+](C[C@H](N)[C@@H](C)CC)C1CC1 37097469 572093471 /nfs/dbraw/zinc/09/34/71/572093471.db2.gz HWPDRVGNNVSIQY-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCC[C@@H](CN)[N@@H+](C)CCC 37098088 572093593 /nfs/dbraw/zinc/09/35/93/572093593.db2.gz NMYJYUDJCSOOPR-NSHDSACASA-N 1 1 186.343 2.236 10 0 AEAEMO CCCCC[C@@H](C[NH3+])N(C)CCC 37098088 572093596 /nfs/dbraw/zinc/09/35/96/572093596.db2.gz NMYJYUDJCSOOPR-NSHDSACASA-N 1 1 186.343 2.236 10 0 AEAEMO CC(C)C[N@@H+](C)CC[C@H]1CCCC[NH2+]1 37108667 572094882 /nfs/dbraw/zinc/09/48/82/572094882.db2.gz ZKIQKJDIEPHLOX-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[N@@H+](C)Cc1ccccc1N 37097748 572094000 /nfs/dbraw/zinc/09/40/00/572094000.db2.gz PZANEUISBVRXLJ-UHFFFAOYSA-N 1 1 178.279 2.111 10 0 AEAEMO CCC[N@@H+](C)[C@H](CN)C1CCCCC1 37097983 572094045 /nfs/dbraw/zinc/09/40/45/572094045.db2.gz DWXOAOROWSCFCI-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[N@@H+](C)[C@]1(CN)CCC[C@H](C)C1 37098137 572094171 /nfs/dbraw/zinc/09/41/71/572094171.db2.gz FOXKPVFLTCCAOU-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[N@@H+](C)[C@@H](CN)C1CCCCC1 37097982 572094203 /nfs/dbraw/zinc/09/42/03/572094203.db2.gz DWXOAOROWSCFCI-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[N@@H+](C)C1(CN)CCCCCC1 37098123 572094250 /nfs/dbraw/zinc/09/42/50/572094250.db2.gz VHJDFOWIZXMROS-UHFFFAOYSA-N 1 1 198.354 2.380 10 0 AEAEMO CCC[N@@H+](C)C1(CN)CCC(C)CC1 37098133 572094271 /nfs/dbraw/zinc/09/42/71/572094271.db2.gz UNWGKBVGWGUKKC-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[N@@H+](C)Cc1ccc(N)c(C)c1 37098565 572094909 /nfs/dbraw/zinc/09/49/09/572094909.db2.gz RIWUVSSOYLNTGU-UHFFFAOYSA-N 1 1 192.306 2.419 10 0 AEAEMO CCC[N@@H+](C)[C@@H]1C[C@H](CC)CC[C@@H]1N 37098363 572094296 /nfs/dbraw/zinc/09/42/96/572094296.db2.gz FPQMXRCZBFSMDD-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+](C)[C@H](CN)C(CC)CC 37097985 572094409 /nfs/dbraw/zinc/09/44/09/572094409.db2.gz WSFWFNCQQJHAKY-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@](C)(CN)[N@@H+](C)CC(C)C 37108267 572094476 /nfs/dbraw/zinc/09/44/76/572094476.db2.gz ZAOSLRLPPRRTRO-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[N@@H+](C)[C@@H](CN)C(CC)CC 37097984 572094769 /nfs/dbraw/zinc/09/47/69/572094769.db2.gz WSFWFNCQQJHAKY-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[N@@H+](C[C@@H]([NH3+])[C@@H](C)CC)C1CC1 37097470 572094858 /nfs/dbraw/zinc/09/48/58/572094858.db2.gz HWPDRVGNNVSIQY-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCN(C[C@@H]([NH3+])[C@@H](C)CC)C1CC1 37097470 572094864 /nfs/dbraw/zinc/09/48/64/572094864.db2.gz HWPDRVGNNVSIQY-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@H+](C[C@@H](N)[C@@H](C)CC)C1CC1 37097470 572094866 /nfs/dbraw/zinc/09/48/66/572094866.db2.gz HWPDRVGNNVSIQY-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+](C[C@@H](N)[C@@H](C)CC)C1CC1 37097470 572094870 /nfs/dbraw/zinc/09/48/70/572094870.db2.gz HWPDRVGNNVSIQY-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)Cc1ccccc1N 37109278 572095080 /nfs/dbraw/zinc/09/50/80/572095080.db2.gz OCRWVOPFYHMJRC-SNVBAGLBSA-N 1 1 192.306 2.499 10 0 AEAEMO CCC[N@@H+](C)[C@@]1(CN)CCCC[C@@H]1C 37098111 572095165 /nfs/dbraw/zinc/09/51/65/572095165.db2.gz BRLSVYPPEGYHRF-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)C[N@@H+](C)CC[C@@H]1CCCC[NH2+]1 37108666 572095235 /nfs/dbraw/zinc/09/52/35/572095235.db2.gz ZKIQKJDIEPHLOX-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[N@@H+](C)[C@](C)(CN)CC(C)C 37098119 572095277 /nfs/dbraw/zinc/09/52/77/572095277.db2.gz OTEQDBYOXBIFRQ-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)[C@@H](CN)C(C)C 37112549 572095694 /nfs/dbraw/zinc/09/56/94/572095694.db2.gz JBVCCXLWSSWBFM-MNOVXSKESA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[C@](C)(CN)[N@@H+](C)[C@@H](C)CC 37109829 572095738 /nfs/dbraw/zinc/09/57/38/572095738.db2.gz PHJHTXFPZLFXIU-WDEREUQCSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)CC1(N)CCCCC1 37110398 572095857 /nfs/dbraw/zinc/09/58/57/572095857.db2.gz MFQHQFSOKUZGRK-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@@H](C)N(C)CC1([NH3+])CCCCC1 37110398 572095862 /nfs/dbraw/zinc/09/58/62/572095862.db2.gz MFQHQFSOKUZGRK-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@@H](C)[N@H+](CC)C[C@@H]1CCCCN1 37113415 572096134 /nfs/dbraw/zinc/09/61/34/572096134.db2.gz JAWUWKMMYMNPBM-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)C[C@@H]1CCCCN1 37113415 572096136 /nfs/dbraw/zinc/09/61/36/572096136.db2.gz JAWUWKMMYMNPBM-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C)[C@H]([NH3+])CN(C)[C@@H](C)CC 37110421 572096281 /nfs/dbraw/zinc/09/62/81/572096281.db2.gz OFGXJWIPEOLCIT-GARJFASQSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C)N(CC)c1[nH+]cccc1N 37112508 572096875 /nfs/dbraw/zinc/09/68/75/572096875.db2.gz IOPCUYGTWXUMFJ-VIFPVBQESA-N 1 1 193.294 2.289 10 0 AEAEMO CCC[C@@](C)(CN)[N@@H+](C)[C@@H](C)CC 37109828 572096465 /nfs/dbraw/zinc/09/64/65/572096465.db2.gz PHJHTXFPZLFXIU-QWRGUYRKSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@H](C)[N@H+](C)[C@@H](CN)c1ccco1 37109901 572096529 /nfs/dbraw/zinc/09/65/29/572096529.db2.gz JIVWPXSBICNAAO-UWVGGRQHSA-N 1 1 196.294 2.010 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@H](CN)c1ccco1 37109901 572096532 /nfs/dbraw/zinc/09/65/32/572096532.db2.gz JIVWPXSBICNAAO-UWVGGRQHSA-N 1 1 196.294 2.010 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)C1(CN)CCCC1 37112734 572096823 /nfs/dbraw/zinc/09/68/23/572096823.db2.gz AYGMTFUHIHOSRS-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@H](C)[N@@H+](C)C(CC)(CC)CN 37109837 572096853 /nfs/dbraw/zinc/09/68/53/572096853.db2.gz WRMHTRUEDKEPID-JTQLQIEISA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@@H](CC[NH3+])[N@@H+](CC)CC(C)C 37111008 572096650 /nfs/dbraw/zinc/09/66/50/572096650.db2.gz HWXAONXEEPPGKL-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@@H](CC)CC[NH3+] 37112426 572096728 /nfs/dbraw/zinc/09/67/28/572096728.db2.gz ZAFSRMBYNOMLGY-QWRGUYRKSA-N 1 1 186.343 2.234 10 0 AEAEMO CSC1(C[NH2+][C@@H](C)C(F)F)CC1 235130138 572097059 /nfs/dbraw/zinc/09/70/59/572097059.db2.gz QSAIHSNHIMPPKZ-LURJTMIESA-N 1 1 195.278 2.125 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)[C@@](C)(CC)CN 37112743 572097243 /nfs/dbraw/zinc/09/72/43/572097243.db2.gz XJKVUTXBGHBEMW-MNOVXSKESA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)C1(CN)CCCCC1 37109848 572097454 /nfs/dbraw/zinc/09/74/54/572097454.db2.gz FDTHPHDDUBOWSX-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@@](C)(CC)CN 37111267 572097343 /nfs/dbraw/zinc/09/73/43/572097343.db2.gz ADMQRQAUZRBYIS-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@H](CN)[N@@H+](CC)[C@@H](C)CC 37112540 572097428 /nfs/dbraw/zinc/09/74/28/572097428.db2.gz GIQCGKAIXDMRRX-WDEREUQCSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@](C)(CC)CN 37111268 572097498 /nfs/dbraw/zinc/09/74/98/572097498.db2.gz ADMQRQAUZRBYIS-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CC[N@H+](CC(C)C)C[C@H]1CCCCN1 37111789 572097761 /nfs/dbraw/zinc/09/77/61/572097761.db2.gz DLHSMXHTDIZCMA-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[N@@H+](CC(C)C)C[C@H]1CCCCN1 37111789 572097765 /nfs/dbraw/zinc/09/77/65/572097765.db2.gz DLHSMXHTDIZCMA-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)[C@@H](N)C[N@@H+](C)[C@@H](C)CC 37110423 572097845 /nfs/dbraw/zinc/09/78/45/572097845.db2.gz OFGXJWIPEOLCIT-DCAQKATOSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C)[C@@H]([NH3+])CN(C)[C@@H](C)CC 37110423 572097847 /nfs/dbraw/zinc/09/78/47/572097847.db2.gz OFGXJWIPEOLCIT-DCAQKATOSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)[C@H](CN)CC(C)C 37109664 572097877 /nfs/dbraw/zinc/09/78/77/572097877.db2.gz OOCRGPLMMKXVER-MNOVXSKESA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)C[C@H](N)C(C)C 37113406 572097989 /nfs/dbraw/zinc/09/79/89/572097989.db2.gz ZGDOFKIGSAJPCM-QWRGUYRKSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)CCC(C)=O 37113611 572098135 /nfs/dbraw/zinc/09/81/35/572098135.db2.gz BDGOZKCLOWSFGG-SECBINFHSA-N 1 1 171.284 2.086 10 0 AEAEMO CC[N@H+](CC(C)C)C[C@@H]1CCCCN1 37111788 572098397 /nfs/dbraw/zinc/09/83/97/572098397.db2.gz DLHSMXHTDIZCMA-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)[N@H+](CC)C[C@@H]1CCCCN1 37113416 572098194 /nfs/dbraw/zinc/09/81/94/572098194.db2.gz JAWUWKMMYMNPBM-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)C[C@@H]1CCCCN1 37113416 572098197 /nfs/dbraw/zinc/09/81/97/572098197.db2.gz JAWUWKMMYMNPBM-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[N@@H+](CC(C)C)C[C@@H]1CCCCN1 37111788 572098400 /nfs/dbraw/zinc/09/84/00/572098400.db2.gz DLHSMXHTDIZCMA-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](C)N(CC)c1[nH+]cccc1N 37112507 572098253 /nfs/dbraw/zinc/09/82/53/572098253.db2.gz IOPCUYGTWXUMFJ-SECBINFHSA-N 1 1 193.294 2.289 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@H](CN)CC(C)C 37109665 572098304 /nfs/dbraw/zinc/09/83/04/572098304.db2.gz OOCRGPLMMKXVER-QWRGUYRKSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)CCC(C)=O 37113612 572098316 /nfs/dbraw/zinc/09/83/16/572098316.db2.gz BDGOZKCLOWSFGG-VIFPVBQESA-N 1 1 171.284 2.086 10 0 AEAEMO CCC[C@@H](CN)[N@@H+](CC)[C@@H](C)CC 37112539 572098562 /nfs/dbraw/zinc/09/85/62/572098562.db2.gz GIQCGKAIXDMRRX-QWRGUYRKSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)C(CC)(CC)CN 37109836 572098636 /nfs/dbraw/zinc/09/86/36/572098636.db2.gz WRMHTRUEDKEPID-SNVBAGLBSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@H](C)[N@@H+](C)C1(CN)CCCCC1 37109849 572098732 /nfs/dbraw/zinc/09/87/32/572098732.db2.gz FDTHPHDDUBOWSX-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@H](CC[NH3+])[N@@H+](CC)CC(C)C 37111009 572098786 /nfs/dbraw/zinc/09/87/86/572098786.db2.gz HWXAONXEEPPGKL-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@H](C)[N@@H+](C)C[C@H](N)C(C)(C)C 37109955 572098810 /nfs/dbraw/zinc/09/88/10/572098810.db2.gz OFPFVSOLPBXJDL-UWVGGRQHSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C)N(C)C[C@H]([NH3+])C(C)(C)C 37109955 572098813 /nfs/dbraw/zinc/09/88/13/572098813.db2.gz OFPFVSOLPBXJDL-UWVGGRQHSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[C@H](CN)[N@@H+](CC)CC(C)C 37111092 572098998 /nfs/dbraw/zinc/09/89/98/572098998.db2.gz ZRRQPDBXTBEQPX-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)C[C@H](N)C(C)(C)C 37109954 572099058 /nfs/dbraw/zinc/09/90/58/572099058.db2.gz OFPFVSOLPBXJDL-ZJUUUORDSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@H](C)N(C)C[C@H]([NH3+])C(C)(C)C 37109954 572099059 /nfs/dbraw/zinc/09/90/59/572099059.db2.gz OFPFVSOLPBXJDL-ZJUUUORDSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[N@@H+](CC(C)C)C1(CN)CCCC1 37111262 572099099 /nfs/dbraw/zinc/09/90/99/572099099.db2.gz JNMYMEODQQNPMR-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H](C)[N@@H+](C)CC1(N)CCCCC1 37110399 572099141 /nfs/dbraw/zinc/09/91/41/572099141.db2.gz MFQHQFSOKUZGRK-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@H](C)N(C)CC1([NH3+])CCCCC1 37110399 572099143 /nfs/dbraw/zinc/09/91/43/572099143.db2.gz MFQHQFSOKUZGRK-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@@H](CN)[N@@H+](CC)CC(C)C 37111091 572099173 /nfs/dbraw/zinc/09/91/73/572099173.db2.gz ZRRQPDBXTBEQPX-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@@H](N)[C@H](C)[N@@H+](C)C1CCCCC1 37116792 572099738 /nfs/dbraw/zinc/09/97/38/572099738.db2.gz GEYRMLXXZJDGEW-CMPLNLGQSA-N 1 1 198.354 2.377 10 0 AEAEMO CC[C@@H]([NH3+])[C@H](C)N(C)C1CCCCC1 37116792 572099740 /nfs/dbraw/zinc/09/97/40/572099740.db2.gz GEYRMLXXZJDGEW-CMPLNLGQSA-N 1 1 198.354 2.377 10 0 AEAEMO CC1(C)CCOc2cc[nH+]cc21 34599157 572100920 /nfs/dbraw/zinc/10/09/20/572100920.db2.gz USHWKDCYTSQKHF-UHFFFAOYSA-N 1 1 163.220 2.142 10 0 AEAEMO CC[C@H](N)[C@@H](C)[N@@H+](C)C1CCCCC1 37116789 572100878 /nfs/dbraw/zinc/10/08/78/572100878.db2.gz GEYRMLXXZJDGEW-PWSUYJOCSA-N 1 1 198.354 2.377 10 0 AEAEMO CC[C@H]([NH3+])[C@@H](C)N(C)C1CCCCC1 37116789 572100880 /nfs/dbraw/zinc/10/08/80/572100880.db2.gz GEYRMLXXZJDGEW-PWSUYJOCSA-N 1 1 198.354 2.377 10 0 AEAEMO CC[C@@H](N)[C@@H](C)[N@@H+](C)C1CCCCC1 37116790 572101542 /nfs/dbraw/zinc/10/15/42/572101542.db2.gz GEYRMLXXZJDGEW-ZYHUDNBSSA-N 1 1 198.354 2.377 10 0 AEAEMO CC[C@@H]([NH3+])[C@@H](C)N(C)C1CCCCC1 37116790 572101545 /nfs/dbraw/zinc/10/15/45/572101545.db2.gz GEYRMLXXZJDGEW-ZYHUDNBSSA-N 1 1 198.354 2.377 10 0 AEAEMO C[C@H]1CCC[C@H](C)N1[NH2+]CCCF 214946000 572101894 /nfs/dbraw/zinc/10/18/94/572101894.db2.gz CZOOJUPFLBKSIA-UWVGGRQHSA-N 1 1 188.290 2.114 10 0 AEAEMO COC(=[NH2+])[C@@H]1C[C@@H]1c1ccccc1 71477111 572101935 /nfs/dbraw/zinc/10/19/35/572101935.db2.gz BMYMJLCZEYMXPS-NXEZZACHSA-N 1 1 175.231 2.414 10 0 AEAEMO C[C@H]1CCC[C@@H](C)N1[NH2+]CCCF 214945952 572102185 /nfs/dbraw/zinc/10/21/85/572102185.db2.gz CZOOJUPFLBKSIA-AOOOYVTPSA-N 1 1 188.290 2.114 10 0 AEAEMO CC[C@H](C)C[N@H+](CC)[C@H]1CCCNC1 251925467 572102192 /nfs/dbraw/zinc/10/21/92/572102192.db2.gz QPOOKCDFZCIFFM-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)C[N@@H+](CC)[C@H]1CCCNC1 251925467 572102194 /nfs/dbraw/zinc/10/21/94/572102194.db2.gz QPOOKCDFZCIFFM-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](C)C[N@H+](CC)[C@H]1CCCNC1 251925464 572102226 /nfs/dbraw/zinc/10/22/26/572102226.db2.gz QPOOKCDFZCIFFM-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](C)C[N@@H+](CC)[C@H]1CCCNC1 251925464 572102228 /nfs/dbraw/zinc/10/22/28/572102228.db2.gz QPOOKCDFZCIFFM-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO C[C@@H]1CCC[C@@H](C)N1[NH2+]CCCF 214946049 572102413 /nfs/dbraw/zinc/10/24/13/572102413.db2.gz CZOOJUPFLBKSIA-NXEZZACHSA-N 1 1 188.290 2.114 10 0 AEAEMO COC(=[NH2+])[C@H]1C[C@@H]1c1ccccc1 71477113 572102733 /nfs/dbraw/zinc/10/27/33/572102733.db2.gz BMYMJLCZEYMXPS-ZJUUUORDSA-N 1 1 175.231 2.414 10 0 AEAEMO CS[C@@H]1CC[C@H]([NH2+]CC(F)F)C1 235135750 572102739 /nfs/dbraw/zinc/10/27/39/572102739.db2.gz KIDURBKPNOSWBO-NKWVEPMBSA-N 1 1 195.278 2.125 10 0 AEAEMO Nc1c2c([nH+]c3sccc13)CCC2 34628811 572102892 /nfs/dbraw/zinc/10/28/92/572102892.db2.gz IAXLWBAUKZRNCC-UHFFFAOYSA-N 1 1 190.271 2.367 10 0 AEAEMO CC[C@@H](C)CN(C)c1ccc(N)[nH+]c1 37172812 572102953 /nfs/dbraw/zinc/10/29/53/572102953.db2.gz CREQSEDTNPECKE-SECBINFHSA-N 1 1 193.294 2.146 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)C1(CN)CCCC1 37172734 572102982 /nfs/dbraw/zinc/10/29/82/572102982.db2.gz SXFFNJBERKGQRC-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@@](C)(CC)CN 37172743 572103157 /nfs/dbraw/zinc/10/31/57/572103157.db2.gz QRWGVZNXYGWYNV-QWRGUYRKSA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@@H](C)CN(C)c1ccc(N)c[nH+]1 37172830 572103207 /nfs/dbraw/zinc/10/32/07/572103207.db2.gz ZDOLQAITMNEIBV-SECBINFHSA-N 1 1 193.294 2.146 10 0 AEAEMO CC[C@H](C)CN(C)c1ccc(N)[nH+]c1 37172813 572103500 /nfs/dbraw/zinc/10/35/00/572103500.db2.gz CREQSEDTNPECKE-VIFPVBQESA-N 1 1 193.294 2.146 10 0 AEAEMO CC[C@H](C)CN(C)c1ccc(N)c[nH+]1 37172831 572103758 /nfs/dbraw/zinc/10/37/58/572103758.db2.gz ZDOLQAITMNEIBV-VIFPVBQESA-N 1 1 193.294 2.146 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@@H](C)[C@H](N)CC 37172985 572103819 /nfs/dbraw/zinc/10/38/19/572103819.db2.gz RVAGRIXUGZQKME-GARJFASQSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C)CN(C)c1[nH+]cccc1N 37172823 572103846 /nfs/dbraw/zinc/10/38/46/572103846.db2.gz RCSJKEFQSOCLHG-VIFPVBQESA-N 1 1 193.294 2.146 10 0 AEAEMO CC[C@H](C)CN(C)[C@@H](C)[C@H]([NH3+])CC 37172985 572103822 /nfs/dbraw/zinc/10/38/22/572103822.db2.gz RVAGRIXUGZQKME-GARJFASQSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)[C@@](C)(CC)CN 37172742 572103914 /nfs/dbraw/zinc/10/39/14/572103914.db2.gz QRWGVZNXYGWYNV-MNOVXSKESA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)C1(CN)CCCC1 37172735 572104124 /nfs/dbraw/zinc/10/41/24/572104124.db2.gz SXFFNJBERKGQRC-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCC[C@H]1CC(C)=O 251939947 572105435 /nfs/dbraw/zinc/10/54/35/572105435.db2.gz SJNLJZJAZJESJY-KOLCDFICSA-N 1 1 183.295 2.228 10 0 AEAEMO CC[C@H]1CN[C@H](C)C[N@@H+]1CC=C(C)C 234048935 572106053 /nfs/dbraw/zinc/10/60/53/572106053.db2.gz KTKFBCYWQPJCRB-NEPJUHHUSA-N 1 1 196.338 2.025 10 0 AEAEMO CC[C@H]1CN[C@H](C)C[N@H+]1CC=C(C)C 234048935 572106055 /nfs/dbraw/zinc/10/60/55/572106055.db2.gz KTKFBCYWQPJCRB-NEPJUHHUSA-N 1 1 196.338 2.025 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC[C@H]1CC(C)=O 251939950 572106155 /nfs/dbraw/zinc/10/61/55/572106155.db2.gz SJNLJZJAZJESJY-ONGXEEELSA-N 1 1 183.295 2.228 10 0 AEAEMO CC[C@H](C)[C@@H](CN)[N@@H+](C)[C@@H](C)CC 37228190 572106369 /nfs/dbraw/zinc/10/63/69/572106369.db2.gz XJGAIXUFOVQGMW-GARJFASQSA-N 1 1 186.343 2.090 10 0 AEAEMO CCc1[nH+]ccn1C(C)C 34742331 572106462 /nfs/dbraw/zinc/10/64/62/572106462.db2.gz HFAJKGQCFGQDTQ-UHFFFAOYSA-N 1 1 138.214 2.026 10 0 AEAEMO CC[C@H](C)[C@H](CN)[N@@H+](C)[C@@H](C)CC 37228192 572106738 /nfs/dbraw/zinc/10/67/38/572106738.db2.gz XJGAIXUFOVQGMW-DCAQKATOSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C)[C@H](CN)[N@H+]1CCC[C@H](C)C1 37227970 572106988 /nfs/dbraw/zinc/10/69/88/572106988.db2.gz CNWHOQPQNJPISZ-SRVKXCTJSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)[C@@H](CN)[N@@H+](CC)C(C)C 37228168 572106998 /nfs/dbraw/zinc/10/69/98/572106998.db2.gz ZBRYSVIFHRQQSS-WDEREUQCSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C)[C@@H](CN)[N@H+]1CCCC[C@@H]1C 37227952 572108164 /nfs/dbraw/zinc/10/81/64/572108164.db2.gz SFAOYHRYDPXQSO-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[N@@H+](C)[C@H](CN)[C@@H](C)CC 37228056 572107028 /nfs/dbraw/zinc/10/70/28/572107028.db2.gz RBAQFSBRTJFAOU-WDEREUQCSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[N@@H+](CC)[C@H](CN)[C@@H](C)CC 37228178 572107088 /nfs/dbraw/zinc/10/70/88/572107088.db2.gz RHXQFYVIGARBRM-WDEREUQCSA-N 1 1 186.343 2.092 10 0 AEAEMO CS[C@H]1CCC[C@@H]1[NH2+]CC(F)F 235143016 572107094 /nfs/dbraw/zinc/10/70/94/572107094.db2.gz PBAZUWQOAZTHIV-BQBZGAKWSA-N 1 1 195.278 2.125 10 0 AEAEMO CCC[C@H](CNC)[N@@H+]1CCCC[C@H]1C 251126453 572107106 /nfs/dbraw/zinc/10/71/06/572107106.db2.gz IZVGIOCDDNDAHL-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H](CNC)[N@H+]1CCCC[C@H]1C 251126453 572107107 /nfs/dbraw/zinc/10/71/07/572107107.db2.gz IZVGIOCDDNDAHL-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](C)[C@@H](CN)[N@@H+](CC)C(C)C 37228167 572108143 /nfs/dbraw/zinc/10/81/43/572108143.db2.gz ZBRYSVIFHRQQSS-GHMZBOCLSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[C@@H](C[NH2+]CC)[N@H+]1CCC[C@H]1C 251127710 572107874 /nfs/dbraw/zinc/10/78/74/572107874.db2.gz JFCDDDIOEWQMGQ-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H](C[NH2+]CC)N1CCC[C@H]1C 251127710 572107880 /nfs/dbraw/zinc/10/78/80/572107880.db2.gz JFCDDDIOEWQMGQ-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)C(C)(C)C[N@@H+](CCO)C1CC1 713218157 572108152 /nfs/dbraw/zinc/10/81/52/572108152.db2.gz ODKGMEKSVOZSFO-UHFFFAOYSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[N@H+](C1CC1)[C@H](CN)[C@@H](C)CC 37228182 572107945 /nfs/dbraw/zinc/10/79/45/572107945.db2.gz XKQLWHYRTMAHSG-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]1C[C@@H]1C[N@@H+](C)CCCCCCO 235624046 572108370 /nfs/dbraw/zinc/10/83/70/572108370.db2.gz ISILIVGJNGUEMV-NWDGAFQWSA-N 1 1 199.338 2.127 10 0 AEAEMO CC[C@@H](C)[C@H](CN)[N@@H+](C)C1CCCC1 37228175 572108458 /nfs/dbraw/zinc/10/84/58/572108458.db2.gz WELJXCITFXFETK-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C)C1 37209318 572108611 /nfs/dbraw/zinc/10/86/11/572108611.db2.gz UNQANEPJGBBORS-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](C)[C@@H](CN)[N@@H+](C)C1CCCC1 37228173 572108671 /nfs/dbraw/zinc/10/86/71/572108671.db2.gz WELJXCITFXFETK-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[N@@H+]1CC=CCC1 34754696 572108678 /nfs/dbraw/zinc/10/86/78/572108678.db2.gz NUTSKRXOKJEZHQ-UHFFFAOYSA-N 1 1 139.242 2.048 10 0 AEAEMO CC[C@H](C)[C@H](CN)[N@@H+](C)C1CCCC1 37228176 572108995 /nfs/dbraw/zinc/10/89/95/572108995.db2.gz WELJXCITFXFETK-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]1CCC[N@H+]([C@@H](C)CC(C)=O)C1 82791849 572111157 /nfs/dbraw/zinc/11/11/57/572111157.db2.gz YBPGDSZHVDCRTJ-JQWIXIFHSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC[N@H+](C1CC1)[C@@H](CN)[C@@H](C)CC 37228181 572109050 /nfs/dbraw/zinc/10/90/50/572109050.db2.gz XKQLWHYRTMAHSG-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[NH2+][C@H](C)[C@H]1CCCN(C)C1 37209321 572109091 /nfs/dbraw/zinc/10/90/91/572109091.db2.gz UNQANEPJGBBORS-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[NH2+][C@@H](C)[C@H]1CCCN(C)C1 37209320 572109157 /nfs/dbraw/zinc/10/91/57/572109157.db2.gz UNQANEPJGBBORS-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C(=O)c1ccccc1)[NH+](C)C 37333573 572111159 /nfs/dbraw/zinc/11/11/59/572111159.db2.gz DMSXSNDLCZVILT-LLVKDONJSA-N 1 1 191.274 2.210 10 0 AEAEMO CCC[C@@H](CNC)[N@@H+]1CCCC[C@H]1C 251126449 572109619 /nfs/dbraw/zinc/10/96/19/572109619.db2.gz IZVGIOCDDNDAHL-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H](CNC)[N@H+]1CCCC[C@H]1C 251126449 572109624 /nfs/dbraw/zinc/10/96/24/572109624.db2.gz IZVGIOCDDNDAHL-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@@H+](CC)[C@H](C)CC(C)=O 82791766 572110526 /nfs/dbraw/zinc/11/05/26/572110526.db2.gz HWVRLLURDNSDIT-SECBINFHSA-N 1 1 171.284 2.086 10 0 AEAEMO CC[C@H](C)[C@@H](CN)[N@H+]1CCC[C@H](C)C1 37227968 572109728 /nfs/dbraw/zinc/10/97/28/572109728.db2.gz CNWHOQPQNJPISZ-SDDRHHMPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[N@@H+](CC)[C@@H](CN)[C@@H](C)CC 37228177 572109737 /nfs/dbraw/zinc/10/97/37/572109737.db2.gz RHXQFYVIGARBRM-QWRGUYRKSA-N 1 1 186.343 2.092 10 0 AEAEMO CCCC[N@@H+](C)[C@@H](CN)[C@@H](C)CC 37228055 572109928 /nfs/dbraw/zinc/10/99/28/572109928.db2.gz RBAQFSBRTJFAOU-QWRGUYRKSA-N 1 1 186.343 2.092 10 0 AEAEMO CCCC[NH2+][C@H](C)[C@@H]1CCCN(C)C1 37209319 572109990 /nfs/dbraw/zinc/10/99/90/572109990.db2.gz UNQANEPJGBBORS-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)[C@H](CN)[N@@H+](CC)C(C)C 37228170 572110015 /nfs/dbraw/zinc/11/00/15/572110015.db2.gz ZBRYSVIFHRQQSS-QWRGUYRKSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C)[C@@H](CN)[N@@H+](C)C1CCCC1 37228174 572110031 /nfs/dbraw/zinc/11/00/31/572110031.db2.gz WELJXCITFXFETK-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)[C@H](CN)[N@H+]1CCCC[C@@H]1C 37227954 572110068 /nfs/dbraw/zinc/11/00/68/572110068.db2.gz SFAOYHRYDPXQSO-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(=O)C[C@H](C)[N@@H+](C)C1CCCC1 82791760 572110332 /nfs/dbraw/zinc/11/03/32/572110332.db2.gz LITBPBSHQOKGDY-VIFPVBQESA-N 1 1 183.295 2.228 10 0 AEAEMO CCC[N@H+](C)CC(=O)c1cccs1 37335527 572110341 /nfs/dbraw/zinc/11/03/41/572110341.db2.gz DLKBMPIVBYVKAV-UHFFFAOYSA-N 1 1 197.303 2.273 10 0 AEAEMO CCC[N@@H+](C)CC(=O)c1cccs1 37335527 572110345 /nfs/dbraw/zinc/11/03/45/572110345.db2.gz DLKBMPIVBYVKAV-UHFFFAOYSA-N 1 1 197.303 2.273 10 0 AEAEMO CC(=O)CCC[N@@H+]1CCCC[C@@H]1C 37322570 572110359 /nfs/dbraw/zinc/11/03/59/572110359.db2.gz CRNQSUDJXQYTRL-JTQLQIEISA-N 1 1 183.295 2.230 10 0 AEAEMO CC(=O)C[C@H](C)[N@@H+](C)[C@@H](C)C1CC1 82791828 572110381 /nfs/dbraw/zinc/11/03/81/572110381.db2.gz ZQMSHTPUVHQHOF-WPRPVWTQSA-N 1 1 183.295 2.084 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@@H](C)CC(C)=O 82791894 572110404 /nfs/dbraw/zinc/11/04/04/572110404.db2.gz LWWHBCFSVKJETA-GXSJLCMTSA-N 1 1 183.295 2.228 10 0 AEAEMO CCC[N@@H+](CC)CC(=O)C(C)(C)C 37335000 572110409 /nfs/dbraw/zinc/11/04/09/572110409.db2.gz SCTWNWAXYCJFCY-UHFFFAOYSA-N 1 1 185.311 2.334 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@H]1CCCC1=O 37336281 572110431 /nfs/dbraw/zinc/11/04/31/572110431.db2.gz WLMADUDIHNIWEM-JTQLQIEISA-N 1 1 183.295 2.086 10 0 AEAEMO CCCC[N@@H+](CC)[C@@H]1CCCC1=O 37331574 572111102 /nfs/dbraw/zinc/11/11/02/572111102.db2.gz CPSMVJMEPYNGGD-SNVBAGLBSA-N 1 1 183.295 2.230 10 0 AEAEMO CC[C@H](C)NCC[NH2+]C1(C)CCCC1 82785777 572110502 /nfs/dbraw/zinc/11/05/02/572110502.db2.gz MBDGTTQYCWCZBR-NSHDSACASA-N 1 1 198.354 2.297 10 0 AEAEMO CC[C@H](C)[NH2+]CCNC1(C)CCCC1 82785777 572110509 /nfs/dbraw/zinc/11/05/09/572110509.db2.gz MBDGTTQYCWCZBR-NSHDSACASA-N 1 1 198.354 2.297 10 0 AEAEMO CC[C@H](C)[C@@H](N)C[NH2+]C1(C)CCCC1 82785853 572110514 /nfs/dbraw/zinc/11/05/14/572110514.db2.gz FKQKMYHPCYKJRC-QWRGUYRKSA-N 1 1 198.354 2.282 10 0 AEAEMO CCC[C@@](C)(N)C[NH2+]C1(C)CCCC1 82785839 572110537 /nfs/dbraw/zinc/11/05/37/572110537.db2.gz VEWLZZMXIZBMLB-LLVKDONJSA-N 1 1 198.354 2.426 10 0 AEAEMO CC[C@@H]1CCC[N@H+]([C@@H](C)CC(C)=O)C1 82791848 572110559 /nfs/dbraw/zinc/11/05/59/572110559.db2.gz YBPGDSZHVDCRTJ-CMPLNLGQSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC[N@H+](C1CC1)[C@H](C)CC(C)=O 82791776 572110562 /nfs/dbraw/zinc/11/05/62/572110562.db2.gz JBTHTWYYLRDOAJ-SECBINFHSA-N 1 1 183.295 2.228 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@H](C)CC(C)=O 82791839 572110605 /nfs/dbraw/zinc/11/06/05/572110605.db2.gz SIEVQOHDJHXQGU-SECBINFHSA-N 1 1 185.311 2.474 10 0 AEAEMO CCCC[N@@H+](C)[C@@H](C)CC(C)=O 82791649 572110638 /nfs/dbraw/zinc/11/06/38/572110638.db2.gz RVXXLMDHTKOGJL-VIFPVBQESA-N 1 1 171.284 2.086 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@@H](C)CC(C)=O 82791806 572110673 /nfs/dbraw/zinc/11/06/73/572110673.db2.gz ZKHJRHVZTMVQDP-UWVGGRQHSA-N 1 1 185.311 2.332 10 0 AEAEMO CC[N@@H+](C(C)C)[C@@H](C)CC(C)=O 82791751 572110687 /nfs/dbraw/zinc/11/06/87/572110687.db2.gz IWZVPSQPJGSTSC-VIFPVBQESA-N 1 1 171.284 2.084 10 0 AEAEMO CC(=O)C[C@H](C)[N@H+](C)[C@@H](C)C(C)C 82791835 572110691 /nfs/dbraw/zinc/11/06/91/572110691.db2.gz TUZXQHZFIOYNIM-ONGXEEELSA-N 1 1 185.311 2.330 10 0 AEAEMO CC[C@H](C)[C@H](N)C[NH2+]C1(C)CCCC1 82785851 572110704 /nfs/dbraw/zinc/11/07/04/572110704.db2.gz FKQKMYHPCYKJRC-WDEREUQCSA-N 1 1 198.354 2.282 10 0 AEAEMO CC[C@H]1CCC[N@H+]1[C@@H](C)CC(C)=O 82791896 572110710 /nfs/dbraw/zinc/11/07/10/572110710.db2.gz LWWHBCFSVKJETA-ONGXEEELSA-N 1 1 183.295 2.228 10 0 AEAEMO CCC[N@@H+](CC(=O)C(C)(C)C)C1CC1 37335385 572110736 /nfs/dbraw/zinc/11/07/36/572110736.db2.gz KQVKTSYEWGDBMI-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CCCC[C@H](N)C[NH2+]C1(C)CCCC1 82785898 572110738 /nfs/dbraw/zinc/11/07/38/572110738.db2.gz SZRNHMYYHYLEKB-NSHDSACASA-N 1 1 198.354 2.426 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@@H](C)C(C)=O 37335070 572111116 /nfs/dbraw/zinc/11/11/16/572111116.db2.gz ALNZYUBILFGAKD-VIFPVBQESA-N 1 1 171.284 2.084 10 0 AEAEMO CCC[N@H+](C1CC1)[C@@H](C)CC(C)=O 82791774 572110769 /nfs/dbraw/zinc/11/07/69/572110769.db2.gz JBTHTWYYLRDOAJ-VIFPVBQESA-N 1 1 183.295 2.228 10 0 AEAEMO CC[N@@H+](CC(=O)C(C)(C)C)C1CC1 37334137 572110784 /nfs/dbraw/zinc/11/07/84/572110784.db2.gz HDVHQEPEHAJXKL-UHFFFAOYSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@H](C)CC(C)=O 82791837 572110827 /nfs/dbraw/zinc/11/08/27/572110827.db2.gz SIEVQOHDJHXQGU-VIFPVBQESA-N 1 1 185.311 2.474 10 0 AEAEMO CCCCC[N@@H+](C)[C@@H](C)CC(C)=O 82791798 572110843 /nfs/dbraw/zinc/11/08/43/572110843.db2.gz OYSBMIKHXSRBSZ-JTQLQIEISA-N 1 1 185.311 2.476 10 0 AEAEMO CC1([NH2+]C[C@@](C)(N)C2CC2)CCCC1 82785855 572110869 /nfs/dbraw/zinc/11/08/69/572110869.db2.gz GGDGVCWLUDOLIA-GFCCVEGCSA-N 1 1 196.338 2.036 10 0 AEAEMO CCC[C@H](N)C[NH2+]C1(C)CCCC1 82785836 572111127 /nfs/dbraw/zinc/11/11/27/572111127.db2.gz ZPZGDSRDYYWVGK-JTQLQIEISA-N 1 1 184.327 2.036 10 0 AEAEMO CC[NH2+]CCNCCCC(C)(C)C 300942259 572110912 /nfs/dbraw/zinc/11/09/12/572110912.db2.gz WFQDQNHQMBDSJH-UHFFFAOYSA-N 1 1 186.343 2.012 10 0 AEAEMO CC(=O)C[C@H](C)[N@H+](C)[C@H](C)C(C)C 82791832 572110933 /nfs/dbraw/zinc/11/09/33/572110933.db2.gz TUZXQHZFIOYNIM-GXSJLCMTSA-N 1 1 185.311 2.330 10 0 AEAEMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)C(C)(C)C 37338919 572111174 /nfs/dbraw/zinc/11/11/74/572111174.db2.gz HYPZEZDUAPEMRV-VIFPVBQESA-N 1 1 197.322 2.332 10 0 AEAEMO CCCCC[N@@H+](C)[C@H](C)CC(C)=O 82791801 572110981 /nfs/dbraw/zinc/11/09/81/572110981.db2.gz OYSBMIKHXSRBSZ-SNVBAGLBSA-N 1 1 185.311 2.476 10 0 AEAEMO CC(=O)CCC[N@H+]1C[C@@H](C)C[C@@H](C)C1 37322474 572111138 /nfs/dbraw/zinc/11/11/38/572111138.db2.gz AFZMLIMRRHEPKT-PHIMTYICSA-N 1 1 197.322 2.334 10 0 AEAEMO CCC[N@@H+](CC)[C@@H](C)CC(C)=O 82791764 572111064 /nfs/dbraw/zinc/11/10/64/572111064.db2.gz HWVRLLURDNSDIT-VIFPVBQESA-N 1 1 171.284 2.086 10 0 AEAEMO CC[N@@H+](C(C)C)[C@H](C)CC(C)=O 82791753 572111410 /nfs/dbraw/zinc/11/14/10/572111410.db2.gz IWZVPSQPJGSTSC-SECBINFHSA-N 1 1 171.284 2.084 10 0 AEAEMO CCC[C@](C)(N)C[NH2+]C1(C)CCCC1 82785838 572111450 /nfs/dbraw/zinc/11/14/50/572111450.db2.gz VEWLZZMXIZBMLB-NSHDSACASA-N 1 1 198.354 2.426 10 0 AEAEMO CCC[N@@H+](C1CC1)[C@H]1CCCCC1=O 37335284 572111492 /nfs/dbraw/zinc/11/14/92/572111492.db2.gz COPRFECHASKAME-NSHDSACASA-N 1 1 195.306 2.373 10 0 AEAEMO CCCC[N@@H+](C)[C@H](C)CC(C)=O 82791652 572111534 /nfs/dbraw/zinc/11/15/34/572111534.db2.gz RVXXLMDHTKOGJL-SECBINFHSA-N 1 1 171.284 2.086 10 0 AEAEMO CCCC[C@@H](N)C[NH2+]C1(C)CCCC1 82785899 572111827 /nfs/dbraw/zinc/11/18/27/572111827.db2.gz SZRNHMYYHYLEKB-LLVKDONJSA-N 1 1 198.354 2.426 10 0 AEAEMO CC[C@@H](C)NCC[NH2+]C1(C)CCCC1 82785776 572111962 /nfs/dbraw/zinc/11/19/62/572111962.db2.gz MBDGTTQYCWCZBR-LLVKDONJSA-N 1 1 198.354 2.297 10 0 AEAEMO CC[C@@H](C)[NH2+]CCNC1(C)CCCC1 82785776 572111966 /nfs/dbraw/zinc/11/19/66/572111966.db2.gz MBDGTTQYCWCZBR-LLVKDONJSA-N 1 1 198.354 2.297 10 0 AEAEMO CCC[C@@H](N)C[NH2+]C1(C)CCCC1 82785837 572112025 /nfs/dbraw/zinc/11/20/25/572112025.db2.gz ZPZGDSRDYYWVGK-SNVBAGLBSA-N 1 1 184.327 2.036 10 0 AEAEMO CCCC[N@@H+](C)CCCCC(C)=O 37322378 572112079 /nfs/dbraw/zinc/11/20/79/572112079.db2.gz SHOFMAOGJLPCRS-UHFFFAOYSA-N 1 1 185.311 2.478 10 0 AEAEMO CC[C@H](C)[N@@H+](C)CC(=O)C(C)(C)C 37336146 572112087 /nfs/dbraw/zinc/11/20/87/572112087.db2.gz RJPRYGMJUVNZAI-VIFPVBQESA-N 1 1 185.311 2.332 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@H](C)CC(C)=O 82791771 572112092 /nfs/dbraw/zinc/11/20/92/572112092.db2.gz HMYQMODIDCPOLR-SNVBAGLBSA-N 1 1 185.311 2.474 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@H](C)CC(C)=O 82791842 572112107 /nfs/dbraw/zinc/11/21/07/572112107.db2.gz DOMYAOYLLDFKAG-UWVGGRQHSA-N 1 1 185.311 2.474 10 0 AEAEMO CC[N@H+](CC(=O)c1ccco1)C(C)C 37334476 572112121 /nfs/dbraw/zinc/11/21/21/572112121.db2.gz DXYGVJBJEBCDFK-UHFFFAOYSA-N 1 1 195.262 2.193 10 0 AEAEMO CC[N@@H+](CC(=O)c1ccco1)C(C)C 37334476 572112123 /nfs/dbraw/zinc/11/21/23/572112123.db2.gz DXYGVJBJEBCDFK-UHFFFAOYSA-N 1 1 195.262 2.193 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@H](C)CC(C)=O 82791787 572112153 /nfs/dbraw/zinc/11/21/53/572112153.db2.gz JERSRPZXFNODND-IUCAKERBSA-N 1 1 171.284 2.084 10 0 AEAEMO CCCCc1noc([C@H](C)[NH2+]CC)n1 82778132 572112165 /nfs/dbraw/zinc/11/21/65/572112165.db2.gz GBGVDMGAPQWIKH-QMMMGPOBSA-N 1 1 197.282 2.083 10 0 AEAEMO CC[C@@H](C)[N@H+](C)CC(=O)c1ccco1 37336050 572112204 /nfs/dbraw/zinc/11/22/04/572112204.db2.gz FSUYFHVRRFUZNK-SECBINFHSA-N 1 1 195.262 2.193 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)CC(=O)c1ccco1 37336050 572112206 /nfs/dbraw/zinc/11/22/06/572112206.db2.gz FSUYFHVRRFUZNK-SECBINFHSA-N 1 1 195.262 2.193 10 0 AEAEMO CC(=O)C[C@@H](C)[N@@H+](C)CC(C)(C)C 82792126 572112976 /nfs/dbraw/zinc/11/29/76/572112976.db2.gz DHZVIRFWHCOCBO-SECBINFHSA-N 1 1 185.311 2.332 10 0 AEAEMO CC[C@H](C)[N@H+](C)CC(=O)c1ccco1 37336052 572112249 /nfs/dbraw/zinc/11/22/49/572112249.db2.gz FSUYFHVRRFUZNK-VIFPVBQESA-N 1 1 195.262 2.193 10 0 AEAEMO CC[C@H](C)[N@@H+](C)CC(=O)c1ccco1 37336052 572112251 /nfs/dbraw/zinc/11/22/51/572112251.db2.gz FSUYFHVRRFUZNK-VIFPVBQESA-N 1 1 195.262 2.193 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)[C@@H](C)CC(C)=O 82791841 572112255 /nfs/dbraw/zinc/11/22/55/572112255.db2.gz DOMYAOYLLDFKAG-ZJUUUORDSA-N 1 1 185.311 2.474 10 0 AEAEMO CCCCC[N@@H+](C)[C@@H]1CCCC1=O 37336802 572112261 /nfs/dbraw/zinc/11/22/61/572112261.db2.gz CJPOQLXWEHXAGI-SNVBAGLBSA-N 1 1 183.295 2.230 10 0 AEAEMO CCCCC[N@@H+](C)[C@@H](C)C(C)=O 37336772 572112274 /nfs/dbraw/zinc/11/22/74/572112274.db2.gz KCOWFKDRRKTVKG-VIFPVBQESA-N 1 1 171.284 2.086 10 0 AEAEMO CC1([NH2+]C[C@](C)(N)C2CC2)CCCC1 82785854 572112278 /nfs/dbraw/zinc/11/22/78/572112278.db2.gz GGDGVCWLUDOLIA-LBPRGKRZSA-N 1 1 196.338 2.036 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)[C@@H](C)C(C)=O 37336462 572112283 /nfs/dbraw/zinc/11/22/83/572112283.db2.gz WCLIXXLYRUTQHF-BDAKNGLRSA-N 1 1 171.284 2.084 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)[C@@H](C)CC(C)=O 82791795 572112291 /nfs/dbraw/zinc/11/22/91/572112291.db2.gz FTTYOJHOVXFBMV-ZJUUUORDSA-N 1 1 185.311 2.474 10 0 AEAEMO CC[N@H+](C)CC(=O)c1ccc(C)cc1 37333820 572112324 /nfs/dbraw/zinc/11/23/24/572112324.db2.gz CMOJFNGDEDKYNY-UHFFFAOYSA-N 1 1 191.274 2.129 10 0 AEAEMO CC[N@@H+](C)CC(=O)c1ccc(C)cc1 37333820 572112326 /nfs/dbraw/zinc/11/23/26/572112326.db2.gz CMOJFNGDEDKYNY-UHFFFAOYSA-N 1 1 191.274 2.129 10 0 AEAEMO CCCC[N@@H+](C)[C@@H]1CCCCC1=O 37331390 572112338 /nfs/dbraw/zinc/11/23/38/572112338.db2.gz BIUGPHCTYZATHI-SNVBAGLBSA-N 1 1 183.295 2.230 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)[C@@H](C)CC(C)=O 82791803 572112339 /nfs/dbraw/zinc/11/23/39/572112339.db2.gz ZKHJRHVZTMVQDP-ZJUUUORDSA-N 1 1 185.311 2.332 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@@H](C)CC(C)=O 82791769 572112345 /nfs/dbraw/zinc/11/23/45/572112345.db2.gz HMYQMODIDCPOLR-JTQLQIEISA-N 1 1 185.311 2.474 10 0 AEAEMO CC[N@@H+](CC(=O)C(C)(C)C)C(C)C 37334523 572112352 /nfs/dbraw/zinc/11/23/52/572112352.db2.gz IIUWWNUAWWFFGX-UHFFFAOYSA-N 1 1 185.311 2.332 10 0 AEAEMO CC[C@@H](C)[C@H](N)C[NH2+]C1(C)CCCC1 82785850 572112357 /nfs/dbraw/zinc/11/23/57/572112357.db2.gz FKQKMYHPCYKJRC-GHMZBOCLSA-N 1 1 198.354 2.282 10 0 AEAEMO CCCCc1noc([C@@H](C)[NH2+]CC)n1 82778129 572112392 /nfs/dbraw/zinc/11/23/92/572112392.db2.gz GBGVDMGAPQWIKH-MRVPVSSYSA-N 1 1 197.282 2.083 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@@H]1CCCC1=O 37336279 572112455 /nfs/dbraw/zinc/11/24/55/572112455.db2.gz WLMADUDIHNIWEM-SNVBAGLBSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)CC(=O)C(C)(C)C 37336144 572112483 /nfs/dbraw/zinc/11/24/83/572112483.db2.gz RJPRYGMJUVNZAI-SECBINFHSA-N 1 1 185.311 2.332 10 0 AEAEMO CCCC[N@@H+](CC)[C@H]1CCCC1=O 37331576 572112498 /nfs/dbraw/zinc/11/24/98/572112498.db2.gz CPSMVJMEPYNGGD-JTQLQIEISA-N 1 1 183.295 2.230 10 0 AEAEMO CCCCC[N@@H+](C)[C@H]1CCCC1=O 37336804 572112525 /nfs/dbraw/zinc/11/25/25/572112525.db2.gz CJPOQLXWEHXAGI-JTQLQIEISA-N 1 1 183.295 2.230 10 0 AEAEMO C[N@@H+](CC(=O)C(C)(C)C)C1CCCC1 37334786 572112546 /nfs/dbraw/zinc/11/25/46/572112546.db2.gz RIKCMQBEKGTQMP-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CCCC[N@@H+](C)[C@H]1CCCCC1=O 37331392 572112565 /nfs/dbraw/zinc/11/25/65/572112565.db2.gz BIUGPHCTYZATHI-JTQLQIEISA-N 1 1 183.295 2.230 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@H](C)C(C)=O 37339120 572112574 /nfs/dbraw/zinc/11/25/74/572112574.db2.gz PKHFICMRZWYAGB-QMMMGPOBSA-N 1 1 171.284 2.084 10 0 AEAEMO CC[C@@H](C(=O)c1ccccc1)[NH+](C)C 37333571 572112601 /nfs/dbraw/zinc/11/26/01/572112601.db2.gz DMSXSNDLCZVILT-NSHDSACASA-N 1 1 191.274 2.210 10 0 AEAEMO CC[N@H+](C1CCCC1)[C@H](C)C(C)=O 37337451 572112682 /nfs/dbraw/zinc/11/26/82/572112682.db2.gz OENPSNIKSOBXOO-SECBINFHSA-N 1 1 183.295 2.228 10 0 AEAEMO C[C@H](C1CC1)[N@@H+](C)CC(=O)C(C)(C)C 37338920 572112704 /nfs/dbraw/zinc/11/27/04/572112704.db2.gz HYPZEZDUAPEMRV-SECBINFHSA-N 1 1 197.322 2.332 10 0 AEAEMO CC(C)C[N@H+](C)CC(=O)c1ccco1 37335750 572112792 /nfs/dbraw/zinc/11/27/92/572112792.db2.gz GXMWVAXSYWMVRP-UHFFFAOYSA-N 1 1 195.262 2.050 10 0 AEAEMO CC(C)C[N@@H+](C)CC(=O)c1ccco1 37335750 572112793 /nfs/dbraw/zinc/11/27/93/572112793.db2.gz GXMWVAXSYWMVRP-UHFFFAOYSA-N 1 1 195.262 2.050 10 0 AEAEMO CCC[N@@H+](CC1CC1)[C@@H](C)CC(C)=O 82791977 572112799 /nfs/dbraw/zinc/11/27/99/572112799.db2.gz XSUSKOUWHIMPRJ-JTQLQIEISA-N 1 1 197.322 2.476 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@H]1CCCC1=O 37335102 572112812 /nfs/dbraw/zinc/11/28/12/572112812.db2.gz IKLJHYRHDMPXBW-JTQLQIEISA-N 1 1 183.295 2.228 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@@H]1CCCCC1=O 37337011 572112820 /nfs/dbraw/zinc/11/28/20/572112820.db2.gz RYSFYLXQWJPCIB-WDEREUQCSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC[N@@H+](C1CC1)[C@@H]1CCCCC1=O 37335282 572112833 /nfs/dbraw/zinc/11/28/33/572112833.db2.gz COPRFECHASKAME-LLVKDONJSA-N 1 1 195.306 2.373 10 0 AEAEMO CCCc1[nH+]ccn1[C@H](C)CC(C)=O 82792972 572112841 /nfs/dbraw/zinc/11/28/41/572112841.db2.gz VUAOTKJKZZQCFI-SECBINFHSA-N 1 1 194.278 2.376 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@H](C)C(C)=O 37335072 572112844 /nfs/dbraw/zinc/11/28/44/572112844.db2.gz ALNZYUBILFGAKD-SECBINFHSA-N 1 1 171.284 2.084 10 0 AEAEMO CC[N@H+](C1CCCC1)[C@@H](C)C(C)=O 37337449 572112862 /nfs/dbraw/zinc/11/28/62/572112862.db2.gz OENPSNIKSOBXOO-VIFPVBQESA-N 1 1 183.295 2.228 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@@H](C)CC(C)=O 82792781 572112914 /nfs/dbraw/zinc/11/29/14/572112914.db2.gz IDCWTRYZYCRFIH-VIFPVBQESA-N 1 1 185.311 2.474 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@@H](C)C(C)=O 37336464 572112926 /nfs/dbraw/zinc/11/29/26/572112926.db2.gz WCLIXXLYRUTQHF-IUCAKERBSA-N 1 1 171.284 2.084 10 0 AEAEMO CC(=O)C[C@@H](C)[N@H+](C)CCC(C)C 82791936 572112938 /nfs/dbraw/zinc/11/29/38/572112938.db2.gz KNRZOMSBJSQSDD-SNVBAGLBSA-N 1 1 185.311 2.332 10 0 AEAEMO CCCCC[N@@H+](C)[C@H](C)C(C)=O 37336774 572113045 /nfs/dbraw/zinc/11/30/45/572113045.db2.gz KCOWFKDRRKTVKG-SECBINFHSA-N 1 1 171.284 2.086 10 0 AEAEMO CCN[C@@H](C)C[N@H+](C)C(C)(C)CC 69432483 572113167 /nfs/dbraw/zinc/11/31/67/572113167.db2.gz BNERPZRGMLETPE-JTQLQIEISA-N 1 1 186.343 2.105 10 0 AEAEMO CCN[C@@H](C)C[N@@H+](C)C(C)(C)CC 69432483 572113171 /nfs/dbraw/zinc/11/31/71/572113171.db2.gz BNERPZRGMLETPE-JTQLQIEISA-N 1 1 186.343 2.105 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)[C@@H]1CCCC1=O 37337025 572113268 /nfs/dbraw/zinc/11/32/68/572113268.db2.gz GFJHAZHZMJEDNP-NXEZZACHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@@H]1CCCCC1=O 37336265 572113277 /nfs/dbraw/zinc/11/32/77/572113277.db2.gz SXJGEEBLANXNGR-LLVKDONJSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[N@H+](C)CC(=O)c1cccc(C)c1 37333888 572113301 /nfs/dbraw/zinc/11/33/01/572113301.db2.gz RBZBLSUUGVLTIZ-UHFFFAOYSA-N 1 1 191.274 2.129 10 0 AEAEMO CC[N@@H+](C)CC(=O)c1cccc(C)c1 37333888 572113304 /nfs/dbraw/zinc/11/33/04/572113304.db2.gz RBZBLSUUGVLTIZ-UHFFFAOYSA-N 1 1 191.274 2.129 10 0 AEAEMO CC[N@H+](C)CC(=O)c1ccccc1C 37333882 572113319 /nfs/dbraw/zinc/11/33/19/572113319.db2.gz XSHNJUGZRGGEMZ-UHFFFAOYSA-N 1 1 191.274 2.129 10 0 AEAEMO CC[N@@H+](C)CC(=O)c1ccccc1C 37333882 572113322 /nfs/dbraw/zinc/11/33/22/572113322.db2.gz XSHNJUGZRGGEMZ-UHFFFAOYSA-N 1 1 191.274 2.129 10 0 AEAEMO CC(=O)C[C@H](C)[N@H+](C)CCC(C)C 82791934 572113326 /nfs/dbraw/zinc/11/33/26/572113326.db2.gz KNRZOMSBJSQSDD-JTQLQIEISA-N 1 1 185.311 2.332 10 0 AEAEMO CC(=O)C[C@@H](C)[N@@H+](C)CC1CCCC1 82792736 572113333 /nfs/dbraw/zinc/11/33/33/572113333.db2.gz DBOFFHWCPHSEKD-SNVBAGLBSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(=O)C[C@@H](C)[N@@H+](CC1CC1)C1CC1 82792830 572113361 /nfs/dbraw/zinc/11/33/61/572113361.db2.gz RRWVZIIUHHABLC-SECBINFHSA-N 1 1 195.306 2.228 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@@H]1CCCC1=O 37336516 572113374 /nfs/dbraw/zinc/11/33/74/572113374.db2.gz FYAHPZWGHUMOFP-VHSXEESVSA-N 1 1 183.295 2.228 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@@H]1CCCC1=O 37335100 572113425 /nfs/dbraw/zinc/11/34/25/572113425.db2.gz IKLJHYRHDMPXBW-SNVBAGLBSA-N 1 1 183.295 2.228 10 0 AEAEMO CC(=O)C[C@@H](C)[N@@H+](C)Cc1ccoc1 82792409 572113433 /nfs/dbraw/zinc/11/34/33/572113433.db2.gz MRVMZTDZMWUWTE-SECBINFHSA-N 1 1 195.262 2.079 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@H]1CCCCC1=O 37336267 572113568 /nfs/dbraw/zinc/11/35/68/572113568.db2.gz SXJGEEBLANXNGR-NSHDSACASA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@@H]1CCCC1=O 37337027 572113601 /nfs/dbraw/zinc/11/36/01/572113601.db2.gz GFJHAZHZMJEDNP-VHSXEESVSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[N@@H+](CC1CC1)[C@@H](C)CC(C)=O 82792777 572113648 /nfs/dbraw/zinc/11/36/48/572113648.db2.gz JNDGCRBPMLFKQN-VIFPVBQESA-N 1 1 183.295 2.086 10 0 AEAEMO CC(=O)C[C@H](C)[N@@H+](C)CC1CCCC1 82792734 572113710 /nfs/dbraw/zinc/11/37/10/572113710.db2.gz DBOFFHWCPHSEKD-JTQLQIEISA-N 1 1 197.322 2.476 10 0 AEAEMO CC(=O)C[C@@H](C)[N@H+](CC(C)C)C1CC1 82792048 572113782 /nfs/dbraw/zinc/11/37/82/572113782.db2.gz BHOOFVMIABIRCP-SNVBAGLBSA-N 1 1 197.322 2.474 10 0 AEAEMO CCC(CC)[N@@H+](C)CCCC(C)=O 37328799 572113883 /nfs/dbraw/zinc/11/38/83/572113883.db2.gz LJSBDRGRNMTFQB-UHFFFAOYSA-N 1 1 185.311 2.476 10 0 AEAEMO CC(=O)C[C@H](C)[N@H+](CC1CC1)C(C)C 82792062 572113969 /nfs/dbraw/zinc/11/39/69/572113969.db2.gz FLLBABKDOAGZOD-JTQLQIEISA-N 1 1 197.322 2.474 10 0 AEAEMO CC(=O)CCC[N@H+](C)[C@@H](C)C1CC1 37323570 572113985 /nfs/dbraw/zinc/11/39/85/572113985.db2.gz QDHJEFDHDCKEGK-JTQLQIEISA-N 1 1 183.295 2.086 10 0 AEAEMO CC(=O)CCC[N@H+](C)[C@H](C)C1CC1 37323572 572114015 /nfs/dbraw/zinc/11/40/15/572114015.db2.gz QDHJEFDHDCKEGK-SNVBAGLBSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(=O)C[C@H](C)[N@@H+](CC1CC1)C1CC1 82792828 572114104 /nfs/dbraw/zinc/11/41/04/572114104.db2.gz RRWVZIIUHHABLC-VIFPVBQESA-N 1 1 195.306 2.228 10 0 AEAEMO CC(=O)C[C@H](C)[N@@H+](C)CC(C)(C)C 82792124 572114108 /nfs/dbraw/zinc/11/41/08/572114108.db2.gz DHZVIRFWHCOCBO-VIFPVBQESA-N 1 1 185.311 2.332 10 0 AEAEMO CC(=O)C[C@@H](C)[N@H+](CC1CC1)C(C)C 82792064 572114162 /nfs/dbraw/zinc/11/41/62/572114162.db2.gz FLLBABKDOAGZOD-SNVBAGLBSA-N 1 1 197.322 2.474 10 0 AEAEMO CC(=O)CCCC[N@@H+]1CCC[C@@H](C)C1 37322630 572114173 /nfs/dbraw/zinc/11/41/73/572114173.db2.gz WFCUUDBCHUOHDU-LLVKDONJSA-N 1 1 197.322 2.478 10 0 AEAEMO CCC[N@@H+](CC)CCCCC(C)=O 37323056 572114342 /nfs/dbraw/zinc/11/43/42/572114342.db2.gz UCGGFAHDPKVKIA-UHFFFAOYSA-N 1 1 185.311 2.478 10 0 AEAEMO CC[C@@H]1CCC[N@@H+](CCCC(C)=O)C1 37328902 572114350 /nfs/dbraw/zinc/11/43/50/572114350.db2.gz MWQLIDAUGMFCHW-GFCCVEGCSA-N 1 1 197.322 2.478 10 0 AEAEMO CC(=O)CCC[N@@H+]1CCC[C@H](C)C1 37322636 572114375 /nfs/dbraw/zinc/11/43/75/572114375.db2.gz HUKPQOQJAPDMFI-JTQLQIEISA-N 1 1 183.295 2.088 10 0 AEAEMO CC(=O)CCCC[N@H+](C)[C@H](C)C1CC1 37323568 572114444 /nfs/dbraw/zinc/11/44/44/572114444.db2.gz GKMFNJCXUGWIAA-LLVKDONJSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@H](C)C(C)=O 37339121 572114453 /nfs/dbraw/zinc/11/44/53/572114453.db2.gz PKHFICMRZWYAGB-MRVPVSSYSA-N 1 1 171.284 2.084 10 0 AEAEMO CCC[N@@H+](CC1CC1)[C@H](C)CC(C)=O 82791980 572114500 /nfs/dbraw/zinc/11/45/00/572114500.db2.gz XSUSKOUWHIMPRJ-SNVBAGLBSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCC1=O 37339247 572114540 /nfs/dbraw/zinc/11/45/40/572114540.db2.gz GJWRIDQIIVNKAJ-NXEZZACHSA-N 1 1 183.295 2.228 10 0 AEAEMO CCC[N@@H+](CCCC(C)=O)C1CC1 37323110 572114681 /nfs/dbraw/zinc/11/46/81/572114681.db2.gz GXBHDZNZWDIHQB-UHFFFAOYSA-N 1 1 183.295 2.230 10 0 AEAEMO CC[C@@H](CN)[N@@H+](C)CC1(CC)CCC1 393339961 572115407 /nfs/dbraw/zinc/11/54/07/572115407.db2.gz WHVBQVQCJADEFD-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CC(=O)CCC[N@H+](C)[C@@H](C)C(C)C 37328771 572114851 /nfs/dbraw/zinc/11/48/51/572114851.db2.gz ZBFUYLSTMWKQEP-NSHDSACASA-N 1 1 185.311 2.332 10 0 AEAEMO CC(=O)CCCC[N@@H+]1CCC[C@H](C)C1 37322632 572115548 /nfs/dbraw/zinc/11/55/48/572115548.db2.gz WFCUUDBCHUOHDU-NSHDSACASA-N 1 1 197.322 2.478 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)CCCC(C)=O 37323203 572114992 /nfs/dbraw/zinc/11/49/92/572114992.db2.gz NSIGHNHIOGIZDH-SECBINFHSA-N 1 1 171.284 2.086 10 0 AEAEMO CCC[N@@H+](CCCC(C)=O)C(C)C 37323084 572115039 /nfs/dbraw/zinc/11/50/39/572115039.db2.gz HYKMBTBYCIKSHD-UHFFFAOYSA-N 1 1 185.311 2.476 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@H](C)CC(C)=O 82792783 572115052 /nfs/dbraw/zinc/11/50/52/572115052.db2.gz IDCWTRYZYCRFIH-SECBINFHSA-N 1 1 185.311 2.474 10 0 AEAEMO CC(=O)CCCC[N@H+](C)[C@@H](C)C1CC1 37323566 572115556 /nfs/dbraw/zinc/11/55/56/572115556.db2.gz GKMFNJCXUGWIAA-NSHDSACASA-N 1 1 197.322 2.476 10 0 AEAEMO CC[N@@H+](CC1CC1)[C@H](C)CC(C)=O 82792779 572115146 /nfs/dbraw/zinc/11/51/46/572115146.db2.gz JNDGCRBPMLFKQN-SECBINFHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(=O)CCC[N@H+](C)C1CCCC1 37323031 572115219 /nfs/dbraw/zinc/11/52/19/572115219.db2.gz QRUDRZLLTWMVDM-UHFFFAOYSA-N 1 1 183.295 2.230 10 0 AEAEMO CC(=O)CCCC[N@H+](C)C(C)C 37322698 572115364 /nfs/dbraw/zinc/11/53/64/572115364.db2.gz UNJGODWANFXCCL-UHFFFAOYSA-N 1 1 171.284 2.086 10 0 AEAEMO CC[C@@H](C[NH3+])N(C)CC1(CC)CCC1 393339961 572115409 /nfs/dbraw/zinc/11/54/09/572115409.db2.gz WHVBQVQCJADEFD-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H](C)[N@@H+](C)CCCC(C)=O 37323205 572115467 /nfs/dbraw/zinc/11/54/67/572115467.db2.gz NSIGHNHIOGIZDH-VIFPVBQESA-N 1 1 171.284 2.086 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@H]1CCCC1=O 37339248 572115509 /nfs/dbraw/zinc/11/55/09/572115509.db2.gz GJWRIDQIIVNKAJ-VHSXEESVSA-N 1 1 183.295 2.228 10 0 AEAEMO CC(=O)CCCC[N@H+](C)CC(C)C 37323160 572115631 /nfs/dbraw/zinc/11/56/31/572115631.db2.gz UNQXETLJOUSELK-UHFFFAOYSA-N 1 1 185.311 2.334 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)[C@@H](C)C(C)=O 37339221 572115637 /nfs/dbraw/zinc/11/56/37/572115637.db2.gz KLYUKBCGBGOJOT-BDAKNGLRSA-N 1 1 171.284 2.084 10 0 AEAEMO CCCCC[N@@H+](C)CCCC(C)=O 37323308 572116032 /nfs/dbraw/zinc/11/60/32/572116032.db2.gz FBANENPYROTSET-UHFFFAOYSA-N 1 1 185.311 2.478 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@H]1CCCC1=O 37339135 572116127 /nfs/dbraw/zinc/11/61/27/572116127.db2.gz QLYZVCKMVLNSGV-SNVBAGLBSA-N 1 1 183.295 2.228 10 0 AEAEMO CCC[N@@H+](C)CCCCC(C)=O 37323134 572115937 /nfs/dbraw/zinc/11/59/37/572115937.db2.gz QIEYINHYQDONBE-UHFFFAOYSA-N 1 1 171.284 2.088 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)CCCC(C)=O 37328837 572115964 /nfs/dbraw/zinc/11/59/64/572115964.db2.gz NALRRPJFOSKQMM-JTQLQIEISA-N 1 1 185.311 2.476 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@H]1CCCC1=O 37339136 572116018 /nfs/dbraw/zinc/11/60/18/572116018.db2.gz QLYZVCKMVLNSGV-JTQLQIEISA-N 1 1 183.295 2.228 10 0 AEAEMO CC[N@@H+](CCCC(C)=O)C(C)C 37322983 572116121 /nfs/dbraw/zinc/11/61/21/572116121.db2.gz JGLOYZOBKLIYTN-UHFFFAOYSA-N 1 1 171.284 2.086 10 0 AEAEMO CC[C@H](CN)[N@@H+](C)CC1(CC)CCC1 393339960 572116143 /nfs/dbraw/zinc/11/61/43/572116143.db2.gz WHVBQVQCJADEFD-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H](C[NH3+])N(C)CC1(CC)CCC1 393339960 572116145 /nfs/dbraw/zinc/11/61/45/572116145.db2.gz WHVBQVQCJADEFD-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(=O)CCC[N@@H+]1CCC[C@@H](C)C1 37322634 572116179 /nfs/dbraw/zinc/11/61/79/572116179.db2.gz HUKPQOQJAPDMFI-SNVBAGLBSA-N 1 1 183.295 2.088 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)CCCC(C)=O 37323278 572116184 /nfs/dbraw/zinc/11/61/84/572116184.db2.gz MPDZKTWGZGWDLZ-JTQLQIEISA-N 1 1 185.311 2.476 10 0 AEAEMO CCC[N@@H+](CC)CCCC(C)=O 37323058 572116240 /nfs/dbraw/zinc/11/62/40/572116240.db2.gz MNNWSRKEGIVHAO-UHFFFAOYSA-N 1 1 171.284 2.088 10 0 AEAEMO CC[N@@H+](CCCCC(C)=O)C(C)C 37322981 572116252 /nfs/dbraw/zinc/11/62/52/572116252.db2.gz ZMFBMIHIMYAXCY-UHFFFAOYSA-N 1 1 185.311 2.476 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)CCCC(C)=O 37323276 572116342 /nfs/dbraw/zinc/11/63/42/572116342.db2.gz MPDZKTWGZGWDLZ-SNVBAGLBSA-N 1 1 185.311 2.476 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@H](C)C(C)=O 37339222 572116384 /nfs/dbraw/zinc/11/63/84/572116384.db2.gz KLYUKBCGBGOJOT-IUCAKERBSA-N 1 1 171.284 2.084 10 0 AEAEMO CC[N@@H+](CCCC(C)=O)CC(C)C 37323235 572116469 /nfs/dbraw/zinc/11/64/69/572116469.db2.gz UKZVUONFYKHAPM-UHFFFAOYSA-N 1 1 185.311 2.334 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)CCCCC(C)=O 37323200 572116684 /nfs/dbraw/zinc/11/66/84/572116684.db2.gz IDYHLYKTAUDMJE-SNVBAGLBSA-N 1 1 185.311 2.476 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)CCCC(C)=O 37323352 572116803 /nfs/dbraw/zinc/11/68/03/572116803.db2.gz MEBTZVDNIHGRJR-JTQLQIEISA-N 1 1 185.311 2.334 10 0 AEAEMO CC[C@H]1CCC[N@@H+](CCCC(C)=O)C1 37328904 572116860 /nfs/dbraw/zinc/11/68/60/572116860.db2.gz MWQLIDAUGMFCHW-LBPRGKRZSA-N 1 1 197.322 2.478 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)CCCC(C)=O 37323350 572116885 /nfs/dbraw/zinc/11/68/85/572116885.db2.gz MEBTZVDNIHGRJR-SNVBAGLBSA-N 1 1 185.311 2.334 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1[C@@H](C)C(C)=O 35021046 572117613 /nfs/dbraw/zinc/11/76/13/572117613.db2.gz XZDKGTQSFSPGJW-ONGXEEELSA-N 1 1 183.295 2.228 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1[C@@H](C)C(C)=O 35021044 572119004 /nfs/dbraw/zinc/11/90/04/572119004.db2.gz XZDKGTQSFSPGJW-GXSJLCMTSA-N 1 1 183.295 2.228 10 0 AEAEMO CC(=O)C[C@H](C)[N@@H+](C)CC1CCC1 82802802 572120721 /nfs/dbraw/zinc/12/07/21/572120721.db2.gz XRLHUOSOWCQKJL-VIFPVBQESA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)(C)[N@@H+]1CCC(F)(F)C1 114379777 572121595 /nfs/dbraw/zinc/12/15/95/572121595.db2.gz GRABNJXPFNXIKH-UHFFFAOYSA-N 1 1 163.211 2.126 10 0 AEAEMO CC(C)(C)[N@H+]1CCC(F)(F)C1 114379777 572121598 /nfs/dbraw/zinc/12/15/98/572121598.db2.gz GRABNJXPFNXIKH-UHFFFAOYSA-N 1 1 163.211 2.126 10 0 AEAEMO CCCn1cc[nH+]c1[C@@H](C)C[C@H](C)O 82812163 572125431 /nfs/dbraw/zinc/12/54/31/572125431.db2.gz LSESBLDYTBCYJJ-UWVGGRQHSA-N 1 1 196.294 2.168 10 0 AEAEMO C[C@@H](C[C@@H](C)O)[N@@H+](C)C1CCCC1 82814838 572125435 /nfs/dbraw/zinc/12/54/35/572125435.db2.gz RJHKTQXVPMLALW-VHSXEESVSA-N 1 1 185.311 2.020 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@H](C)C[C@@H](C)O 82814899 572125440 /nfs/dbraw/zinc/12/54/40/572125440.db2.gz GGENAZNDMZSCCD-NXEZZACHSA-N 1 1 187.327 2.266 10 0 AEAEMO CCC[C@H](CC)[N@H+]1CCCC[C@H]1CN 300332713 572122905 /nfs/dbraw/zinc/12/29/05/572122905.db2.gz HQRSTODDZOBPGQ-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@H](C)C[C@@H](C)O 82814901 572125467 /nfs/dbraw/zinc/12/54/67/572125467.db2.gz NOMTVLJSQAFKOE-GARJFASQSA-N 1 1 187.327 2.266 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)[C@@H](C)C[C@@H](C)O 82814900 572125479 /nfs/dbraw/zinc/12/54/79/572125479.db2.gz NOMTVLJSQAFKOE-OUAUKWLOSA-N 1 1 187.327 2.266 10 0 AEAEMO CCCc1[nH+]ccn1[C@H](C)C[C@H](C)O 82815378 572125485 /nfs/dbraw/zinc/12/54/85/572125485.db2.gz KRIFTOQVPWNZIV-ZJUUUORDSA-N 1 1 196.294 2.168 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCNC[C@H]1CCC 300332741 572123464 /nfs/dbraw/zinc/12/34/64/572123464.db2.gz MHQYUBBYBHHQIV-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@H+](C1CC1)[C@H](C)C[C@@H](C)O 82814973 572125502 /nfs/dbraw/zinc/12/55/02/572125502.db2.gz WPGWOCZJDPFBGR-GHMZBOCLSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[C@@H](CC)[N@H+]1CCCC[C@H]1CN 300332712 572124017 /nfs/dbraw/zinc/12/40/17/572124017.db2.gz HQRSTODDZOBPGQ-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@H](C)[NH2+][C@@H]1CCCCC[C@H]1N 300343423 572124849 /nfs/dbraw/zinc/12/48/49/572124849.db2.gz APOPIXUWOHPGDT-QJPTWQEYSA-N 1 1 198.354 2.425 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)[C@@H](C)C[C@@H](C)O 82814856 572124702 /nfs/dbraw/zinc/12/47/02/572124702.db2.gz PJIMNQJTGNCZSO-OUAUKWLOSA-N 1 1 187.327 2.124 10 0 AEAEMO CCC[C@H](C)[NH2+][C@H]1CCCCC[C@H]1N 300343426 572124838 /nfs/dbraw/zinc/12/48/38/572124838.db2.gz APOPIXUWOHPGDT-TUAOUCFPSA-N 1 1 198.354 2.425 10 0 AEAEMO CCCCC[N@@H+](C)[C@H](C)C[C@@H](C)O 82814859 572124874 /nfs/dbraw/zinc/12/48/74/572124874.db2.gz NRYPKDHYSLBYLH-GHMZBOCLSA-N 1 1 187.327 2.268 10 0 AEAEMO CC[C@H]1CCC[N@H+]1[C@@H](C)C[C@@H](C)O 82814747 572124914 /nfs/dbraw/zinc/12/49/14/572124914.db2.gz KJZZBXCZLNOYNW-AXFHLTTASA-N 1 1 185.311 2.020 10 0 AEAEMO C[C@H](O)C[C@@H](C)[N@@H+](CC1CC1)C1CC1 82815288 572124922 /nfs/dbraw/zinc/12/49/22/572124922.db2.gz OULAAGDWLPWVAK-ZJUUUORDSA-N 1 1 197.322 2.020 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@@H](C)C[C@@H](C)O 82814828 572124931 /nfs/dbraw/zinc/12/49/31/572124931.db2.gz CSRPEUIHTJWZHB-WDEREUQCSA-N 1 1 187.327 2.266 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@H](C)C[C@@H](C)O 82814898 572124945 /nfs/dbraw/zinc/12/49/45/572124945.db2.gz GGENAZNDMZSCCD-VHSXEESVSA-N 1 1 187.327 2.266 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@H](O)[C@@H](CC)C1 300346864 572124954 /nfs/dbraw/zinc/12/49/54/572124954.db2.gz KBBUKSJOQQUEHT-SRVKXCTJSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@@H](C)C[C@@H](C)O 82814826 572124961 /nfs/dbraw/zinc/12/49/61/572124961.db2.gz QYKWLQOZRVLIFF-WDEREUQCSA-N 1 1 187.327 2.124 10 0 AEAEMO CCC[N@@H+](CC1CC1)[C@H](C)C[C@@H](C)O 82814979 572124968 /nfs/dbraw/zinc/12/49/68/572124968.db2.gz XQIJMAPWUISAEK-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[N@@H+](C)[C@@H]([C@@H](C)N)C(C)(C)C 43292175 572125008 /nfs/dbraw/zinc/12/50/08/572125008.db2.gz KFGKAAXDLZEQSH-ZJUUUORDSA-N 1 1 186.343 2.090 10 0 AEAEMO CCCN(C)[C@@H]([C@@H](C)[NH3+])C(C)(C)C 43292175 572125012 /nfs/dbraw/zinc/12/50/12/572125012.db2.gz KFGKAAXDLZEQSH-ZJUUUORDSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[C@H](C)N1CCC[C@H]1C[NH2+]CC 300344437 572125029 /nfs/dbraw/zinc/12/50/29/572125029.db2.gz CYWKGORLYNJFAW-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)c1[nH+]ccn1[C@@H](C)C[C@H](C)O 82815327 572125046 /nfs/dbraw/zinc/12/50/46/572125046.db2.gz XXMLEYVPUSRGLA-UWVGGRQHSA-N 1 1 196.294 2.338 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1[C@@H](C)C[C@@H](C)O 82814842 572125057 /nfs/dbraw/zinc/12/50/57/572125057.db2.gz HKVPWPUVYGQVLE-QJPTWQEYSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[N@H+](C1CC1)[C@H](C)C[C@@H](C)O 82814855 572125074 /nfs/dbraw/zinc/12/50/74/572125074.db2.gz CMHJCKBNCKDZSC-NXEZZACHSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)[C@@H](C)C[C@@H](C)O 82814850 572125092 /nfs/dbraw/zinc/12/50/92/572125092.db2.gz JOAXBFLSAITGET-OUAUKWLOSA-N 1 1 187.327 2.266 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCC(=O)[C@H](CC)C1 300346172 572125116 /nfs/dbraw/zinc/12/51/16/572125116.db2.gz HMFJCYTZATYMEN-WDEREUQCSA-N 1 1 197.322 2.476 10 0 AEAEMO C[C@H](O)C[C@H](C)[N@@H+](CC1CC1)C1CC1 82815287 572125119 /nfs/dbraw/zinc/12/51/19/572125119.db2.gz OULAAGDWLPWVAK-UWVGGRQHSA-N 1 1 197.322 2.020 10 0 AEAEMO CCC[C@@H](C)N1CCC[C@H]1C[NH2+]CC 300344436 572125136 /nfs/dbraw/zinc/12/51/36/572125136.db2.gz CYWKGORLYNJFAW-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)c1[nH+]ccn1[C@H](C)C[C@@H](C)O 82815326 572125162 /nfs/dbraw/zinc/12/51/62/572125162.db2.gz XXMLEYVPUSRGLA-NXEZZACHSA-N 1 1 196.294 2.338 10 0 AEAEMO CCCC[N@@H+](CC)[C@@H](C)C[C@@H](C)O 82814806 572125200 /nfs/dbraw/zinc/12/52/00/572125200.db2.gz CTUVVCIRPIGAFD-WDEREUQCSA-N 1 1 187.327 2.268 10 0 AEAEMO C[C@@H](O)C[C@@H](C)[N@@H+](CC1CC1)C1CC1 82815286 572125208 /nfs/dbraw/zinc/12/52/08/572125208.db2.gz OULAAGDWLPWVAK-NXEZZACHSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@H](O)C[C@@H](C)[N@@H+](C)C1CCCC1 82814841 572125216 /nfs/dbraw/zinc/12/52/16/572125216.db2.gz RJHKTQXVPMLALW-ZJUUUORDSA-N 1 1 185.311 2.020 10 0 AEAEMO CC(C)[N@H+](CC1CC1)[C@H](C)C[C@@H](C)O 82815057 572125242 /nfs/dbraw/zinc/12/52/42/572125242.db2.gz XUAWLHPYGOQOHQ-GHMZBOCLSA-N 1 1 199.338 2.266 10 0 AEAEMO C/C=C/C[N@H+]1C[C@H](C)NC[C@H]1CCC 300343604 572125406 /nfs/dbraw/zinc/12/54/06/572125406.db2.gz MSXJMEJKJXZYPC-SJCWFQRBSA-N 1 1 196.338 2.025 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@@H](C)C[C@@H](C)O 82814746 572125347 /nfs/dbraw/zinc/12/53/47/572125347.db2.gz KJZZBXCZLNOYNW-HBNTYKKESA-N 1 1 185.311 2.020 10 0 AEAEMO C[C@@H](C[C@@H](C)O)[N@@H+](CC1CC1)C1CC1 82815285 572125387 /nfs/dbraw/zinc/12/53/87/572125387.db2.gz OULAAGDWLPWVAK-VHSXEESVSA-N 1 1 197.322 2.020 10 0 AEAEMO C/C=C/C[N@@H+]1C[C@H](C)NC[C@H]1CCC 300343604 572125409 /nfs/dbraw/zinc/12/54/09/572125409.db2.gz MSXJMEJKJXZYPC-SJCWFQRBSA-N 1 1 196.338 2.025 10 0 AEAEMO C[C@@H](C[C@@H](C)O)[N@@H+](C)CC(C)(C)C 82815088 572125535 /nfs/dbraw/zinc/12/55/35/572125535.db2.gz SSECXHMIEWHMEP-VHSXEESVSA-N 1 1 187.327 2.124 10 0 AEAEMO C[C@@H](O)C[C@@H](C)[N@@H+](C)C1CCCCC1 82814791 572125558 /nfs/dbraw/zinc/12/55/58/572125558.db2.gz GXECKTJQUYJVJB-GHMZBOCLSA-N 1 1 199.338 2.410 10 0 AEAEMO C[C@H](O)C[C@@H](C)[N@@H+](C)CC(C)(C)C 82815091 572125580 /nfs/dbraw/zinc/12/55/80/572125580.db2.gz SSECXHMIEWHMEP-ZJUUUORDSA-N 1 1 187.327 2.124 10 0 AEAEMO C[C@H]([NH3+])[C@H](N1CCCCC1)C(C)(C)C 43291449 572125636 /nfs/dbraw/zinc/12/56/36/572125636.db2.gz BHLDAPXMBWYAHV-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1[C@@H](C)C[C@@H](C)O 82814843 572125673 /nfs/dbraw/zinc/12/56/73/572125673.db2.gz HKVPWPUVYGQVLE-TUAOUCFPSA-N 1 1 199.338 2.410 10 0 AEAEMO CC(C)CC[N@@H+](C)[C@H](C)C[C@@H](C)O 82815059 572125682 /nfs/dbraw/zinc/12/56/82/572125682.db2.gz POBFAYUXPXIQQE-GHMZBOCLSA-N 1 1 187.327 2.124 10 0 AEAEMO C[C@H]1CCCCC[N@@H+]1[C@@H](C)C[C@@H](C)O 82815274 572125709 /nfs/dbraw/zinc/12/57/09/572125709.db2.gz XCAMWDMKDHZUFF-SDDRHHMPSA-N 1 1 199.338 2.410 10 0 AEAEMO CC(C)c1[nH+]ccn1[C@@H](C)C[C@@H](C)O 82815325 572125791 /nfs/dbraw/zinc/12/57/91/572125791.db2.gz XXMLEYVPUSRGLA-VHSXEESVSA-N 1 1 196.294 2.338 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCC(=O)[C@H](CC)C1 300346171 572125799 /nfs/dbraw/zinc/12/57/99/572125799.db2.gz HMFJCYTZATYMEN-GHMZBOCLSA-N 1 1 197.322 2.476 10 0 AEAEMO C[C@@H](O)C[C@@H](C)[N@@H+](C)CC1CCCC1 82815226 572125804 /nfs/dbraw/zinc/12/58/04/572125804.db2.gz OTZDYWPNPPCBRL-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H](C[C@@H](C)O)[N@@H+](C)CC1CCCC1 82815225 572125815 /nfs/dbraw/zinc/12/58/15/572125815.db2.gz OTZDYWPNPPCBRL-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H](C[C@@H](C)O)[N@H+]1CCC[C@@H](C)CC1 82815223 572125819 /nfs/dbraw/zinc/12/58/19/572125819.db2.gz VZDZIBCNGRMZSS-GRYCIOLGSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCC[N@H+](C1CC1)[C@@H](C)C[C@@H](C)O 82814972 572125858 /nfs/dbraw/zinc/12/58/58/572125858.db2.gz WPGWOCZJDPFBGR-WDEREUQCSA-N 1 1 199.338 2.410 10 0 AEAEMO C[C@@H](O)C[C@@H](C)[N@@H+](C)CC(C)(C)C 82815089 572125885 /nfs/dbraw/zinc/12/58/85/572125885.db2.gz SSECXHMIEWHMEP-NXEZZACHSA-N 1 1 187.327 2.124 10 0 AEAEMO CC(C)C[N@H+](C1CC1)[C@@H](C)C[C@@H](C)O 82814986 572125892 /nfs/dbraw/zinc/12/58/92/572125892.db2.gz OYYQWWMLHLOGJK-WDEREUQCSA-N 1 1 199.338 2.266 10 0 AEAEMO CC[C@@H]1CCC[N@H+]([C@@H](C)C[C@@H](C)O)C1 82814888 572125940 /nfs/dbraw/zinc/12/59/40/572125940.db2.gz IRYHTYDXOFHFLF-QJPTWQEYSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)[C@@H](C)C[C@@H](C)O 82814902 572125955 /nfs/dbraw/zinc/12/59/55/572125955.db2.gz CLJKEYQUGLMKGS-HBNTYKKESA-N 1 1 187.327 2.122 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@H](C)[C@H](N)C1 69718264 572125977 /nfs/dbraw/zinc/12/59/77/572125977.db2.gz RODRBKFTTHQMOQ-SDDRHHMPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H](C)CN1CC[C@H](C)[C@H]([NH3+])C1 69718264 572125980 /nfs/dbraw/zinc/12/59/80/572125980.db2.gz RODRBKFTTHQMOQ-SDDRHHMPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[N@@H+](CC)[C@H](C)C[C@@H](C)O 82814807 572126018 /nfs/dbraw/zinc/12/60/18/572126018.db2.gz CTUVVCIRPIGAFD-GHMZBOCLSA-N 1 1 187.327 2.268 10 0 AEAEMO CCCc1[nH+]ccn1[C@@H](C)C[C@@H](C)O 82815375 572126034 /nfs/dbraw/zinc/12/60/34/572126034.db2.gz KRIFTOQVPWNZIV-VHSXEESVSA-N 1 1 196.294 2.168 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@@H](O)[C@H](CC)C1 300346863 572126068 /nfs/dbraw/zinc/12/60/68/572126068.db2.gz KBBUKSJOQQUEHT-QJPTWQEYSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@H+](C1CCCC1)[C@@H](C)C[C@@H](C)O 82814864 572126075 /nfs/dbraw/zinc/12/60/75/572126075.db2.gz CBGMFJYCYRWERV-WDEREUQCSA-N 1 1 199.338 2.410 10 0 AEAEMO C[C@H](O)C[C@@H](C)[N@@H+](C)C1CCCCC1 82814793 572126130 /nfs/dbraw/zinc/12/61/30/572126130.db2.gz GXECKTJQUYJVJB-MNOVXSKESA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[C@@H](C)[C@H]([NH3+])C(C)(C)N(C)C 300344359 572126139 /nfs/dbraw/zinc/12/61/39/572126139.db2.gz QFLHOQWSQIHKTE-ZJUUUORDSA-N 1 1 186.343 2.090 10 0 AEAEMO C[C@H]1CCCC[N@@H+]1[C@@H](C)C[C@@H](C)O 82814768 572126168 /nfs/dbraw/zinc/12/61/68/572126168.db2.gz JNONPYWGXUDCFN-GARJFASQSA-N 1 1 185.311 2.020 10 0 AEAEMO CC(C)[N@H+](CC1CC1)[C@@H](C)C[C@@H](C)O 82815056 572126242 /nfs/dbraw/zinc/12/62/42/572126242.db2.gz XUAWLHPYGOQOHQ-WDEREUQCSA-N 1 1 199.338 2.266 10 0 AEAEMO CCC(CC)C[N@H+]1CC[C@H](C)[C@H](N)C1 69718305 572126275 /nfs/dbraw/zinc/12/62/75/572126275.db2.gz ILDMEMBJJAQSJR-CMPLNLGQSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(CC)CN1CC[C@H](C)[C@H]([NH3+])C1 69718305 572126279 /nfs/dbraw/zinc/12/62/79/572126279.db2.gz ILDMEMBJJAQSJR-CMPLNLGQSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[N@@H+](CC1CC1)[C@@H](C)C[C@@H](C)O 82814978 572126306 /nfs/dbraw/zinc/12/63/06/572126306.db2.gz XQIJMAPWUISAEK-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)CC[N@@H+](C)[C@@H](C)C[C@@H](C)O 82815058 572126342 /nfs/dbraw/zinc/12/63/42/572126342.db2.gz POBFAYUXPXIQQE-WDEREUQCSA-N 1 1 187.327 2.124 10 0 AEAEMO CCCc1[nH+]ccn1[C@@H](C)C[C@H](C)O 82815377 572126373 /nfs/dbraw/zinc/12/63/73/572126373.db2.gz KRIFTOQVPWNZIV-UWVGGRQHSA-N 1 1 196.294 2.168 10 0 AEAEMO CCCCC[N@@H+](C)[C@@H](C)C[C@@H](C)O 82814858 572126384 /nfs/dbraw/zinc/12/63/84/572126384.db2.gz NRYPKDHYSLBYLH-WDEREUQCSA-N 1 1 187.327 2.268 10 0 AEAEMO CCCn1cc[nH+]c1[C@H](C)C[C@@H](C)O 82812159 572126427 /nfs/dbraw/zinc/12/64/27/572126427.db2.gz LSESBLDYTBCYJJ-NXEZZACHSA-N 1 1 196.294 2.168 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@H](C)C[C@@H](C)O 82814827 572126494 /nfs/dbraw/zinc/12/64/94/572126494.db2.gz QYKWLQOZRVLIFF-GHMZBOCLSA-N 1 1 187.327 2.124 10 0 AEAEMO C[C@@H](O)C[C@@H](C)[N@@H+](C)C1CCCC1 82814839 572126535 /nfs/dbraw/zinc/12/65/35/572126535.db2.gz RJHKTQXVPMLALW-NXEZZACHSA-N 1 1 185.311 2.020 10 0 AEAEMO CC(C)C[N@H+](C1CC1)[C@H](C)C[C@@H](C)O 82814987 572126551 /nfs/dbraw/zinc/12/65/51/572126551.db2.gz OYYQWWMLHLOGJK-GHMZBOCLSA-N 1 1 199.338 2.266 10 0 AEAEMO CC[N@H+](C1CCCC1)[C@H](C)C[C@@H](C)O 82814865 572126568 /nfs/dbraw/zinc/12/65/68/572126568.db2.gz CBGMFJYCYRWERV-GHMZBOCLSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@H](C)C[C@@H](C)O 82814829 572126605 /nfs/dbraw/zinc/12/66/05/572126605.db2.gz CSRPEUIHTJWZHB-GHMZBOCLSA-N 1 1 187.327 2.266 10 0 AEAEMO C[C@@H](C[C@@H](C)O)[N@@H+](C)C1CCCCC1 82814790 572126677 /nfs/dbraw/zinc/12/66/77/572126677.db2.gz GXECKTJQUYJVJB-WDEREUQCSA-N 1 1 199.338 2.410 10 0 AEAEMO CC(C)c1[nH+]ccn1[C@H](C)C[C@H](C)O 82815328 572126740 /nfs/dbraw/zinc/12/67/40/572126740.db2.gz XXMLEYVPUSRGLA-ZJUUUORDSA-N 1 1 196.294 2.338 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@H](C)C[C@@H](C)O 82815264 572126754 /nfs/dbraw/zinc/12/67/54/572126754.db2.gz SFCUWRMACNVVCM-NXEZZACHSA-N 1 1 187.327 2.266 10 0 AEAEMO C[C@H](O)C[C@H](C)[N@@H+](C)CC(C)(C)C 82815090 572126771 /nfs/dbraw/zinc/12/67/71/572126771.db2.gz SSECXHMIEWHMEP-UWVGGRQHSA-N 1 1 187.327 2.124 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)[C@@H](C)C[C@@H](C)O 82814903 572126781 /nfs/dbraw/zinc/12/67/81/572126781.db2.gz CLJKEYQUGLMKGS-AXFHLTTASA-N 1 1 187.327 2.122 10 0 AEAEMO C[C@H](O)C[C@H](C)[N@@H+](C)C1CCCCC1 82814792 572126790 /nfs/dbraw/zinc/12/67/90/572126790.db2.gz GXECKTJQUYJVJB-QWRGUYRKSA-N 1 1 199.338 2.410 10 0 AEAEMO C[C@H](O)C[C@H](C)[N@@H+](C)C1CCCC1 82814840 572126806 /nfs/dbraw/zinc/12/68/06/572126806.db2.gz RJHKTQXVPMLALW-UWVGGRQHSA-N 1 1 185.311 2.020 10 0 AEAEMO C[C@H](O)C[C@H](C)[N@@H+](C)CC1CCCC1 82815227 572126826 /nfs/dbraw/zinc/12/68/26/572126826.db2.gz OTZDYWPNPPCBRL-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@@H](C)C[C@@H](C)O 82814857 572126887 /nfs/dbraw/zinc/12/68/87/572126887.db2.gz PJIMNQJTGNCZSO-GARJFASQSA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@H]1CCC[N@H+]([C@@H](C)C[C@@H](C)O)C1 82814889 572126902 /nfs/dbraw/zinc/12/69/02/572126902.db2.gz IRYHTYDXOFHFLF-TUAOUCFPSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H]([NH3+])[C@@H](N1CCCCC1)C(C)(C)C 43291452 572126911 /nfs/dbraw/zinc/12/69/11/572126911.db2.gz BHLDAPXMBWYAHV-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCn1cc[nH+]c1[C@H](C)C[C@H](C)O 82812165 572126968 /nfs/dbraw/zinc/12/69/68/572126968.db2.gz LSESBLDYTBCYJJ-ZJUUUORDSA-N 1 1 196.294 2.168 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@@H](C)C[C@@H](C)O 82815263 572126995 /nfs/dbraw/zinc/12/69/95/572126995.db2.gz SFCUWRMACNVVCM-VHSXEESVSA-N 1 1 187.327 2.266 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@@H](C)C[C@@H](C)O 82814851 572127018 /nfs/dbraw/zinc/12/70/18/572127018.db2.gz JOAXBFLSAITGET-GARJFASQSA-N 1 1 187.327 2.266 10 0 AEAEMO CCC[N@H+](C1CC1)[C@@H](C)C[C@@H](C)O 82814854 572127038 /nfs/dbraw/zinc/12/70/38/572127038.db2.gz CMHJCKBNCKDZSC-VHSXEESVSA-N 1 1 185.311 2.020 10 0 AEAEMO CCCc1[nH+]ccn1[C@H](C)C[C@@H](C)O 82815376 572127050 /nfs/dbraw/zinc/12/70/50/572127050.db2.gz KRIFTOQVPWNZIV-NXEZZACHSA-N 1 1 196.294 2.168 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCC[C@H]1CCCO 300347300 572127121 /nfs/dbraw/zinc/12/71/21/572127121.db2.gz KZHIIUAOLPMISM-RYUDHWBXSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC(CC)C[N@H+]1CC[C@@H](C)[C@H](N)C1 69718308 572127142 /nfs/dbraw/zinc/12/71/42/572127142.db2.gz ILDMEMBJJAQSJR-ZYHUDNBSSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(CC)CN1CC[C@@H](C)[C@H]([NH3+])C1 69718308 572127144 /nfs/dbraw/zinc/12/71/44/572127144.db2.gz ILDMEMBJJAQSJR-ZYHUDNBSSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCn1cc[nH+]c1[C@@H](C)C[C@@H](C)O 82812158 572126980 /nfs/dbraw/zinc/12/69/80/572126980.db2.gz LSESBLDYTBCYJJ-VHSXEESVSA-N 1 1 196.294 2.168 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCC[C@H]1CCCO 300347299 572127220 /nfs/dbraw/zinc/12/72/20/572127220.db2.gz KZHIIUAOLPMISM-NEPJUHHUSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCCCC[C@H]1CN 300349127 572127510 /nfs/dbraw/zinc/12/75/10/572127510.db2.gz QEHYKURGEPONDY-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@@H](C)[C@@]1(O)CC[N@H+](C2CC2)C1 300347677 572127518 /nfs/dbraw/zinc/12/75/18/572127518.db2.gz MCLRNJOIMUSIHQ-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCC[C@H](C(C)=O)C1 300347965 572127668 /nfs/dbraw/zinc/12/76/68/572127668.db2.gz MPBDKEHVEDXNCX-JQWIXIFHSA-N 1 1 197.322 2.476 10 0 AEAEMO CCCC[C@H](CC)C[NH2+]C[C@@H](C)N 300339319 572128495 /nfs/dbraw/zinc/12/84/95/572128495.db2.gz CJYXUTQBTZUKFF-MNOVXSKESA-N 1 1 186.343 2.140 10 0 AEAEMO CCCC[C@H](CC)C[NH2+]CC1(N)CC1 300339982 572128658 /nfs/dbraw/zinc/12/86/58/572128658.db2.gz VCOFCYQTQAOLQE-NSHDSACASA-N 1 1 198.354 2.284 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCNC[C@]1(C)CC 300347542 572128695 /nfs/dbraw/zinc/12/86/95/572128695.db2.gz LIXYYAJGKJMQMF-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCCCC[C@H]1CN 300349126 572128791 /nfs/dbraw/zinc/12/87/91/572128791.db2.gz QEHYKURGEPONDY-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCNC[C@]1(C)CC 300347340 572129254 /nfs/dbraw/zinc/12/92/54/572129254.db2.gz LIXYYAJGKJMQMF-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCc1ccc(CC(=[NH2+])OC)cc1 71497288 572129577 /nfs/dbraw/zinc/12/95/77/572129577.db2.gz UMAPLWQYOOYCHG-UHFFFAOYSA-N 1 1 177.247 2.415 10 0 AEAEMO CC[N@@H+](C)C1(CN)C[C@@H](C)C[C@@H](C)C1 82830849 572129927 /nfs/dbraw/zinc/12/99/27/572129927.db2.gz TYSNEAQUUIXKGI-FOSCPWQOSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H](C1CC1)[N@@H+](C)[C@@H]1CCCC[C@@H]1O 37492092 572130082 /nfs/dbraw/zinc/13/00/82/572130082.db2.gz SIAMZLJDBASTPW-WCQGTBRESA-N 1 1 197.322 2.020 10 0 AEAEMO CCC[N@@H+](C1CCNCC1)[C@H](C)CC 37469618 572130106 /nfs/dbraw/zinc/13/01/06/572130106.db2.gz OPMOSGWYGNJVQU-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@H+](C1CCNCC1)[C@H](C)CC 37469618 572130109 /nfs/dbraw/zinc/13/01/09/572130109.db2.gz OPMOSGWYGNJVQU-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](CC1CC1)[NH2+]Cc1ccn[nH]1 69671003 572130600 /nfs/dbraw/zinc/13/06/00/572130600.db2.gz LHYNCFHLINDTHY-SNVBAGLBSA-N 1 1 193.294 2.078 10 0 AEAEMO CC[C@@H](CC1CC1)[NH2+]Cc1c[nH]cn1 69672131 572130812 /nfs/dbraw/zinc/13/08/12/572130812.db2.gz KKVOZAOWUMXLPR-JTQLQIEISA-N 1 1 193.294 2.078 10 0 AEAEMO CC[C@@H](CC1CC1)[NH2+]Cc1ccn[nH]1 69671001 572130826 /nfs/dbraw/zinc/13/08/26/572130826.db2.gz LHYNCFHLINDTHY-JTQLQIEISA-N 1 1 193.294 2.078 10 0 AEAEMO CCC[C@H](CC)[N@H+]1C[C@@H](C)C[C@H](N)C1 300353581 572130854 /nfs/dbraw/zinc/13/08/54/572130854.db2.gz YBWPKTYHAKJJEN-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](CC)[N@H+]1CC[C@@H](C)[C@H](N)C1 300353126 572131021 /nfs/dbraw/zinc/13/10/21/572131021.db2.gz UKSIFVUISRNLGK-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](CC)N1CC[C@@H](C)[C@H]([NH3+])C1 300353126 572131024 /nfs/dbraw/zinc/13/10/24/572131024.db2.gz UKSIFVUISRNLGK-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](CC1CC1)[NH2+]Cc1c[nH]cn1 69672133 572131032 /nfs/dbraw/zinc/13/10/32/572131032.db2.gz KKVOZAOWUMXLPR-SNVBAGLBSA-N 1 1 193.294 2.078 10 0 AEAEMO CCC[C@H](CC)[N@H+]1C[C@H](C)C[C@@H](N)C1 300353582 572131070 /nfs/dbraw/zinc/13/10/70/572131070.db2.gz YBWPKTYHAKJJEN-UTUOFQBUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](CCN)C1C[C@@H](C)C[C@H](C)C1 82832674 572131110 /nfs/dbraw/zinc/13/11/10/572131110.db2.gz OXQSERRLGCQZTI-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@@](CC)(CN)[N@H+]1CC[C@H](C)C1 300353182 572130987 /nfs/dbraw/zinc/13/09/87/572130987.db2.gz UVYZOHRRNZEWJX-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H](CC)[N@H+]1CC[C@H](C)[C@H](N)C1 300353127 572131499 /nfs/dbraw/zinc/13/14/99/572131499.db2.gz UKSIFVUISRNLGK-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](CC)N1CC[C@H](C)[C@H]([NH3+])C1 300353127 572131501 /nfs/dbraw/zinc/13/15/01/572131501.db2.gz UKSIFVUISRNLGK-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](CC)[N@@H+]1C[C@@H](N)C[C@@H](C)C1 300353583 572131576 /nfs/dbraw/zinc/13/15/76/572131576.db2.gz YBWPKTYHAKJJEN-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](CCN)C1C[C@@H](C)C[C@@H](C)C1 82832673 572131616 /nfs/dbraw/zinc/13/16/16/572131616.db2.gz OXQSERRLGCQZTI-FOSCPWQOSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[N@@H+](C1CCNCC1)[C@@H](C)CC 37469617 572131702 /nfs/dbraw/zinc/13/17/02/572131702.db2.gz OPMOSGWYGNJVQU-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@H+](C1CCNCC1)[C@@H](C)CC 37469617 572131706 /nfs/dbraw/zinc/13/17/06/572131706.db2.gz OPMOSGWYGNJVQU-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO C[C@@H]1CC([N@H+](C)C[C@@H](C)N)C[C@H](C)C1 82833865 572131976 /nfs/dbraw/zinc/13/19/76/572131976.db2.gz NEXXKNXVBQJEHS-FBTJUVTCSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@@H]1CC(N(C)C[C@@H](C)[NH3+])C[C@H](C)C1 82833865 572131979 /nfs/dbraw/zinc/13/19/79/572131979.db2.gz NEXXKNXVBQJEHS-FBTJUVTCSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@@H]1CC([N@H+](C)C[C@@H](C)O)C[C@H](C)C1 82833685 572132183 /nfs/dbraw/zinc/13/21/83/572132183.db2.gz BRJQWGDFQDHTKT-FBTJUVTCSA-N 1 1 199.338 2.124 10 0 AEAEMO CC[N@@H+](CCO)C1C[C@@H](C)C[C@@H](C)C1 82833670 572132215 /nfs/dbraw/zinc/13/22/15/572132215.db2.gz YHTSCJINCQXDPS-FOSCPWQOSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@](CC)(CN)[N@H+]1CC[C@H](C)C1 300353181 572132370 /nfs/dbraw/zinc/13/23/70/572132370.db2.gz UVYZOHRRNZEWJX-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[N@@H+](CCO)C1C[C@@H](C)C[C@H](C)C1 82833671 572132489 /nfs/dbraw/zinc/13/24/89/572132489.db2.gz YHTSCJINCQXDPS-QWRGUYRKSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCCC[C@H]1CCO 300350279 572135094 /nfs/dbraw/zinc/13/50/94/572135094.db2.gz UTGQSUQQIGOQLS-RYUDHWBXSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC[C@@H](CC)[N@H+](C)[C@H]1CCCNC1 300352004 572135585 /nfs/dbraw/zinc/13/55/85/572135585.db2.gz GQSQLBXEORGUHV-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCCC[C@H]1CO 300350945 572136617 /nfs/dbraw/zinc/13/66/17/572136617.db2.gz ZCCHAZKDFXGRJP-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO C[C@@H]1CC([N@@H+]2CCC(=O)C2)C[C@H](C)C1 82835146 572133905 /nfs/dbraw/zinc/13/39/05/572133905.db2.gz UUWLPZIIDDHDAD-ZACCUICWSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@@H]1CC([N@H+]2CCC(=O)C2)C[C@H](C)C1 82835146 572133906 /nfs/dbraw/zinc/13/39/06/572133906.db2.gz UUWLPZIIDDHDAD-ZACCUICWSA-N 1 1 195.306 2.086 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCCC[C@H]1CCO 300350278 572134004 /nfs/dbraw/zinc/13/40/04/572134004.db2.gz UTGQSUQQIGOQLS-NEPJUHHUSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC(CC)[N@H+]1[C@H](C)CCC[C@@H]1CN 69721499 572134886 /nfs/dbraw/zinc/13/48/86/572134886.db2.gz VXLOEWNGFXULQS-ZYHUDNBSSA-N 1 1 198.354 2.377 10 0 AEAEMO CCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1N 300349819 572134967 /nfs/dbraw/zinc/13/49/67/572134967.db2.gz SABYDEHSJUXNBC-AXFHLTTASA-N 1 1 184.327 2.035 10 0 AEAEMO CC[C@@H]([NH3+])c1nnc([C@@H](C)C(C)C)o1 69691323 572135226 /nfs/dbraw/zinc/13/52/26/572135226.db2.gz IYLUOXZZQAPABB-JGVFFNPUSA-N 1 1 197.282 2.239 10 0 AEAEMO CCC(CC)[N@H+]1[C@@H](C)CCC[C@@H]1CN 69721501 572135270 /nfs/dbraw/zinc/13/52/70/572135270.db2.gz VXLOEWNGFXULQS-CMPLNLGQSA-N 1 1 198.354 2.377 10 0 AEAEMO CCC[C@H](C)[N@H+]1[C@H](C)CCC[C@@H]1CN 69721531 572135320 /nfs/dbraw/zinc/13/53/20/572135320.db2.gz QXNDWIXKJPZMPT-QJPTWQEYSA-N 1 1 198.354 2.377 10 0 AEAEMO C[NH2+][C@H](C)c1nnc([C@@H](C)C(C)C)o1 69691264 572135505 /nfs/dbraw/zinc/13/55/05/572135505.db2.gz DCLNTEHSVVVVHH-JGVFFNPUSA-N 1 1 197.282 2.110 10 0 AEAEMO CCC[C@@H](CC)[N@@H+](C)[C@H]1CCCNC1 300352004 572135589 /nfs/dbraw/zinc/13/55/89/572135589.db2.gz GQSQLBXEORGUHV-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)[N@H+]1CCC[C@H](C)[C@@H]1CN 69725963 572137562 /nfs/dbraw/zinc/13/75/62/572137562.db2.gz UVDJPMGHTQFBJG-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@](CC)(CN)[N@H+]1CCC[C@H]1C 300351742 572135927 /nfs/dbraw/zinc/13/59/27/572135927.db2.gz DEPASYQNKRCTTI-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@H](CC)[N@H+](C)[C@H]1CCCNC1 300352005 572136029 /nfs/dbraw/zinc/13/60/29/572136029.db2.gz GQSQLBXEORGUHV-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H](CC)[N@@H+](C)[C@H]1CCCNC1 300352005 572136031 /nfs/dbraw/zinc/13/60/31/572136031.db2.gz GQSQLBXEORGUHV-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@](CC)(CN)[N@H+]1CCC[C@H]1C 300351743 572136041 /nfs/dbraw/zinc/13/60/41/572136041.db2.gz DEPASYQNKRCTTI-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@H]([NH3+])c1nnc([C@H](C)C(C)C)o1 69691325 572136102 /nfs/dbraw/zinc/13/61/02/572136102.db2.gz IYLUOXZZQAPABB-SFYZADRCSA-N 1 1 197.282 2.239 10 0 AEAEMO C[NH2+][C@@H](C)c1nnc([C@@H](C)C(C)C)o1 69691268 572136110 /nfs/dbraw/zinc/13/61/10/572136110.db2.gz DCLNTEHSVVVVHH-YUMQZZPRSA-N 1 1 197.282 2.110 10 0 AEAEMO CCC[C@@H](CC)[N@@H+](C)[C@H](CN)C1CC1 300351807 572136120 /nfs/dbraw/zinc/13/61/20/572136120.db2.gz DPIJQBHYTGXFNL-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](CC)[N@@H+](C)[C@H](CN)C1CC1 300351806 572136240 /nfs/dbraw/zinc/13/62/40/572136240.db2.gz DPIJQBHYTGXFNL-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]([NH3+])c1nnc([C@@H](C)C(C)C)o1 69691319 572136324 /nfs/dbraw/zinc/13/63/24/572136324.db2.gz IYLUOXZZQAPABB-YUMQZZPRSA-N 1 1 197.282 2.239 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCC[C@H](C)[C@@H]1CN 69725983 572136482 /nfs/dbraw/zinc/13/64/82/572136482.db2.gz YXVIXFHKJHKZSF-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO C/C=C/CN1CCCC[C@@H]1CC[NH2+]C 69731024 572136591 /nfs/dbraw/zinc/13/65/91/572136591.db2.gz AGBFHOIDVMXWLE-AAOUONPWSA-N 1 1 196.338 2.027 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCCC[C@H]1CO 300350946 572136602 /nfs/dbraw/zinc/13/66/02/572136602.db2.gz ZCCHAZKDFXGRJP-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO C[NH2+][C@@H](C)c1nnc([C@H](C)C(C)C)o1 69691265 572136638 /nfs/dbraw/zinc/13/66/38/572136638.db2.gz DCLNTEHSVVVVHH-SFYZADRCSA-N 1 1 197.282 2.110 10 0 AEAEMO CC[C@@H]([NH3+])c1nnc([C@H](C)C(C)C)o1 69691327 572136695 /nfs/dbraw/zinc/13/66/95/572136695.db2.gz IYLUOXZZQAPABB-HTQZYQBOSA-N 1 1 197.282 2.239 10 0 AEAEMO CCC(CC)[N@H+]1CCC[C@@H](C)[C@@H]1CN 69725965 572136757 /nfs/dbraw/zinc/13/67/57/572136757.db2.gz UVDJPMGHTQFBJG-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@](C)(N)CCC 300377728 572136815 /nfs/dbraw/zinc/13/68/15/572136815.db2.gz GARROUREHGPNRS-WOPDTQHZSA-N 1 1 198.354 2.282 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCCCC[C@H]1CO 300350988 572136895 /nfs/dbraw/zinc/13/68/95/572136895.db2.gz ZKMZKNVUHVCHMU-RYUDHWBXSA-N 1 1 199.338 2.412 10 0 AEAEMO C/C=C/CN1CCCC[C@H]1CC[NH2+]C 69731026 572137026 /nfs/dbraw/zinc/13/70/26/572137026.db2.gz AGBFHOIDVMXWLE-PCAWENJQSA-N 1 1 196.338 2.027 10 0 AEAEMO CC(C)=CC[N@H+]1CCCC[C@H]1CC[NH3+] 69721033 572137276 /nfs/dbraw/zinc/13/72/76/572137276.db2.gz UFEKVIVVDBTYMZ-LBPRGKRZSA-N 1 1 196.338 2.156 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCCCC[C@H]1CO 300350987 572137308 /nfs/dbraw/zinc/13/73/08/572137308.db2.gz ZKMZKNVUHVCHMU-NEPJUHHUSA-N 1 1 199.338 2.412 10 0 AEAEMO C[NH2+][C@H](C)c1nnc([C@H](C)C(C)C)o1 69691260 572137421 /nfs/dbraw/zinc/13/74/21/572137421.db2.gz DCLNTEHSVVVVHH-HTQZYQBOSA-N 1 1 197.282 2.110 10 0 AEAEMO CCC[C@@H]1C[C@H]1[NH2+]C[C@](C)(N)CCC 300377726 572137597 /nfs/dbraw/zinc/13/75/97/572137597.db2.gz GARROUREHGPNRS-IJLUTSLNSA-N 1 1 198.354 2.282 10 0 AEAEMO CCC[C@@H]1C[C@@H]1[NH2+]C[C@](C)(N)CCC 300377725 572137663 /nfs/dbraw/zinc/13/76/63/572137663.db2.gz GARROUREHGPNRS-GRYCIOLGSA-N 1 1 198.354 2.282 10 0 AEAEMO CCCCCCN1CCC([NH2+]C)CC1 37469323 572137833 /nfs/dbraw/zinc/13/78/33/572137833.db2.gz KYQIOWXNESAMRD-UHFFFAOYSA-N 1 1 198.354 2.251 10 0 AEAEMO CC(C)=CC[N@H+]1CCCC[C@@H]1CC[NH3+] 69721030 572137837 /nfs/dbraw/zinc/13/78/37/572137837.db2.gz UFEKVIVVDBTYMZ-GFCCVEGCSA-N 1 1 196.338 2.156 10 0 AEAEMO CC[C@H](N)C[NH2+][C@@H]1CCC[C@H](C)CC1 300363518 572138616 /nfs/dbraw/zinc/13/86/16/572138616.db2.gz DSLDFNXPBMALPD-SDDRHHMPSA-N 1 1 198.354 2.282 10 0 AEAEMO CC[C@H](N)C[NH2+][C@H]1CCC[C@H](C)CC1 300363519 572138723 /nfs/dbraw/zinc/13/87/23/572138723.db2.gz DSLDFNXPBMALPD-SRVKXCTJSA-N 1 1 198.354 2.282 10 0 AEAEMO CCCC[C@@H](CCC)[N@H+]1CC[C@H](N)C1 300367580 572138893 /nfs/dbraw/zinc/13/88/93/572138893.db2.gz MCUUHIVZYVNFRP-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC(=[NH2+])NCCN(C)[C@H](C)CC 300368267 572140259 /nfs/dbraw/zinc/14/02/59/572140259.db2.gz QNLNVSSQDZFUFD-SNVBAGLBSA-N 1 1 199.342 2.084 10 0 AEAEMO CC(C)C[C@@H](C)[C@H](CN)[N@@H+](C)C1CC1 300954339 572141304 /nfs/dbraw/zinc/14/13/04/572141304.db2.gz QCYWKNZZGLWHAI-PWSUYJOCSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@@H](C)[C@H](C[NH3+])N(C)C1CC1 300954339 572141307 /nfs/dbraw/zinc/14/13/07/572141307.db2.gz QCYWKNZZGLWHAI-PWSUYJOCSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@H](C)[C@H](CN)[N@@H+](C)C1CC1 300954337 572141379 /nfs/dbraw/zinc/14/13/79/572141379.db2.gz QCYWKNZZGLWHAI-JQWIXIFHSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@H](C)[C@H](C[NH3+])N(C)C1CC1 300954337 572141381 /nfs/dbraw/zinc/14/13/81/572141381.db2.gz QCYWKNZZGLWHAI-JQWIXIFHSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](N)[C@H](C)CC 300374204 572141656 /nfs/dbraw/zinc/14/16/56/572141656.db2.gz BMPRPVAAYNOVEW-WYUUTHIRSA-N 1 1 198.354 2.138 10 0 AEAEMO CC(C)C[C@@H](C)[C@@H](CN)[N@@H+](C)C1CC1 300954342 572141690 /nfs/dbraw/zinc/14/16/90/572141690.db2.gz QCYWKNZZGLWHAI-ZYHUDNBSSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@@H](C)[C@@H](C[NH3+])N(C)C1CC1 300954342 572141696 /nfs/dbraw/zinc/14/16/96/572141696.db2.gz QCYWKNZZGLWHAI-ZYHUDNBSSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC[C@@H]1C[C@@H]1[NH2+]CCN[C@@H](C)CC 300375723 572141729 /nfs/dbraw/zinc/14/17/29/572141729.db2.gz CZFMBXSCOYESCW-TUAOUCFPSA-N 1 1 198.354 2.153 10 0 AEAEMO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](N)[C@@H](C)CC 300374201 572141738 /nfs/dbraw/zinc/14/17/38/572141738.db2.gz BMPRPVAAYNOVEW-QCNOEVLYSA-N 1 1 198.354 2.138 10 0 AEAEMO CC(C)C[C@H](C)[C@@H](CN)[N@@H+](C)C1CC1 300954332 572141946 /nfs/dbraw/zinc/14/19/46/572141946.db2.gz QCYWKNZZGLWHAI-CMPLNLGQSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@H](C)[C@@H](C[NH3+])N(C)C1CC1 300954332 572141949 /nfs/dbraw/zinc/14/19/49/572141949.db2.gz QCYWKNZZGLWHAI-CMPLNLGQSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](N)[C@@H](C)CC 300374202 572142301 /nfs/dbraw/zinc/14/23/01/572142301.db2.gz BMPRPVAAYNOVEW-USZNOCQGSA-N 1 1 198.354 2.138 10 0 AEAEMO CCC[C@@H]1C[C@@H]1[NH2+]CC1(N)CCCC1 300373108 572142561 /nfs/dbraw/zinc/14/25/61/572142561.db2.gz ADZQMBRLPVZLSD-MNOVXSKESA-N 1 1 196.338 2.036 10 0 AEAEMO CCC[C@@H]1C[C@H]1[NH2+]CCN[C@H](C)CC 300375722 572142762 /nfs/dbraw/zinc/14/27/62/572142762.db2.gz CZFMBXSCOYESCW-IJLUTSLNSA-N 1 1 198.354 2.153 10 0 AEAEMO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](N)[C@H](C)CC 300374199 572143026 /nfs/dbraw/zinc/14/30/26/572143026.db2.gz BMPRPVAAYNOVEW-KKOKHZNYSA-N 1 1 198.354 2.138 10 0 AEAEMO CCC[C@@H]1C[C@@H]1[NH2+]CC(C)(C)NCC 300375413 572143396 /nfs/dbraw/zinc/14/33/96/572143396.db2.gz CWRAAJRQVBCVQX-MNOVXSKESA-N 1 1 198.354 2.153 10 0 AEAEMO CCC[C@@H]1C[C@@H]1NCC(C)(C)[NH2+]CC 300375413 572143393 /nfs/dbraw/zinc/14/33/93/572143393.db2.gz CWRAAJRQVBCVQX-MNOVXSKESA-N 1 1 198.354 2.153 10 0 AEAEMO CCC[C@@H]1C[C@@H]1[NH2+]CCN[C@H](C)CC 300375724 572143670 /nfs/dbraw/zinc/14/36/70/572143670.db2.gz CZFMBXSCOYESCW-UTUOFQBUSA-N 1 1 198.354 2.153 10 0 AEAEMO CCC[C@@H]1C[C@@H]1[NH2+]CCNC(C)(C)C 300381213 572144482 /nfs/dbraw/zinc/14/44/82/572144482.db2.gz JENHBAHSPBNSOY-MNOVXSKESA-N 1 1 198.354 2.153 10 0 AEAEMO CC[C@@H]1C[C@@H]1[NH2+]CC1(N)CCCCC1 300381558 572145557 /nfs/dbraw/zinc/14/55/57/572145557.db2.gz JILOIKMQSRBJFK-MNOVXSKESA-N 1 1 196.338 2.036 10 0 AEAEMO CCC[C@H](CCO)C[N@H+]1CCC[C@H]1C 300379598 572145759 /nfs/dbraw/zinc/14/57/59/572145759.db2.gz YIBHWFXLYKHOSO-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@@H](CCO)C[N@H+]1CCC[C@H]1C 300379596 572145800 /nfs/dbraw/zinc/14/58/00/572145800.db2.gz YIBHWFXLYKHOSO-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@H]1CCCC[C@H]1[N@H+](C)CCNC 69802574 572147134 /nfs/dbraw/zinc/14/71/34/572147134.db2.gz KLQQEDLILJFOOQ-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)CCNC 69802574 572147135 /nfs/dbraw/zinc/14/71/35/572147135.db2.gz KLQQEDLILJFOOQ-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CCNC 69802570 572146363 /nfs/dbraw/zinc/14/63/63/572146363.db2.gz KLQQEDLILJFOOQ-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CCNC 69802570 572146365 /nfs/dbraw/zinc/14/63/65/572146365.db2.gz KLQQEDLILJFOOQ-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H]1CCCC[C@@H]1[N@H+](C)CCNC 69802572 572146399 /nfs/dbraw/zinc/14/63/99/572146399.db2.gz KLQQEDLILJFOOQ-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)CCNC 69802572 572146401 /nfs/dbraw/zinc/14/64/01/572146401.db2.gz KLQQEDLILJFOOQ-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H]1CCCC[C@H]1[N@H+](C)CCNC 69802575 572147167 /nfs/dbraw/zinc/14/71/67/572147167.db2.gz KLQQEDLILJFOOQ-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H]1CCCC[C@H]1[N@@H+](C)CCNC 69802575 572147171 /nfs/dbraw/zinc/14/71/71/572147171.db2.gz KLQQEDLILJFOOQ-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](N)CC(C)C 300383276 572147576 /nfs/dbraw/zinc/14/75/76/572147576.db2.gz LDFSPTRZALZWSH-WOPDTQHZSA-N 1 1 198.354 2.138 10 0 AEAEMO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](N)CC(C)C 300383275 572147798 /nfs/dbraw/zinc/14/77/98/572147798.db2.gz LDFSPTRZALZWSH-UTUOFQBUSA-N 1 1 198.354 2.138 10 0 AEAEMO C[N@H+](CCNC1CC1)C1CCCCC1 37476698 572147831 /nfs/dbraw/zinc/14/78/31/572147831.db2.gz VSPFHBXGYXYWLC-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO C[N@@H+](CCNC1CC1)C1CCCCC1 37476698 572147833 /nfs/dbraw/zinc/14/78/33/572147833.db2.gz VSPFHBXGYXYWLC-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@@H]1CCCC[N@@H+]1CCNC1CC1 37476736 572148109 /nfs/dbraw/zinc/14/81/09/572148109.db2.gz CRPXGIAUCRJQOC-GFCCVEGCSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1CCNC1CC1 37476736 572148111 /nfs/dbraw/zinc/14/81/11/572148111.db2.gz CRPXGIAUCRJQOC-GFCCVEGCSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@H]1CCC[C@@H](C)[N@@H+]1CCNC1CC1 37476710 572148475 /nfs/dbraw/zinc/14/84/75/572148475.db2.gz MALRTEAEJGBWEA-PHIMTYICSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@H]1CCC[C@@H](C)[N@H+]1CCNC1CC1 37476710 572148480 /nfs/dbraw/zinc/14/84/80/572148480.db2.gz MALRTEAEJGBWEA-PHIMTYICSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H]1CCCC[N@@H+]1CCNC1CC1 37476737 572148687 /nfs/dbraw/zinc/14/86/87/572148687.db2.gz CRPXGIAUCRJQOC-LBPRGKRZSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1CCNC1CC1 37476737 572148690 /nfs/dbraw/zinc/14/86/90/572148690.db2.gz CRPXGIAUCRJQOC-LBPRGKRZSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[N@H+](CCNC1CC1)C1CCCC1 37476770 572149279 /nfs/dbraw/zinc/14/92/79/572149279.db2.gz AIXQDKBKQRYWID-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[N@@H+](CCNC1CC1)C1CCCC1 37476770 572149281 /nfs/dbraw/zinc/14/92/81/572149281.db2.gz AIXQDKBKQRYWID-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@H]1CCC[C@H](C)[NH+]1CCNC1CC1 37476711 572148874 /nfs/dbraw/zinc/14/88/74/572148874.db2.gz MALRTEAEJGBWEA-QWRGUYRKSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC1CC1 37476712 572148938 /nfs/dbraw/zinc/14/89/38/572148938.db2.gz MALRTEAEJGBWEA-GHMZBOCLSA-N 1 1 196.338 2.001 10 0 AEAEMO CCC[C@@H]1C[C@H]1[NH2+]C[C@H](N)CC(C)C 300383274 572149045 /nfs/dbraw/zinc/14/90/45/572149045.db2.gz LDFSPTRZALZWSH-IJLUTSLNSA-N 1 1 198.354 2.138 10 0 AEAEMO CCCCOCCc1ccc[nH+]c1N 69841426 572149595 /nfs/dbraw/zinc/14/95/95/572149595.db2.gz MQRJEDKRPJIOGO-UHFFFAOYSA-N 1 1 194.278 2.023 10 0 AEAEMO CCCCCc1ccc[nH+]c1N 69841336 572150170 /nfs/dbraw/zinc/15/01/70/572150170.db2.gz ZGLOYRABIUEIDS-UHFFFAOYSA-N 1 1 164.252 2.397 10 0 AEAEMO CCCCCN(C)CC1([NH3+])CCCC1 37479613 572150897 /nfs/dbraw/zinc/15/08/97/572150897.db2.gz CTZPYUODUXQEKX-UHFFFAOYSA-N 1 1 198.354 2.380 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)CC1(N)CCCC1 37479639 572150957 /nfs/dbraw/zinc/15/09/57/572150957.db2.gz CEYDDJKCJUQZKI-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@H](C)N(C)CC1([NH3+])CCCC1 37479639 572150962 /nfs/dbraw/zinc/15/09/62/572150962.db2.gz CEYDDJKCJUQZKI-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)CC1(N)CCCC1 37479614 572151045 /nfs/dbraw/zinc/15/10/45/572151045.db2.gz ZJJBZGMYVJPKBJ-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H](C)CN(C)CC1([NH3+])CCCC1 37479614 572151048 /nfs/dbraw/zinc/15/10/48/572151048.db2.gz ZJJBZGMYVJPKBJ-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC(CC)[N@@H+](C)CC1(N)CCCC1 37479637 572151162 /nfs/dbraw/zinc/15/11/62/572151162.db2.gz LOIAHPORNXZSTN-UHFFFAOYSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC(CC)N(C)CC1([NH3+])CCCC1 37479637 572151165 /nfs/dbraw/zinc/15/11/65/572151165.db2.gz LOIAHPORNXZSTN-UHFFFAOYSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)CC1(N)CCCC1 37479638 572151219 /nfs/dbraw/zinc/15/12/19/572151219.db2.gz CEYDDJKCJUQZKI-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@@H](C)N(C)CC1([NH3+])CCCC1 37479638 572151223 /nfs/dbraw/zinc/15/12/23/572151223.db2.gz CEYDDJKCJUQZKI-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCN(CC1([NH3+])CCCC1)C1CC1 37479605 572151325 /nfs/dbraw/zinc/15/13/25/572151325.db2.gz STBCRBYCNCVTNW-UHFFFAOYSA-N 1 1 196.338 2.132 10 0 AEAEMO CC[N@@H+](CC(C)C)CC1(N)CCCC1 37479610 572151496 /nfs/dbraw/zinc/15/14/96/572151496.db2.gz DCTBIGNLSLQGHO-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CCN(CC(C)C)CC1([NH3+])CCCC1 37479610 572151499 /nfs/dbraw/zinc/15/14/99/572151499.db2.gz DCTBIGNLSLQGHO-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)CC1(N)CCCC1 37479615 572151646 /nfs/dbraw/zinc/15/16/46/572151646.db2.gz ZJJBZGMYVJPKBJ-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H](C)CN(C)CC1([NH3+])CCCC1 37479615 572151649 /nfs/dbraw/zinc/15/16/49/572151649.db2.gz ZJJBZGMYVJPKBJ-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[N@@H+](CC1(N)CCCC1)C(C)C 37479604 572151964 /nfs/dbraw/zinc/15/19/64/572151964.db2.gz XJHLBOSEXZCLRN-UHFFFAOYSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCN(CC1([NH3+])CCCC1)C(C)C 37479604 572151966 /nfs/dbraw/zinc/15/19/66/572151966.db2.gz XJHLBOSEXZCLRN-UHFFFAOYSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[N@@H+](CCC[NH3+])C1CCC(C)CC1 82848496 572151975 /nfs/dbraw/zinc/15/19/75/572151975.db2.gz YCTAEULCMMXVTO-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)CC1(N)CCCC1 37479635 572152005 /nfs/dbraw/zinc/15/20/05/572152005.db2.gz YODMQTBLXBFDDU-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[C@@H](C)N(C)CC1([NH3+])CCCC1 37479635 572152009 /nfs/dbraw/zinc/15/20/09/572152009.db2.gz YODMQTBLXBFDDU-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC1CCC([N@@H+](CC)CCN)CC1 82848508 572153987 /nfs/dbraw/zinc/15/39/87/572153987.db2.gz ALGKEMMOCXAYIC-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@H]1CC[C@@H]([N@@H+]2CCC(=O)C2)C[C@@H]1C 82846506 572152463 /nfs/dbraw/zinc/15/24/63/572152463.db2.gz CBXYHDZNCAOLKS-GARJFASQSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@H]1CC[C@@H]([N@H+]2CCC(=O)C2)C[C@@H]1C 82846506 572152468 /nfs/dbraw/zinc/15/24/68/572152468.db2.gz CBXYHDZNCAOLKS-GARJFASQSA-N 1 1 195.306 2.086 10 0 AEAEMO CCCCN(CC)C[C@](C)([NH3+])C1CC1 37479160 572154150 /nfs/dbraw/zinc/15/41/50/572154150.db2.gz NVBZUSWSQAZACZ-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[N@@H+](CC)C[C@](C)(N)CCC 37480942 572154118 /nfs/dbraw/zinc/15/41/18/572154118.db2.gz JVAHSFVSBCGIPD-LLVKDONJSA-N 1 1 186.343 2.236 10 0 AEAEMO C[C@H]1C[C@H]1C[N@@H+](C)CCCCCCO 235644130 572152681 /nfs/dbraw/zinc/15/26/81/572152681.db2.gz ISILIVGJNGUEMV-RYUDHWBXSA-N 1 1 199.338 2.127 10 0 AEAEMO CCCC[N@@H+](CC)CC1(N)CCCC1 37479576 572152617 /nfs/dbraw/zinc/15/26/17/572152617.db2.gz YTNPLVNUDWALPI-UHFFFAOYSA-N 1 1 198.354 2.380 10 0 AEAEMO CCCCN(CC)CC1([NH3+])CCCC1 37479576 572152619 /nfs/dbraw/zinc/15/26/19/572152619.db2.gz YTNPLVNUDWALPI-UHFFFAOYSA-N 1 1 198.354 2.380 10 0 AEAEMO CCCN(CC)C[C@](C)([NH3+])CCC 37480942 572154121 /nfs/dbraw/zinc/15/41/21/572154121.db2.gz JVAHSFVSBCGIPD-LLVKDONJSA-N 1 1 186.343 2.236 10 0 AEAEMO CCC[N@@H+](CCO)C1CCC(C)CC1 82856237 572152747 /nfs/dbraw/zinc/15/27/47/572152747.db2.gz IRHUXCLYNQQMOS-UHFFFAOYSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)CC1(N)CCCC1 37479612 572152788 /nfs/dbraw/zinc/15/27/88/572152788.db2.gz XOTOCILLSXRJAU-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@H](C)N(CC)CC1([NH3+])CCCC1 37479612 572152789 /nfs/dbraw/zinc/15/27/89/572152789.db2.gz XOTOCILLSXRJAU-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)CC1(N)CCCC1 37479611 572153138 /nfs/dbraw/zinc/15/31/38/572153138.db2.gz XOTOCILLSXRJAU-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@@H](C)N(CC)CC1([NH3+])CCCC1 37479611 572153141 /nfs/dbraw/zinc/15/31/41/572153141.db2.gz XOTOCILLSXRJAU-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO C[C@H]1C[C@H]([N@H+](C)C[C@@H](C)N)CC[C@H]1C 82844827 572153193 /nfs/dbraw/zinc/15/31/93/572153193.db2.gz OLTVSJFALDLLKM-WRWGMCAJSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H]1C[C@H](N(C)C[C@@H](C)[NH3+])CC[C@H]1C 82844827 572153195 /nfs/dbraw/zinc/15/31/95/572153195.db2.gz OLTVSJFALDLLKM-WRWGMCAJSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)CC1(N)CCCC1 37479636 572153287 /nfs/dbraw/zinc/15/32/87/572153287.db2.gz YODMQTBLXBFDDU-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[C@H](C)N(C)CC1([NH3+])CCCC1 37479636 572153289 /nfs/dbraw/zinc/15/32/89/572153289.db2.gz YODMQTBLXBFDDU-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](CCN)[C@@H]1CC[C@H](C)[C@H](C)C1 82841752 572153300 /nfs/dbraw/zinc/15/33/00/572153300.db2.gz NHVSTYQHVGVIBM-QJPTWQEYSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[N@@H+](CC)C[C@](C)(N)C1CC1 37479160 572154148 /nfs/dbraw/zinc/15/41/48/572154148.db2.gz NVBZUSWSQAZACZ-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[N@@H+](CCO)[C@@H]1CC[C@H](C)[C@H](C)C1 82844287 572153348 /nfs/dbraw/zinc/15/33/48/572153348.db2.gz HSRBVUYCALPBSM-QJPTWQEYSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[N@@H+](CCN)C1CCC(C)CC1 82848511 572153593 /nfs/dbraw/zinc/15/35/93/572153593.db2.gz TVVKFFQJDLDYDH-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@H]1C[C@H]([N@H+](C)C[C@@H](C)O)CC[C@H]1C 82844322 572153635 /nfs/dbraw/zinc/15/36/35/572153635.db2.gz UDETZMYPUHJTCQ-WRWGMCAJSA-N 1 1 199.338 2.124 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)C[C@](C)(N)C1CC1 37479224 572153742 /nfs/dbraw/zinc/15/37/42/572153742.db2.gz HWENETFIUBXIBQ-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)N(CC)C[C@](C)([NH3+])C1CC1 37479224 572153745 /nfs/dbraw/zinc/15/37/45/572153745.db2.gz HWENETFIUBXIBQ-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@](C)(N)C[N@@H+](C)CC(C)C 37480958 572153782 /nfs/dbraw/zinc/15/37/82/572153782.db2.gz NPRSKKIRZBPJLS-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@@](C)([NH3+])CN(C)CC(C)C 37480958 572153783 /nfs/dbraw/zinc/15/37/83/572153783.db2.gz NPRSKKIRZBPJLS-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCCC[C@@H](N)C[N@@H+](C)[C@@H](C)CC 37480960 572153857 /nfs/dbraw/zinc/15/38/57/572153857.db2.gz HJLDDMZIBSJONC-WDEREUQCSA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[C@@H]([NH3+])CN(C)[C@@H](C)CC 37480960 572153860 /nfs/dbraw/zinc/15/38/60/572153860.db2.gz HJLDDMZIBSJONC-WDEREUQCSA-N 1 1 186.343 2.234 10 0 AEAEMO CCCN(CCC)C[C@@](C)([NH3+])C1CC1 37479154 572153883 /nfs/dbraw/zinc/15/38/83/572153883.db2.gz NDHWPBLMPDWELN-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@H]1CC[C@H]([N@@H+]2CCC(=O)C2)C[C@@H]1C 82846504 572153977 /nfs/dbraw/zinc/15/39/77/572153977.db2.gz CBXYHDZNCAOLKS-DCAQKATOSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@H]1CC[C@H]([N@H+]2CCC(=O)C2)C[C@@H]1C 82846504 572153979 /nfs/dbraw/zinc/15/39/79/572153979.db2.gz CBXYHDZNCAOLKS-DCAQKATOSA-N 1 1 195.306 2.086 10 0 AEAEMO CCCC[C@@H]([NH3+])CN1CCCC[C@@H]1C 37480788 572154046 /nfs/dbraw/zinc/15/40/46/572154046.db2.gz JKSMJTGYZSLEPD-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@H](N)C[N@@H+]1CCCC[C@@H]1C 37480788 572154049 /nfs/dbraw/zinc/15/40/49/572154049.db2.gz JKSMJTGYZSLEPD-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@H](N)C[N@H+]1CCCC[C@@H]1C 37480788 572154050 /nfs/dbraw/zinc/15/40/50/572154050.db2.gz JKSMJTGYZSLEPD-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[N@@H+](CC)C[C@@](C)(N)C1CC1 37479161 572154306 /nfs/dbraw/zinc/15/43/06/572154306.db2.gz NVBZUSWSQAZACZ-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCN(CC)C[C@@](C)([NH3+])C1CC1 37479161 572154307 /nfs/dbraw/zinc/15/43/07/572154307.db2.gz NVBZUSWSQAZACZ-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@](C)(N)C[N@@H+](C)[C@@H](C)C1CC1 37481034 572154341 /nfs/dbraw/zinc/15/43/41/572154341.db2.gz ZOZAAIYMVLUDGT-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@](C)([NH3+])CN(C)[C@@H](C)C1CC1 37481034 572154343 /nfs/dbraw/zinc/15/43/43/572154343.db2.gz ZOZAAIYMVLUDGT-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+](C[C@](C)(N)C1CC1)C(C)C 37479212 572155068 /nfs/dbraw/zinc/15/50/68/572155068.db2.gz UBVBERVLUBZHJF-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCN(C[C@](C)([NH3+])C1CC1)C(C)C 37479212 572155071 /nfs/dbraw/zinc/15/50/71/572155071.db2.gz UBVBERVLUBZHJF-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)C[C@](C)(N)C1CC1 37479228 572154535 /nfs/dbraw/zinc/15/45/35/572154535.db2.gz LZRSKDOFMVRRQR-PWSUYJOCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](C)CN(C)C[C@](C)([NH3+])C1CC1 37479228 572154538 /nfs/dbraw/zinc/15/45/38/572154538.db2.gz LZRSKDOFMVRRQR-PWSUYJOCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@](C)(N)C[N@@H+](C)CC(C)C 37480957 572154553 /nfs/dbraw/zinc/15/45/53/572154553.db2.gz NPRSKKIRZBPJLS-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@](C)([NH3+])CN(C)CC(C)C 37480957 572154556 /nfs/dbraw/zinc/15/45/56/572154556.db2.gz NPRSKKIRZBPJLS-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO C[N@@H+](CCNc1ccccc1)C1CC1 37483112 572154593 /nfs/dbraw/zinc/15/45/93/572154593.db2.gz JRJBANPPAMYUOJ-UHFFFAOYSA-N 1 1 190.290 2.193 10 0 AEAEMO CCCC[C@@H](N)C[N@@H+](CC)CCC 37480940 572154614 /nfs/dbraw/zinc/15/46/14/572154614.db2.gz USVAJOIKRHJADU-LLVKDONJSA-N 1 1 186.343 2.236 10 0 AEAEMO CCCC[C@@H]([NH3+])CN(CC)CCC 37480940 572154618 /nfs/dbraw/zinc/15/46/18/572154618.db2.gz USVAJOIKRHJADU-LLVKDONJSA-N 1 1 186.343 2.236 10 0 AEAEMO CCCN(CC)C[C@@](C)([NH3+])CCC 37480941 572155374 /nfs/dbraw/zinc/15/53/74/572155374.db2.gz JVAHSFVSBCGIPD-NSHDSACASA-N 1 1 186.343 2.236 10 0 AEAEMO CCC[C@@](C)(N)C[N@@H+](C)[C@@H](C)CC 37480962 572154722 /nfs/dbraw/zinc/15/47/22/572154722.db2.gz KBKQOMMQNDBQIX-WDEREUQCSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@@](C)([NH3+])CN(C)[C@@H](C)CC 37480962 572154724 /nfs/dbraw/zinc/15/47/24/572154724.db2.gz KBKQOMMQNDBQIX-WDEREUQCSA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[C@H]([NH3+])CN1CCC[C@H](C)C1 37480807 572154798 /nfs/dbraw/zinc/15/47/98/572154798.db2.gz VESCAVFKGXLCEN-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[C@H](N)C[N@@H+]1CCC[C@H](C)C1 37480807 572154803 /nfs/dbraw/zinc/15/48/03/572154803.db2.gz VESCAVFKGXLCEN-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[C@H](N)C[N@H+]1CCC[C@H](C)C1 37480807 572154806 /nfs/dbraw/zinc/15/48/06/572154806.db2.gz VESCAVFKGXLCEN-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[C@H](N)C[N@@H+](CC)C(C)C 37480927 572154840 /nfs/dbraw/zinc/15/48/40/572154840.db2.gz AEDQTOPPZVJNFE-NSHDSACASA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[C@H]([NH3+])CN(CC)C(C)C 37480927 572154841 /nfs/dbraw/zinc/15/48/41/572154841.db2.gz AEDQTOPPZVJNFE-NSHDSACASA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[C@@H](N)C[N@@H+](C)[C@@H](C)C1CC1 37481032 572154883 /nfs/dbraw/zinc/15/48/83/572154883.db2.gz WUKKGQSZVHQIQH-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@@H]([NH3+])CN(C)[C@@H](C)C1CC1 37481032 572154886 /nfs/dbraw/zinc/15/48/86/572154886.db2.gz WUKKGQSZVHQIQH-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@@H]([NH3+])CN1CCCCCC1 37480812 572154892 /nfs/dbraw/zinc/15/48/92/572154892.db2.gz MXTSVOPUAZUEKV-GFCCVEGCSA-N 1 1 198.354 2.380 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)C[C@](C)(N)C1CC1 37479259 572154922 /nfs/dbraw/zinc/15/49/22/572154922.db2.gz PGVOSCQHEMJIAO-JQWIXIFHSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@H](C)N(C)C[C@](C)([NH3+])C1CC1 37479259 572154924 /nfs/dbraw/zinc/15/49/24/572154924.db2.gz PGVOSCQHEMJIAO-JQWIXIFHSA-N 1 1 198.354 2.090 10 0 AEAEMO CCCC[C@H](N)C[N@@H+](C)[C@@H](C)C1CC1 37481031 572155315 /nfs/dbraw/zinc/15/53/15/572155315.db2.gz WUKKGQSZVHQIQH-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@H]([NH3+])CN(C)[C@@H](C)C1CC1 37481031 572155319 /nfs/dbraw/zinc/15/53/19/572155319.db2.gz WUKKGQSZVHQIQH-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@@H](N)C[N@@H+](CC)C(C)C 37480928 572155358 /nfs/dbraw/zinc/15/53/58/572155358.db2.gz AEDQTOPPZVJNFE-LLVKDONJSA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[C@@H]([NH3+])CN(CC)C(C)C 37480928 572155360 /nfs/dbraw/zinc/15/53/60/572155360.db2.gz AEDQTOPPZVJNFE-LLVKDONJSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[N@@H+](CC)C[C@@](C)(N)CCC 37480941 572155371 /nfs/dbraw/zinc/15/53/71/572155371.db2.gz JVAHSFVSBCGIPD-NSHDSACASA-N 1 1 186.343 2.236 10 0 AEAEMO CCC[C@@](C)(N)C[N@@H+](C)C1CCCC1 37480938 572155698 /nfs/dbraw/zinc/15/56/98/572155698.db2.gz DCQLUKGUWOHOPR-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@@](C)([NH3+])CN(C)C1CCCC1 37480938 572155702 /nfs/dbraw/zinc/15/57/02/572155702.db2.gz DCQLUKGUWOHOPR-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@H]([NH3+])CN(CCC)C1CC1 37480947 572155723 /nfs/dbraw/zinc/15/57/23/572155723.db2.gz RHBRXFNIIGSZTM-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@H](N)C[N@H+](CCC)C1CC1 37480947 572155726 /nfs/dbraw/zinc/15/57/26/572155726.db2.gz RHBRXFNIIGSZTM-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@H](N)C[N@@H+](CCC)C1CC1 37480947 572155730 /nfs/dbraw/zinc/15/57/30/572155730.db2.gz RHBRXFNIIGSZTM-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@H]([NH3+])CN(C)CCCC 37480832 572155748 /nfs/dbraw/zinc/15/57/48/572155748.db2.gz NGFLXULHBJJPSW-LLVKDONJSA-N 1 1 186.343 2.236 10 0 AEAEMO CCCC[C@H](N)C[N@@H+](C)[C@@H](C)CC 37480959 572155865 /nfs/dbraw/zinc/15/58/65/572155865.db2.gz HJLDDMZIBSJONC-QWRGUYRKSA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[C@H]([NH3+])CN(C)[C@@H](C)CC 37480959 572155867 /nfs/dbraw/zinc/15/58/67/572155867.db2.gz HJLDDMZIBSJONC-QWRGUYRKSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[N@@H+](CC(C)C)C[C@@](C)(N)C1CC1 37479223 572156040 /nfs/dbraw/zinc/15/60/40/572156040.db2.gz FKSQOEQCDZJIJM-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCN(CC(C)C)C[C@@](C)([NH3+])C1CC1 37479223 572156042 /nfs/dbraw/zinc/15/60/42/572156042.db2.gz FKSQOEQCDZJIJM-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCCN(C)C[C@](C)([NH3+])CCC 37480833 572155895 /nfs/dbraw/zinc/15/58/95/572155895.db2.gz NHRACLFNFQIFMJ-LLVKDONJSA-N 1 1 186.343 2.236 10 0 AEAEMO CCC[N@@H+](C)CCNc1ccccc1 37483118 572155911 /nfs/dbraw/zinc/15/59/11/572155911.db2.gz HQGYMFDFKHORAR-UHFFFAOYSA-N 1 1 192.306 2.440 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)C[C@](C)(N)C1CC1 37479225 572155949 /nfs/dbraw/zinc/15/59/49/572155949.db2.gz HWENETFIUBXIBQ-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)N(CC)C[C@](C)([NH3+])C1CC1 37479225 572155952 /nfs/dbraw/zinc/15/59/52/572155952.db2.gz HWENETFIUBXIBQ-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[N@@H+](C)CCNc1ccccc1 37483108 572155987 /nfs/dbraw/zinc/15/59/87/572155987.db2.gz IUDXRSPSLNRWLO-UHFFFAOYSA-N 1 1 192.306 2.439 10 0 AEAEMO CCCN(C[C@](C)([NH3+])CCC)C1CC1 37480950 572156331 /nfs/dbraw/zinc/15/63/31/572156331.db2.gz GEZMJKLNHBSSHS-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[N@H+](C[C@](C)(N)CCC)C1CC1 37480950 572156332 /nfs/dbraw/zinc/15/63/32/572156332.db2.gz GEZMJKLNHBSSHS-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[N@@H+](C[C@](C)(N)CCC)C1CC1 37480950 572156334 /nfs/dbraw/zinc/15/63/34/572156334.db2.gz GEZMJKLNHBSSHS-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@](C)(N)C[N@@H+](C)[C@@H](C)C1CC1 37481033 572156390 /nfs/dbraw/zinc/15/63/90/572156390.db2.gz ZOZAAIYMVLUDGT-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@](C)([NH3+])CN(C)[C@@H](C)C1CC1 37481033 572156393 /nfs/dbraw/zinc/15/63/93/572156393.db2.gz ZOZAAIYMVLUDGT-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@H](N)C[N@@H+](C)C1CCCC1 37480935 572156665 /nfs/dbraw/zinc/15/66/65/572156665.db2.gz VNGCKVRMCSJYBQ-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@H]([NH3+])CN(C)C1CCCC1 37480935 572156667 /nfs/dbraw/zinc/15/66/67/572156667.db2.gz VNGCKVRMCSJYBQ-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@H](N)C[N@@H+](C)C1CCCC1 37480936 572156524 /nfs/dbraw/zinc/15/65/24/572156524.db2.gz VNGCKVRMCSJYBQ-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@H]([NH3+])CN(C)C1CCCC1 37480936 572156527 /nfs/dbraw/zinc/15/65/27/572156527.db2.gz VNGCKVRMCSJYBQ-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)C[C@](C)(N)C1CC1 37479258 572156577 /nfs/dbraw/zinc/15/65/77/572156577.db2.gz PGVOSCQHEMJIAO-PWSUYJOCSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@@H](C)N(C)C[C@](C)([NH3+])C1CC1 37479258 572156581 /nfs/dbraw/zinc/15/65/81/572156581.db2.gz PGVOSCQHEMJIAO-PWSUYJOCSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)C[C@](C)(N)C1CC1 37479264 572156890 /nfs/dbraw/zinc/15/68/90/572156890.db2.gz WELIFAVHJZRLSF-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H](C)N(C)C[C@](C)([NH3+])C1CC1 37479264 572156893 /nfs/dbraw/zinc/15/68/93/572156893.db2.gz WELIFAVHJZRLSF-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@](C)(N)C[N@@H+](CC)C(C)C 37480929 572156917 /nfs/dbraw/zinc/15/69/17/572156917.db2.gz OJEXAFFXZDQJOA-NSHDSACASA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@](C)([NH3+])CN(CC)C(C)C 37480929 572156919 /nfs/dbraw/zinc/15/69/19/572156919.db2.gz OJEXAFFXZDQJOA-NSHDSACASA-N 1 1 186.343 2.234 10 0 AEAEMO CCCCCN(C)C[C@@](C)([NH3+])C1CC1 37479227 572156977 /nfs/dbraw/zinc/15/69/77/572156977.db2.gz NWRFCTXMYMGUBK-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[C@H]([NH3+])CN(C)CCCC 37480831 572157024 /nfs/dbraw/zinc/15/70/24/572157024.db2.gz NGFLXULHBJJPSW-NSHDSACASA-N 1 1 186.343 2.236 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)C[C@](C)(N)C1CC1 37479229 572157055 /nfs/dbraw/zinc/15/70/55/572157055.db2.gz LZRSKDOFMVRRQR-JQWIXIFHSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)CN(C)C[C@](C)([NH3+])C1CC1 37479229 572157060 /nfs/dbraw/zinc/15/70/60/572157060.db2.gz LZRSKDOFMVRRQR-JQWIXIFHSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[N@@H+](C)Cc1ccc(F)cc1N 82864505 572157383 /nfs/dbraw/zinc/15/73/83/572157383.db2.gz BIBLZSLFLSZXKB-UHFFFAOYSA-N 1 1 196.269 2.250 10 0 AEAEMO CCCCN(C)C[C@@](C)([NH3+])CCC 37480834 572157225 /nfs/dbraw/zinc/15/72/25/572157225.db2.gz NHRACLFNFQIFMJ-NSHDSACASA-N 1 1 186.343 2.236 10 0 AEAEMO CCCC[C@H](N)C[N@@H+](CC)CCC 37480939 572157300 /nfs/dbraw/zinc/15/73/00/572157300.db2.gz USVAJOIKRHJADU-NSHDSACASA-N 1 1 186.343 2.236 10 0 AEAEMO CCCC[C@H]([NH3+])CN(CC)CCC 37480939 572157304 /nfs/dbraw/zinc/15/73/04/572157304.db2.gz USVAJOIKRHJADU-NSHDSACASA-N 1 1 186.343 2.236 10 0 AEAEMO CCCN(C[C@@](C)([NH3+])CCC)C1CC1 37480949 572157317 /nfs/dbraw/zinc/15/73/17/572157317.db2.gz GEZMJKLNHBSSHS-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[N@H+](C[C@@](C)(N)CCC)C1CC1 37480949 572157319 /nfs/dbraw/zinc/15/73/19/572157319.db2.gz GEZMJKLNHBSSHS-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[N@@H+](C[C@@](C)(N)CCC)C1CC1 37480949 572157320 /nfs/dbraw/zinc/15/73/20/572157320.db2.gz GEZMJKLNHBSSHS-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCN(C)C[C@](C)([NH3+])C1CC1 37479226 572157345 /nfs/dbraw/zinc/15/73/45/572157345.db2.gz NWRFCTXMYMGUBK-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[C@H](C)[NH2+]C[C@@H]1CCN(C)C1 37484845 572158622 /nfs/dbraw/zinc/15/86/22/572158622.db2.gz CYARITSGJOGNED-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[C@@H](C)[NH2+]C[C@H]1CCN(C)C1 37484846 572158663 /nfs/dbraw/zinc/15/86/63/572158663.db2.gz CYARITSGJOGNED-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[N@@H+](C)Cc1ccc(N)cc1F 82864744 572159083 /nfs/dbraw/zinc/15/90/83/572159083.db2.gz QFKNBBLBYJFJCK-UHFFFAOYSA-N 1 1 196.269 2.250 10 0 AEAEMO Cc1ccc(-c2c(C)cc[nH+]c2N)cn1 69942658 572159248 /nfs/dbraw/zinc/15/92/48/572159248.db2.gz GQTANTZMBJQRCY-UHFFFAOYSA-N 1 1 199.257 2.343 10 0 AEAEMO CCCCC[N@H+]1CC[C@@H](C)NC[C@H]1C 249767828 572159554 /nfs/dbraw/zinc/15/95/54/572159554.db2.gz AAWIJTUGYSQZEC-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCCN1CC[C@@H](C)[NH2+]C[C@H]1C 249767828 572159557 /nfs/dbraw/zinc/15/95/57/572159557.db2.gz AAWIJTUGYSQZEC-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@H](C)[NH2+]C[C@H]1CCN(C)C1 37484847 572159898 /nfs/dbraw/zinc/15/98/98/572159898.db2.gz CYARITSGJOGNED-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[C@@H](C)[NH2+]C[C@@H]1CCN(C)C1 37484844 572160202 /nfs/dbraw/zinc/16/02/02/572160202.db2.gz CYARITSGJOGNED-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[C@@H](O)c1c(C)cc[nH+]c1N 69941959 572160289 /nfs/dbraw/zinc/16/02/89/572160289.db2.gz JNQRYDYAQWFPKT-SECBINFHSA-N 1 1 194.278 2.196 10 0 AEAEMO CCCCC[N@H+]1CC[C@H](C)NC[C@H]1C 249767817 572160358 /nfs/dbraw/zinc/16/03/58/572160358.db2.gz AAWIJTUGYSQZEC-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCCN1CC[C@H](C)[NH2+]C[C@H]1C 249767817 572160360 /nfs/dbraw/zinc/16/03/60/572160360.db2.gz AAWIJTUGYSQZEC-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@H](O)c1cc(C)c[nH+]c1N 69942866 572160921 /nfs/dbraw/zinc/16/09/21/572160921.db2.gz UGOSEAFLBKJQTG-JTQLQIEISA-N 1 1 194.278 2.196 10 0 AEAEMO CCCC[C@@H](O)c1cc(C)c[nH+]c1N 69942867 572161063 /nfs/dbraw/zinc/16/10/63/572161063.db2.gz UGOSEAFLBKJQTG-SNVBAGLBSA-N 1 1 194.278 2.196 10 0 AEAEMO CCCC[C@H](O)c1c(C)cc[nH+]c1N 69941957 572161449 /nfs/dbraw/zinc/16/14/49/572161449.db2.gz JNQRYDYAQWFPKT-VIFPVBQESA-N 1 1 194.278 2.196 10 0 AEAEMO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)C(F)F 300392851 572161451 /nfs/dbraw/zinc/16/14/51/572161451.db2.gz XCPPYJVDACJFJP-BWZBUEFSSA-N 1 1 177.238 2.418 10 0 AEAEMO CCCCCC[NH2+]C[C@H]1CCN(C)C1 37484538 572161663 /nfs/dbraw/zinc/16/16/63/572161663.db2.gz OPDHAIBJUAIQBM-GFCCVEGCSA-N 1 1 198.354 2.108 10 0 AEAEMO CCCC[C@H](N)C[NH2+][C@@H]1C[C@H]1CCC 300392985 572162571 /nfs/dbraw/zinc/16/25/71/572162571.db2.gz XJVISUUTKVEPGQ-GRYCIOLGSA-N 1 1 198.354 2.282 10 0 AEAEMO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)C(F)F 300392853 572161899 /nfs/dbraw/zinc/16/18/99/572161899.db2.gz XCPPYJVDACJFJP-PRJMDXOYSA-N 1 1 177.238 2.418 10 0 AEAEMO CCCC[N@@H+](CC)[C@@H]1CCCC[C@@H]1O 37490843 572162155 /nfs/dbraw/zinc/16/21/55/572162155.db2.gz OBUOKWCQQKPQGB-NEPJUHHUSA-N 1 1 199.338 2.412 10 0 AEAEMO CCNC[C@H](C)[N@@H+]1CCCCC[C@@H]1C 69945793 572162322 /nfs/dbraw/zinc/16/23/22/572162322.db2.gz WOPJBXDAJLIBHF-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCc1[nH+]ccn1[C@@H](C)COC 69963896 572162177 /nfs/dbraw/zinc/16/21/77/572162177.db2.gz MJDVCXMAJSQLBZ-VIFPVBQESA-N 1 1 182.267 2.043 10 0 AEAEMO CCCC[N@@H+](C)[C@@H]1CCCC[C@@H]1O 37490663 572162178 /nfs/dbraw/zinc/16/21/78/572162178.db2.gz JYWMEVKKTYPYQV-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO C[C@H]1CCCCC[N@@H+]1[C@@H](C)[C@@H](C)O 69945519 572162185 /nfs/dbraw/zinc/16/21/85/572162185.db2.gz OMAUHAJPPQRWQS-GARJFASQSA-N 1 1 185.311 2.020 10 0 AEAEMO CCC[C@@H](N)C[N@H+]1CCCCC[C@@H]1C 69944772 572162201 /nfs/dbraw/zinc/16/22/01/572162201.db2.gz GMQUVTXHCYGKMV-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@@H]([NH3+])CN1CCCCC[C@@H]1C 69944772 572162205 /nfs/dbraw/zinc/16/22/05/572162205.db2.gz GMQUVTXHCYGKMV-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[N@@H+](CC)[C@H]1CCC[C@@H]1O 37490112 572162220 /nfs/dbraw/zinc/16/22/20/572162220.db2.gz MUHBKGVOVRBSTC-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@@H](C[N@@H+]1CCCCC[C@@H]1C)NC 69944702 572162279 /nfs/dbraw/zinc/16/22/79/572162279.db2.gz JDXGJZOWGQYLSC-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](C[N@H+]1CCCCC[C@@H]1C)NC 69944702 572162283 /nfs/dbraw/zinc/16/22/83/572162283.db2.gz JDXGJZOWGQYLSC-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCNC[C@H](C)[N@H+]1CCCCC[C@@H]1C 69945793 572162326 /nfs/dbraw/zinc/16/23/26/572162326.db2.gz WOPJBXDAJLIBHF-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1[C@@H]1CCC[C@@H]1N 69944690 572162523 /nfs/dbraw/zinc/16/25/23/572162523.db2.gz RAGRDJNRYYTRBW-SDDRHHMPSA-N 1 1 196.338 2.131 10 0 AEAEMO C/C=C/Cn1cc[nH+]c1CCC 69964027 572162545 /nfs/dbraw/zinc/16/25/45/572162545.db2.gz WRMICWQURMXSOE-HWKANZROSA-N 1 1 164.252 2.412 10 0 AEAEMO CCCc1[nH+]ccn1[C@@H](C)[C@H](O)CC 69964415 572162553 /nfs/dbraw/zinc/16/25/53/572162553.db2.gz SHUAFCMUTCTPDB-VHSXEESVSA-N 1 1 196.294 2.168 10 0 AEAEMO CCCc1[nH+]ccn1[C@H](C)[C@H](O)CC 69964417 572163109 /nfs/dbraw/zinc/16/31/09/572163109.db2.gz SHUAFCMUTCTPDB-NXEZZACHSA-N 1 1 196.294 2.168 10 0 AEAEMO CC[C@@H](O)[C@@H](C)[N@H+]1CCCCC[C@@H]1C 69945521 572163191 /nfs/dbraw/zinc/16/31/91/572163191.db2.gz NDMFXWWJXORXNB-QJPTWQEYSA-N 1 1 199.338 2.410 10 0 AEAEMO C[C@@H]1CCCCC[N@@H+]1CCNC1CC1 69944718 572163515 /nfs/dbraw/zinc/16/35/15/572163515.db2.gz CHCCLVCHDQDBJN-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1CCNC1CC1 69944718 572163518 /nfs/dbraw/zinc/16/35/18/572163518.db2.gz CHCCLVCHDQDBJN-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CCCCCC[NH2+]C[C@@H]1CCN(C)C1 37484537 572163244 /nfs/dbraw/zinc/16/32/44/572163244.db2.gz OPDHAIBJUAIQBM-LBPRGKRZSA-N 1 1 198.354 2.108 10 0 AEAEMO CCCc1[nH+]ccn1[C@H](C)COC 69963897 572163344 /nfs/dbraw/zinc/16/33/44/572163344.db2.gz MJDVCXMAJSQLBZ-SECBINFHSA-N 1 1 182.267 2.043 10 0 AEAEMO CC[C@@H](N)[C@H](C)[N@H+]1CCCCC[C@@H]1C 69944698 572163412 /nfs/dbraw/zinc/16/34/12/572163412.db2.gz DMWIRYXWLWQKNG-SDDRHHMPSA-N 1 1 198.354 2.377 10 0 AEAEMO CCCC[N@@H+](CC)[C@@H]1CCC[C@@H]1O 37490111 572163445 /nfs/dbraw/zinc/16/34/45/572163445.db2.gz MUHBKGVOVRBSTC-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)C(F)F 300392855 572163466 /nfs/dbraw/zinc/16/34/66/572163466.db2.gz XCPPYJVDACJFJP-RNJXMRFFSA-N 1 1 177.238 2.418 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1[C@@H]1CCC[C@@H]1O 69945400 572163468 /nfs/dbraw/zinc/16/34/68/572163468.db2.gz JDKYVSWZLOSWFV-TUAOUCFPSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[C@@H](O)[C@H](C)[N@H+]1CCCCC[C@@H]1C 69945524 572163740 /nfs/dbraw/zinc/16/37/40/572163740.db2.gz NDMFXWWJXORXNB-SDDRHHMPSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[C@@H](CN)[N@H+]1CCCCC[C@@H]1C 69944534 572163870 /nfs/dbraw/zinc/16/38/70/572163870.db2.gz LUSWUVWBLHWXPT-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCc1[nH+]ccn1CC(F)(F)F 69963956 572163971 /nfs/dbraw/zinc/16/39/71/572163971.db2.gz MQAXIJXHMHWGQY-UHFFFAOYSA-N 1 1 192.184 2.398 10 0 AEAEMO CCNC[C@@H](C)[N@@H+]1CCCCC[C@@H]1C 69945792 572164009 /nfs/dbraw/zinc/16/40/09/572164009.db2.gz WOPJBXDAJLIBHF-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCNC[C@@H](C)[N@H+]1CCCCC[C@@H]1C 69945792 572164012 /nfs/dbraw/zinc/16/40/12/572164012.db2.gz WOPJBXDAJLIBHF-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCc1[nH+]ccn1Cc1ccco1 69963908 572164330 /nfs/dbraw/zinc/16/43/30/572164330.db2.gz BYLVTYWXVCQWAY-UHFFFAOYSA-N 1 1 190.246 2.477 10 0 AEAEMO CCCc1[nH+]ccn1[C@H](C)[C@@H](O)CC 69964421 572164363 /nfs/dbraw/zinc/16/43/63/572164363.db2.gz SHUAFCMUTCTPDB-ZJUUUORDSA-N 1 1 196.294 2.168 10 0 AEAEMO CC[C@H](CNC)[N@@H+]1CCCCC[C@@H]1C 69945807 572164394 /nfs/dbraw/zinc/16/43/94/572164394.db2.gz VSJGZRBIDXVLGF-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](CNC)[N@H+]1CCCCC[C@@H]1C 69945807 572164399 /nfs/dbraw/zinc/16/43/99/572164399.db2.gz VSJGZRBIDXVLGF-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO C[C@H]1CCCCC[N@@H+]1CCNC1CC1 69944719 572164783 /nfs/dbraw/zinc/16/47/83/572164783.db2.gz CHCCLVCHDQDBJN-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1CCNC1CC1 69944719 572164786 /nfs/dbraw/zinc/16/47/86/572164786.db2.gz CHCCLVCHDQDBJN-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H](C[N@@H+]1CCCCC[C@@H]1C)NC 69944703 572164675 /nfs/dbraw/zinc/16/46/75/572164675.db2.gz JDXGJZOWGQYLSC-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C[N@H+]1CCCCC[C@@H]1C)NC 69944703 572164680 /nfs/dbraw/zinc/16/46/80/572164680.db2.gz JDXGJZOWGQYLSC-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@H+](C)CC(=O)c1ccccc1 37652157 572165752 /nfs/dbraw/zinc/16/57/52/572165752.db2.gz AOTIAMVXMFCUPN-UHFFFAOYSA-N 1 1 191.274 2.211 10 0 AEAEMO CCC[N@@H+](C)CC(=O)c1ccccc1 37652157 572165753 /nfs/dbraw/zinc/16/57/53/572165753.db2.gz AOTIAMVXMFCUPN-UHFFFAOYSA-N 1 1 191.274 2.211 10 0 AEAEMO CCCCCC[N@H+]1CCC(=O)[C@@H](C)C1 70019980 572166244 /nfs/dbraw/zinc/16/62/44/572166244.db2.gz QVBWZFLHQLOLSF-NSHDSACASA-N 1 1 197.322 2.478 10 0 AEAEMO CC[C@@H]1C[C@@H]1[NH2+]Cc1nc(C)c(C)o1 300394538 572166190 /nfs/dbraw/zinc/16/61/90/572166190.db2.gz ZGQANEYTUHGKRT-ZJUUUORDSA-N 1 1 194.278 2.180 10 0 AEAEMO CCCCCC[N@@H+]1CCNC[C@H](C)C1 70020262 572166825 /nfs/dbraw/zinc/16/68/25/572166825.db2.gz OTRJXZKUGPUIHT-LBPRGKRZSA-N 1 1 198.354 2.108 10 0 AEAEMO CCCCCC[N@H+]1CCNC[C@H](C)C1 70020262 572166828 /nfs/dbraw/zinc/16/68/28/572166828.db2.gz OTRJXZKUGPUIHT-LBPRGKRZSA-N 1 1 198.354 2.108 10 0 AEAEMO CCCCCCN1CC[NH2+]C[C@H](C)C1 70020262 572166830 /nfs/dbraw/zinc/16/68/30/572166830.db2.gz OTRJXZKUGPUIHT-LBPRGKRZSA-N 1 1 198.354 2.108 10 0 AEAEMO CC[C@](C)(CCO)[N@H+]1CCC[C@H]1C 300397035 572167118 /nfs/dbraw/zinc/16/71/18/572167118.db2.gz JNSXCZLQHBMEBD-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[C@@H]1C[C@@H]1[NH2+]CC(N)(CC)CC 300395063 572167193 /nfs/dbraw/zinc/16/71/93/572167193.db2.gz ZYVFKGGFUCMVGX-MNOVXSKESA-N 1 1 198.354 2.282 10 0 AEAEMO CCCCCC[N@H+]1CCC(=O)[C@H](C)C1 70019976 572167787 /nfs/dbraw/zinc/16/77/87/572167787.db2.gz QVBWZFLHQLOLSF-LLVKDONJSA-N 1 1 197.322 2.478 10 0 AEAEMO CCCCCC[N@@H+]1CCNC[C@@H](C)C1 70020266 572167878 /nfs/dbraw/zinc/16/78/78/572167878.db2.gz OTRJXZKUGPUIHT-GFCCVEGCSA-N 1 1 198.354 2.108 10 0 AEAEMO CCCCCC[N@H+]1CCNC[C@@H](C)C1 70020266 572167880 /nfs/dbraw/zinc/16/78/80/572167880.db2.gz OTRJXZKUGPUIHT-GFCCVEGCSA-N 1 1 198.354 2.108 10 0 AEAEMO CCCCCCN1CC[NH2+]C[C@@H](C)C1 70020266 572167882 /nfs/dbraw/zinc/16/78/82/572167882.db2.gz OTRJXZKUGPUIHT-GFCCVEGCSA-N 1 1 198.354 2.108 10 0 AEAEMO CCCCC[N@@H+](C)[C@H]1CC[NH2+]C[C@@H]1C 70045601 572169851 /nfs/dbraw/zinc/16/98/51/572169851.db2.gz WCORUQPDRSRNKQ-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@@H]1CC[NH2+]C[C@@H]1C 70045578 572168606 /nfs/dbraw/zinc/16/86/06/572168606.db2.gz PRBCRYVKJJTBKF-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@H]1CC[NH2+]C[C@@H]1C 70045579 572168838 /nfs/dbraw/zinc/16/88/38/572168838.db2.gz PRBCRYVKJJTBKF-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)[C@@H]1CC[NH2+]C[C@@H]1C 70045597 572169411 /nfs/dbraw/zinc/16/94/11/572169411.db2.gz MWDXCQLSWIFBST-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@@H+](CCC(C)C)C1CC[NH2+]CC1 37653844 572169679 /nfs/dbraw/zinc/16/96/79/572169679.db2.gz NERFXMJEVXFUIF-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[N@H+](CCC(C)C)C1CCNCC1 37653844 572169690 /nfs/dbraw/zinc/16/96/90/572169690.db2.gz NERFXMJEVXFUIF-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[N@@H+](CCC(C)C)C1CCNCC1 37653844 572169692 /nfs/dbraw/zinc/16/96/92/572169692.db2.gz NERFXMJEVXFUIF-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCC[N@@H+](C)[C@@H]1CC[NH2+]C[C@@H]1C 70045600 572169799 /nfs/dbraw/zinc/16/97/99/572169799.db2.gz WCORUQPDRSRNKQ-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@@H]1CC[NH2+]C[C@@H]1C 70045599 572170184 /nfs/dbraw/zinc/17/01/84/572170184.db2.gz MWDXCQLSWIFBST-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CS[C@@H]1CCC[C@@H]1[NH2+]CC(F)F 235161095 572171658 /nfs/dbraw/zinc/17/16/58/572171658.db2.gz PBAZUWQOAZTHIV-NKWVEPMBSA-N 1 1 195.278 2.125 10 0 AEAEMO C[C@H]1CCC[N@H+]1[C@H](CCO)C(C)(C)C 300401712 572172480 /nfs/dbraw/zinc/17/24/80/572172480.db2.gz FEEXERZYFWJDOK-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H]1CCC[N@H+]1[C@H](CCO)C(C)(C)C 300401711 572172621 /nfs/dbraw/zinc/17/26/21/572172621.db2.gz FEEXERZYFWJDOK-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC(CC)[C@@H](O)C[N@H+]1CCC[C@H]1C 300400204 572172877 /nfs/dbraw/zinc/17/28/77/572172877.db2.gz PMQBADBFRHEHSE-PWSUYJOCSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H]1CCCCC[N@H+]1C1(CN)CC1 234068791 572173055 /nfs/dbraw/zinc/17/30/55/572173055.db2.gz CTYGCPYFYJAVKX-NSHDSACASA-N 1 1 196.338 2.132 10 0 AEAEMO CCC(CC)[C@H](O)C[N@H+]1CCC[C@H]1C 300400205 572173459 /nfs/dbraw/zinc/17/34/59/572173459.db2.gz PMQBADBFRHEHSE-ZYHUDNBSSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@H]1CCCC[C@@H]1O 37694073 572174119 /nfs/dbraw/zinc/17/41/19/572174119.db2.gz CGWYSWZEWORILT-NEPJUHHUSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@H]1CCCC[C@@H]1O 37693856 572174129 /nfs/dbraw/zinc/17/41/29/572174129.db2.gz QBWLMBYSLCXKFQ-RYUDHWBXSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[N@@H+](CC)[C@H]1CCCC[C@@H]1O 37693923 572174143 /nfs/dbraw/zinc/17/41/43/572174143.db2.gz NEKDKCQTDPVQBE-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@H]1CCC[C@@H]1O 37694071 572174169 /nfs/dbraw/zinc/17/41/69/572174169.db2.gz LCQBPTGDLGVDSC-MNOVXSKESA-N 1 1 185.311 2.020 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@H]1CCC[C@@H]1O 37693854 572174514 /nfs/dbraw/zinc/17/45/14/572174514.db2.gz QZTKTMNRLLNPFT-QWRGUYRKSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@H]1CCCC[C@@H]1O 37693832 572174615 /nfs/dbraw/zinc/17/46/15/572174615.db2.gz JVJIOFKWTZRFTM-RYUDHWBXSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCCC[N@@H+](C)[C@H]1CCC[C@@H]1O 37693480 572175116 /nfs/dbraw/zinc/17/51/16/572175116.db2.gz NGKUQFWZIVWJMI-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@@H]1CCCC[C@@H]1O 37693855 572175161 /nfs/dbraw/zinc/17/51/61/572175161.db2.gz QBWLMBYSLCXKFQ-NEPJUHHUSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@H]1CCCC[C@@H]1O 37694074 572175230 /nfs/dbraw/zinc/17/52/30/572175230.db2.gz CGWYSWZEWORILT-RYUDHWBXSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[N@@H+](C1CC1)[C@@H]1CCCC[C@@H]1O 37693935 572175240 /nfs/dbraw/zinc/17/52/40/572175240.db2.gz NHLNXUXNWLGJIZ-NEPJUHHUSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[N@@H+](CC(C)(C)O)C1CCCCC1 37693740 572175282 /nfs/dbraw/zinc/17/52/82/572175282.db2.gz FZXPMWXNCWOOPT-UHFFFAOYSA-N 1 1 199.338 2.412 10 0 AEAEMO CCCCC[N@@H+](C)[C@@H]1CCCC[C@@H]1O 37693481 572175380 /nfs/dbraw/zinc/17/53/80/572175380.db2.gz MTEZQSXMVFTYEP-NEPJUHHUSA-N 1 1 199.338 2.412 10 0 AEAEMO CCCCC[N@@H+](C)[C@@H]1CCC[C@@H]1O 37693479 572175603 /nfs/dbraw/zinc/17/56/03/572175603.db2.gz NGKUQFWZIVWJMI-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO CCCC[N@H+]1CCNCC1(CC)CC 82927347 572175739 /nfs/dbraw/zinc/17/57/39/572175739.db2.gz RMFNNMKEJZKAOP-UHFFFAOYSA-N 1 1 198.354 2.251 10 0 AEAEMO CCC[C@H]1C[N@@H+](CCC)C(C)(C)CN1 82935810 572175753 /nfs/dbraw/zinc/17/57/53/572175753.db2.gz UDYKQKOWRBGYAL-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1CN(CCC)C(C)(C)C[NH2+]1 82935810 572175756 /nfs/dbraw/zinc/17/57/56/572175756.db2.gz UDYKQKOWRBGYAL-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H]1CN[C@@H](C)C[N@H+]1CCC(C)C 82934892 572175765 /nfs/dbraw/zinc/17/57/65/572175765.db2.gz RNHXMJZJTJWSQN-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1C[N@@H+](C)C(CC)(CC)CN1 82935851 572175794 /nfs/dbraw/zinc/17/57/94/572175794.db2.gz KERWVOHUDKBILL-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]1CN(C)C(CC)(CC)C[NH2+]1 82935851 572175796 /nfs/dbraw/zinc/17/57/96/572175796.db2.gz KERWVOHUDKBILL-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@H+]1C[C@H](C(C)C)NC[C@@H]1C 82926447 572175816 /nfs/dbraw/zinc/17/58/16/572175816.db2.gz XQFNIMYEAHVQJT-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCCN1C[C@H](C(C)C)[NH2+]C[C@@H]1C 82926447 572175819 /nfs/dbraw/zinc/17/58/19/572175819.db2.gz XQFNIMYEAHVQJT-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CN[C@H](C)C[N@H+]1CCC(C)C 82934890 572176410 /nfs/dbraw/zinc/17/64/10/572176410.db2.gz RNHXMJZJTJWSQN-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCCC[N@H+]1CCN[C@](C)(CC)C1 82925883 572175839 /nfs/dbraw/zinc/17/58/39/572175839.db2.gz AGHXOHXKNOTMIL-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCN1CC[NH2+][C@](C)(CC)C1 82925883 572175842 /nfs/dbraw/zinc/17/58/42/572175842.db2.gz AGHXOHXKNOTMIL-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@@H]1CCC[C@@H]1O 37693853 572175876 /nfs/dbraw/zinc/17/58/76/572175876.db2.gz QZTKTMNRLLNPFT-MNOVXSKESA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@@H]1CCCC[C@@H]1O 37693820 572175884 /nfs/dbraw/zinc/17/58/84/572175884.db2.gz GMGAQIJYQDTXEK-TUAOUCFPSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[C@H]1C[N@@H+](CC(C)C)[C@@H](CC)CN1 82936522 572175912 /nfs/dbraw/zinc/17/59/12/572175912.db2.gz BXQGJLCRTBTDAN-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CCNC[C@@]1(C)CC 82927287 572175925 /nfs/dbraw/zinc/17/59/25/572175925.db2.gz JNVRMKQEPIHJBX-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](C)CN1CC[NH2+][C@H](CC)C1 82925127 572176452 /nfs/dbraw/zinc/17/64/52/572176452.db2.gz VLJUDFJVYCXTSD-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[N@@H+](C1CC1)[C@H]1CCCC[C@@H]1O 37693936 572175946 /nfs/dbraw/zinc/17/59/46/572175946.db2.gz NHLNXUXNWLGJIZ-RYUDHWBXSA-N 1 1 197.322 2.164 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@H]1CCC[C@@H]1O 37694072 572175985 /nfs/dbraw/zinc/17/59/85/572175985.db2.gz LCQBPTGDLGVDSC-QWRGUYRKSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@H](C)C[N@H+]1C[C@H](CC)NC[C@H]1C 82936454 572175993 /nfs/dbraw/zinc/17/59/93/572175993.db2.gz VBJNWMNEQMNDIP-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)CN1C[C@H](CC)[NH2+]C[C@H]1C 82936454 572175997 /nfs/dbraw/zinc/17/59/97/572175997.db2.gz VBJNWMNEQMNDIP-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)C[N@H+]1C[C@H](C)NC[C@H]1CC 82934949 572176007 /nfs/dbraw/zinc/17/60/07/572176007.db2.gz WRODQEQRRXRBMH-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@@H]1CCCC[C@@H]1O 37693831 572176055 /nfs/dbraw/zinc/17/60/55/572176055.db2.gz JVJIOFKWTZRFTM-NEPJUHHUSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](C)C[N@H+]1C[C@H](C)NC[C@@H]1CC 82934950 572177300 /nfs/dbraw/zinc/17/73/00/572177300.db2.gz WRODQEQRRXRBMH-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@@H+](CC)[C@@H]1CCCC[C@@H]1O 37693922 572176098 /nfs/dbraw/zinc/17/60/98/572176098.db2.gz NEKDKCQTDPVQBE-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@@H]1CCCC[C@@H]1O 37693468 572176123 /nfs/dbraw/zinc/17/61/23/572176123.db2.gz AVYCDUZPPCMDTF-TUAOUCFPSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCCCC[N@@H+]1CCN[C@@H](CC)C1 82925116 572176242 /nfs/dbraw/zinc/17/62/42/572176242.db2.gz JPWOGKGVUMKGFE-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCC[N@H+]1CCN[C@@H](CC)C1 82925116 572176245 /nfs/dbraw/zinc/17/62/45/572176245.db2.gz JPWOGKGVUMKGFE-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCC[N@@H+](C)[C@H]1CCCC[C@@H]1O 37693482 572176246 /nfs/dbraw/zinc/17/62/46/572176246.db2.gz MTEZQSXMVFTYEP-RYUDHWBXSA-N 1 1 199.338 2.412 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCN[C@@](C)(CC)C1 82926002 572176254 /nfs/dbraw/zinc/17/62/54/572176254.db2.gz VBIUYUYSUVYJRG-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)CN1CC[NH2+][C@@](C)(CC)C1 82926002 572176256 /nfs/dbraw/zinc/17/62/56/572176256.db2.gz VBIUYUYSUVYJRG-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[N@H+]1CCNC[C@H]1[C@@H](C)CC 82934570 572176269 /nfs/dbraw/zinc/17/62/69/572176269.db2.gz OQQQXDSYBISBST-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@@H]1O 37694083 572176288 /nfs/dbraw/zinc/17/62/88/572176288.db2.gz WTZWXFRBRUOEDL-AXFHLTTASA-N 1 1 185.311 2.020 10 0 AEAEMO CCCCC[N@H+]1C[C@@H](CC)NC[C@@H]1C 82936460 572176313 /nfs/dbraw/zinc/17/63/13/572176313.db2.gz JWISPBJTEZVBOO-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCCN1C[C@@H](CC)[NH2+]C[C@@H]1C 82936460 572176314 /nfs/dbraw/zinc/17/63/14/572176314.db2.gz JWISPBJTEZVBOO-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H]1C[N@@H+](CC(C)C)[C@H](CC)CN1 82936519 572176328 /nfs/dbraw/zinc/17/63/28/572176328.db2.gz BXQGJLCRTBTDAN-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[N@H+]1CCN[C@H](C(C)(C)C)C1 82925587 572176349 /nfs/dbraw/zinc/17/63/49/572176349.db2.gz AIMMCBRYYQZKLD-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCN1CC[NH2+][C@H](C(C)(C)C)C1 82925587 572176351 /nfs/dbraw/zinc/17/63/51/572176351.db2.gz AIMMCBRYYQZKLD-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCC[N@H+]1CCN[C@@](C)(CC)C1 82925880 572176361 /nfs/dbraw/zinc/17/63/61/572176361.db2.gz AGHXOHXKNOTMIL-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCN1CC[NH2+][C@@](C)(CC)C1 82925880 572176363 /nfs/dbraw/zinc/17/63/63/572176363.db2.gz AGHXOHXKNOTMIL-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CC[C@@H]1CN[C@H](C)C[N@H+]1CCC(C)C 82934889 572176367 /nfs/dbraw/zinc/17/63/67/572176367.db2.gz RNHXMJZJTJWSQN-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCCC[N@@H+]1CCN[C@@H](CCC)C1 82925237 572176378 /nfs/dbraw/zinc/17/63/78/572176378.db2.gz WVSUNYFBJFUITP-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCC[N@H+]1CCN[C@@H](CCC)C1 82925237 572176379 /nfs/dbraw/zinc/17/63/79/572176379.db2.gz WVSUNYFBJFUITP-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCC[C@H]1CNC(C)(C)C[N@H+]1CCC 82936161 572176442 /nfs/dbraw/zinc/17/64/42/572176442.db2.gz JKIXQRHYIJGTJB-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCN[C@H](CC)C1 82925127 572176449 /nfs/dbraw/zinc/17/64/49/572176449.db2.gz VLJUDFJVYCXTSD-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H]1C[N@@H+](C)[C@H]([C@@H](C)CC)CN1 82935737 572176511 /nfs/dbraw/zinc/17/65/11/572176511.db2.gz QFFWCPPDRMDZRU-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1CN(C)[C@H]([C@@H](C)CC)C[NH2+]1 82935737 572176514 /nfs/dbraw/zinc/17/65/14/572176514.db2.gz QFFWCPPDRMDZRU-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@H]1CCCC[C@@H]1O 37694085 572176539 /nfs/dbraw/zinc/17/65/39/572176539.db2.gz OVOWLXFUUMVZTO-TUAOUCFPSA-N 1 1 199.338 2.410 10 0 AEAEMO CCCCC[N@H+]1CCNC[C@@]1(C)CC 82927296 572176566 /nfs/dbraw/zinc/17/65/66/572176566.db2.gz KJRKLYRONNSIDC-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCN1CC[NH2+]C[C@@]1(C)CC 82927296 572176569 /nfs/dbraw/zinc/17/65/69/572176569.db2.gz KJRKLYRONNSIDC-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@@H]1CCC[C@@H]1O 37693818 572176646 /nfs/dbraw/zinc/17/66/46/572176646.db2.gz UKGIAIIRWRJRHN-AXFHLTTASA-N 1 1 185.311 2.020 10 0 AEAEMO CCCCC[N@H+]1CCN[C@H](C(C)C)C1 82925318 572176660 /nfs/dbraw/zinc/17/66/60/572176660.db2.gz FNWMDOKMOPVPJL-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCCN1CC[NH2+][C@H](C(C)C)C1 82925318 572176664 /nfs/dbraw/zinc/17/66/64/572176664.db2.gz FNWMDOKMOPVPJL-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[N@H+]1C[C@H](C)NC[C@@H]1CCC 82935013 572176693 /nfs/dbraw/zinc/17/66/93/572176693.db2.gz ARXJMSOEVNXXBD-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1C[N@@H+](C)C(CC)(CC)CN1 82935852 572176722 /nfs/dbraw/zinc/17/67/22/572176722.db2.gz KERWVOHUDKBILL-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1CN(C)C(CC)(CC)C[NH2+]1 82935852 572176726 /nfs/dbraw/zinc/17/67/26/572176726.db2.gz KERWVOHUDKBILL-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1C[N@@H+](CC(C)C)[C@H](C)CN1 82935606 572178013 /nfs/dbraw/zinc/17/80/13/572178013.db2.gz IIVORAYVFBVKKW-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[N@H+]1CCN[C@@H](C(C)(C)C)C1 82925589 572176900 /nfs/dbraw/zinc/17/69/00/572176900.db2.gz AIMMCBRYYQZKLD-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCN1CC[NH2+][C@@H](C(C)(C)C)C1 82925589 572176902 /nfs/dbraw/zinc/17/69/02/572176902.db2.gz AIMMCBRYYQZKLD-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC1(CC)C[N@@H+](CC(C)C)CCN1 82926014 572176910 /nfs/dbraw/zinc/17/69/10/572176910.db2.gz TYCHMHOEKQVTLD-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC1(CC)CN(CC(C)C)CC[NH2+]1 82926014 572176911 /nfs/dbraw/zinc/17/69/11/572176911.db2.gz TYCHMHOEKQVTLD-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H]1C[N@@H+](C)[C@H](CC(C)C)CN1 82935786 572176941 /nfs/dbraw/zinc/17/69/41/572176941.db2.gz STJPTXNNQMKSGO-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H]1CN(C)[C@H](CC(C)C)C[NH2+]1 82935786 572176944 /nfs/dbraw/zinc/17/69/44/572176944.db2.gz STJPTXNNQMKSGO-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCCC[N@H+]1C[C@H](C)NC[C@@H]1CC 82934957 572176962 /nfs/dbraw/zinc/17/69/62/572176962.db2.gz WSFOAHXCFMSAOJ-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCCN1C[C@H](C)[NH2+]C[C@@H]1CC 82934957 572176966 /nfs/dbraw/zinc/17/69/66/572176966.db2.gz WSFOAHXCFMSAOJ-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@@H+]1CCN[C@H](CC(C)C)C1 82925674 572176993 /nfs/dbraw/zinc/17/69/93/572176993.db2.gz IJOPTHDOHKRRRT-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[N@H+]1CCN[C@H](CC(C)C)C1 82925674 572176996 /nfs/dbraw/zinc/17/69/96/572176996.db2.gz IJOPTHDOHKRRRT-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H]1C[N@@H+](CCC(C)C)[C@H](C)CN1 82936415 572177055 /nfs/dbraw/zinc/17/70/55/572177055.db2.gz GBJSMEBNTCQABX-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CN(CCC(C)C)[C@H](C)C[NH2+]1 82936415 572177058 /nfs/dbraw/zinc/17/70/58/572177058.db2.gz GBJSMEBNTCQABX-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1C[N@@H+](C[C@@H](C)CC)CCN1 82925304 572178856 /nfs/dbraw/zinc/17/88/56/572178856.db2.gz FHXJLLMFCVRTLT-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H]1CN(C[C@@H](C)CC)CC[NH2+]1 82925304 572178858 /nfs/dbraw/zinc/17/88/58/572178858.db2.gz FHXJLLMFCVRTLT-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H]1CN[C@@H](C)C[N@H+]1CC(C)C 82935054 572177155 /nfs/dbraw/zinc/17/71/55/572177155.db2.gz VDFWERDQIAGDRC-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1C[N@@H+](CCC(C)C)[C@H](C)CN1 82936416 572177162 /nfs/dbraw/zinc/17/71/62/572177162.db2.gz GBJSMEBNTCQABX-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CN(CCC(C)C)[C@H](C)C[NH2+]1 82936416 572177165 /nfs/dbraw/zinc/17/71/65/572177165.db2.gz GBJSMEBNTCQABX-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCNC[C@@]1(C)CC 82927288 572177189 /nfs/dbraw/zinc/17/71/89/572177189.db2.gz JNVRMKQEPIHJBX-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H]1C[N@@H+](C)[C@H](CC(C)C)CN1 82935785 572177220 /nfs/dbraw/zinc/17/72/20/572177220.db2.gz STJPTXNNQMKSGO-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1CN(C)[C@H](CC(C)C)C[NH2+]1 82935785 572177223 /nfs/dbraw/zinc/17/72/23/572177223.db2.gz STJPTXNNQMKSGO-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1C[N@@H+](CCC(C)(C)C)CCN1 82925213 572177240 /nfs/dbraw/zinc/17/72/40/572177240.db2.gz ZSKUZXUWUQZXCL-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H]1CN(CCC(C)(C)C)CC[NH2+]1 82925213 572177244 /nfs/dbraw/zinc/17/72/44/572177244.db2.gz ZSKUZXUWUQZXCL-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H]1CN[C@H](C)C[N@H+]1CC(C)C 82935051 572177270 /nfs/dbraw/zinc/17/72/70/572177270.db2.gz VDFWERDQIAGDRC-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[N@H+]1CCNC[C@@H]1C(C)(C)C 82927105 572177318 /nfs/dbraw/zinc/17/73/18/572177318.db2.gz YOGFRTAFNRPIJF-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCN1CC[NH2+]C[C@@H]1C(C)(C)C 82927105 572177319 /nfs/dbraw/zinc/17/73/19/572177319.db2.gz YOGFRTAFNRPIJF-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[N@H+]1CCNC(CC)(CC)C1 82926016 572177323 /nfs/dbraw/zinc/17/73/23/572177323.db2.gz DRWPXXQPLKOWTC-UHFFFAOYSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCN1CC[NH2+]C(CC)(CC)C1 82926016 572177324 /nfs/dbraw/zinc/17/73/24/572177324.db2.gz DRWPXXQPLKOWTC-UHFFFAOYSA-N 1 1 198.354 2.251 10 0 AEAEMO CCC[N@H+]1C[C@@H](C)NC[C@@H]1[C@@H](C)CC 82935254 572177399 /nfs/dbraw/zinc/17/73/99/572177399.db2.gz OMCQUTIQHMGFIS-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@H+]1C[C@@H](C(C)C)NC[C@@H]1CC 82926685 572177421 /nfs/dbraw/zinc/17/74/21/572177421.db2.gz KZBDJOHVCSPKOS-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCN1C[C@@H](C(C)C)[NH2+]C[C@@H]1CC 82926685 572177424 /nfs/dbraw/zinc/17/74/24/572177424.db2.gz KZBDJOHVCSPKOS-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@H+]1C[C@H](C)NC[C@@H]1[C@@H](C)CC 82935253 572177428 /nfs/dbraw/zinc/17/74/28/572177428.db2.gz OMCQUTIQHMGFIS-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[N@H+]1CC(C)(C)NC[C@H]1CC 82936097 572177439 /nfs/dbraw/zinc/17/74/39/572177439.db2.gz HJCVCYSIVSNVEI-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H]1C[N@@H+](CCC(C)(C)C)CCN1 82925212 572177446 /nfs/dbraw/zinc/17/74/46/572177446.db2.gz ZSKUZXUWUQZXCL-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H]1CN(CCC(C)(C)C)CC[NH2+]1 82925212 572177450 /nfs/dbraw/zinc/17/74/50/572177450.db2.gz ZSKUZXUWUQZXCL-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCC[N@H+]1C[C@H](CC)NC[C@@H]1C 82936459 572177469 /nfs/dbraw/zinc/17/74/69/572177469.db2.gz JWISPBJTEZVBOO-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCCN1C[C@H](CC)[NH2+]C[C@@H]1C 82936459 572177471 /nfs/dbraw/zinc/17/74/71/572177471.db2.gz JWISPBJTEZVBOO-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@]1(C)C[N@@H+](CCC(C)C)CCN1 82925924 572177504 /nfs/dbraw/zinc/17/75/04/572177504.db2.gz PNWUNMFCBLWXNL-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@]1(C)CN(CCC(C)C)CC[NH2+]1 82925924 572177507 /nfs/dbraw/zinc/17/75/07/572177507.db2.gz PNWUNMFCBLWXNL-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO C[C@H]1C[NH2+][C@H](c2ccccc2Cl)O1 71507596 572177596 /nfs/dbraw/zinc/17/75/96/572177596.db2.gz RYGHAORRWJZXKK-XVKPBYJWSA-N 1 1 197.665 2.347 10 0 AEAEMO CCC[C@H]1C[N@@H+](CC)[C@H](C(C)C)CN1 82935720 572177609 /nfs/dbraw/zinc/17/76/09/572177609.db2.gz IEAMVFSYWGTWSV-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H]1CN(CC)[C@H](C(C)C)C[NH2+]1 82935720 572177611 /nfs/dbraw/zinc/17/76/11/572177611.db2.gz IEAMVFSYWGTWSV-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1C[N@@H+](CCC)C(C)(C)CN1 82935809 572177649 /nfs/dbraw/zinc/17/76/49/572177649.db2.gz UDYKQKOWRBGYAL-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]1CN(CCC)C(C)(C)C[NH2+]1 82935809 572177654 /nfs/dbraw/zinc/17/76/54/572177654.db2.gz UDYKQKOWRBGYAL-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1C[N@@H+](C)[C@H]([C@@H](C)CC)CN1 82935738 572177661 /nfs/dbraw/zinc/17/76/61/572177661.db2.gz QFFWCPPDRMDZRU-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H]1CN(C)[C@H]([C@@H](C)CC)C[NH2+]1 82935738 572177666 /nfs/dbraw/zinc/17/76/66/572177666.db2.gz QFFWCPPDRMDZRU-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC1(CC)CNCC[N@H+]1CC(C)C 82927364 572177672 /nfs/dbraw/zinc/17/76/72/572177672.db2.gz FMYXXIFUEKHPCM-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCC[N@H+]1C[C@@H](C)NC[C@@H]1CC 82934958 572177678 /nfs/dbraw/zinc/17/76/78/572177678.db2.gz WSFOAHXCFMSAOJ-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCCN1C[C@@H](C)[NH2+]C[C@@H]1CC 82934958 572177680 /nfs/dbraw/zinc/17/76/80/572177680.db2.gz WSFOAHXCFMSAOJ-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1C[N@@H+](CC)[C@@](C)(CC)CN1 82935828 572177697 /nfs/dbraw/zinc/17/76/97/572177697.db2.gz IXELMXVWFZAVFI-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1CN(CC)[C@@](C)(CC)C[NH2+]1 82935828 572177699 /nfs/dbraw/zinc/17/76/99/572177699.db2.gz IXELMXVWFZAVFI-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@H+]1C[C@@H](C)NC[C@@]1(C)CC 82935326 572177731 /nfs/dbraw/zinc/17/77/31/572177731.db2.gz YJIFCBPSUROTFY-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]1C[N@@H+](CC)[C@H](C(C)C)CN1 82935719 572177738 /nfs/dbraw/zinc/17/77/38/572177738.db2.gz IEAMVFSYWGTWSV-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1CN(CC)[C@H](C(C)C)C[NH2+]1 82935719 572177741 /nfs/dbraw/zinc/17/77/41/572177741.db2.gz IEAMVFSYWGTWSV-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1CN[C@@H](C)C[N@H+]1CC(C)C 82935053 572177782 /nfs/dbraw/zinc/17/77/82/572177782.db2.gz VDFWERDQIAGDRC-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H]1CN[C@H](CCC)C[N@H+]1CC 82935680 572177845 /nfs/dbraw/zinc/17/78/45/572177845.db2.gz YNRVIBPFICBPTI-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1C[NH2+][C@H](CCC)CN1CC 82935680 572177847 /nfs/dbraw/zinc/17/78/47/572177847.db2.gz YNRVIBPFICBPTI-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C)C[N@H+]1C[C@@H](CC)NC[C@H]1C 82936453 572177877 /nfs/dbraw/zinc/17/78/77/572177877.db2.gz VBJNWMNEQMNDIP-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)CN1C[C@@H](CC)[NH2+]C[C@H]1C 82936453 572177879 /nfs/dbraw/zinc/17/78/79/572177879.db2.gz VBJNWMNEQMNDIP-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H]1CN[C@H](C)C[N@H+]1CC(C)C 82935052 572177903 /nfs/dbraw/zinc/17/79/03/572177903.db2.gz VDFWERDQIAGDRC-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H]1C[N@@H+](CC)[C@@H](CCC)CN1 82935682 572177914 /nfs/dbraw/zinc/17/79/14/572177914.db2.gz YNRVIBPFICBPTI-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1CN(CC)[C@@H](CCC)C[NH2+]1 82935682 572177917 /nfs/dbraw/zinc/17/79/17/572177917.db2.gz YNRVIBPFICBPTI-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@H+]1CC(C)(C)NC[C@@H]1CC 82936096 572177930 /nfs/dbraw/zinc/17/79/30/572177930.db2.gz HJCVCYSIVSNVEI-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C)C[N@H+]1C[C@@H](C)NC[C@H]1CC 82934947 572177953 /nfs/dbraw/zinc/17/79/53/572177953.db2.gz WRODQEQRRXRBMH-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1C[N@@H+](CC)[C@H](CCC)CN1 82935679 572177972 /nfs/dbraw/zinc/17/79/72/572177972.db2.gz YNRVIBPFICBPTI-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]1CN(CC)[C@H](CCC)C[NH2+]1 82935679 572177975 /nfs/dbraw/zinc/17/79/75/572177975.db2.gz YNRVIBPFICBPTI-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]1C[N@@H+](CC)[C@@](C)(CC)CN1 82935827 572177991 /nfs/dbraw/zinc/17/79/91/572177991.db2.gz IXELMXVWFZAVFI-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]1CN(CC)[C@@](C)(CC)C[NH2+]1 82935827 572177993 /nfs/dbraw/zinc/17/79/93/572177993.db2.gz IXELMXVWFZAVFI-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1CN(CC(C)C)[C@H](C)C[NH2+]1 82935606 572178016 /nfs/dbraw/zinc/17/80/16/572178016.db2.gz IIVORAYVFBVKKW-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@]1(C)CNCC[N@H+]1CCC(C)C 82927225 572178030 /nfs/dbraw/zinc/17/80/30/572178030.db2.gz XEQWBIYZYHIWLZ-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H]1C[N@@H+](CC)[C@H](CCC)CN1 82935681 572178041 /nfs/dbraw/zinc/17/80/41/572178041.db2.gz YNRVIBPFICBPTI-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1CN(CC)[C@H](CCC)C[NH2+]1 82935681 572178043 /nfs/dbraw/zinc/17/80/43/572178043.db2.gz YNRVIBPFICBPTI-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1C[N@@H+](C[C@@H](C)CC)CCN1 82925305 572178099 /nfs/dbraw/zinc/17/80/99/572178099.db2.gz FHXJLLMFCVRTLT-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H]1CN(C[C@@H](C)CC)CC[NH2+]1 82925305 572178104 /nfs/dbraw/zinc/17/81/04/572178104.db2.gz FHXJLLMFCVRTLT-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H]1CNC(C)(C)C[N@H+]1CCC 82936160 572178188 /nfs/dbraw/zinc/17/81/88/572178188.db2.gz JKIXQRHYIJGTJB-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@@H+]1CCN[C@@H](CC(C)C)C1 82925676 572178200 /nfs/dbraw/zinc/17/82/00/572178200.db2.gz IJOPTHDOHKRRRT-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[N@H+]1CCN[C@@H](CC(C)C)C1 82925676 572178203 /nfs/dbraw/zinc/17/82/03/572178203.db2.gz IJOPTHDOHKRRRT-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCC[N@H+]1CCNC[C@]1(C)CC 82927298 572178291 /nfs/dbraw/zinc/17/82/91/572178291.db2.gz KJRKLYRONNSIDC-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCN1CC[NH2+]C[C@]1(C)CC 82927298 572178294 /nfs/dbraw/zinc/17/82/94/572178294.db2.gz KJRKLYRONNSIDC-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCN[C@H](CC)C1 82925128 572178304 /nfs/dbraw/zinc/17/83/04/572178304.db2.gz VLJUDFJVYCXTSD-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)CN1CC[NH2+][C@H](CC)C1 82925128 572178309 /nfs/dbraw/zinc/17/83/09/572178309.db2.gz VLJUDFJVYCXTSD-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H]1CN[C@@H](C)C[N@H+]1CCC(C)C 82934891 572178358 /nfs/dbraw/zinc/17/83/58/572178358.db2.gz RNHXMJZJTJWSQN-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@@H+]1C[C@@H](CC(C)C)NC[C@@H]1C 82937182 572179389 /nfs/dbraw/zinc/17/93/89/572179389.db2.gz VLYKFCNJULEPIL-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@H+]1C[C@@H](CC(C)C)NC[C@@H]1C 82937182 572179391 /nfs/dbraw/zinc/17/93/91/572179391.db2.gz VLYKFCNJULEPIL-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCCC[N@@H+]1CCN[C@H](CCC)C1 82925236 572178420 /nfs/dbraw/zinc/17/84/20/572178420.db2.gz WVSUNYFBJFUITP-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCC[N@H+]1CCN[C@H](CCC)C1 82925236 572178424 /nfs/dbraw/zinc/17/84/24/572178424.db2.gz WVSUNYFBJFUITP-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CC[C@H]1CN[C@H](CC)C[N@H+]1CC(C)C 82936520 572178494 /nfs/dbraw/zinc/17/84/94/572178494.db2.gz BXQGJLCRTBTDAN-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1CN[C@](C)(CC)C[N@H+]1CC 82937773 572179604 /nfs/dbraw/zinc/17/96/04/572179604.db2.gz WQHMUHVQZDOFAX-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]1CNC(CC)(CC)C[N@H+]1C 82938608 572179919 /nfs/dbraw/zinc/17/99/19/572179919.db2.gz MIOOOLHJRPDSLU-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@H+]1CCNC[C@H]1C(C)(C)C 82927106 572178592 /nfs/dbraw/zinc/17/85/92/572178592.db2.gz YOGFRTAFNRPIJF-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCN1CC[NH2+]C[C@H]1C(C)(C)C 82927106 572178596 /nfs/dbraw/zinc/17/85/96/572178596.db2.gz YOGFRTAFNRPIJF-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+](CC)[C@H](C)CC 82946831 572179985 /nfs/dbraw/zinc/17/99/85/572179985.db2.gz DYYUKHRTFXGODF-ZJUUUORDSA-N 1 1 185.311 2.474 10 0 AEAEMO CCC[C@@H]1C[N@@H+](CC(C)C)[C@H](C)CN1 82935605 572178667 /nfs/dbraw/zinc/17/86/67/572178667.db2.gz IIVORAYVFBVKKW-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1CN(CC(C)C)[C@H](C)C[NH2+]1 82935605 572178669 /nfs/dbraw/zinc/17/86/69/572178669.db2.gz IIVORAYVFBVKKW-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[N@H+]1C[C@@H](C)NC[C@@H]1CCC 82935014 572178760 /nfs/dbraw/zinc/17/87/60/572178760.db2.gz ARXJMSOEVNXXBD-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C)C[N@H+]1C[C@@H](C)NC[C@@H]1CC 82934948 572178772 /nfs/dbraw/zinc/17/87/72/572178772.db2.gz WRODQEQRRXRBMH-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H]1C[NH2+][C@H](c2ccccc2Cl)O1 71507595 572178795 /nfs/dbraw/zinc/17/87/95/572178795.db2.gz RYGHAORRWJZXKK-XCBNKYQSSA-N 1 1 197.665 2.347 10 0 AEAEMO CCCC[N@H+]1C[C@@H](C(C)C)NC[C@@H]1C 82926449 572178801 /nfs/dbraw/zinc/17/88/01/572178801.db2.gz XQFNIMYEAHVQJT-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCCN1C[C@@H](C(C)C)[NH2+]C[C@@H]1C 82926449 572178804 /nfs/dbraw/zinc/17/88/04/572178804.db2.gz XQFNIMYEAHVQJT-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@]1(C)C[N@@H+](CCC(C)C)CCN1 82925925 572178896 /nfs/dbraw/zinc/17/88/96/572178896.db2.gz PNWUNMFCBLWXNL-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@]1(C)CN(CCC(C)C)CC[NH2+]1 82925925 572178897 /nfs/dbraw/zinc/17/88/97/572178897.db2.gz PNWUNMFCBLWXNL-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCCN1C[C@@H](C)C[NH2+][C@@H](C)C1 249789368 572178932 /nfs/dbraw/zinc/17/89/32/572178932.db2.gz JAUCMBZPHLVZOF-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCCC[N@H+]1CCNC(C)(C)C1 82925773 572178958 /nfs/dbraw/zinc/17/89/58/572178958.db2.gz BTBBZJAUZVRLPL-UHFFFAOYSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCCN1CC[NH2+]C(C)(C)C1 82925773 572178959 /nfs/dbraw/zinc/17/89/59/572178959.db2.gz BTBBZJAUZVRLPL-UHFFFAOYSA-N 1 1 198.354 2.251 10 0 AEAEMO CCC[N@H+]1C[C@H](C(C)C)NC[C@@H]1CC 82926683 572178963 /nfs/dbraw/zinc/17/89/63/572178963.db2.gz KZBDJOHVCSPKOS-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCN1C[C@H](C(C)C)[NH2+]C[C@@H]1CC 82926683 572178967 /nfs/dbraw/zinc/17/89/67/572178967.db2.gz KZBDJOHVCSPKOS-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[N@H+]1C[C@H](C)NC[C@@]1(C)CC 82935325 572179035 /nfs/dbraw/zinc/17/90/35/572179035.db2.gz YJIFCBPSUROTFY-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@]1(C)CNCC[N@H+]1CCC(C)C 82927228 572179049 /nfs/dbraw/zinc/17/90/49/572179049.db2.gz XEQWBIYZYHIWLZ-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCCN1C[C@H](C)[NH2+]C[C@@H](C)C1 249789365 572179316 /nfs/dbraw/zinc/17/93/16/572179316.db2.gz JAUCMBZPHLVZOF-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC(=O)[C@H](C)[N@@H+](CC1CC1)C1CC1 82947858 572179376 /nfs/dbraw/zinc/17/93/76/572179376.db2.gz PJNKJXZXQCNHMQ-VIFPVBQESA-N 1 1 195.306 2.228 10 0 AEAEMO CCC[C@H]1C[N@@H+](CCC)[C@H](C)CCN1 82943092 572179401 /nfs/dbraw/zinc/17/94/01/572179401.db2.gz SCZKPRJQDXUBEI-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1CN(CCC)[C@H](C)CC[NH2+]1 82943092 572179402 /nfs/dbraw/zinc/17/94/02/572179402.db2.gz SCZKPRJQDXUBEI-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1CN[C@H](CC)C[N@H+]1CCC 82936622 572179453 /nfs/dbraw/zinc/17/94/53/572179453.db2.gz HDGBGKFJEYLLFZ-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1C[NH2+][C@H](CC)CN1CCC 82936622 572179455 /nfs/dbraw/zinc/17/94/55/572179455.db2.gz HDGBGKFJEYLLFZ-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)[C@H](C)[N@H+]1CC[C@H](CO)C1 82946023 572179525 /nfs/dbraw/zinc/17/95/25/572179525.db2.gz IWMNRLCSKMIPEN-QWRGUYRKSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)CC[C@@H](C)[N@H+]1CC[C@H](CO)C1 82945785 572179546 /nfs/dbraw/zinc/17/95/46/572179546.db2.gz ZQNUNTKKCNOWQJ-NEPJUHHUSA-N 1 1 199.338 2.125 10 0 AEAEMO CCCc1[nH+]ccn1[C@H](C)C(=O)CC 82948263 572179589 /nfs/dbraw/zinc/17/95/89/572179589.db2.gz CTMCXISTVMCOMX-SECBINFHSA-N 1 1 194.278 2.376 10 0 AEAEMO CCC[C@@H]1C[NH2+][C@](C)(CC)CN1CC 82937773 572179607 /nfs/dbraw/zinc/17/96/07/572179607.db2.gz WQHMUHVQZDOFAX-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@H+]1C[C@@](C)(CC)NC[C@@H]1C 82937667 572179620 /nfs/dbraw/zinc/17/96/20/572179620.db2.gz ZFHZFFSYXXJONC-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@@H+](CC)[C@@H](C)C(=O)CC 82946663 572180802 /nfs/dbraw/zinc/18/08/02/572180802.db2.gz MFOVJTNGPBVHBJ-JTQLQIEISA-N 1 1 185.311 2.476 10 0 AEAEMO CCCCN1C[C@@](C)(CC)[NH2+]C[C@@H]1C 82937667 572179627 /nfs/dbraw/zinc/17/96/27/572179627.db2.gz ZFHZFFSYXXJONC-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)[C@@H](C)[N@H+]1CC[C@H](CO)C1 82946021 572179649 /nfs/dbraw/zinc/17/96/49/572179649.db2.gz IWMNRLCSKMIPEN-MNOVXSKESA-N 1 1 199.338 2.125 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+](C)C[C@@H](C)CC 82946841 572179692 /nfs/dbraw/zinc/17/96/92/572179692.db2.gz PZTWBZSDLYJGQF-UWVGGRQHSA-N 1 1 185.311 2.332 10 0 AEAEMO CCCC[N@H+]1CCCN[C@@H](CCC)C1 82941545 572180808 /nfs/dbraw/zinc/18/08/08/572180808.db2.gz VXHPJXCRLSKHQG-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCN1CCC[NH2+][C@@H](CCC)C1 82941545 572180810 /nfs/dbraw/zinc/18/08/10/572180810.db2.gz VXHPJXCRLSKHQG-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCC[N@H+]1C[C@](C)(CC)NC[C@@H]1CC 82937742 572179798 /nfs/dbraw/zinc/17/97/98/572179798.db2.gz DHOHSEYSUHCNQF-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(=O)[C@H](C)[N@@H+](C)[C@@H](C)C(C)C 82946870 572179807 /nfs/dbraw/zinc/17/98/07/572179807.db2.gz UKNQJOYDQGWKEC-UWVGGRQHSA-N 1 1 185.311 2.330 10 0 AEAEMO CCC[C@H]1CN[C@H](CC)C[N@H+]1C(C)C 82936614 572179821 /nfs/dbraw/zinc/17/98/21/572179821.db2.gz CXEFBWADJMZUIA-NEPJUHHUSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@H]1C[NH2+][C@H](CC)CN1C(C)C 82936614 572179825 /nfs/dbraw/zinc/17/98/25/572179825.db2.gz CXEFBWADJMZUIA-NEPJUHHUSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(=O)[C@H](C)[N@@H+](C)CCC(C)C 82946986 572179877 /nfs/dbraw/zinc/17/98/77/572179877.db2.gz MAAADDBSYFXQHV-JTQLQIEISA-N 1 1 185.311 2.332 10 0 AEAEMO CCC(=O)[C@H](C)[N@@H+](CC)CC(C)C 82946829 572179892 /nfs/dbraw/zinc/17/98/92/572179892.db2.gz KMZANTLMUKHZPO-JTQLQIEISA-N 1 1 185.311 2.332 10 0 AEAEMO CCC[C@@H]1C[NH2+]C(CC)(CC)CN1C 82938608 572179921 /nfs/dbraw/zinc/17/99/21/572179921.db2.gz MIOOOLHJRPDSLU-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+](C)[C@H](C)CC 82946823 572179926 /nfs/dbraw/zinc/17/99/26/572179926.db2.gz LEYGREKIBSAHRI-BDAKNGLRSA-N 1 1 171.284 2.084 10 0 AEAEMO CCC(=O)[C@@H](C)[N@@H+](C)CC1CCC1 82947668 572179975 /nfs/dbraw/zinc/17/99/75/572179975.db2.gz JGOPDNRCQNVLBI-SECBINFHSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CC 82946945 572180013 /nfs/dbraw/zinc/18/00/13/572180013.db2.gz ULVAARQXIWKULV-UWVGGRQHSA-N 1 1 183.295 2.228 10 0 AEAEMO CCC[N@H+]1C[C@H](CC)NC[C@@H]1C(C)C 82936667 572180032 /nfs/dbraw/zinc/18/00/32/572180032.db2.gz JRQNWXRNTXORFD-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1C[N@@H+](CCC(C)C)CCCN1 82941846 572180829 /nfs/dbraw/zinc/18/08/29/572180829.db2.gz CDMJTSDYTHMFOI-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H]1CN(CCC(C)C)CCC[NH2+]1 82941846 572180830 /nfs/dbraw/zinc/18/08/30/572180830.db2.gz CDMJTSDYTHMFOI-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCCN[C@@H](CC)C1 82941912 572180084 /nfs/dbraw/zinc/18/00/84/572180084.db2.gz HKEAMGRKBDVQGJ-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)CC[C@H](C)[N@H+]1CC[C@H](CO)C1 82945787 572180125 /nfs/dbraw/zinc/18/01/25/572180125.db2.gz ZQNUNTKKCNOWQJ-RYUDHWBXSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C 82947195 572180207 /nfs/dbraw/zinc/18/02/07/572180207.db2.gz MLEJNUZXRWZOPN-VIFPVBQESA-N 1 1 185.311 2.332 10 0 AEAEMO CC[C@H]1C[N@@H+](CCC(C)C)CCCN1 82941847 572180231 /nfs/dbraw/zinc/18/02/31/572180231.db2.gz CDMJTSDYTHMFOI-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H]1CN(CCC(C)C)CCC[NH2+]1 82941847 572180236 /nfs/dbraw/zinc/18/02/36/572180236.db2.gz CDMJTSDYTHMFOI-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[N@H+]1CCCN[C@@](C)(CC)C1 82942073 572180286 /nfs/dbraw/zinc/18/02/86/572180286.db2.gz WKWVATJRUASJRL-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCN1CCC[NH2+][C@@](C)(CC)C1 82942073 572180290 /nfs/dbraw/zinc/18/02/90/572180290.db2.gz WKWVATJRUASJRL-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCC[N@H+]1CCCN[C@H](CCC)C1 82941543 572180304 /nfs/dbraw/zinc/18/03/04/572180304.db2.gz VXHPJXCRLSKHQG-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCN1CCC[NH2+][C@H](CCC)C1 82941543 572180309 /nfs/dbraw/zinc/18/03/09/572180309.db2.gz VXHPJXCRLSKHQG-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CCC(=O)[C@H](C)[N@@H+](C)C(C)(C)CC 82947815 572180360 /nfs/dbraw/zinc/18/03/60/572180360.db2.gz NYEGAYVTJZRWLW-VIFPVBQESA-N 1 1 185.311 2.474 10 0 AEAEMO CC[C@H](C)[C@@H]1C[N@H+](CC)[C@@H](CC)CN1 82937462 572180364 /nfs/dbraw/zinc/18/03/64/572180364.db2.gz ABRJXELTFQUGRE-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@@H]1C[N@@H+](CC)[C@@H](CC)CN1 82937462 572180365 /nfs/dbraw/zinc/18/03/65/572180365.db2.gz ABRJXELTFQUGRE-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCCC[N@H+]1CCCN[C@@H](CC)C1 82941926 572180368 /nfs/dbraw/zinc/18/03/68/572180368.db2.gz ZUUWRJJSRQJLBZ-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCN1CCC[NH2+][C@@H](CC)C1 82941926 572180369 /nfs/dbraw/zinc/18/03/69/572180369.db2.gz ZUUWRJJSRQJLBZ-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)C1CC1 82946865 572180404 /nfs/dbraw/zinc/18/04/04/572180404.db2.gz QRFOXQMGXJZQMY-DTWKUNHWSA-N 1 1 183.295 2.084 10 0 AEAEMO CCC[N@@H+](CC)[C@@H](C)C(=O)CC 82946803 572180425 /nfs/dbraw/zinc/18/04/25/572180425.db2.gz UKYIDRPLUJKOOO-VIFPVBQESA-N 1 1 171.284 2.086 10 0 AEAEMO CC[C@H]1C[N@@H+](CC)[C@H]([C@@H](C)CC)CN1 82936684 572180446 /nfs/dbraw/zinc/18/04/46/572180446.db2.gz YOUSCHFWSISZKT-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CN(CC)[C@H]([C@@H](C)CC)C[NH2+]1 82936684 572180447 /nfs/dbraw/zinc/18/04/47/572180447.db2.gz YOUSCHFWSISZKT-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(=O)[C@@H](C)[N@@H+](CC1CC1)C(C)C 82947107 572180452 /nfs/dbraw/zinc/18/04/52/572180452.db2.gz DDZJNYCJBRLUQD-SNVBAGLBSA-N 1 1 197.322 2.474 10 0 AEAEMO CCCCC[N@@H+](C)[C@H](C)C(=O)CC 82946837 572180466 /nfs/dbraw/zinc/18/04/66/572180466.db2.gz JQTBFOTXGJCEAT-SNVBAGLBSA-N 1 1 185.311 2.476 10 0 AEAEMO CCC(=O)[C@H](C)[N@@H+](C)[C@@H](C)C1CC1 82946867 572180474 /nfs/dbraw/zinc/18/04/74/572180474.db2.gz QRFOXQMGXJZQMY-IUCAKERBSA-N 1 1 183.295 2.084 10 0 AEAEMO CC[C@H]1C[N@@H+](CC)[C@H](CC(C)C)CN1 82936704 572180482 /nfs/dbraw/zinc/18/04/82/572180482.db2.gz SANDTYOMRCSEBU-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CN(CC)[C@H](CC(C)C)C[NH2+]1 82936704 572180483 /nfs/dbraw/zinc/18/04/83/572180483.db2.gz SANDTYOMRCSEBU-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(=O)[C@H](C)[N@@H+](CC)C(C)C 82946793 572180507 /nfs/dbraw/zinc/18/05/07/572180507.db2.gz OYQLGZAKHNMIQF-VIFPVBQESA-N 1 1 171.284 2.084 10 0 AEAEMO CCC[N@H+](C1CC1)[C@H](C)C(=O)CC 82946813 572180515 /nfs/dbraw/zinc/18/05/15/572180515.db2.gz UOMVWWWRLCIIPV-SECBINFHSA-N 1 1 183.295 2.228 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC)C1 82946888 572180582 /nfs/dbraw/zinc/18/05/82/572180582.db2.gz QCPOERDKABOAAJ-WDEREUQCSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(=O)[C@H](C)[N@@H+](C)CC1CCC1 82947670 572180630 /nfs/dbraw/zinc/18/06/30/572180630.db2.gz JGOPDNRCQNVLBI-VIFPVBQESA-N 1 1 183.295 2.086 10 0 AEAEMO CCC[N@H+]1C[C@H]([C@@H](C)CC)NC[C@@H]1C 82937429 572180655 /nfs/dbraw/zinc/18/06/55/572180655.db2.gz UUBSALNJSLOMJK-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCN1C[C@H]([C@@H](C)CC)[NH2+]C[C@@H]1C 82937429 572180658 /nfs/dbraw/zinc/18/06/58/572180658.db2.gz UUBSALNJSLOMJK-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@@H]1CN[C@H](CC)C[N@H+]1CC 82936683 572181305 /nfs/dbraw/zinc/18/13/05/572181305.db2.gz YOUSCHFWSISZKT-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@@H]1C[NH2+][C@H](CC)CN1CC 82936683 572181308 /nfs/dbraw/zinc/18/13/08/572181308.db2.gz YOUSCHFWSISZKT-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCCC[N@H+]1C[C@H](C)NCC[C@@H]1C 82942613 572180708 /nfs/dbraw/zinc/18/07/08/572180708.db2.gz BGADQAJURYVAKM-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCCN1C[C@H](C)[NH2+]CC[C@@H]1C 82942613 572180712 /nfs/dbraw/zinc/18/07/12/572180712.db2.gz BGADQAJURYVAKM-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(=O)[C@@H](C)[N@@H+](CC)CC(C)C 82946827 572180748 /nfs/dbraw/zinc/18/07/48/572180748.db2.gz KMZANTLMUKHZPO-SNVBAGLBSA-N 1 1 185.311 2.332 10 0 AEAEMO CCC[C@H]1CNC(CC)(CC)C[N@H+]1C 82938609 572180862 /nfs/dbraw/zinc/18/08/62/572180862.db2.gz MIOOOLHJRPDSLU-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1C[NH2+]C(CC)(CC)CN1C 82938609 572180863 /nfs/dbraw/zinc/18/08/63/572180863.db2.gz MIOOOLHJRPDSLU-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H]1CN[C@@H](CC(C)C)C[N@@H+]1CC 82937206 572180872 /nfs/dbraw/zinc/18/08/72/572180872.db2.gz VSZNTIDABZIRJD-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CN[C@@H](CC(C)C)C[N@H+]1CC 82937206 572180874 /nfs/dbraw/zinc/18/08/74/572180874.db2.gz VSZNTIDABZIRJD-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1C[N@@H+](CCC)[C@H](C)CCN1 82943090 572180896 /nfs/dbraw/zinc/18/08/96/572180896.db2.gz SCZKPRJQDXUBEI-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]1CN(CCC)[C@H](C)CC[NH2+]1 82943090 572180898 /nfs/dbraw/zinc/18/08/98/572180898.db2.gz SCZKPRJQDXUBEI-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@H+]1C[C@@H](CC)NCC[C@@H]1C 82943320 572180913 /nfs/dbraw/zinc/18/09/13/572180913.db2.gz PYDOKCNNXMRIMA-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCN1C[C@@H](CC)[NH2+]CC[C@@H]1C 82943320 572180914 /nfs/dbraw/zinc/18/09/14/572180914.db2.gz PYDOKCNNXMRIMA-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@H+](C1CC1)[C@@H](C)C(=O)CC 82946811 572180944 /nfs/dbraw/zinc/18/09/44/572180944.db2.gz UOMVWWWRLCIIPV-VIFPVBQESA-N 1 1 183.295 2.228 10 0 AEAEMO CCC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CC 82946943 572180970 /nfs/dbraw/zinc/18/09/70/572180970.db2.gz ULVAARQXIWKULV-VHSXEESVSA-N 1 1 183.295 2.228 10 0 AEAEMO CC[C@@H]1C[N@@H+](CC)C(CC)(CC)CN1 82936865 572180978 /nfs/dbraw/zinc/18/09/78/572180978.db2.gz PICWKIKAQJJQQM-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H]1CN(CC)C(CC)(CC)C[NH2+]1 82936865 572180981 /nfs/dbraw/zinc/18/09/81/572180981.db2.gz PICWKIKAQJJQQM-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(=O)[C@@H](C)[N@@H+](CC(C)C)C1CC1 82947095 572181323 /nfs/dbraw/zinc/18/13/23/572181323.db2.gz KDQLLXQCBINVDT-SNVBAGLBSA-N 1 1 197.322 2.474 10 0 AEAEMO CCSCCC[NH2+][C@@H](C)C(F)F 300963313 572181078 /nfs/dbraw/zinc/18/10/78/572181078.db2.gz QVZSUVVFZIWHAH-ZETCQYMHSA-N 1 1 197.294 2.373 10 0 AEAEMO CCC(=O)[C@@H](C)[N@@H+](C)C1CCCC1 82946799 572181089 /nfs/dbraw/zinc/18/10/89/572181089.db2.gz QTQKUUCGJNPFOU-SECBINFHSA-N 1 1 183.295 2.228 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+](C)[C@@H](C)CC 82946825 572181098 /nfs/dbraw/zinc/18/10/98/572181098.db2.gz LEYGREKIBSAHRI-IUCAKERBSA-N 1 1 171.284 2.084 10 0 AEAEMO CCC[C@H]1CN[C@@H](CC)C[N@H+]1CCC 82936624 572181134 /nfs/dbraw/zinc/18/11/34/572181134.db2.gz HDGBGKFJEYLLFZ-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1C[NH2+][C@@H](CC)CN1CCC 82936624 572181136 /nfs/dbraw/zinc/18/11/36/572181136.db2.gz HDGBGKFJEYLLFZ-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1CN[C@@H](CC)C[N@H+]1C(C)C 82936616 572181190 /nfs/dbraw/zinc/18/11/90/572181190.db2.gz CXEFBWADJMZUIA-RYUDHWBXSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@H]1C[NH2+][C@@H](CC)CN1C(C)C 82936616 572181193 /nfs/dbraw/zinc/18/11/93/572181193.db2.gz CXEFBWADJMZUIA-RYUDHWBXSA-N 1 1 198.354 2.247 10 0 AEAEMO CCCC[N@@H+](CC)[C@@H](C)[C@@H](N)CC 19267462 572181206 /nfs/dbraw/zinc/18/12/06/572181206.db2.gz CCXQPYVJHDMFHC-QWRGUYRKSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[N@@H+](CC)[C@H](C)C(=O)CC 82946805 572181213 /nfs/dbraw/zinc/18/12/13/572181213.db2.gz UKYIDRPLUJKOOO-SECBINFHSA-N 1 1 171.284 2.086 10 0 AEAEMO CCC(=O)[C@@H](C)[N@@H+](CC)CC1CC1 82947810 572181338 /nfs/dbraw/zinc/18/13/38/572181338.db2.gz DWASGFAAEUKJKS-SECBINFHSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC(=O)[C@@H](C)[N@@H+](C)CCC(C)C 82946984 572181234 /nfs/dbraw/zinc/18/12/34/572181234.db2.gz MAAADDBSYFXQHV-SNVBAGLBSA-N 1 1 185.311 2.332 10 0 AEAEMO CC[C@@H](C)[C@@H]1CN[C@@](C)(CC)C[N@H+]1C 82937833 572181247 /nfs/dbraw/zinc/18/12/47/572181247.db2.gz IWCZJNMGRRAOND-WOPDTQHZSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[C@@H]1C[NH2+][C@@](C)(CC)CN1C 82937833 572181249 /nfs/dbraw/zinc/18/12/49/572181249.db2.gz IWCZJNMGRRAOND-WOPDTQHZSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1CN[C@H](CC(C)C)C[N@@H+]1C 82937250 572181255 /nfs/dbraw/zinc/18/12/55/572181255.db2.gz VDHGFQBQLOURAO-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1CN[C@H](CC(C)C)C[N@H+]1C 82937250 572181258 /nfs/dbraw/zinc/18/12/58/572181258.db2.gz VDHGFQBQLOURAO-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCCN[C@H](C)C1 82941293 572181273 /nfs/dbraw/zinc/18/12/73/572181273.db2.gz NMNXRCCYLPEQMN-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](C)CN1CCC[NH2+][C@H](C)C1 82941293 572181275 /nfs/dbraw/zinc/18/12/75/572181275.db2.gz NMNXRCCYLPEQMN-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[N@H+]1C[C@H](CC)NCC1(C)C 82936789 572181454 /nfs/dbraw/zinc/18/14/54/572181454.db2.gz LHEGGEAKMSDMQO-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCN1C[C@H](CC)[NH2+]CC1(C)C 82936789 572181455 /nfs/dbraw/zinc/18/14/55/572181455.db2.gz LHEGGEAKMSDMQO-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCNCC[C@@H]1C 82942861 572181497 /nfs/dbraw/zinc/18/14/97/572181497.db2.gz QDXMFMSZZMKITR-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[N@H+]1C[C@H](CC)NC[C@@]1(C)CC 82936847 572181542 /nfs/dbraw/zinc/18/15/42/572181542.db2.gz NLUJZQYCANKFGI-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCN1C[C@H](CC)[NH2+]C[C@@]1(C)CC 82936847 572181544 /nfs/dbraw/zinc/18/15/44/572181544.db2.gz NLUJZQYCANKFGI-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(=O)[C@@H](C)[N@@H+](C)C(C)(C)CC 82947813 572181567 /nfs/dbraw/zinc/18/15/67/572181567.db2.gz NYEGAYVTJZRWLW-SECBINFHSA-N 1 1 185.311 2.474 10 0 AEAEMO CCC(=O)[C@H](C)[N@@H+](C)C1CCCC1 82946801 572181577 /nfs/dbraw/zinc/18/15/77/572181577.db2.gz QTQKUUCGJNPFOU-VIFPVBQESA-N 1 1 183.295 2.228 10 0 AEAEMO CCC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)C(C)C 82946868 572181616 /nfs/dbraw/zinc/18/16/16/572181616.db2.gz UKNQJOYDQGWKEC-VHSXEESVSA-N 1 1 185.311 2.330 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCCN[C@H](CC)C1 82941910 572181629 /nfs/dbraw/zinc/18/16/29/572181629.db2.gz HKEAMGRKBDVQGJ-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCC[N@H+]1C[C@@H](C)NCC[C@@H]1C 82942615 572181695 /nfs/dbraw/zinc/18/16/95/572181695.db2.gz BGADQAJURYVAKM-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCCN1C[C@@H](C)[NH2+]CC[C@@H]1C 82942615 572181700 /nfs/dbraw/zinc/18/17/00/572181700.db2.gz BGADQAJURYVAKM-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1CN[C@@H](CC(C)C)C[N@@H+]1C 82937253 572181715 /nfs/dbraw/zinc/18/17/15/572181715.db2.gz VDHGFQBQLOURAO-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H]1CN[C@@H](CC(C)C)C[N@H+]1C 82937253 572181719 /nfs/dbraw/zinc/18/17/19/572181719.db2.gz VDHGFQBQLOURAO-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[N@H+]1C[C@](C)(CC)NC[C@@H]1C 82937668 572181741 /nfs/dbraw/zinc/18/17/41/572181741.db2.gz ZFHZFFSYXXJONC-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCN1C[C@](C)(CC)[NH2+]C[C@@H]1C 82937668 572181744 /nfs/dbraw/zinc/18/17/44/572181744.db2.gz ZFHZFFSYXXJONC-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@H+]1C[C@@](C)(CC)NC[C@@H]1CC 82937741 572181775 /nfs/dbraw/zinc/18/17/75/572181775.db2.gz DHOHSEYSUHCNQF-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H]1C[N@@H+](CC)C(CC)(CC)CN1 82936866 572181789 /nfs/dbraw/zinc/18/17/89/572181789.db2.gz PICWKIKAQJJQQM-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H]1CN(CC)C(CC)(CC)C[NH2+]1 82936866 572181791 /nfs/dbraw/zinc/18/17/91/572181791.db2.gz PICWKIKAQJJQQM-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H]1CN[C@H](CC(C)C)C[N@@H+]1CC 82937205 572181870 /nfs/dbraw/zinc/18/18/70/572181870.db2.gz VSZNTIDABZIRJD-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CN[C@H](CC(C)C)C[N@H+]1CC 82937205 572181874 /nfs/dbraw/zinc/18/18/74/572181874.db2.gz VSZNTIDABZIRJD-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@H+]1CC(CC)(CC)NC[C@@H]1C 82938562 572181884 /nfs/dbraw/zinc/18/18/84/572181884.db2.gz WVSRBWVUKUZJDF-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCCN1CC(CC)(CC)[NH2+]C[C@@H]1C 82938562 572181886 /nfs/dbraw/zinc/18/18/86/572181886.db2.gz WVSRBWVUKUZJDF-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C)[C@H]1C[N@H+](CC)[C@H](CC)CN1 82937463 572181891 /nfs/dbraw/zinc/18/18/91/572181891.db2.gz ABRJXELTFQUGRE-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@H]1C[N@@H+](CC)[C@H](CC)CN1 82937463 572181893 /nfs/dbraw/zinc/18/18/93/572181893.db2.gz ABRJXELTFQUGRE-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1CN[C@@H](CC(C)C)C[N@@H+]1C 82937252 572181897 /nfs/dbraw/zinc/18/18/97/572181897.db2.gz VDHGFQBQLOURAO-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1CN[C@@H](CC(C)C)C[N@H+]1C 82937252 572181899 /nfs/dbraw/zinc/18/18/99/572181899.db2.gz VDHGFQBQLOURAO-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1CN[C@H]([C@@H](C)CC)C[N@@H+]1C 82937495 572181912 /nfs/dbraw/zinc/18/19/12/572181912.db2.gz PBWQXKOQQHGJBF-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1CN[C@H]([C@@H](C)CC)C[N@H+]1C 82937495 572181915 /nfs/dbraw/zinc/18/19/15/572181915.db2.gz PBWQXKOQQHGJBF-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(=O)[C@H](C)[N@@H+](CC1CC1)C(C)C 82947110 572181921 /nfs/dbraw/zinc/18/19/21/572181921.db2.gz DDZJNYCJBRLUQD-JTQLQIEISA-N 1 1 197.322 2.474 10 0 AEAEMO CCC[C@H]1CN[C@@H]([C@@H](C)CC)C[N@@H+]1C 82937498 572181958 /nfs/dbraw/zinc/18/19/58/572181958.db2.gz PBWQXKOQQHGJBF-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H]1CN[C@@H]([C@@H](C)CC)C[N@H+]1C 82937498 572181960 /nfs/dbraw/zinc/18/19/60/572181960.db2.gz PBWQXKOQQHGJBF-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[C@H]1CN[C@@](C)(CC)C[N@H+]1C 82937835 572181991 /nfs/dbraw/zinc/18/19/91/572181991.db2.gz IWCZJNMGRRAOND-UTUOFQBUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[C@H]1C[NH2+][C@@](C)(CC)CN1C 82937835 572181993 /nfs/dbraw/zinc/18/19/93/572181993.db2.gz IWCZJNMGRRAOND-UTUOFQBUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[N@@H+](CC)[C@H](C)C(=O)CC 82946664 572182013 /nfs/dbraw/zinc/18/20/13/572182013.db2.gz MFOVJTNGPBVHBJ-SNVBAGLBSA-N 1 1 185.311 2.476 10 0 AEAEMO CCCC[N@@H+](C)[C@H](C)C(=O)CC 82946651 572182024 /nfs/dbraw/zinc/18/20/24/572182024.db2.gz NOYGDUYYFCGDEG-SECBINFHSA-N 1 1 171.284 2.086 10 0 AEAEMO CCC(=O)[C@@H](C)[N@@H+](CC1CC1)C1CC1 82947856 572182057 /nfs/dbraw/zinc/18/20/57/572182057.db2.gz PJNKJXZXQCNHMQ-SECBINFHSA-N 1 1 195.306 2.228 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCNCC[C@@H]1C 82942863 572182089 /nfs/dbraw/zinc/18/20/89/572182089.db2.gz QDXMFMSZZMKITR-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[N@@H+]1C[C@H](CC(C)C)NC[C@@H]1C 82937181 572182184 /nfs/dbraw/zinc/18/21/84/572182184.db2.gz VLYKFCNJULEPIL-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@H+]1C[C@H](CC(C)C)NC[C@@H]1C 82937181 572182187 /nfs/dbraw/zinc/18/21/87/572182187.db2.gz VLYKFCNJULEPIL-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1CN[C@H](CC)C[N@H+]1CCC 82936621 572182214 /nfs/dbraw/zinc/18/22/14/572182214.db2.gz HDGBGKFJEYLLFZ-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]1C[NH2+][C@H](CC)CN1CCC 82936621 572182217 /nfs/dbraw/zinc/18/22/17/572182217.db2.gz HDGBGKFJEYLLFZ-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCCN[C@H](C)C1 82941295 572182294 /nfs/dbraw/zinc/18/22/94/572182294.db2.gz NMNXRCCYLPEQMN-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)CN1CCC[NH2+][C@H](C)C1 82941295 572182296 /nfs/dbraw/zinc/18/22/96/572182296.db2.gz NMNXRCCYLPEQMN-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H]1CN[C@](C)(CC)C[N@H+]1CC 82937774 572182344 /nfs/dbraw/zinc/18/23/44/572182344.db2.gz WQHMUHVQZDOFAX-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1C[NH2+][C@](C)(CC)CN1CC 82937774 572182346 /nfs/dbraw/zinc/18/23/46/572182346.db2.gz WQHMUHVQZDOFAX-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@H+]1C[C@H](CC)NCC[C@@H]1C 82943318 572182358 /nfs/dbraw/zinc/18/23/58/572182358.db2.gz PYDOKCNNXMRIMA-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCN1C[C@H](CC)[NH2+]CC[C@@H]1C 82943318 572182360 /nfs/dbraw/zinc/18/23/60/572182360.db2.gz PYDOKCNNXMRIMA-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@@H+](C)[C@@H](C)C(=O)CC 82946649 572182370 /nfs/dbraw/zinc/18/23/70/572182370.db2.gz NOYGDUYYFCGDEG-VIFPVBQESA-N 1 1 171.284 2.086 10 0 AEAEMO CCC[C@@H]1CN[C@H](CC)C[N@H+]1C(C)C 82936613 572182388 /nfs/dbraw/zinc/18/23/88/572182388.db2.gz CXEFBWADJMZUIA-VXGBXAGGSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@@H]1C[NH2+][C@H](CC)CN1C(C)C 82936613 572182390 /nfs/dbraw/zinc/18/23/90/572182390.db2.gz CXEFBWADJMZUIA-VXGBXAGGSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[N@H+]1C[C@@H]([C@@H](C)CC)NC[C@@H]1C 82937430 572182394 /nfs/dbraw/zinc/18/23/94/572182394.db2.gz UUBSALNJSLOMJK-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCN1C[C@@H]([C@@H](C)CC)[NH2+]C[C@@H]1C 82937430 572182398 /nfs/dbraw/zinc/18/23/98/572182398.db2.gz UUBSALNJSLOMJK-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H]1CN[C@@](C)(CC)C[N@H+]1CC 82937772 572182412 /nfs/dbraw/zinc/18/24/12/572182412.db2.gz WQHMUHVQZDOFAX-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1C[NH2+][C@@](C)(CC)CN1CC 82937772 572182415 /nfs/dbraw/zinc/18/24/15/572182415.db2.gz WQHMUHVQZDOFAX-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@H+]1C[C@@H](CC)NC[C@@]1(C)CC 82936848 572182429 /nfs/dbraw/zinc/18/24/29/572182429.db2.gz NLUJZQYCANKFGI-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCN1C[C@@H](CC)[NH2+]C[C@@]1(C)CC 82936848 572182431 /nfs/dbraw/zinc/18/24/31/572182431.db2.gz NLUJZQYCANKFGI-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCc1[nH+]ccn1[C@@H](C)C(=O)CC 82948261 572182445 /nfs/dbraw/zinc/18/24/45/572182445.db2.gz CTMCXISTVMCOMX-VIFPVBQESA-N 1 1 194.278 2.376 10 0 AEAEMO CC[C@@H]1CN[C@H](CC(C)C)C[N@@H+]1CC 82937204 572182453 /nfs/dbraw/zinc/18/24/53/572182453.db2.gz VSZNTIDABZIRJD-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CN[C@H](CC(C)C)C[N@H+]1CC 82937204 572182455 /nfs/dbraw/zinc/18/24/55/572182455.db2.gz VSZNTIDABZIRJD-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@@H+](CC1CC1)[C@H](C)C(=O)CC 82947022 572182463 /nfs/dbraw/zinc/18/24/63/572182463.db2.gz HNGCTALDHUCNSK-SNVBAGLBSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC[N@H+]1CC(CC)(CC)NC[C@H]1C 82938563 572182501 /nfs/dbraw/zinc/18/25/01/572182501.db2.gz WVSRBWVUKUZJDF-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCN1CC(CC)(CC)[NH2+]C[C@H]1C 82938563 572182503 /nfs/dbraw/zinc/18/25/03/572182503.db2.gz WVSRBWVUKUZJDF-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+](C)C[C@H](C)CC 82946839 572182552 /nfs/dbraw/zinc/18/25/52/572182552.db2.gz PZTWBZSDLYJGQF-ZJUUUORDSA-N 1 1 185.311 2.332 10 0 AEAEMO CC(=O)CC[N@H+](C)CC1CCCC1 70158360 572182562 /nfs/dbraw/zinc/18/25/62/572182562.db2.gz OBCGYTUFQDWNKP-UHFFFAOYSA-N 1 1 183.295 2.088 10 0 AEAEMO CCCC[N@H+]1C[C@@H](CC)NCC1(C)C 82936790 572182531 /nfs/dbraw/zinc/18/25/31/572182531.db2.gz LHEGGEAKMSDMQO-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCN1C[C@@H](CC)[NH2+]CC1(C)C 82936790 572182533 /nfs/dbraw/zinc/18/25/33/572182533.db2.gz LHEGGEAKMSDMQO-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+](C)C(CC)CC 82946872 572182652 /nfs/dbraw/zinc/18/26/52/572182652.db2.gz YPHMEENOYHZPEK-VIFPVBQESA-N 1 1 185.311 2.474 10 0 AEAEMO CCCCC[N@@H+](C)[C@@H](C)C(=O)CC 82946834 572182680 /nfs/dbraw/zinc/18/26/80/572182680.db2.gz JQTBFOTXGJCEAT-JTQLQIEISA-N 1 1 185.311 2.476 10 0 AEAEMO CC[C@H](C)[C@H]1C[N@H+](CC)[C@@H](CC)CN1 82937464 572182733 /nfs/dbraw/zinc/18/27/33/572182733.db2.gz ABRJXELTFQUGRE-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@H]1C[N@@H+](CC)[C@@H](CC)CN1 82937464 572182737 /nfs/dbraw/zinc/18/27/37/572182737.db2.gz ABRJXELTFQUGRE-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@H](C)C(=O)CC 82946879 572182745 /nfs/dbraw/zinc/18/27/45/572182745.db2.gz PNDIQLAAAYSIES-UWVGGRQHSA-N 1 1 185.311 2.474 10 0 AEAEMO CCC[C@H]1CN[C@H](CC(C)C)C[N@@H+]1C 82937251 572182755 /nfs/dbraw/zinc/18/27/55/572182755.db2.gz VDHGFQBQLOURAO-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H]1CN[C@H](CC(C)C)C[N@H+]1C 82937251 572182760 /nfs/dbraw/zinc/18/27/60/572182760.db2.gz VDHGFQBQLOURAO-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H]1C[N@@H+](CC(C)C)CCCN1 82953740 572183782 /nfs/dbraw/zinc/18/37/82/572183782.db2.gz RSINRFICBMHHJJ-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@H](C)C(=O)CC 82946809 572182803 /nfs/dbraw/zinc/18/28/03/572182803.db2.gz LOMXFAICCUOBMK-SNVBAGLBSA-N 1 1 185.311 2.474 10 0 AEAEMO CC[C@H](C)[C@@H]1C[N@H+](CC)[C@H](CC)CN1 82937461 572182814 /nfs/dbraw/zinc/18/28/14/572182814.db2.gz ABRJXELTFQUGRE-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H]1CN(CC(C)C)CCC[NH2+]1 82953740 572183784 /nfs/dbraw/zinc/18/37/84/572183784.db2.gz RSINRFICBMHHJJ-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)[C@@H]1C[N@@H+](CC)[C@H](CC)CN1 82937461 572182819 /nfs/dbraw/zinc/18/28/19/572182819.db2.gz ABRJXELTFQUGRE-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1C[N@@H+](CC)[C@H](CC(C)C)CN1 82936703 572182824 /nfs/dbraw/zinc/18/28/24/572182824.db2.gz SANDTYOMRCSEBU-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CN(CC)[C@H](CC(C)C)C[NH2+]1 82936703 572182829 /nfs/dbraw/zinc/18/28/29/572182829.db2.gz SANDTYOMRCSEBU-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[C@@H]1C[N@H+](C)[C@@](C)(CC)CN1 82937623 572182871 /nfs/dbraw/zinc/18/28/71/572182871.db2.gz JYRULIGAGNMRLX-WOPDTQHZSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[C@@H]1C[N@@H+](C)[C@@](C)(CC)CN1 82937623 572182873 /nfs/dbraw/zinc/18/28/73/572182873.db2.gz JYRULIGAGNMRLX-WOPDTQHZSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@@H](C)C(=O)CC 82946807 572182883 /nfs/dbraw/zinc/18/28/83/572182883.db2.gz LOMXFAICCUOBMK-JTQLQIEISA-N 1 1 185.311 2.474 10 0 AEAEMO CCC(=O)[C@@H](C)[N@H+](C)C(CC)CC 82946874 572182897 /nfs/dbraw/zinc/18/28/97/572182897.db2.gz YPHMEENOYHZPEK-SECBINFHSA-N 1 1 185.311 2.474 10 0 AEAEMO CCCC[N@H+]1CCCN[C@](C)(CC)C1 82942075 572182903 /nfs/dbraw/zinc/18/29/03/572182903.db2.gz WKWVATJRUASJRL-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCN1CCC[NH2+][C@](C)(CC)C1 82942075 572182905 /nfs/dbraw/zinc/18/29/05/572182905.db2.gz WKWVATJRUASJRL-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCC[N@H+]1CCCN[C@H](CC)C1 82941923 572182944 /nfs/dbraw/zinc/18/29/44/572182944.db2.gz ZUUWRJJSRQJLBZ-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCN1CCC[NH2+][C@H](CC)C1 82941923 572182946 /nfs/dbraw/zinc/18/29/46/572182946.db2.gz ZUUWRJJSRQJLBZ-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CCC[C@@H]1CN[C@@H]([C@@H](C)CC)C[N@@H+]1C 82937497 572182975 /nfs/dbraw/zinc/18/29/75/572182975.db2.gz PBWQXKOQQHGJBF-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1CN[C@@H]([C@@H](C)CC)C[N@H+]1C 82937497 572182977 /nfs/dbraw/zinc/18/29/77/572182977.db2.gz PBWQXKOQQHGJBF-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1CN[C@@H](CC)C[N@H+]1CCC 82936623 572182984 /nfs/dbraw/zinc/18/29/84/572182984.db2.gz HDGBGKFJEYLLFZ-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]1C[NH2+][C@@H](CC)CN1CCC 82936623 572182988 /nfs/dbraw/zinc/18/29/88/572182988.db2.gz HDGBGKFJEYLLFZ-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](C)[C@H]1C[N@H+](C)[C@@](C)(CC)CN1 82937625 572182995 /nfs/dbraw/zinc/18/29/95/572182995.db2.gz JYRULIGAGNMRLX-UTUOFQBUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[C@H]1C[N@@H+](C)[C@@](C)(CC)CN1 82937625 572182997 /nfs/dbraw/zinc/18/29/97/572182997.db2.gz JYRULIGAGNMRLX-UTUOFQBUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CN[C@@H](CC(C)C)C[N@@H+]1CC 82937207 572183009 /nfs/dbraw/zinc/18/30/09/572183009.db2.gz VSZNTIDABZIRJD-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CN[C@@H](CC(C)C)C[N@H+]1CC 82937207 572183010 /nfs/dbraw/zinc/18/30/10/572183010.db2.gz VSZNTIDABZIRJD-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+](CC)[C@@H](C)CC 82946833 572183040 /nfs/dbraw/zinc/18/30/40/572183040.db2.gz DYYUKHRTFXGODF-UWVGGRQHSA-N 1 1 185.311 2.474 10 0 AEAEMO CCC[N@H+]1C[C@@H](CC)NC[C@@H]1C(C)C 82936668 572183049 /nfs/dbraw/zinc/18/30/49/572183049.db2.gz JRQNWXRNTXORFD-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+]1CCC[C@H](CC)C1 82946891 572183052 /nfs/dbraw/zinc/18/30/52/572183052.db2.gz QCPOERDKABOAAJ-QWRGUYRKSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(=O)[C@H](C)[N@@H+](CC)CC1CC1 82947811 572183059 /nfs/dbraw/zinc/18/30/59/572183059.db2.gz DWASGFAAEUKJKS-VIFPVBQESA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@@H](C)[C@H]1C[NH2+][C@H](C(C)(C)C)CN1 82960783 572183390 /nfs/dbraw/zinc/18/33/90/572183390.db2.gz HJZOBXBCOKWKHA-MXWKQRLJSA-N 1 1 198.354 2.009 10 0 AEAEMO CC[C@H](C)[C@@H]1CN[C@H]([C@H](C)CC)C[NH2+]1 82960849 572183687 /nfs/dbraw/zinc/18/36/87/572183687.db2.gz SVTOLGYWGPJUGW-USZNOCQGSA-N 1 1 198.354 2.009 10 0 AEAEMO CCC(=O)[C@H](C)[N@@H+](C)CC1CCCC1 82953642 572183829 /nfs/dbraw/zinc/18/38/29/572183829.db2.gz LTKVDVRXIPCXAD-JTQLQIEISA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@H](C)[C@H]1CN[C@H]([C@@H](C)CC)C[NH2+]1 82960852 572183969 /nfs/dbraw/zinc/18/39/69/572183969.db2.gz SVTOLGYWGPJUGW-FIQHERPVSA-N 1 1 198.354 2.009 10 0 AEAEMO CC[C@H](C)[C@@H]1CN[C@@H]([C@H](C)CC)C[NH2+]1 82960851 572183973 /nfs/dbraw/zinc/18/39/73/572183973.db2.gz SVTOLGYWGPJUGW-BKUVIOGVSA-N 1 1 198.354 2.009 10 0 AEAEMO CC[C@@H](C)[C@@H]1C[NH2+]C(CC)(CC)CN1 82960869 572184186 /nfs/dbraw/zinc/18/41/86/572184186.db2.gz LTXKQTZNIZLQBS-MNOVXSKESA-N 1 1 198.354 2.153 10 0 AEAEMO CCC1(CC)C[NH2+][C@@H](CC(C)C)CN1 82960832 572184131 /nfs/dbraw/zinc/18/41/31/572184131.db2.gz NJCZJWOOKJPHHV-NSHDSACASA-N 1 1 198.354 2.153 10 0 AEAEMO CCC1(CC)C[NH2+][C@H](CC(C)C)CN1 82960831 572184305 /nfs/dbraw/zinc/18/43/05/572184305.db2.gz NJCZJWOOKJPHHV-LLVKDONJSA-N 1 1 198.354 2.153 10 0 AEAEMO CCC[C@@H]1C[N@@H+](CC(C)C)CCCN1 82953739 572184330 /nfs/dbraw/zinc/18/43/30/572184330.db2.gz RSINRFICBMHHJJ-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H]1CN(CC(C)C)CCC[NH2+]1 82953739 572184331 /nfs/dbraw/zinc/18/43/31/572184331.db2.gz RSINRFICBMHHJJ-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO C/C=C/C[N@H+]1C[C@H](CC)NC[C@@H]1CC 83117845 572184597 /nfs/dbraw/zinc/18/45/97/572184597.db2.gz OGYGMUWTWZAUGX-XTPCBIOYSA-N 1 1 196.338 2.025 10 0 AEAEMO C/C=C/C[N@@H+]1C[C@H](CC)NC[C@@H]1CC 83117845 572184600 /nfs/dbraw/zinc/18/46/00/572184600.db2.gz OGYGMUWTWZAUGX-XTPCBIOYSA-N 1 1 196.338 2.025 10 0 AEAEMO CC[C@H](C)[C@@H]1C[NH2+][C@H](CC(C)C)CN1 82960816 572184617 /nfs/dbraw/zinc/18/46/17/572184617.db2.gz SVOYKXWQOVHQRM-TUAOUCFPSA-N 1 1 198.354 2.009 10 0 AEAEMO CC(C)[N@@H+](C)[C@]1(CN)CCCC[C@@H]1C 19422420 572184699 /nfs/dbraw/zinc/18/46/99/572184699.db2.gz MAYWDBJLXDHAAL-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[N@@H+](C)[C@@]1(CN)CCCC[C@@H]1C 19422418 572184837 /nfs/dbraw/zinc/18/48/37/572184837.db2.gz MAYWDBJLXDHAAL-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO C/C=C/C[N@H+]1C[C@H](CC)NC[C@H]1CC 83117844 572184859 /nfs/dbraw/zinc/18/48/59/572184859.db2.gz OGYGMUWTWZAUGX-BLWPOKMGSA-N 1 1 196.338 2.025 10 0 AEAEMO C/C=C/C[N@@H+]1C[C@H](CC)NC[C@H]1CC 83117844 572184862 /nfs/dbraw/zinc/18/48/62/572184862.db2.gz OGYGMUWTWZAUGX-BLWPOKMGSA-N 1 1 196.338 2.025 10 0 AEAEMO CC(C)c1noc(C[NH2+]C(C)(C)C)n1 70162338 572184877 /nfs/dbraw/zinc/18/48/77/572184877.db2.gz WQTHCPFAWLDYDE-UHFFFAOYSA-N 1 1 197.282 2.081 10 0 AEAEMO CC[C@H](C)[C@H]1C[NH2+]C(CC)(CC)CN1 82960872 572185169 /nfs/dbraw/zinc/18/51/69/572185169.db2.gz LTXKQTZNIZLQBS-WDEREUQCSA-N 1 1 198.354 2.153 10 0 AEAEMO CC[C@H](C)[C@@H]1C[NH2+]C(CC)(CC)CN1 82960870 572185219 /nfs/dbraw/zinc/18/52/19/572185219.db2.gz LTXKQTZNIZLQBS-QWRGUYRKSA-N 1 1 198.354 2.153 10 0 AEAEMO CC[C@@H](C)[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1 82960781 572185298 /nfs/dbraw/zinc/18/52/98/572185298.db2.gz HJZOBXBCOKWKHA-VWYCJHECSA-N 1 1 198.354 2.009 10 0 AEAEMO CC[C@H](C)[C@H]1C[NH2+][C@H](CC(C)C)CN1 82960818 572185308 /nfs/dbraw/zinc/18/53/08/572185308.db2.gz SVOYKXWQOVHQRM-QJPTWQEYSA-N 1 1 198.354 2.009 10 0 AEAEMO C[C@@H]([NH2+]N1CCCCC1)C(C)(C)C 687711692 572185504 /nfs/dbraw/zinc/18/55/04/572185504.db2.gz JWIKMDJPXRXEMA-SNVBAGLBSA-N 1 1 184.327 2.412 10 0 AEAEMO CCC(=O)[C@@H](C)[N@@H+](C)CC1CCCC1 82953640 572185605 /nfs/dbraw/zinc/18/56/05/572185605.db2.gz LTKVDVRXIPCXAD-SNVBAGLBSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@@H](C)[C@H]1C[NH2+]C(CC)(CC)CN1 82960871 572185621 /nfs/dbraw/zinc/18/56/21/572185621.db2.gz LTXKQTZNIZLQBS-GHMZBOCLSA-N 1 1 198.354 2.153 10 0 AEAEMO CCO[C@@H]([C@H]([NH3+])C(F)F)C(C)(C)C 687791049 572185693 /nfs/dbraw/zinc/18/56/93/572185693.db2.gz KCPFZWBLDHCRBH-BQBZGAKWSA-N 1 1 195.253 2.030 10 0 AEAEMO CCC[C@H]([NH3+])c1nc(C2CCC2)no1 83119994 572185940 /nfs/dbraw/zinc/18/59/40/572185940.db2.gz DGYKCRNUEMFMFU-QMMMGPOBSA-N 1 1 195.266 2.137 10 0 AEAEMO CCCC(=O)[C@H]1CCC[N@H+]1CC(C)C 725329332 572186149 /nfs/dbraw/zinc/18/61/49/572186149.db2.gz FEWORBCFOQLDFE-LLVKDONJSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[NH2+][C@H](C(F)F)[C@@H](CC)OCC 687791045 572186290 /nfs/dbraw/zinc/18/62/90/572186290.db2.gz JGTJOSNMKLLIMK-SFYZADRCSA-N 1 1 195.253 2.045 10 0 AEAEMO CCO[C@H]([C@H]([NH3+])C(F)F)C(C)(C)C 687791050 572186515 /nfs/dbraw/zinc/18/65/15/572186515.db2.gz KCPFZWBLDHCRBH-NKWVEPMBSA-N 1 1 195.253 2.030 10 0 AEAEMO CC[C@H]([NH2+]C)c1nc(C2CCC2)no1 83120102 572186536 /nfs/dbraw/zinc/18/65/36/572186536.db2.gz PVDVPKWFPFNYBF-QMMMGPOBSA-N 1 1 195.266 2.008 10 0 AEAEMO CCO[C@](C)(CC)[C@H]([NH2+]C)C(F)F 687791056 572186604 /nfs/dbraw/zinc/18/66/04/572186604.db2.gz MJLIKAQNHQRELJ-VXNVDRBHSA-N 1 1 195.253 2.045 10 0 AEAEMO CC[C@@](C)(CN)[N@H+]1C[C@@H](C)C[C@@H](C)C1 19513632 572186623 /nfs/dbraw/zinc/18/66/23/572186623.db2.gz CGDRSVOGDZRYOP-TUAOUCFPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCO[C@](C)(CC)[C@@H]([NH2+]C)C(F)F 687791055 572186674 /nfs/dbraw/zinc/18/66/74/572186674.db2.gz MJLIKAQNHQRELJ-IONNQARKSA-N 1 1 195.253 2.045 10 0 AEAEMO CC[NH2+][C@@H](C(F)F)[C@@H](CC)OCC 687791043 572186719 /nfs/dbraw/zinc/18/67/19/572186719.db2.gz JGTJOSNMKLLIMK-HTQZYQBOSA-N 1 1 195.253 2.045 10 0 AEAEMO CC[NH2+][C@H](C(F)F)[C@H](CC)OCC 687791046 572186775 /nfs/dbraw/zinc/18/67/75/572186775.db2.gz JGTJOSNMKLLIMK-YUMQZZPRSA-N 1 1 195.253 2.045 10 0 AEAEMO CCO[C@H]([C@@H]([NH3+])C(F)F)C(C)(C)C 687791051 572186785 /nfs/dbraw/zinc/18/67/85/572186785.db2.gz KCPFZWBLDHCRBH-RNFRBKRXSA-N 1 1 195.253 2.030 10 0 AEAEMO CCO[C@@](C)(CC)[C@@H]([NH2+]C)C(F)F 687791054 572186933 /nfs/dbraw/zinc/18/69/33/572186933.db2.gz MJLIKAQNHQRELJ-CBAPKCEASA-N 1 1 195.253 2.045 10 0 AEAEMO CC[NH2+][C@@H](C(F)F)[C@H](CC)OCC 687791044 572187148 /nfs/dbraw/zinc/18/71/48/572187148.db2.gz JGTJOSNMKLLIMK-JGVFFNPUSA-N 1 1 195.253 2.045 10 0 AEAEMO CCO[C@@](C)(CC)[C@H]([NH2+]C)C(F)F 687791053 572187758 /nfs/dbraw/zinc/18/77/58/572187758.db2.gz MJLIKAQNHQRELJ-APPZFPTMSA-N 1 1 195.253 2.045 10 0 AEAEMO CCO[C@@H]([C@@H]([NH3+])C(F)F)C(C)(C)C 687791052 572187614 /nfs/dbraw/zinc/18/76/14/572187614.db2.gz KCPFZWBLDHCRBH-RQJHMYQMSA-N 1 1 195.253 2.030 10 0 AEAEMO CC[C@@H]([NH2+]C)c1nc(C2CCC2)no1 83120103 572187667 /nfs/dbraw/zinc/18/76/67/572187667.db2.gz PVDVPKWFPFNYBF-MRVPVSSYSA-N 1 1 195.266 2.008 10 0 AEAEMO C[C@H]([NH2+]N1CCCCC1)C(C)(C)C 687711691 572187898 /nfs/dbraw/zinc/18/78/98/572187898.db2.gz JWIKMDJPXRXEMA-JTQLQIEISA-N 1 1 184.327 2.412 10 0 AEAEMO CCC[C@@H]([NH3+])c1nc(C2CCC2)no1 83119995 572187900 /nfs/dbraw/zinc/18/79/00/572187900.db2.gz DGYKCRNUEMFMFU-MRVPVSSYSA-N 1 1 195.266 2.137 10 0 AEAEMO CC(C)(C)CCCN[C@]1(C)CC[NH2+]C1 300969178 572188235 /nfs/dbraw/zinc/18/82/35/572188235.db2.gz ZORMNSRHRUYMGJ-GFCCVEGCSA-N 1 1 198.354 2.154 10 0 AEAEMO CNC[C@@H]1CCCC[N@@H+]1[C@@H](C)C(C)C 221122241 572188419 /nfs/dbraw/zinc/18/84/19/572188419.db2.gz BEUFBCPKESURPY-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CNC[C@@H]1CCCC[N@H+]1[C@@H](C)C(C)C 221122241 572188421 /nfs/dbraw/zinc/18/84/21/572188421.db2.gz BEUFBCPKESURPY-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CN[C@@H](C)C[N@@H+]1CC=C(C)C 234083245 572188489 /nfs/dbraw/zinc/18/84/89/572188489.db2.gz KTKFBCYWQPJCRB-RYUDHWBXSA-N 1 1 196.338 2.025 10 0 AEAEMO CC[C@H]1CN[C@@H](C)C[N@H+]1CC=C(C)C 234083245 572188492 /nfs/dbraw/zinc/18/84/92/572188492.db2.gz KTKFBCYWQPJCRB-RYUDHWBXSA-N 1 1 196.338 2.025 10 0 AEAEMO CC(C)(C)CCCN[C@@]1(C)CC[NH2+]C1 300969180 572188723 /nfs/dbraw/zinc/18/87/23/572188723.db2.gz ZORMNSRHRUYMGJ-LBPRGKRZSA-N 1 1 198.354 2.154 10 0 AEAEMO CC[C@H]1CC[C@@H]([N@@H+]2CCC(=O)C2)[C@@H]1C 83049352 572189234 /nfs/dbraw/zinc/18/92/34/572189234.db2.gz SDVKORCMJYOBLP-JFGNBEQYSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@H]1CC[C@@H]([N@H+]2CCC(=O)C2)[C@@H]1C 83049352 572189239 /nfs/dbraw/zinc/18/92/39/572189239.db2.gz SDVKORCMJYOBLP-JFGNBEQYSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@@H]([NH3+])c1nnc(CCC(C)(C)C)o1 300969159 572189277 /nfs/dbraw/zinc/18/92/77/572189277.db2.gz ZNRPTUCSDCQAEI-SSDOTTSWSA-N 1 1 197.282 2.068 10 0 AEAEMO CC[C@H]1CCC[C@@]12C(=O)CC[N@@H+]2CC 711932166 572189913 /nfs/dbraw/zinc/18/99/13/572189913.db2.gz KLSPXTXIWDKBQD-JQWIXIFHSA-N 1 1 195.306 2.230 10 0 AEAEMO CCCC[N@@H+]1C[C@H](C(C)C)C[C@@H](N)C1 249851857 572189762 /nfs/dbraw/zinc/18/97/62/572189762.db2.gz JWCKALGPSKQCNT-VXGBXAGGSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCCN1C[C@H](C(C)C)C[C@@H]([NH3+])C1 249851857 572189766 /nfs/dbraw/zinc/18/97/66/572189766.db2.gz JWCKALGPSKQCNT-VXGBXAGGSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)N1CC[NH2+][C@H](CC(C)C)C1 83059659 572191086 /nfs/dbraw/zinc/19/10/86/572191086.db2.gz NOXZGCNWURCCOD-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CCC[C@]12C(=O)CC[N@@H+]2CC 711932174 572190172 /nfs/dbraw/zinc/19/01/72/572190172.db2.gz KLSPXTXIWDKBQD-ZYHUDNBSSA-N 1 1 195.306 2.230 10 0 AEAEMO CCN1Cc2ccc([C@@H](C)[NH3+])cc2C1 214613081 572190303 /nfs/dbraw/zinc/19/03/03/572190303.db2.gz OUKLUAGVRFOORH-SECBINFHSA-N 1 1 190.290 2.042 10 0 AEAEMO CC[C@H]1CC[C@H]([N@@H+]2CCC(=O)C2)[C@@H]1C 83049344 572190328 /nfs/dbraw/zinc/19/03/28/572190328.db2.gz SDVKORCMJYOBLP-SCVCMEIPSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@H]1CC[C@H]([N@H+]2CCC(=O)C2)[C@@H]1C 83049344 572190331 /nfs/dbraw/zinc/19/03/31/572190331.db2.gz SDVKORCMJYOBLP-SCVCMEIPSA-N 1 1 195.306 2.086 10 0 AEAEMO CCCC[N@H+]1C[C@H](N)C[C@H](C(C)C)C1 249851853 572190361 /nfs/dbraw/zinc/19/03/61/572190361.db2.gz JWCKALGPSKQCNT-NWDGAFQWSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCCN1C[C@H]([NH3+])C[C@H](C(C)C)C1 249851853 572190363 /nfs/dbraw/zinc/19/03/63/572190363.db2.gz JWCKALGPSKQCNT-NWDGAFQWSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(CC)[N@H+]1CCC[C@H]1C(C)=O 725330063 572190963 /nfs/dbraw/zinc/19/09/63/572190963.db2.gz LVGXRFYSGJYCKG-NSHDSACASA-N 1 1 183.295 2.228 10 0 AEAEMO CCC[N@@H+]1CCC(=O)[C@H]1C[C@@H](C)CC 711929736 572190557 /nfs/dbraw/zinc/19/05/57/572190557.db2.gz VKRFHFVPUUTAAM-WDEREUQCSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC[N@H+]1CCC(=O)[C@H]1C[C@@H](C)CC 711929736 572190559 /nfs/dbraw/zinc/19/05/59/572190559.db2.gz VKRFHFVPUUTAAM-WDEREUQCSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@H](C)[C@H]1C[N@H+]([C@@H](C)CC)CCN1 83059620 572190577 /nfs/dbraw/zinc/19/05/77/572190577.db2.gz YSTMGLVOUDGLAQ-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@H]1CN([C@@H](C)CC)CC[NH2+]1 83059620 572190580 /nfs/dbraw/zinc/19/05/80/572190580.db2.gz YSTMGLVOUDGLAQ-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@H+]1CCN[C@H](CC)C1 83061965 572190726 /nfs/dbraw/zinc/19/07/26/572190726.db2.gz NWUYLDQLXNZVJH-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H]1C[N@H+](C(CC)CC)CCN1 83059849 572190734 /nfs/dbraw/zinc/19/07/34/572190734.db2.gz CGWHDUYWCGTFAU-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1CN(C(CC)CC)CC[NH2+]1 83059849 572190738 /nfs/dbraw/zinc/19/07/38/572190738.db2.gz CGWHDUYWCGTFAU-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H]1C[N@@H+]([C@@H](CC)C(C)C)CCN1 83062211 572190807 /nfs/dbraw/zinc/19/08/07/572190807.db2.gz XOTUVVHLCIVKDP-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CNCC[N@H+]1[C@@H](C)CC(C)C 83086570 572190817 /nfs/dbraw/zinc/19/08/17/572190817.db2.gz GPEATUFFCVRYJD-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)CC[C@H](C)[N@H+]1CCN[C@@H](C)C1 83084537 572190873 /nfs/dbraw/zinc/19/08/73/572190873.db2.gz WIDVKBADOMUQRC-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)CC[C@H](C)N1CC[NH2+][C@@H](C)C1 83084537 572190876 /nfs/dbraw/zinc/19/08/76/572190876.db2.gz WIDVKBADOMUQRC-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(=O)[C@@H]1CCCC[N@H+]1C(C)C 725330128 572190896 /nfs/dbraw/zinc/19/08/96/572190896.db2.gz PROFBBYMSBUXMT-JTQLQIEISA-N 1 1 183.295 2.228 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCN[C@@](C)(CC)C1 83059514 572190899 /nfs/dbraw/zinc/19/08/99/572190899.db2.gz NAZKJPQMOVTICR-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H](C)N1CC[NH2+][C@@](C)(CC)C1 83059514 572190902 /nfs/dbraw/zinc/19/09/02/572190902.db2.gz NAZKJPQMOVTICR-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCN1Cc2ccc([C@H](C)[NH3+])cc2C1 214613132 572190906 /nfs/dbraw/zinc/19/09/06/572190906.db2.gz OUKLUAGVRFOORH-VIFPVBQESA-N 1 1 190.290 2.042 10 0 AEAEMO CCC[N@@H+](CC)[C@](CC)(CN)C1CC1 83057149 572190909 /nfs/dbraw/zinc/19/09/09/572190909.db2.gz HQJCCPUAGPPOPV-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@](CN)(C1CC1)[N@@H+](C)CC(C)C 83057171 572190983 /nfs/dbraw/zinc/19/09/83/572190983.db2.gz OXRHHSPQMZMEPV-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[C@@H](C)[N@H+]1CCNC(C)(C)C1 83084097 572190990 /nfs/dbraw/zinc/19/09/90/572190990.db2.gz ZUIWHKZNLFFRFI-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@@H](C)N1CC[NH2+]C(C)(C)C1 83084097 572190992 /nfs/dbraw/zinc/19/09/92/572190992.db2.gz ZUIWHKZNLFFRFI-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@@H+](C)[C@](CC)(CN)C1CC1 83057107 572191048 /nfs/dbraw/zinc/19/10/48/572191048.db2.gz SPKYWXAMYGZXMS-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H]1C[N@H+](C(C)(C)CC)CCN1 83059882 572191056 /nfs/dbraw/zinc/19/10/56/572191056.db2.gz UYOQPBLTDCZIKR-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1CN(C(C)(C)CC)CC[NH2+]1 83059882 572191060 /nfs/dbraw/zinc/19/10/60/572191060.db2.gz UYOQPBLTDCZIKR-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C)[N@H+]1CCN[C@H](CC(C)C)C1 83059659 572191080 /nfs/dbraw/zinc/19/10/80/572191080.db2.gz NOXZGCNWURCCOD-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(CC)[N@H+]1CCN[C@@](C)(CC)C1 83059823 572191116 /nfs/dbraw/zinc/19/11/16/572191116.db2.gz IBUYVFAYXAKTMX-LBPRGKRZSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)CC[C@H](C)[N@H+]1CCN[C@H](C)C1 83084536 572191125 /nfs/dbraw/zinc/19/11/25/572191125.db2.gz WIDVKBADOMUQRC-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)CC[C@H](C)N1CC[NH2+][C@H](C)C1 83084536 572191130 /nfs/dbraw/zinc/19/11/30/572191130.db2.gz WIDVKBADOMUQRC-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CCC[C@@]12C(=O)CC[N@@H+]2CC 711932171 572191198 /nfs/dbraw/zinc/19/11/98/572191198.db2.gz KLSPXTXIWDKBQD-PWSUYJOCSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[N@@H+](C(C)C)[C@](CC)(CN)C1CC1 83057135 572191322 /nfs/dbraw/zinc/19/13/22/572191322.db2.gz DTACAOKACDIKGK-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCNC[C@@H]1C(C)C 83086454 572191386 /nfs/dbraw/zinc/19/13/86/572191386.db2.gz IMNJLSQYPOHUDM-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](CC)[N@H+]1CCN[C@H](CC)C1 83084064 572191411 /nfs/dbraw/zinc/19/14/11/572191411.db2.gz UKUSYRMGUJRPQN-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](C(C)C)[N@H+]1CCN[C@H](CC)C1 83062208 572191469 /nfs/dbraw/zinc/19/14/69/572191469.db2.gz XOTUVVHLCIVKDP-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H]1C[N@@H+](CC(C)(C)C)CCN1 83061838 572191485 /nfs/dbraw/zinc/19/14/85/572191485.db2.gz NWHXHZQEVUJYNB-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H]1CN(CC(C)(C)C)CC[NH2+]1 83061838 572191487 /nfs/dbraw/zinc/19/14/87/572191487.db2.gz NWHXHZQEVUJYNB-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)[C@@H]1C[N@H+]([C@@H](C)CC)CCN1 83059616 572191885 /nfs/dbraw/zinc/19/18/85/572191885.db2.gz YSTMGLVOUDGLAQ-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1C[N@H+]([C@@H](C)CC(C)C)CCN1 83060417 572191507 /nfs/dbraw/zinc/19/15/07/572191507.db2.gz KZZUCXNJISVXSL-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CN([C@@H](C)CC(C)C)CC[NH2+]1 83060417 572191509 /nfs/dbraw/zinc/19/15/09/572191509.db2.gz KZZUCXNJISVXSL-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO FC(F)C[NH2+]CCCc1ccccc1 37755948 572191516 /nfs/dbraw/zinc/19/15/16/572191516.db2.gz RGYYUMQLWJDPSY-UHFFFAOYSA-N 1 1 199.244 2.474 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)[C@@](CC)(CN)C1CC1 83057173 572191689 /nfs/dbraw/zinc/19/16/89/572191689.db2.gz BTAUGZYEPVCOAF-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCN[C@H](C(C)C)C1 83059501 572191739 /nfs/dbraw/zinc/19/17/39/572191739.db2.gz MBBVXWZZPUVLQO-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H](C)N1CC[NH2+][C@H](C(C)C)C1 83059501 572191743 /nfs/dbraw/zinc/19/17/43/572191743.db2.gz MBBVXWZZPUVLQO-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@](CC)(CN)C1CC1 83057177 572191856 /nfs/dbraw/zinc/19/18/56/572191856.db2.gz BTAUGZYEPVCOAF-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)[C@@H]1CN([C@@H](C)CC)CC[NH2+]1 83059616 572191892 /nfs/dbraw/zinc/19/18/92/572191892.db2.gz YSTMGLVOUDGLAQ-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCCC[C@H](C)[N@H+]1CCN[C@H](C)C1 83062039 572191913 /nfs/dbraw/zinc/19/19/13/572191913.db2.gz FUMPEEHFLVHWED-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCC[C@H](C)N1CC[NH2+][C@H](C)C1 83062039 572191915 /nfs/dbraw/zinc/19/19/15/572191915.db2.gz FUMPEEHFLVHWED-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)[N@H+]1CCNC[C@@H]1C(C)C 83086492 572191934 /nfs/dbraw/zinc/19/19/34/572191934.db2.gz UYKLIJMCMAHGEP-GFCCVEGCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[C@@H](C)[N@H+]1CCN[C@H](CC)C1 83084095 572191939 /nfs/dbraw/zinc/19/19/39/572191939.db2.gz VRIFTYPFMKUICI-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@@H](C)N1CC[NH2+][C@H](CC)C1 83084095 572191940 /nfs/dbraw/zinc/19/19/40/572191940.db2.gz VRIFTYPFMKUICI-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H]1CNCC[N@H+]1[C@@H](C)CC(C)C 83086569 572191994 /nfs/dbraw/zinc/19/19/94/572191994.db2.gz GPEATUFFCVRYJD-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H](CC)[N@H+]1CCN[C@H](CC)C1 83084063 572192010 /nfs/dbraw/zinc/19/20/10/572192010.db2.gz UKUSYRMGUJRPQN-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]1C[N@H+](C(CC)CC)CCN1 83059847 572192016 /nfs/dbraw/zinc/19/20/16/572192016.db2.gz CGWHDUYWCGTFAU-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]1CN(C(CC)CC)CC[NH2+]1 83059847 572192019 /nfs/dbraw/zinc/19/20/19/572192019.db2.gz CGWHDUYWCGTFAU-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C)[N@@H+]1CCN[C@H]([C@H](C)CC)C1 83059614 572192032 /nfs/dbraw/zinc/19/20/32/572192032.db2.gz YSTMGLVOUDGLAQ-WOPDTQHZSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)N1CC[NH2+][C@H]([C@H](C)CC)C1 83059614 572192034 /nfs/dbraw/zinc/19/20/34/572192034.db2.gz YSTMGLVOUDGLAQ-WOPDTQHZSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[N@@H+](C)[C@@](CC)(CN)C1CC1 83057105 572192084 /nfs/dbraw/zinc/19/20/84/572192084.db2.gz SPKYWXAMYGZXMS-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC(CC)[N@H+]1C[C@@H](C)NC[C@H]1CC 83085195 572192130 /nfs/dbraw/zinc/19/21/30/572192130.db2.gz JZSCSAZBOLDBPG-ZYHUDNBSSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@@H](CC)[N@H+]1CCNC(C)(C)C1 83084065 572192147 /nfs/dbraw/zinc/19/21/47/572192147.db2.gz CLEMGHRCYQKQAR-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H](C)[N@H+]1C[C@H](C)NC[C@@H]1CC 83085076 572192164 /nfs/dbraw/zinc/19/21/64/572192164.db2.gz BXHYSODULFZONK-SRVKXCTJSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[N@@H+](CC)[C@@](CC)(CN)C1CC1 83057147 572192333 /nfs/dbraw/zinc/19/23/33/572192333.db2.gz HQJCCPUAGPPOPV-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCN[C@@](C)(CC)C1 83059515 572192291 /nfs/dbraw/zinc/19/22/91/572192291.db2.gz NAZKJPQMOVTICR-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H](C)N1CC[NH2+][C@@](C)(CC)C1 83059515 572192293 /nfs/dbraw/zinc/19/22/93/572192293.db2.gz NAZKJPQMOVTICR-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@](CN)(C1CC1)[N@@H+](C)CC(C)C 83057166 572192307 /nfs/dbraw/zinc/19/23/07/572192307.db2.gz OXRHHSPQMZMEPV-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](C(C)C)[C@@](CC)(CN)C1CC1 83057137 572192322 /nfs/dbraw/zinc/19/23/22/572192322.db2.gz DTACAOKACDIKGK-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)[N@H+]1CCNC(CC)(CC)C1 83059650 572192352 /nfs/dbraw/zinc/19/23/52/572192352.db2.gz DIVZDTBSQPSRMZ-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C)N1CC[NH2+]C(CC)(CC)C1 83059650 572192353 /nfs/dbraw/zinc/19/23/53/572192353.db2.gz DIVZDTBSQPSRMZ-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]1C[N@H+](C(C)(C)CC)CCN1 83059880 572192373 /nfs/dbraw/zinc/19/23/73/572192373.db2.gz UYOQPBLTDCZIKR-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]1CN(C(C)(C)CC)CC[NH2+]1 83059880 572192375 /nfs/dbraw/zinc/19/23/75/572192375.db2.gz UYOQPBLTDCZIKR-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H]1C[N@H+]([C@@H](C)CC(C)C)CCN1 83060420 572192535 /nfs/dbraw/zinc/19/25/35/572192535.db2.gz KZZUCXNJISVXSL-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CN([C@@H](C)CC(C)C)CC[NH2+]1 83060420 572192536 /nfs/dbraw/zinc/19/25/36/572192536.db2.gz KZZUCXNJISVXSL-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H](CC)[N@H+]1CCNC[C@@H]1CC 83087174 572192579 /nfs/dbraw/zinc/19/25/79/572192579.db2.gz IYJJUWCLOQXGQQ-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@H+]1CCNC[C@H]1CC 83086798 572192635 /nfs/dbraw/zinc/19/26/35/572192635.db2.gz YXUCXTFMGHQJHP-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CN[C@H](C)C[N@H+]1[C@@H](C)C(C)C 83085290 572192654 /nfs/dbraw/zinc/19/26/54/572192654.db2.gz ZQVVXQLOUQBYFF-WOPDTQHZSA-N 1 1 198.354 2.103 10 0 AEAEMO CCC(CC)[C@@H](C)[N@H+]1CCN[C@H](C)C1 83084514 572192660 /nfs/dbraw/zinc/19/26/60/572192660.db2.gz YKNGGRWRQFLCAM-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1C[N@@H+]([C@@H](C)[C@@H](C)CC)CCN1 83061966 572192681 /nfs/dbraw/zinc/19/26/81/572192681.db2.gz NWUYLDQLXNZVJH-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[C@H](C)[N@H+]1CCN[C@H](CC)C1 83084096 572192696 /nfs/dbraw/zinc/19/26/96/572192696.db2.gz VRIFTYPFMKUICI-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@H](C)N1CC[NH2+][C@H](CC)C1 83084096 572192700 /nfs/dbraw/zinc/19/27/00/572192700.db2.gz VRIFTYPFMKUICI-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCN[C@H](CC(C)C)C1 83059657 572192707 /nfs/dbraw/zinc/19/27/07/572192707.db2.gz NOXZGCNWURCCOD-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)N1CC[NH2+][C@H](CC(C)C)C1 83059657 572192709 /nfs/dbraw/zinc/19/27/09/572192709.db2.gz NOXZGCNWURCCOD-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C(C)C)[N@H+]1CCNC[C@H]1CC 83086816 572192715 /nfs/dbraw/zinc/19/27/15/572192715.db2.gz QAPYUSBZAORNCI-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(CC)[C@H](C)[N@H+]1CCN[C@H](C)C1 83084515 572192733 /nfs/dbraw/zinc/19/27/33/572192733.db2.gz YKNGGRWRQFLCAM-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[N@H+]1C[C@H](C(C)C)NC[C@@H]1C 83085115 572192782 /nfs/dbraw/zinc/19/27/82/572192782.db2.gz JQRBELOIGXPTQS-GRYCIOLGSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@@H](C)N1C[C@H](C(C)C)[NH2+]C[C@@H]1C 83085115 572192785 /nfs/dbraw/zinc/19/27/85/572192785.db2.gz JQRBELOIGXPTQS-GRYCIOLGSA-N 1 1 198.354 2.103 10 0 AEAEMO CCCC[C@H](C)[N@H+]1C[C@H](C)NC[C@@H]1C 83085956 572192819 /nfs/dbraw/zinc/19/28/19/572192819.db2.gz NEUMGLVEKDYPLP-SRVKXCTJSA-N 1 1 198.354 2.247 10 0 AEAEMO CCCC[C@H](C)N1C[C@H](C)[NH2+]C[C@@H]1C 83085956 572192821 /nfs/dbraw/zinc/19/28/21/572192821.db2.gz NEUMGLVEKDYPLP-SRVKXCTJSA-N 1 1 198.354 2.247 10 0 AEAEMO CCCC[C@H](C)[N@H+]1CCNC(C)(C)C1 83084098 572192893 /nfs/dbraw/zinc/19/28/93/572192893.db2.gz ZUIWHKZNLFFRFI-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@H](C)N1CC[NH2+]C(C)(C)C1 83084098 572192897 /nfs/dbraw/zinc/19/28/97/572192897.db2.gz ZUIWHKZNLFFRFI-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H]1CNCC[N@@H+]1[C@@H](CC)C(C)C 83086817 572192902 /nfs/dbraw/zinc/19/29/02/572192902.db2.gz QAPYUSBZAORNCI-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(CC)N1CC[NH2+][C@H](C(C)C)C1 83059810 572192990 /nfs/dbraw/zinc/19/29/90/572192990.db2.gz FEMDSSMDGCZIGS-LBPRGKRZSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@@H+](CC1CC1)C(CC)(CC)CN 70184981 572192994 /nfs/dbraw/zinc/19/29/94/572192994.db2.gz IKFVQVXIPHMRJU-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H](C)[N@@H+]1CCN[C@@H]([C@H](C)CC)C1 83059618 572192996 /nfs/dbraw/zinc/19/29/96/572192996.db2.gz YSTMGLVOUDGLAQ-GRYCIOLGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)N1CC[NH2+][C@@H]([C@H](C)CC)C1 83059618 572192997 /nfs/dbraw/zinc/19/29/97/572192997.db2.gz YSTMGLVOUDGLAQ-GRYCIOLGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CN[C@@H](C)C[N@H+]1[C@@H](C)C(C)C 83085292 572192976 /nfs/dbraw/zinc/19/29/76/572192976.db2.gz ZQVVXQLOUQBYFF-SRVKXCTJSA-N 1 1 198.354 2.103 10 0 AEAEMO CCC(CC)[N@H+]1CCN[C@H](C(C)C)C1 83059810 572192987 /nfs/dbraw/zinc/19/29/87/572192987.db2.gz FEMDSSMDGCZIGS-LBPRGKRZSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](CC)[N@H+]1CCNC(C)(C)C1 83084066 572193069 /nfs/dbraw/zinc/19/30/69/572193069.db2.gz CLEMGHRCYQKQAR-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)[N@H+]1CCNC[C@H]1C(C)C 83086493 572193081 /nfs/dbraw/zinc/19/30/81/572193081.db2.gz UYKLIJMCMAHGEP-LBPRGKRZSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](CC)[N@H+]1CCNC[C@@H]1CC 83087176 572193099 /nfs/dbraw/zinc/19/30/99/572193099.db2.gz IYJJUWCLOQXGQQ-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[N@H+]1CCC(=O)[C@]1(C(C)C)C1CC1 711933520 572193116 /nfs/dbraw/zinc/19/31/16/572193116.db2.gz PHDDDOVYIINXBY-LBPRGKRZSA-N 1 1 195.306 2.086 10 0 AEAEMO CCC(CC)[N@H+]1CCN[C@@H](C(C)C)C1 83059812 572193118 /nfs/dbraw/zinc/19/31/18/572193118.db2.gz FEMDSSMDGCZIGS-GFCCVEGCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(CC)N1CC[NH2+][C@@H](C(C)C)C1 83059812 572193121 /nfs/dbraw/zinc/19/31/21/572193121.db2.gz FEMDSSMDGCZIGS-GFCCVEGCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1C[N@@H+](CC(C)(C)C)CCN1 83061837 572193142 /nfs/dbraw/zinc/19/31/42/572193142.db2.gz NWHXHZQEVUJYNB-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H]1CN(CC(C)(C)C)CC[NH2+]1 83061837 572193143 /nfs/dbraw/zinc/19/31/43/572193143.db2.gz NWHXHZQEVUJYNB-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H]1C[N@H+](CCCC(C)C)CCN1 83084288 572193188 /nfs/dbraw/zinc/19/31/88/572193188.db2.gz PPBWABMGJFTJLQ-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H]1C[N@@H+](CCCC(C)C)CCN1 83084288 572193191 /nfs/dbraw/zinc/19/31/91/572193191.db2.gz PPBWABMGJFTJLQ-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCNC(CC)(CC)C1 83059648 572193292 /nfs/dbraw/zinc/19/32/92/572193292.db2.gz DIVZDTBSQPSRMZ-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](C)N1CC[NH2+]C(CC)(CC)C1 83059648 572193293 /nfs/dbraw/zinc/19/32/93/572193293.db2.gz DIVZDTBSQPSRMZ-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H](CC)[N@H+]1C[C@H](C)NC[C@@H]1C 83085944 572193350 /nfs/dbraw/zinc/19/33/50/572193350.db2.gz VJDAJTYASZQURW-SRVKXCTJSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCNC[C@@H]1C(C)C 83086453 572193361 /nfs/dbraw/zinc/19/33/61/572193361.db2.gz IMNJLSQYPOHUDM-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)[N@H+]1C[C@H](CC)NC[C@@H]1C 83088091 572193734 /nfs/dbraw/zinc/19/37/34/572193734.db2.gz XVMSDXSYBKIAQQ-SRVKXCTJSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@H](C)N1C[C@H](CC)[NH2+]C[C@@H]1C 83088091 572193736 /nfs/dbraw/zinc/19/37/36/572193736.db2.gz XVMSDXSYBKIAQQ-SRVKXCTJSA-N 1 1 198.354 2.247 10 0 AEAEMO CCCC[C@@H](C)[N@H+]1CCCN[C@H](C)C1 83093025 572193746 /nfs/dbraw/zinc/19/37/46/572193746.db2.gz PGGCXFKFNZWXNJ-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@@H](C)N1CCC[NH2+][C@H](C)C1 83093025 572193750 /nfs/dbraw/zinc/19/37/50/572193750.db2.gz PGGCXFKFNZWXNJ-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1C[N@H+](C2CC2)[C@H](CC)CN1 83088374 572193767 /nfs/dbraw/zinc/19/37/67/572193767.db2.gz WIPLHHXSDQVKSQ-WDEREUQCSA-N 1 1 196.338 2.001 10 0 AEAEMO CCC[C@H]1C[N@@H+](C2CC2)[C@H](CC)CN1 83088374 572193771 /nfs/dbraw/zinc/19/37/71/572193771.db2.gz WIPLHHXSDQVKSQ-WDEREUQCSA-N 1 1 196.338 2.001 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCCN[C@H](CC)C1 83091372 572193849 /nfs/dbraw/zinc/19/38/49/572193849.db2.gz HKYUUVHIXDLOFQ-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]1C[N@H+]([C@@H](C)CC)CCCN1 83091437 572194614 /nfs/dbraw/zinc/19/46/14/572194614.db2.gz GXNQGSTZSVWVGH-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1CN([C@@H](C)CC)CCC[NH2+]1 83091438 572193926 /nfs/dbraw/zinc/19/39/26/572193926.db2.gz GXNQGSTZSVWVGH-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1C[N@H+]([C@@H](C)CC)CCCN1 83091438 572193924 /nfs/dbraw/zinc/19/39/24/572193924.db2.gz GXNQGSTZSVWVGH-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCCN[C@H](CC)C1 83091373 572193995 /nfs/dbraw/zinc/19/39/95/572193995.db2.gz HKYUUVHIXDLOFQ-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]1CN([C@@H](C)CC)CCC[NH2+]1 83091437 572194618 /nfs/dbraw/zinc/19/46/18/572194618.db2.gz GXNQGSTZSVWVGH-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]1C[N@H+](C2CC2)[C@H](CC)CN1 83088372 572194066 /nfs/dbraw/zinc/19/40/66/572194066.db2.gz WIPLHHXSDQVKSQ-GHMZBOCLSA-N 1 1 196.338 2.001 10 0 AEAEMO CCC[C@@H]1C[N@@H+](C2CC2)[C@H](CC)CN1 83088372 572194068 /nfs/dbraw/zinc/19/40/68/572194068.db2.gz WIPLHHXSDQVKSQ-GHMZBOCLSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H]1CNCC[N@H+]1CCCC(C)C 83087354 572194111 /nfs/dbraw/zinc/19/41/11/572194111.db2.gz UATPNLSGYOSSLU-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H]1C[NH2+]CCN1CCCC(C)C 83087354 572194114 /nfs/dbraw/zinc/19/41/14/572194114.db2.gz UATPNLSGYOSSLU-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)CCC[N@H+]1CCCN[C@H](C)C1 83099796 572194386 /nfs/dbraw/zinc/19/43/86/572194386.db2.gz LKBNNDNIWVRBJD-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)CCCN1CCC[NH2+][C@H](C)C1 83099796 572194389 /nfs/dbraw/zinc/19/43/89/572194389.db2.gz LKBNNDNIWVRBJD-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@@H](CC)NC[C@H]1CC 83088286 572194532 /nfs/dbraw/zinc/19/45/32/572194532.db2.gz RMBXTVSRDIWYKI-QJPTWQEYSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@@H]1C[N@@H+]([C@@H](C)CC)[C@H](C)CN1 83088273 572194558 /nfs/dbraw/zinc/19/45/58/572194558.db2.gz QFOQILBLYIXZIO-QJPTWQEYSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@@H]1CN([C@@H](C)CC)[C@H](C)C[NH2+]1 83088273 572194563 /nfs/dbraw/zinc/19/45/63/572194563.db2.gz QFOQILBLYIXZIO-QJPTWQEYSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(CC)[N@H+]1C[C@H](CC)NC[C@H]1C 83088584 572194645 /nfs/dbraw/zinc/19/46/45/572194645.db2.gz LSBALMBQQOFTIT-MNOVXSKESA-N 1 1 198.354 2.247 10 0 AEAEMO CCCC[C@H](C)[N@H+]1CCNC[C@@H]1CC 83087190 572194684 /nfs/dbraw/zinc/19/46/84/572194684.db2.gz BTTPOMHXJZZUCM-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@H](C)N1CC[NH2+]C[C@@H]1CC 83087190 572194687 /nfs/dbraw/zinc/19/46/87/572194687.db2.gz BTTPOMHXJZZUCM-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H](CC)[N@H+]1CCCN[C@H](C)C1 83092996 572194838 /nfs/dbraw/zinc/19/48/38/572194838.db2.gz FCDLMKBIWGTGQY-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@@H](C)[N@H+]1CCNC[C@@H]1CC 83087188 572194920 /nfs/dbraw/zinc/19/49/20/572194920.db2.gz BTTPOMHXJZZUCM-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@@H](C)N1CC[NH2+]C[C@@H]1CC 83087188 572194923 /nfs/dbraw/zinc/19/49/23/572194923.db2.gz BTTPOMHXJZZUCM-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1CN(C[C@H](C)CC)CC[NH2+]1 251283402 572195144 /nfs/dbraw/zinc/19/51/44/572195144.db2.gz FHXJLLMFCVRTLT-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H]1C[N@@H+](C[C@H](C)CC)CCN1 251283402 572195141 /nfs/dbraw/zinc/19/51/41/572195141.db2.gz FHXJLLMFCVRTLT-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CN1CCC([NH3+])(CCC(C)(C)C)CC1 687793032 572195479 /nfs/dbraw/zinc/19/54/79/572195479.db2.gz WPKDDSXADYQAES-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[N@H+]1CCC(=O)[C@@]1(C(C)C)C1CC1 711933515 572195620 /nfs/dbraw/zinc/19/56/20/572195620.db2.gz PHDDDOVYIINXBY-GFCCVEGCSA-N 1 1 195.306 2.086 10 0 AEAEMO CC(C)CCC[N@H+]1CCCN[C@@H](C)C1 83093224 572195688 /nfs/dbraw/zinc/19/56/88/572195688.db2.gz LKBNNDNIWVRBJD-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)CCCN1CCC[NH2+][C@@H](C)C1 83093224 572195691 /nfs/dbraw/zinc/19/56/91/572195691.db2.gz LKBNNDNIWVRBJD-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC(CC)CC1([NH3+])CCN(C)CC1 687792929 572195780 /nfs/dbraw/zinc/19/57/80/572195780.db2.gz FZNXNXSFIHYNPQ-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC(CC)[N@H+]1CCCN[C@H](CC)C1 83091594 572195808 /nfs/dbraw/zinc/19/58/08/572195808.db2.gz MKBGCHCZWBVBHP-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]1C[N@@H+](C[C@H](C)CC)CCN1 251283405 572195855 /nfs/dbraw/zinc/19/58/55/572195855.db2.gz FHXJLLMFCVRTLT-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H]1CN(C[C@H](C)CC)CC[NH2+]1 251283405 572195857 /nfs/dbraw/zinc/19/58/57/572195857.db2.gz FHXJLLMFCVRTLT-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[C@H](C)[N@H+]1CCCN[C@H](C)C1 83093027 572195890 /nfs/dbraw/zinc/19/58/90/572195890.db2.gz PGGCXFKFNZWXNJ-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@H](C)N1CCC[NH2+][C@H](C)C1 83093027 572195892 /nfs/dbraw/zinc/19/58/92/572195892.db2.gz PGGCXFKFNZWXNJ-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)[C@@H](C)[N@H+]1CCNC[C@@H]1C 83087523 572195900 /nfs/dbraw/zinc/19/59/00/572195900.db2.gz WVRJQSVPWWVNPD-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO Cc1[nH]c(C)c(-c2cccc(N)c2)[nH+]1 36155403 572195915 /nfs/dbraw/zinc/19/59/15/572195915.db2.gz NFPDYXLCSXIIRY-UHFFFAOYSA-N 1 1 187.246 2.276 10 0 AEAEMO CCC[C@@H](CC)[N@H+]1CCCN[C@H](C)C1 83092995 572196208 /nfs/dbraw/zinc/19/62/08/572196208.db2.gz FCDLMKBIWGTGQY-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]1CCC[N@@H+](CCCO)CC1 70212642 572196495 /nfs/dbraw/zinc/19/64/95/572196495.db2.gz PJDXZQIFRQXYME-GFCCVEGCSA-N 1 1 199.338 2.271 10 0 AEAEMO CCCCC[N@H+]1[C@@H](C)CCNC[C@H]1C 249912216 572196827 /nfs/dbraw/zinc/19/68/27/572196827.db2.gz YZMOLASJBMXODW-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCCN1[C@@H](C)CC[NH2+]C[C@H]1C 249912216 572196829 /nfs/dbraw/zinc/19/68/29/572196829.db2.gz YZMOLASJBMXODW-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO Cc1[nH+]c2c(N)cc(Cl)cn2c1C 36242486 572197025 /nfs/dbraw/zinc/19/70/25/572197025.db2.gz DHAJJQBDKCFWDJ-UHFFFAOYSA-N 1 1 195.653 2.187 10 0 AEAEMO CCCCC[N@H+]1[C@H](C)CCNC[C@H]1C 249912220 572198203 /nfs/dbraw/zinc/19/82/03/572198203.db2.gz YZMOLASJBMXODW-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCCN1[C@H](C)CC[NH2+]C[C@H]1C 249912220 572198208 /nfs/dbraw/zinc/19/82/08/572198208.db2.gz YZMOLASJBMXODW-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@H+]1CCCC[C@@H]1CC[C@H](C)O 249961143 572199241 /nfs/dbraw/zinc/19/92/41/572199241.db2.gz JOJZQPQKEKEKDK-NWDGAFQWSA-N 1 1 199.338 2.412 10 0 AEAEMO Cc1cc(N)c2[nH+]c(C(C)C)cn2c1 36242335 572199476 /nfs/dbraw/zinc/19/94/76/572199476.db2.gz QLNYKTYGOZFNOI-UHFFFAOYSA-N 1 1 189.262 2.348 10 0 AEAEMO CC[NH2+][C@H](C)c1nc(C2CCC2)no1 83137302 572200058 /nfs/dbraw/zinc/20/00/58/572200058.db2.gz YTZHXEDURSVYQQ-SSDOTTSWSA-N 1 1 195.266 2.008 10 0 AEAEMO CCC[NH2+]Cc1c[nH]c(C2CCC2)n1 83136754 572200392 /nfs/dbraw/zinc/20/03/92/572200392.db2.gz KQCQCFVCJKNNSE-UHFFFAOYSA-N 1 1 193.294 2.177 10 0 AEAEMO CC(C)[NH2+]Cc1c[nH]c(C2CCC2)n1 83136756 572200507 /nfs/dbraw/zinc/20/05/07/572200507.db2.gz AXHPEEKJUVEDCR-UHFFFAOYSA-N 1 1 193.294 2.175 10 0 AEAEMO CCC[C@@H]1CCCC[N@H+]1[C@@H](C)[C@H](C)N 251302895 572200748 /nfs/dbraw/zinc/20/07/48/572200748.db2.gz HVBSEBRHBCPXEN-SDDRHHMPSA-N 1 1 198.354 2.377 10 0 AEAEMO CC[NH2+][C@@H](C)c1nc(C2CCC2)no1 83137297 572201253 /nfs/dbraw/zinc/20/12/53/572201253.db2.gz YTZHXEDURSVYQQ-ZETCQYMHSA-N 1 1 195.266 2.008 10 0 AEAEMO CCC[N@H+]1CCCC[C@H]1CC[C@H](C)O 249961146 572201855 /nfs/dbraw/zinc/20/18/55/572201855.db2.gz JOJZQPQKEKEKDK-RYUDHWBXSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC[C@@H]1CCCC[N@H+]1[C@H](C)[C@H](C)N 251302891 572201726 /nfs/dbraw/zinc/20/17/26/572201726.db2.gz HVBSEBRHBCPXEN-QJPTWQEYSA-N 1 1 198.354 2.377 10 0 AEAEMO Cc1ccc([C@H]([NH3+])c2cccnc2)o1 43610086 572201872 /nfs/dbraw/zinc/20/18/72/572201872.db2.gz CYUYLCVEPIZOIE-LLVKDONJSA-N 1 1 188.230 2.031 10 0 AEAEMO CC(C)[N@H+]1[C@H](C)CC1(C)C 687712371 572202791 /nfs/dbraw/zinc/20/27/91/572202791.db2.gz XNXUWHWKPKZBQY-MRVPVSSYSA-N 1 1 141.258 2.268 10 0 AEAEMO CCCCc1[nH]c2c(N)cccc2[nH+]1 36281868 572203645 /nfs/dbraw/zinc/20/36/45/572203645.db2.gz QEOUJDUMARGRNL-UHFFFAOYSA-N 1 1 189.262 2.488 10 0 AEAEMO CC(C)C[N@H+]1CCCSC1 687712352 572204471 /nfs/dbraw/zinc/20/44/71/572204471.db2.gz WZJZZFQOOIUVHA-UHFFFAOYSA-N 1 1 159.298 2.039 10 0 AEAEMO CC(C)[N@H+]1[C@@H](C)CC1(C)C 687712372 572204555 /nfs/dbraw/zinc/20/45/55/572204555.db2.gz XNXUWHWKPKZBQY-QMMMGPOBSA-N 1 1 141.258 2.268 10 0 AEAEMO Cc1ccc([C@@H]([NH3+])c2cccnc2)o1 43610089 572204628 /nfs/dbraw/zinc/20/46/28/572204628.db2.gz CYUYLCVEPIZOIE-NSHDSACASA-N 1 1 188.230 2.031 10 0 AEAEMO CCC[C@@H]1CCCC[N@H+]1[C@H](C)[C@@H](C)N 251302888 572205593 /nfs/dbraw/zinc/20/55/93/572205593.db2.gz HVBSEBRHBCPXEN-IJLUTSLNSA-N 1 1 198.354 2.377 10 0 AEAEMO CCC[N@H+]1CCC(=O)[C@H]1C(CC)CC 711952184 572206150 /nfs/dbraw/zinc/20/61/50/572206150.db2.gz PYSXOSVOTJPSLG-GFCCVEGCSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC[N@@H+](CC)[C@]1(CN)CCC[C@@H]1C 83392323 572206816 /nfs/dbraw/zinc/20/68/16/572206816.db2.gz DKQRIEPHSIESAO-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[N@H+]1CC[C@H](N)[C@@]1(CC)CCC 711953502 572206524 /nfs/dbraw/zinc/20/65/24/572206524.db2.gz LAORTZBVSXGGLP-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CC(C)CCNc1ccc(N)[nH+]c1 19961494 572206735 /nfs/dbraw/zinc/20/67/35/572206735.db2.gz IHUUNCNVYUQWNZ-UHFFFAOYSA-N 1 1 179.267 2.122 10 0 AEAEMO CC(C)C[N@@H+](C)[C@@]1(CN)CCC[C@H]1C 83392339 572206877 /nfs/dbraw/zinc/20/68/77/572206877.db2.gz FYXNWGJABJUHDB-VXGBXAGGSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(CC)(CC)[N@H+]1CC[C@@H](NC)C1 83388179 572206912 /nfs/dbraw/zinc/20/69/12/572206912.db2.gz KKPPWBUONYDDMU-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)(CC)N1CC[C@@H]([NH2+]C)C1 83388179 572206915 /nfs/dbraw/zinc/20/69/15/572206915.db2.gz KKPPWBUONYDDMU-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)(CC)[N@H+]1CCNC[C@H]1C 83388465 572206950 /nfs/dbraw/zinc/20/69/50/572206950.db2.gz DAQZSSQIMZSUCF-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@]1(CC)C(=O)CC[N@@H+]1C1CC1 711950338 572207013 /nfs/dbraw/zinc/20/70/13/572207013.db2.gz JVOQPTUSWQHCOE-GFCCVEGCSA-N 1 1 195.306 2.373 10 0 AEAEMO CCC[C@]1(CC)C(=O)CC[N@H+]1C1CC1 711950338 572207017 /nfs/dbraw/zinc/20/70/17/572207017.db2.gz JVOQPTUSWQHCOE-GFCCVEGCSA-N 1 1 195.306 2.373 10 0 AEAEMO CCC[C@H]1SCC[N@H+]1CC 687712396 572207030 /nfs/dbraw/zinc/20/70/30/572207030.db2.gz PXKIQZBDKUGSAH-MRVPVSSYSA-N 1 1 159.298 2.181 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)C[C@@H](OC)C(C)C 687822404 572207032 /nfs/dbraw/zinc/20/70/32/572207032.db2.gz KOXMEJFCRKOYNA-GHMZBOCLSA-N 1 1 187.327 2.388 10 0 AEAEMO CCC(CC)(CC)[N@H+]1CCC[C@H](N)C1 83388419 572207075 /nfs/dbraw/zinc/20/70/75/572207075.db2.gz ZSUUZBJXTWCCOT-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[N@@H+](CC)[C@@]1(CN)CCC[C@@H]1C 83392325 572207370 /nfs/dbraw/zinc/20/73/70/572207370.db2.gz DKQRIEPHSIESAO-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC(CC)(CC)[N@H+]1CCC(=O)C1 83388157 572207381 /nfs/dbraw/zinc/20/73/81/572207381.db2.gz LZWJQFPWVVMTRK-UHFFFAOYSA-N 1 1 183.295 2.230 10 0 AEAEMO CCC(CC)(CC)[N@H+]1CCN[C@H](C)C1 83388458 572207507 /nfs/dbraw/zinc/20/75/07/572207507.db2.gz JRXZGTRXVOPWCR-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)C[N@@H+](C)[C@]1(CN)CCC[C@@H]1C 83392338 572207547 /nfs/dbraw/zinc/20/75/47/572207547.db2.gz FYXNWGJABJUHDB-RYUDHWBXSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](C(C)C)[C@@]1(CN)CCC[C@@H]1C 83392304 572207581 /nfs/dbraw/zinc/20/75/81/572207581.db2.gz OPWDVZUIHMGFBJ-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[N@@H+](C)[C@]1(CN)CCC[C@@H]1C 83392241 572208133 /nfs/dbraw/zinc/20/81/33/572208133.db2.gz PDKKXVBFVKRPGV-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC(CC)(CC)[NH2+]CC(C)(C)N 83388642 572207731 /nfs/dbraw/zinc/20/77/31/572207731.db2.gz PAEVWYJHPDZRGJ-UHFFFAOYSA-N 1 1 186.343 2.282 10 0 AEAEMO CCCC[N@@H+](C)[C@@]1(CN)CCC[C@@H]1C 83392244 572207746 /nfs/dbraw/zinc/20/77/46/572207746.db2.gz PDKKXVBFVKRPGV-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H](C)[N@@H+](C)C[C@@H](OC)C(C)C 687822407 572207771 /nfs/dbraw/zinc/20/77/71/572207771.db2.gz KOXMEJFCRKOYNA-WDEREUQCSA-N 1 1 187.327 2.388 10 0 AEAEMO CCC(CC)(CC)[N@H+]1CCCNCC1 83388333 572207863 /nfs/dbraw/zinc/20/78/63/572207863.db2.gz AEKPXUCKZVTBRL-UHFFFAOYSA-N 1 1 198.354 2.251 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)C[C@H](OC)C(C)C 687822405 572207901 /nfs/dbraw/zinc/20/79/01/572207901.db2.gz KOXMEJFCRKOYNA-MNOVXSKESA-N 1 1 187.327 2.388 10 0 AEAEMO CC[C@H](C)[N@@H+](C)C[C@H](OC)C(C)C 687822406 572208106 /nfs/dbraw/zinc/20/81/06/572208106.db2.gz KOXMEJFCRKOYNA-QWRGUYRKSA-N 1 1 187.327 2.388 10 0 AEAEMO CCC[N@H+]1CCC(=O)[C@@H]1C(CC)CC 711952187 572208277 /nfs/dbraw/zinc/20/82/77/572208277.db2.gz PYSXOSVOTJPSLG-LBPRGKRZSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(C)C[N@@H+](C)[C@]1(CN)CCC[C@H]1C 83392337 572208336 /nfs/dbraw/zinc/20/83/36/572208336.db2.gz FYXNWGJABJUHDB-NEPJUHHUSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(CC)(CC)[N@H+]1CC[C@@H](CO)C1 83388393 572208369 /nfs/dbraw/zinc/20/83/69/572208369.db2.gz OISMTXLTWMYJCV-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC(CC)(CC)[N@H+]1CCNC[C@@H]1C 83388464 572208438 /nfs/dbraw/zinc/20/84/38/572208438.db2.gz DAQZSSQIMZSUCF-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)(CC)[N@H+]1CCN[C@@H](C)C1 83388459 572208543 /nfs/dbraw/zinc/20/85/43/572208543.db2.gz JRXZGTRXVOPWCR-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]1SCC[N@H+]1CC 687712397 572208564 /nfs/dbraw/zinc/20/85/64/572208564.db2.gz PXKIQZBDKUGSAH-QMMMGPOBSA-N 1 1 159.298 2.181 10 0 AEAEMO CCC(CC)(CC)[N@H+]1CCC[C@@H](N)C1 83388420 572208808 /nfs/dbraw/zinc/20/88/08/572208808.db2.gz ZSUUZBJXTWCCOT-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@]1(CN)CCC[C@@H]1C 83402382 572209853 /nfs/dbraw/zinc/20/98/53/572209853.db2.gz VMGFWEMGRMGDJK-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](N)[C@H](CC)[N@H+]1CC[C@H](C)C1 40718077 572210267 /nfs/dbraw/zinc/21/02/67/572210267.db2.gz UOUXQIZUDJXADO-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[N@@H+](C)[C@@]1(CN)CCC[C@@H]1C 83402380 572210713 /nfs/dbraw/zinc/21/07/13/572210713.db2.gz FYXNWGJABJUHDB-NWDGAFQWSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCCC[C@@H](CN)[N@H+]1CC[C@H](C)C1 40717338 572211137 /nfs/dbraw/zinc/21/11/37/572211137.db2.gz HZOMECAZABEREB-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC(CC)[C@H](CN)[N@H+]1CC[C@H](C)C1 40717149 572211381 /nfs/dbraw/zinc/21/13/81/572211381.db2.gz ICBJCISLXIFVNF-JQWIXIFHSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@@](C)(CN)[N@H+]1CC[C@H](C)C1 40717225 572211674 /nfs/dbraw/zinc/21/16/74/572211674.db2.gz NUSWYEDXFGDXRX-RYUDHWBXSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(CC)[C@@H](CN)[N@H+]1CC[C@H](C)C1 40717148 572212001 /nfs/dbraw/zinc/21/20/01/572212001.db2.gz ICBJCISLXIFVNF-CMPLNLGQSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCCC[C@H](CN)[N@H+]1CC[C@H](C)C1 40717340 572212441 /nfs/dbraw/zinc/21/24/41/572212441.db2.gz HZOMECAZABEREB-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H](N)[C@@H](CC)[N@H+]1CC[C@H](C)C1 40718073 572212895 /nfs/dbraw/zinc/21/28/95/572212895.db2.gz UOUXQIZUDJXADO-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO C[NH2+][C@@H](Cc1ccoc1)C(C)(F)F 393359969 572212966 /nfs/dbraw/zinc/21/29/66/572212966.db2.gz TXUFLTNUXSONJK-QMMMGPOBSA-N 1 1 189.205 2.065 10 0 AEAEMO CC(C)CCNc1[nH+]cccc1N 20278712 572214542 /nfs/dbraw/zinc/21/45/42/572214542.db2.gz IJINVNNAZFNFLY-UHFFFAOYSA-N 1 1 179.267 2.122 10 0 AEAEMO CC[N@@H+](CC1(O)CCCC1)C1CCC1 687795478 572214968 /nfs/dbraw/zinc/21/49/68/572214968.db2.gz BHKJZVAHHDSNSJ-UHFFFAOYSA-N 1 1 197.322 2.166 10 0 AEAEMO CCC[N@H+]1CCC[C@](O)(CCC)CC1 83423680 572216450 /nfs/dbraw/zinc/21/64/50/572216450.db2.gz STJSKDAYMPLKOP-GFCCVEGCSA-N 1 1 199.338 2.414 10 0 AEAEMO CCC[C@@H](C)[NH2+][C@@H]1CCCN(C)CC1 83417750 572216614 /nfs/dbraw/zinc/21/66/14/572216614.db2.gz FYVVRLISHYNSSZ-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCC[NH2+][C@H]1CCCN(C)CC1 83417748 572216812 /nfs/dbraw/zinc/21/68/12/572216812.db2.gz OSWAZTPCWHJKGO-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCC[N@H+]1CCC[C@@](O)(CCC)CC1 83423678 572216820 /nfs/dbraw/zinc/21/68/20/572216820.db2.gz STJSKDAYMPLKOP-LBPRGKRZSA-N 1 1 199.338 2.414 10 0 AEAEMO CCC[C@H](C)[NH2+][C@H]1CCCN(C)CC1 83417757 572216965 /nfs/dbraw/zinc/21/69/65/572216965.db2.gz FYVVRLISHYNSSZ-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)[NH2+][C@@H]1CCCN(C)CC1 83417726 572217115 /nfs/dbraw/zinc/21/71/15/572217115.db2.gz LWLNUOKHEMQCFG-GFCCVEGCSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)[NH2+][C@H]1CCCN(C)CC1 83417728 572217439 /nfs/dbraw/zinc/21/74/39/572217439.db2.gz LWLNUOKHEMQCFG-LBPRGKRZSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C)C[NH2+][C@@H]1CCCN(C)CC1 83418837 572217495 /nfs/dbraw/zinc/21/74/95/572217495.db2.gz QLOYLKBNFBPNAT-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CSc1cc(C)[nH+]c(C)c1N 140421207 572217627 /nfs/dbraw/zinc/21/76/27/572217627.db2.gz LHSQVCNGBOBLCJ-UHFFFAOYSA-N 1 1 168.265 2.003 10 0 AEAEMO CCC[N@H+]1CCC(=O)[C@]1(C)[C@H]1C[C@@H]1C 711972863 572217865 /nfs/dbraw/zinc/21/78/65/572217865.db2.gz CPWAPYPMUBYIQC-NHCYSSNCSA-N 1 1 195.306 2.086 10 0 AEAEMO CCC[N@H+]1CCC[C@@H]([NH2+]C2CC2)CC1 83421187 572218229 /nfs/dbraw/zinc/21/82/29/572218229.db2.gz AFSSLUFHNFIRFA-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CCC[N@H+]1CCC[C@H]([NH2+]C2CC2)CC1 83421185 572218606 /nfs/dbraw/zinc/21/86/06/572218606.db2.gz AFSSLUFHNFIRFA-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CCC[C@@H](C)[NH2+][C@H]1CCCN(C)CC1 83417754 572218760 /nfs/dbraw/zinc/21/87/60/572218760.db2.gz FYVVRLISHYNSSZ-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H](C)[NH2+][C@@H]1CCCN(C)CC1 83417752 572218980 /nfs/dbraw/zinc/21/89/80/572218980.db2.gz FYVVRLISHYNSSZ-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C)C[NH2+][C@H]1CCCN(C)CC1 83418846 572219095 /nfs/dbraw/zinc/21/90/95/572219095.db2.gz QLOYLKBNFBPNAT-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[N@H+]1CCC(=O)[C@]1(C)[C@@H]1C[C@H]1C 711972859 572219244 /nfs/dbraw/zinc/21/92/44/572219244.db2.gz CPWAPYPMUBYIQC-FOGDFJRCSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@H](C)[N@H+]1Cc2ccc(N)cc2C1 36683600 572219489 /nfs/dbraw/zinc/21/94/89/572219489.db2.gz BMEGNQDCKKRCMM-VIFPVBQESA-N 1 1 190.290 2.383 10 0 AEAEMO CCC(CC)Nc1ccc(N)[nH+]c1 20381620 572219501 /nfs/dbraw/zinc/21/95/01/572219501.db2.gz UITDUYNBELSUAR-UHFFFAOYSA-N 1 1 179.267 2.264 10 0 AEAEMO CCCCC[NH2+][C@@H]1CCCN(C)CC1 83417744 572219528 /nfs/dbraw/zinc/21/95/28/572219528.db2.gz OSWAZTPCWHJKGO-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CCC[N@H+]1CCC(=O)[C@]1(C)[C@H]1C[C@H]1C 711972867 572219538 /nfs/dbraw/zinc/21/95/38/572219538.db2.gz CPWAPYPMUBYIQC-SCVCMEIPSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@@H](C)C[NH2+][C@@H]1CCCN(C)CC1 83418836 572219567 /nfs/dbraw/zinc/21/95/67/572219567.db2.gz QLOYLKBNFBPNAT-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](C)[N@H+]1Cc2ccc(N)cc2C1 36683599 572219615 /nfs/dbraw/zinc/21/96/15/572219615.db2.gz BMEGNQDCKKRCMM-SECBINFHSA-N 1 1 190.290 2.383 10 0 AEAEMO CC[C@@H](C)C[NH2+][C@H]1CCCN(C)CC1 83418844 572219672 /nfs/dbraw/zinc/21/96/72/572219672.db2.gz QLOYLKBNFBPNAT-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[N@H+]1CCC(=O)[C@]1(C)[C@@H]1C[C@@H]1C 711972873 572219995 /nfs/dbraw/zinc/21/99/95/572219995.db2.gz CPWAPYPMUBYIQC-UMNHJUIQSA-N 1 1 195.306 2.086 10 0 AEAEMO CCCCC[C@]1(C)[C@H](N)CC[N@@H+]1CC 711973336 572220016 /nfs/dbraw/zinc/22/00/16/572220016.db2.gz BMCDYRCBJRVJOZ-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@]1(C)[C@H](N)CC[N@H+]1CC 711973336 572220018 /nfs/dbraw/zinc/22/00/18/572220018.db2.gz BMCDYRCBJRVJOZ-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CC(C)[C@H](C)N(C)c1ccc(N)c[nH+]1 36787072 572220324 /nfs/dbraw/zinc/22/03/24/572220324.db2.gz HXDVTOKPOARGGN-VIFPVBQESA-N 1 1 193.294 2.145 10 0 AEAEMO CC[C@@H]1CCC[C@H]([N@@H+](C)CCN)CC1 83436339 572220389 /nfs/dbraw/zinc/22/03/89/572220389.db2.gz NCTMRNUOLJATME-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H]1CCC[C@H](N(C)CC[NH3+])CC1 83436339 572220391 /nfs/dbraw/zinc/22/03/91/572220391.db2.gz NCTMRNUOLJATME-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H]1CCC[C@@H]([N@@H+](C)CCN)CC1 83436341 572220485 /nfs/dbraw/zinc/22/04/85/572220485.db2.gz NCTMRNUOLJATME-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H]1CCC[C@@H](N(C)CC[NH3+])CC1 83436341 572220488 /nfs/dbraw/zinc/22/04/88/572220488.db2.gz NCTMRNUOLJATME-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H]1CCC[C@@H]([N@@H+](C)CCN)CC1 83436342 572220581 /nfs/dbraw/zinc/22/05/81/572220581.db2.gz NCTMRNUOLJATME-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H]1CCC[C@@H](N(C)CC[NH3+])CC1 83436342 572220583 /nfs/dbraw/zinc/22/05/83/572220583.db2.gz NCTMRNUOLJATME-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[C@@H](C)c1nnc([C@@H](C)[NH3+])o1 300983827 572220851 /nfs/dbraw/zinc/22/08/51/572220851.db2.gz USUAXUSIFPBSMY-HTQZYQBOSA-N 1 1 197.282 2.383 10 0 AEAEMO CC(C)[C@@H](C)N(C)c1ccc(N)c[nH+]1 36787071 572220888 /nfs/dbraw/zinc/22/08/88/572220888.db2.gz HXDVTOKPOARGGN-SECBINFHSA-N 1 1 193.294 2.145 10 0 AEAEMO CC[C@H]1CCC[C@H]([N@@H+](C)CCN)CC1 83436340 572220898 /nfs/dbraw/zinc/22/08/98/572220898.db2.gz NCTMRNUOLJATME-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H]1CCC[C@H](N(C)CC[NH3+])CC1 83436340 572220901 /nfs/dbraw/zinc/22/09/01/572220901.db2.gz NCTMRNUOLJATME-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)[N@H+]1CCC(=O)[C@H]1[C@H]1CC1(C)C 711976173 572220952 /nfs/dbraw/zinc/22/09/52/572220952.db2.gz WLYXBCQVKMAOTH-MWLCHTKSSA-N 1 1 195.306 2.084 10 0 AEAEMO CCCC[C@H](C)c1nnc([C@H](C)[NH3+])o1 300983830 572221278 /nfs/dbraw/zinc/22/12/78/572221278.db2.gz USUAXUSIFPBSMY-YUMQZZPRSA-N 1 1 197.282 2.383 10 0 AEAEMO CC[N@@H+]1CCC(=O)[C@@H]1[C@@H]1CC=CCC1 711976428 572221322 /nfs/dbraw/zinc/22/13/22/572221322.db2.gz UFXIEPWEYRRXPD-PWSUYJOCSA-N 1 1 193.290 2.006 10 0 AEAEMO CC[N@H+]1CCC(=O)[C@@H]1[C@@H]1CC=CCC1 711976428 572221326 /nfs/dbraw/zinc/22/13/26/572221326.db2.gz UFXIEPWEYRRXPD-PWSUYJOCSA-N 1 1 193.290 2.006 10 0 AEAEMO CCCC[C@H](C)c1nnc([C@@H](C)[NH3+])o1 300983828 572221726 /nfs/dbraw/zinc/22/17/26/572221726.db2.gz USUAXUSIFPBSMY-JGVFFNPUSA-N 1 1 197.282 2.383 10 0 AEAEMO CC(C)[N@H+]1CCC(=O)[C@@H]1[C@@H]1CC1(C)C 711976174 572221707 /nfs/dbraw/zinc/22/17/07/572221707.db2.gz WLYXBCQVKMAOTH-ONGXEEELSA-N 1 1 195.306 2.084 10 0 AEAEMO CCC[C@]1(C)C(=O)CC[N@H+]1C(C)C 711975847 572221781 /nfs/dbraw/zinc/22/17/81/572221781.db2.gz RASYFFSPCKODAO-LLVKDONJSA-N 1 1 183.295 2.228 10 0 AEAEMO CCCC[C@@H](C)c1nnc([C@H](C)[NH3+])o1 300983829 572221911 /nfs/dbraw/zinc/22/19/11/572221911.db2.gz USUAXUSIFPBSMY-SFYZADRCSA-N 1 1 197.282 2.383 10 0 AEAEMO CC[N@@H+]1CCC(=O)[C@H]1[C@@H]1CC=CCC1 711976430 572222452 /nfs/dbraw/zinc/22/24/52/572222452.db2.gz UFXIEPWEYRRXPD-ZYHUDNBSSA-N 1 1 193.290 2.006 10 0 AEAEMO CC[N@H+]1CCC(=O)[C@H]1[C@@H]1CC=CCC1 711976430 572222455 /nfs/dbraw/zinc/22/24/55/572222455.db2.gz UFXIEPWEYRRXPD-ZYHUDNBSSA-N 1 1 193.290 2.006 10 0 AEAEMO C/C=C/C[N@H+]1C[C@@](C)(CC)NC[C@@H]1C 234112802 572222477 /nfs/dbraw/zinc/22/24/77/572222477.db2.gz CWVWZRPURBVEQJ-GAEWNOSXSA-N 1 1 196.338 2.025 10 0 AEAEMO C/C=C/C[N@@H+]1C[C@@](C)(CC)NC[C@@H]1C 234112802 572222479 /nfs/dbraw/zinc/22/24/79/572222479.db2.gz CWVWZRPURBVEQJ-GAEWNOSXSA-N 1 1 196.338 2.025 10 0 AEAEMO CC(C)[C@H](C)N(C)c1ccc(N)[nH+]c1 36787090 572222512 /nfs/dbraw/zinc/22/25/12/572222512.db2.gz DOQPILJMJZYZLH-VIFPVBQESA-N 1 1 193.294 2.145 10 0 AEAEMO Cc1ccc([C@H]([NH3+])C(F)F)cc1 20475293 572222520 /nfs/dbraw/zinc/22/25/20/572222520.db2.gz XQJZDFKEAZDEGB-QMMMGPOBSA-N 1 1 171.190 2.260 10 0 AEAEMO C/C=C/CN1CCC[NH2+][C@](C)(CC)C1 234112693 572222792 /nfs/dbraw/zinc/22/27/92/572222792.db2.gz ULOYCWWADTYYCL-FVOPLDGLSA-N 1 1 196.338 2.027 10 0 AEAEMO Cc1ccc([C@@H]([NH3+])C(F)F)cc1 20475292 572222882 /nfs/dbraw/zinc/22/28/82/572222882.db2.gz XQJZDFKEAZDEGB-MRVPVSSYSA-N 1 1 171.190 2.260 10 0 AEAEMO CC(C)[C@@H](C)N(C)c1ccc(N)[nH+]c1 36787089 572222968 /nfs/dbraw/zinc/22/29/68/572222968.db2.gz DOQPILJMJZYZLH-SECBINFHSA-N 1 1 193.294 2.145 10 0 AEAEMO CC[N@@H+]1CCC(=O)[C@@H]1[C@H]1CC=CCC1 711976425 572223091 /nfs/dbraw/zinc/22/30/91/572223091.db2.gz UFXIEPWEYRRXPD-JQWIXIFHSA-N 1 1 193.290 2.006 10 0 AEAEMO CC[N@H+]1CCC(=O)[C@@H]1[C@H]1CC=CCC1 711976425 572223092 /nfs/dbraw/zinc/22/30/92/572223092.db2.gz UFXIEPWEYRRXPD-JQWIXIFHSA-N 1 1 193.290 2.006 10 0 AEAEMO CCC[C@@]1(C)C(=O)CC[N@H+]1C(C)C 711975850 572223176 /nfs/dbraw/zinc/22/31/76/572223176.db2.gz RASYFFSPCKODAO-NSHDSACASA-N 1 1 183.295 2.228 10 0 AEAEMO CC[N@@H+]1CCC(=O)[C@H]1[C@H]1CC=CCC1 711976423 572223363 /nfs/dbraw/zinc/22/33/63/572223363.db2.gz UFXIEPWEYRRXPD-CMPLNLGQSA-N 1 1 193.290 2.006 10 0 AEAEMO CC[N@H+]1CCC(=O)[C@H]1[C@H]1CC=CCC1 711976423 572223366 /nfs/dbraw/zinc/22/33/66/572223366.db2.gz UFXIEPWEYRRXPD-CMPLNLGQSA-N 1 1 193.290 2.006 10 0 AEAEMO CCCC[C@H](C)[N@H+]1C[C@H](C)NC[C@H]1C 251347457 572224474 /nfs/dbraw/zinc/22/44/74/572224474.db2.gz NEUMGLVEKDYPLP-SDDRHHMPSA-N 1 1 198.354 2.247 10 0 AEAEMO CCCC[C@H](C)N1C[C@H](C)[NH2+]C[C@H]1C 251347457 572224477 /nfs/dbraw/zinc/22/44/77/572224477.db2.gz NEUMGLVEKDYPLP-SDDRHHMPSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(CC)[N@H+](C)[C@@H](C)[C@@H](C)NC 43895982 572224707 /nfs/dbraw/zinc/22/47/07/572224707.db2.gz NUBYPXJMFJARMZ-ZJUUUORDSA-N 1 1 186.343 2.103 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@H](C)[C@@H](C)NC 43895982 572224708 /nfs/dbraw/zinc/22/47/08/572224708.db2.gz NUBYPXJMFJARMZ-ZJUUUORDSA-N 1 1 186.343 2.103 10 0 AEAEMO CC(C)[C@@H](C)Nc1ccc(N)[nH+]c1 20523336 572225175 /nfs/dbraw/zinc/22/51/75/572225175.db2.gz CMMVMAMUOQIXAT-MRVPVSSYSA-N 1 1 179.267 2.120 10 0 AEAEMO CC(C)CC[N@H+](C1CC1)[C@@H](C)[C@@H](C)O 109669034 572226517 /nfs/dbraw/zinc/22/65/17/572226517.db2.gz PFJRNAIZFHMQQH-WDEREUQCSA-N 1 1 199.338 2.266 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)[C@H]1CC[C@H](O)C1 251348221 572225924 /nfs/dbraw/zinc/22/59/24/572225924.db2.gz AXUFOJVWSUBXFZ-SRVKXCTJSA-N 1 1 199.338 2.266 10 0 AEAEMO CC[C@]1(C)CNCC[N@@H+]1CC=C(C)C 234115403 572225962 /nfs/dbraw/zinc/22/59/62/572225962.db2.gz VBKAVGOKAYECSR-GFCCVEGCSA-N 1 1 196.338 2.027 10 0 AEAEMO CCC(C)(C)Nc1ccc(N)[nH+]c1 20584616 572225963 /nfs/dbraw/zinc/22/59/63/572225963.db2.gz KFGZRNWYOMWLKK-UHFFFAOYSA-N 1 1 179.267 2.264 10 0 AEAEMO CC[C@]1(C)CNCC[N@H+]1CC=C(C)C 234115403 572225965 /nfs/dbraw/zinc/22/59/65/572225965.db2.gz VBKAVGOKAYECSR-GFCCVEGCSA-N 1 1 196.338 2.027 10 0 AEAEMO CC[C@H]1CCC[N@@H+]1[C@@H]1CCC[C@@H]1NC 43904030 572226012 /nfs/dbraw/zinc/22/60/12/572226012.db2.gz SDTMFIQCQTYDFJ-SDDRHHMPSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H]1CCC[N@H+]1[C@@H]1CCC[C@@H]1NC 43904030 572226016 /nfs/dbraw/zinc/22/60/16/572226016.db2.gz SDTMFIQCQTYDFJ-SDDRHHMPSA-N 1 1 196.338 2.001 10 0 AEAEMO CCC(CC)C[N@H+]1CCSC1 687797665 572226497 /nfs/dbraw/zinc/22/64/97/572226497.db2.gz PFBJVCDJLPNQHU-UHFFFAOYSA-N 1 1 173.325 2.429 10 0 AEAEMO CCSCCC[N@@H+]1CCSC1 687797664 572226605 /nfs/dbraw/zinc/22/66/05/572226605.db2.gz ADATUWQQLGCHKN-UHFFFAOYSA-N 1 1 191.365 2.136 10 0 AEAEMO CCSCCC[N@H+]1CCSC1 687797664 572226607 /nfs/dbraw/zinc/22/66/07/572226607.db2.gz ADATUWQQLGCHKN-UHFFFAOYSA-N 1 1 191.365 2.136 10 0 AEAEMO CC(C)CC[N@H+](C1CC1)[C@H](C)[C@@H](C)O 109669039 572226780 /nfs/dbraw/zinc/22/67/80/572226780.db2.gz PFJRNAIZFHMQQH-GHMZBOCLSA-N 1 1 199.338 2.266 10 0 AEAEMO CC[C@H](C)[C@H]1[C@H](NC)CC[N@@H+]1C(C)C 711986806 572226857 /nfs/dbraw/zinc/22/68/57/572226857.db2.gz BYMNOZUOWYOUGV-TUAOUCFPSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H](C)[C@H]1[C@H](NC)CC[N@H+]1C(C)C 711986806 572226860 /nfs/dbraw/zinc/22/68/60/572226860.db2.gz BYMNOZUOWYOUGV-TUAOUCFPSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@@H](N)[C@]1(C)C(C)C 711982472 572226926 /nfs/dbraw/zinc/22/69/26/572226926.db2.gz IRKDAJAQAURAMU-TUAOUCFPSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@H](N)[C@]1(C)C(C)C 711982471 572227011 /nfs/dbraw/zinc/22/70/11/572227011.db2.gz IRKDAJAQAURAMU-SRVKXCTJSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)[C@H](C)Nc1ccc(N)[nH+]c1 20523337 572227176 /nfs/dbraw/zinc/22/71/76/572227176.db2.gz CMMVMAMUOQIXAT-QMMMGPOBSA-N 1 1 179.267 2.120 10 0 AEAEMO CC[C@H](C)[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C 36907478 572227443 /nfs/dbraw/zinc/22/74/43/572227443.db2.gz CBWDDOWKBMBAGK-FIQHERPVSA-N 1 1 198.354 2.103 10 0 AEAEMO C[C@H]1CCC[N@@H+](C[C@H](N)C(C)(C)C)C1 36875298 572227616 /nfs/dbraw/zinc/22/76/16/572227616.db2.gz OTXAXGQDBQKJMX-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1CCC[N@@H+](C[C@H](N)C(C)(C)C)C1 36875297 572227835 /nfs/dbraw/zinc/22/78/35/572227835.db2.gz OTXAXGQDBQKJMX-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[C@]1(O)CCC[N@@H+](CC)CC1 83519726 572227905 /nfs/dbraw/zinc/22/79/05/572227905.db2.gz ZRBIOXFFIGLENH-LBPRGKRZSA-N 1 1 199.338 2.414 10 0 AEAEMO CCCCC[C@]1(O)CCC[N@@H+](C)CC1 83519585 572228023 /nfs/dbraw/zinc/22/80/23/572228023.db2.gz PEJARRKQQJXLQE-LBPRGKRZSA-N 1 1 199.338 2.414 10 0 AEAEMO CCCC[C@@]1(O)CCC[N@@H+](CC)CC1 83519732 572228209 /nfs/dbraw/zinc/22/82/09/572228209.db2.gz ZRBIOXFFIGLENH-GFCCVEGCSA-N 1 1 199.338 2.414 10 0 AEAEMO CC[NH2+][C@@H](CSC(C)C)C(F)F 687797694 572228256 /nfs/dbraw/zinc/22/82/56/572228256.db2.gz KTWRUDRIMPXWTG-ZETCQYMHSA-N 1 1 197.294 2.371 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1C[C@H](N)C(C)(C)C 36875163 572228342 /nfs/dbraw/zinc/22/83/42/572228342.db2.gz LZURIEYMLUIEQF-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CCCSC1 687797674 572228792 /nfs/dbraw/zinc/22/87/92/572228792.db2.gz GQUSWKANHDSTPW-SECBINFHSA-N 1 1 173.325 2.429 10 0 AEAEMO C[C@H]1CCCC[N@H+]1C[C@H](N)C(C)(C)C 36875164 572229045 /nfs/dbraw/zinc/22/90/45/572229045.db2.gz LZURIEYMLUIEQF-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[NH2+][C@H](CSC(C)C)C(F)F 687797693 572229144 /nfs/dbraw/zinc/22/91/44/572229144.db2.gz KTWRUDRIMPXWTG-SSDOTTSWSA-N 1 1 197.294 2.371 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCCSC1 687797675 572229168 /nfs/dbraw/zinc/22/91/68/572229168.db2.gz GQUSWKANHDSTPW-VIFPVBQESA-N 1 1 173.325 2.429 10 0 AEAEMO CCC(CC)[N@@H+](C)C[C@@H]1CCOC1 687713447 572229409 /nfs/dbraw/zinc/22/94/09/572229409.db2.gz XXJMRAWAQXFUBI-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO CCC(CC)[N@@H+](C)C[C@H]1CCOC1 687713448 572229606 /nfs/dbraw/zinc/22/96/06/572229606.db2.gz XXJMRAWAQXFUBI-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO CCCCC[C@@]1(O)CCC[N@@H+](C)CC1 83519590 572229657 /nfs/dbraw/zinc/22/96/57/572229657.db2.gz PEJARRKQQJXLQE-GFCCVEGCSA-N 1 1 199.338 2.414 10 0 AEAEMO CC[C@H](C)[NH2+]C[C@H]1CCCCCCN1 300992760 572230549 /nfs/dbraw/zinc/23/05/49/572230549.db2.gz JNMHZUMPRWMEME-NWDGAFQWSA-N 1 1 198.354 2.297 10 0 AEAEMO CC[C@H](C)NC[C@H]1CCCCCC[NH2+]1 300992760 572230554 /nfs/dbraw/zinc/23/05/54/572230554.db2.gz JNMHZUMPRWMEME-NWDGAFQWSA-N 1 1 198.354 2.297 10 0 AEAEMO CC[C@@H](C)[NH2+]C[C@@H]1CCCCCCN1 300992757 572231301 /nfs/dbraw/zinc/23/13/01/572231301.db2.gz JNMHZUMPRWMEME-NEPJUHHUSA-N 1 1 198.354 2.297 10 0 AEAEMO CC[C@@H](C)NC[C@@H]1CCCCCC[NH2+]1 300992757 572231306 /nfs/dbraw/zinc/23/13/06/572231306.db2.gz JNMHZUMPRWMEME-NEPJUHHUSA-N 1 1 198.354 2.297 10 0 AEAEMO COC[C@@H](C)[N@@H+](C(C)C)C1CCC1 687713586 572231455 /nfs/dbraw/zinc/23/14/55/572231455.db2.gz AMXSDTZQWIDFGX-SNVBAGLBSA-N 1 1 185.311 2.284 10 0 AEAEMO CC(C)[N@@H+](C1CCC1)[C@@H]1CCOC1 687713671 572231605 /nfs/dbraw/zinc/23/16/05/572231605.db2.gz FUGPRHATAGZTRG-LLVKDONJSA-N 1 1 183.295 2.038 10 0 AEAEMO CC(C)[N@@H+](C1CCC1)[C@H]1CCOC1 687713672 572231698 /nfs/dbraw/zinc/23/16/98/572231698.db2.gz FUGPRHATAGZTRG-NSHDSACASA-N 1 1 183.295 2.038 10 0 AEAEMO Cc1cc(N)ccc1-n1cc[nH+]c1C 36950223 572231776 /nfs/dbraw/zinc/23/17/76/572231776.db2.gz ASVIVBDKPBSKOH-UHFFFAOYSA-N 1 1 187.246 2.071 10 0 AEAEMO CC[C@@H](C)[NH2+]C[C@H]1CCCCCCN1 300992764 572232267 /nfs/dbraw/zinc/23/22/67/572232267.db2.gz JNMHZUMPRWMEME-VXGBXAGGSA-N 1 1 198.354 2.297 10 0 AEAEMO CC[C@@H](C)NC[C@H]1CCCCCC[NH2+]1 300992764 572232270 /nfs/dbraw/zinc/23/22/70/572232270.db2.gz JNMHZUMPRWMEME-VXGBXAGGSA-N 1 1 198.354 2.297 10 0 AEAEMO COC[C@H](C)[N@@H+](C(C)C)C1CCC1 687713585 572232606 /nfs/dbraw/zinc/23/26/06/572232606.db2.gz AMXSDTZQWIDFGX-JTQLQIEISA-N 1 1 185.311 2.284 10 0 AEAEMO Cc1[nH+]ccn1CCC[C@H]1CCCO1 83531410 572233619 /nfs/dbraw/zinc/23/36/19/572233619.db2.gz ANFUUMPFQKNWHI-NSHDSACASA-N 1 1 194.278 2.151 10 0 AEAEMO C/C=C/C[N@@H+]1C[C@@H](C)NC[C@@]1(C)CC 234123874 572233766 /nfs/dbraw/zinc/23/37/66/572233766.db2.gz CESKXXRADQNWMI-ONYUAGEFSA-N 1 1 196.338 2.025 10 0 AEAEMO C/C=C/C[N@H+]1C[C@@H](C)NC[C@@]1(C)CC 234123874 572233764 /nfs/dbraw/zinc/23/37/64/572233764.db2.gz CESKXXRADQNWMI-ONYUAGEFSA-N 1 1 196.338 2.025 10 0 AEAEMO Cc1[nH+]ccn1CCC[C@@H]1CCCO1 83531409 572233927 /nfs/dbraw/zinc/23/39/27/572233927.db2.gz ANFUUMPFQKNWHI-LLVKDONJSA-N 1 1 194.278 2.151 10 0 AEAEMO C[N@@H+](C1CC1)[C@@H]1CCCCCC[C@@H]1[NH3+] 37081085 572235876 /nfs/dbraw/zinc/23/58/76/572235876.db2.gz JAKDYZYUGORZKZ-NWDGAFQWSA-N 1 1 196.338 2.131 10 0 AEAEMO CN(C1CC1)[C@@H]1CCCCCC[C@@H]1[NH3+] 37081085 572235878 /nfs/dbraw/zinc/23/58/78/572235878.db2.gz JAKDYZYUGORZKZ-NWDGAFQWSA-N 1 1 196.338 2.131 10 0 AEAEMO C[N@@H+](C1CC1)[C@H]1CCCCCC[C@@H]1[NH3+] 37081086 572234640 /nfs/dbraw/zinc/23/46/40/572234640.db2.gz JAKDYZYUGORZKZ-RYUDHWBXSA-N 1 1 196.338 2.131 10 0 AEAEMO CN(C1CC1)[C@H]1CCCCCC[C@@H]1[NH3+] 37081086 572234643 /nfs/dbraw/zinc/23/46/43/572234643.db2.gz JAKDYZYUGORZKZ-RYUDHWBXSA-N 1 1 196.338 2.131 10 0 AEAEMO C[N@H+](C1CC1)[C@H]1CCCCCC[C@@H]1N 37081086 572234646 /nfs/dbraw/zinc/23/46/46/572234646.db2.gz JAKDYZYUGORZKZ-RYUDHWBXSA-N 1 1 196.338 2.131 10 0 AEAEMO C[N@@H+](C1CC1)[C@H]1CCCCCC[C@@H]1N 37081086 572234649 /nfs/dbraw/zinc/23/46/49/572234649.db2.gz JAKDYZYUGORZKZ-RYUDHWBXSA-N 1 1 196.338 2.131 10 0 AEAEMO C[N@H+](C1CC1)[C@@H]1CCCCCC[C@@H]1N 37081085 572235880 /nfs/dbraw/zinc/23/58/80/572235880.db2.gz JAKDYZYUGORZKZ-NWDGAFQWSA-N 1 1 196.338 2.131 10 0 AEAEMO C[N@@H+](C1CC1)[C@@H]1CCCCCC[C@@H]1N 37081085 572235881 /nfs/dbraw/zinc/23/58/81/572235881.db2.gz JAKDYZYUGORZKZ-NWDGAFQWSA-N 1 1 196.338 2.131 10 0 AEAEMO Cc1cc(C[N@H+](C)C2CC2)ccc1N 37081274 572234769 /nfs/dbraw/zinc/23/47/69/572234769.db2.gz QQKVKPLLBKSLEQ-UHFFFAOYSA-N 1 1 190.290 2.171 10 0 AEAEMO CCCC[N@H+](C1CC1)[C@H](C)[C@H](N)CC 42490236 572235485 /nfs/dbraw/zinc/23/54/85/572235485.db2.gz LNYGGYUNPJDVOF-ZYHUDNBSSA-N 1 1 198.354 2.377 10 0 AEAEMO CCCCN(C1CC1)[C@H](C)[C@H]([NH3+])CC 42490236 572235486 /nfs/dbraw/zinc/23/54/86/572235486.db2.gz LNYGGYUNPJDVOF-ZYHUDNBSSA-N 1 1 198.354 2.377 10 0 AEAEMO CCCC[N@@H+](C1CC1)[C@H]1CCC[C@@H]1O 42490937 572235546 /nfs/dbraw/zinc/23/55/46/572235546.db2.gz RSSYWAQAOXAFJQ-RYUDHWBXSA-N 1 1 197.322 2.164 10 0 AEAEMO CC(=O)CC[N@H+](C)[C@@H]1CCC[C@H](C)C1 42493823 572235620 /nfs/dbraw/zinc/23/56/20/572235620.db2.gz DYLHGWARCQIZQO-CMPLNLGQSA-N 1 1 197.322 2.476 10 0 AEAEMO CCCC[N@H+](C1CC1)[C@@H](C)[C@H](N)CC 42490235 572235818 /nfs/dbraw/zinc/23/58/18/572235818.db2.gz LNYGGYUNPJDVOF-CMPLNLGQSA-N 1 1 198.354 2.377 10 0 AEAEMO CCCCN(C1CC1)[C@@H](C)[C@H]([NH3+])CC 42490235 572235820 /nfs/dbraw/zinc/23/58/20/572235820.db2.gz LNYGGYUNPJDVOF-CMPLNLGQSA-N 1 1 198.354 2.377 10 0 AEAEMO CCCC[N@@H+](C1CC1)[C@@H]1CCC[C@@H]1O 42490936 572235990 /nfs/dbraw/zinc/23/59/90/572235990.db2.gz RSSYWAQAOXAFJQ-NEPJUHHUSA-N 1 1 197.322 2.164 10 0 AEAEMO C[NH2+][C@H](CSCC(C)C)C(F)F 687714238 572236550 /nfs/dbraw/zinc/23/65/50/572236550.db2.gz ZBTCLEAUGQDXGV-SSDOTTSWSA-N 1 1 197.294 2.229 10 0 AEAEMO CC(=O)CC[N@H+](C)[C@H]1CCC[C@H](C)C1 42493821 572236299 /nfs/dbraw/zinc/23/62/99/572236299.db2.gz DYLHGWARCQIZQO-JQWIXIFHSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@H](CN)[N@@H+](C)[C@@H]1CCC[C@H](C)C1 42492404 572236332 /nfs/dbraw/zinc/23/63/32/572236332.db2.gz GGSRGWYNYNQWQV-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCC[C@H](C)N1CCC[C@H]([NH3+])C1 70586273 572236712 /nfs/dbraw/zinc/23/67/12/572236712.db2.gz GJECVHCMYNSINP-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@H](C)[N@@H+]1CCC[C@H](N)C1 70586273 572236714 /nfs/dbraw/zinc/23/67/14/572236714.db2.gz GJECVHCMYNSINP-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@H](C)[N@H+]1CCC[C@H](N)C1 70586273 572236715 /nfs/dbraw/zinc/23/67/15/572236715.db2.gz GJECVHCMYNSINP-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC(CC)[N@@H+]1CC[C@@H](NC2CC2)C1 70584402 572237508 /nfs/dbraw/zinc/23/75/08/572237508.db2.gz NPHYPCITUFEUEM-LLVKDONJSA-N 1 1 196.338 2.001 10 0 AEAEMO CCC(CC)[N@H+]1CC[C@@H](NC2CC2)C1 70584402 572237510 /nfs/dbraw/zinc/23/75/10/572237510.db2.gz NPHYPCITUFEUEM-LLVKDONJSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[NH2+][C@H](CC)[C@H](C)N1CC[C@H](C)C1 43908660 572237201 /nfs/dbraw/zinc/23/72/01/572237201.db2.gz UQOIVKJMMFEZOE-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H](CC)[N@@H+]1CCC[C@H](NC)C1 70585244 572237290 /nfs/dbraw/zinc/23/72/90/572237290.db2.gz WVQKRLMVQXZZDM-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H](CC)[N@H+]1CCC[C@H](NC)C1 70585244 572237291 /nfs/dbraw/zinc/23/72/91/572237291.db2.gz WVQKRLMVQXZZDM-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(C)(C)[N@@H+]1CC[C@H](NC2CC2)C1 70584425 572237458 /nfs/dbraw/zinc/23/74/58/572237458.db2.gz IVAYALSCNYNKFF-NSHDSACASA-N 1 1 196.338 2.001 10 0 AEAEMO CCC(C)(C)[N@H+]1CC[C@H](NC2CC2)C1 70584425 572237459 /nfs/dbraw/zinc/23/74/59/572237459.db2.gz IVAYALSCNYNKFF-NSHDSACASA-N 1 1 196.338 2.001 10 0 AEAEMO C[NH2+][C@@H](CSCC(C)C)C(F)F 687714239 572237475 /nfs/dbraw/zinc/23/74/75/572237475.db2.gz ZBTCLEAUGQDXGV-ZETCQYMHSA-N 1 1 197.294 2.229 10 0 AEAEMO CCC[C@@H]1[C@@H](NC)CC[N@@H+]1[C@@H](C)CC 712013863 572237624 /nfs/dbraw/zinc/23/76/24/572237624.db2.gz ABOBIPXHLNIXHB-SDDRHHMPSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@@H]1[C@@H](NC)CC[N@H+]1[C@@H](C)CC 712013863 572237628 /nfs/dbraw/zinc/23/76/28/572237628.db2.gz ABOBIPXHLNIXHB-SDDRHHMPSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@H](CC)[N@H+]1CCC[C@H](NC)C1 70585245 572237811 /nfs/dbraw/zinc/23/78/11/572237811.db2.gz WVQKRLMVQXZZDM-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H](CC)[N@@H+]1CCC[C@H](NC)C1 70585245 572237808 /nfs/dbraw/zinc/23/78/08/572237808.db2.gz WVQKRLMVQXZZDM-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1C[C@H](N)C(C)(C)C 37913662 572238058 /nfs/dbraw/zinc/23/80/58/572238058.db2.gz DVKSDUQPOABKJF-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)[C@H](CN)[N@H+]1CCC[C@H]1CC 37913281 572238064 /nfs/dbraw/zinc/23/80/64/572238064.db2.gz CAOIFBKBHRUQKE-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H]1[C@H](NC)CC[N@@H+]1[C@@H](C)CC 712013861 572238151 /nfs/dbraw/zinc/23/81/51/572238151.db2.gz ABOBIPXHLNIXHB-QJPTWQEYSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@@H]1[C@H](NC)CC[N@H+]1[C@@H](C)CC 712013861 572238154 /nfs/dbraw/zinc/23/81/54/572238154.db2.gz ABOBIPXHLNIXHB-QJPTWQEYSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@@H](C)[N@@H+]1CC[C@H](NC2CC2)C1 70584854 572238211 /nfs/dbraw/zinc/23/82/11/572238211.db2.gz VVHKROXNDOKWAX-PWSUYJOCSA-N 1 1 196.338 2.001 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CC[C@H](NC2CC2)C1 70584854 572238215 /nfs/dbraw/zinc/23/82/15/572238215.db2.gz VVHKROXNDOKWAX-PWSUYJOCSA-N 1 1 196.338 2.001 10 0 AEAEMO CCC[C@H](C)[N@@H+]1CC[C@H](NC2CC2)C1 70584855 572238298 /nfs/dbraw/zinc/23/82/98/572238298.db2.gz VVHKROXNDOKWAX-JQWIXIFHSA-N 1 1 196.338 2.001 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@H](NC2CC2)C1 70584855 572238300 /nfs/dbraw/zinc/23/83/00/572238300.db2.gz VVHKROXNDOKWAX-JQWIXIFHSA-N 1 1 196.338 2.001 10 0 AEAEMO CCC[C@@H]1[C@H](NC)CC[N@@H+]1[C@H](C)CC 712013833 572238623 /nfs/dbraw/zinc/23/86/23/572238623.db2.gz ABOBIPXHLNIXHB-IJLUTSLNSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@@H]1[C@H](NC)CC[N@H+]1[C@H](C)CC 712013833 572238626 /nfs/dbraw/zinc/23/86/26/572238626.db2.gz ABOBIPXHLNIXHB-IJLUTSLNSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(CC)[C@H](C)[N@H+]1CCC[C@H](N)C1 70585452 572238701 /nfs/dbraw/zinc/23/87/01/572238701.db2.gz BVHURQKVFUIUAB-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)[C@H](C)N1CCC[C@H]([NH3+])C1 70585452 572238703 /nfs/dbraw/zinc/23/87/03/572238703.db2.gz BVHURQKVFUIUAB-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)[N@@H+]1CC[C@H](NC2CC2)C1 70584401 572238757 /nfs/dbraw/zinc/23/87/57/572238757.db2.gz NPHYPCITUFEUEM-NSHDSACASA-N 1 1 196.338 2.001 10 0 AEAEMO CCC(CC)[N@H+]1CC[C@H](NC2CC2)C1 70584401 572238758 /nfs/dbraw/zinc/23/87/58/572238758.db2.gz NPHYPCITUFEUEM-NSHDSACASA-N 1 1 196.338 2.001 10 0 AEAEMO CC[NH2+][C@H](CC)[C@@H](C)N1CC[C@H](C)C1 43908653 572239081 /nfs/dbraw/zinc/23/90/81/572239081.db2.gz UQOIVKJMMFEZOE-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CCC[N@H+]1C[C@H](N)C(C)(C)C 37913663 572239386 /nfs/dbraw/zinc/23/93/86/572239386.db2.gz DVKSDUQPOABKJF-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@H](N)C[N@@H+]1CCC[C@@H]1CC 37914211 572239486 /nfs/dbraw/zinc/23/94/86/572239486.db2.gz HRJLMOJTTCAZBA-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@H](N)C[N@H+]1CCC[C@@H]1CC 37914211 572239487 /nfs/dbraw/zinc/23/94/87/572239487.db2.gz HRJLMOJTTCAZBA-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@@H]1[C@@H](NC)CC[N@@H+]1[C@H](C)CC 712013732 572239547 /nfs/dbraw/zinc/23/95/47/572239547.db2.gz ABOBIPXHLNIXHB-GRYCIOLGSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@@H]1[C@@H](NC)CC[N@H+]1[C@H](C)CC 712013732 572239552 /nfs/dbraw/zinc/23/95/52/572239552.db2.gz ABOBIPXHLNIXHB-GRYCIOLGSA-N 1 1 198.354 2.247 10 0 AEAEMO Cc1ccc(NCC(F)(F)F)[nH+]c1 21062375 572239911 /nfs/dbraw/zinc/23/99/11/572239911.db2.gz HERSGULJVURREP-UHFFFAOYSA-N 1 1 190.168 2.364 10 0 AEAEMO CCC[C@H](O)[C@@H](CC)[N@H+]1CC[C@H](C)C1 44162603 572239977 /nfs/dbraw/zinc/23/99/77/572239977.db2.gz OJAAMLGCISUTDH-TUAOUCFPSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)C[C@H](C)CN[C@]1(C)CC[NH2+]C1 300998787 572240291 /nfs/dbraw/zinc/24/02/91/572240291.db2.gz WUGCFDHGLURKGA-NWDGAFQWSA-N 1 1 198.354 2.010 10 0 AEAEMO CCN[C@H](C)C[N@H+](CC)[C@H](C)CC 43888805 572240355 /nfs/dbraw/zinc/24/03/55/572240355.db2.gz AUIYNAIVMQRJBD-GHMZBOCLSA-N 1 1 186.343 2.105 10 0 AEAEMO CCN[C@H](C)C[N@@H+](CC)[C@H](C)CC 43888805 572240357 /nfs/dbraw/zinc/24/03/57/572240357.db2.gz AUIYNAIVMQRJBD-GHMZBOCLSA-N 1 1 186.343 2.105 10 0 AEAEMO CCC[N@@H+]1CC[C@@H](NC)C1(CC)CC 712015855 572240363 /nfs/dbraw/zinc/24/03/63/572240363.db2.gz FZAUCDVVFQRSJR-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@H+]1CC[C@@H](NC)C1(CC)CC 712015855 572240365 /nfs/dbraw/zinc/24/03/65/572240365.db2.gz FZAUCDVVFQRSJR-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)C[C@@H](C)CN[C@]1(C)CC[NH2+]C1 300998793 572240394 /nfs/dbraw/zinc/24/03/94/572240394.db2.gz WUGCFDHGLURKGA-VXGBXAGGSA-N 1 1 198.354 2.010 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCC(=O)C12CC(C)C2 712015878 572240468 /nfs/dbraw/zinc/24/04/68/572240468.db2.gz ADCNXDXLYHKNSF-SQLBVSGCSA-N 1 1 195.306 2.228 10 0 AEAEMO CCCCC[N@@H+](C)[C@H](C)[C@H](O)CC 44131383 572240481 /nfs/dbraw/zinc/24/04/81/572240481.db2.gz ITNNNKQJAFOSOR-GHMZBOCLSA-N 1 1 187.327 2.268 10 0 AEAEMO C[NH2+][C@@H](CN1CCC[C@H]1C)C(C)(C)C 43902424 572240531 /nfs/dbraw/zinc/24/05/31/572240531.db2.gz LTPGHUCWIAGKKC-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC1(CCC)[C@@H]([NH2+]C)CC[N@H+]1C 712022451 572240594 /nfs/dbraw/zinc/24/05/94/572240594.db2.gz UDAWHEPKGIRBMA-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC1(CCC)[C@@H]([NH2+]C)CCN1C 712022451 572240597 /nfs/dbraw/zinc/24/05/97/572240597.db2.gz UDAWHEPKGIRBMA-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@@H+](C)[C@@H]1C[C@H](CC)CC[C@@H]1O 44127540 572240611 /nfs/dbraw/zinc/24/06/11/572240611.db2.gz DALBOSDZUYPOAC-UTUOFQBUSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCC[N@@H+](CC)[C@H](C)[C@H](O)CC 44124270 572240688 /nfs/dbraw/zinc/24/06/88/572240688.db2.gz QWKFCBQVQGOBBR-GHMZBOCLSA-N 1 1 187.327 2.268 10 0 AEAEMO CC[NH2+][C@H](C)[C@H](C)N1CCC[C@H]1CC 43904732 572240850 /nfs/dbraw/zinc/24/08/50/572240850.db2.gz AYMQFIBHMKJTNW-GRYCIOLGSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[N@@H+](CC1CC1)[C@H](C)[C@H](O)CC 44169081 572240866 /nfs/dbraw/zinc/24/08/66/572240866.db2.gz FWOFIACRYNXHJP-ZYHUDNBSSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@@H]1CC[C@@H](O)[C@H]([N@@H+](C)CC)C1 44127746 572241094 /nfs/dbraw/zinc/24/10/94/572241094.db2.gz WJAVVBTYQKTGCK-IJLUTSLNSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[N@H+](C1CC1)[C@H](C)[C@H](O)CC 44130859 572240911 /nfs/dbraw/zinc/24/09/11/572240911.db2.gz PCVPBBSLVFVAMZ-MWLCHTKSSA-N 1 1 185.311 2.020 10 0 AEAEMO CCCCC[N@@H+](C)[C@@H](C)[C@H](O)CC 44131380 572240946 /nfs/dbraw/zinc/24/09/46/572240946.db2.gz ITNNNKQJAFOSOR-WDEREUQCSA-N 1 1 187.327 2.268 10 0 AEAEMO CCCC[N@H+](C1CC1)[C@H](C)[C@H](O)CC 44168073 572241085 /nfs/dbraw/zinc/24/10/85/572241085.db2.gz NBYRHULZFAIPNZ-ZYHUDNBSSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[N@@H+](CC)[C@@H]1C[C@H](C)CC[C@@H]1O 44130315 572241101 /nfs/dbraw/zinc/24/11/01/572241101.db2.gz RRQWLAAGSIXGJC-UTUOFQBUSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@@H]1CC[C@H](O)[C@H]([N@@H+](C)CC)C1 44127742 572241209 /nfs/dbraw/zinc/24/12/09/572241209.db2.gz WJAVVBTYQKTGCK-UTUOFQBUSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@H](C)[C@H](O)CC 44159485 572241253 /nfs/dbraw/zinc/24/12/53/572241253.db2.gz ZRVZFDOPAXRKJF-GARJFASQSA-N 1 1 187.327 2.266 10 0 AEAEMO CCCC1(CCC)[C@H]([NH2+]C)CC[N@H+]1C 712022449 572241275 /nfs/dbraw/zinc/24/12/75/572241275.db2.gz UDAWHEPKGIRBMA-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC1(CCC)[C@H]([NH2+]C)CCN1C 712022449 572241276 /nfs/dbraw/zinc/24/12/76/572241276.db2.gz UDAWHEPKGIRBMA-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1O 44122677 572241307 /nfs/dbraw/zinc/24/13/07/572241307.db2.gz FQFDYFSUQZTFRH-UTUOFQBUSA-N 1 1 199.338 2.268 10 0 AEAEMO CN[C@H](C)C[N@H+](C)[C@@H]1CCC[C@H](C)C1 43968364 572241379 /nfs/dbraw/zinc/24/13/79/572241379.db2.gz YSNHGWMBCUJHHH-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CN[C@H](C)C[N@@H+](C)[C@@H]1CCC[C@H](C)C1 43968364 572241380 /nfs/dbraw/zinc/24/13/80/572241380.db2.gz YSNHGWMBCUJHHH-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[N@@H+](CC)[C@@H](C)[C@H](O)CC 44124265 572241413 /nfs/dbraw/zinc/24/14/13/572241413.db2.gz QWKFCBQVQGOBBR-WDEREUQCSA-N 1 1 187.327 2.268 10 0 AEAEMO CCCC[N@H+](C1CC1)[C@@H](C)[C@H](O)CC 44168069 572241449 /nfs/dbraw/zinc/24/14/49/572241449.db2.gz NBYRHULZFAIPNZ-CMPLNLGQSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@@H](C)[C@H](O)CC 44131158 572241453 /nfs/dbraw/zinc/24/14/53/572241453.db2.gz XATZXRQDZHNCIZ-GARJFASQSA-N 1 1 187.327 2.124 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@H](C)[C@H](O)CC 44127290 572241485 /nfs/dbraw/zinc/24/14/85/572241485.db2.gz GPFMMYQVJLJPLB-GHMZBOCLSA-N 1 1 187.327 2.266 10 0 AEAEMO CN[C@H](C)C[N@H+](C)[C@H]1CCC[C@H](C)C1 43968362 572241554 /nfs/dbraw/zinc/24/15/54/572241554.db2.gz YSNHGWMBCUJHHH-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CN[C@H](C)C[N@@H+](C)[C@H]1CCC[C@H](C)C1 43968362 572241555 /nfs/dbraw/zinc/24/15/55/572241555.db2.gz YSNHGWMBCUJHHH-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@@H+]1CC[C@H](NC)C1(CC)CC 712015860 572241670 /nfs/dbraw/zinc/24/16/70/572241670.db2.gz FZAUCDVVFQRSJR-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@H+]1CC[C@H](NC)C1(CC)CC 712015860 572241671 /nfs/dbraw/zinc/24/16/71/572241671.db2.gz FZAUCDVVFQRSJR-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@@H](C)[C@H](O)CC 44127286 572241681 /nfs/dbraw/zinc/24/16/81/572241681.db2.gz GPFMMYQVJLJPLB-WDEREUQCSA-N 1 1 187.327 2.266 10 0 AEAEMO CCC[N@H+](C1CC1)[C@@H](C)[C@H](O)CC 44130856 572241819 /nfs/dbraw/zinc/24/18/19/572241819.db2.gz PCVPBBSLVFVAMZ-GXSJLCMTSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC(=O)C12CC(C)C2 712015888 572241939 /nfs/dbraw/zinc/24/19/39/572241939.db2.gz ADCNXDXLYHKNSF-YZRBJQDESA-N 1 1 195.306 2.228 10 0 AEAEMO CCC[N@@H+](CC1CC1)[C@@H](C)[C@H](O)CC 44169077 572242025 /nfs/dbraw/zinc/24/20/25/572242025.db2.gz FWOFIACRYNXHJP-CMPLNLGQSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H](O)[C@H](CC)[N@H+]1CC[C@H](C)C1 44162609 572242047 /nfs/dbraw/zinc/24/20/47/572242047.db2.gz OJAAMLGCISUTDH-SRVKXCTJSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCCC[C@H](CN)[N@@H+](C)CC1CC1 37925284 572242358 /nfs/dbraw/zinc/24/23/58/572242358.db2.gz RASLWKWAMSGTIB-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCC[C@H](C[NH3+])N(C)CC1CC1 37925284 572242360 /nfs/dbraw/zinc/24/23/60/572242360.db2.gz RASLWKWAMSGTIB-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)C[C@]1(C)[C@@H](N)CC[N@H+]1C(C)C 712027156 572242866 /nfs/dbraw/zinc/24/28/66/572242866.db2.gz DEONLWNKWBVKMN-NWDGAFQWSA-N 1 1 198.354 2.233 10 0 AEAEMO C[C@@H]([NH2+]CC(F)(F)C(F)F)C1CC1 235212489 572242945 /nfs/dbraw/zinc/24/29/45/572242945.db2.gz AAFFYIZSFMHWBZ-RXMQYKEDSA-N 1 1 199.191 2.275 10 0 AEAEMO CC(C)C[C@@]1(C)[C@H](N)CC[N@H+]1C(C)C 712027151 572242925 /nfs/dbraw/zinc/24/29/25/572242925.db2.gz DEONLWNKWBVKMN-NEPJUHHUSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[C@]1(C)[C@H](N)CC[N@H+]1C(C)C 712027161 572243031 /nfs/dbraw/zinc/24/30/31/572243031.db2.gz DEONLWNKWBVKMN-VXGBXAGGSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[C@@]1(C)[C@@H](N)CC[N@H+]1C(C)C 712027159 572243064 /nfs/dbraw/zinc/24/30/64/572243064.db2.gz DEONLWNKWBVKMN-RYUDHWBXSA-N 1 1 198.354 2.233 10 0 AEAEMO CCC[C@@H](N)[C@H](CC)[N@@H+](C)CC1CC1 37925379 572243702 /nfs/dbraw/zinc/24/37/02/572243702.db2.gz MIVBTKQQEIBNQR-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H]([NH3+])[C@H](CC)N(C)CC1CC1 37925379 572243704 /nfs/dbraw/zinc/24/37/04/572243704.db2.gz MIVBTKQQEIBNQR-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCC[C@@H](CN)[N@@H+](C)CC1CC1 37925283 572244180 /nfs/dbraw/zinc/24/41/80/572244180.db2.gz RASLWKWAMSGTIB-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCC[C@@H](C[NH3+])N(C)CC1CC1 37925283 572244182 /nfs/dbraw/zinc/24/41/82/572244182.db2.gz RASLWKWAMSGTIB-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@@H](O)CCCC[N@H+]1CCCC[C@H]1C 45619019 572244568 /nfs/dbraw/zinc/24/45/68/572244568.db2.gz SMHKNXNRWARPFB-VXGBXAGGSA-N 1 1 199.338 2.412 10 0 AEAEMO C1CC[C@@H]2CCCC[N@H+]2CC1 21378584 572245374 /nfs/dbraw/zinc/24/53/74/572245374.db2.gz DNVUJBSKZPUEGE-SNVBAGLBSA-N 1 1 153.269 2.415 10 0 AEAEMO CCCSC[C@@H]([NH2+]CC)C(F)F 687714350 572245698 /nfs/dbraw/zinc/24/56/98/572245698.db2.gz CGJXDDCOHMILQO-SSDOTTSWSA-N 1 1 197.294 2.373 10 0 AEAEMO C[C@@H](O)CCCC[N@H+]1CCC[C@H]1C 45618896 572246025 /nfs/dbraw/zinc/24/60/25/572246025.db2.gz HSKFQSJFVDWBCW-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO CCCSC[C@H]([NH2+]CC)C(F)F 687714351 572246062 /nfs/dbraw/zinc/24/60/62/572246062.db2.gz CGJXDDCOHMILQO-ZETCQYMHSA-N 1 1 197.294 2.373 10 0 AEAEMO C1CC[C@H]2CCCC[N@H+]2CC1 21378587 572246153 /nfs/dbraw/zinc/24/61/53/572246153.db2.gz DNVUJBSKZPUEGE-JTQLQIEISA-N 1 1 153.269 2.415 10 0 AEAEMO C[C@H]1CCC[N@H+](CCCC[C@@H](C)O)C1 45619072 572246219 /nfs/dbraw/zinc/24/62/19/572246219.db2.gz FWMRPJPGSWXRNC-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[N@@H+](CC[C@@H]1CCCC[NH2+]1)C1CC1 47920696 572246526 /nfs/dbraw/zinc/24/65/26/572246526.db2.gz SBEGJSRRMNAGIZ-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CCC[N@H+]1CCC(=O)[C@H]1CC(C)(C)C 712047501 572247129 /nfs/dbraw/zinc/24/71/29/572247129.db2.gz WBZGRLICALVBIR-SNVBAGLBSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC[N@H+]1CCC(=O)[C@@H]1CC(C)(C)C 712047500 572247363 /nfs/dbraw/zinc/24/73/63/572247363.db2.gz WBZGRLICALVBIR-JTQLQIEISA-N 1 1 197.322 2.476 10 0 AEAEMO CC[N@@H+](CC[C@H]1CCCC[NH2+]1)C1CC1 47920698 572247883 /nfs/dbraw/zinc/24/78/83/572247883.db2.gz SBEGJSRRMNAGIZ-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@H](C)COC 687714750 572249168 /nfs/dbraw/zinc/24/91/68/572249168.db2.gz WMPMKYKAFSMXJL-VIFPVBQESA-N 1 1 173.300 2.142 10 0 AEAEMO CCC[C@H](C)[C@@H](CN)[N@H+]1CC[C@H](C)C1 49952931 572249710 /nfs/dbraw/zinc/24/97/10/572249710.db2.gz BATFAWAKNMUTSC-SDDRHHMPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[NH2+][C@@H]1CCN(C2CC2)[C@H](C)C1 49709002 572249826 /nfs/dbraw/zinc/24/98/26/572249826.db2.gz CHSOHIRYJOICQH-GHMZBOCLSA-N 1 1 196.338 2.001 10 0 AEAEMO CCC(CC)[N@@H+](C)CCCOC 687714782 572249931 /nfs/dbraw/zinc/24/99/31/572249931.db2.gz HSDRSLPOYUZRMW-UHFFFAOYSA-N 1 1 173.300 2.143 10 0 AEAEMO CCC[NH2+][C@H]1CCN(C2CC2)[C@H](C)C1 49709003 572250128 /nfs/dbraw/zinc/25/01/28/572250128.db2.gz CHSOHIRYJOICQH-MNOVXSKESA-N 1 1 196.338 2.001 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@H](C)COC 687714749 572250409 /nfs/dbraw/zinc/25/04/09/572250409.db2.gz WMPMKYKAFSMXJL-SECBINFHSA-N 1 1 173.300 2.142 10 0 AEAEMO CCC[C@H](C)[C@H](CN)[N@H+]1CC[C@H](C)C1 49952933 572250494 /nfs/dbraw/zinc/25/04/94/572250494.db2.gz BATFAWAKNMUTSC-SRVKXCTJSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCCCC[C@H](C)[N@H+]1CC[C@H](N)C1 49216668 572250510 /nfs/dbraw/zinc/25/05/10/572250510.db2.gz SVFKOBNCHMXYSE-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCC[C@H](C)N1CC[C@H]([NH3+])C1 49216668 572250513 /nfs/dbraw/zinc/25/05/13/572250513.db2.gz SVFKOBNCHMXYSE-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO C[NH2+][C@@H](CCC1CC1)C(F)F 234398669 572250570 /nfs/dbraw/zinc/25/05/70/572250570.db2.gz OTYFSJKUGDVKLD-ZETCQYMHSA-N 1 1 163.211 2.030 10 0 AEAEMO CCC[C@@H](CC)[N@H+]1CCC(=O)[C@H](C)C1 50404894 572250925 /nfs/dbraw/zinc/25/09/25/572250925.db2.gz KCXGYARWURAELB-GHMZBOCLSA-N 1 1 197.322 2.476 10 0 AEAEMO C[NH2+][C@@H](CCN(C)C)C1=CCCCC1 234399641 572251751 /nfs/dbraw/zinc/25/17/51/572251751.db2.gz HTALZHFJIBSWJA-LBPRGKRZSA-N 1 1 196.338 2.027 10 0 AEAEMO CC[NH2+][C@H](CC)C[N@H+]1CCC[C@H]1CC 50179407 572251877 /nfs/dbraw/zinc/25/18/77/572251877.db2.gz XNRPNAACUJAQKQ-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[NH2+][C@H](CC)CN1CCC[C@H]1CC 50179407 572251878 /nfs/dbraw/zinc/25/18/78/572251878.db2.gz XNRPNAACUJAQKQ-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO C/C=C/C[N@H+](CCO)C(CC)CC 50107103 572251934 /nfs/dbraw/zinc/25/19/34/572251934.db2.gz MAJQBKPCYBANMG-QPJJXVBHSA-N 1 1 185.311 2.045 10 0 AEAEMO CC[C@H](C[N@@H+]1CCCC[C@H]1CC)NC 50179189 572251952 /nfs/dbraw/zinc/25/19/52/572251952.db2.gz BXTQWBLSBSDPCR-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C[N@H+]1CCCC[C@H]1CC)NC 50179189 572251953 /nfs/dbraw/zinc/25/19/53/572251953.db2.gz BXTQWBLSBSDPCR-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(=O)C[N@@H+](C)[C@@H]1CCC[C@H](C)C1 50179976 572251987 /nfs/dbraw/zinc/25/19/87/572251987.db2.gz CXYHBHNAONPTGJ-WDEREUQCSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC[C@H](CC)[N@H+]1CCC(=O)[C@H](C)C1 50404896 572251972 /nfs/dbraw/zinc/25/19/72/572251972.db2.gz KCXGYARWURAELB-MNOVXSKESA-N 1 1 197.322 2.476 10 0 AEAEMO CCCC[C@@H](CC)C[N@H+]1CC[C@H](N)C1 50244004 572252317 /nfs/dbraw/zinc/25/23/17/572252317.db2.gz NDVJGPJEUDBRHI-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[C@H](CC)C[N@H+]1CC[C@H](N)C1 50244005 572252405 /nfs/dbraw/zinc/25/24/05/572252405.db2.gz NDVJGPJEUDBRHI-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@H](CC)[N@H+]1CCNC[C@H](C)C1 50407921 572252458 /nfs/dbraw/zinc/25/24/58/572252458.db2.gz IDNDFRNOGAXYNI-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO C/C=C/C[N@@H+](CCO)C1CCCCC1 50106374 572252483 /nfs/dbraw/zinc/25/24/83/572252483.db2.gz UQRVWLWTZQVRRP-NSCUHMNNSA-N 1 1 197.322 2.190 10 0 AEAEMO CCC[C@H](CC)[N@H+]1CCNC[C@H](C)C1 50407923 572252707 /nfs/dbraw/zinc/25/27/07/572252707.db2.gz IDNDFRNOGAXYNI-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC(=O)C[N@@H+](C)[C@H]1CCC[C@H](C)C1 50179977 572252711 /nfs/dbraw/zinc/25/27/11/572252711.db2.gz CXYHBHNAONPTGJ-QWRGUYRKSA-N 1 1 197.322 2.476 10 0 AEAEMO CCCC[N@@H+](C)[C@H]1CCC(C)(C)[C@@H]1O 86866152 572327304 /nfs/dbraw/zinc/32/73/04/572327304.db2.gz CFLRGWRWSRANKH-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@@H+](C/C=C/Cl)[C@@H](C)COC 307975035 572326280 /nfs/dbraw/zinc/32/62/80/572326280.db2.gz KEECHRRKVFGXNR-CYNONHLPSA-N 1 1 191.702 2.096 10 0 AEAEMO CC[C@H](C)C[C@]1(O)CC[N@H+](C2CC2)C1 83504071 572327364 /nfs/dbraw/zinc/32/73/64/572327364.db2.gz CJEVUTJTQUQBJX-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCCC[C@@]1(O)CC[N@H+](C2CC2)C1 83504043 572327590 /nfs/dbraw/zinc/32/75/90/572327590.db2.gz UOKRKAFDUNMMGS-GFCCVEGCSA-N 1 1 197.322 2.166 10 0 AEAEMO CCC[N@@H+](C)[C@]1(CN)CCCC1(C)C 86865621 572327683 /nfs/dbraw/zinc/32/76/83/572327683.db2.gz BQKAQDIXUIZJOB-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCSCC[N@H+]1CC[C@](C)(F)C1 307976553 572328278 /nfs/dbraw/zinc/32/82/78/572328278.db2.gz LQAGOQXEKGIOJE-VIFPVBQESA-N 1 1 191.315 2.173 10 0 AEAEMO CC[C@H](C)[N@@H+](C)CC1(O)CCCCC1 83585900 572328362 /nfs/dbraw/zinc/32/83/62/572328362.db2.gz RSEOYANPBDDBKB-NSHDSACASA-N 1 1 199.338 2.412 10 0 AEAEMO CCC[N@@H+](CC)[C@H]1CCC(C)(C)[C@@H]1O 86866202 572326259 /nfs/dbraw/zinc/32/62/59/572326259.db2.gz GVFYRFRFUITJSU-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCCCC[C@]1(O)CC[N@@H+](C)C1 83503984 572326286 /nfs/dbraw/zinc/32/62/86/572326286.db2.gz AKPNOLYSRHUVMH-NSHDSACASA-N 1 1 185.311 2.023 10 0 AEAEMO CC[N@@H+](C/C=C\Cl)[C@@H](C)COC 307975037 572326313 /nfs/dbraw/zinc/32/63/13/572326313.db2.gz KEECHRRKVFGXNR-UDIARPCQSA-N 1 1 191.702 2.096 10 0 AEAEMO CCCC[N@@H+](C)[C@@H]1CCC(C)(C)[C@@H]1O 86866151 572326545 /nfs/dbraw/zinc/32/65/45/572326545.db2.gz CFLRGWRWSRANKH-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCCCC[C@@]1(O)CC[N@@H+](C)C1 83503985 572326670 /nfs/dbraw/zinc/32/66/70/572326670.db2.gz AKPNOLYSRHUVMH-LLVKDONJSA-N 1 1 185.311 2.023 10 0 AEAEMO CCCCC[C@]1(O)CC[N@H+](C2CC2)C1 83504042 572326762 /nfs/dbraw/zinc/32/67/62/572326762.db2.gz UOKRKAFDUNMMGS-LBPRGKRZSA-N 1 1 197.322 2.166 10 0 AEAEMO CC[C@H](C)C[C@@]1(O)CC[N@H+](C2CC2)C1 83504073 572326775 /nfs/dbraw/zinc/32/67/75/572326775.db2.gz CJEVUTJTQUQBJX-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H](C)C[C@@]1(O)CC[N@H+](C2CC2)C1 83504072 572327240 /nfs/dbraw/zinc/32/72/40/572327240.db2.gz CJEVUTJTQUQBJX-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)CC[C@@]1(O)CC[N@H+](C2CC2)C1 83504065 572326877 /nfs/dbraw/zinc/32/68/77/572326877.db2.gz WEYUVBCAKPPCRE-GFCCVEGCSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H](C)C[C@]1(O)CC[N@H+](C2CC2)C1 83504070 572326887 /nfs/dbraw/zinc/32/68/87/572326887.db2.gz CJEVUTJTQUQBJX-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[N@@H+](C/C=C/Cl)[C@H](C)COC 307975038 572326932 /nfs/dbraw/zinc/32/69/32/572326932.db2.gz KEECHRRKVFGXNR-VUHVRTRXSA-N 1 1 191.702 2.096 10 0 AEAEMO CCC[N@@H+](CC)[C@@H]1CCC(C)(C)[C@@H]1O 86866201 572326949 /nfs/dbraw/zinc/32/69/49/572326949.db2.gz GVFYRFRFUITJSU-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)CC[C@]1(O)CC[N@H+](C2CC2)C1 83504064 572327165 /nfs/dbraw/zinc/32/71/65/572327165.db2.gz WEYUVBCAKPPCRE-LBPRGKRZSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[N@@H+](C/C=C\Cl)[C@H](C)COC 307975036 572327618 /nfs/dbraw/zinc/32/76/18/572327618.db2.gz KEECHRRKVFGXNR-SSJHQANKSA-N 1 1 191.702 2.096 10 0 AEAEMO CCSCC[N@H+]1CC[C@@](C)(F)C1 307976552 572328116 /nfs/dbraw/zinc/32/81/16/572328116.db2.gz LQAGOQXEKGIOJE-SECBINFHSA-N 1 1 191.315 2.173 10 0 AEAEMO CC(C)C[N@@H+](C)CC1(O)CCCCC1 83585906 572328782 /nfs/dbraw/zinc/32/87/82/572328782.db2.gz LARFPSCXGZDWID-UHFFFAOYSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[N@@H+](C)[C@@]1(CN)CCCC1(C)C 86865622 572328842 /nfs/dbraw/zinc/32/88/42/572328842.db2.gz BQKAQDIXUIZJOB-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[N@@H+](C)CC1(O)CCCCC1 83585904 572329979 /nfs/dbraw/zinc/32/99/79/572329979.db2.gz PWRZUQLZRSERSJ-UHFFFAOYSA-N 1 1 185.311 2.023 10 0 AEAEMO CC[N@@H+](CC1(O)CCCCC1)C(C)C 83585895 572330399 /nfs/dbraw/zinc/33/03/99/572330399.db2.gz IEUGUTXMANYDIZ-UHFFFAOYSA-N 1 1 199.338 2.412 10 0 AEAEMO CCc1cc(C(=[NH2+])OC)ccc1OC 77277757 572330850 /nfs/dbraw/zinc/33/08/50/572330850.db2.gz FQIAWQNMYRBVLP-UHFFFAOYSA-N 1 1 193.246 2.229 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)CC1(O)CCCCC1 83585898 572330911 /nfs/dbraw/zinc/33/09/11/572330911.db2.gz RSEOYANPBDDBKB-LLVKDONJSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC[N@@H+](C)C[C@H]1CCC(C)(C)C1=O 86870795 572333088 /nfs/dbraw/zinc/33/30/88/572333088.db2.gz DDMVKERNIGXWDS-SNVBAGLBSA-N 1 1 197.322 2.334 10 0 AEAEMO CCOc1ccc(C(=[NH2+])OC)cc1C 77277769 572331092 /nfs/dbraw/zinc/33/10/92/572331092.db2.gz AUSGWOBOAOSJKZ-UHFFFAOYSA-N 1 1 193.246 2.365 10 0 AEAEMO CCCC[N@@H+](CCC)C(C)(C)CO 238202894 572331174 /nfs/dbraw/zinc/33/11/74/572331174.db2.gz ZGVJJCMJLHVAKX-UHFFFAOYSA-N 1 1 187.327 2.269 10 0 AEAEMO C=C/C=C\CC[C@@H]([NH3+])CN(CC)CC 713677049 572331287 /nfs/dbraw/zinc/33/12/87/572331287.db2.gz GAQHOQRGPVJXKD-QDZRJHCZSA-N 1 1 196.338 2.178 10 0 AEAEMO C=C/C=C\CC[C@@H](N)C[NH+](CC)CC 713677049 572331290 /nfs/dbraw/zinc/33/12/90/572331290.db2.gz GAQHOQRGPVJXKD-QDZRJHCZSA-N 1 1 196.338 2.178 10 0 AEAEMO CCC[C@@H](C)c1cnc(C[NH3+])o1 83554460 572331452 /nfs/dbraw/zinc/33/14/52/572331452.db2.gz BOTMXWRUFCSLHD-SSDOTTSWSA-N 1 1 168.240 2.037 10 0 AEAEMO CCCCc1cnc([C@H](C)[NH3+])o1 83554668 572331625 /nfs/dbraw/zinc/33/16/25/572331625.db2.gz PBIYLMOWQNWIDW-ZETCQYMHSA-N 1 1 168.240 2.037 10 0 AEAEMO CC(C)CCc1cnc([C@H](C)[NH3+])o1 83554596 572331661 /nfs/dbraw/zinc/33/16/61/572331661.db2.gz NOPWZSOFIVGXBX-QMMMGPOBSA-N 1 1 182.267 2.283 10 0 AEAEMO CCCCc1cnc([C@@H](C)[NH3+])o1 83554667 572333128 /nfs/dbraw/zinc/33/31/28/572333128.db2.gz PBIYLMOWQNWIDW-SSDOTTSWSA-N 1 1 168.240 2.037 10 0 AEAEMO CCC[N@@H+](C)C[C@@H]1CCC(C)(C)C1=O 86870793 572333155 /nfs/dbraw/zinc/33/31/55/572333155.db2.gz DDMVKERNIGXWDS-JTQLQIEISA-N 1 1 197.322 2.334 10 0 AEAEMO CCC[C@H](C)c1cnc(C[NH3+])o1 83554461 572332153 /nfs/dbraw/zinc/33/21/53/572332153.db2.gz BOTMXWRUFCSLHD-ZETCQYMHSA-N 1 1 168.240 2.037 10 0 AEAEMO C[NH2+]Cc1ncc([C@@H](C)C(C)C)o1 83555165 572333166 /nfs/dbraw/zinc/33/31/66/572333166.db2.gz IHRKYRGCFTYGRU-QMMMGPOBSA-N 1 1 182.267 2.154 10 0 AEAEMO CCC[C@@H](C)c1cnc(C[NH2+]C)o1 83555183 572332194 /nfs/dbraw/zinc/33/21/94/572332194.db2.gz WUJKNBRYNGZJSE-MRVPVSSYSA-N 1 1 182.267 2.298 10 0 AEAEMO CC(C)CCc1cnc([C@@H](C)[NH3+])o1 83554595 572332305 /nfs/dbraw/zinc/33/23/05/572332305.db2.gz NOPWZSOFIVGXBX-MRVPVSSYSA-N 1 1 182.267 2.283 10 0 AEAEMO [NH3+]Cc1ncc(CCC2CCCC2)o1 83554513 572332548 /nfs/dbraw/zinc/33/25/48/572332548.db2.gz LGMNFTBHVCZLLJ-UHFFFAOYSA-N 1 1 194.278 2.256 10 0 AEAEMO C[C@@H](Cc1cnc(C[NH3+])o1)C(C)(C)C 83554504 572332873 /nfs/dbraw/zinc/33/28/73/572332873.db2.gz WOSXLOISKZDXJI-QMMMGPOBSA-N 1 1 196.294 2.358 10 0 AEAEMO C[C@H](Cc1cnc(C[NH3+])o1)C(C)(C)C 83554505 572333000 /nfs/dbraw/zinc/33/30/00/572333000.db2.gz WOSXLOISKZDXJI-MRVPVSSYSA-N 1 1 196.294 2.358 10 0 AEAEMO CCCC[N@@H+](CCC)CC(C)=O 238202921 572333017 /nfs/dbraw/zinc/33/30/17/572333017.db2.gz ZZIQOMPVSWWAAU-UHFFFAOYSA-N 1 1 171.284 2.088 10 0 AEAEMO CCOCCCCc1ccc[nH+]c1N 83553333 572333463 /nfs/dbraw/zinc/33/34/63/572333463.db2.gz YMAQQWOEFXMRHS-UHFFFAOYSA-N 1 1 194.278 2.023 10 0 AEAEMO CCC[C@H](C)c1cnc(C[NH2+]C)o1 83555184 572333507 /nfs/dbraw/zinc/33/35/07/572333507.db2.gz WUJKNBRYNGZJSE-QMMMGPOBSA-N 1 1 182.267 2.298 10 0 AEAEMO C[NH2+]Cc1ncc(CC2CCCC2)o1 83555263 572333628 /nfs/dbraw/zinc/33/36/28/572333628.db2.gz FLWMXIXAXKLTPT-UHFFFAOYSA-N 1 1 194.278 2.127 10 0 AEAEMO c1nc(C[NH2+]C2CC2)oc1C1CCC1 83555788 572334262 /nfs/dbraw/zinc/33/42/62/572334262.db2.gz CVULLVAGGBBPDM-UHFFFAOYSA-N 1 1 192.262 2.194 10 0 AEAEMO CC(=O)[C@@H](C)[N@@H+](C)CCC1CCC1 688692635 572334283 /nfs/dbraw/zinc/33/42/83/572334283.db2.gz YAUQPTZHJOFAPZ-SECBINFHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)c1cnc(C[NH2+]C2CC2)o1 83555697 572334284 /nfs/dbraw/zinc/33/42/84/572334284.db2.gz ICLYYWODKCXTRP-UHFFFAOYSA-N 1 1 180.251 2.050 10 0 AEAEMO CC(=O)[C@H](C)[N@@H+](C)CCC1CCC1 688692636 572334597 /nfs/dbraw/zinc/33/45/97/572334597.db2.gz YAUQPTZHJOFAPZ-VIFPVBQESA-N 1 1 183.295 2.086 10 0 AEAEMO C[C@@H]1C[C@@H]1c1cnc(C[NH2+]C2CC2)o1 83555725 572334859 /nfs/dbraw/zinc/33/48/59/572334859.db2.gz UDJWKZWTUXPHFC-APPZFPTMSA-N 1 1 192.262 2.050 10 0 AEAEMO CCCCc1cnc(C[NH2+]C2CC2)o1 83555768 572334978 /nfs/dbraw/zinc/33/49/78/572334978.db2.gz MUZPYMCWUIJMLU-UHFFFAOYSA-N 1 1 194.278 2.269 10 0 AEAEMO CCC[C@@H]1CCC[N@H+]1CCCCO 196456374 572335109 /nfs/dbraw/zinc/33/51/09/572335109.db2.gz RGKQIUSNYROWNZ-LLVKDONJSA-N 1 1 185.311 2.023 10 0 AEAEMO CCC[C@H]1CCC[N@H+]1CCCCO 196456383 572335127 /nfs/dbraw/zinc/33/51/27/572335127.db2.gz RGKQIUSNYROWNZ-NSHDSACASA-N 1 1 185.311 2.023 10 0 AEAEMO C[C@@H]1C[C@H]1c1cnc(C[NH2+]C2CC2)o1 83555728 572335450 /nfs/dbraw/zinc/33/54/50/572335450.db2.gz UDJWKZWTUXPHFC-VXNVDRBHSA-N 1 1 192.262 2.050 10 0 AEAEMO CC[C@@H](C)c1cnc(C[NH2+]C2CC2)o1 83555762 572335524 /nfs/dbraw/zinc/33/55/24/572335524.db2.gz UIXOBNLFRQQBFC-MRVPVSSYSA-N 1 1 194.278 2.440 10 0 AEAEMO C[C@H]1C[C@@H]1c1cnc(C[NH2+]C2CC2)o1 83555727 572335540 /nfs/dbraw/zinc/33/55/40/572335540.db2.gz UDJWKZWTUXPHFC-CBAPKCEASA-N 1 1 192.262 2.050 10 0 AEAEMO C[C@H]1C[C@H]1c1cnc(C[NH2+]C2CC2)o1 83555730 572335943 /nfs/dbraw/zinc/33/59/43/572335943.db2.gz UDJWKZWTUXPHFC-IONNQARKSA-N 1 1 192.262 2.050 10 0 AEAEMO CC(C)Cc1cnc(C[NH2+]C2CC2)o1 83555756 572336064 /nfs/dbraw/zinc/33/60/64/572336064.db2.gz AAKWEPSWLOBRMS-UHFFFAOYSA-N 1 1 194.278 2.125 10 0 AEAEMO CC[C@H](C)c1cnc(C[NH2+]C2CC2)o1 83555764 572336497 /nfs/dbraw/zinc/33/64/97/572336497.db2.gz UIXOBNLFRQQBFC-QMMMGPOBSA-N 1 1 194.278 2.440 10 0 AEAEMO C=C/C=C\CC[C@H](CCN(C)C)[NH2+]C 713680997 572336751 /nfs/dbraw/zinc/33/67/51/572336751.db2.gz RBGXTNCBGQSIPH-ZHRWSRJISA-N 1 1 196.338 2.049 10 0 AEAEMO CC[C@H](F)C[N@H+]1CC[C@H](CC)C1 307982139 572337296 /nfs/dbraw/zinc/33/72/96/572337296.db2.gz PKOFIXIDCRHUBW-UWVGGRQHSA-N 1 1 173.275 2.466 10 0 AEAEMO C[N@H+](C1CC1)[C@@H](CO)C1CCCCC1 77296286 572339122 /nfs/dbraw/zinc/33/91/22/572339122.db2.gz NPUFTTCTTDVMAI-LBPRGKRZSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H](F)C[N@H+]1CC[C@@H](CC)C1 307982137 572337536 /nfs/dbraw/zinc/33/75/36/572337536.db2.gz PKOFIXIDCRHUBW-NXEZZACHSA-N 1 1 173.275 2.466 10 0 AEAEMO C/C=C\CN1CC(C)(C)[NH2+]CC[C@@H]1C 393676475 572337645 /nfs/dbraw/zinc/33/76/45/572337645.db2.gz ACCRSOQABHZRTF-GZTOBOFZSA-N 1 1 196.338 2.025 10 0 AEAEMO C=C/C=C/CC[C@@H](CCN(C)C)[NH2+]C 713680994 572337789 /nfs/dbraw/zinc/33/77/89/572337789.db2.gz RBGXTNCBGQSIPH-SYTKJHMZSA-N 1 1 196.338 2.049 10 0 AEAEMO C=C/C=C/CC[C@H](CCN(C)C)[NH2+]C 713680988 572337856 /nfs/dbraw/zinc/33/78/56/572337856.db2.gz RBGXTNCBGQSIPH-NNNHXZLVSA-N 1 1 196.338 2.049 10 0 AEAEMO CC[C@H]1CC[N@H+](C[C@H](F)CC)C1 307982140 572338262 /nfs/dbraw/zinc/33/82/62/572338262.db2.gz PKOFIXIDCRHUBW-VHSXEESVSA-N 1 1 173.275 2.466 10 0 AEAEMO C=C/C=C\CC[C@@H](CCN(C)C)[NH2+]C 713680985 572338856 /nfs/dbraw/zinc/33/88/56/572338856.db2.gz RBGXTNCBGQSIPH-DGMVEKRQSA-N 1 1 196.338 2.049 10 0 AEAEMO C[C@H]1CC[N@H+](C2CCC2)CC[C@@H](C)[NH2+]1 52213818 572338933 /nfs/dbraw/zinc/33/89/33/572338933.db2.gz ATVXJOIVOWPZRI-PHIMTYICSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H](F)C[N@H+]1CC[C@@H](CC)C1 307982141 572339161 /nfs/dbraw/zinc/33/91/61/572339161.db2.gz PKOFIXIDCRHUBW-ZJUUUORDSA-N 1 1 173.275 2.466 10 0 AEAEMO C[N@H+](C1CC1)[C@H](CO)C1CCCCC1 77296287 572339494 /nfs/dbraw/zinc/33/94/94/572339494.db2.gz NPUFTTCTTDVMAI-GFCCVEGCSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC(C)(C)CCC[NH+]1CCNCC1 77296483 572340026 /nfs/dbraw/zinc/34/00/26/572340026.db2.gz IUQJJNRLTQHNLN-UHFFFAOYSA-N 1 1 198.354 2.108 10 0 AEAEMO CCC[N@@H+](C)[C@H](O)c1ccccc1 238215072 572340275 /nfs/dbraw/zinc/34/02/75/572340275.db2.gz PEAWRERHJODJSL-LLVKDONJSA-N 1 1 179.263 2.019 10 0 AEAEMO C[N@H+]1CCCCC(C)(C)C1 60247372 572340930 /nfs/dbraw/zinc/34/09/30/572340930.db2.gz RTMBVIAUHVXGJX-UHFFFAOYSA-N 1 1 141.258 2.128 10 0 AEAEMO CCCC(C)(C)CC[NH+]1CCNCC1 77296481 572341554 /nfs/dbraw/zinc/34/15/54/572341554.db2.gz XHWKXXNQBZMZTI-UHFFFAOYSA-N 1 1 198.354 2.108 10 0 AEAEMO CCC[N@@H+](C)[C@@H](O)c1ccccc1 238214637 572341903 /nfs/dbraw/zinc/34/19/03/572341903.db2.gz PEAWRERHJODJSL-NSHDSACASA-N 1 1 179.263 2.019 10 0 AEAEMO CCCCCC[C@@H]1CCC[N@H+]1CCO 238212626 572341972 /nfs/dbraw/zinc/34/19/72/572341972.db2.gz APHTZDHAEAJEJK-GFCCVEGCSA-N 1 1 199.338 2.414 10 0 AEAEMO CCSCC[N@H+]1CCC[C@H]2C[C@H]21 307980777 572343503 /nfs/dbraw/zinc/34/35/03/572343503.db2.gz ONZQDKCBBBFTCE-VHSXEESVSA-N 1 1 185.336 2.224 10 0 AEAEMO CCSCC[N@H+]1CCC[C@@H]2C[C@@H]21 307980778 572344529 /nfs/dbraw/zinc/34/45/29/572344529.db2.gz ONZQDKCBBBFTCE-ZJUUUORDSA-N 1 1 185.336 2.224 10 0 AEAEMO CCCC[N@@H+](C)[C@@]1(C)CCC[C@]1(C)O 313156972 572344631 /nfs/dbraw/zinc/34/46/31/572344631.db2.gz CZSQQJPPRWABRQ-RYUDHWBXSA-N 1 1 199.338 2.412 10 0 AEAEMO CC[C@@H](CNC)[NH+]1CCCCCCC1 52424867 572345418 /nfs/dbraw/zinc/34/54/18/572345418.db2.gz KBGRGZPJTDGBKL-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCC[C@H](C)[N@@H+](C)CCO 238217064 572345638 /nfs/dbraw/zinc/34/56/38/572345638.db2.gz GEHFSZFFSYHHSE-NSHDSACASA-N 1 1 187.327 2.269 10 0 AEAEMO CCCC[N@@H+](C)Cc1ccc[nH]1 307983805 572348344 /nfs/dbraw/zinc/34/83/44/572348344.db2.gz QFVBCSABTVCPER-UHFFFAOYSA-N 1 1 166.268 2.247 10 0 AEAEMO CCC[N@@H+](CCOC)[C@H](C)CC 307988008 572350954 /nfs/dbraw/zinc/35/09/54/572350954.db2.gz RWYSVGAOWBALCO-SNVBAGLBSA-N 1 1 173.300 2.143 10 0 AEAEMO CCC[N@@H+](CCOC)[C@@H](C)CC 307988007 572351156 /nfs/dbraw/zinc/35/11/56/572351156.db2.gz RWYSVGAOWBALCO-JTQLQIEISA-N 1 1 173.300 2.143 10 0 AEAEMO CCC[N@H+](CC)[C@H](CC)CNC1CC1 52448155 572351363 /nfs/dbraw/zinc/35/13/63/572351363.db2.gz FXRRADUQVWEAQQ-GFCCVEGCSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@@H+](CC)[C@H](CC)CNC1CC1 52448155 572351367 /nfs/dbraw/zinc/35/13/67/572351367.db2.gz FXRRADUQVWEAQQ-GFCCVEGCSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@@H+](C)Cc1cc[nH]c1 307988593 572353010 /nfs/dbraw/zinc/35/30/10/572353010.db2.gz SESNCNBAYZJEQP-UHFFFAOYSA-N 1 1 166.268 2.247 10 0 AEAEMO C[C@H]1CCC[N@H+]1[C@@H]1C[C@H](C)CC[C@@H]1O 44112958 572355452 /nfs/dbraw/zinc/35/54/52/572355452.db2.gz YVGDGXNDCAWOKR-KXNHARMFSA-N 1 1 197.322 2.020 10 0 AEAEMO Cc1c[nH]c(C)c1C1=CC[N@@H+](C)CC1 140937303 572354523 /nfs/dbraw/zinc/35/45/23/572354523.db2.gz VCJVHCCCWRHFCO-UHFFFAOYSA-N 1 1 190.290 2.350 10 0 AEAEMO CCC(CC)[N@H+](C)[C@@H](CC)CNC 52477971 572354619 /nfs/dbraw/zinc/35/46/19/572354619.db2.gz QEQJUNXIRJOVMX-NSHDSACASA-N 1 1 186.343 2.105 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@H](CC)CNC 52477971 572354620 /nfs/dbraw/zinc/35/46/20/572354620.db2.gz QEQJUNXIRJOVMX-NSHDSACASA-N 1 1 186.343 2.105 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1O 44126254 572355125 /nfs/dbraw/zinc/35/51/25/572355125.db2.gz HLKXAYZWIVQRQQ-KXNHARMFSA-N 1 1 199.338 2.266 10 0 AEAEMO CCCCCCN1C[C@@H](C)C[C@H]([NH3+])C1 87039342 572355177 /nfs/dbraw/zinc/35/51/77/572355177.db2.gz QJSWEGHQZWHQTM-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCCC[N@@H+]1C[C@@H](C)C[C@H](N)C1 87039342 572355180 /nfs/dbraw/zinc/35/51/80/572355180.db2.gz QJSWEGHQZWHQTM-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCCC[N@H+]1C[C@@H](C)C[C@H](N)C1 87039342 572355185 /nfs/dbraw/zinc/35/51/85/572355185.db2.gz QJSWEGHQZWHQTM-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCCCN1C[C@@H]([NH3+])C[C@@H](C)C1 87039340 572355319 /nfs/dbraw/zinc/35/53/19/572355319.db2.gz QJSWEGHQZWHQTM-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCCC[N@H+]1C[C@@H](N)C[C@@H](C)C1 87039340 572355320 /nfs/dbraw/zinc/35/53/20/572355320.db2.gz QJSWEGHQZWHQTM-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCCC[N@@H+]1C[C@@H](N)C[C@@H](C)C1 87039340 572355321 /nfs/dbraw/zinc/35/53/21/572355321.db2.gz QJSWEGHQZWHQTM-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC(CC)C[N@H+]1C[C@@H](C)C[C@H](N)C1 87039493 572355481 /nfs/dbraw/zinc/35/54/81/572355481.db2.gz CUEPTXLKLXNZHP-JQWIXIFHSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(CC)CN1C[C@@H](C)C[C@H]([NH3+])C1 87039493 572355484 /nfs/dbraw/zinc/35/54/84/572355484.db2.gz CUEPTXLKLXNZHP-JQWIXIFHSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H](C1CC1)[N@@H+](C)CC1(O)CCCC1 83587850 572355637 /nfs/dbraw/zinc/35/56/37/572355637.db2.gz WDYICUAFVNCTBG-SNVBAGLBSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)CC1(O)CCCC1 83587789 572355814 /nfs/dbraw/zinc/35/58/14/572355814.db2.gz HYLOXRVVJDJQQA-LLVKDONJSA-N 1 1 199.338 2.412 10 0 AEAEMO C[C@@H](C1CC1)[N@@H+](C)CC1(O)CCCC1 83587848 572355768 /nfs/dbraw/zinc/35/57/68/572355768.db2.gz WDYICUAFVNCTBG-JTQLQIEISA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[N@@H+](CC)CC1(O)CCCC1 83587815 572356055 /nfs/dbraw/zinc/35/60/55/572356055.db2.gz DWRUQDQVZSPGTD-UHFFFAOYSA-N 1 1 185.311 2.023 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)CC1(O)CCCC1 83587792 572356378 /nfs/dbraw/zinc/35/63/78/572356378.db2.gz HYLOXRVVJDJQQA-NSHDSACASA-N 1 1 199.338 2.412 10 0 AEAEMO CCC[C@H](C)C[N@@H+]1C[C@@H](N)C[C@@H](C)C1 87039374 572356758 /nfs/dbraw/zinc/35/67/58/572356758.db2.gz XTTIQUITUNRQLX-TUAOUCFPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H](C)CN1C[C@@H]([NH3+])C[C@@H](C)C1 87039374 572356762 /nfs/dbraw/zinc/35/67/62/572356762.db2.gz XTTIQUITUNRQLX-TUAOUCFPSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](CC1(O)CCCC1)C(C)C 83587799 572356625 /nfs/dbraw/zinc/35/66/25/572356625.db2.gz XASNSWFYOHFHHI-UHFFFAOYSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC(CC)C[N@@H+]1C[C@@H](N)C[C@@H](C)C1 87039491 572357055 /nfs/dbraw/zinc/35/70/55/572357055.db2.gz CUEPTXLKLXNZHP-PWSUYJOCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(CC)CN1C[C@@H]([NH3+])C[C@@H](C)C1 87039491 572357057 /nfs/dbraw/zinc/35/70/57/572357057.db2.gz CUEPTXLKLXNZHP-PWSUYJOCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](CC(C)C)CC1(O)CCCC1 83587794 572357099 /nfs/dbraw/zinc/35/70/99/572357099.db2.gz DWWLOBSPUHWOKS-UHFFFAOYSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC(C)(C)[N@@H+](C)CC1(O)CCCC1 83588114 572357226 /nfs/dbraw/zinc/35/72/26/572357226.db2.gz SQKCFJIRCVDWOS-UHFFFAOYSA-N 1 1 199.338 2.412 10 0 AEAEMO C[C@@H]1CCC[N@H+]1[C@@H]1CCCCC[C@@H]1O 44112969 572357723 /nfs/dbraw/zinc/35/77/23/572357723.db2.gz NJAVWRPUZYTXIH-UTUOFQBUSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@H+]1C[C@@H](C)C[C@@H](C)C1 44113862 572357847 /nfs/dbraw/zinc/35/78/47/572357847.db2.gz NBTZKADFICMOIR-USZNOCQGSA-N 1 1 199.338 2.124 10 0 AEAEMO CCC[N@@H+](CC1(O)CCCC1)C(C)C 83587797 572358018 /nfs/dbraw/zinc/35/80/18/572358018.db2.gz XSAUZYMXMPABCG-UHFFFAOYSA-N 1 1 199.338 2.412 10 0 AEAEMO CCCCC[C@@H]1C[C@@H](CN(C)C)C[NH2+]1 238220477 572358145 /nfs/dbraw/zinc/35/81/45/572358145.db2.gz BJVAKHOBZPEQOS-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)C[N@@H+](C)[C@@H]1CCCCC[C@@H]1O 44129574 572358660 /nfs/dbraw/zinc/35/86/60/572358660.db2.gz NDBAOTUKPJRFQY-NEPJUHHUSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H](O)[C@@H](C)[N@@H+](C)C1CCCCCC1 44160689 572358794 /nfs/dbraw/zinc/35/87/94/572358794.db2.gz PCFNXSYWSYHQMH-MNOVXSKESA-N 1 1 199.338 2.410 10 0 AEAEMO CCC(C)(C)C[C@H](O)[C@@H]1CCC[N@H+]1C 713241817 572358898 /nfs/dbraw/zinc/35/88/98/572358898.db2.gz JXTQCZXKGRRTRB-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H]([C@@H](C)O)[N@@H+](C)C1CCCCCC1 44160683 572358931 /nfs/dbraw/zinc/35/89/31/572358931.db2.gz PCFNXSYWSYHQMH-WDEREUQCSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[C@H](C)[NH2+]C[C@@H](C)N[C@H](C)CC 307991715 572358998 /nfs/dbraw/zinc/35/89/98/572358998.db2.gz PZJXBTPESLUFLK-HBNTYKKESA-N 1 1 186.343 2.151 10 0 AEAEMO CC[C@H](C)NC[C@@H](C)[NH2+][C@H](C)CC 307991715 572359003 /nfs/dbraw/zinc/35/90/03/572359003.db2.gz PZJXBTPESLUFLK-HBNTYKKESA-N 1 1 186.343 2.151 10 0 AEAEMO C[N@@H+](C1CC1)[C@@H]1CCCCCC[C@@H]1O 44129217 572359068 /nfs/dbraw/zinc/35/90/68/572359068.db2.gz VEPWZYCEFCPVSN-NEPJUHHUSA-N 1 1 197.322 2.164 10 0 AEAEMO C[N@@H+](C1CC1)[C@H]1CCCCCC[C@@H]1O 44129220 572359328 /nfs/dbraw/zinc/35/93/28/572359328.db2.gz VEPWZYCEFCPVSN-RYUDHWBXSA-N 1 1 197.322 2.164 10 0 AEAEMO CC(C)C[N@@H+](C)[C@H]1CCCCC[C@@H]1O 44129577 572359821 /nfs/dbraw/zinc/35/98/21/572359821.db2.gz NDBAOTUKPJRFQY-RYUDHWBXSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC(C)(C)C[C@@H](O)[C@@H]1CCC[N@H+]1C 713241818 572360212 /nfs/dbraw/zinc/36/02/12/572360212.db2.gz JXTQCZXKGRRTRB-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H]1CC[C@H](O)[C@H]([N@@H+](C)C2CC2)C1 44129360 572361317 /nfs/dbraw/zinc/36/13/17/572361317.db2.gz HPHOEFGLPVBCFY-JLLWLGSASA-N 1 1 197.322 2.020 10 0 AEAEMO CC[N@@H+](C1CC1)[C@@H]1C[C@H](C)CC[C@@H]1O 44127886 572361436 /nfs/dbraw/zinc/36/14/36/572361436.db2.gz XIQKTGBBRARQGL-JLLWLGSASA-N 1 1 197.322 2.020 10 0 AEAEMO CCCC[N@H+]1CCC[C@@H](O)[C@@H]1CC 238220573 572361444 /nfs/dbraw/zinc/36/14/44/572361444.db2.gz WZQYUEFKYIAFGU-WDEREUQCSA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1[C@@H](C)[C@@H](C)O 44129122 572361036 /nfs/dbraw/zinc/36/10/36/572361036.db2.gz IGXQYXAFWABASF-HBNTYKKESA-N 1 1 185.311 2.020 10 0 AEAEMO C[C@H](O)[C@H](C)[N@@H+](C)C1CCCCCC1 44160687 572361216 /nfs/dbraw/zinc/36/12/16/572361216.db2.gz PCFNXSYWSYHQMH-QWRGUYRKSA-N 1 1 199.338 2.410 10 0 AEAEMO C[N@H+]1C[C@](O)(CC(C)(C)C)CC1(C)C 713242330 572361375 /nfs/dbraw/zinc/36/13/75/572361375.db2.gz LXQXYOSZJHLWNK-LBPRGKRZSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H](O)[C@@H](C)[N@@H+](C)C1CCCC1 44128681 572361601 /nfs/dbraw/zinc/36/16/01/572361601.db2.gz FEXCXKOJHFVKKE-MWLCHTKSSA-N 1 1 185.311 2.020 10 0 AEAEMO C[N@H+]1C[C@@](O)(CC(C)(C)C)CC1(C)C 713242327 572361739 /nfs/dbraw/zinc/36/17/39/572361739.db2.gz LXQXYOSZJHLWNK-GFCCVEGCSA-N 1 1 199.338 2.268 10 0 AEAEMO C[N@@H+](CC1(C(F)F)CC1)C1CC1 307998840 572363572 /nfs/dbraw/zinc/36/35/72/572363572.db2.gz XZZJVWWZQYIREV-UHFFFAOYSA-N 1 1 175.222 2.126 10 0 AEAEMO C[C@@H]1CC[N@H+]([C@@H]2CCCCC[C@@H]2O)C1 44162432 572363830 /nfs/dbraw/zinc/36/38/30/572363830.db2.gz LZCIQCHMKBVPGO-UTUOFQBUSA-N 1 1 197.322 2.022 10 0 AEAEMO Cc1[nH+]c(N)ccc1-c1ccncc1 39474433 572365485 /nfs/dbraw/zinc/36/54/85/572365485.db2.gz NOXKDYMSPZVULF-UHFFFAOYSA-N 1 1 185.230 2.034 10 0 AEAEMO CCCC[N@H+]1CCC[C@H](O)[C@@H]1CC 238220754 572365533 /nfs/dbraw/zinc/36/55/33/572365533.db2.gz WZQYUEFKYIAFGU-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 39437197 572366806 /nfs/dbraw/zinc/36/68/06/572366806.db2.gz MMCXKYPKYQMCRM-NXEZZACHSA-N 1 1 153.269 2.128 10 0 AEAEMO CC/C=C\CC[N@H+]1CC[C@@H]2C[C@@H]21 308000238 572367786 /nfs/dbraw/zinc/36/77/86/572367786.db2.gz YYXHWUIOBUOTPM-CJOPTALJSA-N 1 1 165.280 2.437 10 0 AEAEMO CC/C=C/CC[N@H+]1CC[C@@H]2C[C@@H]21 308000240 572367952 /nfs/dbraw/zinc/36/79/52/572367952.db2.gz YYXHWUIOBUOTPM-YHROSDCASA-N 1 1 165.280 2.437 10 0 AEAEMO CC(C)C(C)(C)C[N@H+]1C[C@H](O)C[C@H]1C 713245215 572369695 /nfs/dbraw/zinc/36/96/95/572369695.db2.gz XDQRBDGBSVJEQX-GHMZBOCLSA-N 1 1 199.338 2.124 10 0 AEAEMO CC(C)C(C)(C)C[N@H+]1C[C@@H](O)C[C@H]1C 713245259 572369785 /nfs/dbraw/zinc/36/97/85/572369785.db2.gz XDQRBDGBSVJEQX-MNOVXSKESA-N 1 1 199.338 2.124 10 0 AEAEMO C[C@H](CC1CCCCC1)[N@@H+](C)CCN 689723737 572370164 /nfs/dbraw/zinc/37/01/64/572370164.db2.gz JREKOJFOKIYKGZ-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@H](CC1CCCCC1)N(C)CC[NH3+] 689723737 572370166 /nfs/dbraw/zinc/37/01/66/572370166.db2.gz JREKOJFOKIYKGZ-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)C(C)(C)C[N@H+]1C[C@H](O)C[C@@H]1C 713245265 572370316 /nfs/dbraw/zinc/37/03/16/572370316.db2.gz XDQRBDGBSVJEQX-WDEREUQCSA-N 1 1 199.338 2.124 10 0 AEAEMO CCCC[N@H+]1C[C@H](C)[C@@H]([NH2+]C)C[C@@H]1C 238222487 572370952 /nfs/dbraw/zinc/37/09/52/572370952.db2.gz YZEUCZLGTBYNMY-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C(C)(C)C[N@H+]1C[C@@H](O)C[C@@H]1C 713245263 572371342 /nfs/dbraw/zinc/37/13/42/572371342.db2.gz XDQRBDGBSVJEQX-QWRGUYRKSA-N 1 1 199.338 2.124 10 0 AEAEMO C[C@@H](CC1CCCCC1)[N@@H+](C)CCN 689723740 572372841 /nfs/dbraw/zinc/37/28/41/572372841.db2.gz JREKOJFOKIYKGZ-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@@H](CC1CCCCC1)N(C)CC[NH3+] 689723740 572372846 /nfs/dbraw/zinc/37/28/46/572372846.db2.gz JREKOJFOKIYKGZ-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCC[C@@H]1C[C@H](CN(C)C)C[NH2+]1 238221485 572375063 /nfs/dbraw/zinc/37/50/63/572375063.db2.gz BJVAKHOBZPEQOS-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H]([NH2+]CCF)c1ccco1 307996722 572375072 /nfs/dbraw/zinc/37/50/72/572375072.db2.gz CNKWHPWEKBYZIA-QMMMGPOBSA-N 1 1 171.215 2.290 10 0 AEAEMO CC[C@H](C)[C@@H]1C[N@H+]([C@H](C)CC)CCN1 252028141 572376760 /nfs/dbraw/zinc/37/67/60/572376760.db2.gz YSTMGLVOUDGLAQ-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@@H]1CN([C@H](C)CC)CC[NH2+]1 252028141 572376762 /nfs/dbraw/zinc/37/67/62/572376762.db2.gz YSTMGLVOUDGLAQ-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]([NH2+]CCF)c1ccco1 307996721 572376189 /nfs/dbraw/zinc/37/61/89/572376189.db2.gz CNKWHPWEKBYZIA-MRVPVSSYSA-N 1 1 171.215 2.290 10 0 AEAEMO C/C=C/C[N@@H+](C)CCC(F)(F)F 308003510 572378748 /nfs/dbraw/zinc/37/87/48/572378748.db2.gz BZIOITSSLMJYBT-ONEGZZNKSA-N 1 1 181.201 2.447 10 0 AEAEMO C/C=C\C[N@@H+](C)CCC(F)(F)F 308003508 572378977 /nfs/dbraw/zinc/37/89/77/572378977.db2.gz BZIOITSSLMJYBT-ARJAWSKDSA-N 1 1 181.201 2.447 10 0 AEAEMO CCC(CC)[NH2+][C@H]1CCCCC[C@@H]1N 87156920 572379440 /nfs/dbraw/zinc/37/94/40/572379440.db2.gz FAERCAQVBZELEQ-RYUDHWBXSA-N 1 1 198.354 2.425 10 0 AEAEMO CCC(CC)[NH2+][C@@H]1CCCC[C@@H]1N 87156844 572380113 /nfs/dbraw/zinc/38/01/13/572380113.db2.gz NAVRFLSNULBIIN-WDEREUQCSA-N 1 1 184.327 2.035 10 0 AEAEMO CCC[N@H+](CCNC)C(CC)CC 87157701 572380071 /nfs/dbraw/zinc/38/00/71/572380071.db2.gz FXLOZEBJEAKWFK-UHFFFAOYSA-N 1 1 186.343 2.106 10 0 AEAEMO CCC(CC)[C@@]1(O)CC[N@H+](C2CC2)C1 87158491 572380205 /nfs/dbraw/zinc/38/02/05/572380205.db2.gz QAWKLBVRHPYLON-GFCCVEGCSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC(CC)[NH2+][C@H]1CCCC[C@@H]1N 87156846 572380275 /nfs/dbraw/zinc/38/02/75/572380275.db2.gz NAVRFLSNULBIIN-QWRGUYRKSA-N 1 1 184.327 2.035 10 0 AEAEMO CCNC[C@@H]1CCC[N@@H+]1C(CC)CC 87157704 572380362 /nfs/dbraw/zinc/38/03/62/572380362.db2.gz NXWLLNUKVXLCSF-LBPRGKRZSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)[NH2+][C@@H]1CCCCC[C@@H]1N 87156919 572380395 /nfs/dbraw/zinc/38/03/95/572380395.db2.gz FAERCAQVBZELEQ-NWDGAFQWSA-N 1 1 198.354 2.425 10 0 AEAEMO CCC(CC)[C@]1(O)CC[N@H+](C2CC2)C1 87158489 572380590 /nfs/dbraw/zinc/38/05/90/572380590.db2.gz QAWKLBVRHPYLON-LBPRGKRZSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[C@H]1CC[N@@H+](CCCF)C1 308000990 572380710 /nfs/dbraw/zinc/38/07/10/572380710.db2.gz ZMLGSXLZZQBTDR-JTQLQIEISA-N 1 1 173.275 2.468 10 0 AEAEMO CCC[C@@H]1CC[N@@H+](CCCF)C1 308000991 572380722 /nfs/dbraw/zinc/38/07/22/572380722.db2.gz ZMLGSXLZZQBTDR-SNVBAGLBSA-N 1 1 173.275 2.468 10 0 AEAEMO CCC(CC)[N@H+]1CCC[C@H](C(C)=O)C1 87157313 572380985 /nfs/dbraw/zinc/38/09/85/572380985.db2.gz WLFAXZRUBQBZIF-NSHDSACASA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(CC)CCC[NH+]1CCNCC1 238224235 572381050 /nfs/dbraw/zinc/38/10/50/572381050.db2.gz VMSISJKEVYPMGN-UHFFFAOYSA-N 1 1 198.354 2.108 10 0 AEAEMO CCNCC[N@H+](CC)C(CC)CC 87157694 572381263 /nfs/dbraw/zinc/38/12/63/572381263.db2.gz WTOFCLHVTDEKNL-UHFFFAOYSA-N 1 1 186.343 2.106 10 0 AEAEMO CCNCC[N@@H+](CC)C(CC)CC 87157694 572381267 /nfs/dbraw/zinc/38/12/67/572381267.db2.gz WTOFCLHVTDEKNL-UHFFFAOYSA-N 1 1 186.343 2.106 10 0 AEAEMO CCC(CC)[NH2+][C@H]1CCCCC[C@H]1N 87156923 572381562 /nfs/dbraw/zinc/38/15/62/572381562.db2.gz FAERCAQVBZELEQ-NEPJUHHUSA-N 1 1 198.354 2.425 10 0 AEAEMO CCC[N@@H+](C)CCc1cccc(N)c1 83739478 572381671 /nfs/dbraw/zinc/38/16/71/572381671.db2.gz KEOAYGOWYZIUTD-UHFFFAOYSA-N 1 1 192.306 2.153 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@]1(CN)CC[C@H](C)C1 252031262 572381969 /nfs/dbraw/zinc/38/19/69/572381969.db2.gz ZICILZBQXBCEBT-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)[N@H+]1CCC[C@@H](C(C)=O)C1 87157315 572381985 /nfs/dbraw/zinc/38/19/85/572381985.db2.gz WLFAXZRUBQBZIF-LLVKDONJSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(CC)[NH2+][C@@H]1CCCC[C@H]1N 87156848 572382052 /nfs/dbraw/zinc/38/20/52/572382052.db2.gz NAVRFLSNULBIIN-GHMZBOCLSA-N 1 1 184.327 2.035 10 0 AEAEMO CCC(CC)[NH2+][C@@H]1CCCCC[C@H]1N 87156921 572382082 /nfs/dbraw/zinc/38/20/82/572382082.db2.gz FAERCAQVBZELEQ-VXGBXAGGSA-N 1 1 198.354 2.425 10 0 AEAEMO CCNC[C@H]1CCC[N@@H+]1C(CC)CC 87157702 572382319 /nfs/dbraw/zinc/38/23/19/572382319.db2.gz NXWLLNUKVXLCSF-GFCCVEGCSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)[N@@H+](CC)C1CC[NH2+]CC1 87158270 572382177 /nfs/dbraw/zinc/38/21/77/572382177.db2.gz AEZLBDFDNBIHBS-UHFFFAOYSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)[N@H+](CC)C1CCNCC1 87158270 572382180 /nfs/dbraw/zinc/38/21/80/572382180.db2.gz AEZLBDFDNBIHBS-UHFFFAOYSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)[N@@H+](CC)C1CCNCC1 87158270 572382184 /nfs/dbraw/zinc/38/21/84/572382184.db2.gz AEZLBDFDNBIHBS-UHFFFAOYSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(=O)C[N@H+]1C[C@@H]2CCCCC[C@H]21 687938471 572383451 /nfs/dbraw/zinc/38/34/51/572383451.db2.gz ZYTHLSNCBNAFEQ-CMPLNLGQSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC(=O)C[N@H+]1C[C@@H]2CCCCC[C@@H]21 687938474 572383846 /nfs/dbraw/zinc/38/38/46/572383846.db2.gz ZYTHLSNCBNAFEQ-JQWIXIFHSA-N 1 1 195.306 2.230 10 0 AEAEMO CCCCCC[C@H](O)c1cnc[nH]1 238225674 572384110 /nfs/dbraw/zinc/38/41/10/572384110.db2.gz KSILUSLPUXDJRP-JTQLQIEISA-N 1 1 182.267 2.414 10 0 AEAEMO C[N@@H+](CCc1ccsc1)C1CC1 308001427 572384346 /nfs/dbraw/zinc/38/43/46/572384346.db2.gz ZQUPGTJFWPRCSU-UHFFFAOYSA-N 1 1 181.304 2.385 10 0 AEAEMO CC(C)[N@@H+](CCF)C[C@@H]1C[C@H]1C 308002174 572386507 /nfs/dbraw/zinc/38/65/07/572386507.db2.gz BMEFXERIRORLFT-ZJUUUORDSA-N 1 1 173.275 2.322 10 0 AEAEMO CCC(=O)C[N@H+]1C[C@H]2CCCCC[C@@H]21 687938477 572384719 /nfs/dbraw/zinc/38/47/19/572384719.db2.gz ZYTHLSNCBNAFEQ-PWSUYJOCSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)(C)c1cnc(C[NH2+]C2CC2)o1 88300757 572384802 /nfs/dbraw/zinc/38/48/02/572384802.db2.gz YLDBRRVESZMFPR-UHFFFAOYSA-N 1 1 194.278 2.224 10 0 AEAEMO CC[N@@H+](C[C@@H]1CCCCC1=O)C1CC1 60720054 572385931 /nfs/dbraw/zinc/38/59/31/572385931.db2.gz VYAXTBBVQXJOCS-JTQLQIEISA-N 1 1 195.306 2.230 10 0 AEAEMO CCC(=O)C[N@H+]1C[C@H]2CCCCC[C@H]21 687938480 572385967 /nfs/dbraw/zinc/38/59/67/572385967.db2.gz ZYTHLSNCBNAFEQ-ZYHUDNBSSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)[N@@H+](CCF)C[C@H]1C[C@@H]1C 308002172 572386044 /nfs/dbraw/zinc/38/60/44/572386044.db2.gz BMEFXERIRORLFT-VHSXEESVSA-N 1 1 173.275 2.322 10 0 AEAEMO CC(C)[N@@H+](CCF)C[C@H]1C[C@H]1C 308002168 572386301 /nfs/dbraw/zinc/38/63/01/572386301.db2.gz BMEFXERIRORLFT-NXEZZACHSA-N 1 1 173.275 2.322 10 0 AEAEMO CC(C)[N@@H+](CCF)C[C@@H]1C[C@@H]1C 308002170 572386479 /nfs/dbraw/zinc/38/64/79/572386479.db2.gz BMEFXERIRORLFT-UWVGGRQHSA-N 1 1 173.275 2.322 10 0 AEAEMO CCC(CC)[N@H+]1CCNC[C@@]1(C)CC 87175474 572386495 /nfs/dbraw/zinc/38/64/95/572386495.db2.gz ATPSYCAWOHKABV-GFCCVEGCSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1CNCC[N@H+]1C(CC)CC 87175461 572386693 /nfs/dbraw/zinc/38/66/93/572386693.db2.gz FKKBLUSKNRTFLB-LBPRGKRZSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]1CNCC[N@H+]1C(CC)CC 87175458 572387709 /nfs/dbraw/zinc/38/77/09/572387709.db2.gz FKKBLUSKNRTFLB-GFCCVEGCSA-N 1 1 198.354 2.249 10 0 AEAEMO c1[nH]c2ccc(NC3CC3)cc2[nH+]1 76599811 572388266 /nfs/dbraw/zinc/38/82/66/572388266.db2.gz KBWAZQSWKJKJHA-UHFFFAOYSA-N 1 1 173.219 2.137 10 0 AEAEMO CCCCCC[C@H]1CCC[N@H+]1CCO 238226321 572389719 /nfs/dbraw/zinc/38/97/19/572389719.db2.gz APHTZDHAEAJEJK-LBPRGKRZSA-N 1 1 199.338 2.414 10 0 AEAEMO CCC1(CC)C[NH2+]C[C@H](CC(C)C)N1 238226320 572389894 /nfs/dbraw/zinc/38/98/94/572389894.db2.gz RRXBBCDBWAZQAP-NSHDSACASA-N 1 1 198.354 2.153 10 0 AEAEMO CC[N@@H+](C[C@@H](C[NH3+])CC(C)C)C1CC1 87187160 572390542 /nfs/dbraw/zinc/39/05/42/572390542.db2.gz HZDJLPGXZQKOAF-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@@H](C[NH3+])C[N@H+]1CCC[C@@H]1C 87187301 572391733 /nfs/dbraw/zinc/39/17/33/572391733.db2.gz NXKBSVIJQKZCJO-RYUDHWBXSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCCC[N@H+]1CCC[C@@](C)(C[NH3+])C1 688705734 572392206 /nfs/dbraw/zinc/39/22/06/572392206.db2.gz WTFUJWBOZCKILV-LBPRGKRZSA-N 1 1 198.354 2.237 10 0 AEAEMO CCCCC[N@@H+]1CCC[C@@](C)(CN)C1 688705734 572392213 /nfs/dbraw/zinc/39/22/13/572392213.db2.gz WTFUJWBOZCKILV-LBPRGKRZSA-N 1 1 198.354 2.237 10 0 AEAEMO CCCCC[N@H+]1CCC[C@@](C)(CN)C1 688705734 572392233 /nfs/dbraw/zinc/39/22/33/572392233.db2.gz WTFUJWBOZCKILV-LBPRGKRZSA-N 1 1 198.354 2.237 10 0 AEAEMO CC[N@@H+](C[C@H](C[NH3+])CC(C)C)C1CC1 87187158 572392821 /nfs/dbraw/zinc/39/28/21/572392821.db2.gz HZDJLPGXZQKOAF-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@@H](C[NH3+])C[N@H+]1CCC[C@H]1C 87187298 572393242 /nfs/dbraw/zinc/39/32/42/572393242.db2.gz NXKBSVIJQKZCJO-NEPJUHHUSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](C)N[C@H](C[NH3+])c1ccccc1 83760589 572394447 /nfs/dbraw/zinc/39/44/47/572394447.db2.gz GUNSSNPPTYGNET-ZYHUDNBSSA-N 1 1 192.306 2.075 10 0 AEAEMO CCCCC[N@H+]1CCC[C@](C)(C[NH3+])C1 688705733 572393675 /nfs/dbraw/zinc/39/36/75/572393675.db2.gz WTFUJWBOZCKILV-GFCCVEGCSA-N 1 1 198.354 2.237 10 0 AEAEMO CCCCC[N@@H+]1CCC[C@](C)(CN)C1 688705733 572393680 /nfs/dbraw/zinc/39/36/80/572393680.db2.gz WTFUJWBOZCKILV-GFCCVEGCSA-N 1 1 198.354 2.237 10 0 AEAEMO CCCCC[N@H+]1CCC[C@](C)(CN)C1 688705733 572393684 /nfs/dbraw/zinc/39/36/84/572393684.db2.gz WTFUJWBOZCKILV-GFCCVEGCSA-N 1 1 198.354 2.237 10 0 AEAEMO CC[C@H](C)N[C@H](C[NH3+])c1ccccc1 83760591 572393971 /nfs/dbraw/zinc/39/39/71/572393971.db2.gz GUNSSNPPTYGNET-CMPLNLGQSA-N 1 1 192.306 2.075 10 0 AEAEMO CC[C@H](C)N[C@@H](C[NH3+])c1ccccc1 83760588 572394222 /nfs/dbraw/zinc/39/42/22/572394222.db2.gz GUNSSNPPTYGNET-JQWIXIFHSA-N 1 1 192.306 2.075 10 0 AEAEMO CC[C@H](C)N[C@H](C[NH3+])c1cccs1 83760268 572394544 /nfs/dbraw/zinc/39/45/44/572394544.db2.gz DMDMVPBSFZNTPI-DTWKUNHWSA-N 1 1 198.335 2.136 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@H]1CCCC[C@@H]1O 69000414 572394548 /nfs/dbraw/zinc/39/45/48/572394548.db2.gz UHIBNBLVGJTRSZ-QWRGUYRKSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[C@@H](C)N[C@@H](C[NH3+])c1cccs1 83760261 572394982 /nfs/dbraw/zinc/39/49/82/572394982.db2.gz DMDMVPBSFZNTPI-BDAKNGLRSA-N 1 1 198.335 2.136 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@]1(CN)CC[C@@H](C)C1 252031261 572394853 /nfs/dbraw/zinc/39/48/53/572394853.db2.gz ZICILZBQXBCEBT-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@]1(F)CC[N@@H+](CCCCF)C1 308008734 572395347 /nfs/dbraw/zinc/39/53/47/572395347.db2.gz FFWAISSWSKGBDC-SECBINFHSA-N 1 1 177.238 2.170 10 0 AEAEMO CC[C@@H](C)N[C@H](C[NH3+])c1cccs1 83760265 572395678 /nfs/dbraw/zinc/39/56/78/572395678.db2.gz DMDMVPBSFZNTPI-RKDXNWHRSA-N 1 1 198.335 2.136 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@@H]1CCCC[C@@H]1O 69000413 572395901 /nfs/dbraw/zinc/39/59/01/572395901.db2.gz UHIBNBLVGJTRSZ-MNOVXSKESA-N 1 1 199.338 2.410 10 0 AEAEMO C[C@]1(F)CC[N@@H+](CCCCF)C1 308008736 572395929 /nfs/dbraw/zinc/39/59/29/572395929.db2.gz FFWAISSWSKGBDC-VIFPVBQESA-N 1 1 177.238 2.170 10 0 AEAEMO CCC(CC)[N@H+]1CCCC[C@@H]1CO 87171730 572396382 /nfs/dbraw/zinc/39/63/82/572396382.db2.gz FHMSYOKRBGSVCV-LLVKDONJSA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@@H](C)N[C@@H](C[NH3+])c1ccccc1 83760586 572396562 /nfs/dbraw/zinc/39/65/62/572396562.db2.gz GUNSSNPPTYGNET-PWSUYJOCSA-N 1 1 192.306 2.075 10 0 AEAEMO CCC(CC)[C@@H]([NH3+])C(C)(C)N(C)C 87170998 572396770 /nfs/dbraw/zinc/39/67/70/572396770.db2.gz PSNFPDFRFWDMJY-SNVBAGLBSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C)N[C@@H](C[NH3+])c1cccs1 83760263 572396999 /nfs/dbraw/zinc/39/69/99/572396999.db2.gz DMDMVPBSFZNTPI-IUCAKERBSA-N 1 1 198.335 2.136 10 0 AEAEMO CCC(CC)[C@H]([NH3+])C(C)(C)N(C)C 87170997 572397330 /nfs/dbraw/zinc/39/73/30/572397330.db2.gz PSNFPDFRFWDMJY-JTQLQIEISA-N 1 1 186.343 2.090 10 0 AEAEMO CCC(CC)[N@H+]1CCC[C@H]1CCCO 87171746 572398482 /nfs/dbraw/zinc/39/84/82/572398482.db2.gz CDZAYANGVAFQFH-LBPRGKRZSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC(CC)[N@@H+](CC)CC(C)(C)O 87171771 572398528 /nfs/dbraw/zinc/39/85/28/572398528.db2.gz ZXUMQZNLWJGNMF-UHFFFAOYSA-N 1 1 187.327 2.268 10 0 AEAEMO C1C[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CS1 687826060 572398795 /nfs/dbraw/zinc/39/87/95/572398795.db2.gz IOCJHFCTJXQYLZ-MXWKQRLJSA-N 1 1 197.347 2.429 10 0 AEAEMO CC[C@H](C)N[C@@H](C[NH3+])c1ccsc1 83761300 572398914 /nfs/dbraw/zinc/39/89/14/572398914.db2.gz UMNRDMUKWXBOJU-WPRPVWTQSA-N 1 1 198.335 2.136 10 0 AEAEMO CC[C@H](C)N[C@H](C[NH3+])c1ccsc1 83761304 572399031 /nfs/dbraw/zinc/39/90/31/572399031.db2.gz UMNRDMUKWXBOJU-WCBMZHEXSA-N 1 1 198.335 2.136 10 0 AEAEMO CCC(CC)[N@H+]1CCC[C@@H](CCO)C1 87171743 572399897 /nfs/dbraw/zinc/39/98/97/572399897.db2.gz IBPAUINUXUTGBL-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CCC(CC)[N@H+]1CCC[C@H](CCO)C1 87171741 572400143 /nfs/dbraw/zinc/40/01/43/572400143.db2.gz IBPAUINUXUTGBL-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC(CC)[N@H+]1CCCC[C@@H]1CCO 87171735 572400411 /nfs/dbraw/zinc/40/04/11/572400411.db2.gz ZPIJDECMEAOQQI-GFCCVEGCSA-N 1 1 199.338 2.412 10 0 AEAEMO C1C[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CS1 687826061 572400481 /nfs/dbraw/zinc/40/04/81/572400481.db2.gz IOCJHFCTJXQYLZ-OUAUKWLOSA-N 1 1 197.347 2.429 10 0 AEAEMO CCC(CC)[N@H+]1CCCC[C@H]1CO 87171732 572400957 /nfs/dbraw/zinc/40/09/57/572400957.db2.gz FHMSYOKRBGSVCV-NSHDSACASA-N 1 1 185.311 2.022 10 0 AEAEMO CCC(CC)[N@H+]1CCCC[C@H]1CCO 87171737 572401168 /nfs/dbraw/zinc/40/11/68/572401168.db2.gz ZPIJDECMEAOQQI-LBPRGKRZSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC(CC)[N@H+]1CCC[C@@H]1CCCO 87171744 572401273 /nfs/dbraw/zinc/40/12/73/572401273.db2.gz CDZAYANGVAFQFH-GFCCVEGCSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC(CC)[N@@H+](CCCO)C(C)C 87171738 572401347 /nfs/dbraw/zinc/40/13/47/572401347.db2.gz LUXZEMGZXFUQSS-UHFFFAOYSA-N 1 1 187.327 2.268 10 0 AEAEMO CC[C@@H](C)N[C@H](C[NH3+])c1ccsc1 83761302 572402963 /nfs/dbraw/zinc/40/29/63/572402963.db2.gz UMNRDMUKWXBOJU-PSASIEDQSA-N 1 1 198.335 2.136 10 0 AEAEMO CC[C@@H](C)N[C@@H](C[NH3+])c1ccsc1 83761298 572403554 /nfs/dbraw/zinc/40/35/54/572403554.db2.gz UMNRDMUKWXBOJU-SCZZXKLOSA-N 1 1 198.335 2.136 10 0 AEAEMO CC[C@@](C)(CN)C[N@H+]1CCC(C)(C)C1 87258617 572408490 /nfs/dbraw/zinc/40/84/90/572408490.db2.gz DUKGIQUVQVIGJV-LBPRGKRZSA-N 1 1 198.354 2.093 10 0 AEAEMO CCC[C@@H]1N[C@H](C)[C@@H](CCC)[NH2+][C@@H]1C 238233987 572405337 /nfs/dbraw/zinc/40/53/37/572405337.db2.gz FSOKZOVNJAPRFM-KKOKHZNYSA-N 1 1 198.354 2.294 10 0 AEAEMO C[C@@H](O)CCCC[N@H+]1CCC(C)(C)C1 87257897 572410916 /nfs/dbraw/zinc/41/09/16/572410916.db2.gz ZCTJBDFAGVMXDN-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@H](N)C[N@H+]1CCC(CC)(CC)C1 87252437 572407806 /nfs/dbraw/zinc/40/78/06/572407806.db2.gz XFBQIJDDQXQALM-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H]([NH3+])CN1CCC(CC)(CC)C1 87252437 572407811 /nfs/dbraw/zinc/40/78/11/572407811.db2.gz XFBQIJDDQXQALM-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(=O)CCC[N@H+]1CCC(C)(C)C1 87256849 572407902 /nfs/dbraw/zinc/40/79/02/572407902.db2.gz MSHWGYUUGOOHKW-UHFFFAOYSA-N 1 1 183.295 2.088 10 0 AEAEMO CCC1(CC)CC[N@H+](C[C@@H](C)NC)C1 87252511 572407994 /nfs/dbraw/zinc/40/79/94/572407994.db2.gz HGKWLIVEPHLGDP-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC1(CC)CC[N@@H+](C[C@@H](C)NC)C1 87252511 572408000 /nfs/dbraw/zinc/40/80/00/572408000.db2.gz HGKWLIVEPHLGDP-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](C)[C@H](CN)[N@H+]1CCC(C)(C)C1 87251304 572408216 /nfs/dbraw/zinc/40/82/16/572408216.db2.gz SNBCTZIOJNNNOX-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[C@@H](CN)[N@H+]1CCC(C)(C)C1 87251275 572408294 /nfs/dbraw/zinc/40/82/94/572408294.db2.gz XXKQZZRHCYYLKW-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[C@@H](C[NH3+])N1CCC(C)(C)C1 87251275 572408297 /nfs/dbraw/zinc/40/82/97/572408297.db2.gz XXKQZZRHCYYLKW-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H](C)[C@@H](N)C[N@@H+]1CCC(C)(C)C1 87255183 572408345 /nfs/dbraw/zinc/40/83/45/572408345.db2.gz HELZYYMQZIMWAT-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](C)[C@@H](N)C[N@H+]1CCC(C)(C)C1 87255183 572408346 /nfs/dbraw/zinc/40/83/46/572408346.db2.gz HELZYYMQZIMWAT-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](C)[C@@H]([NH3+])CN1CCC(C)(C)C1 87255183 572408352 /nfs/dbraw/zinc/40/83/52/572408352.db2.gz HELZYYMQZIMWAT-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](C)[C@@H](CN)[N@H+]1CCC(C)(C)C1 87251300 572408415 /nfs/dbraw/zinc/40/84/15/572408415.db2.gz SNBCTZIOJNNNOX-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@](C)(CN)C[N@@H+]1CCC(C)(C)C1 87258617 572408486 /nfs/dbraw/zinc/40/84/86/572408486.db2.gz DUKGIQUVQVIGJV-LBPRGKRZSA-N 1 1 198.354 2.093 10 0 AEAEMO CCCC[C@H]([NH3+])CN1CCC(C)(C)C1 87255229 572408499 /nfs/dbraw/zinc/40/84/99/572408499.db2.gz FQMXZXRTBICZBL-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[C@H](N)C[N@@H+]1CCC(C)(C)C1 87255229 572408504 /nfs/dbraw/zinc/40/85/04/572408504.db2.gz FQMXZXRTBICZBL-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[C@H](N)C[N@H+]1CCC(C)(C)C1 87255229 572408506 /nfs/dbraw/zinc/40/85/06/572408506.db2.gz FQMXZXRTBICZBL-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H](C)[C@H](N)C[N@@H+]1CCC(C)(C)C1 87255182 572408620 /nfs/dbraw/zinc/40/86/20/572408620.db2.gz HELZYYMQZIMWAT-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)[C@H](N)C[N@H+]1CCC(C)(C)C1 87255182 572408625 /nfs/dbraw/zinc/40/86/25/572408625.db2.gz HELZYYMQZIMWAT-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)[C@H]([NH3+])CN1CCC(C)(C)C1 87255182 572408626 /nfs/dbraw/zinc/40/86/26/572408626.db2.gz HELZYYMQZIMWAT-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(N)(CC)C[N@H+]1CCC(C)(C)C1 87255113 572408670 /nfs/dbraw/zinc/40/86/70/572408670.db2.gz CRTOTTFLJQHRBJ-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC([NH3+])(CC)CN1CCC(C)(C)C1 87255113 572408673 /nfs/dbraw/zinc/40/86/73/572408673.db2.gz CRTOTTFLJQHRBJ-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC(=O)C[N@H+]1CCC(CC)(CC)C1 87256916 572408704 /nfs/dbraw/zinc/40/87/04/572408704.db2.gz UQNOTUHUPIPOPM-UHFFFAOYSA-N 1 1 197.322 2.478 10 0 AEAEMO CCC[C@](C)(N)C[N@@H+]1CCC(C)(C)C1 87255123 572408742 /nfs/dbraw/zinc/40/87/42/572408742.db2.gz ODJPVXNIDUPQCP-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@](C)(N)C[N@H+]1CCC(C)(C)C1 87255123 572408746 /nfs/dbraw/zinc/40/87/46/572408746.db2.gz ODJPVXNIDUPQCP-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[C@@H]1[C@@H](O)CCC[N@H+]1CC 238795661 572408823 /nfs/dbraw/zinc/40/88/23/572408823.db2.gz MUQUXUWGAGPPKW-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@H](C)[C@@H](CN)[N@H+]1CCC(C)(C)C1 87251302 572408902 /nfs/dbraw/zinc/40/89/02/572408902.db2.gz SNBCTZIOJNNNOX-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC1(CC)CC[N@H+]([C@H](C)[C@@H](C)N)C1 87252494 572409010 /nfs/dbraw/zinc/40/90/10/572409010.db2.gz YGOOEEDVQYSXSG-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC1(CC)CCN([C@H](C)[C@@H](C)[NH3+])C1 87252494 572409013 /nfs/dbraw/zinc/40/90/13/572409013.db2.gz YGOOEEDVQYSXSG-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@](C)(N)C[N@@H+]1CCC(C)(C)C1 87255124 572409150 /nfs/dbraw/zinc/40/91/50/572409150.db2.gz ODJPVXNIDUPQCP-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@](C)(N)C[N@H+]1CCC(C)(C)C1 87255124 572409157 /nfs/dbraw/zinc/40/91/57/572409157.db2.gz ODJPVXNIDUPQCP-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@H](O)CCCC[N@H+]1CCC(C)(C)C1 87257895 572409234 /nfs/dbraw/zinc/40/92/34/572409234.db2.gz ZCTJBDFAGVMXDN-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CCCC[C@@H]([NH3+])CN1CCC(C)(C)C1 87255230 572409325 /nfs/dbraw/zinc/40/93/25/572409325.db2.gz FQMXZXRTBICZBL-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[C@@H](N)C[N@@H+]1CCC(C)(C)C1 87255230 572409327 /nfs/dbraw/zinc/40/93/27/572409327.db2.gz FQMXZXRTBICZBL-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[C@@H](N)C[N@H+]1CCC(C)(C)C1 87255230 572409330 /nfs/dbraw/zinc/40/93/30/572409330.db2.gz FQMXZXRTBICZBL-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@](C)(CN)[N@H+]1CCC(C)(C)C1 87251296 572409379 /nfs/dbraw/zinc/40/93/79/572409379.db2.gz ZNPLCBBQTJJKII-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC1(CC)CC[N@H+]([C@H](C)C(C)=O)C1 87256929 572409493 /nfs/dbraw/zinc/40/94/93/572409493.db2.gz ZWIPWDJXISCGHG-SNVBAGLBSA-N 1 1 197.322 2.476 10 0 AEAEMO CCCC[C@@H]1[C@H](O)CCC[N@H+]1CC 238795688 572409618 /nfs/dbraw/zinc/40/96/18/572409618.db2.gz MUQUXUWGAGPPKW-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC(CC)(CN)[N@H+]1CCC(C)(C)C1 87251324 572409662 /nfs/dbraw/zinc/40/96/62/572409662.db2.gz VCKPMNPZZJLDRT-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@](C)(CN)[N@H+]1CCC(C)(C)C1 87251298 572409741 /nfs/dbraw/zinc/40/97/41/572409741.db2.gz ZNPLCBBQTJJKII-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H](C)[C@H](CN)[N@H+]1CCC(C)(C)C1 87251305 572409821 /nfs/dbraw/zinc/40/98/21/572409821.db2.gz SNBCTZIOJNNNOX-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(=O)CCCC[N@H+]1CCC(C)(C)C1 87256905 572409932 /nfs/dbraw/zinc/40/99/32/572409932.db2.gz NSYXFPNNIYDAOM-UHFFFAOYSA-N 1 1 197.322 2.478 10 0 AEAEMO CC[C@H](N)C[N@H+]1CCC(CC)(CC)C1 87252435 572410033 /nfs/dbraw/zinc/41/00/33/572410033.db2.gz XFBQIJDDQXQALM-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H]([NH3+])CN1CCC(CC)(CC)C1 87252435 572410036 /nfs/dbraw/zinc/41/00/36/572410036.db2.gz XFBQIJDDQXQALM-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H](C)[C@@H](N)C[N@@H+]1CCC(C)(C)C1 87255185 572410110 /nfs/dbraw/zinc/41/01/10/572410110.db2.gz HELZYYMQZIMWAT-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)[C@@H](N)C[N@H+]1CCC(C)(C)C1 87255185 572410114 /nfs/dbraw/zinc/41/01/14/572410114.db2.gz HELZYYMQZIMWAT-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)[C@@H]([NH3+])CN1CCC(C)(C)C1 87255185 572410120 /nfs/dbraw/zinc/41/01/20/572410120.db2.gz HELZYYMQZIMWAT-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC1(CC)CC[N@H+](C[C@H](C)NC)C1 87252513 572410352 /nfs/dbraw/zinc/41/03/52/572410352.db2.gz HGKWLIVEPHLGDP-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCC1(CC)CC[N@@H+](C[C@H](C)NC)C1 87252513 572410355 /nfs/dbraw/zinc/41/03/55/572410355.db2.gz HGKWLIVEPHLGDP-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[C@@H]1OC(N)=[NH+][C@@H]1CCCC 238795520 572410371 /nfs/dbraw/zinc/41/03/71/572410371.db2.gz KISOSYIGFRDEGD-ZJUUUORDSA-N 1 1 198.310 2.449 10 0 AEAEMO CC[C@](C)(CN)C[N@@H+]1CCC(C)(C)C1 87258618 572410501 /nfs/dbraw/zinc/41/05/01/572410501.db2.gz DUKGIQUVQVIGJV-GFCCVEGCSA-N 1 1 198.354 2.093 10 0 AEAEMO CC[C@](C)(CN)C[N@H+]1CCC(C)(C)C1 87258618 572410505 /nfs/dbraw/zinc/41/05/05/572410505.db2.gz DUKGIQUVQVIGJV-GFCCVEGCSA-N 1 1 198.354 2.093 10 0 AEAEMO CCC1(CC)CC[N@H+]([C@@H](C)C(C)=O)C1 87256927 572410596 /nfs/dbraw/zinc/41/05/96/572410596.db2.gz ZWIPWDJXISCGHG-JTQLQIEISA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@@H](C)[C@H](N)C[N@@H+]1CCC(C)(C)C1 87255180 572410610 /nfs/dbraw/zinc/41/06/10/572410610.db2.gz HELZYYMQZIMWAT-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](C)[C@H](N)C[N@H+]1CCC(C)(C)C1 87255180 572410614 /nfs/dbraw/zinc/41/06/14/572410614.db2.gz HELZYYMQZIMWAT-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](C)[C@H]([NH3+])CN1CCC(C)(C)C1 87255180 572410616 /nfs/dbraw/zinc/41/06/16/572410616.db2.gz HELZYYMQZIMWAT-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[C@@H]1[NH+]=C(N)O[C@H]1CCCC 238795521 572410630 /nfs/dbraw/zinc/41/06/30/572410630.db2.gz KISOSYIGFRDEGD-UWVGGRQHSA-N 1 1 198.310 2.449 10 0 AEAEMO CC(C)C[C@H](CN)[N@H+]1CCC(C)(C)C1 87251427 572410746 /nfs/dbraw/zinc/41/07/46/572410746.db2.gz RJTSZJFKYGIYQO-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1CC(C)(C)[N@H+]1CC[C@@H]1CCOC1 687823842 572411119 /nfs/dbraw/zinc/41/11/19/572411119.db2.gz AKAIPIFMVVKRAP-GHMZBOCLSA-N 1 1 197.322 2.286 10 0 AEAEMO CCCC(=O)C[N@H+]1CCC(C)(C)C1 87256878 572411408 /nfs/dbraw/zinc/41/14/08/572411408.db2.gz SEGGSALITSFDRZ-UHFFFAOYSA-N 1 1 183.295 2.088 10 0 AEAEMO CCCC[C@H](CN)[N@H+]1CCC(C)(C)C1 87251277 572411587 /nfs/dbraw/zinc/41/15/87/572411587.db2.gz XXKQZZRHCYYLKW-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[C@H](C[NH3+])N1CCC(C)(C)C1 87251277 572411592 /nfs/dbraw/zinc/41/15/92/572411592.db2.gz XXKQZZRHCYYLKW-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC1(CC)CC[N@H+]([C@@H](C)[C@@H](C)N)C1 87252492 572411640 /nfs/dbraw/zinc/41/16/40/572411640.db2.gz YGOOEEDVQYSXSG-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO CCC1(CC)CCN([C@@H](C)[C@@H](C)[NH3+])C1 87252492 572411642 /nfs/dbraw/zinc/41/16/42/572411642.db2.gz YGOOEEDVQYSXSG-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]1CC(C)(C)[N@H+]1CC[C@H]1CCOC1 687823844 572411668 /nfs/dbraw/zinc/41/16/68/572411668.db2.gz AKAIPIFMVVKRAP-QWRGUYRKSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H]1CC(C)(C)[N@H+]1CC[C@H]1CCOC1 687823843 572411687 /nfs/dbraw/zinc/41/16/87/572411687.db2.gz AKAIPIFMVVKRAP-MNOVXSKESA-N 1 1 197.322 2.286 10 0 AEAEMO CCC1(CC)CC[N@H+](C(C)(C)CN)C1 87251490 572412025 /nfs/dbraw/zinc/41/20/25/572412025.db2.gz CUPYJSJXKMVOQA-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@H]1CC(C)(C)[N@H+]1CC[C@@H]1CCOC1 687823845 572412829 /nfs/dbraw/zinc/41/28/29/572412829.db2.gz AKAIPIFMVVKRAP-WDEREUQCSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@](C)(CO)C[N@H+]1CCC(C)(C)C1 87258726 572412742 /nfs/dbraw/zinc/41/27/42/572412742.db2.gz QNJVWEUNGIMKNC-LBPRGKRZSA-N 1 1 199.338 2.127 10 0 AEAEMO CC[C@@](C)(CO)C[N@H+]1CCC(C)(C)C1 87258727 572413773 /nfs/dbraw/zinc/41/37/73/572413773.db2.gz QNJVWEUNGIMKNC-GFCCVEGCSA-N 1 1 199.338 2.127 10 0 AEAEMO CCC[NH2+]Cc1c[nH]c([C@@H]2C[C@@H]2C)n1 83810696 572414806 /nfs/dbraw/zinc/41/48/06/572414806.db2.gz PASUOWOXJCISKV-WCBMZHEXSA-N 1 1 193.294 2.033 10 0 AEAEMO CC(C)[NH2+]Cc1c[nH]c([C@H]2C[C@@H]2C)n1 83810701 572415123 /nfs/dbraw/zinc/41/51/23/572415123.db2.gz QNRRGLPLZHNNPN-WPRPVWTQSA-N 1 1 193.294 2.031 10 0 AEAEMO CCCC[N@@H+](CCN)CCC(C)C 44415440 572415845 /nfs/dbraw/zinc/41/58/45/572415845.db2.gz VPKZEHIUCKUVTN-UHFFFAOYSA-N 1 1 186.343 2.093 10 0 AEAEMO CCCCN(CC[NH3+])CCC(C)C 44415440 572415848 /nfs/dbraw/zinc/41/58/48/572415848.db2.gz VPKZEHIUCKUVTN-UHFFFAOYSA-N 1 1 186.343 2.093 10 0 AEAEMO CC(C)[NH2+]Cc1c[nH]c([C@@H]2C[C@H]2C)n1 83810702 572415926 /nfs/dbraw/zinc/41/59/26/572415926.db2.gz QNRRGLPLZHNNPN-PSASIEDQSA-N 1 1 193.294 2.031 10 0 AEAEMO CCC[NH2+]Cc1c[nH]c([C@H]2C[C@H]2C)n1 83810699 572415949 /nfs/dbraw/zinc/41/59/49/572415949.db2.gz PASUOWOXJCISKV-SCZZXKLOSA-N 1 1 193.294 2.033 10 0 AEAEMO CC[N@H+]1CCCC[C@@H]1CC[C@H](C)O 250329618 572416140 /nfs/dbraw/zinc/41/61/40/572416140.db2.gz OIDXQNDXWSIMPR-WDEREUQCSA-N 1 1 185.311 2.022 10 0 AEAEMO CCCC[C@@H]1CC[N@H+]([C@@H](CC)CO)C1 238794957 572417780 /nfs/dbraw/zinc/41/77/80/572417780.db2.gz UQYONRLARMKSHA-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[N@H+]1CCCC[C@H]1CC[C@H](C)O 250329615 572417839 /nfs/dbraw/zinc/41/78/39/572417839.db2.gz OIDXQNDXWSIMPR-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC(CC)[N@@H+](CCN)CC1CCC1 83842128 572417851 /nfs/dbraw/zinc/41/78/51/572417851.db2.gz WVHHEFHMEHYDDI-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC(CC)[N@@H+](CCO)CC1CCC1 83841927 572418037 /nfs/dbraw/zinc/41/80/37/572418037.db2.gz XDNUHUWCCLBMGN-UHFFFAOYSA-N 1 1 199.338 2.269 10 0 AEAEMO C/C=C/c1nnc([C@@H]([NH3+])[C@H](C)CC)o1 238797992 572419442 /nfs/dbraw/zinc/41/94/42/572419442.db2.gz BDXJONAITZNBMQ-VZHGHLCVSA-N 1 1 195.266 2.149 10 0 AEAEMO CCCC[C@H](C)C[N@H+]1CCNC[C@@H]1C 238796782 572419583 /nfs/dbraw/zinc/41/95/83/572419583.db2.gz LEHAIABIMKHLKO-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[C@H](C)CN1CC[NH2+]C[C@@H]1C 238796782 572419586 /nfs/dbraw/zinc/41/95/86/572419586.db2.gz LEHAIABIMKHLKO-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[C@H](CC)C[N@@H+]1CCCNC1 238797433 572420714 /nfs/dbraw/zinc/42/07/14/572420714.db2.gz BBTFZBBENIZTNE-LBPRGKRZSA-N 1 1 198.354 2.456 10 0 AEAEMO CCCC[C@H](CC)C[N@H+]1CCCNC1 238797433 572420717 /nfs/dbraw/zinc/42/07/17/572420717.db2.gz BBTFZBBENIZTNE-LBPRGKRZSA-N 1 1 198.354 2.456 10 0 AEAEMO CC[C@@H](C)[C@H]([NH3+])c1nnc(C(C)C)o1 238797979 572421000 /nfs/dbraw/zinc/42/10/00/572421000.db2.gz XGURJMRENGFDOB-SFYZADRCSA-N 1 1 197.282 2.239 10 0 AEAEMO CCCC[C@H](C)C[N@H+]1CCCNCC1 238796779 572421674 /nfs/dbraw/zinc/42/16/74/572421674.db2.gz BIXMKMDMSSQSIR-LBPRGKRZSA-N 1 1 198.354 2.108 10 0 AEAEMO CCCC[C@H](C)CN1CCC[NH2+]CC1 238796779 572421678 /nfs/dbraw/zinc/42/16/78/572421678.db2.gz BIXMKMDMSSQSIR-LBPRGKRZSA-N 1 1 198.354 2.108 10 0 AEAEMO CCC[C@@H]1C[N@@H+](CCC(C)C)CCN1 68692449 572423671 /nfs/dbraw/zinc/42/36/71/572423671.db2.gz OOHHUYPLRZPPAZ-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H]1CN(CCC(C)C)CC[NH2+]1 68692449 572423673 /nfs/dbraw/zinc/42/36/73/572423673.db2.gz OOHHUYPLRZPPAZ-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)NC1=C(C[NH+](C)C)CCCC1 196630389 572424404 /nfs/dbraw/zinc/42/44/04/572424404.db2.gz VXBDXYVQKURVFX-UHFFFAOYSA-N 1 1 196.338 2.374 10 0 AEAEMO Cn1c[nH+]c2cc(NC3CC3)ccc21 76632529 572425126 /nfs/dbraw/zinc/42/51/26/572425126.db2.gz ZTCYPCIDQLTFBV-UHFFFAOYSA-N 1 1 187.246 2.148 10 0 AEAEMO CC(C)NC1=CCCC[C@@H]1C[NH+](C)C 196630366 572425992 /nfs/dbraw/zinc/42/59/92/572425992.db2.gz ULSSRDOWMCHSFT-LLVKDONJSA-N 1 1 196.338 2.230 10 0 AEAEMO CC(C)[NH2+]C1=CCCC[C@@H]1CN(C)C 196630366 572425996 /nfs/dbraw/zinc/42/59/96/572425996.db2.gz ULSSRDOWMCHSFT-LLVKDONJSA-N 1 1 196.338 2.230 10 0 AEAEMO CCCC[C@@H](CC)[N@H+]1CCN[C@H](C)C1 83813952 572426203 /nfs/dbraw/zinc/42/62/03/572426203.db2.gz BBGYEVYUNCJKHX-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)NC1=CCCC[C@H]1C[NH+](C)C 196630375 572426521 /nfs/dbraw/zinc/42/65/21/572426521.db2.gz ULSSRDOWMCHSFT-NSHDSACASA-N 1 1 196.338 2.230 10 0 AEAEMO CC(C)[NH2+]C1=CCCC[C@H]1CN(C)C 196630375 572426525 /nfs/dbraw/zinc/42/65/25/572426525.db2.gz ULSSRDOWMCHSFT-NSHDSACASA-N 1 1 196.338 2.230 10 0 AEAEMO CCCC(CCC)[N@H+]1CCN[C@@H](C)C1 83814019 572427034 /nfs/dbraw/zinc/42/70/34/572427034.db2.gz MYHQLBZKWQPFDW-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](F)C[N@@H+](C)[C@H](C)CSC 308019804 572427049 /nfs/dbraw/zinc/42/70/49/572427049.db2.gz TYISASXVGQJSPH-RKDXNWHRSA-N 1 1 193.331 2.418 10 0 AEAEMO CCCC(CCC)[N@H+]1CCN[C@H](C)C1 83814018 572427169 /nfs/dbraw/zinc/42/71/69/572427169.db2.gz MYHQLBZKWQPFDW-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@H](CC)[N@H+]1CCN[C@H](C)C1 83813953 572427617 /nfs/dbraw/zinc/42/76/17/572427617.db2.gz BBGYEVYUNCJKHX-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](F)C[N@@H+](C)[C@@H](C)CSC 308019803 572428373 /nfs/dbraw/zinc/42/83/73/572428373.db2.gz TYISASXVGQJSPH-IUCAKERBSA-N 1 1 193.331 2.418 10 0 AEAEMO CCC[C@@H]1C[N@@H+](CCC)[C@H](CC)CN1 68700145 572428608 /nfs/dbraw/zinc/42/86/08/572428608.db2.gz WLTVDPORPYLXDM-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]1CN(CCC)[C@H](CC)C[NH2+]1 68700145 572428614 /nfs/dbraw/zinc/42/86/14/572428614.db2.gz WLTVDPORPYLXDM-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@@H]([NH3+])C1(N(C)C)CCCC1 83825382 572428621 /nfs/dbraw/zinc/42/86/21/572428621.db2.gz ZQNLRGWSNNLNTM-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@H](F)C[N@@H+](C)[C@H](C)CSC 308019800 572428984 /nfs/dbraw/zinc/42/89/84/572428984.db2.gz TYISASXVGQJSPH-BDAKNGLRSA-N 1 1 193.331 2.418 10 0 AEAEMO CCC[N@@H+](CC1CCC1)C(C)(C)CN 83838138 572433978 /nfs/dbraw/zinc/43/39/78/572433978.db2.gz JDBHCRPLKOPVAR-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H](F)C[N@@H+](C)[C@@H](C)CSC 308019801 572429799 /nfs/dbraw/zinc/42/97/99/572429799.db2.gz TYISASXVGQJSPH-DTWKUNHWSA-N 1 1 193.331 2.418 10 0 AEAEMO CCCC[C@H]([NH3+])C1(N(C)C)CCCC1 83825379 572430915 /nfs/dbraw/zinc/43/09/15/572430915.db2.gz ZQNLRGWSNNLNTM-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[NH2+][C@H](C(F)F)C(C)(C)OC 308022854 572431147 /nfs/dbraw/zinc/43/11/47/572431147.db2.gz RDSLLFGJQZKDPX-SSDOTTSWSA-N 1 1 195.253 2.045 10 0 AEAEMO CC[N@@H+](C(C)C)[C@](C)(CN)C1(C)CC1 87363598 572431335 /nfs/dbraw/zinc/43/13/35/572431335.db2.gz HUSGOEVBKMQIBS-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](C(C)C)[C@@](C)(CN)C1(C)CC1 87363596 572431415 /nfs/dbraw/zinc/43/14/15/572431415.db2.gz HUSGOEVBKMQIBS-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[NH2+][C@@H](C(F)F)C(C)(C)OC 308022856 572431700 /nfs/dbraw/zinc/43/17/00/572431700.db2.gz RDSLLFGJQZKDPX-ZETCQYMHSA-N 1 1 195.253 2.045 10 0 AEAEMO CCC[N@@H+](CC)[C@](C)(CN)C1(C)CC1 87363610 572432484 /nfs/dbraw/zinc/43/24/84/572432484.db2.gz UDTTZWNRVNWPLG-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[N@@H+](C)[C@H](C)[C@@H](O)C1CCCCC1 238239461 572432532 /nfs/dbraw/zinc/43/25/32/572432532.db2.gz DHHILOAUHQVPNH-ZYHUDNBSSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)C[N@@H+](C)[C@](C)(CN)C1(C)CC1 87363628 572432684 /nfs/dbraw/zinc/43/26/84/572432684.db2.gz CUWQZMQQQAXQJQ-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@](C)(CN)C1(C)CC1 87363632 572432888 /nfs/dbraw/zinc/43/28/88/572432888.db2.gz GNWSHBXSRCROBF-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[N@@H+](C)[C@@](C)(CN)C1(C)CC1 87363626 572433209 /nfs/dbraw/zinc/43/32/09/572433209.db2.gz CUWQZMQQQAXQJQ-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)[C@@](C)(CN)C1(C)CC1 87363630 572433266 /nfs/dbraw/zinc/43/32/66/572433266.db2.gz GNWSHBXSRCROBF-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](CC1(N)CC1)C1CCCCC1 83836636 572433353 /nfs/dbraw/zinc/43/33/53/572433353.db2.gz MBQFOEDBFWXWLV-UHFFFAOYSA-N 1 1 196.338 2.132 10 0 AEAEMO CCCC[N@@H+](C)[C@](C)(CN)C1(C)CC1 87363553 572433368 /nfs/dbraw/zinc/43/33/68/572433368.db2.gz BTFOYMPIHHAFLH-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[N@@H+](CC1(N)CC1)[C@@H](C)CC 83837170 572433699 /nfs/dbraw/zinc/43/36/99/572433699.db2.gz VGLLWWQPHHNKKH-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO C[C@H]([N@H+](C)CC(C)(C)CN)C1(C)CC1 87365083 572433806 /nfs/dbraw/zinc/43/38/06/572433806.db2.gz LDOKMFFAFZLNQQ-JTQLQIEISA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)(C)CC(C)(C)[NH2+]CC1(N)CC1 83837242 572433807 /nfs/dbraw/zinc/43/38/07/572433807.db2.gz LVWCNXFDWAQBRZ-UHFFFAOYSA-N 1 1 198.354 2.282 10 0 AEAEMO C[C@H]([N@@H+](C)CC(C)(C)CN)C1(C)CC1 87365083 572433809 /nfs/dbraw/zinc/43/38/09/572433809.db2.gz LDOKMFFAFZLNQQ-JTQLQIEISA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[N@@H+](CC)[C@@](C)(CN)C1(C)CC1 87363608 572433879 /nfs/dbraw/zinc/43/38/79/572433879.db2.gz UDTTZWNRVNWPLG-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@@H]([N@H+](C)CC(C)(C)CN)C1(C)CC1 87365085 572433938 /nfs/dbraw/zinc/43/39/38/572433938.db2.gz LDOKMFFAFZLNQQ-SNVBAGLBSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]([N@@H+](C)CC(C)(C)CN)C1(C)CC1 87365085 572433943 /nfs/dbraw/zinc/43/39/43/572433943.db2.gz LDOKMFFAFZLNQQ-SNVBAGLBSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](CC1CCC1)[C@@](C)(CC)CN 83838139 572434332 /nfs/dbraw/zinc/43/43/32/572434332.db2.gz NWVBZPLXUKANQR-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO C/C=C/CCCCC[C@@H]([NH3+])C(=O)OC 238800109 572434618 /nfs/dbraw/zinc/43/46/18/572434618.db2.gz IRABFEXBKZJETR-HMDXOVGESA-N 1 1 199.294 2.013 10 0 AEAEMO CCC[C@H]1CCCC[N@H+]1CC(C)(C)O 214121978 572434848 /nfs/dbraw/zinc/43/48/48/572434848.db2.gz BHCPVFUULUITJU-NSHDSACASA-N 1 1 199.338 2.412 10 0 AEAEMO CCCC[N@@H+](CC1(N)CC1)[C@H](C)CC 83837173 572434983 /nfs/dbraw/zinc/43/49/83/572434983.db2.gz VGLLWWQPHHNKKH-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CC(C)c1cc(C[NH2+]C2CC2)no1 88383499 572435195 /nfs/dbraw/zinc/43/51/95/572435195.db2.gz GSDAGSGXWVZSOQ-UHFFFAOYSA-N 1 1 180.251 2.050 10 0 AEAEMO CCCCC[N@@H+](CC1(N)CC1)C(C)C 83837155 572435376 /nfs/dbraw/zinc/43/53/76/572435376.db2.gz IAVITOXQZFCBLV-UHFFFAOYSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC(CC)C[N@@H+](CC)CC1(N)CC1 83837067 572435562 /nfs/dbraw/zinc/43/55/62/572435562.db2.gz DWNMKTBZTOFRQP-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[N@@H+](C)[C@@H](C)[C@@H](O)C1CCCCC1 238239008 572436570 /nfs/dbraw/zinc/43/65/70/572436570.db2.gz DHHILOAUHQVPNH-CMPLNLGQSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@@H+](CC1CCC1)[C@](C)(CC)CN 83838141 572436572 /nfs/dbraw/zinc/43/65/72/572436572.db2.gz NWVBZPLXUKANQR-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)CC[C@@H](C[NH3+])N1CCCCC1 74236675 572436897 /nfs/dbraw/zinc/43/68/97/572436897.db2.gz LMVSXQOFZFIFOM-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@H]([NH3+])C1(N(C)C)CCC(C)(C)CC1 74236712 572436953 /nfs/dbraw/zinc/43/69/53/572436953.db2.gz ANBDRUMNSVHYSX-JTQLQIEISA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]([C@H]([NH3+])C(C)(C)C)N1CCCCC1 74236572 572437503 /nfs/dbraw/zinc/43/75/03/572437503.db2.gz HGHCUSCQTJSVEE-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@@H](C(C)C)[N@H+]1CC[C@H](N)C1 74236551 572437684 /nfs/dbraw/zinc/43/76/84/572437684.db2.gz XQPRDCHEVQVLNV-RYUDHWBXSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@H](C(C)C)[N@H+]1CC[C@H](N)C1 74236552 572437740 /nfs/dbraw/zinc/43/77/40/572437740.db2.gz XQPRDCHEVQVLNV-NWDGAFQWSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@H]([NH3+])[C@@H](C)N1CCCCC1 74236637 572437786 /nfs/dbraw/zinc/43/77/86/572437786.db2.gz AEHLWLGVZSBUID-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@H](N)[C@@H](C)[NH+]1CCCCC1 74236637 572437789 /nfs/dbraw/zinc/43/77/89/572437789.db2.gz AEHLWLGVZSBUID-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]([NH3+])C1(N(C)C)CCC(C)(C)CC1 74236713 572437962 /nfs/dbraw/zinc/43/79/62/572437962.db2.gz ANBDRUMNSVHYSX-SNVBAGLBSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CC[C@H](C[NH3+])N1CCCCC1 74236677 572438214 /nfs/dbraw/zinc/43/82/14/572438214.db2.gz LMVSXQOFZFIFOM-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H]([NH3+])[C@@H](C)N1CCCCCC1 74236628 572438309 /nfs/dbraw/zinc/43/83/09/572438309.db2.gz QZFCMVPSIIHNES-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCN(CC)[C@H](C[NH3+])CC1CCCC1 74236667 572438353 /nfs/dbraw/zinc/43/83/53/572438353.db2.gz FUTMIKGFZOUHPM-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)N(C)C[C@H]([NH3+])CC1CCCC1 74236806 572438650 /nfs/dbraw/zinc/43/86/50/572438650.db2.gz QGUDTTQIXMLBOD-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[N@H+](C)C[C@H](N)CC1CCCC1 74236806 572438655 /nfs/dbraw/zinc/43/86/55/572438655.db2.gz QGUDTTQIXMLBOD-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[N@@H+](C)C[C@H](N)CC1CCCC1 74236806 572438659 /nfs/dbraw/zinc/43/86/59/572438659.db2.gz QGUDTTQIXMLBOD-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCN(CC)[C@@H](C[NH3+])CC1CCCC1 74236671 572439143 /nfs/dbraw/zinc/43/91/43/572439143.db2.gz FUTMIKGFZOUHPM-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)C[C@@H]([NH3+])[C@@H](C)N1CCCCC1 74236641 572439424 /nfs/dbraw/zinc/43/94/24/572439424.db2.gz AEHLWLGVZSBUID-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@@H](N)[C@@H](C)[NH+]1CCCCC1 74236641 572439426 /nfs/dbraw/zinc/43/94/26/572439426.db2.gz AEHLWLGVZSBUID-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCCC[N@H+]1CCC=C(CO)C1 238239903 572441220 /nfs/dbraw/zinc/44/12/20/572441220.db2.gz MNAFWXHINGUUKY-UHFFFAOYSA-N 1 1 197.322 2.191 10 0 AEAEMO CCC[C@@H]([NH3+])[C@@H](C)N1CCCCCC1 74236630 572439495 /nfs/dbraw/zinc/43/94/95/572439495.db2.gz QZFCMVPSIIHNES-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC(CC)C[NH2+]N1CCCCC1 214120784 572439660 /nfs/dbraw/zinc/43/96/60/572439660.db2.gz FAXDCZDOSWRFBP-UHFFFAOYSA-N 1 1 184.327 2.413 10 0 AEAEMO C[C@H]([C@H]([NH3+])C(C)(C)C)N1CCCCC1 74236576 572439876 /nfs/dbraw/zinc/43/98/76/572439876.db2.gz HGHCUSCQTJSVEE-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]([C@@H]([NH3+])C(C)(C)C)N1CCCCC1 74236582 572439969 /nfs/dbraw/zinc/43/99/69/572439969.db2.gz HGHCUSCQTJSVEE-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H]([NH3+])[C@H](C)N1CCCCCC1 74236632 572439992 /nfs/dbraw/zinc/43/99/92/572439992.db2.gz QZFCMVPSIIHNES-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO C[C@@H]([C@@H]([NH3+])C(C)(C)C)N1CCCCC1 74236579 572440003 /nfs/dbraw/zinc/44/00/03/572440003.db2.gz HGHCUSCQTJSVEE-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@@H]([NH3+])[C@H](C)N1CCCCC1 74236651 572440368 /nfs/dbraw/zinc/44/03/68/572440368.db2.gz AEHLWLGVZSBUID-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@@H](N)[C@H](C)[NH+]1CCCCC1 74236651 572440373 /nfs/dbraw/zinc/44/03/73/572440373.db2.gz AEHLWLGVZSBUID-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCCC[N@@H+]1CC=C(CO)CC1 238239881 572441185 /nfs/dbraw/zinc/44/11/85/572441185.db2.gz RQWRGZDNVRADJE-UHFFFAOYSA-N 1 1 197.322 2.191 10 0 AEAEMO NC1(C[NH2+]CCC2CC2)CCCCC1 83895458 572441928 /nfs/dbraw/zinc/44/19/28/572441928.db2.gz DBNULOAADDQZBM-UHFFFAOYSA-N 1 1 196.338 2.038 10 0 AEAEMO CCC[C@@H]1CCCC[N@H+]1CC(C)(C)O 214121922 572442186 /nfs/dbraw/zinc/44/21/86/572442186.db2.gz BHCPVFUULUITJU-LLVKDONJSA-N 1 1 199.338 2.412 10 0 AEAEMO Nc1c[nH]cc1-c1cc2c[nH+]ccc2[nH]1 76637496 572443360 /nfs/dbraw/zinc/44/33/60/572443360.db2.gz AYJWPKORPJQEOQ-UHFFFAOYSA-N 1 1 198.229 2.140 10 0 AEAEMO Nc1c[nH]c(-c2cc3c[nH+]ccc3[nH]2)c1 76637498 572443582 /nfs/dbraw/zinc/44/35/82/572443582.db2.gz GEFFZUYWPHGFMF-UHFFFAOYSA-N 1 1 198.229 2.140 10 0 AEAEMO CC[N@@H+](Cc1ccc[nH]1)C(C)C 308026738 572443570 /nfs/dbraw/zinc/44/35/70/572443570.db2.gz HLANFAFTRVMEFA-UHFFFAOYSA-N 1 1 166.268 2.245 10 0 AEAEMO C[N@@H+](CC1CC1)CC1(O)CCCCC1 88430314 572444158 /nfs/dbraw/zinc/44/41/58/572444158.db2.gz YOJRAOCVFWKPFV-UHFFFAOYSA-N 1 1 197.322 2.023 10 0 AEAEMO CC[N@@H+](CC1(O)CCCCC1)C1CC1 88430271 572444471 /nfs/dbraw/zinc/44/44/71/572444471.db2.gz HQOHACKXSIGOHV-UHFFFAOYSA-N 1 1 197.322 2.166 10 0 AEAEMO C[C@@H]([N@H+]1CCCC[C@@H]1CO)C(C)(C)C 74214416 572445336 /nfs/dbraw/zinc/44/53/36/572445336.db2.gz GDDWKVHZKQOCKN-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H]([N@H+]1CCCC[C@@H]1CO)C(C)(C)C 74214413 572445843 /nfs/dbraw/zinc/44/58/43/572445843.db2.gz GDDWKVHZKQOCKN-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H](C1CCC1)[N@H+]1CCCC[C@@H]1CO 74238801 572445803 /nfs/dbraw/zinc/44/58/03/572445803.db2.gz AVRAKEVBTQMGON-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H]([N@H+]1CCC[C@@H]1CO)C(C)(C)C 74214412 572446041 /nfs/dbraw/zinc/44/60/41/572446041.db2.gz LDEAHBLQGMMRPQ-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H](C)C[C@H](C)[N@@H+]1CCC(=O)C1 83865050 572448033 /nfs/dbraw/zinc/44/80/33/572448033.db2.gz SFKDFMDZYNPXRZ-ZJUUUORDSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@H]([N@H+]1CCC[C@@H]1CO)C(C)(C)C 74214411 572446273 /nfs/dbraw/zinc/44/62/73/572446273.db2.gz LDEAHBLQGMMRPQ-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H](C1CCC1)[N@H+]1CCCC[C@@H]1CO 74238798 572446337 /nfs/dbraw/zinc/44/63/37/572446337.db2.gz AVRAKEVBTQMGON-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H](C)C[C@@H](C)[N@H+]1CCC[C@H](N)C1 83866230 572448617 /nfs/dbraw/zinc/44/86/17/572448617.db2.gz XUIQOZNBQKGPRP-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]1CCC[N@@H+](CC(=O)C2CC2)[C@@H]1C 68896857 572446390 /nfs/dbraw/zinc/44/63/90/572446390.db2.gz QHEOQOKNFGXMJI-VHSXEESVSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@H](C)C[C@@H](C)N1CCC[C@H]([NH3+])C1 83866230 572448618 /nfs/dbraw/zinc/44/86/18/572448618.db2.gz XUIQOZNBQKGPRP-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H](N(C)C[C@H]([NH3+])C1CC1)C(C)(C)C 68896096 572446735 /nfs/dbraw/zinc/44/67/35/572446735.db2.gz FTMHGXNVCIUBTL-ONGXEEELSA-N 1 1 198.354 2.090 10 0 AEAEMO CCCCC[C@H]1C[C@H](CN(C)C)C[NH2+]1 238242690 572447031 /nfs/dbraw/zinc/44/70/31/572447031.db2.gz BJVAKHOBZPEQOS-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO C[C@H]1CCC[C@@H](C)[N@H+]1CC(=O)C1CC1 68894195 572447412 /nfs/dbraw/zinc/44/74/12/572447412.db2.gz SNQSMQIKUGNNKR-AOOOYVTPSA-N 1 1 195.306 2.228 10 0 AEAEMO CC[C@H](C)C[C@H](C)[N@@H+]1CCC(=O)C1 83865051 572449390 /nfs/dbraw/zinc/44/93/90/572449390.db2.gz SFKDFMDZYNPXRZ-UWVGGRQHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@H](C)C[C@H](C)[N@H+]1CCC(=O)C1 83865051 572449394 /nfs/dbraw/zinc/44/93/94/572449394.db2.gz SFKDFMDZYNPXRZ-UWVGGRQHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@H](C)C[C@@H](C)[N@@H+]1CCC(=O)C1 83865049 572447719 /nfs/dbraw/zinc/44/77/19/572447719.db2.gz SFKDFMDZYNPXRZ-VHSXEESVSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@H](C)C[C@@H](C)[N@H+]1CCC(=O)C1 83865049 572447720 /nfs/dbraw/zinc/44/77/20/572447720.db2.gz SFKDFMDZYNPXRZ-VHSXEESVSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@H](C)C[C@@H](C)[N@H+]1CCCNCC1 83865668 572447732 /nfs/dbraw/zinc/44/77/32/572447732.db2.gz BHJCESOHVPKZGO-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)C[C@@H](C)N1CCC[NH2+]CC1 83865668 572447733 /nfs/dbraw/zinc/44/77/33/572447733.db2.gz BHJCESOHVPKZGO-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](C)C[C@H](C)[N@H+]1CCC(=O)C1 83865050 572448039 /nfs/dbraw/zinc/44/80/39/572448039.db2.gz SFKDFMDZYNPXRZ-ZJUUUORDSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@H](C)C[C@H](C)[N@H+]1CCCNCC1 83865670 572448071 /nfs/dbraw/zinc/44/80/71/572448071.db2.gz BHJCESOHVPKZGO-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)C[C@H](C)N1CCC[NH2+]CC1 83865670 572448072 /nfs/dbraw/zinc/44/80/72/572448072.db2.gz BHJCESOHVPKZGO-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](C)C[C@H](C)[N@H+]1CCCNCC1 83865669 572448179 /nfs/dbraw/zinc/44/81/79/572448179.db2.gz BHJCESOHVPKZGO-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](C)C[C@H](C)N1CCC[NH2+]CC1 83865669 572448183 /nfs/dbraw/zinc/44/81/83/572448183.db2.gz BHJCESOHVPKZGO-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CNC(C)(C)C[N@@H+]1CCC[C@@H](C)[C@H]1C 61319823 572448331 /nfs/dbraw/zinc/44/83/31/572448331.db2.gz LQANLIHMUROFGN-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CNC(C)(C)C[N@H+]1CCC[C@@H](C)[C@H]1C 61319823 572448336 /nfs/dbraw/zinc/44/83/36/572448336.db2.gz LQANLIHMUROFGN-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)C[C@@H](C)[N@@H+]1CCC(=O)C1 83865048 572448390 /nfs/dbraw/zinc/44/83/90/572448390.db2.gz SFKDFMDZYNPXRZ-NXEZZACHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@@H](C)C[C@@H](C)[N@H+]1CCC(=O)C1 83865048 572448393 /nfs/dbraw/zinc/44/83/93/572448393.db2.gz SFKDFMDZYNPXRZ-NXEZZACHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@H](C)C[C@@H](C)[N@H+]1CC[C@H](CO)C1 83866190 572448460 /nfs/dbraw/zinc/44/84/60/572448460.db2.gz OBPQJARWKKUGCH-TUAOUCFPSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](C)C[C@H](C)[N@H+]1CCNC[C@@H]1C 83866378 572448553 /nfs/dbraw/zinc/44/85/53/572448553.db2.gz SDMNHFWGKIBAGF-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)C[C@H](C)N1CC[NH2+]C[C@@H]1C 83866378 572448556 /nfs/dbraw/zinc/44/85/56/572448556.db2.gz SDMNHFWGKIBAGF-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)C[C@H](C)[N@H+]1CC[C@H](CO)C1 83866194 572448766 /nfs/dbraw/zinc/44/87/66/572448766.db2.gz OBPQJARWKKUGCH-SRVKXCTJSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](C)C[C@H](C)[N@H+]1CCN[C@H](C)C1 83866348 572448900 /nfs/dbraw/zinc/44/89/00/572448900.db2.gz RYKGUENEOQJVQO-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)C[C@H](C)N1CC[NH2+][C@H](C)C1 83866348 572448906 /nfs/dbraw/zinc/44/89/06/572448906.db2.gz RYKGUENEOQJVQO-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCCCC[NH2+]CC(=O)SC 238241517 572448986 /nfs/dbraw/zinc/44/89/86/572448986.db2.gz NFWIXIJXFRHQFR-UHFFFAOYSA-N 1 1 189.324 2.046 10 0 AEAEMO CCCCC[C@H]1CCC[N@H+]1[C@@H](C)CO 238241353 572449035 /nfs/dbraw/zinc/44/90/35/572449035.db2.gz MGPKPLMEXKDSSH-RYUDHWBXSA-N 1 1 199.338 2.412 10 0 AEAEMO C[C@@H]1CCC[N@@H+](CC(=O)C2CC2)[C@@H]1C 68896853 572449059 /nfs/dbraw/zinc/44/90/59/572449059.db2.gz QHEOQOKNFGXMJI-NXEZZACHSA-N 1 1 195.306 2.086 10 0 AEAEMO C[N@H+](CC(=O)C1CC1)CC1CCCC1 68897532 572449273 /nfs/dbraw/zinc/44/92/73/572449273.db2.gz DCEOSWBSWPTJGS-UHFFFAOYSA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@@H]1c2ccccc2-c2[nH]c(C[NH3+])nc21 74215042 572449332 /nfs/dbraw/zinc/44/93/32/572449332.db2.gz HUFBQPUVSBOHQD-SSDOTTSWSA-N 1 1 199.257 2.001 10 0 AEAEMO CCCCC[N@@H+](CC)C(C)(C)CO 238241844 572449482 /nfs/dbraw/zinc/44/94/82/572449482.db2.gz KYWDPQYLOVKIKR-UHFFFAOYSA-N 1 1 187.327 2.269 10 0 AEAEMO CNC(C)(C)C[N@@H+]1CCC[C@H](C)[C@H]1C 61319824 572449558 /nfs/dbraw/zinc/44/95/58/572449558.db2.gz LQANLIHMUROFGN-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CNC(C)(C)C[N@H+]1CCC[C@H](C)[C@H]1C 61319824 572449561 /nfs/dbraw/zinc/44/95/61/572449561.db2.gz LQANLIHMUROFGN-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)C[C@H](C)[N@H+]1CCC[C@H](N)C1 83866234 572449609 /nfs/dbraw/zinc/44/96/09/572449609.db2.gz XUIQOZNBQKGPRP-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)C[C@H](C)N1CCC[C@H]([NH3+])C1 83866234 572449613 /nfs/dbraw/zinc/44/96/13/572449613.db2.gz XUIQOZNBQKGPRP-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)C[C@@H](C)[N@H+]1CCCNCC1 83865667 572449796 /nfs/dbraw/zinc/44/97/96/572449796.db2.gz BHJCESOHVPKZGO-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](C)C[C@@H](C)N1CCC[NH2+]CC1 83865667 572449800 /nfs/dbraw/zinc/44/98/00/572449800.db2.gz BHJCESOHVPKZGO-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCC[C@H]1C[C@@H](CN(C)C)C[NH2+]1 238242263 572450304 /nfs/dbraw/zinc/45/03/04/572450304.db2.gz BJVAKHOBZPEQOS-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)C[C@@H](C)[N@H+]1CCN[C@H](C)C1 83866344 572449928 /nfs/dbraw/zinc/44/99/28/572449928.db2.gz RYKGUENEOQJVQO-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)C[C@@H](C)N1CC[NH2+][C@H](C)C1 83866344 572449931 /nfs/dbraw/zinc/44/99/31/572449931.db2.gz RYKGUENEOQJVQO-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO OCC[N@@H+](CCC1CC1)C1CCCC1 83939898 572451369 /nfs/dbraw/zinc/45/13/69/572451369.db2.gz ZXFZLLIPHGMHIO-UHFFFAOYSA-N 1 1 197.322 2.023 10 0 AEAEMO CC[C@H](C)C[C@@H](C)[N@H+]1CCNC[C@@H]1C 83866374 572450125 /nfs/dbraw/zinc/45/01/25/572450125.db2.gz SDMNHFWGKIBAGF-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)C[C@@H](C)N1CC[NH2+]C[C@@H]1C 83866374 572450128 /nfs/dbraw/zinc/45/01/28/572450128.db2.gz SDMNHFWGKIBAGF-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[C@H]1CC[N@H+]([C@@H](CC)CO)C1 238243608 572450594 /nfs/dbraw/zinc/45/05/94/572450594.db2.gz UQYONRLARMKSHA-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO C[C@H]1C[NH2+]C[C@H](C)N1CCC(C)(C)C 68939096 572451863 /nfs/dbraw/zinc/45/18/63/572451863.db2.gz XNIMLNVXLDXURN-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(CC)[N@@H+](CCN)CCC1CC1 83940521 572452102 /nfs/dbraw/zinc/45/21/02/572452102.db2.gz IDPPFPQOGHRPTH-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)Cc1oc(C[NH3+])nc1C(C)C 74241276 572454491 /nfs/dbraw/zinc/45/44/91/572454491.db2.gz DKSKZYLYMUBUIY-UHFFFAOYSA-N 1 1 196.294 2.455 10 0 AEAEMO CCC(CC)[N@@H+](CCO)CCC1CC1 83939903 572452574 /nfs/dbraw/zinc/45/25/74/572452574.db2.gz XIFUYWGNDCWUEX-UHFFFAOYSA-N 1 1 199.338 2.269 10 0 AEAEMO CCCC[C@@H]1[NH+]=C(N)O[C@@H]1CCCC 238248384 572453954 /nfs/dbraw/zinc/45/39/54/572453954.db2.gz KISOSYIGFRDEGD-VHSXEESVSA-N 1 1 198.310 2.449 10 0 AEAEMO CCc1nc([C@H](C)[NH3+])oc1CC(C)C 74241270 572453993 /nfs/dbraw/zinc/45/39/93/572453993.db2.gz XCTZDAFGRHHTSR-QMMMGPOBSA-N 1 1 196.294 2.455 10 0 AEAEMO CCCC[C@H]1[NH+]=C(N)O[C@@H]1CCCC 238248370 572453996 /nfs/dbraw/zinc/45/39/96/572453996.db2.gz KISOSYIGFRDEGD-NXEZZACHSA-N 1 1 198.310 2.449 10 0 AEAEMO C[C@@H]1C[NH2+]C[C@@H](C)N1CCC(C)(C)C 68939099 572454794 /nfs/dbraw/zinc/45/47/94/572454794.db2.gz XNIMLNVXLDXURN-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(=O)[C@@H]1CCCC[N@H+]1CCC1CC1 83926742 572455231 /nfs/dbraw/zinc/45/52/31/572455231.db2.gz HETBERAIBJUYQO-LBPRGKRZSA-N 1 1 195.306 2.230 10 0 AEAEMO CCCC[C@H]1[C@H](O)CCC[N@H+]1CC 238250019 572455295 /nfs/dbraw/zinc/45/52/95/572455295.db2.gz MUQUXUWGAGPPKW-WDEREUQCSA-N 1 1 185.311 2.022 10 0 AEAEMO CC[N@@H+](CCC1CC1)[C@@](C)(CC)CN 83926224 572455696 /nfs/dbraw/zinc/45/56/96/572455696.db2.gz MIZICNYOAMRRCE-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[N@@H+](CCC1CC1)[C@](C)(CC)CN 83926225 572455708 /nfs/dbraw/zinc/45/57/08/572455708.db2.gz MIZICNYOAMRRCE-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(=O)[C@H]1CCCC[N@H+]1CCC1CC1 83926743 572456098 /nfs/dbraw/zinc/45/60/98/572456098.db2.gz HETBERAIBJUYQO-GFCCVEGCSA-N 1 1 195.306 2.230 10 0 AEAEMO Cc1ccc(OCCC2CC2)c(N)[nH+]1 83926074 572457212 /nfs/dbraw/zinc/45/72/12/572457212.db2.gz PRDLLCMCJAYWAO-UHFFFAOYSA-N 1 1 192.262 2.151 10 0 AEAEMO CCC(CC)(CN)[N@@H+](C)CCC1CC1 83926228 572457248 /nfs/dbraw/zinc/45/72/48/572457248.db2.gz MLINWAUPORGLBF-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[N@@H+](CCC1CC1)C(C)(C)CN 83926221 572457356 /nfs/dbraw/zinc/45/73/56/572457356.db2.gz WARHESHLCDDHFF-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H]([NH3+])c1nnc(C2CCC2)o1 238252044 572457919 /nfs/dbraw/zinc/45/79/19/572457919.db2.gz WPJLJNJIUFNMKJ-QMMMGPOBSA-N 1 1 195.266 2.137 10 0 AEAEMO CC1(C)CC[NH+](CC(C)(C)CN)CC1 61822397 572457941 /nfs/dbraw/zinc/45/79/41/572457941.db2.gz BBORQKRAYYGMBB-UHFFFAOYSA-N 1 1 198.354 2.093 10 0 AEAEMO CC(=O)[C@H]1CCC[N@@H+](CCC2CC2)C1 83926740 572457947 /nfs/dbraw/zinc/45/79/47/572457947.db2.gz RIDFEHYPGCJISN-LBPRGKRZSA-N 1 1 195.306 2.088 10 0 AEAEMO CC(=O)[C@@H]1CCC[N@@H+](CCC2CC2)C1 83926739 572458221 /nfs/dbraw/zinc/45/82/21/572458221.db2.gz RIDFEHYPGCJISN-GFCCVEGCSA-N 1 1 195.306 2.088 10 0 AEAEMO CC[N@@H+](CC1CC1)[C@@H](CN)C(C)(C)C 68946216 572458661 /nfs/dbraw/zinc/45/86/61/572458661.db2.gz HBHKGHRNLWITTO-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)Cc1cc([C@@H]([NH3+])C(C)C)n[nH]1 74243024 572459446 /nfs/dbraw/zinc/45/94/46/572459446.db2.gz ALNWEZJZUKIWRH-NSHDSACASA-N 1 1 195.310 2.264 10 0 AEAEMO C[C@H]1C[N@H+](C)Cc2c1csc2C=O 74243256 572460083 /nfs/dbraw/zinc/46/00/83/572460083.db2.gz JDFRPFWSIAHABU-ZETCQYMHSA-N 1 1 195.287 2.110 10 0 AEAEMO C[C@H]1C[N@@H+](C)Cc2c1csc2C=O 74243256 572460087 /nfs/dbraw/zinc/46/00/87/572460087.db2.gz JDFRPFWSIAHABU-ZETCQYMHSA-N 1 1 195.287 2.110 10 0 AEAEMO C/C=C/C[N@@H+](C)Cc1ccco1 308029908 572461134 /nfs/dbraw/zinc/46/11/34/572461134.db2.gz INYLAJXMKXCVCG-ONEGZZNKSA-N 1 1 165.236 2.288 10 0 AEAEMO CC(C)Cc1ncc([C@@H]([NH3+])C(C)C)[nH]1 74243011 572461416 /nfs/dbraw/zinc/46/14/16/572461416.db2.gz YHXNLZJPOZHDFF-NSHDSACASA-N 1 1 195.310 2.264 10 0 AEAEMO CCc1oc(C(=O)C[NH3+])cc1C(C)C 74244156 572461507 /nfs/dbraw/zinc/46/15/07/572461507.db2.gz QJZFUWZZQAEHSG-UHFFFAOYSA-N 1 1 195.262 2.107 10 0 AEAEMO CCC[C@H]([NH3+])c1n[nH]c2ccsc12 74243156 572461957 /nfs/dbraw/zinc/46/19/57/572461957.db2.gz NPMPOAFYRRPANO-LURJTMIESA-N 1 1 195.291 2.424 10 0 AEAEMO CC(C)[C@H]([NH3+])c1n[nH]c2ccsc12 74243159 572462199 /nfs/dbraw/zinc/46/21/99/572462199.db2.gz ALQVWPJKYNGPNN-ZETCQYMHSA-N 1 1 195.291 2.280 10 0 AEAEMO CSCCNc1[nH+]cccc1C 69012458 572462204 /nfs/dbraw/zinc/46/22/04/572462204.db2.gz SKRCSZAVJJQGCY-UHFFFAOYSA-N 1 1 182.292 2.165 10 0 AEAEMO CCC[C@@H]([NH3+])c1n[nH]c2ccsc12 74243158 572462399 /nfs/dbraw/zinc/46/23/99/572462399.db2.gz NPMPOAFYRRPANO-ZCFIWIBFSA-N 1 1 195.291 2.424 10 0 AEAEMO CC(C)Cc1ncc([C@H]([NH3+])C(C)C)[nH]1 74243009 572462553 /nfs/dbraw/zinc/46/25/53/572462553.db2.gz YHXNLZJPOZHDFF-LLVKDONJSA-N 1 1 195.310 2.264 10 0 AEAEMO C[C@@H]1C[N@H+](C)Cc2c1csc2C=O 74243254 572462633 /nfs/dbraw/zinc/46/26/33/572462633.db2.gz JDFRPFWSIAHABU-SSDOTTSWSA-N 1 1 195.287 2.110 10 0 AEAEMO C[C@@H]1C[N@@H+](C)Cc2c1csc2C=O 74243254 572462637 /nfs/dbraw/zinc/46/26/37/572462637.db2.gz JDFRPFWSIAHABU-SSDOTTSWSA-N 1 1 195.287 2.110 10 0 AEAEMO CC[NH+](CC)Cc1occ(C)c1C=O 74244321 572463280 /nfs/dbraw/zinc/46/32/80/572463280.db2.gz KCANZCBWIDYFOW-UHFFFAOYSA-N 1 1 195.262 2.242 10 0 AEAEMO CSCCNc1ccc(C)c[nH+]1 69012561 572463824 /nfs/dbraw/zinc/46/38/24/572463824.db2.gz NLBDMHJUQFTLFI-UHFFFAOYSA-N 1 1 182.292 2.165 10 0 AEAEMO CCCCCC(C)(C)C[NH2+]C1CNC1 87399006 572466355 /nfs/dbraw/zinc/46/63/55/572466355.db2.gz FGDKRONLTQGOIT-UHFFFAOYSA-N 1 1 198.354 2.154 10 0 AEAEMO CCC[C@H](C)[C@@H]1CN[C@@H](C)C[N@H+]1CC 238258607 572468242 /nfs/dbraw/zinc/46/82/42/572468242.db2.gz WYDCBAQRDGLNJM-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)[C@@H]1C[NH2+][C@@H](C)CN1CC 238258607 572468244 /nfs/dbraw/zinc/46/82/44/572468244.db2.gz WYDCBAQRDGLNJM-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCNC[C@H](CC)[N@H+]1C[C@@H](C)C[C@@H]1C 222764606 572471396 /nfs/dbraw/zinc/47/13/96/572471396.db2.gz VOULOTUZXUNKJD-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[C@@H](CC)C[N@@H+]1CCCNC1 238258296 572469423 /nfs/dbraw/zinc/46/94/23/572469423.db2.gz BBTFZBBENIZTNE-GFCCVEGCSA-N 1 1 198.354 2.456 10 0 AEAEMO CCCC[C@@H](CC)C[N@H+]1CCCNC1 238258296 572469429 /nfs/dbraw/zinc/46/94/29/572469429.db2.gz BBTFZBBENIZTNE-GFCCVEGCSA-N 1 1 198.354 2.456 10 0 AEAEMO CCC[C@H](C)[C@@H]1C[NH2+][C@@H](CC)CN1C 238258624 572469727 /nfs/dbraw/zinc/46/97/27/572469727.db2.gz JFFCLLWJOVGVPO-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)[C@@H]1CN[C@@H](CC)C[N@H+]1C 238258624 572469723 /nfs/dbraw/zinc/46/97/23/572469723.db2.gz JFFCLLWJOVGVPO-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCOC(=[NH2+])c1cccc(COC)c1 83968226 572469855 /nfs/dbraw/zinc/46/98/55/572469855.db2.gz IZELKTOWAWYKRO-UHFFFAOYSA-N 1 1 193.246 2.195 10 0 AEAEMO CCOC(=[NH2+])c1ccc(COC)cc1 83969462 572470210 /nfs/dbraw/zinc/47/02/10/572470210.db2.gz OAPXVPYIPZNZGU-UHFFFAOYSA-N 1 1 193.246 2.195 10 0 AEAEMO CCNC[C@H](CC)[N@@H+]1C[C@@H](C)C[C@@H]1C 222764606 572471392 /nfs/dbraw/zinc/47/13/92/572471392.db2.gz VOULOTUZXUNKJD-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@@H+](CC)Cc1ccc[nH]1 308039581 572472688 /nfs/dbraw/zinc/47/26/88/572472688.db2.gz MRCFVJVZORYAQN-UHFFFAOYSA-N 1 1 166.268 2.247 10 0 AEAEMO CCC[C@H](C)[C@H]1CN[C@@H](CC)C[N@H+]1C 238259970 572474852 /nfs/dbraw/zinc/47/48/52/572474852.db2.gz JFFCLLWJOVGVPO-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)[C@H]1C[NH2+][C@@H](CC)CN1C 238259970 572474856 /nfs/dbraw/zinc/47/48/56/572474856.db2.gz JFFCLLWJOVGVPO-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO C[N@H+]1CCCC[C@H]2CCCC(=O)C[C@H]21 250570129 572479196 /nfs/dbraw/zinc/47/91/96/572479196.db2.gz DUCRJJONEVWFJC-CMPLNLGQSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)C[C@@H]([NH3+])c1nc2ccoc2o1 74246674 572479599 /nfs/dbraw/zinc/47/95/99/572479599.db2.gz QYKXHRLUGHFQMU-SSDOTTSWSA-N 1 1 194.234 2.467 10 0 AEAEMO CC(=O)CCC[N@H+]1C[C@@H](C)CC[C@@H]1C 84050006 572480179 /nfs/dbraw/zinc/48/01/79/572480179.db2.gz IWOFAFJUWNMSPM-QWRGUYRKSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(=O)CCC[N@H+]1C[C@H](C)CC[C@H]1C 84050009 572480454 /nfs/dbraw/zinc/48/04/54/572480454.db2.gz IWOFAFJUWNMSPM-GHMZBOCLSA-N 1 1 197.322 2.476 10 0 AEAEMO C[N@H+]1CCCC[C@@H]2CCCC(=O)C[C@H]21 250570130 572480762 /nfs/dbraw/zinc/48/07/62/572480762.db2.gz DUCRJJONEVWFJC-ZYHUDNBSSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(=O)CCC[N@H+]1C[C@H](C)CC[C@@H]1C 84050001 572481745 /nfs/dbraw/zinc/48/17/45/572481745.db2.gz IWOFAFJUWNMSPM-MNOVXSKESA-N 1 1 197.322 2.476 10 0 AEAEMO Cc1cc(C)c2[nH]c([C@H](C)[NH3+])nc2c1 62152797 572482864 /nfs/dbraw/zinc/48/28/64/572482864.db2.gz AUVZNDISBZYUDD-QMMMGPOBSA-N 1 1 189.262 2.199 10 0 AEAEMO CC[C@H](C[N@@H+]1C[C@H](C)CC[C@@H]1C)NC 84046553 572482872 /nfs/dbraw/zinc/48/28/72/572482872.db2.gz IAMBNFRINUXPRP-GRYCIOLGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C[N@H+]1C[C@H](C)CC[C@@H]1C)NC 84046553 572482881 /nfs/dbraw/zinc/48/28/81/572482881.db2.gz IAMBNFRINUXPRP-GRYCIOLGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](N)C[N@H+]1C[C@H](C)CC[C@@H]1C 84046760 572483487 /nfs/dbraw/zinc/48/34/87/572483487.db2.gz PKUNDIRKKWZZIU-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H]([NH3+])CN1C[C@H](C)CC[C@@H]1C 84046760 572483491 /nfs/dbraw/zinc/48/34/91/572483491.db2.gz PKUNDIRKKWZZIU-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](CN)[N@H+]1C[C@H](C)CC[C@@H]1C 84045627 572484049 /nfs/dbraw/zinc/48/40/49/572484049.db2.gz VARGRQCAMIEJQZ-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO Cc1cc(C)c2[nH]c([C@@H](C)[NH3+])nc2c1 62152796 572484509 /nfs/dbraw/zinc/48/45/09/572484509.db2.gz AUVZNDISBZYUDD-MRVPVSSYSA-N 1 1 189.262 2.199 10 0 AEAEMO CC(=O)CCC[N@H+]1C[C@@H](C)CC[C@H]1C 84050012 572485804 /nfs/dbraw/zinc/48/58/04/572485804.db2.gz IWOFAFJUWNMSPM-WDEREUQCSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@@H]1CC[C@@H](CC[NH+](C)C)[N@@H+](C)C1 238264456 572485974 /nfs/dbraw/zinc/48/59/74/572485974.db2.gz ZPEWXDISMPZYFM-NEPJUHHUSA-N 1 1 198.354 2.059 10 0 AEAEMO CC[C@@H]1CC[C@@H](CCN(C)C)[N@H+](C)C1 238264456 572485979 /nfs/dbraw/zinc/48/59/79/572485979.db2.gz ZPEWXDISMPZYFM-NEPJUHHUSA-N 1 1 198.354 2.059 10 0 AEAEMO CC[C@@H]1CC[C@@H](CCN(C)C)[N@@H+](C)C1 238264456 572485984 /nfs/dbraw/zinc/48/59/84/572485984.db2.gz ZPEWXDISMPZYFM-NEPJUHHUSA-N 1 1 198.354 2.059 10 0 AEAEMO Cc1cc2nc([C@H](C)[NH3+])oc2cc1F 74246967 572486242 /nfs/dbraw/zinc/48/62/42/572486242.db2.gz KTZONCAJQCKVRJ-LURJTMIESA-N 1 1 194.209 2.295 10 0 AEAEMO CC(C)C[N@H+]1CC[C@@H](CC[C@H](C)O)C1 250592551 572487075 /nfs/dbraw/zinc/48/70/75/572487075.db2.gz LQHQTLRYIKWFME-NWDGAFQWSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](CNC)[N@@H+]1C[C@H](C)CC[C@@H]1C 84054017 572487350 /nfs/dbraw/zinc/48/73/50/572487350.db2.gz FNWXXAGOEYWGOQ-GRYCIOLGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](CNC)[N@H+]1C[C@H](C)CC[C@@H]1C 84054017 572487352 /nfs/dbraw/zinc/48/73/52/572487352.db2.gz FNWXXAGOEYWGOQ-GRYCIOLGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[N@@H+](C)C[C@H](O)C1CCCC1 158406757 572487515 /nfs/dbraw/zinc/48/75/15/572487515.db2.gz KCYAPSHRTGLJQU-LBPRGKRZSA-N 1 1 199.338 2.125 10 0 AEAEMO CCCC(=O)C[N@H+]1C[C@@H](C)CC[C@@H]1C 84050180 572487985 /nfs/dbraw/zinc/48/79/85/572487985.db2.gz ARMWFKMEWSNTCF-QWRGUYRKSA-N 1 1 197.322 2.476 10 0 AEAEMO CCCC(=O)C[N@H+]1C[C@H](C)CC[C@@H]1C 84050173 572488157 /nfs/dbraw/zinc/48/81/57/572488157.db2.gz ARMWFKMEWSNTCF-MNOVXSKESA-N 1 1 197.322 2.476 10 0 AEAEMO CC(C)C[N@H+]1CC[C@H](CC[C@H](C)O)C1 250592555 572488493 /nfs/dbraw/zinc/48/84/93/572488493.db2.gz LQHQTLRYIKWFME-RYUDHWBXSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H]1CC[C@H](CC[NH+](C)C)[N@@H+](C)C1 238265611 572488679 /nfs/dbraw/zinc/48/86/79/572488679.db2.gz ZPEWXDISMPZYFM-VXGBXAGGSA-N 1 1 198.354 2.059 10 0 AEAEMO CC[C@@H]1CC[C@H](CCN(C)C)[N@H+](C)C1 238265611 572488681 /nfs/dbraw/zinc/48/86/81/572488681.db2.gz ZPEWXDISMPZYFM-VXGBXAGGSA-N 1 1 198.354 2.059 10 0 AEAEMO CC[C@@H]1CC[C@H](CCN(C)C)[N@@H+](C)C1 238265611 572488683 /nfs/dbraw/zinc/48/86/83/572488683.db2.gz ZPEWXDISMPZYFM-VXGBXAGGSA-N 1 1 198.354 2.059 10 0 AEAEMO C[N@H+]1CCCC[C@@H]2CCC[C@@H](O)C[C@H]21 250601763 572490531 /nfs/dbraw/zinc/49/05/31/572490531.db2.gz KFTPHCSMABHJFJ-IJLUTSLNSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@H+]1CCCC[C@@H]2CCC[C@H](O)C[C@H]21 250601762 572490914 /nfs/dbraw/zinc/49/09/14/572490914.db2.gz KFTPHCSMABHJFJ-GRYCIOLGSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H]1CC[C@H]([NH2+]Cc2c[nH]cn2)C1 84080926 572492661 /nfs/dbraw/zinc/49/26/61/572492661.db2.gz RGQALHCTVCTYKK-UWVGGRQHSA-N 1 1 193.294 2.078 10 0 AEAEMO CCCC[C@H](CC)[NH2+]Cc1c[nH]cn1 84080922 572494245 /nfs/dbraw/zinc/49/42/45/572494245.db2.gz MSYFBCRGTMCPLL-JTQLQIEISA-N 1 1 195.310 2.468 10 0 AEAEMO C[N@H+]1CCCC[C@@H]2CCC[C@H](O)C[C@@H]21 250601765 572493320 /nfs/dbraw/zinc/49/33/20/572493320.db2.gz KFTPHCSMABHJFJ-WOPDTQHZSA-N 1 1 197.322 2.022 10 0 AEAEMO C/C=C/c1nnc([C@H]([NH3+])[C@H](C)CC)o1 238269049 572493462 /nfs/dbraw/zinc/49/34/62/572493462.db2.gz BDXJONAITZNBMQ-NNDYZCQXSA-N 1 1 195.266 2.149 10 0 AEAEMO CCCCc1nnc([C@H]([NH3+])C(C)C)o1 238268943 572493872 /nfs/dbraw/zinc/49/38/72/572493872.db2.gz RWGQJHKMHRKENM-SECBINFHSA-N 1 1 197.282 2.068 10 0 AEAEMO CC[C@@H](C)[C@@H]([NH3+])c1nnc(C(C)C)o1 238268950 572494360 /nfs/dbraw/zinc/49/43/60/572494360.db2.gz XGURJMRENGFDOB-HTQZYQBOSA-N 1 1 197.282 2.239 10 0 AEAEMO Cc1cn[nH]c1[C@@H]([NH3+])CC1CCCC1 74247534 572495015 /nfs/dbraw/zinc/49/50/15/572495015.db2.gz AGAHSOOBORISQT-JTQLQIEISA-N 1 1 193.294 2.298 10 0 AEAEMO CCCCc1nnc([C@@H]([NH3+])CCC)o1 238268866 572494864 /nfs/dbraw/zinc/49/48/64/572494864.db2.gz SPOGXMCRQPFVIT-QMMMGPOBSA-N 1 1 197.282 2.212 10 0 AEAEMO CC[C@@H]1CC[C@H]([NH2+]Cc2c[nH]cn2)C1 84080925 572495766 /nfs/dbraw/zinc/49/57/66/572495766.db2.gz RGQALHCTVCTYKK-ZJUUUORDSA-N 1 1 193.294 2.078 10 0 AEAEMO CCCC(CCC)[NH2+]Cc1c[nH]cn1 84080990 572495402 /nfs/dbraw/zinc/49/54/02/572495402.db2.gz WZWVIOXALJITOE-UHFFFAOYSA-N 1 1 195.310 2.468 10 0 AEAEMO CNC(C)(C)C[N@H+]1CCC[C@H]1C(C)C 84126900 572497874 /nfs/dbraw/zinc/49/78/74/572497874.db2.gz DCXOFOMFZBCGKC-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(CC)Cc1cc(N)nc(C)[nH+]1 74247448 572495700 /nfs/dbraw/zinc/49/57/00/572495700.db2.gz OMYKENLRORDHTQ-UHFFFAOYSA-N 1 1 193.294 2.346 10 0 AEAEMO CCCC[C@@H](CC)[NH2+]Cc1c[nH]cn1 84080921 572495714 /nfs/dbraw/zinc/49/57/14/572495714.db2.gz MSYFBCRGTMCPLL-SNVBAGLBSA-N 1 1 195.310 2.468 10 0 AEAEMO CC[C@H]1CC[C@@H]([NH2+]Cc2c[nH]cn2)C1 84080928 572495731 /nfs/dbraw/zinc/49/57/31/572495731.db2.gz RGQALHCTVCTYKK-VHSXEESVSA-N 1 1 193.294 2.078 10 0 AEAEMO Cc1nc([C@H](C)[NH3+])oc1C(F)(F)F 74247248 572496140 /nfs/dbraw/zinc/49/61/40/572496140.db2.gz NQAJXJWDEDSYOC-VKHMYHEASA-N 1 1 194.156 2.022 10 0 AEAEMO Cc1cn[nH]c1[C@H]([NH3+])CC1CCCC1 74247533 572496301 /nfs/dbraw/zinc/49/63/01/572496301.db2.gz AGAHSOOBORISQT-SNVBAGLBSA-N 1 1 193.294 2.298 10 0 AEAEMO CCC(=O)C[N@H+]1CCC[C@H]1C(C)C 84126701 572497099 /nfs/dbraw/zinc/49/70/99/572497099.db2.gz LBFFRULFZAEMKX-NSHDSACASA-N 1 1 183.295 2.086 10 0 AEAEMO C[N@H+]1CCCC[C@@H]1[C@@H](O)C1CCCC1 250623940 572497112 /nfs/dbraw/zinc/49/71/12/572497112.db2.gz PUBGOVUAUVQXKW-NEPJUHHUSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)[C@@H]1CCC[N@H+]1CC(C)(C)CO 84127665 572497533 /nfs/dbraw/zinc/49/75/33/572497533.db2.gz CIOAFSAVKGLOHG-NSHDSACASA-N 1 1 199.338 2.125 10 0 AEAEMO CCCC(=O)C[N@H+]1CCC[C@@H]1C(C)C 84126682 572497580 /nfs/dbraw/zinc/49/75/80/572497580.db2.gz QYJHSINAJVOQLU-GFCCVEGCSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@H](O)[C@@H](C)[N@H+]1CCC[C@@H]1C(C)C 84127242 572497781 /nfs/dbraw/zinc/49/77/81/572497781.db2.gz PLMXHEUJQCQXKT-UTUOFQBUSA-N 1 1 199.338 2.266 10 0 AEAEMO Cc1nc([C@@H](C)[NH3+])oc1C(F)(F)F 74247247 572497822 /nfs/dbraw/zinc/49/78/22/572497822.db2.gz NQAJXJWDEDSYOC-GSVOUGTGSA-N 1 1 194.156 2.022 10 0 AEAEMO C[NH2+]C(C)(C)CN1CCC[C@H]1C(C)C 84126900 572497881 /nfs/dbraw/zinc/49/78/81/572497881.db2.gz DCXOFOMFZBCGKC-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CNC(C)(C)C[N@H+]1CCC[C@@H]1C(C)C 84126902 572498001 /nfs/dbraw/zinc/49/80/01/572498001.db2.gz DCXOFOMFZBCGKC-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO C[NH2+]C(C)(C)CN1CCC[C@@H]1C(C)C 84126902 572498007 /nfs/dbraw/zinc/49/80/07/572498007.db2.gz DCXOFOMFZBCGKC-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[C@@H](N)C[N@H+]1CCC[C@@H]1C(C)C 84126924 572498078 /nfs/dbraw/zinc/49/80/78/572498078.db2.gz KLCPKFUEYKHWNE-NWDGAFQWSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@H]1CCC[N@H+]1CC(=O)C1CC1 84126697 572498593 /nfs/dbraw/zinc/49/85/93/572498593.db2.gz FDTIUAYZXXYAGU-LLVKDONJSA-N 1 1 195.306 2.086 10 0 AEAEMO C[N@H+]1CCC[C@H]1[C@@H](O)C1CCCCC1 250614606 572498863 /nfs/dbraw/zinc/49/88/63/572498863.db2.gz NOWMMRCXMXXUIR-RYUDHWBXSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@H+]1CCC[C@@H]1[C@@H](O)C1CCCCC1 250614604 572499473 /nfs/dbraw/zinc/49/94/73/572499473.db2.gz NOWMMRCXMXXUIR-NEPJUHHUSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@H+]1CCCC[C@H]1[C@@H](O)C1CCCC1 250623943 572499158 /nfs/dbraw/zinc/49/91/58/572499158.db2.gz PUBGOVUAUVQXKW-RYUDHWBXSA-N 1 1 197.322 2.022 10 0 AEAEMO CCNC[C@@H](C)[N@H+]1CCC[C@@H]1C(C)C 84127727 572501148 /nfs/dbraw/zinc/50/11/48/572501148.db2.gz NPIIMZNFYXPZMD-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCNC[C@H](C)[N@@H+]1CCC[C@@H]1C(C)C 84127729 572499434 /nfs/dbraw/zinc/49/94/34/572499434.db2.gz NPIIMZNFYXPZMD-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCNC[C@H](C)[N@H+]1CCC[C@@H]1C(C)C 84127729 572499438 /nfs/dbraw/zinc/49/94/38/572499438.db2.gz NPIIMZNFYXPZMD-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[C@@H]1CCC[N@@H+]1C[C@H](N)C(C)C 84126922 572499506 /nfs/dbraw/zinc/49/95/06/572499506.db2.gz KLCPKFUEYKHWNE-RYUDHWBXSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(=O)CCC[N@@H+]1CCC[C@H]1C(C)C 84126675 572499569 /nfs/dbraw/zinc/49/95/69/572499569.db2.gz LXANJBVIZIVGLD-LBPRGKRZSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(=O)CC[N@@H+]1CCC[C@@H]1C(C)C 84126703 572499703 /nfs/dbraw/zinc/49/97/03/572499703.db2.gz LBXGONXAZLGKDH-LLVKDONJSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)[C@H]1CCC[N@H+]1CC(C)(C)CO 84127667 572499747 /nfs/dbraw/zinc/49/97/47/572499747.db2.gz CIOAFSAVKGLOHG-LLVKDONJSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(=O)CC[N@@H+]1CCC[C@H]1C(C)C 84126702 572499839 /nfs/dbraw/zinc/49/98/39/572499839.db2.gz LBXGONXAZLGKDH-NSHDSACASA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)[C@H]1CCC[N@@H+]1CC(C)(C)CN 84127537 572499867 /nfs/dbraw/zinc/49/98/67/572499867.db2.gz VBUSXBDEKAKSBK-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)[C@H]1CCC[N@H+]1CC(C)(C)CN 84127537 572499870 /nfs/dbraw/zinc/49/98/70/572499870.db2.gz VBUSXBDEKAKSBK-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(=O)C[C@H](C)[N@@H+]1CCC[C@@H]1C(C)C 84126694 572499938 /nfs/dbraw/zinc/49/99/38/572499938.db2.gz UXPHYXZZIITCNX-CMPLNLGQSA-N 1 1 197.322 2.474 10 0 AEAEMO CC(C)[C@@H]1CCC[N@H+]1CC(=O)C1CC1 84126696 572500225 /nfs/dbraw/zinc/50/02/25/572500225.db2.gz FDTIUAYZXXYAGU-NSHDSACASA-N 1 1 195.306 2.086 10 0 AEAEMO CC(=O)C[C@H](C)[N@@H+]1CCC[C@H]1C(C)C 84126692 572500631 /nfs/dbraw/zinc/50/06/31/572500631.db2.gz UXPHYXZZIITCNX-JQWIXIFHSA-N 1 1 197.322 2.474 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@H+]1CCC[C@@H]1C(C)C 84127246 572500753 /nfs/dbraw/zinc/50/07/53/572500753.db2.gz PLMXHEUJQCQXKT-TUAOUCFPSA-N 1 1 199.338 2.266 10 0 AEAEMO CCCC(=O)C[N@H+]1CCC[C@H]1C(C)C 84126684 572500947 /nfs/dbraw/zinc/50/09/47/572500947.db2.gz QYJHSINAJVOQLU-LBPRGKRZSA-N 1 1 197.322 2.476 10 0 AEAEMO CCNC[C@@H](C)[N@@H+]1CCC[C@@H]1C(C)C 84127727 572501143 /nfs/dbraw/zinc/50/11/43/572501143.db2.gz NPIIMZNFYXPZMD-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO Cc1sc(N)cc1-n1cc[nH+]c1C 74247790 572501219 /nfs/dbraw/zinc/50/12/19/572501219.db2.gz HUKLRWNVZYRVBT-UHFFFAOYSA-N 1 1 193.275 2.133 10 0 AEAEMO COC(=[NH2+])C1CCC(C)CC1 44983922 572501358 /nfs/dbraw/zinc/50/13/58/572501358.db2.gz OEGWFQUZYZIHEE-UHFFFAOYSA-N 1 1 155.241 2.436 10 0 AEAEMO CC(C)[C@@H]1CCC[N@@H+]1CC(C)(C)CN 84127535 572501527 /nfs/dbraw/zinc/50/15/27/572501527.db2.gz VBUSXBDEKAKSBK-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)[C@@H]1CCC[N@H+]1CC(C)(C)CN 84127535 572501532 /nfs/dbraw/zinc/50/15/32/572501532.db2.gz VBUSXBDEKAKSBK-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@H+]1CC[C@](O)(CC(C)(C)CC)C1 713265454 572501601 /nfs/dbraw/zinc/50/16/01/572501601.db2.gz HLOFJUCZMAVMTL-LBPRGKRZSA-N 1 1 199.338 2.269 10 0 AEAEMO COC(=[NH2+])[C@H]1CCC[C@H](C)C1 44981277 572501621 /nfs/dbraw/zinc/50/16/21/572501621.db2.gz FLKZPVZCTIABMP-YUMQZZPRSA-N 1 1 155.241 2.436 10 0 AEAEMO CCC(=O)C[N@H+]1CCC[C@@H]1C(C)C 84126699 572501654 /nfs/dbraw/zinc/50/16/54/572501654.db2.gz LBFFRULFZAEMKX-LLVKDONJSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(=O)CCC[N@@H+]1CCC[C@@H]1C(C)C 84126676 572501701 /nfs/dbraw/zinc/50/17/01/572501701.db2.gz LXANJBVIZIVGLD-GFCCVEGCSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(C)[NH2+]CCN1CCC[C@@H]1C(C)C 84125863 572502108 /nfs/dbraw/zinc/50/21/08/572502108.db2.gz OLOGWUDBVSOXLY-GFCCVEGCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[C@H](CN)[N@H+]1CCC[C@@H]1C(C)C 84125375 572502236 /nfs/dbraw/zinc/50/22/36/572502236.db2.gz JSSGZGNUILPQSK-NEPJUHHUSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC[N@H+]1CC(C)(C)NC[C@H]1C(C)C 62568327 572502292 /nfs/dbraw/zinc/50/22/92/572502292.db2.gz IYACHNVVADWVRI-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC1([N@H+]2CCCNCC2)CCCCC1 45046666 572502674 /nfs/dbraw/zinc/50/26/74/572502674.db2.gz PNCOJKXLAOPUIC-UHFFFAOYSA-N 1 1 196.338 2.005 10 0 AEAEMO CCC[C@H](CN)[N@H+]1CCC[C@@H]1C(C)C 84125458 572502782 /nfs/dbraw/zinc/50/27/82/572502782.db2.gz JQIIDSLNPAAXTJ-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@@H]1CN[C@@H](C)C[N@H+]1C(C)C 62568313 572502836 /nfs/dbraw/zinc/50/28/36/572502836.db2.gz RXGWZTPZFQIMDN-NWDGAFQWSA-N 1 1 198.354 2.103 10 0 AEAEMO CCC[N@H+]1CC(C)(C)NC[C@@H]1C(C)C 62568325 572502855 /nfs/dbraw/zinc/50/28/55/572502855.db2.gz IYACHNVVADWVRI-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO C/C=C\C[N@@H+]1CC[C@H]1CC 307776485 572502875 /nfs/dbraw/zinc/50/28/75/572502875.db2.gz HUZMYWPLGJGKNM-AZVKUDOFSA-N 1 1 139.242 2.047 10 0 AEAEMO CC(C)[NH2+]CCN1CCC[C@H]1C(C)C 84125860 572502901 /nfs/dbraw/zinc/50/29/01/572502901.db2.gz OLOGWUDBVSOXLY-LBPRGKRZSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[C@@H]1CN[C@H](C)C[N@H+]1C(C)C 62568312 572503263 /nfs/dbraw/zinc/50/32/63/572503263.db2.gz RXGWZTPZFQIMDN-VXGBXAGGSA-N 1 1 198.354 2.103 10 0 AEAEMO CCCCC[N@H+]1C[C@H](C)NCC1(C)C 62568293 572503423 /nfs/dbraw/zinc/50/34/23/572503423.db2.gz YRCRSCDARJZQHY-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCCN1C[C@H](C)[NH2+]CC1(C)C 62568293 572503429 /nfs/dbraw/zinc/50/34/29/572503429.db2.gz YRCRSCDARJZQHY-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(C)(C)C[C@]1(O)C[C@H](C)[N@@H+](C)C1 713267257 572503546 /nfs/dbraw/zinc/50/35/46/572503546.db2.gz OPWNCBIKFFLOFU-CMPLNLGQSA-N 1 1 199.338 2.268 10 0 AEAEMO CCN[C@@H](C)C[N@@H+]1CCC[C@@H]1C(C)C 84125795 572503481 /nfs/dbraw/zinc/50/34/81/572503481.db2.gz RCWLDMBNQPDNJW-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCN[C@@H](C)C[N@H+]1CCC[C@@H]1C(C)C 84125795 572503484 /nfs/dbraw/zinc/50/34/84/572503484.db2.gz RCWLDMBNQPDNJW-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO C/C=C\C[N@@H+]1CC[C@@H]1CC 307776490 572503678 /nfs/dbraw/zinc/50/36/78/572503678.db2.gz HUZMYWPLGJGKNM-LVCFMKKZSA-N 1 1 139.242 2.047 10 0 AEAEMO CCC(C)(C)C[C@@]1(O)C[C@H](C)[N@@H+](C)C1 713267264 572503783 /nfs/dbraw/zinc/50/37/83/572503783.db2.gz OPWNCBIKFFLOFU-JQWIXIFHSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](N)[C@H](C)[N@H+]1CCC[C@@H]1C(C)C 84125790 572503954 /nfs/dbraw/zinc/50/39/54/572503954.db2.gz RYLGPXZRAJIFQM-SDDRHHMPSA-N 1 1 198.354 2.233 10 0 AEAEMO CN[C@H](C)[C@H](C)[N@H+]1CCC[C@@H]1C(C)C 84125659 572503962 /nfs/dbraw/zinc/50/39/62/572503962.db2.gz QAJDUKDWWPJNNA-GRYCIOLGSA-N 1 1 198.354 2.103 10 0 AEAEMO C[NH2+][C@H](C)[C@H](C)N1CCC[C@@H]1C(C)C 84125659 572503965 /nfs/dbraw/zinc/50/39/65/572503965.db2.gz QAJDUKDWWPJNNA-GRYCIOLGSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H](C[N@@H+]1CCC[C@@H]1C(C)C)NC 84125768 572503977 /nfs/dbraw/zinc/50/39/77/572503977.db2.gz AAVSLZRAZIVRJC-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C[N@H+]1CCC[C@@H]1C(C)C)NC 84125768 572503980 /nfs/dbraw/zinc/50/39/80/572503980.db2.gz AAVSLZRAZIVRJC-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1C(C)C 84126605 572504054 /nfs/dbraw/zinc/50/40/54/572504054.db2.gz ZFZTVMYZIHJLMJ-GHMZBOCLSA-N 1 1 197.322 2.474 10 0 AEAEMO CCC[C@@H](N)C[N@H+]1CCC[C@@H]1C(C)C 84125819 572504400 /nfs/dbraw/zinc/50/44/00/572504400.db2.gz COBKMZPLQDUGKP-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](N)C[N@H+]1CCC[C@@H]1C(C)C 84125816 572504546 /nfs/dbraw/zinc/50/45/46/572504546.db2.gz COBKMZPLQDUGKP-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@](C)(CN)[N@H+]1CCC[C@@H]1C(C)C 84125343 572504612 /nfs/dbraw/zinc/50/46/12/572504612.db2.gz MCHOIMWRLUKQIE-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CN[C@H](C)[C@H](C)[N@H+]1CCC[C@H]1C(C)C 84125657 572505003 /nfs/dbraw/zinc/50/50/03/572505003.db2.gz QAJDUKDWWPJNNA-WOPDTQHZSA-N 1 1 198.354 2.103 10 0 AEAEMO C[NH2+][C@H](C)[C@H](C)N1CCC[C@H]1C(C)C 84125657 572505005 /nfs/dbraw/zinc/50/50/05/572505005.db2.gz QAJDUKDWWPJNNA-WOPDTQHZSA-N 1 1 198.354 2.103 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+]1CCC[C@@H]1C(C)C 84126607 572505136 /nfs/dbraw/zinc/50/51/36/572505136.db2.gz ZFZTVMYZIHJLMJ-WDEREUQCSA-N 1 1 197.322 2.474 10 0 AEAEMO CC(C)(N)C[NH2+]C1(C)CCCCC1 45047242 572505208 /nfs/dbraw/zinc/50/52/08/572505208.db2.gz SNSQRSLKPYJXDG-UHFFFAOYSA-N 1 1 184.327 2.036 10 0 AEAEMO C[N@H+]1CCCCC[C@H]1[C@@H](O)C1CCC1 250632030 572505325 /nfs/dbraw/zinc/50/53/25/572505325.db2.gz RJWHAPSQBHFMAX-RYUDHWBXSA-N 1 1 197.322 2.022 10 0 AEAEMO [NH3+]C[C@@H](CC1CCCCC1)[NH2+]C1CC1 87473541 572505344 /nfs/dbraw/zinc/50/53/44/572505344.db2.gz QHNQXVPGFUQQHV-GFCCVEGCSA-N 1 1 196.338 2.036 10 0 AEAEMO O=Cc1ccoc1C[NH+]1CCCCC1 74248199 572505571 /nfs/dbraw/zinc/50/55/71/572505571.db2.gz OGDZOCMMBYTNQK-UHFFFAOYSA-N 1 1 193.246 2.078 10 0 AEAEMO O=Cc1occc1C[NH+]1CCCCC1 74248198 572506409 /nfs/dbraw/zinc/50/64/09/572506409.db2.gz PGKCGBBSFJAJHL-UHFFFAOYSA-N 1 1 193.246 2.078 10 0 AEAEMO CCC(=O)C[N@H+]1CC[C@@H](CC(C)C)C1 307780766 572506557 /nfs/dbraw/zinc/50/65/57/572506557.db2.gz KQJMUJKZGAVECO-NSHDSACASA-N 1 1 197.322 2.334 10 0 AEAEMO C[N@H+]1CCCCC[C@@H]1[C@@H](O)C1CCC1 250632028 572506593 /nfs/dbraw/zinc/50/65/93/572506593.db2.gz RJWHAPSQBHFMAX-NEPJUHHUSA-N 1 1 197.322 2.022 10 0 AEAEMO O=Cc1coc(C[NH+]2CCCCC2)c1 74248197 572507018 /nfs/dbraw/zinc/50/70/18/572507018.db2.gz ACTVRRKACPGLEV-UHFFFAOYSA-N 1 1 193.246 2.078 10 0 AEAEMO C[N@@H+](CC(C)(C)C)[C@H]1CCCCC1=O 45084828 572507022 /nfs/dbraw/zinc/50/70/22/572507022.db2.gz RHPAFEXOHGWLSA-JTQLQIEISA-N 1 1 197.322 2.476 10 0 AEAEMO C[N@@H+](CC(C)(C)C)[C@@H]1CCCCC1=O 45084825 572508742 /nfs/dbraw/zinc/50/87/42/572508742.db2.gz RHPAFEXOHGWLSA-SNVBAGLBSA-N 1 1 197.322 2.476 10 0 AEAEMO [NH3+]C[C@H](CC1CCCCC1)[NH2+]C1CC1 87473540 572507028 /nfs/dbraw/zinc/50/70/28/572507028.db2.gz QHNQXVPGFUQQHV-LBPRGKRZSA-N 1 1 196.338 2.036 10 0 AEAEMO CC[N@@H+](C)[C@@H](CN)CC1CCCCC1 87473507 572507729 /nfs/dbraw/zinc/50/77/29/572507729.db2.gz BVNOTGFVIZUBOJ-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCN(C)[C@@H](C[NH3+])CC1CCCCC1 87473507 572507732 /nfs/dbraw/zinc/50/77/32/572507732.db2.gz BVNOTGFVIZUBOJ-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@@H](F)CC[N@@H+](C)[C@@H]1CC1(C)C 308045771 572511703 /nfs/dbraw/zinc/51/17/03/572511703.db2.gz PHVADRKZHLXYPR-RKDXNWHRSA-N 1 1 173.275 2.465 10 0 AEAEMO C[N@@H+](CC(C)(C)C)[C@@H]1CCCC[C@@H]1N 45072537 572508246 /nfs/dbraw/zinc/50/82/46/572508246.db2.gz UXEMIUXMOWDZRP-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CN(CC(C)(C)C)[C@@H]1CCCC[C@@H]1[NH3+] 45072537 572508249 /nfs/dbraw/zinc/50/82/49/572508249.db2.gz UXEMIUXMOWDZRP-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO C[N@@H+](CC(C)(C)C)[C@H]1CCCC[C@@H]1N 45072538 572508926 /nfs/dbraw/zinc/50/89/26/572508926.db2.gz UXEMIUXMOWDZRP-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO CN(CC(C)(C)C)[C@H]1CCCC[C@@H]1[NH3+] 45072538 572508927 /nfs/dbraw/zinc/50/89/27/572508927.db2.gz UXEMIUXMOWDZRP-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](O)[C@H](C)[N@@H+](C)CC(C)(C)C 45087145 572509232 /nfs/dbraw/zinc/50/92/32/572509232.db2.gz JEVMRQLUDJXWFH-VHSXEESVSA-N 1 1 187.327 2.124 10 0 AEAEMO CN(CC(C)(C)C)c1ccc(N)c[nH+]1 45070758 572509414 /nfs/dbraw/zinc/50/94/14/572509414.db2.gz IBMQYQMLEPBRQP-UHFFFAOYSA-N 1 1 193.294 2.146 10 0 AEAEMO C[N@@H+](CC(C)(C)C)[C@H]1CCCC1=O 45084849 572509504 /nfs/dbraw/zinc/50/95/04/572509504.db2.gz HUOCSORMKPGPEI-VIFPVBQESA-N 1 1 183.295 2.086 10 0 AEAEMO CN(CC(C)(C)C)c1ccc(N)[nH+]c1 45070833 572509647 /nfs/dbraw/zinc/50/96/47/572509647.db2.gz YLUUMVGYJVYPMB-UHFFFAOYSA-N 1 1 193.294 2.146 10 0 AEAEMO Cc1nc(C[NH2+][C@H]2CC2(C)C)oc1C 45134172 572511737 /nfs/dbraw/zinc/51/17/37/572511737.db2.gz BBVDDXLGVNLRFU-VIFPVBQESA-N 1 1 194.278 2.180 10 0 AEAEMO C/C=C/C[N@H+](CC)[C@@H]1CCC[C@@H]1C[NH3+] 84214464 572510849 /nfs/dbraw/zinc/51/08/49/572510849.db2.gz CMMMXEOYIRXPLQ-WEPHUFDCSA-N 1 1 196.338 2.012 10 0 AEAEMO C[C@@H](F)CC[N@@H+](C)[C@H]1CC1(C)C 308045768 572511460 /nfs/dbraw/zinc/51/14/60/572511460.db2.gz PHVADRKZHLXYPR-BDAKNGLRSA-N 1 1 173.275 2.465 10 0 AEAEMO C[C@H](F)CC[N@@H+](C)[C@@H]1CC1(C)C 308045769 572511824 /nfs/dbraw/zinc/51/18/24/572511824.db2.gz PHVADRKZHLXYPR-DTWKUNHWSA-N 1 1 173.275 2.465 10 0 AEAEMO CC(C)[N@H+]1CC[C@@H](Cn2cccc2)C1 45136625 572512196 /nfs/dbraw/zinc/51/21/96/572512196.db2.gz YPVYJBCKTYRMMX-LBPRGKRZSA-N 1 1 192.306 2.218 10 0 AEAEMO C/C=C/C[N@H+](CC)[C@H]1CCC[C@@H]1C[NH3+] 84214465 572512453 /nfs/dbraw/zinc/51/24/53/572512453.db2.gz CMMMXEOYIRXPLQ-CHULQOHASA-N 1 1 196.338 2.012 10 0 AEAEMO C[C@H]1CCC[C@H](c2ncc(C[NH3+])[nH]2)C1 62820768 572512633 /nfs/dbraw/zinc/51/26/33/572512633.db2.gz ZEVMOIOHDFTUPT-IUCAKERBSA-N 1 1 193.294 2.162 10 0 AEAEMO C[C@H]1CCC[C@@H](c2ncc(C[NH3+])[nH]2)C1 62820770 572512878 /nfs/dbraw/zinc/51/28/78/572512878.db2.gz ZEVMOIOHDFTUPT-DTWKUNHWSA-N 1 1 193.294 2.162 10 0 AEAEMO C/C=C/C[N@@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] 84214796 572512890 /nfs/dbraw/zinc/51/28/90/572512890.db2.gz NOWKNUMLMWOEAK-BLDJZWNYSA-N 1 1 196.338 2.012 10 0 AEAEMO CC(C)[N@H+]1CC[C@H](Cn2cccc2)C1 45136624 572513083 /nfs/dbraw/zinc/51/30/83/572513083.db2.gz YPVYJBCKTYRMMX-GFCCVEGCSA-N 1 1 192.306 2.218 10 0 AEAEMO C[C@H](F)CC[N@@H+](C)[C@H]1CC1(C)C 308045770 572513320 /nfs/dbraw/zinc/51/33/20/572513320.db2.gz PHVADRKZHLXYPR-IUCAKERBSA-N 1 1 173.275 2.465 10 0 AEAEMO Cc1nc(C[NH2+][C@@H]2CC2(C)C)oc1C 45134171 572513517 /nfs/dbraw/zinc/51/35/17/572513517.db2.gz BBVDDXLGVNLRFU-SECBINFHSA-N 1 1 194.278 2.180 10 0 AEAEMO COC(=[NH2+])c1ccc2ncccc2c1 62802496 572514452 /nfs/dbraw/zinc/51/44/52/572514452.db2.gz BBCKEVPEKAPHRN-UHFFFAOYSA-N 1 1 186.214 2.207 10 0 AEAEMO CC1(C)C[C@H]1[NH2+]CC1(N)CCCCC1 45137870 572514918 /nfs/dbraw/zinc/51/49/18/572514918.db2.gz LJXGJYVBSNGXCD-SNVBAGLBSA-N 1 1 196.338 2.036 10 0 AEAEMO C[C@@H]1CCC[C@H](c2ncc(C[NH3+])[nH]2)C1 62820767 572514923 /nfs/dbraw/zinc/51/49/23/572514923.db2.gz ZEVMOIOHDFTUPT-BDAKNGLRSA-N 1 1 193.294 2.162 10 0 AEAEMO C[C@@H]1CCC[C@@H](c2ncc(C[NH3+])[nH]2)C1 62820769 572515530 /nfs/dbraw/zinc/51/55/30/572515530.db2.gz ZEVMOIOHDFTUPT-RKDXNWHRSA-N 1 1 193.294 2.162 10 0 AEAEMO CC1(C)C[C@@H]1[NH2+]CC1(N)CCCCC1 45137867 572515654 /nfs/dbraw/zinc/51/56/54/572515654.db2.gz LJXGJYVBSNGXCD-JTQLQIEISA-N 1 1 196.338 2.036 10 0 AEAEMO C[C@@H](c1ccc2nc[nH]c2c1)[C@@H](C)[NH3+] 74275522 572521033 /nfs/dbraw/zinc/52/10/33/572521033.db2.gz ORDZLZFHOVZBJT-HTQZYQBOSA-N 1 1 189.262 2.014 10 0 AEAEMO CCC1(C)CCN(C(C)(C)C[NH3+])CC1 62952481 572521161 /nfs/dbraw/zinc/52/11/61/572521161.db2.gz PKAOJEBVLFRSPB-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO Cc1nc([C@@H](C)[NH3+])oc1-c1ccco1 74270262 572521716 /nfs/dbraw/zinc/52/17/16/572521716.db2.gz ZUNKHDDMAZESHF-ZCFIWIBFSA-N 1 1 192.218 2.263 10 0 AEAEMO C[C@H]([NH3+])[C@H](C)c1ccc2nc[nH]c2c1 74275531 572521974 /nfs/dbraw/zinc/52/19/74/572521974.db2.gz ORDZLZFHOVZBJT-YUMQZZPRSA-N 1 1 189.262 2.014 10 0 AEAEMO C[C@@H]([NH3+])[C@H](C)c1ccc2nc[nH]c2c1 74275526 572522009 /nfs/dbraw/zinc/52/20/09/572522009.db2.gz ORDZLZFHOVZBJT-JGVFFNPUSA-N 1 1 189.262 2.014 10 0 AEAEMO CCc1[nH+]c2cc(C)c(N)cc2n1C 74275609 572522228 /nfs/dbraw/zinc/52/22/28/572522228.db2.gz CHNQHVDOWQKULZ-UHFFFAOYSA-N 1 1 189.262 2.026 10 0 AEAEMO CC[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@H](C)NC1 62948748 572522293 /nfs/dbraw/zinc/52/22/93/572522293.db2.gz HUCNPPMXWNSUGT-QJPTWQEYSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@H]([NH3+])[C@@H](C)c1ccc2nc[nH]c2c1 74275529 572523122 /nfs/dbraw/zinc/52/31/22/572523122.db2.gz ORDZLZFHOVZBJT-SFYZADRCSA-N 1 1 189.262 2.014 10 0 AEAEMO Cc1nc([C@H](C)[NH3+])oc1-c1ccco1 74270264 572523150 /nfs/dbraw/zinc/52/31/50/572523150.db2.gz ZUNKHDDMAZESHF-LURJTMIESA-N 1 1 192.218 2.263 10 0 AEAEMO CN(C)C(=[NH2+])c1cc2ccccc2o1 62995202 572524926 /nfs/dbraw/zinc/52/49/26/572524926.db2.gz MINMDLIICYICPK-UHFFFAOYSA-N 1 1 188.230 2.320 10 0 AEAEMO CCNC(=[NH2+])c1cc2ccccc2o1 62994585 572526042 /nfs/dbraw/zinc/52/60/42/572526042.db2.gz HOWGKUSFONHNRA-UHFFFAOYSA-N 1 1 188.230 2.368 10 0 AEAEMO CC[C@H]([NH3+])c1cccc2nc(C)[nH]c12 74275686 572526149 /nfs/dbraw/zinc/52/61/49/572526149.db2.gz SMJXFDNGRVMJGE-VIFPVBQESA-N 1 1 189.262 2.281 10 0 AEAEMO C[N@H+]1CCC(C)(C)C[C@@H]2CC(=O)C[C@@H]21 250816108 572527239 /nfs/dbraw/zinc/52/72/39/572527239.db2.gz XBMVOGHVFDXWKI-ONGXEEELSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@@H]([NH3+])c1cccc2nc(C)[nH]c12 74275688 572527670 /nfs/dbraw/zinc/52/76/70/572527670.db2.gz SMJXFDNGRVMJGE-SECBINFHSA-N 1 1 189.262 2.281 10 0 AEAEMO CC[C@@H](CN)[N@H+]1CC[C@H](CC(C)C)C1 307789803 572528433 /nfs/dbraw/zinc/52/84/33/572528433.db2.gz BASFPMPMMVSQSG-NEPJUHHUSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](CN)[N@H+]1CC[C@@H](CC(C)C)C1 307789804 572528993 /nfs/dbraw/zinc/52/89/93/572528993.db2.gz BASFPMPMMVSQSG-NWDGAFQWSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](CN)[N@H+]1CC[C@H](CC(C)C)C1 307789806 572529276 /nfs/dbraw/zinc/52/92/76/572529276.db2.gz BASFPMPMMVSQSG-VXGBXAGGSA-N 1 1 198.354 2.092 10 0 AEAEMO C/C=C\C[N@H+](C)[C@H](C)CC 307790245 572532898 /nfs/dbraw/zinc/53/28/98/572532898.db2.gz QPSYBTRNJJAFPO-WILPJHFFSA-N 1 1 141.258 2.293 10 0 AEAEMO CSCC[N@@H+](C)C/C=C\Cl 307790095 572533051 /nfs/dbraw/zinc/53/30/51/572533051.db2.gz QHJRIMOGLCXGJY-ARJAWSKDSA-N 1 1 179.716 2.034 10 0 AEAEMO C/C=C\C[N@H+](C)[C@@H](C)CC 307790243 572533968 /nfs/dbraw/zinc/53/39/68/572533968.db2.gz QPSYBTRNJJAFPO-PGBBXKAQSA-N 1 1 141.258 2.293 10 0 AEAEMO CC1(C)CCCC[N@H+]1[C@@H]1CC[C@@H](O)C1 250783688 572534155 /nfs/dbraw/zinc/53/41/55/572534155.db2.gz DXWOUOYJSZYDOO-GHMZBOCLSA-N 1 1 197.322 2.164 10 0 AEAEMO CCCCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C 252713792 572534422 /nfs/dbraw/zinc/53/44/22/572534422.db2.gz QFDGQRZZSSLLEY-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCC[NH2+][C@H]1CCN(C)C[C@H]1C 252713792 572534426 /nfs/dbraw/zinc/53/44/26/572534426.db2.gz QFDGQRZZSSLLEY-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CC1(C)CCCC[N@H+]1[C@@H]1CCC[C@H]1N 250793128 572534454 /nfs/dbraw/zinc/53/44/54/572534454.db2.gz KOKUNGCDTIAZPK-GHMZBOCLSA-N 1 1 196.338 2.131 10 0 AEAEMO CC[N@@H+](C)[C@@H](CN)C1CCCCCC1 84328541 572534510 /nfs/dbraw/zinc/53/45/10/572534510.db2.gz OBAMIIQCQLLIJG-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCN(C)[C@@H](C[NH3+])C1CCCCCC1 84328541 572534512 /nfs/dbraw/zinc/53/45/12/572534512.db2.gz OBAMIIQCQLLIJG-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H](C)[C@@H]([NH3+])c1nnc(C(C)C)o1 238295949 572534550 /nfs/dbraw/zinc/53/45/50/572534550.db2.gz XGURJMRENGFDOB-JGVFFNPUSA-N 1 1 197.282 2.239 10 0 AEAEMO CC1(C)CCCC[N@H+]1[C@H]1CC[C@@H](O)C1 250783689 572534591 /nfs/dbraw/zinc/53/45/91/572534591.db2.gz DXWOUOYJSZYDOO-WDEREUQCSA-N 1 1 197.322 2.164 10 0 AEAEMO CCNCC(C)(C)[NH2+]CCC(C)C 313209985 572535294 /nfs/dbraw/zinc/53/52/94/572535294.db2.gz MYLCDNVUAOMLJA-UHFFFAOYSA-N 1 1 186.343 2.010 10 0 AEAEMO CC1(C)CCCC[N@H+]1[C@H]1CCC[C@H]1O 250805766 572535075 /nfs/dbraw/zinc/53/50/75/572535075.db2.gz RBXDGVAYQXACQL-WDEREUQCSA-N 1 1 197.322 2.164 10 0 AEAEMO C[NH2+]CC1(CN(C)C)CCCCCC1 84329987 572535367 /nfs/dbraw/zinc/53/53/67/572535367.db2.gz FTORHTISDTWLJV-UHFFFAOYSA-N 1 1 198.354 2.108 10 0 AEAEMO C/C=C/c1nnc([C@H]([NH3+])[C@@H](C)CC)o1 238296023 572535892 /nfs/dbraw/zinc/53/58/92/572535892.db2.gz BDXJONAITZNBMQ-CNEXKXPGSA-N 1 1 195.266 2.149 10 0 AEAEMO CC[N@@H+](C)[C@H](CN)C1CCCCCC1 84328543 572536405 /nfs/dbraw/zinc/53/64/05/572536405.db2.gz OBAMIIQCQLLIJG-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCN(C)[C@H](C[NH3+])C1CCCCCC1 84328543 572536411 /nfs/dbraw/zinc/53/64/11/572536411.db2.gz OBAMIIQCQLLIJG-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CC1(C)CCCC[N@H+]1[C@@H]1CCC[C@H]1O 250805762 572536457 /nfs/dbraw/zinc/53/64/57/572536457.db2.gz RBXDGVAYQXACQL-GHMZBOCLSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[N@@H+](C)CC1(CO)CCCCCC1 84330325 572536749 /nfs/dbraw/zinc/53/67/49/572536749.db2.gz KSSPLDAMUYRMMU-UHFFFAOYSA-N 1 1 199.338 2.271 10 0 AEAEMO CCCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C 252713793 572536841 /nfs/dbraw/zinc/53/68/41/572536841.db2.gz QFDGQRZZSSLLEY-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCC[NH2+][C@@H]1CCN(C)C[C@H]1C 252713793 572536843 /nfs/dbraw/zinc/53/68/43/572536843.db2.gz QFDGQRZZSSLLEY-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[N@@H+](C)[C@@H](CN)C1CCC(C)CC1 84339253 572537823 /nfs/dbraw/zinc/53/78/23/572537823.db2.gz XHNUKMVAUVLLGB-MCIGGMRASA-N 1 1 198.354 2.092 10 0 AEAEMO CCN(C)[C@@H](C[NH3+])C1CCC(C)CC1 84339253 572537824 /nfs/dbraw/zinc/53/78/24/572537824.db2.gz XHNUKMVAUVLLGB-MCIGGMRASA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](C)C[C@]1(C[NH3+])CCC[C@H](C)C1 84346350 572537913 /nfs/dbraw/zinc/53/79/13/572537913.db2.gz ODQHDCWOROUOOL-NWDGAFQWSA-N 1 1 198.354 2.093 10 0 AEAEMO CC[N@H+](C)C[C@]1(CN)CCC[C@H](C)C1 84346350 572537915 /nfs/dbraw/zinc/53/79/15/572537915.db2.gz ODQHDCWOROUOOL-NWDGAFQWSA-N 1 1 198.354 2.093 10 0 AEAEMO CC[N@@H+](C)C[C@]1(CN)CCC[C@H](C)C1 84346350 572537918 /nfs/dbraw/zinc/53/79/18/572537918.db2.gz ODQHDCWOROUOOL-NWDGAFQWSA-N 1 1 198.354 2.093 10 0 AEAEMO CC[N@@H+](C)[C@H](CN)C1CCC(C)CC1 84339254 572538242 /nfs/dbraw/zinc/53/82/42/572538242.db2.gz XHNUKMVAUVLLGB-HTAVTVPLSA-N 1 1 198.354 2.092 10 0 AEAEMO CCN(C)[C@H](C[NH3+])C1CCC(C)CC1 84339254 572538245 /nfs/dbraw/zinc/53/82/45/572538245.db2.gz XHNUKMVAUVLLGB-HTAVTVPLSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](C)C[C@]1(CO)CCC[C@H](C)C1 84347802 572538493 /nfs/dbraw/zinc/53/84/93/572538493.db2.gz PNZASAYAFXMGAH-RYUDHWBXSA-N 1 1 199.338 2.127 10 0 AEAEMO C[C@H]1C[C@@H](C)C[N@@H+]([C@@H](C)C[C@@H](C)O)C1 84401263 572538521 /nfs/dbraw/zinc/53/85/21/572538521.db2.gz YUJFEZNVNPKUQY-WHOHXGKFSA-N 1 1 199.338 2.124 10 0 AEAEMO CC[N@@H+](C)[C@H](CN)[C@@H]1CCC[C@H](C)C1 84342015 572538786 /nfs/dbraw/zinc/53/87/86/572538786.db2.gz AEIJDNHUOPKLJA-QJPTWQEYSA-N 1 1 198.354 2.092 10 0 AEAEMO CCN(C)[C@H](C[NH3+])[C@@H]1CCC[C@H](C)C1 84342015 572538789 /nfs/dbraw/zinc/53/87/89/572538789.db2.gz AEIJDNHUOPKLJA-QJPTWQEYSA-N 1 1 198.354 2.092 10 0 AEAEMO CCNCC(C)(C)[NH2+]CC(C)(C)C 313213292 572539048 /nfs/dbraw/zinc/53/90/48/572539048.db2.gz SNTUCIYKXIXRFW-UHFFFAOYSA-N 1 1 186.343 2.010 10 0 AEAEMO CC[NH2+]CC(C)(C)NCC(C)(C)C 313213292 572539054 /nfs/dbraw/zinc/53/90/54/572539054.db2.gz SNTUCIYKXIXRFW-UHFFFAOYSA-N 1 1 186.343 2.010 10 0 AEAEMO CC[N@@H+](C)C[C@@]1(C[NH3+])CCC[C@H](C)C1 84346354 572539080 /nfs/dbraw/zinc/53/90/80/572539080.db2.gz ODQHDCWOROUOOL-RYUDHWBXSA-N 1 1 198.354 2.093 10 0 AEAEMO CC[N@H+](C)C[C@@]1(CN)CCC[C@H](C)C1 84346354 572539084 /nfs/dbraw/zinc/53/90/84/572539084.db2.gz ODQHDCWOROUOOL-RYUDHWBXSA-N 1 1 198.354 2.093 10 0 AEAEMO CC[N@@H+](C)C[C@@]1(CN)CCC[C@H](C)C1 84346354 572539086 /nfs/dbraw/zinc/53/90/86/572539086.db2.gz ODQHDCWOROUOOL-RYUDHWBXSA-N 1 1 198.354 2.093 10 0 AEAEMO CC[N@H+](C)CC1(CN)CCC(C)CC1 84339839 572539550 /nfs/dbraw/zinc/53/95/50/572539550.db2.gz KJMXONDTDQAGKW-UHFFFAOYSA-N 1 1 198.354 2.093 10 0 AEAEMO CC[N@@H+](C)CC1(CN)CCC(C)CC1 84339839 572539553 /nfs/dbraw/zinc/53/95/53/572539553.db2.gz KJMXONDTDQAGKW-UHFFFAOYSA-N 1 1 198.354 2.093 10 0 AEAEMO C[C@H](N)C[N@H+]1CCCC[C@H]1C(C)(C)C 251072171 572540248 /nfs/dbraw/zinc/54/02/48/572540248.db2.gz FQYTXQJFPURTPW-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]([NH3+])CN1CCCC[C@H]1C(C)(C)C 251072171 572540251 /nfs/dbraw/zinc/54/02/51/572540251.db2.gz FQYTXQJFPURTPW-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H](N)C[N@H+]1CCCC[C@H]1C(C)(C)C 251072167 572540263 /nfs/dbraw/zinc/54/02/63/572540263.db2.gz FQYTXQJFPURTPW-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]([NH3+])CN1CCCC[C@H]1C(C)(C)C 251072167 572540266 /nfs/dbraw/zinc/54/02/66/572540266.db2.gz FQYTXQJFPURTPW-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO Cc1ncoc1[C@@H]([NH3+])c1ccccc1 74277757 572540588 /nfs/dbraw/zinc/54/05/88/572540588.db2.gz VLRIVVUGJHGMDJ-JTQLQIEISA-N 1 1 188.230 2.031 10 0 AEAEMO Cc1ncoc1[C@H]([NH3+])c1ccccc1 74277756 572541900 /nfs/dbraw/zinc/54/19/00/572541900.db2.gz VLRIVVUGJHGMDJ-SNVBAGLBSA-N 1 1 188.230 2.031 10 0 AEAEMO C/C=C\C[N@H+](CC)C(C)C 307796573 572542761 /nfs/dbraw/zinc/54/27/61/572542761.db2.gz UNRQUXNAPVWJGN-ALCCZGGFSA-N 1 1 141.258 2.293 10 0 AEAEMO CC[C@H]1CC[C@H](CCN(C)C)[N@H+](C)C1 238309548 572546397 /nfs/dbraw/zinc/54/63/97/572546397.db2.gz ZPEWXDISMPZYFM-NWDGAFQWSA-N 1 1 198.354 2.059 10 0 AEAEMO CC[C@H]1CC[C@H](CCN(C)C)[N@@H+](C)C1 238309548 572546401 /nfs/dbraw/zinc/54/64/01/572546401.db2.gz ZPEWXDISMPZYFM-NWDGAFQWSA-N 1 1 198.354 2.059 10 0 AEAEMO CC[C@H](C)C(=O)C[N@H+]1CCC[C@@H]1C 87535372 572550388 /nfs/dbraw/zinc/55/03/88/572550388.db2.gz QNFRZSNLBPZHGI-UWVGGRQHSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC[C@@H]1C[C@@H](N)C[N@H+]([C@H](C)CC)C1 251161830 572547954 /nfs/dbraw/zinc/54/79/54/572547954.db2.gz OOHGXWSRLWPZAF-IJLUTSLNSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H]1C[C@@H]([NH3+])CN([C@H](C)CC)C1 251161830 572547957 /nfs/dbraw/zinc/54/79/57/572547957.db2.gz OOHGXWSRLWPZAF-IJLUTSLNSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](CC(C)C)c1nnc(C[NH3+])o1 308059565 572548434 /nfs/dbraw/zinc/54/84/34/572548434.db2.gz RHWPQXQTFJTYNV-QMMMGPOBSA-N 1 1 197.282 2.068 10 0 AEAEMO c1ncc(C[NH2+]Cc2ccsc2)o1 84415106 572548469 /nfs/dbraw/zinc/54/84/69/572548469.db2.gz NHAAGPCCBACEIF-UHFFFAOYSA-N 1 1 194.259 2.026 10 0 AEAEMO CCC[C@@H]1C[C@H](N)C[N@H+]([C@H](C)CC)C1 251161831 572549202 /nfs/dbraw/zinc/54/92/02/572549202.db2.gz OOHGXWSRLWPZAF-UTUOFQBUSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H]1C[C@H]([NH3+])CN([C@H](C)CC)C1 251161831 572549207 /nfs/dbraw/zinc/54/92/07/572549207.db2.gz OOHGXWSRLWPZAF-UTUOFQBUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](CC(C)C)c1nnc(C[NH3+])o1 308059564 572549446 /nfs/dbraw/zinc/54/94/46/572549446.db2.gz RHWPQXQTFJTYNV-MRVPVSSYSA-N 1 1 197.282 2.068 10 0 AEAEMO CC(C)CCCCCC[NH2+]C1CNC1 84416634 572550056 /nfs/dbraw/zinc/55/00/56/572550056.db2.gz RGZOWAORXTZYRL-UHFFFAOYSA-N 1 1 198.354 2.154 10 0 AEAEMO CC[C@@H](C)C(=O)C[N@H+]1CCC[C@H](C)C1 87535180 572550340 /nfs/dbraw/zinc/55/03/40/572550340.db2.gz KXVUMNCNWCQSNH-WDEREUQCSA-N 1 1 197.322 2.334 10 0 AEAEMO CC[C@H](C)C(=O)C[N@@H+](C)[C@@H](C)C1CC1 87535318 572550405 /nfs/dbraw/zinc/55/04/05/572550405.db2.gz GSHDCLPWXPFFMM-UWVGGRQHSA-N 1 1 197.322 2.332 10 0 AEAEMO CCC[N@@H+](CC(=O)[C@H](C)CC)C1CC1 87535267 572550584 /nfs/dbraw/zinc/55/05/84/572550584.db2.gz LLFUXPCXDDBNAF-SNVBAGLBSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@@H](C)C(=O)C[N@@H+](CC)C(C)C 87535245 572552472 /nfs/dbraw/zinc/55/24/72/572552472.db2.gz OUNRLIGXBCTIDH-SNVBAGLBSA-N 1 1 185.311 2.332 10 0 AEAEMO CC[C@H](C)C(=O)C[N@@H+](CC)C1CC1 87535240 572550740 /nfs/dbraw/zinc/55/07/40/572550740.db2.gz TWGMJZXRFUADLB-VIFPVBQESA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@H](C)[C@@H](C)[N@H+]1C[C@H](C)N[C@H](C)C1 69627425 572550754 /nfs/dbraw/zinc/55/07/54/572550754.db2.gz JKKAPOCOMUCNQF-NNYUYHANSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@@H](C)C(=O)C[N@H+]1CCC[C@@H]1C 87535370 572550981 /nfs/dbraw/zinc/55/09/81/572550981.db2.gz QNFRZSNLBPZHGI-ZJUUUORDSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@@H](C)C(=O)C[N@@H+](C)CC1CCC1 87535926 572551102 /nfs/dbraw/zinc/55/11/02/572551102.db2.gz VHKJGYJSZOZQRC-SNVBAGLBSA-N 1 1 197.322 2.334 10 0 AEAEMO CC[C@@H](C)C(=O)C[N@H+]1CCC(C)(C)C1 87536210 572551235 /nfs/dbraw/zinc/55/12/35/572551235.db2.gz BMPRQGXMRLJYGA-SNVBAGLBSA-N 1 1 197.322 2.334 10 0 AEAEMO CC[C@H](C)C(=O)C[N@H+]1CCC[C@H](C)C1 87535182 572551304 /nfs/dbraw/zinc/55/13/04/572551304.db2.gz KXVUMNCNWCQSNH-QWRGUYRKSA-N 1 1 197.322 2.334 10 0 AEAEMO CC[C@H](C)C(=O)C[N@@H+](C)C1CCCC1 87535257 572551433 /nfs/dbraw/zinc/55/14/33/572551433.db2.gz MRDBZKXNFDRDMV-JTQLQIEISA-N 1 1 197.322 2.476 10 0 AEAEMO C[N@H+]1CCC[C@]2(CCCCO2)CC1 74284432 572551471 /nfs/dbraw/zinc/55/14/71/572551471.db2.gz RJXXFBBLPKYLEB-LLVKDONJSA-N 1 1 183.295 2.041 10 0 AEAEMO CC[C@@H](C)C(=O)C[N@@H+](C)[C@@H](C)C1CC1 87535316 572551522 /nfs/dbraw/zinc/55/15/22/572551522.db2.gz GSHDCLPWXPFFMM-ZJUUUORDSA-N 1 1 197.322 2.332 10 0 AEAEMO CC[C@H](C)C(=O)C[N@H+]1CCC(C)(C)C1 87536212 572551769 /nfs/dbraw/zinc/55/17/69/572551769.db2.gz BMPRQGXMRLJYGA-JTQLQIEISA-N 1 1 197.322 2.334 10 0 AEAEMO CCC[N@@H+](CC)CC(=O)[C@H](C)CC 87535260 572551860 /nfs/dbraw/zinc/55/18/60/572551860.db2.gz KSDGZBVDLGAFLC-SNVBAGLBSA-N 1 1 185.311 2.334 10 0 AEAEMO CC[C@@H](C)[C@H](C)[N@H+]1C[C@H](C)N[C@H](C)C1 69627430 572552197 /nfs/dbraw/zinc/55/21/97/572552197.db2.gz JKKAPOCOMUCNQF-WYUUTHIRSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H](C)C(=O)C[N@H+]1CCCC1(C)C 87535983 572552205 /nfs/dbraw/zinc/55/22/05/572552205.db2.gz ARVWMEUWJLDIIB-JTQLQIEISA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@@H](C)C(=O)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 87536170 572552255 /nfs/dbraw/zinc/55/22/55/572552255.db2.gz GLUOYUBTQNZLQF-MXWKQRLJSA-N 1 1 197.322 2.189 10 0 AEAEMO CCCC[N@@H+](C)CC(=O)[C@@H](C)CC 87535100 572552309 /nfs/dbraw/zinc/55/23/09/572552309.db2.gz PUHBWNLTZDZAAY-JTQLQIEISA-N 1 1 185.311 2.334 10 0 AEAEMO CC[C@H](C)C(=O)C[N@@H+](C)CC1CCC1 87535928 572552405 /nfs/dbraw/zinc/55/24/05/572552405.db2.gz VHKJGYJSZOZQRC-JTQLQIEISA-N 1 1 197.322 2.334 10 0 AEAEMO CC[C@@H](C)C(=O)C[N@H+]1CCCC1(C)C 87535981 572552512 /nfs/dbraw/zinc/55/25/12/572552512.db2.gz ARVWMEUWJLDIIB-SNVBAGLBSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@H](C)C(=O)C[N@H+]1CCC[C@H]1CC 87535374 572552566 /nfs/dbraw/zinc/55/25/66/572552566.db2.gz XRGJOPAUKJIXEH-WDEREUQCSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC[N@@H+](CC)CC(=O)[C@@H](C)CC 87535258 572552652 /nfs/dbraw/zinc/55/26/52/572552652.db2.gz KSDGZBVDLGAFLC-JTQLQIEISA-N 1 1 185.311 2.334 10 0 AEAEMO CC[C@@H](C)[C@@H](C)[N@H+]1C[C@H](C)N[C@H](C)C1 69627423 572552716 /nfs/dbraw/zinc/55/27/16/572552716.db2.gz JKKAPOCOMUCNQF-WISYIIOYSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@@H](C)C(=O)C[N@@H+](CC)CC1CC1 87536062 572552797 /nfs/dbraw/zinc/55/27/97/572552797.db2.gz FVOFJXKUKRGIRA-SNVBAGLBSA-N 1 1 197.322 2.334 10 0 AEAEMO CC[C@@H](C(C)C)[N@H+]1C[C@H](C)N[C@H](C)C1 69627545 572552832 /nfs/dbraw/zinc/55/28/32/572552832.db2.gz OLRKJXOKARADDL-TUAOUCFPSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H](C)C(=O)C[N@H+]1CCCC[C@@H]1C 87535166 572553014 /nfs/dbraw/zinc/55/30/14/572553014.db2.gz ZQJXYWHPJPCPCF-QWRGUYRKSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@@H](C)C(=O)Cn1c[nH+]c(C)c1C 87536429 572553415 /nfs/dbraw/zinc/55/34/15/572553415.db2.gz IOBNORNKOCHLQG-MRVPVSSYSA-N 1 1 194.278 2.115 10 0 AEAEMO CC[C@@H](C)C(=O)C[N@@H+](C)CC(C)C 87535272 572553076 /nfs/dbraw/zinc/55/30/76/572553076.db2.gz WDYSICPIJQDIBT-SNVBAGLBSA-N 1 1 185.311 2.189 10 0 AEAEMO C[C@H]1C[N@H+](C2CCCCC2)C[C@@H](C)N1 69628099 572553143 /nfs/dbraw/zinc/55/31/43/572553143.db2.gz XCWJKEZTXGASCS-PHIMTYICSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@H+]1C[C@H](C)N[C@H](C)C1 69627433 572553372 /nfs/dbraw/zinc/55/33/72/572553372.db2.gz JKKAPOCOMUCNQF-YFKTTZPYSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H](C)[N@@H+](C)CC(=O)[C@H](C)CC 87535276 572554192 /nfs/dbraw/zinc/55/41/92/572554192.db2.gz YSPVLTCCPUYNFM-ZJUUUORDSA-N 1 1 185.311 2.332 10 0 AEAEMO CC[C@H](C)C(=O)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 87536172 572553425 /nfs/dbraw/zinc/55/34/25/572553425.db2.gz GLUOYUBTQNZLQF-GARJFASQSA-N 1 1 197.322 2.189 10 0 AEAEMO CC[C@H](C)C(=O)C[N@H+](C)[C@@H](C)CC 87535278 572553451 /nfs/dbraw/zinc/55/34/51/572553451.db2.gz YSPVLTCCPUYNFM-UWVGGRQHSA-N 1 1 185.311 2.332 10 0 AEAEMO CC[C@H](C)C(=O)C[N@@H+](C)C[C@@H]1C[C@@H]1C 87536060 572553481 /nfs/dbraw/zinc/55/34/81/572553481.db2.gz ZFTKBIWAFRUFQJ-DCAQKATOSA-N 1 1 197.322 2.189 10 0 AEAEMO CC[C@@H](C)C(=O)C[N@H+]1CCCC[C@@H]1C 87535163 572553530 /nfs/dbraw/zinc/55/35/30/572553530.db2.gz ZQJXYWHPJPCPCF-MNOVXSKESA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@H](C(C)C)[N@H+]1C[C@H](C)N[C@H](C)C1 69627548 572553966 /nfs/dbraw/zinc/55/39/66/572553966.db2.gz OLRKJXOKARADDL-GRYCIOLGSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H](C)C(=O)Cn1c[nH+]c(C)c1C 87536431 572554023 /nfs/dbraw/zinc/55/40/23/572554023.db2.gz IOBNORNKOCHLQG-QMMMGPOBSA-N 1 1 194.278 2.115 10 0 AEAEMO CC[C@@H](C)C(=O)C[N@@H+](CC)C1CC1 87535237 572554035 /nfs/dbraw/zinc/55/40/35/572554035.db2.gz TWGMJZXRFUADLB-SECBINFHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@@H](C)C(=O)C[N@@H+](C)C[C@@H]1C[C@@H]1C 87536059 572554129 /nfs/dbraw/zinc/55/41/29/572554129.db2.gz ZFTKBIWAFRUFQJ-VWYCJHECSA-N 1 1 197.322 2.189 10 0 AEAEMO CCC[N@@H+](CC(=O)[C@@H](C)CC)C1CC1 87535266 572554176 /nfs/dbraw/zinc/55/41/76/572554176.db2.gz LLFUXPCXDDBNAF-JTQLQIEISA-N 1 1 197.322 2.476 10 0 AEAEMO CCCC[N@@H+](C)CC(=O)[C@H](C)CC 87535101 572554348 /nfs/dbraw/zinc/55/43/48/572554348.db2.gz PUHBWNLTZDZAAY-SNVBAGLBSA-N 1 1 185.311 2.334 10 0 AEAEMO CC[C@H](C)C(=O)C[N@@H+](CC)C(C)C 87535247 572554382 /nfs/dbraw/zinc/55/43/82/572554382.db2.gz OUNRLIGXBCTIDH-JTQLQIEISA-N 1 1 185.311 2.332 10 0 AEAEMO CC[C@H](C)C(=O)C[N@@H+](C)CC(C)C 87535274 572554404 /nfs/dbraw/zinc/55/44/04/572554404.db2.gz WDYSICPIJQDIBT-JTQLQIEISA-N 1 1 185.311 2.189 10 0 AEAEMO CC[C@H](C)C(=O)C[N@H+]1CCC[C@@H]1CC 87535376 572554428 /nfs/dbraw/zinc/55/44/28/572554428.db2.gz XRGJOPAUKJIXEH-QWRGUYRKSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@@H](C)C(=O)C[N@@H+](C)C1CCCC1 87535255 572554667 /nfs/dbraw/zinc/55/46/67/572554667.db2.gz MRDBZKXNFDRDMV-SNVBAGLBSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@@H](C)[C@H](O)C[N@H+]1CCCC[C@@H]1C 87537645 572555737 /nfs/dbraw/zinc/55/57/37/572555737.db2.gz KDZSXQHHDIREQQ-GRYCIOLGSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCC[N@@H+](C)C[C@@H](O)[C@@H](C)CC 87537822 572555180 /nfs/dbraw/zinc/55/51/80/572555180.db2.gz KTPGSPHNUVYUBD-WDEREUQCSA-N 1 1 187.327 2.125 10 0 AEAEMO CC[C@H](C)[C@@H](O)C[N@H+]1CCC[C@@H]1CC 87537527 572555233 /nfs/dbraw/zinc/55/52/33/572555233.db2.gz JOSODOCKIDXUJH-SRVKXCTJSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](C)[N@H+](C)C[C@@H](O)[C@H](C)CC 87537893 572555619 /nfs/dbraw/zinc/55/56/19/572555619.db2.gz TUZNPQKLDTWYRY-OUAUKWLOSA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@@H](C)[C@@H](O)C[N@@H+](C)[C@@H](C)C1CC1 87538135 572555651 /nfs/dbraw/zinc/55/56/51/572555651.db2.gz CGXMMDCKEAGTJN-SCVCMEIPSA-N 1 1 199.338 2.124 10 0 AEAEMO CC[C@H](C)[C@@H](O)C[N@H+]1CCCC[C@@H]1C 87537650 572555666 /nfs/dbraw/zinc/55/56/66/572555666.db2.gz KDZSXQHHDIREQQ-SRVKXCTJSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](C)[C@H](O)C[N@H+]1CCC(C)(C)C1 87538918 572555770 /nfs/dbraw/zinc/55/57/70/572555770.db2.gz SNIOCXRKGIOOQX-WDEREUQCSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](C)[C@@H](O)C[N@@H+](CC)C(C)C 87537962 572555837 /nfs/dbraw/zinc/55/58/37/572555837.db2.gz WPTOXSUCDHECSN-QWRGUYRKSA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@@H](C)[C@@H](O)C[N@H+]1CCCC[C@@H]1C 87537648 572557739 /nfs/dbraw/zinc/55/77/39/572557739.db2.gz KDZSXQHHDIREQQ-WOPDTQHZSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](C)[C@@H](O)C[N@H+]1CCC[C@H]1CC 87537524 572555924 /nfs/dbraw/zinc/55/59/24/572555924.db2.gz JOSODOCKIDXUJH-TUAOUCFPSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H](C)[C@@H](O)C[N@H+]1CCC(C)(C)C1 87538919 572556012 /nfs/dbraw/zinc/55/60/12/572556012.db2.gz SNIOCXRKGIOOQX-MNOVXSKESA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](C)[C@H](O)C[N@@H+](C)C1CCCC1 87537969 572556120 /nfs/dbraw/zinc/55/61/20/572556120.db2.gz QTVKLWULRRHSQN-CMPLNLGQSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](C)[C@@H](O)C[N@H+]1CCCC1(C)C 87538690 572556132 /nfs/dbraw/zinc/55/61/32/572556132.db2.gz KASRSEFBVKZTSS-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](C)[C@H](O)C[N@H+]1CCCC[C@@H]1C 87537647 572556162 /nfs/dbraw/zinc/55/61/62/572556162.db2.gz KDZSXQHHDIREQQ-SDDRHHMPSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](C)[C@H](O)C[N@@H+](C)[C@@H](C)CC 87537894 572556260 /nfs/dbraw/zinc/55/62/60/572556260.db2.gz TUZNPQKLDTWYRY-GARJFASQSA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@@H](C)[C@H](O)C[N@@H+](CC)C(C)C 87537956 572556318 /nfs/dbraw/zinc/55/63/18/572556318.db2.gz WPTOXSUCDHECSN-GHMZBOCLSA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@H](C)[C@@H](O)C[N@@H+](C)CC1CCC1 87538612 572556366 /nfs/dbraw/zinc/55/63/66/572556366.db2.gz NYOZFVLSVZFGLG-JQWIXIFHSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H](C)[C@H](O)C[N@H+]1CCCC1(C)C 87538687 572556397 /nfs/dbraw/zinc/55/63/97/572556397.db2.gz KASRSEFBVKZTSS-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCCC[N@@H+](C)C[C@H](O)C(C)C 87538050 572556422 /nfs/dbraw/zinc/55/64/22/572556422.db2.gz VZNYJWKCCUJXEB-NSHDSACASA-N 1 1 187.327 2.125 10 0 AEAEMO CCCCC[N@@H+](C)C[C@@H](O)C(C)C 87538052 572556563 /nfs/dbraw/zinc/55/65/63/572556563.db2.gz VZNYJWKCCUJXEB-LLVKDONJSA-N 1 1 187.327 2.125 10 0 AEAEMO CCC(CC)[N@@H+](C)C[C@H](O)C(C)C 87538173 572557754 /nfs/dbraw/zinc/55/77/54/572557754.db2.gz OEVLQEFQYTXUJM-NSHDSACASA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@@H](C)[C@@H](O)C[N@@H+](C)C1CCCC1 87537971 572556663 /nfs/dbraw/zinc/55/66/63/572556663.db2.gz QTVKLWULRRHSQN-PWSUYJOCSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](C)[C@H](O)C[N@@H+](C)[C@@H](C)C1CC1 87538133 572556693 /nfs/dbraw/zinc/55/66/93/572556693.db2.gz CGXMMDCKEAGTJN-JBLDHEPKSA-N 1 1 199.338 2.124 10 0 AEAEMO CC[C@H](C)[C@@H](O)C[N@@H+](C)[C@@H](C)CC 87537898 572556738 /nfs/dbraw/zinc/55/67/38/572556738.db2.gz TUZNPQKLDTWYRY-DCAQKATOSA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@H](C)[C@H](O)C[N@@H+](CC)C(C)C 87537958 572556781 /nfs/dbraw/zinc/55/67/81/572556781.db2.gz WPTOXSUCDHECSN-WDEREUQCSA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@H](C)[C@@H](O)C[N@H+]1CCC(C)(C)C1 87538920 572556800 /nfs/dbraw/zinc/55/68/00/572556800.db2.gz SNIOCXRKGIOOQX-QWRGUYRKSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H](C)[C@@H](O)C[N@H+]1CCCC1(C)C 87538689 572556877 /nfs/dbraw/zinc/55/68/77/572556877.db2.gz KASRSEFBVKZTSS-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](C)[C@@H](O)C[N@@H+](C)[C@@H](C)C1CC1 87538136 572557056 /nfs/dbraw/zinc/55/70/56/572557056.db2.gz CGXMMDCKEAGTJN-NHCYSSNCSA-N 1 1 199.338 2.124 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)CC1CC(O)C1 84453872 572557092 /nfs/dbraw/zinc/55/70/92/572557092.db2.gz GMZDCASRNMRRDM-UNXYVOJBSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H](C)[C@H](O)C[N@@H+](CC)CC1CC1 87538772 572557110 /nfs/dbraw/zinc/55/71/10/572557110.db2.gz ADUWZIMVFFZSLU-ZYHUDNBSSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[N@@H+](CC)C[C@@H](O)[C@@H](C)CC 87538025 572557220 /nfs/dbraw/zinc/55/72/20/572557220.db2.gz MKGAKXGYJHEJRT-WDEREUQCSA-N 1 1 187.327 2.125 10 0 AEAEMO CC(C)[C@@H](O)C[N@H+]1C[C@@H](C)CC[C@@H]1C 87538863 572557245 /nfs/dbraw/zinc/55/72/45/572557245.db2.gz AUVCRDWMRDQIQY-SRVKXCTJSA-N 1 1 199.338 2.124 10 0 AEAEMO CC[C@@H](C)[C@H](O)C[N@@H+](C)C1CCCC1 87537967 572557288 /nfs/dbraw/zinc/55/72/88/572557288.db2.gz QTVKLWULRRHSQN-ZYHUDNBSSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H](C)[C@H](O)C[N@@H+](C)[C@@H](C)C1CC1 87538131 572557857 /nfs/dbraw/zinc/55/78/57/572557857.db2.gz CGXMMDCKEAGTJN-JFGNBEQYSA-N 1 1 199.338 2.124 10 0 AEAEMO CCC[N@@H+](C[C@@H](O)[C@@H](C)CC)C1CC1 87538032 572557386 /nfs/dbraw/zinc/55/73/86/572557386.db2.gz GLLFLLIDMQQEPC-CMPLNLGQSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](C)[C@@H](O)C[N@H+]1CCC[C@H](C)C1 87537695 572557889 /nfs/dbraw/zinc/55/78/89/572557889.db2.gz PJULKAWAWNCSOG-SRVKXCTJSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](C)[N@H+](C)C[C@H](O)[C@H](C)CC 87537896 572557462 /nfs/dbraw/zinc/55/74/62/572557462.db2.gz TUZNPQKLDTWYRY-VWYCJHECSA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@H](C)[C@@H](O)C[N@@H+](CC)CC1CC1 87538775 572557529 /nfs/dbraw/zinc/55/75/29/572557529.db2.gz ADUWZIMVFFZSLU-JQWIXIFHSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](C)[C@@H](O)C[N@@H+](C)C1CCCC1 87537973 572557552 /nfs/dbraw/zinc/55/75/52/572557552.db2.gz QTVKLWULRRHSQN-JQWIXIFHSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](C)[C@H](O)C[N@H+]1CCC[C@H](C)C1 87537691 572557600 /nfs/dbraw/zinc/55/76/00/572557600.db2.gz PJULKAWAWNCSOG-SDDRHHMPSA-N 1 1 199.338 2.125 10 0 AEAEMO CCCC[N@@H+](C)C[C@H](O)[C@@H](C)CC 87537820 572557636 /nfs/dbraw/zinc/55/76/36/572557636.db2.gz KTPGSPHNUVYUBD-QWRGUYRKSA-N 1 1 187.327 2.125 10 0 AEAEMO CC[C@@H](C)[C@@H](O)C[N@@H+](CC)C(C)C 87537960 572557656 /nfs/dbraw/zinc/55/76/56/572557656.db2.gz WPTOXSUCDHECSN-MNOVXSKESA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@H](C)[C@H](O)C[N@H+]1CCCC1(C)C 87538688 572557662 /nfs/dbraw/zinc/55/76/62/572557662.db2.gz KASRSEFBVKZTSS-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)C[C@@H]1CC[N@H+](C(C)(C)CN)C1 307809330 572558102 /nfs/dbraw/zinc/55/81/02/572558102.db2.gz IWNMTRWIAVIWBE-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[N@@H+](C[C@H](O)[C@@H](C)CC)C1CC1 87538030 572558224 /nfs/dbraw/zinc/55/82/24/572558224.db2.gz GLLFLLIDMQQEPC-JQWIXIFHSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H](C)[C@@H](O)C[N@@H+](C)CC1CCC1 87538611 572558220 /nfs/dbraw/zinc/55/82/20/572558220.db2.gz NYOZFVLSVZFGLG-PWSUYJOCSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H](C)[C@H](O)C[N@@H+](C)CC1CCC1 87538609 572558368 /nfs/dbraw/zinc/55/83/68/572558368.db2.gz NYOZFVLSVZFGLG-ZYHUDNBSSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H](C)[C@H](O)C[N@H+]1CCC(C)(C)C1 87538917 572558392 /nfs/dbraw/zinc/55/83/92/572558392.db2.gz SNIOCXRKGIOOQX-GHMZBOCLSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC(CC)[N@@H+](C)C[C@@H](O)C(C)C 87538174 572558412 /nfs/dbraw/zinc/55/84/12/572558412.db2.gz OEVLQEFQYTXUJM-LLVKDONJSA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@@H](C)[C@@H](O)C[N@@H+](CC)CC1CC1 87538774 572558418 /nfs/dbraw/zinc/55/84/18/572558418.db2.gz ADUWZIMVFFZSLU-PWSUYJOCSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](C)[C@H](O)C[N@@H+](C)CC1CCC1 87538610 572558474 /nfs/dbraw/zinc/55/84/74/572558474.db2.gz NYOZFVLSVZFGLG-CMPLNLGQSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](C)[C@H](O)C[N@@H+](CC)CC1CC1 87538773 572558502 /nfs/dbraw/zinc/55/85/02/572558502.db2.gz ADUWZIMVFFZSLU-CMPLNLGQSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[N@@H+](CC)C[C@H](O)[C@@H](C)CC 87538022 572558568 /nfs/dbraw/zinc/55/85/68/572558568.db2.gz MKGAKXGYJHEJRT-QWRGUYRKSA-N 1 1 187.327 2.125 10 0 AEAEMO C[C@@H]1CC[C@H]([N@@H+]2CCC(=O)C2)[C@H](C)C1 69676276 572558723 /nfs/dbraw/zinc/55/87/23/572558723.db2.gz BJEOOGXUBXWAAP-FOGDFJRCSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@@H]1CC[C@H]([N@H+]2CCC(=O)C2)[C@H](C)C1 69676276 572558727 /nfs/dbraw/zinc/55/87/27/572558727.db2.gz BJEOOGXUBXWAAP-FOGDFJRCSA-N 1 1 195.306 2.086 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)CC1CC(O)C1 84453870 572559124 /nfs/dbraw/zinc/55/91/24/572559124.db2.gz GMZDCASRNMRRDM-VOMCLLRMSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)C[C@H]1CC[N@H+](C(C)(C)CN)C1 307809329 572559126 /nfs/dbraw/zinc/55/91/26/572559126.db2.gz IWNMTRWIAVIWBE-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCCCC[N@@H+](C)CC1CC(O)C1 84453638 572559272 /nfs/dbraw/zinc/55/92/72/572559272.db2.gz FDHZLDMAKWKOKM-UHFFFAOYSA-N 1 1 199.338 2.269 10 0 AEAEMO C[C@@H]1CC[C@@H]([N@@H+]2CCC(=O)C2)[C@H](C)C1 69676283 572559691 /nfs/dbraw/zinc/55/96/91/572559691.db2.gz BJEOOGXUBXWAAP-CKYFFXLPSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@@H]1CC[C@@H]([N@H+]2CCC(=O)C2)[C@H](C)C1 69676283 572559696 /nfs/dbraw/zinc/55/96/96/572559696.db2.gz BJEOOGXUBXWAAP-CKYFFXLPSA-N 1 1 195.306 2.086 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](N)C1 69718415 572561468 /nfs/dbraw/zinc/56/14/68/572561468.db2.gz SZICOYQRJLXGRP-WOPDTQHZSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@H](C)N1CC[C@@H](C)[C@@H]([NH3+])C1 69718415 572561472 /nfs/dbraw/zinc/56/14/72/572561472.db2.gz SZICOYQRJLXGRP-WOPDTQHZSA-N 1 1 198.354 2.090 10 0 AEAEMO CNC[C@@H](C)[N@@H+]1CCCC[C@H]1C(C)C 251299403 572562293 /nfs/dbraw/zinc/56/22/93/572562293.db2.gz HRSXBKUSKDVNHU-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CNC[C@@H](C)[N@H+]1CCCC[C@H]1C(C)C 251299403 572562294 /nfs/dbraw/zinc/56/22/94/572562294.db2.gz HRSXBKUSKDVNHU-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CC[C@H](C)[C@@H](N)C1 69718417 572562463 /nfs/dbraw/zinc/56/24/63/572562463.db2.gz SZICOYQRJLXGRP-SRVKXCTJSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@H](C)N1CC[C@H](C)[C@@H]([NH3+])C1 69718417 572562467 /nfs/dbraw/zinc/56/24/67/572562467.db2.gz SZICOYQRJLXGRP-SRVKXCTJSA-N 1 1 198.354 2.090 10 0 AEAEMO C[NH2+][C@H](CN1CCCC1(C)C)C(C)C 87530184 572562501 /nfs/dbraw/zinc/56/25/01/572562501.db2.gz XAYPQRACXOGOPY-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@H](CN1CCC[C@@H]1C)[NH2+]C 87529101 572562635 /nfs/dbraw/zinc/56/26/35/572562635.db2.gz NHUOXFLTHSEGGB-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CNC[C@@H](C)[N@@H+]1CCCC[C@@H]1C(C)C 251299405 572563440 /nfs/dbraw/zinc/56/34/40/572563440.db2.gz HRSXBKUSKDVNHU-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CNC[C@@H](C)[N@H+]1CCCC[C@@H]1C(C)C 251299405 572563444 /nfs/dbraw/zinc/56/34/44/572563444.db2.gz HRSXBKUSKDVNHU-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[C@@H]1[NH3+] 53867002 572563588 /nfs/dbraw/zinc/56/35/88/572563588.db2.gz QTZDWEXUNSVOSI-WOPDTQHZSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@H+]1CC[C@H](C)[C@H](N)C1 69718370 572563798 /nfs/dbraw/zinc/56/37/98/572563798.db2.gz AOFOQKXIUHJLFF-FIQHERPVSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@H](C)[C@H](C)N1CC[C@H](C)[C@H]([NH3+])C1 69718370 572563802 /nfs/dbraw/zinc/56/38/02/572563802.db2.gz AOFOQKXIUHJLFF-FIQHERPVSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[NH2+][C@H](CN1CCC[C@@H]1C)C(C)C 87529106 572564638 /nfs/dbraw/zinc/56/46/38/572564638.db2.gz QCDRWTRNRFJCHF-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CCCN1C[C@H]([NH2+]C)C(C)C 87529126 572565655 /nfs/dbraw/zinc/56/56/55/572565655.db2.gz ZBBKPWGMEXNGAS-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CCCN1C[C@H]([NH2+]C)C(C)C 87529128 572564764 /nfs/dbraw/zinc/56/47/64/572564764.db2.gz ZBBKPWGMEXNGAS-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@@H](CN1CCC[C@@H]1C)[NH2+]C 87529093 572565049 /nfs/dbraw/zinc/56/50/49/572565049.db2.gz NHUOXFLTHSEGGB-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO C[NH2+][C@@H](CN1CCCC1(C)C)C(C)C 87530187 572566423 /nfs/dbraw/zinc/56/64/23/572566423.db2.gz XAYPQRACXOGOPY-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)=CC[N@@H+]1[C@@H](C)CCC[C@H]1CN 69722877 572565410 /nfs/dbraw/zinc/56/54/10/572565410.db2.gz ZVLNXNQOSBCIQR-RYUDHWBXSA-N 1 1 196.338 2.154 10 0 AEAEMO CC(C)=CC[N@H+]1[C@@H](C)CCC[C@H]1CN 69722877 572565416 /nfs/dbraw/zinc/56/54/16/572565416.db2.gz ZVLNXNQOSBCIQR-RYUDHWBXSA-N 1 1 196.338 2.154 10 0 AEAEMO CC(C)[C@H]1CCCCC[N@H+]1[C@H](C)CN 251344878 572565609 /nfs/dbraw/zinc/56/56/09/572565609.db2.gz QZAWNRTWJBBUNX-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)[C@@H](CN1CCC[C@@H]1C)[NH2+]C 87529090 572565860 /nfs/dbraw/zinc/56/58/60/572565860.db2.gz NHUOXFLTHSEGGB-GRYCIOLGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCC[C@@H]1[NH3+] 53867901 572566023 /nfs/dbraw/zinc/56/60/23/572566023.db2.gz MNQLEFBRXNGZAN-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)[C@H](CN1CCC[C@@H]1C)[NH2+]C 87529096 572566046 /nfs/dbraw/zinc/56/60/46/572566046.db2.gz NHUOXFLTHSEGGB-WOPDTQHZSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[NH2+][C@@H](CN1CCC[C@@H]1C)C(C)C 87529102 572566146 /nfs/dbraw/zinc/56/61/46/572566146.db2.gz QCDRWTRNRFJCHF-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[C@@H]1CCCCC[N@H+]1[C@H](C)CN 251344874 572566420 /nfs/dbraw/zinc/56/64/20/572566420.db2.gz QZAWNRTWJBBUNX-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[C@H](C)[N@@H+]1[C@H](CN)CCC[C@H]1C 69721739 572566770 /nfs/dbraw/zinc/56/67/70/572566770.db2.gz KTRRYQNZGBHOLG-WOPDTQHZSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)[N@@H+](C)C[C@H]1CCCCC[C@@H]1O 53881921 572566918 /nfs/dbraw/zinc/56/69/18/572566918.db2.gz UQEDJYNOCJEZPM-NEPJUHHUSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1[C@@H](C)CCC[C@H]1CN 69721741 572567104 /nfs/dbraw/zinc/56/71/04/572567104.db2.gz KTRRYQNZGBHOLG-SRVKXCTJSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)[N@@H+](C)C[C@@H]1C[C@H](C)CC[C@H]1O 53881906 572567298 /nfs/dbraw/zinc/56/72/98/572567298.db2.gz WORSJQOSCMIJKT-GRYCIOLGSA-N 1 1 199.338 2.124 10 0 AEAEMO CCC[N@@H+](C)C[C@@H]1CCCCC[C@@H]1O 53882884 572567378 /nfs/dbraw/zinc/56/73/78/572567378.db2.gz WWNGNDCOPMNMPN-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO C[N@@H+](C[C@H]1CCCCC[C@@H]1O)C1CC1 53882797 572567489 /nfs/dbraw/zinc/56/74/89/572567489.db2.gz BHHSRNWRSXSBPI-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@@H+](C[C@@H]1CCCCC[C@@H]1O)C1CC1 53882795 572567712 /nfs/dbraw/zinc/56/77/12/572567712.db2.gz BHHSRNWRSXSBPI-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]([NH3+])c1ncc(C2C[C@@H]3C[C@@H]3C2)o1 87567076 572567777 /nfs/dbraw/zinc/56/77/77/572567777.db2.gz HBOAIILIJOJXGJ-JSXQXQAOSA-N 1 1 192.262 2.208 10 0 AEAEMO CC(C)[N@@H+](C)C[C@@H]1CCCCC[C@@H]1O 53881920 572567802 /nfs/dbraw/zinc/56/78/02/572567802.db2.gz UQEDJYNOCJEZPM-RYUDHWBXSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[C@H]1CCCCC[N@@H+]1C[C@H](C)N 251356823 572567955 /nfs/dbraw/zinc/56/79/55/572567955.db2.gz UPBLWAZJBYHAPV-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1C[C@@H]1CCC[C@@H]1O 53881373 572569590 /nfs/dbraw/zinc/56/95/90/572569590.db2.gz SFJUBKWOPCPRGS-TUAOUCFPSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1CCC[N@H+]1C[C@@H]1CCCC[C@@H]1O 53881377 572568552 /nfs/dbraw/zinc/56/85/52/572568552.db2.gz BTOBINDPLYOIOZ-WOPDTQHZSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)[N@@H+](C)C[C@@H]1C[C@H](C)CC[C@@H]1O 53881904 572568860 /nfs/dbraw/zinc/56/88/60/572568860.db2.gz WORSJQOSCMIJKT-WOPDTQHZSA-N 1 1 199.338 2.124 10 0 AEAEMO C[C@H]([NH3+])c1ncc(C2C[C@@H]3C[C@@H]3C2)o1 87567074 572569114 /nfs/dbraw/zinc/56/91/14/572569114.db2.gz HBOAIILIJOJXGJ-VTBDLZGYSA-N 1 1 192.262 2.208 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1[C@@H](C)CCC[C@@H]1CN 69721737 572569130 /nfs/dbraw/zinc/56/91/30/572569130.db2.gz KTRRYQNZGBHOLG-SDDRHHMPSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)[C@@H]1CCCCC[N@@H+]1C[C@H](C)N 251356826 572569282 /nfs/dbraw/zinc/56/92/82/572569282.db2.gz UPBLWAZJBYHAPV-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CN[C@@H](C)C[N@@H+]1CCCC[C@H]1C(C)C 251343555 572569308 /nfs/dbraw/zinc/56/93/08/572569308.db2.gz QQEHUALSDLABCD-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CN[C@@H](C)C[N@H+]1CCCC[C@H]1C(C)C 251343555 572569312 /nfs/dbraw/zinc/56/93/12/572569312.db2.gz QQEHUALSDLABCD-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1[C@H](C)CCC[C@@H]1CN 69721736 572569340 /nfs/dbraw/zinc/56/93/40/572569340.db2.gz KTRRYQNZGBHOLG-GRYCIOLGSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)CC[N@H+]1CC[C@@H](C)NC[C@@H]1C 251535917 572569437 /nfs/dbraw/zinc/56/94/37/572569437.db2.gz BCIWHHYWRYGJNQ-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)CCN1CC[C@@H](C)[NH2+]C[C@@H]1C 251535917 572569443 /nfs/dbraw/zinc/56/94/43/572569443.db2.gz BCIWHHYWRYGJNQ-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)CC[N@H+]1CC[C@H](C)NC[C@@H]1C 251535926 572569871 /nfs/dbraw/zinc/56/98/71/572569871.db2.gz BCIWHHYWRYGJNQ-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)CCN1CC[C@H](C)[NH2+]C[C@@H]1C 251535926 572569874 /nfs/dbraw/zinc/56/98/74/572569874.db2.gz BCIWHHYWRYGJNQ-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)=CC[N@H+]1[C@H](CN)CCC[C@H]1C 69722873 572569905 /nfs/dbraw/zinc/56/99/05/572569905.db2.gz ZVLNXNQOSBCIQR-NEPJUHHUSA-N 1 1 196.338 2.154 10 0 AEAEMO CC(C)=CC[N@@H+]1[C@H](CN)CCC[C@H]1C 69722873 572569910 /nfs/dbraw/zinc/56/99/10/572569910.db2.gz ZVLNXNQOSBCIQR-NEPJUHHUSA-N 1 1 196.338 2.154 10 0 AEAEMO CC(C)=CC[N@@H+]1[C@@H](C)CCC[C@@H]1CN 69722871 572570118 /nfs/dbraw/zinc/57/01/18/572570118.db2.gz ZVLNXNQOSBCIQR-NWDGAFQWSA-N 1 1 196.338 2.154 10 0 AEAEMO CC(C)=CC[N@H+]1[C@@H](C)CCC[C@@H]1CN 69722871 572570121 /nfs/dbraw/zinc/57/01/21/572570121.db2.gz ZVLNXNQOSBCIQR-NWDGAFQWSA-N 1 1 196.338 2.154 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[C@@H]1O 53881738 572570138 /nfs/dbraw/zinc/57/01/38/572570138.db2.gz LVNAPRLUZJCGOH-WOPDTQHZSA-N 1 1 197.322 2.022 10 0 AEAEMO CN[C@@H](C)C[N@@H+]1CCCC[C@@H]1C(C)C 251343551 572570193 /nfs/dbraw/zinc/57/01/93/572570193.db2.gz QQEHUALSDLABCD-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CN[C@@H](C)C[N@H+]1CCCC[C@@H]1C(C)C 251343551 572570194 /nfs/dbraw/zinc/57/01/94/572570194.db2.gz QQEHUALSDLABCD-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[C@H]1CC[N@H+]([C@@H](C)CC[NH3+])C1 307828789 572571060 /nfs/dbraw/zinc/57/10/60/572571060.db2.gz RTGTWQQFSKNLHB-NWDGAFQWSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@H](C(C)C)[N@H+]1CC[C@@H](N)C1 251454187 572573297 /nfs/dbraw/zinc/57/32/97/572573297.db2.gz XQPRDCHEVQVLNV-VXGBXAGGSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)(C)c1cc(C[NH2+]C2CC2)no1 87547299 572571269 /nfs/dbraw/zinc/57/12/69/572571269.db2.gz SDWXGTRKBCAPPF-UHFFFAOYSA-N 1 1 194.278 2.224 10 0 AEAEMO C[C@@H](CC[NH3+])[N@@H+](C)C[C@H]1CC=CCC1 402627095 572571282 /nfs/dbraw/zinc/57/12/82/572571282.db2.gz BJXZKBBQAAUISA-RYUDHWBXSA-N 1 1 196.338 2.012 10 0 AEAEMO CC(C)C[C@@H]1CC[N@H+]([C@H](C)CC[NH3+])C1 307828788 572571303 /nfs/dbraw/zinc/57/13/03/572571303.db2.gz RTGTWQQFSKNLHB-NEPJUHHUSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](C)c1cc(C[NH2+]C2CC2)no1 87547303 572571323 /nfs/dbraw/zinc/57/13/23/572571323.db2.gz QBJQPBQWWUTTFM-MRVPVSSYSA-N 1 1 194.278 2.440 10 0 AEAEMO CCC[N@@H+](C[C@@H]1CCCC1=O)C1CC1 53926624 572571455 /nfs/dbraw/zinc/57/14/55/572571455.db2.gz LXJHCLWRWIMEAT-JTQLQIEISA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@@H](C1CCC1)[N@H+]1CCCC[C@H]1CO 251441764 572571733 /nfs/dbraw/zinc/57/17/33/572571733.db2.gz AVRAKEVBTQMGON-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[N@@H+](C)C[C@@H]1CCCCCC1=O 53926301 572572180 /nfs/dbraw/zinc/57/21/80/572572180.db2.gz QGMNEFNMUXCSMQ-JTQLQIEISA-N 1 1 183.295 2.088 10 0 AEAEMO CC[C@H](C)c1cc(C[NH2+]C2CC2)no1 87547304 572572331 /nfs/dbraw/zinc/57/23/31/572572331.db2.gz QBJQPBQWWUTTFM-QMMMGPOBSA-N 1 1 194.278 2.440 10 0 AEAEMO CC(C)C[C@@H]1CC[N@H+]([C@@H](C)CC[NH3+])C1 307828790 572572784 /nfs/dbraw/zinc/57/27/84/572572784.db2.gz RTGTWQQFSKNLHB-RYUDHWBXSA-N 1 1 198.354 2.092 10 0 AEAEMO Cc1c(C[NH2+]C2CC2)noc1C1CC1 87547283 572572956 /nfs/dbraw/zinc/57/29/56/572572956.db2.gz TTXNZGJNJKZGST-UHFFFAOYSA-N 1 1 192.262 2.112 10 0 AEAEMO C[C@H](C1CCC1)[N@H+]1CCCC[C@H]1CO 251441767 572573013 /nfs/dbraw/zinc/57/30/13/572573013.db2.gz AVRAKEVBTQMGON-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)C[C@H]1CC[N@H+]([C@H](C)CC[NH3+])C1 307828791 572573193 /nfs/dbraw/zinc/57/31/93/572573193.db2.gz RTGTWQQFSKNLHB-VXGBXAGGSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@@H](C(C)C)[N@H+]1CC[C@@H](N)C1 251454181 572573207 /nfs/dbraw/zinc/57/32/07/572573207.db2.gz XQPRDCHEVQVLNV-NEPJUHHUSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[N@@H+](C)C[C@H]1CCCCCC1=O 53926302 572573208 /nfs/dbraw/zinc/57/32/08/572573208.db2.gz QGMNEFNMUXCSMQ-SNVBAGLBSA-N 1 1 183.295 2.088 10 0 AEAEMO Cc1c(C[NH2+]C2CC2)noc1C(C)C 87547294 572573803 /nfs/dbraw/zinc/57/38/03/572573803.db2.gz RFNZRIOGPJQILV-UHFFFAOYSA-N 1 1 194.278 2.358 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@@H](C)NCCC1(C)C 251521477 572574800 /nfs/dbraw/zinc/57/48/00/572574800.db2.gz AEPSJYGICKJXRZ-MNOVXSKESA-N 1 1 198.354 2.247 10 0 AEAEMO CC(C)c1nc(C[NH3+])oc1C(C)C 74300373 572575085 /nfs/dbraw/zinc/57/50/85/572575085.db2.gz YNQFROFJFWFVTN-UHFFFAOYSA-N 1 1 182.267 2.380 10 0 AEAEMO CSC[C@@H](C)[N@@H+](C)CC1(F)CC1 308068796 572575837 /nfs/dbraw/zinc/57/58/37/572575837.db2.gz ADAFCTKRZOLYEJ-MRVPVSSYSA-N 1 1 191.315 2.172 10 0 AEAEMO Cc1nc([C@H](C)[NH3+])oc1CC(C)C 74300396 572575958 /nfs/dbraw/zinc/57/59/58/572575958.db2.gz WBLWSNFQPSKIRS-ZETCQYMHSA-N 1 1 182.267 2.201 10 0 AEAEMO CC[C@@H](C)[N@H+]1C[C@@H](C)NCCC1(C)C 251521469 572575993 /nfs/dbraw/zinc/57/59/93/572575993.db2.gz AEPSJYGICKJXRZ-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO Cc1nc([C@@H](C)[NH3+])oc1CC(C)C 74300394 572576201 /nfs/dbraw/zinc/57/62/01/572576201.db2.gz WBLWSNFQPSKIRS-SSDOTTSWSA-N 1 1 182.267 2.201 10 0 AEAEMO C[C@H](O)C(C)(C)C[N@@H+](C)[C@H](C)C1CC1 251492976 572576728 /nfs/dbraw/zinc/57/67/28/572576728.db2.gz GURXVDADJLURIR-ZJUUUORDSA-N 1 1 199.338 2.124 10 0 AEAEMO CSC[C@H](C)[N@@H+](C)CC1(F)CC1 308068797 572576844 /nfs/dbraw/zinc/57/68/44/572576844.db2.gz ADAFCTKRZOLYEJ-QMMMGPOBSA-N 1 1 191.315 2.172 10 0 AEAEMO CCc1oc([C@H](C)[NH3+])nc1C(C)C 74300383 572577525 /nfs/dbraw/zinc/57/75/25/572577525.db2.gz ZSNUJHHGARPVBD-ZETCQYMHSA-N 1 1 182.267 2.380 10 0 AEAEMO CCc1oc([C@@H](C)[NH3+])nc1C(C)C 74300382 572577571 /nfs/dbraw/zinc/57/75/71/572577571.db2.gz ZSNUJHHGARPVBD-SSDOTTSWSA-N 1 1 182.267 2.380 10 0 AEAEMO CC(C)[C@H](N)C[N@H+]1CCCC(C)(C)C1 69794506 572577750 /nfs/dbraw/zinc/57/77/50/572577750.db2.gz VWOKGOSAUUQWMW-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)[C@H]([NH3+])CN1CCCC(C)(C)C1 69794506 572577753 /nfs/dbraw/zinc/57/77/53/572577753.db2.gz VWOKGOSAUUQWMW-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@H](CN)C1CCC1 87584804 572580826 /nfs/dbraw/zinc/58/08/26/572580826.db2.gz HRANOUSDKBOSCX-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)[C@@H](CN)C1CCC1 87584773 572578569 /nfs/dbraw/zinc/57/85/69/572578569.db2.gz UYZOFJSOIHSMML-PWSUYJOCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[N@@H+](CC)[C@H](CN)C1CCC1 87584735 572578663 /nfs/dbraw/zinc/57/86/63/572578663.db2.gz ZAVGGBKWLXCCIU-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)CC[N@@H+](C)[C@H](CN)C1CCC1 87584852 572578812 /nfs/dbraw/zinc/57/88/12/572578812.db2.gz BVAOQQDVJITWED-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@@H](CN)C1CCC1 87584770 572578979 /nfs/dbraw/zinc/57/89/79/572578979.db2.gz SVBIJMIEDXLYBG-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCC[N@@H+](C)[C@@H](CN)C1CCC1 87584771 572579085 /nfs/dbraw/zinc/57/90/85/572579085.db2.gz HAMISOGRXDUTAN-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(=O)CCC[N@H+]1CCCC(C)(C)C1 69793573 572579379 /nfs/dbraw/zinc/57/93/79/572579379.db2.gz COCSZQJHEPQIEC-UHFFFAOYSA-N 1 1 197.322 2.478 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@H](CN)C1CCC1 87584758 572579442 /nfs/dbraw/zinc/57/94/42/572579442.db2.gz MIEVKAULFJQMAQ-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)(C[NH3+])C[N@H+]1CCCC(C)(C)C1 69793896 572579744 /nfs/dbraw/zinc/57/97/44/572579744.db2.gz YAXAIGPARXDWKG-UHFFFAOYSA-N 1 1 198.354 2.093 10 0 AEAEMO CC(C)(CN)C[N@@H+]1CCCC(C)(C)C1 69793896 572579746 /nfs/dbraw/zinc/57/97/46/572579746.db2.gz YAXAIGPARXDWKG-UHFFFAOYSA-N 1 1 198.354 2.093 10 0 AEAEMO CC(C)(CN)C[N@H+]1CCCC(C)(C)C1 69793896 572579748 /nfs/dbraw/zinc/57/97/48/572579748.db2.gz YAXAIGPARXDWKG-UHFFFAOYSA-N 1 1 198.354 2.093 10 0 AEAEMO CC(=O)CC[N@H+]1CCCC(C)(C)C1 69793582 572579821 /nfs/dbraw/zinc/57/98/21/572579821.db2.gz NGOUWPRDWFWMCW-UHFFFAOYSA-N 1 1 183.295 2.088 10 0 AEAEMO CC(C)[C@H](CN)[N@H+]1CCCC(C)(C)C1 69792995 572579864 /nfs/dbraw/zinc/57/98/64/572579864.db2.gz SIHAJVSMUPWOQP-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)[C@@H](N)C[N@H+]1CCCC(C)(C)C1 69794508 572580058 /nfs/dbraw/zinc/58/00/58/572580058.db2.gz VWOKGOSAUUQWMW-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)[C@@H]([NH3+])CN1CCCC(C)(C)C1 69794508 572580064 /nfs/dbraw/zinc/58/00/64/572580064.db2.gz VWOKGOSAUUQWMW-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@H](CN)C1CCC1 87584803 572580421 /nfs/dbraw/zinc/58/04/21/572580421.db2.gz HRANOUSDKBOSCX-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)[C@@H](CN)C1CCC1 87584802 572580624 /nfs/dbraw/zinc/58/06/24/572580624.db2.gz XHAIAUAUJXNZNP-JQWIXIFHSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@@H](CN)C1CCC1 87584767 572580635 /nfs/dbraw/zinc/58/06/35/572580635.db2.gz RXMABLUZGWDMNW-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCCC[N@@H+](C)[C@H](CN)C1CCC1 87584772 572580746 /nfs/dbraw/zinc/58/07/46/572580746.db2.gz HAMISOGRXDUTAN-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)[C@@H](CN)[N@H+]1CCCC(C)(C)C1 69792993 572580910 /nfs/dbraw/zinc/58/09/10/572580910.db2.gz SIHAJVSMUPWOQP-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)[C@@H](CN)C1CCC1 87584769 572580939 /nfs/dbraw/zinc/58/09/39/572580939.db2.gz SVBIJMIEDXLYBG-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@@H](CN)C1CCC1 87584774 572581020 /nfs/dbraw/zinc/58/10/20/572581020.db2.gz UYZOFJSOIHSMML-JQWIXIFHSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)[C@@H](CN)C1CCC1 87584805 572581117 /nfs/dbraw/zinc/58/11/17/572581117.db2.gz IAFOPOUVDRCCNB-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@H](CN)C1CCC1 87584768 572581160 /nfs/dbraw/zinc/58/11/60/572581160.db2.gz RXMABLUZGWDMNW-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@H](CN)C1CCC1 87584806 572581310 /nfs/dbraw/zinc/58/13/10/572581310.db2.gz IAFOPOUVDRCCNB-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@@H](CN)C1CCC1 87584757 572581434 /nfs/dbraw/zinc/58/14/34/572581434.db2.gz MIEVKAULFJQMAQ-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[N@@H+](CC)[C@@H](CN)C1CCC1 87584734 572581451 /nfs/dbraw/zinc/58/14/51/572581451.db2.gz ZAVGGBKWLXCCIU-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)[C@@H](CN)C1CCC1 87584801 572581472 /nfs/dbraw/zinc/58/14/72/572581472.db2.gz XHAIAUAUJXNZNP-PWSUYJOCSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@@H](CN)C1CCC1 87585023 572582318 /nfs/dbraw/zinc/58/23/18/572582318.db2.gz FNFWEBUHUMJXTP-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]1CC[N@H+](C2CCCC2)C[C@@H](C)N1 251595167 572583007 /nfs/dbraw/zinc/58/30/07/572583007.db2.gz FXOIULMSTNJSHK-WDEREUQCSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@@H]1CC[N@H+](C2CCCC2)C[C@@H](C)N1 251595161 572584184 /nfs/dbraw/zinc/58/41/84/572584184.db2.gz FXOIULMSTNJSHK-GHMZBOCLSA-N 1 1 196.338 2.001 10 0 AEAEMO C[N@@H+](CC(C)(C)C)[C@H](CN)C1CCC1 87584930 572584368 /nfs/dbraw/zinc/58/43/68/572584368.db2.gz XUCVNGGOGUCYPQ-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@H](CN)C1CCC1 87585024 572584716 /nfs/dbraw/zinc/58/47/16/572584716.db2.gz FNFWEBUHUMJXTP-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)Cc1ccc[nH+]c1N 69841490 572586821 /nfs/dbraw/zinc/58/68/21/572586821.db2.gz CCXCTHGMLZXWAS-MRVPVSSYSA-N 1 1 164.252 2.252 10 0 AEAEMO CCCCC[C@H]([NH2+]CC)c1c[nH]nn1 87600997 572591487 /nfs/dbraw/zinc/59/14/87/572591487.db2.gz KESLBYVUHCJOIN-VIFPVBQESA-N 1 1 196.298 2.036 10 0 AEAEMO CC[C@H](C)Cc1ccc[nH+]c1N 69841492 572587233 /nfs/dbraw/zinc/58/72/33/572587233.db2.gz CCXCTHGMLZXWAS-QMMMGPOBSA-N 1 1 164.252 2.252 10 0 AEAEMO C[C@@H]1CC[N@@H+](C)[C@@H]2CCC(=O)C[C@H]2C1 251546450 572587821 /nfs/dbraw/zinc/58/78/21/572587821.db2.gz BUCODDFHXOOERN-CKYFFXLPSA-N 1 1 195.306 2.086 10 0 AEAEMO CCC[N@@H+](CC)[C@@H](CC)C(C)=O 114789387 572588076 /nfs/dbraw/zinc/58/80/76/572588076.db2.gz DUPXWQRNDHVMCC-JTQLQIEISA-N 1 1 171.284 2.086 10 0 AEAEMO C[C@@H]1CC[N@@H+](C)[C@H]2CCC(=O)C[C@@H]2C1 251546468 572588128 /nfs/dbraw/zinc/58/81/28/572588128.db2.gz BUCODDFHXOOERN-SCVCMEIPSA-N 1 1 195.306 2.086 10 0 AEAEMO CCCCCC[C@@H]([NH2+]C)c1c[nH]nn1 87600617 572591050 /nfs/dbraw/zinc/59/10/50/572591050.db2.gz ZRGUBEMQWSRUJO-SECBINFHSA-N 1 1 196.298 2.036 10 0 AEAEMO CCCCCC[C@@H]([NH2+]C)c1cn[nH]n1 87600617 572591052 /nfs/dbraw/zinc/59/10/52/572591052.db2.gz ZRGUBEMQWSRUJO-SECBINFHSA-N 1 1 196.298 2.036 10 0 AEAEMO C[C@@H]1CC[N@@H+](C)[C@H]2CCC(=O)C[C@H]2C1 251546459 572589065 /nfs/dbraw/zinc/58/90/65/572589065.db2.gz BUCODDFHXOOERN-FOGDFJRCSA-N 1 1 195.306 2.086 10 0 AEAEMO CCC[N@@H+](CC(C)C)[C@H](C)C(C)=O 114789478 572590014 /nfs/dbraw/zinc/59/00/14/572590014.db2.gz SCOPKDAQKDUXDV-SNVBAGLBSA-N 1 1 185.311 2.332 10 0 AEAEMO CCC[N@@H+](CC)[C@H](CC)C(C)=O 114789389 572590278 /nfs/dbraw/zinc/59/02/78/572590278.db2.gz DUPXWQRNDHVMCC-SNVBAGLBSA-N 1 1 171.284 2.086 10 0 AEAEMO CC(C)C[C@@H]1CC[N@@H+]([C@@H](C)[C@H](C)N)C1 307835656 572590968 /nfs/dbraw/zinc/59/09/68/572590968.db2.gz NECNDAMSUBQUFI-SRVKXCTJSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@@H]1CC[N@H+]([C@@H](C)[C@H](C)N)C1 307835656 572590974 /nfs/dbraw/zinc/59/09/74/572590974.db2.gz NECNDAMSUBQUFI-SRVKXCTJSA-N 1 1 198.354 2.090 10 0 AEAEMO CCCCC[C@H]([NH2+]CC)c1cn[nH]n1 87600997 572591493 /nfs/dbraw/zinc/59/14/93/572591493.db2.gz KESLBYVUHCJOIN-VIFPVBQESA-N 1 1 196.298 2.036 10 0 AEAEMO CC(C)C[C@@H]1CC[N@@H+]([C@@H](C)[C@@H](C)N)C1 307835659 572591517 /nfs/dbraw/zinc/59/15/17/572591517.db2.gz NECNDAMSUBQUFI-WOPDTQHZSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@@H]1CC[N@H+]([C@@H](C)[C@@H](C)N)C1 307835659 572591522 /nfs/dbraw/zinc/59/15/22/572591522.db2.gz NECNDAMSUBQUFI-WOPDTQHZSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@@H]1CC[N@@H+]([C@H](C)[C@@H](C)N)C1 307835658 572591630 /nfs/dbraw/zinc/59/16/30/572591630.db2.gz NECNDAMSUBQUFI-UTUOFQBUSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@@H]1CC[N@H+]([C@H](C)[C@@H](C)N)C1 307835658 572591636 /nfs/dbraw/zinc/59/16/36/572591636.db2.gz NECNDAMSUBQUFI-UTUOFQBUSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC[N@@H+](CC(C)C)[C@@H](C)C(C)=O 114789444 572592196 /nfs/dbraw/zinc/59/21/96/572592196.db2.gz SCOPKDAQKDUXDV-JTQLQIEISA-N 1 1 185.311 2.332 10 0 AEAEMO CC(C)C[C@@H]1CC[N@@H+]([C@H](C)[C@H](C)N)C1 307835657 572593521 /nfs/dbraw/zinc/59/35/21/572593521.db2.gz NECNDAMSUBQUFI-TUAOUCFPSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@@H]1CC[N@H+]([C@H](C)[C@H](C)N)C1 307835657 572593525 /nfs/dbraw/zinc/59/35/25/572593525.db2.gz NECNDAMSUBQUFI-TUAOUCFPSA-N 1 1 198.354 2.090 10 0 AEAEMO CCCCCC[C@H]([NH2+]C)c1c[nH]nn1 87600616 572593935 /nfs/dbraw/zinc/59/39/35/572593935.db2.gz ZRGUBEMQWSRUJO-VIFPVBQESA-N 1 1 196.298 2.036 10 0 AEAEMO CCCCCC[C@H]([NH2+]C)c1cn[nH]n1 87600616 572593940 /nfs/dbraw/zinc/59/39/40/572593940.db2.gz ZRGUBEMQWSRUJO-VIFPVBQESA-N 1 1 196.298 2.036 10 0 AEAEMO Cc1ccc(-c2cccnc2)c(N)[nH+]1 47212382 572594013 /nfs/dbraw/zinc/59/40/13/572594013.db2.gz XYCUVYSEOABYAH-UHFFFAOYSA-N 1 1 185.230 2.034 10 0 AEAEMO Cc1ccc(-c2ccncc2)c(N)[nH+]1 47212384 572594883 /nfs/dbraw/zinc/59/48/83/572594883.db2.gz YEZXSJNWDHWQFY-UHFFFAOYSA-N 1 1 185.230 2.034 10 0 AEAEMO C[C@H](CO)[N@H+]1CC[C@H](CC(C)(C)C)C1 307840590 572595065 /nfs/dbraw/zinc/59/50/65/572595065.db2.gz BHOOJXUYSLGEPS-GHMZBOCLSA-N 1 1 199.338 2.125 10 0 AEAEMO Cc1cc(N)[nH+]cc1-c1cccnc1 47212390 572595119 /nfs/dbraw/zinc/59/51/19/572595119.db2.gz YODSUFAPBBSANP-UHFFFAOYSA-N 1 1 185.230 2.034 10 0 AEAEMO C[C@@H](CO)[N@H+]1CC[C@@H](CC(C)(C)C)C1 307840592 572595156 /nfs/dbraw/zinc/59/51/56/572595156.db2.gz BHOOJXUYSLGEPS-QWRGUYRKSA-N 1 1 199.338 2.125 10 0 AEAEMO CCCCC[C@@H]([NH2+]CC)c1c[nH]nn1 87600998 572595207 /nfs/dbraw/zinc/59/52/07/572595207.db2.gz KESLBYVUHCJOIN-SECBINFHSA-N 1 1 196.298 2.036 10 0 AEAEMO CCCCC[C@@H]([NH2+]CC)c1cn[nH]n1 87600998 572595210 /nfs/dbraw/zinc/59/52/10/572595210.db2.gz KESLBYVUHCJOIN-SECBINFHSA-N 1 1 196.298 2.036 10 0 AEAEMO CC[C@H](C)[N@@H+](C)C(C)(C)COC 308070109 572595427 /nfs/dbraw/zinc/59/54/27/572595427.db2.gz BCVHZISEIUFISD-VIFPVBQESA-N 1 1 173.300 2.142 10 0 AEAEMO C[C@@H](CO)[N@H+]1CC[C@H](CC(C)(C)C)C1 307840593 572595613 /nfs/dbraw/zinc/59/56/13/572595613.db2.gz BHOOJXUYSLGEPS-WDEREUQCSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H](CO)[N@H+]1CC[C@@H](CC(C)(C)C)C1 307840591 572596145 /nfs/dbraw/zinc/59/61/45/572596145.db2.gz BHOOJXUYSLGEPS-MNOVXSKESA-N 1 1 199.338 2.125 10 0 AEAEMO Cc1[nH+]c(N)ccc1-c1cccnc1 47212414 572596306 /nfs/dbraw/zinc/59/63/06/572596306.db2.gz UXXPXXRXKLHDSD-UHFFFAOYSA-N 1 1 185.230 2.034 10 0 AEAEMO CCCC[C@@H]([NH2+]CCC)c1cnn[nH]1 87601172 572596316 /nfs/dbraw/zinc/59/63/16/572596316.db2.gz WOXYREHRPDANRU-SECBINFHSA-N 1 1 196.298 2.036 10 0 AEAEMO Cc1cc(N)[nH+]cc1-c1ccncc1 47212391 572596519 /nfs/dbraw/zinc/59/65/19/572596519.db2.gz CUOSEZWKUQJQMK-UHFFFAOYSA-N 1 1 185.230 2.034 10 0 AEAEMO Cc1c[nH+]c(N)c(-c2ccncc2)c1 47212380 572597085 /nfs/dbraw/zinc/59/70/85/572597085.db2.gz IAOBWRCQSXKXQE-UHFFFAOYSA-N 1 1 185.230 2.034 10 0 AEAEMO CCCC[C@H]([NH2+]CCC)c1cnn[nH]1 87601171 572599148 /nfs/dbraw/zinc/59/91/48/572599148.db2.gz WOXYREHRPDANRU-VIFPVBQESA-N 1 1 196.298 2.036 10 0 AEAEMO O=CC1CCC[N@H+]2CCCC[C@H]12 308069885 572598196 /nfs/dbraw/zinc/59/81/96/572598196.db2.gz AWIPRVNWLISMBB-AAXQSMANSA-N 1 1 167.252 2.077 10 0 AEAEMO CCC[C@@H]([NH3+])c1nc2ccoc2o1 74303953 572603411 /nfs/dbraw/zinc/60/34/11/572603411.db2.gz CPNRVOVLFMGZMN-ZCFIWIBFSA-N 1 1 180.207 2.221 10 0 AEAEMO [NH3+][C@H](CC1CCCC1)c1ncco1 74303510 572600921 /nfs/dbraw/zinc/60/09/21/572600921.db2.gz HBCYIGDGRBNOQI-SECBINFHSA-N 1 1 180.251 2.255 10 0 AEAEMO [NH3+][C@@H](CC1CCCC1)c1ncco1 74303511 572602638 /nfs/dbraw/zinc/60/26/38/572602638.db2.gz HBCYIGDGRBNOQI-VIFPVBQESA-N 1 1 180.251 2.255 10 0 AEAEMO CCC[C@H]([NH3+])c1nc2ccoc2o1 74303950 572603418 /nfs/dbraw/zinc/60/34/18/572603418.db2.gz CPNRVOVLFMGZMN-LURJTMIESA-N 1 1 180.207 2.221 10 0 AEAEMO CCc1nc([C@H](C)[NH3+])oc1C1CC1 74303347 572604224 /nfs/dbraw/zinc/60/42/24/572604224.db2.gz OLKGVKDWUANFJS-LURJTMIESA-N 1 1 180.251 2.134 10 0 AEAEMO CC[C@@H]1C[C@@H](NC)C[N@H+]([C@H](C)CC)C1 251643908 572604825 /nfs/dbraw/zinc/60/48/25/572604825.db2.gz MXUQVARTLZSTSO-IJLUTSLNSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1C[C@@H](NC)C[N@@H+]([C@H](C)CC)C1 251643908 572604828 /nfs/dbraw/zinc/60/48/28/572604828.db2.gz MXUQVARTLZSTSO-IJLUTSLNSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1C[C@H](NC)C[N@H+]([C@H](C)CC)C1 251643911 572606726 /nfs/dbraw/zinc/60/67/26/572606726.db2.gz MXUQVARTLZSTSO-UTUOFQBUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1C[C@H](NC)C[N@@H+]([C@H](C)CC)C1 251643911 572606728 /nfs/dbraw/zinc/60/67/28/572606728.db2.gz MXUQVARTLZSTSO-UTUOFQBUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[C@@H]1CC[N@@H+](CCCCO)C1 307846671 572607851 /nfs/dbraw/zinc/60/78/51/572607851.db2.gz NYJHPOXKPBQYBR-LBPRGKRZSA-N 1 1 199.338 2.127 10 0 AEAEMO CC(C)n1cc[nH+]c1C1CC1 165911017 572608261 /nfs/dbraw/zinc/60/82/61/572608261.db2.gz BLAHPWYSZFMPRP-UHFFFAOYSA-N 1 1 150.225 2.341 10 0 AEAEMO CSCC[N@@H+](C)[C@H](C)CC1CC1 308073428 572608493 /nfs/dbraw/zinc/60/84/93/572608493.db2.gz BROYKOAGHRAUKC-SECBINFHSA-N 1 1 187.352 2.470 10 0 AEAEMO Cc1cc(N)c(C)c2[nH+]cccc12 140833357 572608850 /nfs/dbraw/zinc/60/88/50/572608850.db2.gz KZMRHPBPVXZYNM-UHFFFAOYSA-N 1 1 172.231 2.434 10 0 AEAEMO CSCC[N@@H+](C)[C@@H](C)CC1CC1 308073436 572609035 /nfs/dbraw/zinc/60/90/35/572609035.db2.gz BROYKOAGHRAUKC-VIFPVBQESA-N 1 1 187.352 2.470 10 0 AEAEMO C[N@@H+](CCF)C(C1CC1)C1CC1 308072986 572609794 /nfs/dbraw/zinc/60/97/94/572609794.db2.gz BPFMZOJYGMMKSA-UHFFFAOYSA-N 1 1 171.259 2.076 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1CC(C)(C)C[NH3+] 69945675 572612161 /nfs/dbraw/zinc/61/21/61/572612161.db2.gz RVVUHWNVWNQQIF-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@@H]1CCCCC[N@@H+]1CC(C)(C)CN 69945675 572612163 /nfs/dbraw/zinc/61/21/63/572612163.db2.gz RVVUHWNVWNQQIF-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1CC(C)(C)CN 69945675 572612170 /nfs/dbraw/zinc/61/21/70/572612170.db2.gz RVVUHWNVWNQQIF-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC1(CC)C[C@@H](O)CC(C)(C)[N@H+]1C 140823867 572612345 /nfs/dbraw/zinc/61/23/45/572612345.db2.gz CIJJWMDFPFCWCZ-JTQLQIEISA-N 1 1 199.338 2.410 10 0 AEAEMO Cc1c[nH+]c(N)c([C@H](O)C(C)(C)C)c1 69942877 572612407 /nfs/dbraw/zinc/61/24/07/572612407.db2.gz KFFDROYEYAGJTL-VIFPVBQESA-N 1 1 194.278 2.052 10 0 AEAEMO CC[C@H](C)[C@H](O)c1c(C)cc[nH+]c1N 69941897 572613324 /nfs/dbraw/zinc/61/33/24/572613324.db2.gz WERRYOGSJDZZSG-XVKPBYJWSA-N 1 1 194.278 2.052 10 0 AEAEMO CC[C@H](C)[C@@H](O)c1c(C)cc[nH+]c1N 69941899 572612726 /nfs/dbraw/zinc/61/27/26/572612726.db2.gz WERRYOGSJDZZSG-OIBJUYFYSA-N 1 1 194.278 2.052 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1C[C@H](O)C1CC1 69945515 572613056 /nfs/dbraw/zinc/61/30/56/572613056.db2.gz AHAXBAYIZSFIRL-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1[C@@H]1CCC[C@@H]1O 69945399 572613298 /nfs/dbraw/zinc/61/32/98/572613298.db2.gz JDKYVSWZLOSWFV-UTUOFQBUSA-N 1 1 197.322 2.164 10 0 AEAEMO Cc1cc[nH+]c(N)c1[C@@H](O)C(C)(C)C 69941980 572613304 /nfs/dbraw/zinc/61/33/04/572613304.db2.gz GKUADHWWXPLFSV-SECBINFHSA-N 1 1 194.278 2.052 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1CC(C)(C)C[NH3+] 69945676 572613377 /nfs/dbraw/zinc/61/33/77/572613377.db2.gz RVVUHWNVWNQQIF-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@H]1CCCCC[N@@H+]1CC(C)(C)CN 69945676 572613378 /nfs/dbraw/zinc/61/33/78/572613378.db2.gz RVVUHWNVWNQQIF-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1CC(C)(C)CN 69945676 572613382 /nfs/dbraw/zinc/61/33/82/572613382.db2.gz RVVUHWNVWNQQIF-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)C[C@@H]1CC[N@H+](C(C)(C)CO)C1 307849832 572617508 /nfs/dbraw/zinc/61/75/08/572617508.db2.gz ZYUYDOPCSIHYCS-NSHDSACASA-N 1 1 199.338 2.125 10 0 AEAEMO Cc1c[nH+]c(N)c([C@@H](O)C(C)(C)C)c1 69942878 572613513 /nfs/dbraw/zinc/61/35/13/572613513.db2.gz KFFDROYEYAGJTL-SECBINFHSA-N 1 1 194.278 2.052 10 0 AEAEMO CC[C@@H](CC[NH3+])[N@H+]1CCCCC[C@@H]1C 69944399 572613625 /nfs/dbraw/zinc/61/36/25/572613625.db2.gz WUSLOOWVPNKBDR-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@@H](C)[C@@H](O)c1c(C)cc[nH+]c1N 69941898 572613721 /nfs/dbraw/zinc/61/37/21/572613721.db2.gz WERRYOGSJDZZSG-GMSGAONNSA-N 1 1 194.278 2.052 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1CC(C)(C)O 69945414 572613738 /nfs/dbraw/zinc/61/37/38/572613738.db2.gz YEHVCXQUWZETFV-JTQLQIEISA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@@H](C)[C@H](O)c1c(C)cc[nH+]c1N 69941896 572613982 /nfs/dbraw/zinc/61/39/82/572613982.db2.gz WERRYOGSJDZZSG-XCBNKYQSSA-N 1 1 194.278 2.052 10 0 AEAEMO CC[C@H](O)[C@@H](C)[N@H+]1CCCCC[C@@H]1C 69945520 572613989 /nfs/dbraw/zinc/61/39/89/572613989.db2.gz NDMFXWWJXORXNB-TUAOUCFPSA-N 1 1 199.338 2.410 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1CC(C)(C)O 69945413 572614186 /nfs/dbraw/zinc/61/41/86/572614186.db2.gz YEHVCXQUWZETFV-SNVBAGLBSA-N 1 1 185.311 2.022 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1[C@@H]1CCCNC1 69944966 572614261 /nfs/dbraw/zinc/61/42/61/572614261.db2.gz BGGZXTUQIFLNRY-VXGBXAGGSA-N 1 1 196.338 2.003 10 0 AEAEMO Cc1cc[nH+]c(N)c1[C@H](O)C(C)(C)C 69941979 572614531 /nfs/dbraw/zinc/61/45/31/572614531.db2.gz GKUADHWWXPLFSV-VIFPVBQESA-N 1 1 194.278 2.052 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1C[C@H](O)C1CC1 69945513 572614607 /nfs/dbraw/zinc/61/46/07/572614607.db2.gz AHAXBAYIZSFIRL-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[N@@H+](CCC(=O)C(C)(C)C)C1CC1 54026396 572614725 /nfs/dbraw/zinc/61/47/25/572614725.db2.gz ZVYHZYRFNOLFMC-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@H](C)[C@@H](O)c1cc(C)c[nH+]c1N 69942838 572614975 /nfs/dbraw/zinc/61/49/75/572614975.db2.gz ORTHIBBFTRDMDZ-WCBMZHEXSA-N 1 1 194.278 2.052 10 0 AEAEMO CC[C@@H](C)[C@@H](O)c1cc(C)c[nH+]c1N 69942837 572615075 /nfs/dbraw/zinc/61/50/75/572615075.db2.gz ORTHIBBFTRDMDZ-PSASIEDQSA-N 1 1 194.278 2.052 10 0 AEAEMO CC[C@@H](C)[C@H](O)c1cc(C)c[nH+]c1N 69942835 572615353 /nfs/dbraw/zinc/61/53/53/572615353.db2.gz ORTHIBBFTRDMDZ-SCZZXKLOSA-N 1 1 194.278 2.052 10 0 AEAEMO CC[C@H](C)[C@H](O)c1cc(C)c[nH+]c1N 69942836 572615403 /nfs/dbraw/zinc/61/54/03/572615403.db2.gz ORTHIBBFTRDMDZ-WPRPVWTQSA-N 1 1 194.278 2.052 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1[C@@H]1CCCNC1 69944968 572615457 /nfs/dbraw/zinc/61/54/57/572615457.db2.gz BGGZXTUQIFLNRY-NWDGAFQWSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1CC(C)(C)CO 69945729 572615672 /nfs/dbraw/zinc/61/56/72/572615672.db2.gz JJVTZQYGSNPXPB-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO Cc1ncc([C@@H]([NH3+])CCC(C)C)[nH]1 74301491 572615783 /nfs/dbraw/zinc/61/57/83/572615783.db2.gz XRJMHPWTYQNWQQ-VIFPVBQESA-N 1 1 181.283 2.154 10 0 AEAEMO Cc1cn[nH]c1[C@@H]([NH3+])CCC(C)C 74301510 572616479 /nfs/dbraw/zinc/61/64/79/572616479.db2.gz FIRFKXGWCKUABH-VIFPVBQESA-N 1 1 181.283 2.154 10 0 AEAEMO CCCc1[nH+]ccn1C1CCOCC1 69963992 572617909 /nfs/dbraw/zinc/61/79/09/572617909.db2.gz ZQBZDVUFOFUOFJ-UHFFFAOYSA-N 1 1 194.278 2.187 10 0 AEAEMO CCCc1[nH+]ccn1C(C)C 69963998 572618343 /nfs/dbraw/zinc/61/83/43/572618343.db2.gz JOBQQUPCFHLZOC-UHFFFAOYSA-N 1 1 152.241 2.417 10 0 AEAEMO Cc1ncc([C@H]([NH3+])CCC(C)C)[nH]1 74301489 572618792 /nfs/dbraw/zinc/61/87/92/572618792.db2.gz XRJMHPWTYQNWQQ-SECBINFHSA-N 1 1 181.283 2.154 10 0 AEAEMO Cc1cn[nH]c1[C@H]([NH3+])CCC(C)C 74301509 572618814 /nfs/dbraw/zinc/61/88/14/572618814.db2.gz FIRFKXGWCKUABH-SECBINFHSA-N 1 1 181.283 2.154 10 0 AEAEMO C/C=C/CCCCC[C@H]([NH3+])C(=O)OC 238362520 572621908 /nfs/dbraw/zinc/62/19/08/572621908.db2.gz IRABFEXBKZJETR-FSIBCCDJSA-N 1 1 199.294 2.013 10 0 AEAEMO FCCC[N@@H+](CC1CC1)C1CC1 308079973 572622190 /nfs/dbraw/zinc/62/21/90/572622190.db2.gz ICGURPLDMOKCLB-UHFFFAOYSA-N 1 1 171.259 2.220 10 0 AEAEMO CCC[C@@H]([NH3+])c1c[nH]cc2ccnc1-2 713729478 572626744 /nfs/dbraw/zinc/62/67/44/572626744.db2.gz PKBSTTBAZGTNOG-SNVBAGLBSA-N 1 1 189.262 2.363 10 0 AEAEMO C[NH+]=C1CSc2ccccc2N1 196843092 572627991 /nfs/dbraw/zinc/62/79/91/572627991.db2.gz ITEPLSXDFQWSLW-UHFFFAOYSA-N 1 1 178.260 2.042 10 0 AEAEMO CCC[C@H]([NH3+])c1c[nH]cc2ccnc1-2 713729477 572628697 /nfs/dbraw/zinc/62/86/97/572628697.db2.gz PKBSTTBAZGTNOG-JTQLQIEISA-N 1 1 189.262 2.363 10 0 AEAEMO CCCCCC[NH2+]CC(F)F 70019863 572629082 /nfs/dbraw/zinc/62/90/82/572629082.db2.gz RVWGQLDJWHRJBH-UHFFFAOYSA-N 1 1 165.227 2.421 10 0 AEAEMO C/C=C\C[N@@H+]1CCC[C@@H]1CC 307850793 572632159 /nfs/dbraw/zinc/63/21/59/572632159.db2.gz BEMXZARYZGHELH-ATPLWMGHSA-N 1 1 153.269 2.437 10 0 AEAEMO C/C=C\C[N@@H+]1CCC[C@H]1CC 307850795 572632919 /nfs/dbraw/zinc/63/29/19/572632919.db2.gz BEMXZARYZGHELH-TZGMSPROSA-N 1 1 153.269 2.437 10 0 AEAEMO CC[C@@H](C)[N@H+]1C[C@@H](C)NCC(C)(C)C1 251762220 572635163 /nfs/dbraw/zinc/63/51/63/572635163.db2.gz HSPOUQIIDJAYBA-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)N1C[C@@H](C)[NH2+]CC(C)(C)C1 251762220 572635167 /nfs/dbraw/zinc/63/51/67/572635167.db2.gz HSPOUQIIDJAYBA-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCCC[N@H+](C(C)C)C1CC(N)C1 87653399 572637385 /nfs/dbraw/zinc/63/73/85/572637385.db2.gz SAMSJMBQPMVLLW-UHFFFAOYSA-N 1 1 198.354 2.377 10 0 AEAEMO CCCCC[N@@H+](C(C)C)C1CC(N)C1 87653399 572637388 /nfs/dbraw/zinc/63/73/88/572637388.db2.gz SAMSJMBQPMVLLW-UHFFFAOYSA-N 1 1 198.354 2.377 10 0 AEAEMO CCCC[NH+](CCCC)C1CC(N)C1 87653183 572637917 /nfs/dbraw/zinc/63/79/17/572637917.db2.gz BWCDMTBXURGSFS-UHFFFAOYSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC(CC)C[N@H+](CC)C1CC(N)C1 87653261 572640196 /nfs/dbraw/zinc/64/01/96/572640196.db2.gz FCGXKYLOAJRYHN-UHFFFAOYSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)C[N@@H+](CC)C1CC(N)C1 87653261 572640199 /nfs/dbraw/zinc/64/01/99/572640199.db2.gz FCGXKYLOAJRYHN-UHFFFAOYSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[N@@H+](C1CC(N)C1)[C@@H](C)CC 87653407 572640244 /nfs/dbraw/zinc/64/02/44/572640244.db2.gz XPKARFYWMWBBRR-UNXYVOJBSA-N 1 1 198.354 2.377 10 0 AEAEMO CCCC[N@H+](C1CC(N)C1)[C@@H](C)CC 87653407 572640247 /nfs/dbraw/zinc/64/02/47/572640247.db2.gz XPKARFYWMWBBRR-UNXYVOJBSA-N 1 1 198.354 2.377 10 0 AEAEMO CCCC[N@@H+](C1CC(N)C1)[C@H](C)CC 87653408 572640294 /nfs/dbraw/zinc/64/02/94/572640294.db2.gz XPKARFYWMWBBRR-VOMCLLRMSA-N 1 1 198.354 2.377 10 0 AEAEMO CCCC[N@H+](C1CC(N)C1)[C@H](C)CC 87653408 572640296 /nfs/dbraw/zinc/64/02/96/572640296.db2.gz XPKARFYWMWBBRR-VOMCLLRMSA-N 1 1 198.354 2.377 10 0 AEAEMO CC(C)C[NH+](CC(C)C)C1CC(N)C1 87653262 572641508 /nfs/dbraw/zinc/64/15/08/572641508.db2.gz PFQGZRYGFNPHNB-UHFFFAOYSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)CCN1CC[C@@H](C)[NH2+][C@H](C)C1 251787518 572642408 /nfs/dbraw/zinc/64/24/08/572642408.db2.gz WTTYQDXVJIUGCZ-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(=O)CC[N@@H+]1CCC[C@H](C)CC1 70158225 572648494 /nfs/dbraw/zinc/64/84/94/572648494.db2.gz GKHUDAPUCJCYTP-JTQLQIEISA-N 1 1 183.295 2.088 10 0 AEAEMO CCCCC[C@@](C)(CN)[N@@H+](C)CC 87648271 572643238 /nfs/dbraw/zinc/64/32/38/572643238.db2.gz FSJPHQSYXCZOID-NSHDSACASA-N 1 1 186.343 2.236 10 0 AEAEMO CCCCC[C@@](C)(C[NH3+])N(C)CC 87648271 572643241 /nfs/dbraw/zinc/64/32/41/572643241.db2.gz FSJPHQSYXCZOID-NSHDSACASA-N 1 1 186.343 2.236 10 0 AEAEMO CCCCC[C@](C)(CN)[N@@H+](C)CC 87648272 572644177 /nfs/dbraw/zinc/64/41/77/572644177.db2.gz FSJPHQSYXCZOID-LLVKDONJSA-N 1 1 186.343 2.236 10 0 AEAEMO CCCCC[C@](C)(C[NH3+])N(C)CC 87648272 572644180 /nfs/dbraw/zinc/64/41/80/572644180.db2.gz FSJPHQSYXCZOID-LLVKDONJSA-N 1 1 186.343 2.236 10 0 AEAEMO C/C=C\CCNc1ccc(N)c[nH+]1 308082223 572644858 /nfs/dbraw/zinc/64/48/58/572644858.db2.gz ACJXUOWVNAIASG-IHWYPQMZSA-N 1 1 177.251 2.042 10 0 AEAEMO CC(C)CCN1CC[C@H](C)[NH2+][C@H](C)C1 251787515 572644998 /nfs/dbraw/zinc/64/49/98/572644998.db2.gz WTTYQDXVJIUGCZ-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCCC[C@@](C)(CN)[N@@H+](C)C1CC1 87648275 572645359 /nfs/dbraw/zinc/64/53/59/572645359.db2.gz SBJICTYTXVCNCI-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@@](C)(C[NH3+])N(C)C1CC1 87648275 572645362 /nfs/dbraw/zinc/64/53/62/572645362.db2.gz SBJICTYTXVCNCI-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@](C)(CN)[N@@H+](C)C1CC1 87648276 572645560 /nfs/dbraw/zinc/64/55/60/572645560.db2.gz SBJICTYTXVCNCI-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@](C)(C[NH3+])N(C)C1CC1 87648276 572645563 /nfs/dbraw/zinc/64/55/63/572645563.db2.gz SBJICTYTXVCNCI-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[N@@H+](C[C@@H](C)CO)C(C)(C)C 308083076 572646388 /nfs/dbraw/zinc/64/63/88/572646388.db2.gz PIXQHFQDLSJVEV-SNVBAGLBSA-N 1 1 187.327 2.125 10 0 AEAEMO CC(=O)CC[N@@H+]1CCC[C@@H](C)CC1 70158224 572647142 /nfs/dbraw/zinc/64/71/42/572647142.db2.gz GKHUDAPUCJCYTP-SNVBAGLBSA-N 1 1 183.295 2.088 10 0 AEAEMO CCC[N@@H+](C[C@H](C)CO)C(C)(C)C 308083073 572647229 /nfs/dbraw/zinc/64/72/29/572647229.db2.gz PIXQHFQDLSJVEV-JTQLQIEISA-N 1 1 187.327 2.125 10 0 AEAEMO Oc1ccc([C@@H]2CCC[NH2+]2)c(F)c1F 72201768 572650757 /nfs/dbraw/zinc/65/07/57/572650757.db2.gz XGJMTOPISZJCQG-ZETCQYMHSA-N 1 1 199.200 2.095 10 0 AEAEMO Oc1cc([C@H]2CCC[NH2+]2)cc(F)c1F 72201779 572651326 /nfs/dbraw/zinc/65/13/26/572651326.db2.gz GUBQWSYHBYIGNB-MRVPVSSYSA-N 1 1 199.200 2.095 10 0 AEAEMO Oc1cc([C@@H]2CCC[NH2+]2)cc(F)c1F 72201778 572651981 /nfs/dbraw/zinc/65/19/81/572651981.db2.gz GUBQWSYHBYIGNB-QMMMGPOBSA-N 1 1 199.200 2.095 10 0 AEAEMO Oc1cc(F)c([C@@H]2CCC[NH2+]2)cc1F 72201762 572653076 /nfs/dbraw/zinc/65/30/76/572653076.db2.gz IJUSJJSNUYHFII-VIFPVBQESA-N 1 1 199.200 2.095 10 0 AEAEMO Oc1ccc([C@H]2CCC[NH2+]2)c(F)c1F 72201769 572653117 /nfs/dbraw/zinc/65/31/17/572653117.db2.gz XGJMTOPISZJCQG-SSDOTTSWSA-N 1 1 199.200 2.095 10 0 AEAEMO Oc1cc(F)c([C@H]2CCC[NH2+]2)cc1F 72201763 572653335 /nfs/dbraw/zinc/65/33/35/572653335.db2.gz IJUSJJSNUYHFII-SECBINFHSA-N 1 1 199.200 2.095 10 0 AEAEMO CC(C)(C)C[C@@H]([NH3+])c1ncco1 74333095 572654935 /nfs/dbraw/zinc/65/49/35/572654935.db2.gz MPKQTLASRKKYFA-SSDOTTSWSA-N 1 1 168.240 2.111 10 0 AEAEMO CC(C)[C@@H]([NH3+])c1c[nH]cc2ccnc1-2 713731111 572654948 /nfs/dbraw/zinc/65/49/48/572654948.db2.gz VEFPEPHWBQJKHW-SNVBAGLBSA-N 1 1 189.262 2.219 10 0 AEAEMO Cc1cnc([C@@H]([NH3+])C(C)(C)C)o1 74333194 572655208 /nfs/dbraw/zinc/65/52/08/572655208.db2.gz YGDASWBPZSTNJR-SSDOTTSWSA-N 1 1 168.240 2.029 10 0 AEAEMO C/C=C\CC[N@H+]1CCC(=O)C[C@H]1C 308086728 572655845 /nfs/dbraw/zinc/65/58/45/572655845.db2.gz JEYAJRZVLJJXSS-UMBAGQNISA-N 1 1 181.279 2.006 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@@H](C)NC(C)(C)C1 251896453 572656218 /nfs/dbraw/zinc/65/62/18/572656218.db2.gz PJVPETVCHMHXJL-MNOVXSKESA-N 1 1 198.354 2.247 10 0 AEAEMO C/C=C\CC[N@H+]1CCC(=O)C[C@@H]1C 308086729 572656366 /nfs/dbraw/zinc/65/63/66/572656366.db2.gz JEYAJRZVLJJXSS-XOULXFPDSA-N 1 1 181.279 2.006 10 0 AEAEMO CC(C)(C)C[C@H]([NH3+])c1ncco1 74333088 572656888 /nfs/dbraw/zinc/65/68/88/572656888.db2.gz MPKQTLASRKKYFA-ZETCQYMHSA-N 1 1 168.240 2.111 10 0 AEAEMO CC[C@@H](C)[N@H+]1CC[C@@H](C)NC(C)(C)C1 251896451 572657397 /nfs/dbraw/zinc/65/73/97/572657397.db2.gz PJVPETVCHMHXJL-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO CC(C)[C@H]([NH3+])c1c[nH]cc2ccnc1-2 713731109 572657557 /nfs/dbraw/zinc/65/75/57/572657557.db2.gz VEFPEPHWBQJKHW-JTQLQIEISA-N 1 1 189.262 2.219 10 0 AEAEMO CCCCCC[N@@H+](C)CCCCO 116084252 572657824 /nfs/dbraw/zinc/65/78/24/572657824.db2.gz YAHGFVLLWCHSSL-UHFFFAOYSA-N 1 1 187.327 2.271 10 0 AEAEMO Cc1cnc([C@H]([NH3+])C(C)(C)C)o1 74333186 572658536 /nfs/dbraw/zinc/65/85/36/572658536.db2.gz YGDASWBPZSTNJR-ZETCQYMHSA-N 1 1 168.240 2.029 10 0 AEAEMO CC[N@@H+](CC[C@@H](C)F)C1CC1 307859110 572658853 /nfs/dbraw/zinc/65/88/53/572658853.db2.gz DZOFFSSSZFHZJL-MRVPVSSYSA-N 1 1 159.248 2.219 10 0 AEAEMO CC(C)C[N@@H+](C)CC[C@H](C)F 307858641 572659300 /nfs/dbraw/zinc/65/93/00/572659300.db2.gz DVBMKJJTWYROJW-VIFPVBQESA-N 1 1 161.264 2.322 10 0 AEAEMO CC[N@@H+](CC[C@H](C)F)C1CC1 307859111 572659749 /nfs/dbraw/zinc/65/97/49/572659749.db2.gz DZOFFSSSZFHZJL-QMMMGPOBSA-N 1 1 159.248 2.219 10 0 AEAEMO CC[C@@H](C)[N@H+]1CC[C@@H](C)NCC1(C)C 251945518 572659829 /nfs/dbraw/zinc/65/98/29/572659829.db2.gz SZQBWAAPHDUCFR-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H](C)[N@H+]1CC(C)(C)CNC[C@H]1C 252032494 572660071 /nfs/dbraw/zinc/66/00/71/572660071.db2.gz ZOLRGEGPLCPGIA-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)N1CC(C)(C)C[NH2+]C[C@H]1C 252032494 572660077 /nfs/dbraw/zinc/66/00/77/572660077.db2.gz ZOLRGEGPLCPGIA-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[N@H+]1[C@@H](C)CCNCC1(C)C 251950379 572660812 /nfs/dbraw/zinc/66/08/12/572660812.db2.gz UJMVYEWFWWITOR-QWRGUYRKSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H](C)[N@H+]1[C@@H](C)CCNCC1(C)C 251950377 572661933 /nfs/dbraw/zinc/66/19/33/572661933.db2.gz UJMVYEWFWWITOR-MNOVXSKESA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](C)[N@H+]1CC(C)(C)CNC[C@H]1C 252032496 572662063 /nfs/dbraw/zinc/66/20/63/572662063.db2.gz ZOLRGEGPLCPGIA-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)N1CC(C)(C)C[NH2+]C[C@H]1C 252032496 572662069 /nfs/dbraw/zinc/66/20/69/572662069.db2.gz ZOLRGEGPLCPGIA-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCCCC[N@H+]1CC[C@@H](C)[C@H](O)C1 299891039 572662667 /nfs/dbraw/zinc/66/26/67/572662667.db2.gz DTDWCBJGIDDSAD-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@@H](C)NCC1(C)C 251945519 572662822 /nfs/dbraw/zinc/66/28/22/572662822.db2.gz SZQBWAAPHDUCFR-MNOVXSKESA-N 1 1 198.354 2.247 10 0 AEAEMO CCCCCC[N@H+]1CC[C@H](C)[C@H](O)C1 299891038 572664877 /nfs/dbraw/zinc/66/48/77/572664877.db2.gz DTDWCBJGIDDSAD-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(=O)C[C@H]1C[C@H](C)[N@H+](C)[C@H](C)C1 252211919 572668246 /nfs/dbraw/zinc/66/82/46/572668246.db2.gz YHWFUOKMAAGHCG-DOFRTFSJSA-N 1 1 183.295 2.084 10 0 AEAEMO C/C=C\CCNc1ccc(N)[nH+]c1 308089253 572671161 /nfs/dbraw/zinc/67/11/61/572671161.db2.gz ONMBNDAGWNASTB-IHWYPQMZSA-N 1 1 177.251 2.042 10 0 AEAEMO FC(F)C[NH2+]C[C@@H]1CCCCS1 87685595 572673526 /nfs/dbraw/zinc/67/35/26/572673526.db2.gz GKIZVHUSQVNHRA-ZETCQYMHSA-N 1 1 195.278 2.127 10 0 AEAEMO CC(C)CC[N@@H+]1CCC[C@@](C)(CN)C1 688700533 572674687 /nfs/dbraw/zinc/67/46/87/572674687.db2.gz AVZBRLLNMZBEOZ-LBPRGKRZSA-N 1 1 198.354 2.093 10 0 AEAEMO CC(C)CC[N@H+]1CCC[C@@](C)(CN)C1 688700533 572674689 /nfs/dbraw/zinc/67/46/89/572674689.db2.gz AVZBRLLNMZBEOZ-LBPRGKRZSA-N 1 1 198.354 2.093 10 0 AEAEMO CC(C)CC[N@@H+]1CCC[C@](C)(CN)C1 688700532 572674909 /nfs/dbraw/zinc/67/49/09/572674909.db2.gz AVZBRLLNMZBEOZ-GFCCVEGCSA-N 1 1 198.354 2.093 10 0 AEAEMO CC(C)CC[N@H+]1CCC[C@](C)(CN)C1 688700532 572674912 /nfs/dbraw/zinc/67/49/12/572674912.db2.gz AVZBRLLNMZBEOZ-GFCCVEGCSA-N 1 1 198.354 2.093 10 0 AEAEMO CC(C)CCc1ccc[nH+]c1N 70318446 572675737 /nfs/dbraw/zinc/67/57/37/572675737.db2.gz CNMXJVBCULJSQN-UHFFFAOYSA-N 1 1 164.252 2.252 10 0 AEAEMO CC[NH2+][C@H](Cc1ccccc1)C(F)F 87687384 572676611 /nfs/dbraw/zinc/67/66/11/572676611.db2.gz PYOQOBUBTPIYPI-SNVBAGLBSA-N 1 1 199.244 2.472 10 0 AEAEMO C[NH2+][C@@H](Cc1ccccc1)C(F)F 87687381 572676758 /nfs/dbraw/zinc/67/67/58/572676758.db2.gz RKRYCCGPBVPTFD-VIFPVBQESA-N 1 1 185.217 2.082 10 0 AEAEMO CC[NH2+][C@@H](Cc1ccccc1)C(F)F 87687383 572677607 /nfs/dbraw/zinc/67/76/07/572677607.db2.gz PYOQOBUBTPIYPI-JTQLQIEISA-N 1 1 199.244 2.472 10 0 AEAEMO C[NH2+][C@H](Cc1ccccc1)C(F)F 87687382 572678758 /nfs/dbraw/zinc/67/87/58/572678758.db2.gz RKRYCCGPBVPTFD-SECBINFHSA-N 1 1 185.217 2.082 10 0 AEAEMO C[NH2+][C@@](C)(Cc1ccccc1)C(F)F 87688667 572679936 /nfs/dbraw/zinc/67/99/36/572679936.db2.gz WDCKJPKGIQLOQT-NSHDSACASA-N 1 1 199.244 2.472 10 0 AEAEMO C[NH2+][C@@](C)(CC(C)(C)OC)C(F)F 87688664 572680109 /nfs/dbraw/zinc/68/01/09/572680109.db2.gz JNDLUXYHKBTDBF-VIFPVBQESA-N 1 1 195.253 2.045 10 0 AEAEMO CCC[NH2+][C@](CC)(COC)C(F)F 87689273 572680884 /nfs/dbraw/zinc/68/08/84/572680884.db2.gz AYRHXKLNSWKDEC-SECBINFHSA-N 1 1 195.253 2.046 10 0 AEAEMO CCCCC[C@@H]([NH2+]C)C(F)F 87688713 572681217 /nfs/dbraw/zinc/68/12/17/572681217.db2.gz IYMAFLZVEJZLLU-SSDOTTSWSA-N 1 1 165.227 2.420 10 0 AEAEMO C[NH2+][C@](C)(Cc1ccccc1)C(F)F 87688666 572681463 /nfs/dbraw/zinc/68/14/63/572681463.db2.gz WDCKJPKGIQLOQT-LLVKDONJSA-N 1 1 199.244 2.472 10 0 AEAEMO C[C@@H](C[N@@H+](C)C1CCCCC1)[C@@H](C)O 238406594 572681623 /nfs/dbraw/zinc/68/16/23/572681623.db2.gz VYMPPGSLRDUGOB-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCCC[C@H]([NH2+]C)C(F)F 87688712 572681625 /nfs/dbraw/zinc/68/16/25/572681625.db2.gz IYMAFLZVEJZLLU-ZETCQYMHSA-N 1 1 165.227 2.420 10 0 AEAEMO C/C=C\C[N@H+]1C[C@H](C)S[C@H](C)C1 393370210 572681827 /nfs/dbraw/zinc/68/18/27/572681827.db2.gz LSVDGLPZBPLBLU-QOYVELHUSA-N 1 1 185.336 2.388 10 0 AEAEMO CCC[NH2+][C@@](CC)(COC)C(F)F 87689272 572682249 /nfs/dbraw/zinc/68/22/49/572682249.db2.gz AYRHXKLNSWKDEC-VIFPVBQESA-N 1 1 195.253 2.046 10 0 AEAEMO C[NH2+][C@](C)(CC(C)(C)OC)C(F)F 87688665 572682964 /nfs/dbraw/zinc/68/29/64/572682964.db2.gz JNDLUXYHKBTDBF-SECBINFHSA-N 1 1 195.253 2.045 10 0 AEAEMO CCCN[C@@H]1CCCC[C@@H]1[NH2+]CCC 116415322 572686524 /nfs/dbraw/zinc/68/65/24/572686524.db2.gz IHVIFYYEXXBYSX-TXEJJXNPSA-N 1 1 198.354 2.297 10 0 AEAEMO CCCN[C@H]1CCCC[C@H]1[NH2+]CCC 116415322 572686526 /nfs/dbraw/zinc/68/65/26/572686526.db2.gz IHVIFYYEXXBYSX-TXEJJXNPSA-N 1 1 198.354 2.297 10 0 AEAEMO CCCC[C@H](C)NC[C@@H]1[NH2+]CC[C@H]1C 299895670 572686598 /nfs/dbraw/zinc/68/65/98/572686598.db2.gz AUCZXSHVVIDIQU-WOPDTQHZSA-N 1 1 198.354 2.153 10 0 AEAEMO C[N@H+]1CC[C@H]2CCc3ccncc3[C@H]21 13600374 572687030 /nfs/dbraw/zinc/68/70/30/572687030.db2.gz ZZGFWRKTYORFQP-PWSUYJOCSA-N 1 1 188.274 2.021 10 0 AEAEMO C[C@@H](CC1CCCCC1)[N@@H+](C)CCO 238408178 572687194 /nfs/dbraw/zinc/68/71/94/572687194.db2.gz NRQOBGBZPLKRHY-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CCCC[C@H](C)NC[C@H]1[NH2+]CC[C@H]1C 299895669 572687476 /nfs/dbraw/zinc/68/74/76/572687476.db2.gz AUCZXSHVVIDIQU-GRYCIOLGSA-N 1 1 198.354 2.153 10 0 AEAEMO CC[NH2+]Cc1c(C)n[nH]c1C(C)(C)C 66135338 572687483 /nfs/dbraw/zinc/68/74/83/572687483.db2.gz GBOCOIQSBGKSHE-UHFFFAOYSA-N 1 1 195.310 2.125 10 0 AEAEMO CC[C@@H](C)[NH2+]c1ccc(N)cc1N 66153353 572688512 /nfs/dbraw/zinc/68/85/12/572688512.db2.gz KRHYIZVNGKOKAY-SSDOTTSWSA-N 1 1 179.267 2.061 10 0 AEAEMO CCCC[NH2+]c1ccc(N)cc1N 66153360 572688763 /nfs/dbraw/zinc/68/87/63/572688763.db2.gz GHHCQAXLJFYJCS-UHFFFAOYSA-N 1 1 179.267 2.063 10 0 AEAEMO Nc1ccc([NH2+]C2CCCC2)c(N)c1 66153323 572689041 /nfs/dbraw/zinc/68/90/41/572689041.db2.gz FGDCGWBQEDBSEN-UHFFFAOYSA-N 1 1 191.278 2.206 10 0 AEAEMO CC[C@H](C)[NH2+]c1ccc(N)cc1N 66153354 572689331 /nfs/dbraw/zinc/68/93/31/572689331.db2.gz KRHYIZVNGKOKAY-ZETCQYMHSA-N 1 1 179.267 2.061 10 0 AEAEMO Cc1ccc2oc(C(N)=[NH2+])cc2c1 77069967 572689606 /nfs/dbraw/zinc/68/96/06/572689606.db2.gz SECXJRUCYYBHNS-UHFFFAOYSA-N 1 1 174.203 2.025 10 0 AEAEMO CCCCCc1[nH]nc(C)c1C[NH2+]C 66135517 572690111 /nfs/dbraw/zinc/69/01/11/572690111.db2.gz GQKZHFKQBGBJIF-UHFFFAOYSA-N 1 1 195.310 2.170 10 0 AEAEMO CC(C)(C)[NH2+]c1ccc(N)cc1N 66153291 572690783 /nfs/dbraw/zinc/69/07/83/572690783.db2.gz RTNZXSGPZARQPJ-UHFFFAOYSA-N 1 1 179.267 2.061 10 0 AEAEMO Cc1n[nH]c(C2CCCCC2)c1C[NH3+] 66135308 572691025 /nfs/dbraw/zinc/69/10/25/572691025.db2.gz OBKMTMVPJGZLCK-UHFFFAOYSA-N 1 1 193.294 2.225 10 0 AEAEMO CC[C@H](C)CNc1[nH+]cccc1N 54466650 572692294 /nfs/dbraw/zinc/69/22/94/572692294.db2.gz WMKPWSGBFVWEJW-QMMMGPOBSA-N 1 1 179.267 2.122 10 0 AEAEMO CC[C@H](C)CNc1ccc(N)c[nH+]1 54466708 572693022 /nfs/dbraw/zinc/69/30/22/572693022.db2.gz WJNHZMNQEJZSMM-QMMMGPOBSA-N 1 1 179.267 2.122 10 0 AEAEMO C[C@@H]1CCC[C@@H]([NH2+]CC2(N)CC2)CC1 235303165 572693262 /nfs/dbraw/zinc/69/32/62/572693262.db2.gz GKKJTOPPCMPWCJ-GHMZBOCLSA-N 1 1 196.338 2.036 10 0 AEAEMO CCCn1c[nH+]cc1Cn1cccc1 85192659 572694240 /nfs/dbraw/zinc/69/42/40/572694240.db2.gz PERJGVZOYFMNGB-UHFFFAOYSA-N 1 1 189.262 2.143 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCC(=O)C[C@@H]1C 54472805 572694878 /nfs/dbraw/zinc/69/48/78/572694878.db2.gz DOODVFRTMQGVOQ-UWVGGRQHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CCC(=O)C[C@@H]1C 54472802 572695230 /nfs/dbraw/zinc/69/52/30/572695230.db2.gz DOODVFRTMQGVOQ-ZJUUUORDSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@@H](C)CNc1[nH+]cccc1N 54466648 572695653 /nfs/dbraw/zinc/69/56/53/572695653.db2.gz WMKPWSGBFVWEJW-MRVPVSSYSA-N 1 1 179.267 2.122 10 0 AEAEMO CC[C@@H](C)CNc1ccc(N)c[nH+]1 54466706 572695838 /nfs/dbraw/zinc/69/58/38/572695838.db2.gz WJNHZMNQEJZSMM-MRVPVSSYSA-N 1 1 179.267 2.122 10 0 AEAEMO CC[N@@H+](C)[C@@H]1C[C@H](C(C)C)CC[C@@H]1N 54554828 572697641 /nfs/dbraw/zinc/69/76/41/572697641.db2.gz RVQUDEUJAWUREX-GRYCIOLGSA-N 1 1 198.354 2.090 10 0 AEAEMO CCN(C)[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] 54554828 572697642 /nfs/dbraw/zinc/69/76/42/572697642.db2.gz RVQUDEUJAWUREX-GRYCIOLGSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC(CC)[N@@H+](C)C[C@@H]1CCC[C@H]1O 250374907 572698554 /nfs/dbraw/zinc/69/85/54/572698554.db2.gz BJUICESGLVYDMB-CMPLNLGQSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC(CC)[N@@H+](C)C[C@H]1CCC[C@H]1O 250374909 572698562 /nfs/dbraw/zinc/69/85/62/572698562.db2.gz BJUICESGLVYDMB-ZYHUDNBSSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)C1CCC(C[NH3+])(N(C)C)CC1 54556961 572698733 /nfs/dbraw/zinc/69/87/33/572698733.db2.gz UULNPWAXQSFING-UHFFFAOYSA-N 1 1 198.354 2.092 10 0 AEAEMO C/C=C/C[N@H+](CC)[C@H]1CCC[C@H]1C[NH3+] 253630762 572699837 /nfs/dbraw/zinc/69/98/37/572699837.db2.gz CMMMXEOYIRXPLQ-SCBUBVSKSA-N 1 1 196.338 2.012 10 0 AEAEMO Cc1ccc([C@H](C)[N@@H+](C)CCO)s1 308095438 572700115 /nfs/dbraw/zinc/70/01/15/572700115.db2.gz MBKAPOJECGQNTC-VIFPVBQESA-N 1 1 199.319 2.042 10 0 AEAEMO CC[N@@H+](C)[C@@H]1C[C@H](C(C)C)CC[C@@H]1O 54558215 572700140 /nfs/dbraw/zinc/70/01/40/572700140.db2.gz SGXSYJKTYYEWOD-UTUOFQBUSA-N 1 1 199.338 2.124 10 0 AEAEMO CC(C)(C)C[N@H+]1[C@H]2CC[C@@H]1CC(=O)C2 54626647 572701027 /nfs/dbraw/zinc/70/10/27/572701027.db2.gz GQWCWWLQWMHAFF-AOOOYVTPSA-N 1 1 195.306 2.228 10 0 AEAEMO CC(C)=CCC[C@H](C)[NH+]1CCNCC1 238419139 572702010 /nfs/dbraw/zinc/70/20/10/572702010.db2.gz DDMGBWKXIXYFDL-LBPRGKRZSA-N 1 1 196.338 2.027 10 0 AEAEMO CC(C)[C@@H](C)[N@H+]1[C@H]2CC[C@@H]1CC(=O)C2 54603001 572701508 /nfs/dbraw/zinc/70/15/08/572701508.db2.gz UFLMWRCODFCIRC-MXWKQRLJSA-N 1 1 195.306 2.227 10 0 AEAEMO CCC[C@H](C)[N@H+]1[C@H]2CC[C@@H]1CC(=O)C2 54603080 572701653 /nfs/dbraw/zinc/70/16/53/572701653.db2.gz AWGXMGFTWKZCNC-GARJFASQSA-N 1 1 195.306 2.371 10 0 AEAEMO C/C=C/C[N@@H+](C)[C@H]1CCCC[C@H]1C[NH3+] 253630765 572701693 /nfs/dbraw/zinc/70/16/93/572701693.db2.gz NOWKNUMLMWOEAK-QSKOYVBTSA-N 1 1 196.338 2.012 10 0 AEAEMO CC[C@@H](C)C[N@H+]1[C@H]2CC[C@@H]1CC(=O)C2 54626562 572701845 /nfs/dbraw/zinc/70/18/45/572701845.db2.gz HORDTWJXVOZVIZ-MXWKQRLJSA-N 1 1 195.306 2.228 10 0 AEAEMO O=C1C[C@@H]2CCC[C@H](C1)[N@H+]2C1CCC1 54601087 572702294 /nfs/dbraw/zinc/70/22/94/572702294.db2.gz PQQWCFPQAOPAGP-PHIMTYICSA-N 1 1 193.290 2.125 10 0 AEAEMO CCC(CC)[N@H+]1[C@H]2CC[C@@H]1CC(=O)C2 54602979 572702341 /nfs/dbraw/zinc/70/23/41/572702341.db2.gz LLKPWNPKAQIJNN-PHIMTYICSA-N 1 1 195.306 2.371 10 0 AEAEMO CCC[N@@H+](CCCCO)C(C)(C)C 308096571 572702531 /nfs/dbraw/zinc/70/25/31/572702531.db2.gz NNIDWGMCIIMVRJ-UHFFFAOYSA-N 1 1 187.327 2.269 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1[C@H]2CC[C@@H]1CC(=O)C2 54603002 572703084 /nfs/dbraw/zinc/70/30/84/572703084.db2.gz UFLMWRCODFCIRC-GARJFASQSA-N 1 1 195.306 2.227 10 0 AEAEMO CC[C@H](C)C[N@H+]1[C@H]2CC[C@@H]1CC(=O)C2 54626564 572703190 /nfs/dbraw/zinc/70/31/90/572703190.db2.gz HORDTWJXVOZVIZ-GARJFASQSA-N 1 1 195.306 2.228 10 0 AEAEMO CC(C)CC[N@H+]1[C@H]2CC[C@@H]1CC(=O)C2 54603037 572703462 /nfs/dbraw/zinc/70/34/62/572703462.db2.gz VNVKOHGRCDFDOJ-PHIMTYICSA-N 1 1 195.306 2.228 10 0 AEAEMO CC1([N@H+]2CCC[C@H](N)C2)CCCCC1 70586010 572703836 /nfs/dbraw/zinc/70/38/36/572703836.db2.gz NVXUXISGBCPDEQ-NSHDSACASA-N 1 1 196.338 2.132 10 0 AEAEMO CC[C@H](C)[N@@H+]1C[C@H](C(C)C)C[C@@H](N)C1 253620146 572703879 /nfs/dbraw/zinc/70/38/79/572703879.db2.gz BGWACELDAQHZIO-QJPTWQEYSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@H](C)N1C[C@H](C(C)C)C[C@@H]([NH3+])C1 253620146 572703882 /nfs/dbraw/zinc/70/38/82/572703882.db2.gz BGWACELDAQHZIO-QJPTWQEYSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC[C@@H](C)[N@H+]1[C@H]2CC[C@@H]1CC(=O)C2 54603079 572704073 /nfs/dbraw/zinc/70/40/73/572704073.db2.gz AWGXMGFTWKZCNC-MXWKQRLJSA-N 1 1 195.306 2.371 10 0 AEAEMO C[C@@H]1CC[N@H+]1[C@H](CO)C1CCCCC1 307621381 572704256 /nfs/dbraw/zinc/70/42/56/572704256.db2.gz BYGUJDGPRUVUMU-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC(C)(C)[N@H+]1[C@H]2CC[C@@H]1CC(=O)C2 54602981 572704384 /nfs/dbraw/zinc/70/43/84/572704384.db2.gz MHBRNGFDGDLAQD-AOOOYVTPSA-N 1 1 195.306 2.371 10 0 AEAEMO CC1([N@H+]2CCC[C@@H](N)C2)CCCCC1 70586011 572704454 /nfs/dbraw/zinc/70/44/54/572704454.db2.gz NVXUXISGBCPDEQ-LLVKDONJSA-N 1 1 196.338 2.132 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@@H](N)C[C@H](C(C)C)C1 253620148 572704812 /nfs/dbraw/zinc/70/48/12/572704812.db2.gz BGWACELDAQHZIO-SRVKXCTJSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@H](C)N1C[C@@H]([NH3+])C[C@H](C(C)C)C1 253620148 572704815 /nfs/dbraw/zinc/70/48/15/572704815.db2.gz BGWACELDAQHZIO-SRVKXCTJSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@@H]1CC[N@H+]1[C@@H](CO)C1CCCCC1 307621379 572704860 /nfs/dbraw/zinc/70/48/60/572704860.db2.gz BYGUJDGPRUVUMU-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1C(=O)CC[N@@H+](CC2(C)CC2)[C@@H]1C 235312439 572705142 /nfs/dbraw/zinc/70/51/42/572705142.db2.gz ICGXVKFCEFQUSX-NXEZZACHSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@H](N)C[C@H](C(C)C)C1 253620147 572705268 /nfs/dbraw/zinc/70/52/68/572705268.db2.gz BGWACELDAQHZIO-SDDRHHMPSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@H](C)N1C[C@H]([NH3+])C[C@H](C(C)C)C1 253620147 572705273 /nfs/dbraw/zinc/70/52/73/572705273.db2.gz BGWACELDAQHZIO-SDDRHHMPSA-N 1 1 198.354 2.090 10 0 AEAEMO CCCCC[N@H+]1C[C@H](C)CNC[C@H]1C 253620317 572705303 /nfs/dbraw/zinc/70/53/03/572705303.db2.gz ZIABKBFNURIQOJ-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCCN1C[C@H](C)C[NH2+]C[C@H]1C 253620317 572705305 /nfs/dbraw/zinc/70/53/05/572705305.db2.gz ZIABKBFNURIQOJ-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[N@@H+](C)[C@]1(CN)CCC(C)(C)C1 87772515 572705347 /nfs/dbraw/zinc/70/53/47/572705347.db2.gz UGROYLQSTZDULS-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCC[N@H+]1C[C@@H](C)CNC[C@H]1C 253620316 572705367 /nfs/dbraw/zinc/70/53/67/572705367.db2.gz ZIABKBFNURIQOJ-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[N@@H+](C)[C@@]1(CN)CCC(C)(C)C1 87772516 572705371 /nfs/dbraw/zinc/70/53/71/572705371.db2.gz UGROYLQSTZDULS-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCCN1C[C@@H](C)C[NH2+]C[C@H]1C 253620316 572705372 /nfs/dbraw/zinc/70/53/72/572705372.db2.gz ZIABKBFNURIQOJ-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO C[C@H]1CC[N@H+]1[C@@H](CO)C1CCCCC1 307621378 572705542 /nfs/dbraw/zinc/70/55/42/572705542.db2.gz BYGUJDGPRUVUMU-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1CC[N@H+]1[C@H](CO)C1CCCCC1 307621376 572705590 /nfs/dbraw/zinc/70/55/90/572705590.db2.gz BYGUJDGPRUVUMU-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO CCN1CCC[C@@H]([NH3+])[C@H]1CC(C)(C)C 253621168 572707342 /nfs/dbraw/zinc/70/73/42/572707342.db2.gz LCPICFCFPXRZBO-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO C=C/C=C/CCNc1[nH+]cccc1N 713468541 572706887 /nfs/dbraw/zinc/70/68/87/572706887.db2.gz PMZKCYVIQMKLOM-ONEGZZNKSA-N 1 1 189.262 2.208 10 0 AEAEMO CC(C)(C)[NH2+]CC(F)(F)C(F)F 85210552 572707076 /nfs/dbraw/zinc/70/70/76/572707076.db2.gz QLXBJIQGQJPFSR-UHFFFAOYSA-N 1 1 187.180 2.275 10 0 AEAEMO CC(C)=CC[N@H+](C)C(C)(C)C[C@@H](C)O 238427573 572707092 /nfs/dbraw/zinc/70/70/92/572707092.db2.gz YYMKSCPFIYJZHN-LLVKDONJSA-N 1 1 199.338 2.434 10 0 AEAEMO CC[N@H+]1CCC[C@@H](N)[C@H]1CC(C)(C)C 253621168 572707339 /nfs/dbraw/zinc/70/73/39/572707339.db2.gz LCPICFCFPXRZBO-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)=CC[N@H+](C)C(C)(C)C[C@H](C)O 238425901 572707340 /nfs/dbraw/zinc/70/73/40/572707340.db2.gz YYMKSCPFIYJZHN-NSHDSACASA-N 1 1 199.338 2.434 10 0 AEAEMO C=C/C=C\CCNc1[nH+]cccc1N 713468540 572707352 /nfs/dbraw/zinc/70/73/52/572707352.db2.gz PMZKCYVIQMKLOM-ARJAWSKDSA-N 1 1 189.262 2.208 10 0 AEAEMO CCCCC1=C[C@@H](C)[N@@H+](C)C1 21990264 572707356 /nfs/dbraw/zinc/70/73/56/572707356.db2.gz UFFCRMCGARQHIO-SECBINFHSA-N 1 1 153.269 2.437 10 0 AEAEMO Cc1ccc(N)c(C[N@H+](C)C2CC2)c1 70601678 572707541 /nfs/dbraw/zinc/70/75/41/572707541.db2.gz NHULHLVQMYCJTR-UHFFFAOYSA-N 1 1 190.290 2.171 10 0 AEAEMO CC(C)C1(Nc2[nH+]cccc2N)CC1 307626331 572707570 /nfs/dbraw/zinc/70/75/70/572707570.db2.gz HMDALJNNBINUSA-UHFFFAOYSA-N 1 1 191.278 2.264 10 0 AEAEMO CC[N@@H+](CCF)Cc1cccc(N)c1 87775880 572711453 /nfs/dbraw/zinc/71/14/53/572711453.db2.gz ZMUJMWRDOPUWRZ-UHFFFAOYSA-N 1 1 196.269 2.060 10 0 AEAEMO CC[N@H+]1CCC[C@H](N)[C@H]1CC(C)(C)C 253621169 572708728 /nfs/dbraw/zinc/70/87/28/572708728.db2.gz LCPICFCFPXRZBO-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCN1CCC[C@H]([NH3+])[C@H]1CC(C)(C)C 253621169 572708731 /nfs/dbraw/zinc/70/87/31/572708731.db2.gz LCPICFCFPXRZBO-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO FCCCC[N@H+]1CCC[C@@H]2C[C@@H]21 308095261 572708782 /nfs/dbraw/zinc/70/87/82/572708782.db2.gz XNVLIGRZAZMRFI-ZJUUUORDSA-N 1 1 171.259 2.220 10 0 AEAEMO CC[N@@H+](CCF)Cc1ccccc1N 87775881 572709094 /nfs/dbraw/zinc/70/90/94/572709094.db2.gz ZBTPLFMHAIVUEI-UHFFFAOYSA-N 1 1 196.269 2.060 10 0 AEAEMO FCCCC[N@H+]1CCC[C@H]2C[C@H]21 308095260 572709101 /nfs/dbraw/zinc/70/91/01/572709101.db2.gz XNVLIGRZAZMRFI-VHSXEESVSA-N 1 1 171.259 2.220 10 0 AEAEMO Cn1c(NC2CC2)[nH+]c2ccccc21 70609089 572709689 /nfs/dbraw/zinc/70/96/89/572709689.db2.gz CCTFSDAEADGBHI-UHFFFAOYSA-N 1 1 187.246 2.148 10 0 AEAEMO CCCCC1=C[C@H](C)[N@@H+](C)C1 21990267 572710056 /nfs/dbraw/zinc/71/00/56/572710056.db2.gz UFFCRMCGARQHIO-VIFPVBQESA-N 1 1 153.269 2.437 10 0 AEAEMO CC[C@H]1CCC[N@H+](C(C)(C)CN)CC1 70612998 572711669 /nfs/dbraw/zinc/71/16/69/572711669.db2.gz UGIYQXWSWPAWPG-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H]1CCC[N@H+](C(C)(C)CN)CC1 70612997 572712303 /nfs/dbraw/zinc/71/23/03/572712303.db2.gz UGIYQXWSWPAWPG-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)[N@@H+](C)[C@@H]1CC(C)(C)CC[C@@H]1N 70622980 572712581 /nfs/dbraw/zinc/71/25/81/572712581.db2.gz CDGIXWKVWRUUHW-WDEREUQCSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)N(C)[C@@H]1CC(C)(C)CC[C@@H]1[NH3+] 70622980 572712592 /nfs/dbraw/zinc/71/25/92/572712592.db2.gz CDGIXWKVWRUUHW-WDEREUQCSA-N 1 1 198.354 2.233 10 0 AEAEMO CCC[N@@H+](C1CCCCC1)C1CNC1 85270609 572712770 /nfs/dbraw/zinc/71/27/70/572712770.db2.gz CGGTXKQFFQNRIW-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO CCC[N@H+](C1CCCCC1)C1CNC1 85270609 572712774 /nfs/dbraw/zinc/71/27/74/572712774.db2.gz CGGTXKQFFQNRIW-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO CCC[N@@H+](C1CNC1)[C@@H](CC)C(C)C 85270569 572713366 /nfs/dbraw/zinc/71/33/66/572713366.db2.gz BFFFKIXVLNYOIN-LBPRGKRZSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@H+](C1CNC1)[C@@H](CC)C(C)C 85270569 572713370 /nfs/dbraw/zinc/71/33/70/572713370.db2.gz BFFFKIXVLNYOIN-LBPRGKRZSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@@H+](C1CNC1)[C@@H](C)CC(C)C 85270607 572714016 /nfs/dbraw/zinc/71/40/16/572714016.db2.gz QGJTTWCQWSQZHZ-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@H+](C1CNC1)[C@@H](C)CC(C)C 85270607 572714019 /nfs/dbraw/zinc/71/40/19/572714019.db2.gz QGJTTWCQWSQZHZ-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[N@@H+](C)[C@H]1CC(C)(C)CC[C@@H]1N 70622981 572714022 /nfs/dbraw/zinc/71/40/22/572714022.db2.gz CDGIXWKVWRUUHW-QWRGUYRKSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)N(C)[C@H]1CC(C)(C)CC[C@@H]1[NH3+] 70622981 572714025 /nfs/dbraw/zinc/71/40/25/572714025.db2.gz CDGIXWKVWRUUHW-QWRGUYRKSA-N 1 1 198.354 2.233 10 0 AEAEMO CCC[N@@H+](C1CNC1)[C@H](C)CC(C)C 85270608 572714151 /nfs/dbraw/zinc/71/41/51/572714151.db2.gz QGJTTWCQWSQZHZ-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@H+](C1CNC1)[C@H](C)CC(C)C 85270608 572714155 /nfs/dbraw/zinc/71/41/55/572714155.db2.gz QGJTTWCQWSQZHZ-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[C@@H](CN)[NH+]1CC(CCC)C1 87780367 572714195 /nfs/dbraw/zinc/71/41/95/572714195.db2.gz KMSWYLLGMXFQNH-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[N@@H+](C1CNC1)[C@@H](C)[C@@H](C)CC 85270583 572714246 /nfs/dbraw/zinc/71/42/46/572714246.db2.gz FRWUXDNRQBRZLM-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@H+](C1CNC1)[C@@H](C)[C@@H](C)CC 85270583 572714251 /nfs/dbraw/zinc/71/42/51/572714251.db2.gz FRWUXDNRQBRZLM-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[C@@H](CC)[N@H+](CC)C1CNC1 85258604 572714358 /nfs/dbraw/zinc/71/43/58/572714358.db2.gz GPPSABMQSHXGQF-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@@H](CC)[N@@H+](CC)C1CNC1 85258604 572714360 /nfs/dbraw/zinc/71/43/60/572714360.db2.gz GPPSABMQSHXGQF-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H]1CCC[N@H+]([C@@H](C)[C@@H](C)N)CC1 70613201 572714372 /nfs/dbraw/zinc/71/43/72/572714372.db2.gz XEPNAIYMGYFDJC-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CCCN([C@@H](C)[C@@H](C)[NH3+])CC1 70613201 572714376 /nfs/dbraw/zinc/71/43/76/572714376.db2.gz XEPNAIYMGYFDJC-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+](C1CNC1)[C@H](C)[C@@H](C)CC 85270584 572714525 /nfs/dbraw/zinc/71/45/25/572714525.db2.gz FRWUXDNRQBRZLM-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@H+](C1CNC1)[C@H](C)[C@@H](C)CC 85270584 572714528 /nfs/dbraw/zinc/71/45/28/572714528.db2.gz FRWUXDNRQBRZLM-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[C@H](CN)[NH+]1CC(CCC)C1 87780368 572714548 /nfs/dbraw/zinc/71/45/48/572714548.db2.gz KMSWYLLGMXFQNH-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC(CCC)[N@H+](CC)C1CNC1 85258702 572714595 /nfs/dbraw/zinc/71/45/95/572714595.db2.gz BAYBTXMUWRGSES-UHFFFAOYSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC(CCC)[N@@H+](CC)C1CNC1 85258702 572714601 /nfs/dbraw/zinc/71/46/01/572714601.db2.gz BAYBTXMUWRGSES-UHFFFAOYSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@H](CN)[NH+]1CC(C(C)C)C1 87780285 572714802 /nfs/dbraw/zinc/71/48/02/572714802.db2.gz CGTZXHAYFFBVBL-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[N@@H+](C1CNC1)[C@H](CC)C(C)C 85270570 572715071 /nfs/dbraw/zinc/71/50/71/572715071.db2.gz BFFFKIXVLNYOIN-GFCCVEGCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@H+](C1CNC1)[C@H](CC)C(C)C 85270570 572715072 /nfs/dbraw/zinc/71/50/72/572715072.db2.gz BFFFKIXVLNYOIN-GFCCVEGCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H](C)C[N@H+](CCC)C1CNC1 85270704 572715279 /nfs/dbraw/zinc/71/52/79/572715279.db2.gz JMRBQMXNUGJMSQ-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](CCC)C1CNC1 85270704 572715281 /nfs/dbraw/zinc/71/52/81/572715281.db2.gz JMRBQMXNUGJMSQ-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)C[N@@H+](CCC)C1CNC1 85270705 572715677 /nfs/dbraw/zinc/71/56/77/572715677.db2.gz JMRBQMXNUGJMSQ-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)C[N@H+](CCC)C1CNC1 85270705 572715673 /nfs/dbraw/zinc/71/56/73/572715673.db2.gz JMRBQMXNUGJMSQ-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[C@H](CC)[N@H+](CC)C1CNC1 85258605 572715562 /nfs/dbraw/zinc/71/55/62/572715562.db2.gz GPPSABMQSHXGQF-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@H](CC)[N@@H+](CC)C1CNC1 85258605 572715567 /nfs/dbraw/zinc/71/55/67/572715567.db2.gz GPPSABMQSHXGQF-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@H+](CC(CC)CC)C1CNC1 85270613 572715696 /nfs/dbraw/zinc/71/56/96/572715696.db2.gz IJSDXWGSCJYPOW-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[N@@H+](CC(CC)CC)C1CNC1 85270613 572715701 /nfs/dbraw/zinc/71/57/01/572715701.db2.gz IJSDXWGSCJYPOW-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[C@@H](CN)[NH+]1CC(C(C)C)C1 87780283 572715734 /nfs/dbraw/zinc/71/57/34/572715734.db2.gz CGTZXHAYFFBVBL-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO Nc1[nH]c2c([nH+]1)CCCc1ccccc1-2 85279275 572719170 /nfs/dbraw/zinc/71/91/70/572719170.db2.gz PHSTZQDMEBVEJG-UHFFFAOYSA-N 1 1 199.257 2.148 10 0 AEAEMO CCN(CC)[C@@H]1CC(C)(C)CC[C@@H]1[NH3+] 70653882 572720668 /nfs/dbraw/zinc/72/06/68/572720668.db2.gz QPENSGFMHDAVAZ-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCN(CC)[C@H]1CC(C)(C)CC[C@@H]1[NH3+] 70653883 572720285 /nfs/dbraw/zinc/72/02/85/572720285.db2.gz QPENSGFMHDAVAZ-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO CCN(CC)[C@H]1CC(C)(C)CC[C@H]1[NH3+] 70653885 572720460 /nfs/dbraw/zinc/72/04/60/572720460.db2.gz QPENSGFMHDAVAZ-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO CCN(CC)[C@@H]1CC(C)(C)CC[C@H]1[NH3+] 70653884 572721016 /nfs/dbraw/zinc/72/10/16/572721016.db2.gz QPENSGFMHDAVAZ-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](C)C[C@@H]1CC(C)(C)CC[C@@H]1O 70655211 572721391 /nfs/dbraw/zinc/72/13/91/572721391.db2.gz JOXQPIJDPKDMIL-QWRGUYRKSA-N 1 1 199.338 2.125 10 0 AEAEMO [O-]c1cc(Cl)ccc1-c1c[nH]cn1 117619642 572721854 /nfs/dbraw/zinc/72/18/54/572721854.db2.gz IVNWMZUTYUGSKU-UHFFFAOYSA-N 1 1 194.621 2.436 10 0 AEAEMO CC[N@@H+](C)C[C@H]1CC(C)(C)CC[C@@H]1O 70655212 572721963 /nfs/dbraw/zinc/72/19/63/572721963.db2.gz JOXQPIJDPKDMIL-MNOVXSKESA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H](O)[C@@H](C)C[N@@H+](C)C1CCCCC1 238455716 572723879 /nfs/dbraw/zinc/72/38/79/572723879.db2.gz VYMPPGSLRDUGOB-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)C[N@@H+](C)Cc1cc[nH]c1 308100542 572727725 /nfs/dbraw/zinc/72/77/25/572727725.db2.gz GAIDJDCHUQSURP-UHFFFAOYSA-N 1 1 166.268 2.103 10 0 AEAEMO CCCC[C@H](C)Nc1cc(N)[nH+]cn1 87826521 572729116 /nfs/dbraw/zinc/72/91/16/572729116.db2.gz VNBXMGWSYGJACC-QMMMGPOBSA-N 1 1 194.282 2.049 10 0 AEAEMO CCCC[C@H](C)Nc1cc(N)nc[nH+]1 87826521 572729121 /nfs/dbraw/zinc/72/91/21/572729121.db2.gz VNBXMGWSYGJACC-QMMMGPOBSA-N 1 1 194.282 2.049 10 0 AEAEMO CCCC[C@@H](C)Nc1cc(N)[nH+]cn1 87826520 572729229 /nfs/dbraw/zinc/72/92/29/572729229.db2.gz VNBXMGWSYGJACC-MRVPVSSYSA-N 1 1 194.282 2.049 10 0 AEAEMO CCCC[C@@H](C)Nc1cc(N)nc[nH+]1 87826520 572729234 /nfs/dbraw/zinc/72/92/34/572729234.db2.gz VNBXMGWSYGJACC-MRVPVSSYSA-N 1 1 194.282 2.049 10 0 AEAEMO C/C=C\CC[NH2+][C@@H](C)C(F)F 307891073 572730766 /nfs/dbraw/zinc/73/07/66/572730766.db2.gz FCPPFWYIGPBBQR-AVALRIAPSA-N 1 1 163.211 2.196 10 0 AEAEMO CC(=O)CCC[N@@H+](CC1CC1)C1CC1 70736726 572732054 /nfs/dbraw/zinc/73/20/54/572732054.db2.gz LFSUZWKSHNKWRE-UHFFFAOYSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC[N@@H+](CC)C[C@H](F)CC 307891016 572732352 /nfs/dbraw/zinc/73/23/52/572732352.db2.gz ZMTGBUWMASJAGP-SECBINFHSA-N 1 1 161.264 2.466 10 0 AEAEMO CCC[N@@H+](CC)C[C@@H](F)CC 307891018 572732437 /nfs/dbraw/zinc/73/24/37/572732437.db2.gz ZMTGBUWMASJAGP-VIFPVBQESA-N 1 1 161.264 2.466 10 0 AEAEMO C[NH+](C)/C=C\c1ccccc1C=O 308102521 572733279 /nfs/dbraw/zinc/73/32/79/572733279.db2.gz GXSIHGSIPZBHGB-FPLPWBNLSA-N 1 1 175.231 2.031 10 0 AEAEMO CC[C@@H](F)C[N@@H+](C)[C@H](C)CC 307888415 572733492 /nfs/dbraw/zinc/73/34/92/572733492.db2.gz WXEVGQVPMXXIFN-RKDXNWHRSA-N 1 1 161.264 2.465 10 0 AEAEMO CC[C@H](F)C[N@@H+](C)[C@@H](C)CC 307888414 572733951 /nfs/dbraw/zinc/73/39/51/572733951.db2.gz WXEVGQVPMXXIFN-IUCAKERBSA-N 1 1 161.264 2.465 10 0 AEAEMO CC[C@H](F)C[N@@H+](C)[C@H](C)CC 307888412 572734661 /nfs/dbraw/zinc/73/46/61/572734661.db2.gz WXEVGQVPMXXIFN-BDAKNGLRSA-N 1 1 161.264 2.465 10 0 AEAEMO CC[C@H](C)[N@H+](C)C[C@H](F)CC 307888413 572734911 /nfs/dbraw/zinc/73/49/11/572734911.db2.gz WXEVGQVPMXXIFN-DTWKUNHWSA-N 1 1 161.264 2.465 10 0 AEAEMO CC(C)[C@@H]([NH3+])c1cnc2cc[nH]cc1-2 713740947 572735484 /nfs/dbraw/zinc/73/54/84/572735484.db2.gz BATYKRMTNOEXOU-LLVKDONJSA-N 1 1 189.262 2.219 10 0 AEAEMO CC(C)[C@H]([NH3+])c1cnc2cc[nH]cc1-2 713740949 572736436 /nfs/dbraw/zinc/73/64/36/572736436.db2.gz BATYKRMTNOEXOU-NSHDSACASA-N 1 1 189.262 2.219 10 0 AEAEMO CCCC[N@@H+](C)CC[C@H](C)F 307890129 572737036 /nfs/dbraw/zinc/73/70/36/572737036.db2.gz YRJHSPUFEYKNGM-VIFPVBQESA-N 1 1 161.264 2.466 10 0 AEAEMO Cc1c[nH+]c(N)c(-c2ccc(N)cc2)c1 238482746 572738508 /nfs/dbraw/zinc/73/85/08/572738508.db2.gz NPHXJGZNBOXUPH-UHFFFAOYSA-N 1 1 199.257 2.221 10 0 AEAEMO C[C@H](O)[C@H](C)C[N@@H+](C)C1CCCCC1 238481742 572738631 /nfs/dbraw/zinc/73/86/31/572738631.db2.gz VYMPPGSLRDUGOB-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H](F)C[N@@H+](CC)C1CC1 307895829 572740849 /nfs/dbraw/zinc/74/08/49/572740849.db2.gz INMCGBIGBJPWQI-MRVPVSSYSA-N 1 1 159.248 2.219 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@@H]1CNCC[C@@H]1C 85439264 572742267 /nfs/dbraw/zinc/74/22/67/572742267.db2.gz SYHSICYSHPTZFE-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](F)C[N@@H+](CC)C1CC1 307895831 572741175 /nfs/dbraw/zinc/74/11/75/572741175.db2.gz INMCGBIGBJPWQI-QMMMGPOBSA-N 1 1 159.248 2.219 10 0 AEAEMO CCCN(C(C)C)[C@@H]1C[NH2+]CC[C@@H]1C 85439264 572742274 /nfs/dbraw/zinc/74/22/74/572742274.db2.gz SYHSICYSHPTZFE-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H]1CCC[C@H]1Nc1ccc(N)c[nH+]1 70827877 572743358 /nfs/dbraw/zinc/74/33/58/572743358.db2.gz BPSUOBYZPHHOKT-PSASIEDQSA-N 1 1 191.278 2.264 10 0 AEAEMO CCCN(CCC)[C@H]1C[NH2+]CC[C@@H]1C 85439204 572741808 /nfs/dbraw/zinc/74/18/08/572741808.db2.gz ICYIDMANOONDGV-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[N@H+](CC)[C@@H]1CNCC[C@@H]1C 85439035 572741868 /nfs/dbraw/zinc/74/18/68/572741868.db2.gz ZJCKWQOZXDPTHX-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[N@@H+](CC)[C@@H]1CNCC[C@@H]1C 85439035 572741872 /nfs/dbraw/zinc/74/18/72/572741872.db2.gz ZJCKWQOZXDPTHX-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCN(CCC)[C@@H]1C[NH2+]CC[C@H]1C 85439206 572741979 /nfs/dbraw/zinc/74/19/79/572741979.db2.gz ICYIDMANOONDGV-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@@H]1CNCC[C@@H]1C 85439291 572742040 /nfs/dbraw/zinc/74/20/40/572742040.db2.gz KOHMAJVBEDECNC-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)N(CC)[C@@H]1C[NH2+]CC[C@@H]1C 85439291 572742043 /nfs/dbraw/zinc/74/20/43/572742043.db2.gz KOHMAJVBEDECNC-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCCC[N@H+](C)[C@@H]1CNCC[C@@H]1C 85439293 572742212 /nfs/dbraw/zinc/74/22/12/572742212.db2.gz DZKOMFKKUAEBFX-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCC[N@@H+](C)[C@@H]1CNCC[C@@H]1C 85439293 572742218 /nfs/dbraw/zinc/74/22/18/572742218.db2.gz DZKOMFKKUAEBFX-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO C[C@H]1CCC[C@H]1Nc1ccc(N)[nH+]c1 70828265 572742938 /nfs/dbraw/zinc/74/29/38/572742938.db2.gz ASBHWPMPFIIYKF-WCBMZHEXSA-N 1 1 191.278 2.264 10 0 AEAEMO C[C@H]1CCC[C@H]1[N@H+]1CCC(=O)[C@H](C)C1 70831908 572742960 /nfs/dbraw/zinc/74/29/60/572742960.db2.gz XTGXBPCJIOGVQQ-HBNTYKKESA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@H]1CCC[C@H]1Nc1[nH+]cccc1N 70828136 572743096 /nfs/dbraw/zinc/74/30/96/572743096.db2.gz KEIGBSUZLQPRLH-WCBMZHEXSA-N 1 1 191.278 2.264 10 0 AEAEMO C[C@@H]1C[N@@H+]([C@H]2CCC[C@H]2C)CCC1=O 70831899 572743364 /nfs/dbraw/zinc/74/33/64/572743364.db2.gz XTGXBPCJIOGVQQ-MXWKQRLJSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@H]1CCC[C@@H]1Nc1ccc(N)[nH+]c1 70828257 572743390 /nfs/dbraw/zinc/74/33/90/572743390.db2.gz ASBHWPMPFIIYKF-WPRPVWTQSA-N 1 1 191.278 2.264 10 0 AEAEMO C[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2C)CCC1=O 70831905 572746207 /nfs/dbraw/zinc/74/62/07/572746207.db2.gz XTGXBPCJIOGVQQ-GMTAPVOTSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@H]1CCC[C@H]1Nc1ccc(N)c[nH+]1 70827883 572743592 /nfs/dbraw/zinc/74/35/92/572743592.db2.gz BPSUOBYZPHHOKT-WCBMZHEXSA-N 1 1 191.278 2.264 10 0 AEAEMO FC(F)C[NH2+]CCc1ccsc1 49180581 572743614 /nfs/dbraw/zinc/74/36/14/572743614.db2.gz MCLPRNUVUJWZBV-UHFFFAOYSA-N 1 1 191.246 2.145 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@H]1CNCC[C@@H]1C 85439367 572743887 /nfs/dbraw/zinc/74/38/87/572743887.db2.gz LFRBLLOCSUWGBX-JQWIXIFHSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(CC)N(C)[C@H]1C[NH2+]CC[C@@H]1C 85439367 572743888 /nfs/dbraw/zinc/74/38/88/572743888.db2.gz LFRBLLOCSUWGBX-JQWIXIFHSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCN(CCC)[C@H]1C[NH2+]CC[C@H]1C 85439208 572743997 /nfs/dbraw/zinc/74/39/97/572743997.db2.gz ICYIDMANOONDGV-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO C[C@@H]1CCC[C@@H]1Nc1ccc(N)[nH+]c1 70828250 572744003 /nfs/dbraw/zinc/74/40/03/572744003.db2.gz ASBHWPMPFIIYKF-SCZZXKLOSA-N 1 1 191.278 2.264 10 0 AEAEMO CCCC[N@H+](CC)[C@H]1CNCC[C@@H]1C 85439037 572744064 /nfs/dbraw/zinc/74/40/64/572744064.db2.gz ZJCKWQOZXDPTHX-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[N@@H+](CC)[C@H]1CNCC[C@@H]1C 85439037 572744069 /nfs/dbraw/zinc/74/40/69/572744069.db2.gz ZJCKWQOZXDPTHX-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO C[C@@H]1CCC[C@@H]1Nc1ccc(N)c[nH+]1 70827868 572744088 /nfs/dbraw/zinc/74/40/88/572744088.db2.gz BPSUOBYZPHHOKT-SCZZXKLOSA-N 1 1 191.278 2.264 10 0 AEAEMO CCC[C@H](C)[N@H+](C)[C@@H]1CNCC[C@@H]1C 85439372 572744319 /nfs/dbraw/zinc/74/43/19/572744319.db2.gz XPUYNMWTSWCYNI-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H]1CCC[C@@H]1Nc1[nH+]cccc1N 70828126 572744320 /nfs/dbraw/zinc/74/43/20/572744320.db2.gz KEIGBSUZLQPRLH-SCZZXKLOSA-N 1 1 191.278 2.264 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@H]1CNCC[C@@H]1C 85439372 572744326 /nfs/dbraw/zinc/74/43/26/572744326.db2.gz XPUYNMWTSWCYNI-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCN(CCC)[C@@H]1C[NH2+]CC[C@@H]1C 85439202 572744498 /nfs/dbraw/zinc/74/44/98/572744498.db2.gz ICYIDMANOONDGV-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO C=C/C=C/CC[NH2+]CCNC(C)(C)C 713485120 572744529 /nfs/dbraw/zinc/74/45/29/572744529.db2.gz MKFHTRRPZULEJR-VOTSOKGWSA-N 1 1 196.338 2.096 10 0 AEAEMO C[C@H]1CCC[C@@H]1Nc1ccc(N)c[nH+]1 70827873 572745410 /nfs/dbraw/zinc/74/54/10/572745410.db2.gz BPSUOBYZPHHOKT-WPRPVWTQSA-N 1 1 191.278 2.264 10 0 AEAEMO C=C/C=C\CC[NH2+]CCNC(C)(C)C 713485119 572744806 /nfs/dbraw/zinc/74/48/06/572744806.db2.gz MKFHTRRPZULEJR-SREVYHEPSA-N 1 1 196.338 2.096 10 0 AEAEMO C[C@H]1CCC[C@@H]1[N@H+]1CCC(=O)[C@H](C)C1 70831901 572744860 /nfs/dbraw/zinc/74/48/60/572744860.db2.gz XTGXBPCJIOGVQQ-AXFHLTTASA-N 1 1 195.306 2.086 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@H]1CNCC[C@@H]1C 85439365 572745130 /nfs/dbraw/zinc/74/51/30/572745130.db2.gz LFRBLLOCSUWGBX-CMPLNLGQSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(CC)N(C)[C@@H]1C[NH2+]CC[C@@H]1C 85439365 572745133 /nfs/dbraw/zinc/74/51/33/572745133.db2.gz LFRBLLOCSUWGBX-CMPLNLGQSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCCC[N@H+](C)[C@H]1CNCC[C@@H]1C 85439295 572745162 /nfs/dbraw/zinc/74/51/62/572745162.db2.gz DZKOMFKKUAEBFX-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCC[N@@H+](C)[C@H]1CNCC[C@@H]1C 85439295 572745166 /nfs/dbraw/zinc/74/51/66/572745166.db2.gz DZKOMFKKUAEBFX-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@H]1CNCC[C@@H]1C 85439266 572745222 /nfs/dbraw/zinc/74/52/22/572745222.db2.gz SYHSICYSHPTZFE-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCN(C(C)C)[C@H]1C[NH2+]CC[C@@H]1C 85439266 572745226 /nfs/dbraw/zinc/74/52/26/572745226.db2.gz SYHSICYSHPTZFE-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@H]1CC[C@@H](N)C[N@H+]1CCC(C)(C)C 49256300 572746175 /nfs/dbraw/zinc/74/61/75/572746175.db2.gz NKGNHSSTBSKHSK-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]1CCC[C@H]1Nc1ccc(N)[nH+]c1 70828261 572745626 /nfs/dbraw/zinc/74/56/26/572745626.db2.gz ASBHWPMPFIIYKF-PSASIEDQSA-N 1 1 191.278 2.264 10 0 AEAEMO C[C@@H]1CCC[C@H]1Nc1[nH+]cccc1N 70828132 572745648 /nfs/dbraw/zinc/74/56/48/572745648.db2.gz KEIGBSUZLQPRLH-PSASIEDQSA-N 1 1 191.278 2.264 10 0 AEAEMO C[C@@H](F)CC[N@@H+](C)CC1CC1 307907270 572745782 /nfs/dbraw/zinc/74/57/82/572745782.db2.gz SOGZHZJPBHPRRA-MRVPVSSYSA-N 1 1 159.248 2.076 10 0 AEAEMO C[C@H](F)CC[N@@H+](C)CC1CC1 307907276 572745803 /nfs/dbraw/zinc/74/58/03/572745803.db2.gz SOGZHZJPBHPRRA-QMMMGPOBSA-N 1 1 159.248 2.076 10 0 AEAEMO CCCCCC[C@@H](C)[N@H+]1CC[C@H](N)C1 49216664 572747047 /nfs/dbraw/zinc/74/70/47/572747047.db2.gz SVFKOBNCHMXYSE-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO C[C@H]1CCC[C@@H]1Nc1[nH+]cccc1N 70828130 572746164 /nfs/dbraw/zinc/74/61/64/572746164.db2.gz KEIGBSUZLQPRLH-WPRPVWTQSA-N 1 1 191.278 2.264 10 0 AEAEMO C[C@H]1CC[C@@H]([NH3+])CN1CCC(C)(C)C 49256300 572746183 /nfs/dbraw/zinc/74/61/83/572746183.db2.gz NKGNHSSTBSKHSK-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@H+]1CCC[C@H](n2cccc2)C1 49224355 572746465 /nfs/dbraw/zinc/74/64/65/572746465.db2.gz RRCIHIBYGLRIJW-NSHDSACASA-N 1 1 178.279 2.145 10 0 AEAEMO CCCCCC[C@@H](C)N1CC[C@H]([NH3+])C1 49216664 572747062 /nfs/dbraw/zinc/74/70/62/572747062.db2.gz SVFKOBNCHMXYSE-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO C[C@@H]1CC[C@H]([NH3+])CN1CCC(C)(C)C 49256294 572747884 /nfs/dbraw/zinc/74/78/84/572747884.db2.gz NKGNHSSTBSKHSK-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]1CC[C@H](N)C[N@H+]1CCC(C)(C)C 49256294 572747871 /nfs/dbraw/zinc/74/78/71/572747871.db2.gz NKGNHSSTBSKHSK-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]1CC[C@@H](N)C[N@H+]1CCC(C)(C)C 49256298 572748147 /nfs/dbraw/zinc/74/81/47/572748147.db2.gz NKGNHSSTBSKHSK-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]1CC[C@@H]([NH3+])CN1CCC(C)(C)C 49256298 572748151 /nfs/dbraw/zinc/74/81/51/572748151.db2.gz NKGNHSSTBSKHSK-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]1CC[C@H](N)C[N@H+]1CCC(C)(C)C 49256296 572749464 /nfs/dbraw/zinc/74/94/64/572749464.db2.gz NKGNHSSTBSKHSK-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]1CC[C@H]([NH3+])CN1CCC(C)(C)C 49256296 572749468 /nfs/dbraw/zinc/74/94/68/572749468.db2.gz NKGNHSSTBSKHSK-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO Cc1ccncc1-c1c(C)cc[nH+]c1N 85442344 572749701 /nfs/dbraw/zinc/74/97/01/572749701.db2.gz ZMSHCNBBUILHBT-UHFFFAOYSA-N 1 1 199.257 2.343 10 0 AEAEMO C[C@@H]1CCC[C@](N)(C[NH2+]C2CCC2)C1 70906251 572751066 /nfs/dbraw/zinc/75/10/66/572751066.db2.gz GPPZREDTODRKLO-ZYHUDNBSSA-N 1 1 196.338 2.036 10 0 AEAEMO C[C@H]1CCC[C@](N)(C[NH2+]C2CCC2)C1 70906254 572751360 /nfs/dbraw/zinc/75/13/60/572751360.db2.gz GPPZREDTODRKLO-CMPLNLGQSA-N 1 1 196.338 2.036 10 0 AEAEMO C[C@H]1CCC[C@@](N)(C[NH2+]C2CCC2)C1 70906263 572751390 /nfs/dbraw/zinc/75/13/90/572751390.db2.gz GPPZREDTODRKLO-JQWIXIFHSA-N 1 1 196.338 2.036 10 0 AEAEMO CC(C)N(C)C[C@]1([NH3+])CCC[C@H](C)C1 70905262 572751984 /nfs/dbraw/zinc/75/19/84/572751984.db2.gz SJBKEQYFPXWSSF-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)N(C)C[C@@]1([NH3+])CCC[C@@H](C)C1 70905248 572752089 /nfs/dbraw/zinc/75/20/89/572752089.db2.gz SJBKEQYFPXWSSF-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)N(C)C[C@]1([NH3+])CCC[C@@H](C)C1 70905255 572752328 /nfs/dbraw/zinc/75/23/28/572752328.db2.gz SJBKEQYFPXWSSF-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]1CCC[C@](N)(C[NH2+]C(C)(C)C)C1 70905805 572753433 /nfs/dbraw/zinc/75/34/33/572753433.db2.gz HHBRQWHATGBKHK-CMPLNLGQSA-N 1 1 198.354 2.282 10 0 AEAEMO C/C=C\C[N@@H+](C(C)C)C1CC1 307909298 572752589 /nfs/dbraw/zinc/75/25/89/572752589.db2.gz VHWRBVWBQBUJON-PLNGDYQASA-N 1 1 153.269 2.435 10 0 AEAEMO C[C@@H]1CCC[C@@](N)(C[NH2+]C(C)(C)C)C1 70905808 572753043 /nfs/dbraw/zinc/75/30/43/572753043.db2.gz HHBRQWHATGBKHK-PWSUYJOCSA-N 1 1 198.354 2.282 10 0 AEAEMO C[C@H]1CCC[C@@](N)(C[NH2+]C(C)(C)C)C1 70905811 572753345 /nfs/dbraw/zinc/75/33/45/572753345.db2.gz HHBRQWHATGBKHK-JQWIXIFHSA-N 1 1 198.354 2.282 10 0 AEAEMO CC[C@H](O)[C@H](CC)[N@H+]1CCC[C@@H]1C 313110660 572753383 /nfs/dbraw/zinc/75/33/83/572753383.db2.gz LSQRGQHEKAPQHM-DCAQKATOSA-N 1 1 185.311 2.020 10 0 AEAEMO C[C@@H]1CCC[C@](N)(C[NH2+]C(C)(C)C)C1 70905798 572753404 /nfs/dbraw/zinc/75/34/04/572753404.db2.gz HHBRQWHATGBKHK-ZYHUDNBSSA-N 1 1 198.354 2.282 10 0 AEAEMO CC(C)N(C)C[C@@]1([NH3+])CCC[C@H](C)C1 70905251 572753918 /nfs/dbraw/zinc/75/39/18/572753918.db2.gz SJBKEQYFPXWSSF-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]1CCC[C@@](N)(C[NH2+]C2CCC2)C1 70906258 572754506 /nfs/dbraw/zinc/75/45/06/572754506.db2.gz GPPZREDTODRKLO-PWSUYJOCSA-N 1 1 196.338 2.036 10 0 AEAEMO CC(C)C[NH2+]C[C@@]1(N)CCC[C@H](C)C1 70905895 572754626 /nfs/dbraw/zinc/75/46/26/572754626.db2.gz BCJJSJLZICNYQJ-NWDGAFQWSA-N 1 1 198.354 2.140 10 0 AEAEMO Cl/C=C\C[N@H+]1CCC[C@@H]2C[C@@H]21 307909855 572754972 /nfs/dbraw/zinc/75/49/72/572754972.db2.gz VLQBHMYOGZDQFE-SJLHTBIVSA-N 1 1 171.671 2.223 10 0 AEAEMO CCC(CC)[N@@H+](C)CCCF 307909990 572755293 /nfs/dbraw/zinc/75/52/93/572755293.db2.gz VRLDSFQWPUPPJA-UHFFFAOYSA-N 1 1 161.264 2.466 10 0 AEAEMO CC(C)C[C@@H](CN)[N@@H+](C)[C@H](C)C1CC1 257363059 572758357 /nfs/dbraw/zinc/75/83/57/572758357.db2.gz XPSCHVIXXRDAJC-PWSUYJOCSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@H](CN)[N@@H+](C)[C@H](C)C1CC1 257363060 572758519 /nfs/dbraw/zinc/75/85/19/572758519.db2.gz XPSCHVIXXRDAJC-ZYHUDNBSSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@@H]1CNCC[N@H+]1C(C)(C)C 107092252 572760023 /nfs/dbraw/zinc/76/00/23/572760023.db2.gz CGKLFPFCOKBMFM-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO C[N@@H+](Cc1c(N)cccc1F)C1CC1 70961577 572761168 /nfs/dbraw/zinc/76/11/68/572761168.db2.gz ZETXFDOVSZXQLV-UHFFFAOYSA-N 1 1 194.253 2.002 10 0 AEAEMO C/C=C\C[N@@H+](C)[C@H](C)C1CC1 307913243 572761878 /nfs/dbraw/zinc/76/18/78/572761878.db2.gz ZBCIFTMFFOBNEK-XRVBUDJMSA-N 1 1 153.269 2.293 10 0 AEAEMO FC(F)C[NH2+]C[C@@H]1Cc2ccccc21 85578223 572762012 /nfs/dbraw/zinc/76/20/12/572762012.db2.gz CRAAJJLWAGWQOZ-VIFPVBQESA-N 1 1 197.228 2.181 10 0 AEAEMO FC(F)C[NH2+]C[C@H]1Cc2ccccc21 85578221 572762077 /nfs/dbraw/zinc/76/20/77/572762077.db2.gz CRAAJJLWAGWQOZ-SECBINFHSA-N 1 1 197.228 2.181 10 0 AEAEMO CCCCC[C@H](C)[N@H+]1CC[C@H](CO)C1 49474396 572762721 /nfs/dbraw/zinc/76/27/21/572762721.db2.gz FINYFXUHZCHWIA-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO C/C=C\C[N@@H+](C)[C@@H](C)C1CC1 307913242 572763191 /nfs/dbraw/zinc/76/31/91/572763191.db2.gz ZBCIFTMFFOBNEK-WBSSQXGSSA-N 1 1 153.269 2.293 10 0 AEAEMO CCCCC[C@@H](C)[N@H+]1CC[C@H](CO)C1 49474395 572763288 /nfs/dbraw/zinc/76/32/88/572763288.db2.gz FINYFXUHZCHWIA-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CSCC[N@@H+](C)CCCCF 307913218 572763301 /nfs/dbraw/zinc/76/33/01/572763301.db2.gz YXMDLLLRVORSKJ-UHFFFAOYSA-N 1 1 179.304 2.031 10 0 AEAEMO CCC(CC)C[N@H+]1CC[C@@H](C)[C@H]1CN 299907903 572764483 /nfs/dbraw/zinc/76/44/83/572764483.db2.gz HYPHWMOBMCMFPJ-ZYHUDNBSSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(CC)C[N@H+]1CC[C@H](C)[C@H]1CN 299907902 572764497 /nfs/dbraw/zinc/76/44/97/572764497.db2.gz HYPHWMOBMCMFPJ-CMPLNLGQSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[N@@H+](C)CC(C)(C)[C@H](C)O 85679905 572768772 /nfs/dbraw/zinc/76/87/72/572768772.db2.gz MBLZWPAGPJAHOI-JTQLQIEISA-N 1 1 187.327 2.125 10 0 AEAEMO CCCC[N@@H+](C)CC(C)(C)C(C)=O 85677134 572768958 /nfs/dbraw/zinc/76/89/58/572768958.db2.gz SVCBYERQNSMDIE-UHFFFAOYSA-N 1 1 185.311 2.334 10 0 AEAEMO CCC[N@@H+](CC)CC(C)(C)C(C)=O 85677176 572769008 /nfs/dbraw/zinc/76/90/08/572769008.db2.gz HCXWEIBJFRUIKV-UHFFFAOYSA-N 1 1 185.311 2.334 10 0 AEAEMO CC[C@H]1CCC[N@H+]1CC(C)(C)C(C)=O 85677028 572769382 /nfs/dbraw/zinc/76/93/82/572769382.db2.gz SDSFYZFHXNDNDN-NSHDSACASA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@H]1CCC[N@H+]1CC(C)(C)[C@@H](C)O 85679803 572769196 /nfs/dbraw/zinc/76/91/96/572769196.db2.gz OXQQPMFCWBQHBS-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](C)[N@@H+](C)CC(C)(C)C(C)=O 85677174 572769424 /nfs/dbraw/zinc/76/94/24/572769424.db2.gz ZVHCGEWAGAOPAH-VIFPVBQESA-N 1 1 185.311 2.332 10 0 AEAEMO CC(=O)C(C)(C)C[N@H+](C)C1CCCC1 85677207 572769438 /nfs/dbraw/zinc/76/94/38/572769438.db2.gz YMPAYUQKBUTTMV-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CCCC[N@@H+](C)CC(C)(C)[C@@H](C)O 85679904 572769517 /nfs/dbraw/zinc/76/95/17/572769517.db2.gz MBLZWPAGPJAHOI-SNVBAGLBSA-N 1 1 187.327 2.125 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)CC(C)(C)C(C)=O 85677172 572769525 /nfs/dbraw/zinc/76/95/25/572769525.db2.gz ZVHCGEWAGAOPAH-SECBINFHSA-N 1 1 185.311 2.332 10 0 AEAEMO CC[N@@H+](CC1CC1)CC(C)(C)[C@H](C)O 85680589 572769930 /nfs/dbraw/zinc/76/99/30/572769930.db2.gz JZSZFQHCXQXWRL-JTQLQIEISA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1CC(C)(C)[C@@H](C)O 85679801 572769996 /nfs/dbraw/zinc/76/99/96/572769996.db2.gz OXQQPMFCWBQHBS-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](C)[N@@H+](C)CC(C)(C)[C@@H](C)O 85679952 572770546 /nfs/dbraw/zinc/77/05/46/572770546.db2.gz GMTNJPQFEVRYBG-VHSXEESVSA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@H](C)C[C@@H](CC)[N@H+]1CC[C@@H](N)C1 257363384 572770707 /nfs/dbraw/zinc/77/07/07/572770707.db2.gz WZGOCWUFJPJGGL-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)CC(C)(C)[C@@H](C)O 85679949 572770741 /nfs/dbraw/zinc/77/07/41/572770741.db2.gz GMTNJPQFEVRYBG-NXEZZACHSA-N 1 1 187.327 2.124 10 0 AEAEMO CC[N@@H+](CC(C)(C)[C@H](C)O)C(C)C 85679975 572770804 /nfs/dbraw/zinc/77/08/04/572770804.db2.gz JGNKFIMZFHYJQV-JTQLQIEISA-N 1 1 187.327 2.124 10 0 AEAEMO CC(=O)C(C)(C)C[N@H+](C)C[C@@H]1C[C@@H]1C 85677809 572770837 /nfs/dbraw/zinc/77/08/37/572770837.db2.gz UDBYIOXYLXOSMX-ONGXEEELSA-N 1 1 197.322 2.189 10 0 AEAEMO CCC[N@@H+](CC)CC(C)(C)[C@H](C)O 85679954 572770923 /nfs/dbraw/zinc/77/09/23/572770923.db2.gz FNZLICSUTUEDJE-JTQLQIEISA-N 1 1 187.327 2.125 10 0 AEAEMO CC(=O)C(C)(C)C[N@H+](C)[C@H](C)C1CC1 85677313 572771045 /nfs/dbraw/zinc/77/10/45/572771045.db2.gz IADOVAWUHNIKGT-SECBINFHSA-N 1 1 197.322 2.332 10 0 AEAEMO CCC[N@@H+](CC)CC(C)(C)[C@@H](C)O 85679953 572771104 /nfs/dbraw/zinc/77/11/04/572771104.db2.gz FNZLICSUTUEDJE-SNVBAGLBSA-N 1 1 187.327 2.125 10 0 AEAEMO CC(=O)C(C)(C)C[N@H+](C)CC(C)C 85677211 572771271 /nfs/dbraw/zinc/77/12/71/572771271.db2.gz MBADTNDZKQLXDB-UHFFFAOYSA-N 1 1 185.311 2.189 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1CC(C)(C)C(C)=O 85677023 572771402 /nfs/dbraw/zinc/77/14/02/572771402.db2.gz SDSFYZFHXNDNDN-LLVKDONJSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[N@@H+](CC1CC1)CC(C)(C)[C@@H](C)O 85680586 572771844 /nfs/dbraw/zinc/77/18/44/572771844.db2.gz JZSZFQHCXQXWRL-SNVBAGLBSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(=O)C(C)(C)C[N@H+](C)[C@@H](C)C1CC1 85677309 572771939 /nfs/dbraw/zinc/77/19/39/572771939.db2.gz IADOVAWUHNIKGT-VIFPVBQESA-N 1 1 197.322 2.332 10 0 AEAEMO CC[N@@H+](CC1CC1)CC(C)(C)C(C)=O 85677812 572771981 /nfs/dbraw/zinc/77/19/81/572771981.db2.gz RCQIPEXFZHHYJO-UHFFFAOYSA-N 1 1 197.322 2.334 10 0 AEAEMO CC[N@@H+](CC(C)(C)C(C)=O)C1CC1 85677187 572772178 /nfs/dbraw/zinc/77/21/78/572772178.db2.gz ZBDQFRHDOXXKMU-UHFFFAOYSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[N@@H+](CC(C)(C)[C@@H](C)O)C(C)C 85679973 572772607 /nfs/dbraw/zinc/77/26/07/572772607.db2.gz JGNKFIMZFHYJQV-SNVBAGLBSA-N 1 1 187.327 2.124 10 0 AEAEMO Cc1nc2ccc3nc(C)[nH]c3cc-2n1 238527022 572773334 /nfs/dbraw/zinc/77/33/34/572773334.db2.gz QECVPOOBDUGILV-UHFFFAOYSA-N 1 1 198.229 2.075 10 0 AEAEMO C[C@@H]1CC[N@@H+](CCC(C)(C)C)[C@H]1CN 299909102 572775160 /nfs/dbraw/zinc/77/51/60/572775160.db2.gz JXHZNWNWZDRVNK-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CC[N@@H+](CCC(C)(C)C)[C@H]1CN 299909103 572775367 /nfs/dbraw/zinc/77/53/67/572775367.db2.gz JXHZNWNWZDRVNK-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[C@H](N)c1cc(N)c(C)c[nH+]1 713748908 572777393 /nfs/dbraw/zinc/77/73/93/572777393.db2.gz OIDOJGVVTZBSNZ-VIFPVBQESA-N 1 1 193.294 2.162 10 0 AEAEMO CCCC[C@@H](N)c1cc(N)c(C)c[nH+]1 713748894 572779313 /nfs/dbraw/zinc/77/93/13/572779313.db2.gz OIDOJGVVTZBSNZ-SECBINFHSA-N 1 1 193.294 2.162 10 0 AEAEMO CCCc1[nH]ncc1C[NH2+]CC(C)C 85654834 572779326 /nfs/dbraw/zinc/77/93/26/572779326.db2.gz ZQEAXKIMZBPBKI-UHFFFAOYSA-N 1 1 195.310 2.108 10 0 AEAEMO c1ccn([C@@H]2CC[N@H+]3CCCC[C@H]23)c1 49570118 572779790 /nfs/dbraw/zinc/77/97/90/572779790.db2.gz NBUNOUIMTBPRPH-VXGBXAGGSA-N 1 1 190.290 2.287 10 0 AEAEMO c1ccn([C@H]2CC[N@H+]3CCCC[C@H]23)c1 49570119 572780297 /nfs/dbraw/zinc/78/02/97/572780297.db2.gz NBUNOUIMTBPRPH-NEPJUHHUSA-N 1 1 190.290 2.287 10 0 AEAEMO Cc1cccn2c1[nH+]c1ccc(N)cc12 238536130 572783078 /nfs/dbraw/zinc/78/30/78/572783078.db2.gz PTEAEXKDAHKINB-UHFFFAOYSA-N 1 1 197.241 2.378 10 0 AEAEMO CC(C)C[C@@H](C)[N@@H+](CCN)C(C)C 308129273 572784159 /nfs/dbraw/zinc/78/41/59/572784159.db2.gz CTPNDSZWBKMORL-LLVKDONJSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC(CC)C[N@H+]1CC[C@@H](C)[C@H](O)C1 299910192 572786410 /nfs/dbraw/zinc/78/64/10/572786410.db2.gz LLPJSZOAJDDMDS-ZYHUDNBSSA-N 1 1 199.338 2.125 10 0 AEAEMO CCN(CC)C(C)(C)[C@H]([NH2+]C)C1CC1 85739425 572788014 /nfs/dbraw/zinc/78/80/14/572788014.db2.gz LLOHASPTBKEVRZ-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO C[N@@H+](CCC1CCC1)CC(=O)C1CC1 688689904 572786459 /nfs/dbraw/zinc/78/64/59/572786459.db2.gz BKOONPWLFMOGTM-UHFFFAOYSA-N 1 1 195.306 2.088 10 0 AEAEMO CCC(CC)C[N@H+]1CC[C@H](C)[C@H](O)C1 299910190 572786497 /nfs/dbraw/zinc/78/64/97/572786497.db2.gz LLPJSZOAJDDMDS-CMPLNLGQSA-N 1 1 199.338 2.125 10 0 AEAEMO CCCC[C@H](N)C(C)(C)[NH+]1CCCC1 85740248 572787356 /nfs/dbraw/zinc/78/73/56/572787356.db2.gz SKXDNODBLRZEFX-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@](C)([C@@H](N)C(C)(C)C)[NH+](C)C 85745424 572787650 /nfs/dbraw/zinc/78/76/50/572787650.db2.gz KIZIJDGEJPELOC-GXSJLCMTSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@](C)([C@H]([NH3+])CC(C)C)N(C)C 85745026 572787709 /nfs/dbraw/zinc/78/77/09/572787709.db2.gz SBWOGHMBGIIIOO-GHMZBOCLSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@](C)([C@H](N)C(C)(C)C)[NH+](C)C 85745416 572787885 /nfs/dbraw/zinc/78/78/85/572787885.db2.gz KIZIJDGEJPELOC-MWLCHTKSSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@](C)([C@@H]([NH3+])CC(C)C)N(C)C 85745033 572787913 /nfs/dbraw/zinc/78/79/13/572787913.db2.gz SBWOGHMBGIIIOO-WDEREUQCSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[NH2+][C@H](CC)C(C)(C)N1CCCC1 85740800 572787954 /nfs/dbraw/zinc/78/79/54/572787954.db2.gz RDIBLZOPEMNYHT-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@@H]([NH3+])[C@@](C)(CC)N(C)C 85744930 572788149 /nfs/dbraw/zinc/78/81/49/572788149.db2.gz WPDSOOFKYPPALU-GHMZBOCLSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@@](C)([C@@H]([NH3+])CC(C)C)N(C)C 85745028 572788202 /nfs/dbraw/zinc/78/82/02/572788202.db2.gz SBWOGHMBGIIIOO-QWRGUYRKSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@](C)([C@@H]([NH3+])CCC1CC1)N(C)C 85745687 572788226 /nfs/dbraw/zinc/78/82/26/572788226.db2.gz CENSXNRUMKXRMG-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@](C)([C@@H]([NH3+])c1ccoc1)N(C)C 85745806 572788269 /nfs/dbraw/zinc/78/82/69/572788269.db2.gz FDUFEDWTYYCKAX-QWRGUYRKSA-N 1 1 196.294 2.010 10 0 AEAEMO CC[C@](C)([C@@H]([NH3+])c1ccoc1)N(C)C 85745809 572788351 /nfs/dbraw/zinc/78/83/51/572788351.db2.gz FDUFEDWTYYCKAX-WDEREUQCSA-N 1 1 196.294 2.010 10 0 AEAEMO CCC[C@H]([NH2+]C)C(C)(C)N1CCCC1 85740633 572788589 /nfs/dbraw/zinc/78/85/89/572788589.db2.gz OXFSBOYHCNQGCZ-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[NH2+][C@@H](CC)C(C)(C)N1CCCC1 85740796 572788747 /nfs/dbraw/zinc/78/87/47/572788747.db2.gz RDIBLZOPEMNYHT-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]([NH2+]C)C(C)(C)N1CCCC1 85740635 572789060 /nfs/dbraw/zinc/78/90/60/572789060.db2.gz OXFSBOYHCNQGCZ-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@](C)([C@H]([NH3+])C1CCCC1)N(C)C 85745296 572789106 /nfs/dbraw/zinc/78/91/06/572789106.db2.gz YOXPRASMWIXOJF-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@](C)([C@@H]([NH3+])CC1CCC1)N(C)C 85745951 572789118 /nfs/dbraw/zinc/78/91/18/572789118.db2.gz GUMNHCUGTRYDIX-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@](C)([C@@H]([NH3+])CC1CCC1)N(C)C 85745954 572789169 /nfs/dbraw/zinc/78/91/69/572789169.db2.gz GUMNHCUGTRYDIX-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(=O)CC[N@@H+]1CC[C@H](CC(C)C)C1 307770586 572789191 /nfs/dbraw/zinc/78/91/91/572789191.db2.gz BXHXRGQTJWRBBE-GFCCVEGCSA-N 1 1 197.322 2.334 10 0 AEAEMO CC[C@@](C)([C@@H]([NH3+])CCC1CC1)N(C)C 85745684 572789363 /nfs/dbraw/zinc/78/93/63/572789363.db2.gz CENSXNRUMKXRMG-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@](C)([C@H]([NH3+])CCC1CC1)N(C)C 85745682 572789586 /nfs/dbraw/zinc/78/95/86/572789586.db2.gz CENSXNRUMKXRMG-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@](C)([C@@H]([NH3+])C1CCCC1)N(C)C 85745302 572789596 /nfs/dbraw/zinc/78/95/96/572789596.db2.gz YOXPRASMWIXOJF-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@](C)([C@H]([NH3+])CC1CCC1)N(C)C 85745944 572789875 /nfs/dbraw/zinc/78/98/75/572789875.db2.gz GUMNHCUGTRYDIX-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@H+](C)[C@@](C)(CC)[C@H](C)NC 308128284 572789885 /nfs/dbraw/zinc/78/98/85/572789885.db2.gz CFVJVKDMMYCOQT-QWRGUYRKSA-N 1 1 186.343 2.105 10 0 AEAEMO CCC[N@@H+](C)[C@@](C)(CC)[C@H](C)NC 308128284 572789888 /nfs/dbraw/zinc/78/98/88/572789888.db2.gz CFVJVKDMMYCOQT-QWRGUYRKSA-N 1 1 186.343 2.105 10 0 AEAEMO CC[C@@](C)(C(=O)c1ccco1)[NH+](C)C 85743055 572789894 /nfs/dbraw/zinc/78/98/94/572789894.db2.gz LPWLYXWICLGZCC-NSHDSACASA-N 1 1 195.262 2.193 10 0 AEAEMO CCC[N@H+](C)[C@](C)(CC)[C@H](C)NC 308128286 572790023 /nfs/dbraw/zinc/79/00/23/572790023.db2.gz CFVJVKDMMYCOQT-WDEREUQCSA-N 1 1 186.343 2.105 10 0 AEAEMO CCC[N@@H+](C)[C@](C)(CC)[C@H](C)NC 308128286 572790025 /nfs/dbraw/zinc/79/00/25/572790025.db2.gz CFVJVKDMMYCOQT-WDEREUQCSA-N 1 1 186.343 2.105 10 0 AEAEMO C/C=C\C[N@@H+](C)CCOC(C)(C)C 308128125 572790086 /nfs/dbraw/zinc/79/00/86/572790086.db2.gz AKNUIXYMTWPNBJ-SREVYHEPSA-N 1 1 185.311 2.309 10 0 AEAEMO CC[C@@](C)([C@@H](N)C(C)(C)C)[NH+](C)C 85745419 572790107 /nfs/dbraw/zinc/79/01/07/572790107.db2.gz KIZIJDGEJPELOC-ONGXEEELSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@](C)([C@H]([NH3+])C1CCCC1)N(C)C 85745299 572790142 /nfs/dbraw/zinc/79/01/42/572790142.db2.gz YOXPRASMWIXOJF-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(=O)[C@@H](C)[N@H+]1CC[C@@H](CC(C)C)C1 307769731 572790258 /nfs/dbraw/zinc/79/02/58/572790258.db2.gz BKKBIDYYDQOUFA-PWSUYJOCSA-N 1 1 197.322 2.332 10 0 AEAEMO CC[C@](C)(C(=O)c1ccco1)[NH+](C)C 85743059 572790306 /nfs/dbraw/zinc/79/03/06/572790306.db2.gz LPWLYXWICLGZCC-LLVKDONJSA-N 1 1 195.262 2.193 10 0 AEAEMO CC[C@@](C)(C(=O)c1ccoc1)[NH+](C)C 85743627 572790400 /nfs/dbraw/zinc/79/04/00/572790400.db2.gz RIICOUFKZZQUBP-NSHDSACASA-N 1 1 195.262 2.193 10 0 AEAEMO CCN(CC)C(C)(C)[C@@H]([NH2+]C)C1CC1 85739427 572790518 /nfs/dbraw/zinc/79/05/18/572790518.db2.gz LLOHASPTBKEVRZ-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@](C)(C(=O)c1ccoc1)[NH+](C)C 85743631 572790622 /nfs/dbraw/zinc/79/06/22/572790622.db2.gz RIICOUFKZZQUBP-LLVKDONJSA-N 1 1 195.262 2.193 10 0 AEAEMO C[NH2+][C@@H](C(C)C)C(C)(C)N1CCCC1 85740736 572790653 /nfs/dbraw/zinc/79/06/53/572790653.db2.gz JYFMPWBAOKVYEG-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)CC[C@@H](C)[N@@H+](C)C[C@@H](C)N 308127746 572790660 /nfs/dbraw/zinc/79/06/60/572790660.db2.gz BYGDHBAPQLNSMX-GHMZBOCLSA-N 1 1 186.343 2.090 10 0 AEAEMO CC(C)CC[C@@H](C)N(C)C[C@@H](C)[NH3+] 308127746 572790662 /nfs/dbraw/zinc/79/06/62/572790662.db2.gz BYGDHBAPQLNSMX-GHMZBOCLSA-N 1 1 186.343 2.090 10 0 AEAEMO CCCC[C@H]([NH3+])[C@@](C)(CC)N(C)C 85744926 572790736 /nfs/dbraw/zinc/79/07/36/572790736.db2.gz WPDSOOFKYPPALU-WDEREUQCSA-N 1 1 186.343 2.234 10 0 AEAEMO CC(C)CC[C@H](C)[N@@H+](C)C[C@@H](C)N 308127747 572791415 /nfs/dbraw/zinc/79/14/15/572791415.db2.gz BYGDHBAPQLNSMX-MNOVXSKESA-N 1 1 186.343 2.090 10 0 AEAEMO CC(C)CC[C@H](C)N(C)C[C@@H](C)[NH3+] 308127747 572791418 /nfs/dbraw/zinc/79/14/18/572791418.db2.gz BYGDHBAPQLNSMX-MNOVXSKESA-N 1 1 186.343 2.090 10 0 AEAEMO CCCC[C@H]([NH3+])[C@](C)(CC)N(C)C 85744933 572790836 /nfs/dbraw/zinc/79/08/36/572790836.db2.gz WPDSOOFKYPPALU-QWRGUYRKSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@](C)([C@H]([NH3+])c1ccoc1)N(C)C 85745803 572790950 /nfs/dbraw/zinc/79/09/50/572790950.db2.gz FDUFEDWTYYCKAX-GHMZBOCLSA-N 1 1 196.294 2.010 10 0 AEAEMO CC[C@@](C)([C@H]([NH3+])CCC1CC1)N(C)C 85745680 572790979 /nfs/dbraw/zinc/79/09/79/572790979.db2.gz CENSXNRUMKXRMG-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CCN(CC)C(C)(C)[C@@H]([NH3+])C(C)C 85739198 572791098 /nfs/dbraw/zinc/79/10/98/572791098.db2.gz OMHQKJSUYVHQNU-JTQLQIEISA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@](C)([C@H]([NH3+])CC(C)C)N(C)C 85745022 572791169 /nfs/dbraw/zinc/79/11/69/572791169.db2.gz SBWOGHMBGIIIOO-MNOVXSKESA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@](C)([C@@H]([NH3+])C1CCCC1)N(C)C 85745304 572791231 /nfs/dbraw/zinc/79/12/31/572791231.db2.gz YOXPRASMWIXOJF-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@](C)([C@H]([NH3+])CC1CCC1)N(C)C 85745947 572791238 /nfs/dbraw/zinc/79/12/38/572791238.db2.gz GUMNHCUGTRYDIX-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@](C)([C@H](N)C(C)(C)C)[NH+](C)C 85745413 572791263 /nfs/dbraw/zinc/79/12/63/572791263.db2.gz KIZIJDGEJPELOC-KOLCDFICSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@](C)([C@H]([NH3+])c1ccoc1)N(C)C 85745799 572791382 /nfs/dbraw/zinc/79/13/82/572791382.db2.gz FDUFEDWTYYCKAX-MNOVXSKESA-N 1 1 196.294 2.010 10 0 AEAEMO CCCC[C@@H](N)C(C)(C)[NH+]1CCCC1 85740254 572791396 /nfs/dbraw/zinc/79/13/96/572791396.db2.gz SKXDNODBLRZEFX-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CC(=O)[C@@H](C)[N@H+]1CC[C@H](CC(C)C)C1 307769733 572791494 /nfs/dbraw/zinc/79/14/94/572791494.db2.gz BKKBIDYYDQOUFA-ZYHUDNBSSA-N 1 1 197.322 2.332 10 0 AEAEMO CC(=O)[C@H](C)[N@H+]1CC[C@@H](CC(C)C)C1 307769730 572791626 /nfs/dbraw/zinc/79/16/26/572791626.db2.gz BKKBIDYYDQOUFA-JQWIXIFHSA-N 1 1 197.322 2.332 10 0 AEAEMO C/C=C/C[N@@H+](C)CCOC(C)(C)C 308128126 572791745 /nfs/dbraw/zinc/79/17/45/572791745.db2.gz AKNUIXYMTWPNBJ-VOTSOKGWSA-N 1 1 185.311 2.309 10 0 AEAEMO CC(=O)CC[N@@H+]1CC[C@@H](CC(C)C)C1 307770588 572791784 /nfs/dbraw/zinc/79/17/84/572791784.db2.gz BXHXRGQTJWRBBE-LBPRGKRZSA-N 1 1 197.322 2.334 10 0 AEAEMO CC(=O)[C@H](C)[N@H+]1CC[C@H](CC(C)C)C1 307769728 572791792 /nfs/dbraw/zinc/79/17/92/572791792.db2.gz BKKBIDYYDQOUFA-CMPLNLGQSA-N 1 1 197.322 2.332 10 0 AEAEMO CCC[N@H+](C)[C@](C)(CC)[C@@H](C)NC 308128280 572791918 /nfs/dbraw/zinc/79/19/18/572791918.db2.gz CFVJVKDMMYCOQT-GHMZBOCLSA-N 1 1 186.343 2.105 10 0 AEAEMO CCC[N@@H+](C)[C@](C)(CC)[C@@H](C)NC 308128280 572791920 /nfs/dbraw/zinc/79/19/20/572791920.db2.gz CFVJVKDMMYCOQT-GHMZBOCLSA-N 1 1 186.343 2.105 10 0 AEAEMO CCC(CC)([C@@H]([NH3+])CC1CC1)N(C)C 85750680 572791940 /nfs/dbraw/zinc/79/19/40/572791940.db2.gz BXEZPOBDEWRHKE-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@H+](C)[C@@](C)(CC)[C@@H](C)NC 308128282 572791999 /nfs/dbraw/zinc/79/19/99/572791999.db2.gz CFVJVKDMMYCOQT-MNOVXSKESA-N 1 1 186.343 2.105 10 0 AEAEMO CCC[N@@H+](C)[C@@](C)(CC)[C@@H](C)NC 308128282 572792000 /nfs/dbraw/zinc/79/20/00/572792000.db2.gz CFVJVKDMMYCOQT-MNOVXSKESA-N 1 1 186.343 2.105 10 0 AEAEMO CC[C@@H]1CC[N@H+](CC(C)(C)C)CCN1 49662326 572792106 /nfs/dbraw/zinc/79/21/06/572792106.db2.gz SKZDXJHNPZVRKK-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H]1CC[N@@H+](CC(C)(C)C)CCN1 49662326 572792109 /nfs/dbraw/zinc/79/21/09/572792109.db2.gz SKZDXJHNPZVRKK-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[NH+](CC)[C@](C)(CC)[C@H](C)NC 85748149 572792183 /nfs/dbraw/zinc/79/21/83/572792183.db2.gz VIMVBDXBUVSBSA-WDEREUQCSA-N 1 1 186.343 2.105 10 0 AEAEMO C[C@@H]1CC[N@H+](C2CCCCC2)CCN1 49661579 572792356 /nfs/dbraw/zinc/79/23/56/572792356.db2.gz GIVWGKHOQFPCQA-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H]1CC[N@H+](C2CCCC2)CCN1 49661531 572792418 /nfs/dbraw/zinc/79/24/18/572792418.db2.gz HEEXUCJRQVVLFH-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H]1CCN(C2CCCC2)CC[NH2+]1 49661531 572792422 /nfs/dbraw/zinc/79/24/22/572792422.db2.gz HEEXUCJRQVVLFH-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CCC(CC)([C@@H]([NH3+])C(C)C)N(C)C 85750683 572792655 /nfs/dbraw/zinc/79/26/55/572792655.db2.gz AOPHOOCPSGWHTF-JTQLQIEISA-N 1 1 186.343 2.090 10 0 AEAEMO CC[NH2+][C@@H](C)[C@@](C)(CC)N1CCCC1 85749228 572792701 /nfs/dbraw/zinc/79/27/01/572792701.db2.gz YJYHDVKZEYYNOX-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)CC[C@H](C)[N@@H+](C)C[C@H](C)N 308127749 572792758 /nfs/dbraw/zinc/79/27/58/572792758.db2.gz BYGDHBAPQLNSMX-QWRGUYRKSA-N 1 1 186.343 2.090 10 0 AEAEMO CC(C)CC[C@H](C)N(C)C[C@H](C)[NH3+] 308127749 572792762 /nfs/dbraw/zinc/79/27/62/572792762.db2.gz BYGDHBAPQLNSMX-QWRGUYRKSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@H]1CC[N@H+]([C@@H](C)C(C)C)CCN1 49660708 572792815 /nfs/dbraw/zinc/79/28/15/572792815.db2.gz JQKZEKGBOHQLLG-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CCN([C@@H](C)C(C)C)CC[NH2+]1 49660708 572792819 /nfs/dbraw/zinc/79/28/19/572792819.db2.gz JQKZEKGBOHQLLG-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C(C)C)[N@H+]1CCN[C@@H](C)CC1 49662419 572793724 /nfs/dbraw/zinc/79/37/24/572793724.db2.gz PABVDCXJAPUVAZ-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@](C)([C@@H](C)NC)[NH+]1CCCCC1 85749677 572793171 /nfs/dbraw/zinc/79/31/71/572793171.db2.gz LRWBPZZKIQIRQP-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]([NH3+])C(CC)(CC)N(C)C 85750611 572793203 /nfs/dbraw/zinc/79/32/03/572793203.db2.gz FWQXLWAGZMRQIW-SNVBAGLBSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@@H]([NH2+]C)C(CC)(CC)N(C)C 85750758 572793304 /nfs/dbraw/zinc/79/33/04/572793304.db2.gz PULDTKWIJYVKLO-SNVBAGLBSA-N 1 1 186.343 2.105 10 0 AEAEMO CC[C@@H]1CC[N@H+](C(C)(C)CC)CCN1 49661560 572794705 /nfs/dbraw/zinc/79/47/05/572794705.db2.gz PXYHRGSLJOUOIX-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CCN[C@H](C)CC1 49661956 572794198 /nfs/dbraw/zinc/79/41/98/572794198.db2.gz GPULVIUIAVZLRM-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[C@H](C)N1CC[NH2+][C@H](C)CC1 49661956 572794201 /nfs/dbraw/zinc/79/42/01/572794201.db2.gz GPULVIUIAVZLRM-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CCN(C(C)(C)CC)CC[NH2+]1 49661560 572794713 /nfs/dbraw/zinc/79/47/13/572794713.db2.gz PXYHRGSLJOUOIX-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CO[C@@H](C)C[N@@H+](C)Cc1ccccc1 198664721 572794783 /nfs/dbraw/zinc/79/47/83/572794783.db2.gz SZRJPJVQRAKDAM-NSHDSACASA-N 1 1 193.290 2.153 10 0 AEAEMO CC[NH+](CC)[C@@](C)(CC)[C@@H](C)NC 85748138 572794789 /nfs/dbraw/zinc/79/47/89/572794789.db2.gz VIMVBDXBUVSBSA-MNOVXSKESA-N 1 1 186.343 2.105 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CCN[C@@H](C)CC1 49661957 572794938 /nfs/dbraw/zinc/79/49/38/572794938.db2.gz GPULVIUIAVZLRM-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[C@H](C)N1CC[NH2+][C@@H](C)CC1 49661957 572794943 /nfs/dbraw/zinc/79/49/43/572794943.db2.gz GPULVIUIAVZLRM-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CC[N@H+](C(C)(C)CC)CCN1 49661562 572794992 /nfs/dbraw/zinc/79/49/92/572794992.db2.gz PXYHRGSLJOUOIX-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H]1CCN(C(C)(C)CC)CC[NH2+]1 49661562 572795001 /nfs/dbraw/zinc/79/50/01/572795001.db2.gz PXYHRGSLJOUOIX-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@](C)([C@H](C)NC)[NH+]1CCCCC1 85749683 572795536 /nfs/dbraw/zinc/79/55/36/572795536.db2.gz LRWBPZZKIQIRQP-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H]1CC[N@H+]([C@@H](C)C(C)C)CCN1 49660710 572795701 /nfs/dbraw/zinc/79/57/01/572795701.db2.gz JQKZEKGBOHQLLG-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CCN([C@@H](C)C(C)C)CC[NH2+]1 49660710 572795705 /nfs/dbraw/zinc/79/57/05/572795705.db2.gz JQKZEKGBOHQLLG-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[NH2+][C@H](C)[C@@](C)(CC)N1CCCC1 85749224 572795964 /nfs/dbraw/zinc/79/59/64/572795964.db2.gz YJYHDVKZEYYNOX-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)([C@H]([NH3+])CC1CC1)N(C)C 85750678 572796005 /nfs/dbraw/zinc/79/60/05/572796005.db2.gz BXEZPOBDEWRHKE-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[NH+](CC)[C@@](C)(CC)[C@H](C)NC 85748144 572796181 /nfs/dbraw/zinc/79/61/81/572796181.db2.gz VIMVBDXBUVSBSA-QWRGUYRKSA-N 1 1 186.343 2.105 10 0 AEAEMO C[C@H]1CC[N@H+](C2CCCCC2)CCN1 49661581 572796346 /nfs/dbraw/zinc/79/63/46/572796346.db2.gz GIVWGKHOQFPCQA-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[NH2+][C@@H](C)[C@](C)(CC)N1CCCC1 85749226 572796494 /nfs/dbraw/zinc/79/64/94/572796494.db2.gz YJYHDVKZEYYNOX-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]([NH3+])C(CC)(CC)N(C)C 85750609 572796399 /nfs/dbraw/zinc/79/63/99/572796399.db2.gz FWQXLWAGZMRQIW-JTQLQIEISA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@H]([NH2+]C)C(CC)(CC)N(C)C 85750756 572796430 /nfs/dbraw/zinc/79/64/30/572796430.db2.gz PULDTKWIJYVKLO-JTQLQIEISA-N 1 1 186.343 2.105 10 0 AEAEMO CC[C@H]1CC[N@H+](CC(C)(C)C)CCN1 49662327 572796436 /nfs/dbraw/zinc/79/64/36/572796436.db2.gz SKZDXJHNPZVRKK-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H]1CC[N@@H+](CC(C)(C)C)CCN1 49662327 572796440 /nfs/dbraw/zinc/79/64/40/572796440.db2.gz SKZDXJHNPZVRKK-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](C(C)C)[N@H+]1CCN[C@@H](C)CC1 49662418 572796469 /nfs/dbraw/zinc/79/64/69/572796469.db2.gz PABVDCXJAPUVAZ-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@H+]1CCN[C@@H](C)CC1 49662398 572796565 /nfs/dbraw/zinc/79/65/65/572796565.db2.gz NFYIRWRPSAAALV-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(=O)CC[N@H+](C)[C@H](C)C1CCC1 308132062 572796815 /nfs/dbraw/zinc/79/68/15/572796815.db2.gz BMYHFFRQEINWGJ-SNVBAGLBSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC(CC)([C@H]([NH2+]C)C1CC1)N(C)C 85750852 572798400 /nfs/dbraw/zinc/79/84/00/572798400.db2.gz HCBFCXPDMVPJIE-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO C[NH2+][C@H](C(C)C)C1(N(C)C)CCCC1 85752029 572798860 /nfs/dbraw/zinc/79/88/60/572798860.db2.gz GCVVACRUIOTYLA-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@@H](C)[N@H+]1CCC(=O)[C@H](C)C1 49693807 572798947 /nfs/dbraw/zinc/79/89/47/572798947.db2.gz YQQLCBUKYOHHRA-HBNTYKKESA-N 1 1 197.322 2.332 10 0 AEAEMO CCC(CC)([C@@H](C)NC)[NH+]1CCCC1 85751406 572798990 /nfs/dbraw/zinc/79/89/90/572798990.db2.gz XZVZKVWFTATNDT-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO C[C@H]1CC[C@H]([N@@H+](C)CCCF)C1 307938953 572799042 /nfs/dbraw/zinc/79/90/42/572799042.db2.gz AQHZSVLDVKCBOR-UWVGGRQHSA-N 1 1 173.275 2.466 10 0 AEAEMO CC(C)CC[N@H+]1CCC(=O)C[C@H]1C 49707379 572799251 /nfs/dbraw/zinc/79/92/51/572799251.db2.gz GPMPYBNTRUFNIT-SNVBAGLBSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[NH2+][C@@H](C)C1(N(C)C)CCCCC1 85753240 572799283 /nfs/dbraw/zinc/79/92/83/572799283.db2.gz CGRCNDKYBHBCBG-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C(C)C)[N@H+]1CCC(=O)[C@H](C)C1 49693825 572799500 /nfs/dbraw/zinc/79/95/00/572799500.db2.gz CSSQBWTXQUKEMU-GHMZBOCLSA-N 1 1 197.322 2.332 10 0 AEAEMO CC(=O)CC[N@H+](C)[C@@H](C)C1CCC1 308132060 572800014 /nfs/dbraw/zinc/80/00/14/572800014.db2.gz BMYHFFRQEINWGJ-JTQLQIEISA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@@H](C(C)C)[N@H+]1CCC(=O)[C@H](C)C1 49693824 572800029 /nfs/dbraw/zinc/80/00/29/572800029.db2.gz CSSQBWTXQUKEMU-MNOVXSKESA-N 1 1 197.322 2.332 10 0 AEAEMO C[C@@H]1CC[C@H]([N@@H+](C)CCCF)C1 307939139 572800039 /nfs/dbraw/zinc/80/00/39/572800039.db2.gz AQHZSVLDVKCBOR-ZJUUUORDSA-N 1 1 173.275 2.466 10 0 AEAEMO C/C=C\C[N@H+]1C[C@H]2[C@@H](C1)C2(C)C 307938905 572800143 /nfs/dbraw/zinc/80/01/43/572800143.db2.gz AMRAVJMPIHUKBM-QOYVELHUSA-N 1 1 165.280 2.150 10 0 AEAEMO C[C@@H]1CC[C@@H]([N@@H+](C)CCCF)C1 307938952 572800477 /nfs/dbraw/zinc/80/04/77/572800477.db2.gz AQHZSVLDVKCBOR-NXEZZACHSA-N 1 1 173.275 2.466 10 0 AEAEMO CC(C)[N@@H+](C)CC1(C(F)F)CC1 307938435 572800610 /nfs/dbraw/zinc/80/06/10/572800610.db2.gz AFLHCCJMXJHASF-UHFFFAOYSA-N 1 1 177.238 2.372 10 0 AEAEMO C[NH2+][C@@H](C(C)C)C1(N(C)C)CCCC1 85752027 572801328 /nfs/dbraw/zinc/80/13/28/572801328.db2.gz GCVVACRUIOTYLA-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H]([NH3+])c1n[nH]c2ccc(Cl)cc12 75068206 572801629 /nfs/dbraw/zinc/80/16/29/572801629.db2.gz PLPNGRWCEHGBGB-RXMQYKEDSA-N 1 1 195.653 2.236 10 0 AEAEMO CCC(C)(C)[N@H+]1CCC(=O)[C@@H](C)C1 49693587 572801672 /nfs/dbraw/zinc/80/16/72/572801672.db2.gz TXLIQXKQABNACL-VIFPVBQESA-N 1 1 183.295 2.086 10 0 AEAEMO CCC[C@@H]([NH2+]C)C1(N(C)C)CCCC1 85751998 572801709 /nfs/dbraw/zinc/80/17/09/572801709.db2.gz QZQDEMUEHGLRGS-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H]([NH2+]C)C1(N(C)C)CCCCC1 85753163 572802759 /nfs/dbraw/zinc/80/27/59/572802759.db2.gz JOJUEUAXZBJYCV-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)CC[N@H+]1CCC(=O)C[C@@H]1C 49707381 572801828 /nfs/dbraw/zinc/80/18/28/572801828.db2.gz GPMPYBNTRUFNIT-JTQLQIEISA-N 1 1 183.295 2.086 10 0 AEAEMO CCC(CC)[N@H+]1CCC(=O)[C@H](C)C1 49693582 572801854 /nfs/dbraw/zinc/80/18/54/572801854.db2.gz MIXUDOUUMLNRKI-SECBINFHSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC(CC)([C@@H]([NH2+]C)C1CC1)N(C)C 85750854 572802565 /nfs/dbraw/zinc/80/25/65/572802565.db2.gz HCBFCXPDMVPJIE-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(CC)([C@H](C)NC)[NH+]1CCCC1 85751408 572802640 /nfs/dbraw/zinc/80/26/40/572802640.db2.gz XZVZKVWFTATNDT-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[NH2+][C@H](C)C1(N(C)C)CCCCC1 85753242 572802656 /nfs/dbraw/zinc/80/26/56/572802656.db2.gz CGRCNDKYBHBCBG-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)[N@H+]1CCC(=O)[C@@H](C)C1 49693583 572802693 /nfs/dbraw/zinc/80/26/93/572802693.db2.gz MIXUDOUUMLNRKI-VIFPVBQESA-N 1 1 183.295 2.086 10 0 AEAEMO CC[NH+](CC)C1([C@H](C)NC)CCCC1 85752362 572802787 /nfs/dbraw/zinc/80/27/87/572802787.db2.gz NBCMSQUHPXCMOB-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)=CCN1C[C@@H](C)[NH2+]CC[C@@H]1C 235358173 572804965 /nfs/dbraw/zinc/80/49/65/572804965.db2.gz XHBAVDAUTRKWAJ-NEPJUHHUSA-N 1 1 196.338 2.025 10 0 AEAEMO CCC[C@H]([NH2+]C)C1(N(C)C)CCCC1 85751996 572802964 /nfs/dbraw/zinc/80/29/64/572802964.db2.gz QZQDEMUEHGLRGS-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@H+]1CCC(=O)[C@H](C)C1 49693809 572802974 /nfs/dbraw/zinc/80/29/74/572802974.db2.gz YQQLCBUKYOHHRA-AXFHLTTASA-N 1 1 197.322 2.332 10 0 AEAEMO CS[C@@H]1CCC[C@H]1[N@@H+](C)CCF 307940410 572803120 /nfs/dbraw/zinc/80/31/20/572803120.db2.gz WMTRUVPNLOOSSC-RKDXNWHRSA-N 1 1 191.315 2.172 10 0 AEAEMO CC[C@H]([NH2+]C)C1(N(C)C)CCCCC1 85753162 572803461 /nfs/dbraw/zinc/80/34/61/572803461.db2.gz JOJUEUAXZBJYCV-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CS[C@@H]1CCC[C@@H]1[N@@H+](C)CCF 307940408 572803542 /nfs/dbraw/zinc/80/35/42/572803542.db2.gz WMTRUVPNLOOSSC-DTWKUNHWSA-N 1 1 191.315 2.172 10 0 AEAEMO CCC(C)(C)[N@H+]1CCC(=O)[C@H](C)C1 49693586 572803551 /nfs/dbraw/zinc/80/35/51/572803551.db2.gz TXLIQXKQABNACL-SECBINFHSA-N 1 1 183.295 2.086 10 0 AEAEMO CS[C@H]1CCC[C@H]1[N@@H+](C)CCF 307940407 572803960 /nfs/dbraw/zinc/80/39/60/572803960.db2.gz WMTRUVPNLOOSSC-BDAKNGLRSA-N 1 1 191.315 2.172 10 0 AEAEMO CS[C@H]1CCC[C@@H]1[N@@H+](C)CCF 307940409 572803971 /nfs/dbraw/zinc/80/39/71/572803971.db2.gz WMTRUVPNLOOSSC-IUCAKERBSA-N 1 1 191.315 2.172 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CCC(=O)C[C@@H]1C 49710309 572804154 /nfs/dbraw/zinc/80/41/54/572804154.db2.gz MLERLFKZVYFSDW-UWVGGRQHSA-N 1 1 183.295 2.084 10 0 AEAEMO CC[C@H]1C[N@@H+](CC)C2(CCCC2)CN1 71345219 572804664 /nfs/dbraw/zinc/80/46/64/572804664.db2.gz TVLKBKGOQOETJQ-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H]1CN(CC)C2(CCCC2)C[NH2+]1 71345219 572804670 /nfs/dbraw/zinc/80/46/70/572804670.db2.gz TVLKBKGOQOETJQ-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@H+]1CCC(=O)C[C@@H]1C 49713310 572804763 /nfs/dbraw/zinc/80/47/63/572804763.db2.gz BEVKVUUVJICXDF-DCAQKATOSA-N 1 1 197.322 2.474 10 0 AEAEMO CCC(CC)[N@H+]1CCC(=O)C[C@@H]1C 49709090 572804776 /nfs/dbraw/zinc/80/47/76/572804776.db2.gz JNXUBCYQKVHAGO-VIFPVBQESA-N 1 1 183.295 2.228 10 0 AEAEMO C[C@H]([NH3+])c1n[nH]c2ccc(Cl)cc12 75068205 572804875 /nfs/dbraw/zinc/80/48/75/572804875.db2.gz PLPNGRWCEHGBGB-YFKPBYRVSA-N 1 1 195.653 2.236 10 0 AEAEMO CC[C@H](C(C)C)[N@H+]1CCC(=O)C[C@@H]1C 49713468 572804945 /nfs/dbraw/zinc/80/49/45/572804945.db2.gz FHFHXCLQLXZVOP-CMPLNLGQSA-N 1 1 197.322 2.474 10 0 AEAEMO CC[C@H]1C[N@@H+](CC(C)C)C(C)(C)CN1 71344750 572804949 /nfs/dbraw/zinc/80/49/49/572804949.db2.gz WYOLKTLFHLRPMZ-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CN(CC(C)C)C(C)(C)C[NH2+]1 71344750 572804951 /nfs/dbraw/zinc/80/49/51/572804951.db2.gz WYOLKTLFHLRPMZ-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1C[N@@H+](CC(C)C)C(C)(C)CN1 71344748 572805032 /nfs/dbraw/zinc/80/50/32/572805032.db2.gz WYOLKTLFHLRPMZ-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CN(CC(C)C)C(C)(C)C[NH2+]1 71344748 572805035 /nfs/dbraw/zinc/80/50/35/572805035.db2.gz WYOLKTLFHLRPMZ-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CCC(=O)C[C@H]1C 49710774 572805071 /nfs/dbraw/zinc/80/50/71/572805071.db2.gz UOIRHWIDGABSES-WDEREUQCSA-N 1 1 197.322 2.474 10 0 AEAEMO CCC(CC)[N@H+]1CCC(=O)C[C@H]1C 49709091 572805090 /nfs/dbraw/zinc/80/50/90/572805090.db2.gz JNXUBCYQKVHAGO-SECBINFHSA-N 1 1 183.295 2.228 10 0 AEAEMO CC[C@H]1CN[C@@H](C(C)(C)C)C[N@H+]1CC 71346477 572805150 /nfs/dbraw/zinc/80/51/50/572805150.db2.gz MSDLKCFXQMIUSQ-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1CC 71346477 572805152 /nfs/dbraw/zinc/80/51/52/572805152.db2.gz MSDLKCFXQMIUSQ-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO C/C=C/C[N@@H+](CC1CC1)C1CC1 307947557 572805180 /nfs/dbraw/zinc/80/51/80/572805180.db2.gz LCLGLVFOFZQZAK-NSCUHMNNSA-N 1 1 165.280 2.437 10 0 AEAEMO CC[C@@H](C(C)C)[N@H+]1CCC(=O)C[C@@H]1C 49713467 572805272 /nfs/dbraw/zinc/80/52/72/572805272.db2.gz FHFHXCLQLXZVOP-JQWIXIFHSA-N 1 1 197.322 2.474 10 0 AEAEMO CC[C@](C)([C@H](C)NC)[N@H+](C)C(C)C 308132927 572805331 /nfs/dbraw/zinc/80/53/31/572805331.db2.gz GGWXPIAOSSRCFJ-WDEREUQCSA-N 1 1 186.343 2.103 10 0 AEAEMO CC[C@](C)([C@H](C)NC)[N@@H+](C)C(C)C 308132927 572805334 /nfs/dbraw/zinc/80/53/34/572805334.db2.gz GGWXPIAOSSRCFJ-WDEREUQCSA-N 1 1 186.343 2.103 10 0 AEAEMO CC[C@@](C)([C@@H](C)NC)[N@H+](C)C(C)C 308132925 572805358 /nfs/dbraw/zinc/80/53/58/572805358.db2.gz GGWXPIAOSSRCFJ-MNOVXSKESA-N 1 1 186.343 2.103 10 0 AEAEMO CC[C@@](C)([C@@H](C)NC)[N@@H+](C)C(C)C 308132925 572805363 /nfs/dbraw/zinc/80/53/63/572805363.db2.gz GGWXPIAOSSRCFJ-MNOVXSKESA-N 1 1 186.343 2.103 10 0 AEAEMO C[C@H]1CC(=O)CC[N@H+]1C1CCCCC1 49709179 572805380 /nfs/dbraw/zinc/80/53/80/572805380.db2.gz BLOUGOJVDLTGGD-JTQLQIEISA-N 1 1 195.306 2.373 10 0 AEAEMO CC[N@H+]1CC(C)(C)NCC1(CC)CC 71343176 572805410 /nfs/dbraw/zinc/80/54/10/572805410.db2.gz KDULRQCUNTWEDN-UHFFFAOYSA-N 1 1 198.354 2.249 10 0 AEAEMO C[C@@H]1CC(=O)CC[N@H+]1CC(C)(C)C 49713173 572805570 /nfs/dbraw/zinc/80/55/70/572805570.db2.gz QRRMWWSJJZFEMY-SECBINFHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CCC(=O)C[C@@H]1C 49710775 572805794 /nfs/dbraw/zinc/80/57/94/572805794.db2.gz UOIRHWIDGABSES-QWRGUYRKSA-N 1 1 197.322 2.474 10 0 AEAEMO CC[C@H]1CN[C@H](C(C)(C)C)C[N@H+]1CC 71346474 572805915 /nfs/dbraw/zinc/80/59/15/572805915.db2.gz MSDLKCFXQMIUSQ-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1CC 71346474 572805917 /nfs/dbraw/zinc/80/59/17/572805917.db2.gz MSDLKCFXQMIUSQ-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H]1CC(=O)CC[N@H+]1CC1CCCC1 49710675 572805953 /nfs/dbraw/zinc/80/59/53/572805953.db2.gz ALVVBJLPBLBYHQ-SNVBAGLBSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@H]1CC(=O)CC[N@H+]1CC(C)(C)C 49713174 572806025 /nfs/dbraw/zinc/80/60/25/572806025.db2.gz QRRMWWSJJZFEMY-VIFPVBQESA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@@H]1CN[C@H](C(C)(C)C)C[N@H+]1CC 71346472 572806037 /nfs/dbraw/zinc/80/60/37/572806037.db2.gz MSDLKCFXQMIUSQ-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1CC 71346472 572806040 /nfs/dbraw/zinc/80/60/40/572806040.db2.gz MSDLKCFXQMIUSQ-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(C)(C)[N@H+]1CCC(=O)C[C@H]1C 49709150 572806045 /nfs/dbraw/zinc/80/60/45/572806045.db2.gz HJVLGAYJCRUTTE-SECBINFHSA-N 1 1 183.295 2.228 10 0 AEAEMO Cc1cn2c([nH+]1)[C@@H](C)CCC2 49804546 572806056 /nfs/dbraw/zinc/80/60/56/572806056.db2.gz SHMALGMDJTVNFR-ZETCQYMHSA-N 1 1 150.225 2.089 10 0 AEAEMO CC[C@@H]1CN[C@@H](C(C)(C)C)C[N@H+]1CC 71346476 572806142 /nfs/dbraw/zinc/80/61/42/572806142.db2.gz MSDLKCFXQMIUSQ-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1CC 71346476 572806145 /nfs/dbraw/zinc/80/61/45/572806145.db2.gz MSDLKCFXQMIUSQ-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1C[N@@H+](CC)C2(CCCC2)CN1 71345217 572806227 /nfs/dbraw/zinc/80/62/27/572806227.db2.gz TVLKBKGOQOETJQ-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@@H]1CN(CC)C2(CCCC2)C[NH2+]1 71345217 572806230 /nfs/dbraw/zinc/80/62/30/572806230.db2.gz TVLKBKGOQOETJQ-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO C/C=C\C[N@@H+](CC1CC1)C1CC1 307947555 572806238 /nfs/dbraw/zinc/80/62/38/572806238.db2.gz LCLGLVFOFZQZAK-IHWYPQMZSA-N 1 1 165.280 2.437 10 0 AEAEMO CC[C@](C)([C@@H](C)NC)[N@H+](C)C(C)C 308132923 572806292 /nfs/dbraw/zinc/80/62/92/572806292.db2.gz GGWXPIAOSSRCFJ-GHMZBOCLSA-N 1 1 186.343 2.103 10 0 AEAEMO CC[C@](C)([C@@H](C)NC)[N@@H+](C)C(C)C 308132923 572806297 /nfs/dbraw/zinc/80/62/97/572806297.db2.gz GGWXPIAOSSRCFJ-GHMZBOCLSA-N 1 1 186.343 2.103 10 0 AEAEMO Cc1cn2c([nH+]1)CCC[C@H]2C 49804550 572806389 /nfs/dbraw/zinc/80/63/89/572806389.db2.gz VUJOLOROGUDJEM-MRVPVSSYSA-N 1 1 150.225 2.089 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CCC(=O)C[C@H]1C 49710306 572806966 /nfs/dbraw/zinc/80/69/66/572806966.db2.gz MLERLFKZVYFSDW-ZJUUUORDSA-N 1 1 183.295 2.084 10 0 AEAEMO Cc1cn2c([nH+]1)CCC[C@@H]2C 49804549 572807216 /nfs/dbraw/zinc/80/72/16/572807216.db2.gz VUJOLOROGUDJEM-QMMMGPOBSA-N 1 1 150.225 2.089 10 0 AEAEMO C[C@@H]1CC(=O)CC[N@H+]1C1CCCCC1 49709178 572807280 /nfs/dbraw/zinc/80/72/80/572807280.db2.gz BLOUGOJVDLTGGD-SNVBAGLBSA-N 1 1 195.306 2.373 10 0 AEAEMO CC[C@H](C)[C@@H](C)[N@H+]1CCC(=O)C[C@@H]1C 49713308 572807446 /nfs/dbraw/zinc/80/74/46/572807446.db2.gz BEVKVUUVJICXDF-GARJFASQSA-N 1 1 197.322 2.474 10 0 AEAEMO CCC(C)(C)[N@H+]1CCC(=O)C[C@@H]1C 49709149 572808247 /nfs/dbraw/zinc/80/82/47/572808247.db2.gz HJVLGAYJCRUTTE-VIFPVBQESA-N 1 1 183.295 2.228 10 0 AEAEMO CC(C)C(=O)CC[N@H+]1CCC[C@H]1C 308137692 572808296 /nfs/dbraw/zinc/80/82/96/572808296.db2.gz GINKPYPYLKSTDG-SNVBAGLBSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC[N@@H+](CC(C)C)C[C@H](N)CC 308137581 572808555 /nfs/dbraw/zinc/80/85/55/572808555.db2.gz JHLLEPZQSJRUAE-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[N@@H+](CCO)[C@@H](C)CC(C)C 308137958 572808577 /nfs/dbraw/zinc/80/85/77/572808577.db2.gz JMMJIJIFAABXCG-NSHDSACASA-N 1 1 187.327 2.125 10 0 AEAEMO CCCCCc1[nH]cnc1C 196696683 572809151 /nfs/dbraw/zinc/80/91/51/572809151.db2.gz FYCATXYYLRJQCL-UHFFFAOYSA-N 1 1 152.241 2.451 10 0 AEAEMO CCCCCc1[nH+]c[nH]c1C 196696683 572809152 /nfs/dbraw/zinc/80/91/52/572809152.db2.gz FYCATXYYLRJQCL-UHFFFAOYSA-N 1 1 152.241 2.451 10 0 AEAEMO CCCCCc1[nH]c[nH+]c1C 196696683 572809156 /nfs/dbraw/zinc/80/91/56/572809156.db2.gz FYCATXYYLRJQCL-UHFFFAOYSA-N 1 1 152.241 2.451 10 0 AEAEMO C1CCN([NH2+]C(C2CC2)C2CC2)CC1 214002973 572809217 /nfs/dbraw/zinc/80/92/17/572809217.db2.gz ONUZLMQDLKRINY-UHFFFAOYSA-N 1 1 194.322 2.166 10 0 AEAEMO CCOC(=[NH2+])C(C1CC1)C1CC1 307942508 572809518 /nfs/dbraw/zinc/80/95/18/572809518.db2.gz DDRBRCXCENWUJC-UHFFFAOYSA-N 1 1 167.252 2.436 10 0 AEAEMO CSCC[N@@H+](C)[C@@H]1C=CCCC1 308138533 572809677 /nfs/dbraw/zinc/80/96/77/572809677.db2.gz FQVPEFBQSYREOG-SNVBAGLBSA-N 1 1 185.336 2.390 10 0 AEAEMO C[N@@H+](CCF)CCc1cccs1 308137144 572810125 /nfs/dbraw/zinc/81/01/25/572810125.db2.gz FBBAEGFPVHBUBV-UHFFFAOYSA-N 1 1 187.283 2.192 10 0 AEAEMO CSCC[N@@H+](C)[C@H]1C=CCCC1 308138532 572810400 /nfs/dbraw/zinc/81/04/00/572810400.db2.gz FQVPEFBQSYREOG-JTQLQIEISA-N 1 1 185.336 2.390 10 0 AEAEMO CCC[N@@H+](CC(C)C)C[C@@H](N)CC 308137584 572810593 /nfs/dbraw/zinc/81/05/93/572810593.db2.gz JHLLEPZQSJRUAE-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CC[N@@H+](C(C)C)[C@@](C)(CC)[C@H](C)O 308133828 572811570 /nfs/dbraw/zinc/81/15/70/572811570.db2.gz GUSQOBIJYLPWLY-QWRGUYRKSA-N 1 1 187.327 2.266 10 0 AEAEMO CCC(=O)CC[N@H+](C)[C@H](C)CC 307945044 572811836 /nfs/dbraw/zinc/81/18/36/572811836.db2.gz HWIMJTJOEQLMML-SECBINFHSA-N 1 1 171.284 2.086 10 0 AEAEMO Cl/C=C\C[N@H+]1CC[C@H](C2CC2)C1 308139551 572811874 /nfs/dbraw/zinc/81/18/74/572811874.db2.gz GLLDWZGNQZOJJT-RIXFDMRVSA-N 1 1 185.698 2.471 10 0 AEAEMO CC[N@@H+](C(C)C)[C@](C)(CC)[C@H](C)O 308133830 572812027 /nfs/dbraw/zinc/81/20/27/572812027.db2.gz GUSQOBIJYLPWLY-WDEREUQCSA-N 1 1 187.327 2.266 10 0 AEAEMO CCC(=O)CC[N@H+](C)[C@@H](C)CC 307945045 572812104 /nfs/dbraw/zinc/81/21/04/572812104.db2.gz HWIMJTJOEQLMML-VIFPVBQESA-N 1 1 171.284 2.086 10 0 AEAEMO Cl/C=C\C[N@H+]1CC[C@@H](C2CC2)C1 308139550 572812186 /nfs/dbraw/zinc/81/21/86/572812186.db2.gz GLLDWZGNQZOJJT-LMQQOLRNSA-N 1 1 185.698 2.471 10 0 AEAEMO CC[N@@H+](C(C)C)[C@@](C)(CC)[C@@H](C)O 308133827 572812843 /nfs/dbraw/zinc/81/28/43/572812843.db2.gz GUSQOBIJYLPWLY-MNOVXSKESA-N 1 1 187.327 2.266 10 0 AEAEMO C1CC([N@@H+](CC2CC2)C2CC2)C1 308133323 572813123 /nfs/dbraw/zinc/81/31/23/572813123.db2.gz YURBLWLDYKRCKT-UHFFFAOYSA-N 1 1 165.280 2.413 10 0 AEAEMO CC(C)CC[N@@H+](C)C1CCOCC1 308134390 572814513 /nfs/dbraw/zinc/81/45/13/572814513.db2.gz DETCBCBWQMNJAP-UHFFFAOYSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@](C)([C@H](C)O)[N@@H+](C)C1CCC1 308134485 572815152 /nfs/dbraw/zinc/81/51/52/572815152.db2.gz HHGOHJMQWUYHFC-GXSJLCMTSA-N 1 1 185.311 2.020 10 0 AEAEMO C[C@H]1[C@H]2CCC(=O)C[C@H]2C[C@@H](C)[N@@H+]1C 75122728 572815488 /nfs/dbraw/zinc/81/54/88/572815488.db2.gz RCULCRRHELURFS-DTHBNOIPSA-N 1 1 195.306 2.084 10 0 AEAEMO C[N@@H+]1CCC(=O)[C@H](C2CCCCC2)C1 75122792 572815646 /nfs/dbraw/zinc/81/56/46/572815646.db2.gz SGXXLZSEGUAWSK-NSHDSACASA-N 1 1 195.306 2.088 10 0 AEAEMO C[N@H+]1CCC(=O)[C@H](C2CCCCC2)C1 75122792 572815650 /nfs/dbraw/zinc/81/56/50/572815650.db2.gz SGXXLZSEGUAWSK-NSHDSACASA-N 1 1 195.306 2.088 10 0 AEAEMO CC[C@@](C)([C@@H](C)O)[N@@H+](C)C1CCC1 308134486 572815655 /nfs/dbraw/zinc/81/56/55/572815655.db2.gz HHGOHJMQWUYHFC-KOLCDFICSA-N 1 1 185.311 2.020 10 0 AEAEMO C[C@@H]1CC[N@@H+](C)[C@@H]2CCC(=O)C[C@@H]2C1 75122723 572815769 /nfs/dbraw/zinc/81/57/69/572815769.db2.gz BUCODDFHXOOERN-JFGNBEQYSA-N 1 1 195.306 2.086 10 0 AEAEMO C[N@H+]1CCC(C)(C)C[C@H]2CC(=O)C[C@@H]21 75122741 572815863 /nfs/dbraw/zinc/81/58/63/572815863.db2.gz XBMVOGHVFDXWKI-KOLCDFICSA-N 1 1 195.306 2.086 10 0 AEAEMO C[N@H+]1CCC[C@@H](Nc2cccs2)C1 75123283 572815903 /nfs/dbraw/zinc/81/59/03/572815903.db2.gz SAAWOOWYWCYFKC-SECBINFHSA-N 1 1 196.319 2.254 10 0 AEAEMO C[N@H+]1CCC[C@H](Nc2cccs2)C1 75123281 572815939 /nfs/dbraw/zinc/81/59/39/572815939.db2.gz SAAWOOWYWCYFKC-VIFPVBQESA-N 1 1 196.319 2.254 10 0 AEAEMO C[N@H+]1CCC(C)(C)C[C@H]2CC(=O)C[C@H]21 75122738 572816047 /nfs/dbraw/zinc/81/60/47/572816047.db2.gz XBMVOGHVFDXWKI-MWLCHTKSSA-N 1 1 195.306 2.086 10 0 AEAEMO CCC(CC)[NH2+]N1CCCCC1 214003831 572816158 /nfs/dbraw/zinc/81/61/58/572816158.db2.gz QYBHRZDBRLESPM-UHFFFAOYSA-N 1 1 170.300 2.166 10 0 AEAEMO C[C@H]1[C@@H]2CCC(=O)C[C@H]2C[C@@H](C)[N@@H+]1C 75122733 572816164 /nfs/dbraw/zinc/81/61/64/572816164.db2.gz RCULCRRHELURFS-KLBPJQLPSA-N 1 1 195.306 2.084 10 0 AEAEMO C[N@@H+]1CCC(=O)[C@@H](C2CCCCC2)C1 75122795 572816175 /nfs/dbraw/zinc/81/61/75/572816175.db2.gz SGXXLZSEGUAWSK-LLVKDONJSA-N 1 1 195.306 2.088 10 0 AEAEMO C[N@H+]1CCC(=O)[C@@H](C2CCCCC2)C1 75122795 572816179 /nfs/dbraw/zinc/81/61/79/572816179.db2.gz SGXXLZSEGUAWSK-LLVKDONJSA-N 1 1 195.306 2.088 10 0 AEAEMO CC[C@@](C)([C@H](C)O)[N@@H+](C)C1CCC1 308134488 572816519 /nfs/dbraw/zinc/81/65/19/572816519.db2.gz HHGOHJMQWUYHFC-ONGXEEELSA-N 1 1 185.311 2.020 10 0 AEAEMO C[C@H]1[C@@H]2CCC(=O)C[C@@H]2C[C@@H](C)[N@@H+]1C 75122736 572816563 /nfs/dbraw/zinc/81/65/63/572816563.db2.gz RCULCRRHELURFS-WDCWCFNPSA-N 1 1 195.306 2.084 10 0 AEAEMO CC[C@](C)([C@@H](C)O)[N@@H+](C)C1CCC1 308134487 572817001 /nfs/dbraw/zinc/81/70/01/572817001.db2.gz HHGOHJMQWUYHFC-MWLCHTKSSA-N 1 1 185.311 2.020 10 0 AEAEMO C[C@H]1[C@H]2CCC(=O)C[C@@H]2C[C@@H](C)[N@@H+]1C 75122731 572817188 /nfs/dbraw/zinc/81/71/88/572817188.db2.gz RCULCRRHELURFS-FYLLDIAZSA-N 1 1 195.306 2.084 10 0 AEAEMO C[C@@H]1CCC[C@H]([NH2+]CC(C)(C)N)CC1 235266760 572817857 /nfs/dbraw/zinc/81/78/57/572817857.db2.gz FKLUXFZSUCKETE-MNOVXSKESA-N 1 1 198.354 2.282 10 0 AEAEMO CC[N@@H+](C1CC1)[C@](C)(CC)[C@@H](C)O 308135535 572818293 /nfs/dbraw/zinc/81/82/93/572818293.db2.gz HYLPODQARMLHPB-MWLCHTKSSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[N@@H+](C1CC1)[C@@](C)(CC)[C@@H](C)O 308135534 572818380 /nfs/dbraw/zinc/81/83/80/572818380.db2.gz HYLPODQARMLHPB-KOLCDFICSA-N 1 1 185.311 2.020 10 0 AEAEMO CC(C)=CC[N@H+]1CC(C)(C)NC[C@H]1C 235265500 572818588 /nfs/dbraw/zinc/81/85/88/572818588.db2.gz WTRIQPSKXKSURL-LLVKDONJSA-N 1 1 196.338 2.025 10 0 AEAEMO CC(C)=CC[N@@H+]1CC(C)(C)NC[C@H]1C 235265500 572818592 /nfs/dbraw/zinc/81/85/92/572818592.db2.gz WTRIQPSKXKSURL-LLVKDONJSA-N 1 1 196.338 2.025 10 0 AEAEMO CC[N@@H+](C1CC1)[C@](C)(CC)[C@H](C)O 308135533 572819319 /nfs/dbraw/zinc/81/93/19/572819319.db2.gz HYLPODQARMLHPB-GXSJLCMTSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[N@@H+](C1CC1)[C@@](C)(CC)[C@H](C)O 308135536 572819474 /nfs/dbraw/zinc/81/94/74/572819474.db2.gz HYLPODQARMLHPB-ONGXEEELSA-N 1 1 185.311 2.020 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)Cc1cnoc1 308135464 572819484 /nfs/dbraw/zinc/81/94/84/572819484.db2.gz DZOFJSBHUSUIKU-SECBINFHSA-N 1 1 182.267 2.151 10 0 AEAEMO [NH3+]CCCCc1ccc(S)cc1 238563846 572822234 /nfs/dbraw/zinc/82/22/34/572822234.db2.gz JQJOJNBRZKLLIQ-UHFFFAOYSA-N 1 1 181.304 2.257 10 0 AEAEMO CCC[N@@H+](C)C1CC(C(F)F)C1 307948474 572822764 /nfs/dbraw/zinc/82/27/64/572822764.db2.gz AONCMXPQFXJCSQ-UHFFFAOYSA-N 1 1 177.238 2.372 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)[C@H](C)COC 307950266 572824813 /nfs/dbraw/zinc/82/48/13/572824813.db2.gz NPMPAPOQCVUMMP-NXEZZACHSA-N 1 1 173.300 2.142 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@@H](C)COC 307950267 572824823 /nfs/dbraw/zinc/82/48/23/572824823.db2.gz NPMPAPOQCVUMMP-UWVGGRQHSA-N 1 1 173.300 2.142 10 0 AEAEMO Cc1cc2c(N)[nH+]ccc2cc1F 71482630 572824837 /nfs/dbraw/zinc/82/48/37/572824837.db2.gz GAVBRXPMNDLJJO-UHFFFAOYSA-N 1 1 176.194 2.265 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)[C@@H](C)COC 307950269 572825968 /nfs/dbraw/zinc/82/59/68/572825968.db2.gz NPMPAPOQCVUMMP-ZJUUUORDSA-N 1 1 173.300 2.142 10 0 AEAEMO CCc1ccc[nH+]c1N(CC)CC 308141120 572826129 /nfs/dbraw/zinc/82/61/29/572826129.db2.gz TUPLNZKVTHEMAV-UHFFFAOYSA-N 1 1 178.279 2.490 10 0 AEAEMO CCCC(CCC)[N@@H+](C)C[C@@H](C)N 308142069 572827854 /nfs/dbraw/zinc/82/78/54/572827854.db2.gz LVBWXJLRJTZPCE-SNVBAGLBSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@H](C)COC 307950268 572826754 /nfs/dbraw/zinc/82/67/54/572826754.db2.gz NPMPAPOQCVUMMP-VHSXEESVSA-N 1 1 173.300 2.142 10 0 AEAEMO CCC[N@@H+](C)[C@](C)(CN)[C@@H](C)CC 308141708 572827838 /nfs/dbraw/zinc/82/78/38/572827838.db2.gz LNVXJATUYLCVRR-WDEREUQCSA-N 1 1 186.343 2.092 10 0 AEAEMO C[C@H]1CCC[N@@H+]([C@H]2CCC[C@@H]2O)[C@H]1C 299891700 572827839 /nfs/dbraw/zinc/82/78/39/572827839.db2.gz ABDVZNSQWUMXFC-BJDJZHNGSA-N 1 1 197.322 2.020 10 0 AEAEMO CCCC(CCC)N(C)C[C@@H](C)[NH3+] 308142069 572827857 /nfs/dbraw/zinc/82/78/57/572827857.db2.gz LVBWXJLRJTZPCE-SNVBAGLBSA-N 1 1 186.343 2.234 10 0 AEAEMO C[C@H]1CC[N@@H+]([C@H]2CCC[C@@H]2O)[C@H](C)C1 299891842 572828477 /nfs/dbraw/zinc/82/84/77/572828477.db2.gz DVQGHBAXWFGVPZ-USZNOCQGSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@@H]1CC[N@@H+]([C@H]2CCC[C@@H]2O)[C@H](C)C1 299891843 572828489 /nfs/dbraw/zinc/82/84/89/572828489.db2.gz DVQGHBAXWFGVPZ-WYUUTHIRSA-N 1 1 197.322 2.020 10 0 AEAEMO CCC[N@@H+](C)[C@](C)(CN)[C@H](C)CC 308141702 572828679 /nfs/dbraw/zinc/82/86/79/572828679.db2.gz LNVXJATUYLCVRR-GHMZBOCLSA-N 1 1 186.343 2.092 10 0 AEAEMO C[C@H]1[C@H](C)CCC[N@H+]1[C@H]1CCC[C@@H]1O 299891702 572828814 /nfs/dbraw/zinc/82/88/14/572828814.db2.gz ABDVZNSQWUMXFC-RHYQMDGZSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)[C@H]1C 299891701 572828825 /nfs/dbraw/zinc/82/88/25/572828825.db2.gz ABDVZNSQWUMXFC-NNYUYHANSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)[C@H](C)C1 299891841 572828864 /nfs/dbraw/zinc/82/88/64/572828864.db2.gz DVQGHBAXWFGVPZ-IRCOFANPSA-N 1 1 197.322 2.020 10 0 AEAEMO CCC[N@@H+](C)[C@@](C)(CN)[C@H](C)CC 308141704 572829430 /nfs/dbraw/zinc/82/94/30/572829430.db2.gz LNVXJATUYLCVRR-MNOVXSKESA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)C1CCC(=O)CC1 85871693 572829565 /nfs/dbraw/zinc/82/95/65/572829565.db2.gz JKTAFGHAYRSXHJ-JTQLQIEISA-N 1 1 197.322 2.476 10 0 AEAEMO C[N@@H+](CCC1CC1)C1CCC(=O)CC1 85872039 572829713 /nfs/dbraw/zinc/82/97/13/572829713.db2.gz GHJCIOUUCBAFSB-UHFFFAOYSA-N 1 1 195.306 2.230 10 0 AEAEMO CCCC(CCC)[N@@H+](C)C[C@H](C)N 308142067 572830313 /nfs/dbraw/zinc/83/03/13/572830313.db2.gz LVBWXJLRJTZPCE-JTQLQIEISA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC(CCC)N(C)C[C@H](C)[NH3+] 308142067 572830315 /nfs/dbraw/zinc/83/03/15/572830315.db2.gz LVBWXJLRJTZPCE-JTQLQIEISA-N 1 1 186.343 2.234 10 0 AEAEMO CC(C)CC[N@@H+](C)C1CCC(=O)CC1 85871752 572830769 /nfs/dbraw/zinc/83/07/69/572830769.db2.gz YILVEJUJVKSMQM-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)C1CCC(=O)CC1 85871690 572830819 /nfs/dbraw/zinc/83/08/19/572830819.db2.gz JKTAFGHAYRSXHJ-SNVBAGLBSA-N 1 1 197.322 2.476 10 0 AEAEMO C/C=C\C[N@@H+]1C[C@H]2CCC[C@H]2C1 307953109 572831771 /nfs/dbraw/zinc/83/17/71/572831771.db2.gz PPBALTSYWNEULB-TZDVWIQBSA-N 1 1 165.280 2.294 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)[C@@](C)(CC)C(C)=O 308142113 572832194 /nfs/dbraw/zinc/83/21/94/572832194.db2.gz LXWWUZNDLIIKAI-KOLCDFICSA-N 1 1 185.311 2.474 10 0 AEAEMO Cc1c(N)cccc1[C@@H]1CCC[N@@H+]1C 71494186 572832529 /nfs/dbraw/zinc/83/25/29/572832529.db2.gz DDIODSKBNUSQLY-LBPRGKRZSA-N 1 1 190.290 2.344 10 0 AEAEMO CCCC[N@@H+](C)C1CCC(=O)CC1 85871828 572832668 /nfs/dbraw/zinc/83/26/68/572832668.db2.gz WXTCNQQNWPSRJE-UHFFFAOYSA-N 1 1 183.295 2.230 10 0 AEAEMO Cc1ccc([C@@H]2CCC[N@@H+]2C)cc1N 71494180 572832814 /nfs/dbraw/zinc/83/28/14/572832814.db2.gz IHAANSYMDGDGRV-LBPRGKRZSA-N 1 1 190.290 2.344 10 0 AEAEMO CC(C)CSCCc1[nH+]ccn1C 308142477 572833048 /nfs/dbraw/zinc/83/30/48/572833048.db2.gz JMPBOOCKEJTPJG-UHFFFAOYSA-N 1 1 198.335 2.352 10 0 AEAEMO Cc1c(N)cccc1[C@H]1CCC[N@@H+]1C 71494187 572834034 /nfs/dbraw/zinc/83/40/34/572834034.db2.gz DDIODSKBNUSQLY-GFCCVEGCSA-N 1 1 190.290 2.344 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)[C@](C)(CC)C(C)=O 308142114 572834164 /nfs/dbraw/zinc/83/41/64/572834164.db2.gz LXWWUZNDLIIKAI-MWLCHTKSSA-N 1 1 185.311 2.474 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@H](C)[C@@H]1CN 299916718 572834240 /nfs/dbraw/zinc/83/42/40/572834240.db2.gz WRSXXJCFRDEZLL-SRVKXCTJSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@@H](C)[C@H](O)C1 299916777 572834256 /nfs/dbraw/zinc/83/42/56/572834256.db2.gz SROCLTSTWMBNFK-QJPTWQEYSA-N 1 1 199.338 2.125 10 0 AEAEMO C[N@H+]1CCC[C@H]1Cc1ccc(O)cc1 71494195 572834491 /nfs/dbraw/zinc/83/44/91/572834491.db2.gz TYKGRSNVFNBOTB-NSHDSACASA-N 1 1 191.274 2.029 10 0 AEAEMO Cc1ccc([C@H]2CCC[N@@H+]2C)cc1N 71494181 572834647 /nfs/dbraw/zinc/83/46/47/572834647.db2.gz IHAANSYMDGDGRV-GFCCVEGCSA-N 1 1 190.290 2.344 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@@H](C)[C@H]1CN 299916714 572835102 /nfs/dbraw/zinc/83/51/02/572835102.db2.gz WRSXXJCFRDEZLL-QJPTWQEYSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@H](C)[C@@H](O)C1 299916781 572835532 /nfs/dbraw/zinc/83/55/32/572835532.db2.gz SROCLTSTWMBNFK-SRVKXCTJSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@H](C)[C@H]1CN 299916716 572835624 /nfs/dbraw/zinc/83/56/24/572835624.db2.gz WRSXXJCFRDEZLL-SDDRHHMPSA-N 1 1 198.354 2.092 10 0 AEAEMO Cc1ccc(-c2coc(C[NH3+])n2)cc1 71500158 572836442 /nfs/dbraw/zinc/83/64/42/572836442.db2.gz GAUNKAUAJAKTQU-UHFFFAOYSA-N 1 1 188.230 2.109 10 0 AEAEMO C[C@H](F)CC[N@@H+](C)CCC1CC1 307956783 572837468 /nfs/dbraw/zinc/83/74/68/572837468.db2.gz RVYXVUODRGBHFS-VIFPVBQESA-N 1 1 173.275 2.466 10 0 AEAEMO CC[C@H](C)[N@H+](CCN)C[C@H](C)CC 308143439 572837695 /nfs/dbraw/zinc/83/76/95/572837695.db2.gz MNFHBKPWTGCOFR-MNOVXSKESA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@H](C)C[N@@H+](CCN)[C@@H](C)CC 308143440 572838013 /nfs/dbraw/zinc/83/80/13/572838013.db2.gz MNFHBKPWTGCOFR-QWRGUYRKSA-N 1 1 186.343 2.092 10 0 AEAEMO C[C@@H](F)CC[N@@H+](C)CCC1CC1 307956781 572838702 /nfs/dbraw/zinc/83/87/02/572838702.db2.gz RVYXVUODRGBHFS-SECBINFHSA-N 1 1 173.275 2.466 10 0 AEAEMO Cc1cc(C)c(C)c(C(=O)C[NH3+])c1C 71505908 572839068 /nfs/dbraw/zinc/83/90/68/572839068.db2.gz CCZXSDZVJWJUMK-UHFFFAOYSA-N 1 1 191.274 2.062 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)Cc1ccc[nH]1 308148418 572839249 /nfs/dbraw/zinc/83/92/49/572839249.db2.gz MWZLXCWOCZIELI-JTQLQIEISA-N 1 1 180.295 2.491 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc[nH]1 308148419 572839600 /nfs/dbraw/zinc/83/96/00/572839600.db2.gz MWZLXCWOCZIELI-SNVBAGLBSA-N 1 1 180.295 2.491 10 0 AEAEMO C[C@@H]1C[N@H+](C2CCCCCC2)CCN1 71507415 572839611 /nfs/dbraw/zinc/83/96/11/572839611.db2.gz NSSWUXFOCLRMID-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CCCC[C@@H](CN)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86008883 572840329 /nfs/dbraw/zinc/84/03/29/572840329.db2.gz UGXSJFKDUSKYMY-TUAOUCFPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCCc1ocnc1C[NH2+]C1CC1 85941417 572840372 /nfs/dbraw/zinc/84/03/72/572840372.db2.gz CPFRWPUESCYKDV-UHFFFAOYSA-N 1 1 194.278 2.269 10 0 AEAEMO CC1(C)C[NH2+][C@@H](c2ccccc2F)O1 71507008 572840468 /nfs/dbraw/zinc/84/04/68/572840468.db2.gz YREWTUSWMOQWGO-SNVBAGLBSA-N 1 1 195.237 2.223 10 0 AEAEMO C[C@H]1[NH2+]Cc2nc(-c3ccco3)oc21 75405546 572840667 /nfs/dbraw/zinc/84/06/67/572840667.db2.gz GREZTVKOVVJKJJ-ZCFIWIBFSA-N 1 1 190.202 2.099 10 0 AEAEMO C[C@@H](F)CC[N@@H+](C)CC1CCC1 307957288 572840865 /nfs/dbraw/zinc/84/08/65/572840865.db2.gz SAPDFJXJAGHATJ-SECBINFHSA-N 1 1 173.275 2.466 10 0 AEAEMO CCCCCC[N@@H+]1CCC=C[C@H]1CN 75414286 572840891 /nfs/dbraw/zinc/84/08/91/572840891.db2.gz FVNNMBXBKASILD-LBPRGKRZSA-N 1 1 196.338 2.156 10 0 AEAEMO CCCCCC[N@H+]1CCC=C[C@H]1CN 75414286 572840897 /nfs/dbraw/zinc/84/08/97/572840897.db2.gz FVNNMBXBKASILD-LBPRGKRZSA-N 1 1 196.338 2.156 10 0 AEAEMO CC1(C)C[NH2+][C@H](c2ccccc2F)O1 71507007 572841213 /nfs/dbraw/zinc/84/12/13/572841213.db2.gz YREWTUSWMOQWGO-JTQLQIEISA-N 1 1 195.237 2.223 10 0 AEAEMO C[C@@H]1[NH2+]Cc2nc(-c3ccco3)oc21 75405547 572841555 /nfs/dbraw/zinc/84/15/55/572841555.db2.gz GREZTVKOVVJKJJ-LURJTMIESA-N 1 1 190.202 2.099 10 0 AEAEMO C[C@H]1C[C@@H]1c1ocnc1C[NH2+]C1CC1 85941442 572841556 /nfs/dbraw/zinc/84/15/56/572841556.db2.gz ACPSORAUUZQSJK-CBAPKCEASA-N 1 1 192.262 2.050 10 0 AEAEMO CC(C)c1ocnc1C[NH2+]C1CC1 85941484 572841564 /nfs/dbraw/zinc/84/15/64/572841564.db2.gz AYQJBLPCUYGUBA-UHFFFAOYSA-N 1 1 180.251 2.050 10 0 AEAEMO c1nc(C[NH2+]C2CC2)c(C2CCC2)o1 85941497 572841880 /nfs/dbraw/zinc/84/18/80/572841880.db2.gz ALGMTGLCFGSTIO-UHFFFAOYSA-N 1 1 192.262 2.194 10 0 AEAEMO CCC(CC)(CN)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86008847 572842065 /nfs/dbraw/zinc/84/20/65/572842065.db2.gz KWLBVVRJAMUHIK-PHIMTYICSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)c1ocnc1C[NH2+]C1CC1 85941593 572842112 /nfs/dbraw/zinc/84/21/12/572842112.db2.gz AAXCUMZSAKUBJT-QMMMGPOBSA-N 1 1 194.278 2.440 10 0 AEAEMO CCCCCC[N@@H+]1CCC=C[C@@H]1CN 75414284 572842220 /nfs/dbraw/zinc/84/22/20/572842220.db2.gz FVNNMBXBKASILD-GFCCVEGCSA-N 1 1 196.338 2.156 10 0 AEAEMO CCCCCC[N@H+]1CCC=C[C@@H]1CN 75414284 572842222 /nfs/dbraw/zinc/84/22/22/572842222.db2.gz FVNNMBXBKASILD-GFCCVEGCSA-N 1 1 196.338 2.156 10 0 AEAEMO CC(C)Cc1ocnc1C[NH2+]C1CC1 85941556 572842267 /nfs/dbraw/zinc/84/22/67/572842267.db2.gz OJXPXRSSTPHICB-UHFFFAOYSA-N 1 1 194.278 2.125 10 0 AEAEMO CC[N@@H+](C1CC1)[C@@](C)(CC)C(C)=O 308150776 572842442 /nfs/dbraw/zinc/84/24/42/572842442.db2.gz QQZAEZTWQSODIV-NSHDSACASA-N 1 1 183.295 2.228 10 0 AEAEMO CC(C)(C)c1ocnc1C[NH2+]C1CC1 85941485 572842571 /nfs/dbraw/zinc/84/25/71/572842571.db2.gz KCKSKUJEPLYACO-UHFFFAOYSA-N 1 1 194.278 2.224 10 0 AEAEMO CCC[C@@](C)(CN)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86008995 572842639 /nfs/dbraw/zinc/84/26/39/572842639.db2.gz CWZIGZYQPZMQPA-TUAOUCFPSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1C[C@H]1c1ocnc1C[NH2+]C1CC1 85941446 572842977 /nfs/dbraw/zinc/84/29/77/572842977.db2.gz ACPSORAUUZQSJK-VXNVDRBHSA-N 1 1 192.262 2.050 10 0 AEAEMO CCCC[C@H](CN)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86008884 572843454 /nfs/dbraw/zinc/84/34/54/572843454.db2.gz UGXSJFKDUSKYMY-GRYCIOLGSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1C[C@H]1c1ocnc1C[NH2+]C1CC1 85941448 572843962 /nfs/dbraw/zinc/84/39/62/572843962.db2.gz ACPSORAUUZQSJK-IONNQARKSA-N 1 1 192.262 2.050 10 0 AEAEMO C[C@@H]1C[C@@H]1c1ocnc1C[NH2+]C1CC1 85941436 572844185 /nfs/dbraw/zinc/84/41/85/572844185.db2.gz ACPSORAUUZQSJK-APPZFPTMSA-N 1 1 192.262 2.050 10 0 AEAEMO CC[C@@H](C)c1ocnc1C[NH2+]C1CC1 85941591 572844212 /nfs/dbraw/zinc/84/42/12/572844212.db2.gz AAXCUMZSAKUBJT-MRVPVSSYSA-N 1 1 194.278 2.440 10 0 AEAEMO CC[NH2+][C@@H](C=C(C)C)c1ncccn1 86027321 572844386 /nfs/dbraw/zinc/84/43/86/572844386.db2.gz DCIFUPKHOZMBCY-JTQLQIEISA-N 1 1 191.278 2.093 10 0 AEAEMO CC[N@@H+](C1CC1)[C@](C)(CC)C(C)=O 308150775 572844431 /nfs/dbraw/zinc/84/44/31/572844431.db2.gz QQZAEZTWQSODIV-LLVKDONJSA-N 1 1 183.295 2.228 10 0 AEAEMO C/C=C/C=C/C[N@H+](C)CCSC 308152977 572845461 /nfs/dbraw/zinc/84/54/61/572845461.db2.gz NKXUHEICEYQHAZ-YTXTXJHMSA-N 1 1 185.336 2.414 10 0 AEAEMO C[C@@H](C[N@@H+](C)C1CC1)C(F)(F)F 307959239 572845691 /nfs/dbraw/zinc/84/56/91/572845691.db2.gz UTUKIMVLXQEDBI-LURJTMIESA-N 1 1 181.201 2.279 10 0 AEAEMO CCC(CC)OCn1cc[nH+]c1C 308152878 572846189 /nfs/dbraw/zinc/84/61/89/572846189.db2.gz RTIXTRGOHDNUCK-UHFFFAOYSA-N 1 1 182.267 2.354 10 0 AEAEMO C[C@H](C[N@@H+](C)C1CC1)C(F)(F)F 307959241 572846513 /nfs/dbraw/zinc/84/65/13/572846513.db2.gz UTUKIMVLXQEDBI-ZCFIWIBFSA-N 1 1 181.201 2.279 10 0 AEAEMO C[C@@H](C1CCC1)[N@@H+](C)CCCF 307958806 572846489 /nfs/dbraw/zinc/84/64/89/572846489.db2.gz ILYHKJYPCNYKRK-VIFPVBQESA-N 1 1 173.275 2.466 10 0 AEAEMO CC(C)CSCC[N@H+]1CC[C@@H]2C[C@@H]21 308144986 572849013 /nfs/dbraw/zinc/84/90/13/572849013.db2.gz LGUWSJRZMDCNLI-MNOVXSKESA-N 1 1 199.363 2.470 10 0 AEAEMO C[C@H](C1CCC1)[N@@H+](C)CCCF 307958805 572846890 /nfs/dbraw/zinc/84/68/90/572846890.db2.gz ILYHKJYPCNYKRK-SECBINFHSA-N 1 1 173.275 2.466 10 0 AEAEMO C/C=C/C=C\C[N@H+](C)CCSC 308152976 572847057 /nfs/dbraw/zinc/84/70/57/572847057.db2.gz NKXUHEICEYQHAZ-DEQVHDEQSA-N 1 1 185.336 2.414 10 0 AEAEMO CSCCC[N@@H+](C)CC[C@H](C)F 308152092 572847095 /nfs/dbraw/zinc/84/70/95/572847095.db2.gz NCUQFQYMAXAMMY-VIFPVBQESA-N 1 1 193.331 2.419 10 0 AEAEMO CC[C@](C)([C@H](C=C(C)C)NC)[NH+](C)C 86058777 572847635 /nfs/dbraw/zinc/84/76/35/572847635.db2.gz NVHFLLXIIDEHSO-NWDGAFQWSA-N 1 1 198.354 2.271 10 0 AEAEMO CC[NH+](CC)CC[C@@H](N)C=C(C)C 86059087 572848205 /nfs/dbraw/zinc/84/82/05/572848205.db2.gz WRMRFEXTINEXRZ-LLVKDONJSA-N 1 1 184.327 2.012 10 0 AEAEMO CNC(C)(C)C[NH2+][C@H](C)CC(C)C 308145125 572848528 /nfs/dbraw/zinc/84/85/28/572848528.db2.gz XMQDXVPMOOYIPU-SNVBAGLBSA-N 1 1 186.343 2.009 10 0 AEAEMO CC[NH+](CC)CC[C@H](C=C(C)C)NC 86059094 572848918 /nfs/dbraw/zinc/84/89/18/572848918.db2.gz BBBZRLPVQAYRPL-GFCCVEGCSA-N 1 1 198.354 2.273 10 0 AEAEMO CC[C@](C)([C@@H](C=C(C)C)NC)[NH+](C)C 86058774 572848995 /nfs/dbraw/zinc/84/89/95/572848995.db2.gz NVHFLLXIIDEHSO-VXGBXAGGSA-N 1 1 198.354 2.271 10 0 AEAEMO CC[C@@](C)([C@H](C=C(C)C)NC)[NH+](C)C 86058776 572849284 /nfs/dbraw/zinc/84/92/84/572849284.db2.gz NVHFLLXIIDEHSO-RYUDHWBXSA-N 1 1 198.354 2.271 10 0 AEAEMO CSCCC[N@H+]1CC[C@@](C)(F)C1 308144848 572850116 /nfs/dbraw/zinc/85/01/16/572850116.db2.gz JIVDCHJETUXBKQ-SECBINFHSA-N 1 1 191.315 2.173 10 0 AEAEMO CC[N@@H+](Cc1cc[nH]c1)C(C)C 307960022 572850663 /nfs/dbraw/zinc/85/06/63/572850663.db2.gz VOMMSQOCTGMBCR-UHFFFAOYSA-N 1 1 166.268 2.245 10 0 AEAEMO CC(C)C[C@@H](C)[N@@H+](C)C(C)(C)CO 308144995 572850769 /nfs/dbraw/zinc/85/07/69/572850769.db2.gz NKTRFYCWFWSHNB-SNVBAGLBSA-N 1 1 187.327 2.124 10 0 AEAEMO CSCCC[N@H+]1CC[C@](C)(F)C1 308144849 572850990 /nfs/dbraw/zinc/85/09/90/572850990.db2.gz JIVDCHJETUXBKQ-VIFPVBQESA-N 1 1 191.315 2.173 10 0 AEAEMO Cc1cc(OCCCF)cc[nH+]1 308144815 572851082 /nfs/dbraw/zinc/85/10/82/572851082.db2.gz JGOILGMQZHSOCZ-UHFFFAOYSA-N 1 1 169.199 2.128 10 0 AEAEMO CNC(C)(C)C[NH2+][C@@H](C)CC(C)C 308145124 572851294 /nfs/dbraw/zinc/85/12/94/572851294.db2.gz XMQDXVPMOOYIPU-JTQLQIEISA-N 1 1 186.343 2.009 10 0 AEAEMO CCCC[N@@H+](C)[C@@](C)(CC)[C@@H](C)O 308146047 572852884 /nfs/dbraw/zinc/85/28/84/572852884.db2.gz NYRLZTAQYIMIGE-MNOVXSKESA-N 1 1 187.327 2.268 10 0 AEAEMO CCCC[N@@H+](C)[C@@](C)(CC)[C@H](C)O 308146048 572853410 /nfs/dbraw/zinc/85/34/10/572853410.db2.gz NYRLZTAQYIMIGE-QWRGUYRKSA-N 1 1 187.327 2.268 10 0 AEAEMO C[C@@H]1C[N@@H+](CCCC[C@@H](C)O)C[C@@H]1C 86011564 572854126 /nfs/dbraw/zinc/85/41/26/572854126.db2.gz CBCKPPNJYKZHAZ-GRYCIOLGSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 50132528 572854170 /nfs/dbraw/zinc/85/41/70/572854170.db2.gz XDVPXPYZHRMYBT-SNVBAGLBSA-N 1 1 191.274 2.096 10 0 AEAEMO OC[C@H]1CCCC[N@H+]1C1CCCCC1 50104132 572854754 /nfs/dbraw/zinc/85/47/54/572854754.db2.gz UYDBFXLZGOMPFQ-GFCCVEGCSA-N 1 1 197.322 2.166 10 0 AEAEMO CCCC[C@@H](N)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86015647 572855215 /nfs/dbraw/zinc/85/52/15/572855215.db2.gz SSRWJOPZCDQIQB-GRYCIOLGSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[C@@H](N)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86015647 572855218 /nfs/dbraw/zinc/85/52/18/572855218.db2.gz SSRWJOPZCDQIQB-GRYCIOLGSA-N 1 1 198.354 2.092 10 0 AEAEMO OC[C@@H]1CCCC[N@H+]1C1CCCCC1 50104133 572855372 /nfs/dbraw/zinc/85/53/72/572855372.db2.gz UYDBFXLZGOMPFQ-LBPRGKRZSA-N 1 1 197.322 2.166 10 0 AEAEMO CC(C)CC[NH2+]C1(C(F)F)CC1 307961838 572855422 /nfs/dbraw/zinc/85/54/22/572855422.db2.gz XQSSTCCHXFPBHX-UHFFFAOYSA-N 1 1 177.238 2.420 10 0 AEAEMO CCCCC[N@@H+](C)[C@H](C)COC 307962559 572855602 /nfs/dbraw/zinc/85/56/02/572855602.db2.gz YGSGAMTVWCMNAV-SNVBAGLBSA-N 1 1 173.300 2.143 10 0 AEAEMO CCCC[C@H](N)C[NH+]1C[C@@H](C)[C@H](C)C1 86015650 572855803 /nfs/dbraw/zinc/85/58/03/572855803.db2.gz SSRWJOPZCDQIQB-UTUOFQBUSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1[NH2+]Cc2nc(C3CC3)sc21 75463897 572856327 /nfs/dbraw/zinc/85/63/27/572856327.db2.gz QCZSBYMZCQZQCL-RXMQYKEDSA-N 1 1 180.276 2.185 10 0 AEAEMO CCC[C@@H](C)[N@@H+](CCN)[C@H](C)CC 308146969 572856349 /nfs/dbraw/zinc/85/63/49/572856349.db2.gz OQXBZBKNJHOKOF-GHMZBOCLSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@H](C)[N@@H+](CCN)[C@@H](C)CC 308146971 572856479 /nfs/dbraw/zinc/85/64/79/572856479.db2.gz OQXBZBKNJHOKOF-QWRGUYRKSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@@](C)(N)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86015360 572856494 /nfs/dbraw/zinc/85/64/94/572856494.db2.gz OSHRVJJRKKHKGJ-GRYCIOLGSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@@](C)(N)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86015360 572856498 /nfs/dbraw/zinc/85/64/98/572856498.db2.gz OSHRVJJRKKHKGJ-GRYCIOLGSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@](C)(N)C[NH+]1C[C@@H](C)[C@H](C)C1 86015363 572856573 /nfs/dbraw/zinc/85/65/73/572856573.db2.gz OSHRVJJRKKHKGJ-UTUOFQBUSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCCC[N@@H+](C)[C@@H](C)COC 307962558 572856625 /nfs/dbraw/zinc/85/66/25/572856625.db2.gz YGSGAMTVWCMNAV-JTQLQIEISA-N 1 1 173.300 2.143 10 0 AEAEMO CCC[C@](C)(N)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86015356 572856627 /nfs/dbraw/zinc/85/66/27/572856627.db2.gz OSHRVJJRKKHKGJ-TUAOUCFPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@](C)(N)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86015356 572856630 /nfs/dbraw/zinc/85/66/30/572856630.db2.gz OSHRVJJRKKHKGJ-TUAOUCFPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[C@H](N)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86015644 572857123 /nfs/dbraw/zinc/85/71/23/572857123.db2.gz SSRWJOPZCDQIQB-TUAOUCFPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[C@H](N)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86015644 572857128 /nfs/dbraw/zinc/85/71/28/572857128.db2.gz SSRWJOPZCDQIQB-TUAOUCFPSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1[NH2+]Cc2nc(C3CC3)sc21 75463901 572857292 /nfs/dbraw/zinc/85/72/92/572857292.db2.gz QCZSBYMZCQZQCL-YFKPBYRVSA-N 1 1 180.276 2.185 10 0 AEAEMO CCC[C@H](C)[N@@H+](CCN)[C@H](C)CC 308146970 572857419 /nfs/dbraw/zinc/85/74/19/572857419.db2.gz OQXBZBKNJHOKOF-MNOVXSKESA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@@H](C)[N@@H+](CCN)[C@@H](C)CC 308146972 572857515 /nfs/dbraw/zinc/85/75/15/572857515.db2.gz OQXBZBKNJHOKOF-WDEREUQCSA-N 1 1 186.343 2.234 10 0 AEAEMO CSCC[N@@H+](C)CCCCCF 308146746 572857535 /nfs/dbraw/zinc/85/75/35/572857535.db2.gz KOYJPDBRIIXNSI-UHFFFAOYSA-N 1 1 193.331 2.421 10 0 AEAEMO CC[N@@H+](CCC(C)=O)Cc1ccco1 50153837 572858688 /nfs/dbraw/zinc/85/86/88/572858688.db2.gz GMJJKTUDHXAXBJ-UHFFFAOYSA-N 1 1 195.262 2.081 10 0 AEAEMO C[C@H]([N@H+]1CCCC[C@H]1CO)C(C)(C)C 257584934 572858743 /nfs/dbraw/zinc/85/87/43/572858743.db2.gz GDDWKVHZKQOCKN-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO [NH2+]=C1COc2cc3ccccc3cc2N1 238594420 572858877 /nfs/dbraw/zinc/85/88/77/572858877.db2.gz RHUSCTUGEFESLW-UHFFFAOYSA-N 1 1 198.225 2.221 10 0 AEAEMO C[C@@H]([N@H+]1CCCC[C@H]1CO)C(C)(C)C 257584932 572859717 /nfs/dbraw/zinc/85/97/17/572859717.db2.gz GDDWKVHZKQOCKN-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO CCCC[N@@H+](C)[C@H](C)COCC 307963049 572859779 /nfs/dbraw/zinc/85/97/79/572859779.db2.gz YQZIWOHFHLSHNI-SNVBAGLBSA-N 1 1 173.300 2.143 10 0 AEAEMO CC(C)CC[N@@H+](C)[C@H]1CCO[C@H]1C 308147906 572859997 /nfs/dbraw/zinc/85/99/97/572859997.db2.gz MQXDYIIHYUXGJC-QWRGUYRKSA-N 1 1 185.311 2.142 10 0 AEAEMO CC[C@H]([N@H+]1CCC[C@H]1CO)C(C)(C)C 257585492 572860070 /nfs/dbraw/zinc/86/00/70/572860070.db2.gz LDEAHBLQGMMRPQ-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)CC[N@@H+](C)[C@H]1CCO[C@@H]1C 308147904 572860093 /nfs/dbraw/zinc/86/00/93/572860093.db2.gz MQXDYIIHYUXGJC-MNOVXSKESA-N 1 1 185.311 2.142 10 0 AEAEMO CC(C)CC[N@@H+](C)[C@@H]1CCO[C@@H]1C 308147903 572860164 /nfs/dbraw/zinc/86/01/64/572860164.db2.gz MQXDYIIHYUXGJC-GHMZBOCLSA-N 1 1 185.311 2.142 10 0 AEAEMO CC[C@@H]([N@H+]1CCC[C@H]1CO)C(C)(C)C 257585493 572861221 /nfs/dbraw/zinc/86/12/21/572861221.db2.gz LDEAHBLQGMMRPQ-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)CC[N@@H+](C)[C@@H]1CCO[C@H]1C 308147907 572861359 /nfs/dbraw/zinc/86/13/59/572861359.db2.gz MQXDYIIHYUXGJC-WDEREUQCSA-N 1 1 185.311 2.142 10 0 AEAEMO CNC[C@@H](C)[N@@H+]1CCC[C@H]1C(C)(C)C 251150817 572864701 /nfs/dbraw/zinc/86/47/01/572864701.db2.gz YCNSVQQWPSHZPE-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(=O)C[N@H+](C)Cc1ccccc1 50180214 572864862 /nfs/dbraw/zinc/86/48/62/572864862.db2.gz FJAQSGWDKMBJAP-UHFFFAOYSA-N 1 1 191.274 2.098 10 0 AEAEMO CCC(=O)C[N@@H+](C)Cc1ccccc1 50180214 572864873 /nfs/dbraw/zinc/86/48/73/572864873.db2.gz FJAQSGWDKMBJAP-UHFFFAOYSA-N 1 1 191.274 2.098 10 0 AEAEMO CC[C@H](F)C[N@@H+](C)[C@@H]1CCSC1 307965464 572866310 /nfs/dbraw/zinc/86/63/10/572866310.db2.gz BMFNVNXVRZJSAR-DTWKUNHWSA-N 1 1 191.315 2.172 10 0 AEAEMO CC[C@@H](F)C[N@@H+](C)[C@@H]1CCSC1 307965468 572866419 /nfs/dbraw/zinc/86/64/19/572866419.db2.gz BMFNVNXVRZJSAR-RKDXNWHRSA-N 1 1 191.315 2.172 10 0 AEAEMO CC(C)CC[N@@H+](C)Cc1cc[nH]c1 308155063 572866783 /nfs/dbraw/zinc/86/67/83/572866783.db2.gz QRTQYVYRIGLUNB-UHFFFAOYSA-N 1 1 180.295 2.493 10 0 AEAEMO CSC[C@@H](C)[N@@H+](C)CCCCF 308161545 572876047 /nfs/dbraw/zinc/87/60/47/572876047.db2.gz RRHCEKMEPAJFCQ-SECBINFHSA-N 1 1 193.331 2.419 10 0 AEAEMO CCCC[N@@H+](C)[C@@](C)(CC)[C@H](C)N 308155176 572867297 /nfs/dbraw/zinc/86/72/97/572867297.db2.gz SYIFZCDSKQFHOR-QWRGUYRKSA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[N@@H+](C)[C@](C)(CC)[C@H](C)N 308155177 572867867 /nfs/dbraw/zinc/86/78/67/572867867.db2.gz SYIFZCDSKQFHOR-WDEREUQCSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@H](F)C[N@@H+](C)[C@H]1CCSC1 307965466 572868004 /nfs/dbraw/zinc/86/80/04/572868004.db2.gz BMFNVNXVRZJSAR-IUCAKERBSA-N 1 1 191.315 2.172 10 0 AEAEMO CCCC[N@@H+](C)[C@@](C)(CC)[C@@H](C)N 308155175 572868211 /nfs/dbraw/zinc/86/82/11/572868211.db2.gz SYIFZCDSKQFHOR-MNOVXSKESA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[N@@H+](C)[C@](C)(CC)[C@@H](C)N 308155174 572868635 /nfs/dbraw/zinc/86/86/35/572868635.db2.gz SYIFZCDSKQFHOR-GHMZBOCLSA-N 1 1 186.343 2.234 10 0 AEAEMO C/C=C\C[NH2+][C@H](C)c1ncc(C)o1 308155511 572874170 /nfs/dbraw/zinc/87/41/70/572874170.db2.gz PTPOSLIBXXYUKK-XRVBUDJMSA-N 1 1 180.251 2.210 10 0 AEAEMO C/C=C\C[NH2+][C@@H](C)c1ncc(C)o1 308155507 572873537 /nfs/dbraw/zinc/87/35/37/572873537.db2.gz PTPOSLIBXXYUKK-WBSSQXGSSA-N 1 1 180.251 2.210 10 0 AEAEMO CSC[C@H](C)[N@@H+](C)CCCCF 308161546 572873545 /nfs/dbraw/zinc/87/35/45/572873545.db2.gz RRHCEKMEPAJFCQ-VIFPVBQESA-N 1 1 193.331 2.419 10 0 AEAEMO C[N@@H+](CCCCF)[C@@H]1CC1(C)C 308160923 572873625 /nfs/dbraw/zinc/87/36/25/572873625.db2.gz REWJZNPZYNEIHA-SECBINFHSA-N 1 1 173.275 2.466 10 0 AEAEMO CCCC[N@@H+]([C@@H](C)CC)[C@@H](C)CN 50280141 572873680 /nfs/dbraw/zinc/87/36/80/572873680.db2.gz PKPPDMMITBYLOB-QWRGUYRKSA-N 1 1 186.343 2.234 10 0 AEAEMO C[N@@H+](CCCCF)[C@H]1CC1(C)C 308160927 572873792 /nfs/dbraw/zinc/87/37/92/572873792.db2.gz REWJZNPZYNEIHA-VIFPVBQESA-N 1 1 173.275 2.466 10 0 AEAEMO CC[C@H](C)[C@@](C)(CN)[N@@H+](C)C(C)C 308158571 572876901 /nfs/dbraw/zinc/87/69/01/572876901.db2.gz VIOZNPPBSVJNQL-WDEREUQCSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@H](C)[C@](C)(CN)[N@@H+](C)C(C)C 308158569 572876819 /nfs/dbraw/zinc/87/68/19/572876819.db2.gz VIOZNPPBSVJNQL-MNOVXSKESA-N 1 1 186.343 2.090 10 0 AEAEMO CCCC[C@@H](CC)[N@@H+](C)C[C@H](C)N 308162548 572877233 /nfs/dbraw/zinc/87/72/33/572877233.db2.gz XOUDWNSIDLVNIH-WDEREUQCSA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[C@@H](CC)N(C)C[C@H](C)[NH3+] 308162548 572877236 /nfs/dbraw/zinc/87/72/36/572877236.db2.gz XOUDWNSIDLVNIH-WDEREUQCSA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[C@@H](CC)[N@@H+](C)C[C@@H](C)N 308162544 572877263 /nfs/dbraw/zinc/87/72/63/572877263.db2.gz XOUDWNSIDLVNIH-GHMZBOCLSA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[C@@H](CC)N(C)C[C@@H](C)[NH3+] 308162544 572877266 /nfs/dbraw/zinc/87/72/66/572877266.db2.gz XOUDWNSIDLVNIH-GHMZBOCLSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@@H](C)[C@@](C)(CN)[N@@H+](C)C(C)C 308158568 572877327 /nfs/dbraw/zinc/87/73/27/572877327.db2.gz VIOZNPPBSVJNQL-GHMZBOCLSA-N 1 1 186.343 2.090 10 0 AEAEMO CCOCC[N@@H+](C)CC(C)(C)CC 308158306 572877703 /nfs/dbraw/zinc/87/77/03/572877703.db2.gz CFZQRYDBBRYPEB-UHFFFAOYSA-N 1 1 187.327 2.391 10 0 AEAEMO CC[C@H](C)[C@](C)(CN)[N@@H+](C)C(C)C 308158570 572879269 /nfs/dbraw/zinc/87/92/69/572879269.db2.gz VIOZNPPBSVJNQL-QWRGUYRKSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@](C)([C@H](C)N)[N@@H+](C)CC(C)C 308158984 572879573 /nfs/dbraw/zinc/87/95/73/572879573.db2.gz VOJCZZRMGKGPIC-WDEREUQCSA-N 1 1 186.343 2.090 10 0 AEAEMO CCCC[N@H+]1CCC[C@H](O)[C@H]1CC 308159585 572880005 /nfs/dbraw/zinc/88/00/05/572880005.db2.gz WZQYUEFKYIAFGU-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO CCCC[N@H+]1CCC[C@@H](O)[C@H]1CC 308159583 572880549 /nfs/dbraw/zinc/88/05/49/572880549.db2.gz WZQYUEFKYIAFGU-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@@](C)([C@H](C)N)[N@@H+](C)CC(C)C 308158983 572880651 /nfs/dbraw/zinc/88/06/51/572880651.db2.gz VOJCZZRMGKGPIC-QWRGUYRKSA-N 1 1 186.343 2.090 10 0 AEAEMO CCSCC[N@@H+](C)[C@H]1CC1(C)C 307972506 572880739 /nfs/dbraw/zinc/88/07/39/572880739.db2.gz IAHUVOIQAKOQNL-VIFPVBQESA-N 1 1 187.352 2.470 10 0 AEAEMO CC[C@@](C)([C@@H](C)N)[N@@H+](C)CC(C)C 308158982 572881149 /nfs/dbraw/zinc/88/11/49/572881149.db2.gz VOJCZZRMGKGPIC-MNOVXSKESA-N 1 1 186.343 2.090 10 0 AEAEMO CC(C)C[N@@H+](C)CCOC(F)(F)F 308159353 572881492 /nfs/dbraw/zinc/88/14/92/572881492.db2.gz UDNIIOHXQQHYKA-UHFFFAOYSA-N 1 1 199.216 2.111 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](CCF)C1CC1 307968064 572882073 /nfs/dbraw/zinc/88/20/73/572882073.db2.gz UKPABALVQAXUHS-SECBINFHSA-N 1 1 173.275 2.465 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](CCF)C1CC1 307968065 572882451 /nfs/dbraw/zinc/88/24/51/572882451.db2.gz UKPABALVQAXUHS-VIFPVBQESA-N 1 1 173.275 2.465 10 0 AEAEMO CCC[N@@H+](CC)[C@](C)(CC)[C@H](C)N 308165133 572882693 /nfs/dbraw/zinc/88/26/93/572882693.db2.gz YYBACHADFIQXKG-WDEREUQCSA-N 1 1 186.343 2.234 10 0 AEAEMO CC(C)CC1CC[NH+]([C@H](C)CN)CC1 75600941 572882828 /nfs/dbraw/zinc/88/28/28/572882828.db2.gz JTIQZYMUUYTVSJ-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO CCSCC[N@@H+](C)[C@@H]1CC1(C)C 307972505 572882888 /nfs/dbraw/zinc/88/28/88/572882888.db2.gz IAHUVOIQAKOQNL-SECBINFHSA-N 1 1 187.352 2.470 10 0 AEAEMO CCC[N@@H+](CC)[C@@](C)(CC)[C@@H](C)N 308165131 572883404 /nfs/dbraw/zinc/88/34/04/572883404.db2.gz YYBACHADFIQXKG-MNOVXSKESA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[N@@H+](CC)[C@](C)(CC)[C@@H](C)N 308165130 572883433 /nfs/dbraw/zinc/88/34/33/572883433.db2.gz YYBACHADFIQXKG-GHMZBOCLSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[N@@H+](CC)[C@@](C)(CC)[C@H](C)N 308165132 572883922 /nfs/dbraw/zinc/88/39/22/572883922.db2.gz YYBACHADFIQXKG-QWRGUYRKSA-N 1 1 186.343 2.234 10 0 AEAEMO CC(C)CC1CC[NH+]([C@@H](C)CN)CC1 75600939 572884875 /nfs/dbraw/zinc/88/48/75/572884875.db2.gz JTIQZYMUUYTVSJ-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@@H](C)[N@@H+](CCO)[C@H](C)CC 308167411 572886331 /nfs/dbraw/zinc/88/63/31/572886331.db2.gz ZWIZNYBYKFMGAX-GHMZBOCLSA-N 1 1 187.327 2.268 10 0 AEAEMO CCC[C@H](C)[N@@H+](CCO)[C@H](C)CC 308167413 572886467 /nfs/dbraw/zinc/88/64/67/572886467.db2.gz ZWIZNYBYKFMGAX-MNOVXSKESA-N 1 1 187.327 2.268 10 0 AEAEMO CC(=O)C[C@H](C)[N@H+]1CC[C@@H](C2CC2)C1 400038571 572886533 /nfs/dbraw/zinc/88/65/33/572886533.db2.gz LJWVWWSZQZOJMM-JOYOIKCWSA-N 1 1 195.306 2.086 10 0 AEAEMO CCC[C@H](C)[N@@H+](CCO)[C@@H](C)CC 308167414 572886982 /nfs/dbraw/zinc/88/69/82/572886982.db2.gz ZWIZNYBYKFMGAX-QWRGUYRKSA-N 1 1 187.327 2.268 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCC[C@]1(C)CO 308168715 572888189 /nfs/dbraw/zinc/88/81/89/572888189.db2.gz AOHJBQFTXCDPRK-WDEREUQCSA-N 1 1 185.311 2.022 10 0 AEAEMO Cn1cc(N)[nH+]c1C1CCCCC1 75620504 572888588 /nfs/dbraw/zinc/88/85/88/572888588.db2.gz HUDHUUCQCGOTPK-UHFFFAOYSA-N 1 1 179.267 2.050 10 0 AEAEMO CC(=O)C[C@H](C)[N@H+]1CC[C@H](C2CC2)C1 400038569 572889536 /nfs/dbraw/zinc/88/95/36/572889536.db2.gz LJWVWWSZQZOJMM-CABZTGNLSA-N 1 1 195.306 2.086 10 0 AEAEMO CC(=O)C[C@@H](C)[N@H+]1CC[C@H](C2CC2)C1 400038574 572889571 /nfs/dbraw/zinc/88/95/71/572889571.db2.gz LJWVWWSZQZOJMM-SKDRFNHKSA-N 1 1 195.306 2.086 10 0 AEAEMO CC(=O)C[C@@H](C)[N@H+]1CC[C@@H](C2CC2)C1 400038566 572889626 /nfs/dbraw/zinc/88/96/26/572889626.db2.gz LJWVWWSZQZOJMM-BXKDBHETSA-N 1 1 195.306 2.086 10 0 AEAEMO CC(C)CC[C@H](O)C[N@@H+](C)C(C)C 308168574 572889853 /nfs/dbraw/zinc/88/98/53/572889853.db2.gz YOSNGJQHUABOGD-NSHDSACASA-N 1 1 187.327 2.124 10 0 AEAEMO Cc1ccc(OCC(C)C)c(N)[nH+]1 50440843 572890404 /nfs/dbraw/zinc/89/04/04/572890404.db2.gz XBRBZIYXCQTHHY-UHFFFAOYSA-N 1 1 180.251 2.007 10 0 AEAEMO CC(C)C(=O)CC[N@H+]1[C@@H](C)C[C@H]1C 308170149 572890680 /nfs/dbraw/zinc/89/06/80/572890680.db2.gz ZDQFPBFAMPOFJO-AOOOYVTPSA-N 1 1 183.295 2.084 10 0 AEAEMO C/C=C/C[N@@H+]1CC[C@@H](CSC)C1 308172006 572891480 /nfs/dbraw/zinc/89/14/80/572891480.db2.gz XFGYBKSBNLBFOT-HMDXOVGESA-N 1 1 185.336 2.247 10 0 AEAEMO C[C@H](CC(F)F)[NH2+][C@H](C)C(F)F 308171835 572892371 /nfs/dbraw/zinc/89/23/71/572892371.db2.gz XAKKWTQEBVQQNG-RFZPGFLSSA-N 1 1 187.180 2.273 10 0 AEAEMO C/C=C\C[N@@H+]1CC[C@@H](CSC)C1 308172011 572892477 /nfs/dbraw/zinc/89/24/77/572892477.db2.gz XFGYBKSBNLBFOT-UMBAGQNISA-N 1 1 185.336 2.247 10 0 AEAEMO C/C=C\C[N@@H+]1CC[C@H](CSC)C1 308172017 572892533 /nfs/dbraw/zinc/89/25/33/572892533.db2.gz XFGYBKSBNLBFOT-XOULXFPDSA-N 1 1 185.336 2.247 10 0 AEAEMO CSC[C@@H]1CC[N@@H+](CCCF)C1 308172725 572892732 /nfs/dbraw/zinc/89/27/32/572892732.db2.gz XNWDHQZSNINZBE-SECBINFHSA-N 1 1 191.315 2.031 10 0 AEAEMO C[C@H]([NH2+][C@H](C)CC(F)F)C(F)F 308171837 572893083 /nfs/dbraw/zinc/89/30/83/572893083.db2.gz XAKKWTQEBVQQNG-UHNVWZDZSA-N 1 1 187.180 2.273 10 0 AEAEMO C[C@@H](CC(F)F)[NH2+][C@H](C)C(F)F 308171833 572893609 /nfs/dbraw/zinc/89/36/09/572893609.db2.gz XAKKWTQEBVQQNG-CRCLSJGQSA-N 1 1 187.180 2.273 10 0 AEAEMO CC(=O)C[C@@H](C)[N@@H+](C)CCC1CCC1 688691475 572893777 /nfs/dbraw/zinc/89/37/77/572893777.db2.gz NBLKHBYIPIGBPP-SNVBAGLBSA-N 1 1 197.322 2.476 10 0 AEAEMO C[N@@H+](CCC1CCC1)[C@H]1CCC(=O)C1 688691456 572894305 /nfs/dbraw/zinc/89/43/05/572894305.db2.gz MTGBTSSMDKFMBM-NSHDSACASA-N 1 1 195.306 2.230 10 0 AEAEMO C[N@@H+](CCC1CCC1)[C@@H]1CCC(=O)C1 688691455 572895898 /nfs/dbraw/zinc/89/58/98/572895898.db2.gz MTGBTSSMDKFMBM-LLVKDONJSA-N 1 1 195.306 2.230 10 0 AEAEMO CCCCC[N@@H+](C)CCC(C)(C)O 86233843 572895900 /nfs/dbraw/zinc/89/59/00/572895900.db2.gz PHMFDYKGJCMXAV-UHFFFAOYSA-N 1 1 187.327 2.269 10 0 AEAEMO CC(C)(O)CC[N@@H+](CC1CC1)C1CC1 86234348 572896063 /nfs/dbraw/zinc/89/60/63/572896063.db2.gz JWHHCLRVLGVPHK-UHFFFAOYSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC(CC)[N@@H+](C)CCC(C)(C)O 86233979 572896746 /nfs/dbraw/zinc/89/67/46/572896746.db2.gz HWDFBZQPPNPFDZ-UHFFFAOYSA-N 1 1 187.327 2.268 10 0 AEAEMO CNC(C)(C)C[NH2+]C1C(C)(C)C1(C)C 86241182 572898592 /nfs/dbraw/zinc/89/85/92/572898592.db2.gz HLVNLQQAUISIDE-UHFFFAOYSA-N 1 1 198.354 2.009 10 0 AEAEMO CCCNCC[NH2+]C1C(C)(C)C1(C)C 86241258 572898635 /nfs/dbraw/zinc/89/86/35/572898635.db2.gz AFWBPEKWLZESAS-UHFFFAOYSA-N 1 1 198.354 2.010 10 0 AEAEMO CC(=O)C[C@H](C)[N@@H+](C)CCC1CCC1 688691463 572898681 /nfs/dbraw/zinc/89/86/81/572898681.db2.gz NBLKHBYIPIGBPP-JTQLQIEISA-N 1 1 197.322 2.476 10 0 AEAEMO CCC[C@H](N)C[NH2+]C1C(C)(C)C1(C)C 86241212 572898925 /nfs/dbraw/zinc/89/89/25/572898925.db2.gz AUAYQJXFLAZLKF-VIFPVBQESA-N 1 1 198.354 2.138 10 0 AEAEMO C[C@H]1C[NH2+][C@@H](c2ccccc2Cl)O1 71507598 572899545 /nfs/dbraw/zinc/89/95/45/572899545.db2.gz RYGHAORRWJZXKK-OIBJUYFYSA-N 1 1 197.665 2.347 10 0 AEAEMO CCC[C@@H](N)C[NH2+]C1C(C)(C)C1(C)C 86241213 572899783 /nfs/dbraw/zinc/89/97/83/572899783.db2.gz AUAYQJXFLAZLKF-SECBINFHSA-N 1 1 198.354 2.138 10 0 AEAEMO CC(C)NCC[NH2+]C1C(C)(C)C1(C)C 86241195 572899877 /nfs/dbraw/zinc/89/98/77/572899877.db2.gz ISZVOAXQXSMSGR-UHFFFAOYSA-N 1 1 198.354 2.009 10 0 AEAEMO CC(C)[N@H+]1C[C@@H](N)C[C@H]1CC(C)(C)C 250487187 572899961 /nfs/dbraw/zinc/89/99/61/572899961.db2.gz FHFUMKUXZYGPND-QWRGUYRKSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)[N@H+]1C[C@H](N)C[C@H]1CC(C)(C)C 250487185 572899992 /nfs/dbraw/zinc/89/99/92/572899992.db2.gz FHFUMKUXZYGPND-MNOVXSKESA-N 1 1 198.354 2.233 10 0 AEAEMO C[C@@H]1CO[C@@H](c2ccccc2Cl)[NH2+]1 71507601 572900249 /nfs/dbraw/zinc/90/02/49/572900249.db2.gz OPHDVBWATORNPY-XCBNKYQSSA-N 1 1 197.665 2.347 10 0 AEAEMO C[C@@H]1CO[C@H](c2ccccc2Cl)[NH2+]1 71507599 572900102 /nfs/dbraw/zinc/90/01/02/572900102.db2.gz OPHDVBWATORNPY-GMSGAONNSA-N 1 1 197.665 2.347 10 0 AEAEMO C[C@@H]1C[NH2+][C@@H](c2ccccc2Cl)O1 71507597 572900341 /nfs/dbraw/zinc/90/03/41/572900341.db2.gz RYGHAORRWJZXKK-GMSGAONNSA-N 1 1 197.665 2.347 10 0 AEAEMO C[C@H]1CO[C@@H](c2ccccc2Cl)[NH2+]1 71507602 572900948 /nfs/dbraw/zinc/90/09/48/572900948.db2.gz OPHDVBWATORNPY-XVKPBYJWSA-N 1 1 197.665 2.347 10 0 AEAEMO C[C@H]1CO[C@H](c2ccccc2Cl)[NH2+]1 71507600 572901333 /nfs/dbraw/zinc/90/13/33/572901333.db2.gz OPHDVBWATORNPY-OIBJUYFYSA-N 1 1 197.665 2.347 10 0 AEAEMO C/C=C/C[N@@H+](C)CC[C@@H]1CCCO1 308181417 572901906 /nfs/dbraw/zinc/90/19/06/572901906.db2.gz HKVFWFXRAVFYGH-UFFNRZRYSA-N 1 1 183.295 2.063 10 0 AEAEMO C/C=C\C[N@@H+](C)CC[C@H]1CCCO1 308181412 572902083 /nfs/dbraw/zinc/90/20/83/572902083.db2.gz HKVFWFXRAVFYGH-DLRQAJBASA-N 1 1 183.295 2.063 10 0 AEAEMO C/C=C/C[N@@H+](C)CC[C@H]1CCCO1 308181414 572902433 /nfs/dbraw/zinc/90/24/33/572902433.db2.gz HKVFWFXRAVFYGH-PGLGOXFNSA-N 1 1 183.295 2.063 10 0 AEAEMO CC(C)c1[nH+]ccn1C1CC1 75838984 572902473 /nfs/dbraw/zinc/90/24/73/572902473.db2.gz LXBZSWKSHNBWSP-UHFFFAOYSA-N 1 1 150.225 2.341 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1CC(=O)C(C)C 86276370 572902531 /nfs/dbraw/zinc/90/25/31/572902531.db2.gz OTASDOKOMWINHV-SNVBAGLBSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)c1[nH+]c2c(n1C)CCCC2 75839101 572902590 /nfs/dbraw/zinc/90/25/90/572902590.db2.gz IETVSVPVDUQZSQ-UHFFFAOYSA-N 1 1 178.279 2.422 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)CC(=O)C(C)C 86276331 572902664 /nfs/dbraw/zinc/90/26/64/572902664.db2.gz NOGKSWBNZKBRTK-JTQLQIEISA-N 1 1 185.311 2.332 10 0 AEAEMO CCC[N@H+](CC(=O)C(C)C)CC1CC1 86276396 572902684 /nfs/dbraw/zinc/90/26/84/572902684.db2.gz LYYNHBDPKBSQDG-UHFFFAOYSA-N 1 1 197.322 2.334 10 0 AEAEMO CCCC[N@@H+](CC(=O)C(C)C)C1CC1 86276399 572902759 /nfs/dbraw/zinc/90/27/59/572902759.db2.gz KIISKKKMBWCDPY-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(C)C(=O)C[N@@H+](C)C1CCCCC1 86276307 572902844 /nfs/dbraw/zinc/90/28/44/572902844.db2.gz PNEDKJAVCLYVET-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)CC(=O)C(C)C 86276333 572903074 /nfs/dbraw/zinc/90/30/74/572903074.db2.gz VTZCMGAIHGMXML-SNVBAGLBSA-N 1 1 185.311 2.189 10 0 AEAEMO CC(C)C(=O)C[N@H+](CC1CC1)C(C)C 86276431 572903137 /nfs/dbraw/zinc/90/31/37/572903137.db2.gz CSNYZOOJYBRQTJ-UHFFFAOYSA-N 1 1 197.322 2.332 10 0 AEAEMO CC(C)C(=O)C[N@H+](C)[C@@H](C)C(C)C 86276346 572903160 /nfs/dbraw/zinc/90/31/60/572903160.db2.gz QICKYYWPNMPIPR-JTQLQIEISA-N 1 1 185.311 2.188 10 0 AEAEMO CC(C)CC[N@@H+](C)CC(=O)C(C)C 86276384 572903295 /nfs/dbraw/zinc/90/32/95/572903295.db2.gz GIBPMGHMHIACAA-UHFFFAOYSA-N 1 1 185.311 2.189 10 0 AEAEMO CC[C@H]1CCC[N@H+]1CC(=O)C(C)C 86276371 572903402 /nfs/dbraw/zinc/90/34/02/572903402.db2.gz OTASDOKOMWINHV-JTQLQIEISA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)SCc1ncc([C@H](C)[NH3+])[nH]1 308181513 572903605 /nfs/dbraw/zinc/90/36/05/572903605.db2.gz HNHSIZKUFLNJCE-ZETCQYMHSA-N 1 1 199.323 2.071 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1CC(=O)C(C)C 86276319 572903962 /nfs/dbraw/zinc/90/39/62/572903962.db2.gz NZPPGZXQGPHHSV-LLVKDONJSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC[N@@H+](CC(=O)C(C)C)C(C)C 86276323 572904059 /nfs/dbraw/zinc/90/40/59/572904059.db2.gz SCKACRLBIZGCPK-UHFFFAOYSA-N 1 1 185.311 2.332 10 0 AEAEMO CC(C)C[N@@H+](CC(=O)C(C)C)C1CC1 86276425 572904221 /nfs/dbraw/zinc/90/42/21/572904221.db2.gz QJBSGSCCPPGZGA-UHFFFAOYSA-N 1 1 197.322 2.332 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1CC(=O)C(C)C 86276320 572904674 /nfs/dbraw/zinc/90/46/74/572904674.db2.gz NZPPGZXQGPHHSV-NSHDSACASA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)CC(=O)C(C)C 86276334 572905131 /nfs/dbraw/zinc/90/51/31/572905131.db2.gz VTZCMGAIHGMXML-JTQLQIEISA-N 1 1 185.311 2.189 10 0 AEAEMO CC[N@@H+](CC(=O)C(C)C)C1CCCC1 86276336 572904901 /nfs/dbraw/zinc/90/49/01/572904901.db2.gz MTBUREPFIKQYHS-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CCCC[N@@H+](CC)CC(=O)C(C)C 86276276 572904916 /nfs/dbraw/zinc/90/49/16/572904916.db2.gz KPJWDGIDDYTYNJ-UHFFFAOYSA-N 1 1 185.311 2.334 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)CC(=O)C(C)C 86276348 572905187 /nfs/dbraw/zinc/90/51/87/572905187.db2.gz FQMWDBFTRVUHKX-SNVBAGLBSA-N 1 1 185.311 2.332 10 0 AEAEMO CC[C@H]1CCC[N@@H+](CC(=O)C(C)C)C1 86276352 572905212 /nfs/dbraw/zinc/90/52/12/572905212.db2.gz UGYCPWLEQUTAPM-NSHDSACASA-N 1 1 197.322 2.334 10 0 AEAEMO CCC[N@@H+](CC(=O)C(C)C)C1CC1 86276324 572905219 /nfs/dbraw/zinc/90/52/19/572905219.db2.gz WBHXJTSDTXXYRF-UHFFFAOYSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)OCn1cc[nH+]c1C(C)C 308178985 572905374 /nfs/dbraw/zinc/90/53/74/572905374.db2.gz BRMJDPNFESAZPT-UHFFFAOYSA-N 1 1 182.267 2.389 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)CC(=O)C(C)C 86276330 572905431 /nfs/dbraw/zinc/90/54/31/572905431.db2.gz NOGKSWBNZKBRTK-SNVBAGLBSA-N 1 1 185.311 2.332 10 0 AEAEMO CC(C)SCc1ncc([C@@H](C)[NH3+])[nH]1 308181511 572905463 /nfs/dbraw/zinc/90/54/63/572905463.db2.gz HNHSIZKUFLNJCE-SSDOTTSWSA-N 1 1 199.323 2.071 10 0 AEAEMO CC[N@H+](CC(=O)C(C)C)CC(C)C 86276329 572905548 /nfs/dbraw/zinc/90/55/48/572905548.db2.gz HFNXSQGJNJWGJM-UHFFFAOYSA-N 1 1 185.311 2.189 10 0 AEAEMO CC[C@@H]1CCC[N@@H+](CC(=O)C(C)C)C1 86276351 572905562 /nfs/dbraw/zinc/90/55/62/572905562.db2.gz UGYCPWLEQUTAPM-LLVKDONJSA-N 1 1 197.322 2.334 10 0 AEAEMO CCC(CC)[N@@H+](C)CC(=O)C(C)C 86276347 572905645 /nfs/dbraw/zinc/90/56/45/572905645.db2.gz JEEJCVIYWVCATG-UHFFFAOYSA-N 1 1 185.311 2.332 10 0 AEAEMO CCCCC[N@@H+](C)CC(=O)C(C)C 86276332 572905671 /nfs/dbraw/zinc/90/56/71/572905671.db2.gz CUXQCHWPCZFKHK-UHFFFAOYSA-N 1 1 185.311 2.334 10 0 AEAEMO CC(C)C(=O)C[N@@H+](C)C1CCCC1 86276321 572905739 /nfs/dbraw/zinc/90/57/39/572905739.db2.gz REHPYSCNLZLGFQ-UHFFFAOYSA-N 1 1 183.295 2.086 10 0 AEAEMO Cc1ccc(C(C)C)c(O)c1C(N)=[NH2+] 75848021 572905876 /nfs/dbraw/zinc/90/58/76/572905876.db2.gz ZLPPOKJSHDOULW-UHFFFAOYSA-N 1 1 192.262 2.108 10 0 AEAEMO CC(C)CCc1ncc([C@H](C)[NH3+])[nH]1 308180391 572905922 /nfs/dbraw/zinc/90/59/22/572905922.db2.gz GYAIFWCWPHJHEE-QMMMGPOBSA-N 1 1 181.283 2.018 10 0 AEAEMO CC(C)C(=O)C[N@@H+](CC1CC1)C1CC1 86276724 572906180 /nfs/dbraw/zinc/90/61/80/572906180.db2.gz AQOKLYRZKQGSLJ-UHFFFAOYSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@@H]1CCC[N@@H+]([C@@H]2CCCC2=O)[C@@H]1C 50565949 572906356 /nfs/dbraw/zinc/90/63/56/572906356.db2.gz YNDGSYFMSIWREO-GMTAPVOTSA-N 1 1 195.306 2.228 10 0 AEAEMO CC(C)[C@@H](N)C[N@H+]1CCC[C@@H](C)[C@H]1C 50566861 572906368 /nfs/dbraw/zinc/90/63/68/572906368.db2.gz PAUJRLICWMPYMH-UTUOFQBUSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@@H]([NH3+])CN1CCC[C@@H](C)[C@H]1C 50566861 572906371 /nfs/dbraw/zinc/90/63/71/572906371.db2.gz PAUJRLICWMPYMH-UTUOFQBUSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@H]2O)[C@@H]1C 50566237 572906662 /nfs/dbraw/zinc/90/66/62/572906662.db2.gz ABDVZNSQWUMXFC-KKOKHZNYSA-N 1 1 197.322 2.020 10 0 AEAEMO [NH3+]Cc1nc2c(ccc3ccccc32)o1 75844958 572906709 /nfs/dbraw/zinc/90/67/09/572906709.db2.gz FWGFWUGVDLVKMM-UHFFFAOYSA-N 1 1 198.225 2.440 10 0 AEAEMO CC(C)[C@H](CN)[N@H+]1CCC[C@H](C)[C@H]1C 50563915 572906790 /nfs/dbraw/zinc/90/67/90/572906790.db2.gz SRSWUYQUKUEKLL-TUAOUCFPSA-N 1 1 198.354 2.090 10 0 AEAEMO CN[C@H](C)[C@H](C)[N@@H+]1CCC[C@H](C)[C@H]1C 50564577 572906998 /nfs/dbraw/zinc/90/69/98/572906998.db2.gz CJTLBDFBBJCOCB-QCNOEVLYSA-N 1 1 198.354 2.103 10 0 AEAEMO CN[C@H](C)[C@H](C)[N@H+]1CCC[C@H](C)[C@H]1C 50564577 572907000 /nfs/dbraw/zinc/90/70/00/572907000.db2.gz CJTLBDFBBJCOCB-QCNOEVLYSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@H+]1CCC[C@H](C)[C@@H]1C 50566950 572907138 /nfs/dbraw/zinc/90/71/38/572907138.db2.gz PXBFTHKSFQXPPV-BJDJZHNGSA-N 1 1 199.338 2.266 10 0 AEAEMO CC(C)C(=O)C[N@@H+](C)CC1CCCC1 86276692 572907325 /nfs/dbraw/zinc/90/73/25/572907325.db2.gz LZAMSHZDDFRMDU-UHFFFAOYSA-N 1 1 197.322 2.334 10 0 AEAEMO CC(C)CCc1ncc([C@@H](C)[NH3+])[nH]1 308180389 572907744 /nfs/dbraw/zinc/90/77/44/572907744.db2.gz GYAIFWCWPHJHEE-MRVPVSSYSA-N 1 1 181.283 2.018 10 0 AEAEMO CC(C)C(=O)C[N@@H+]1CCC[C@@H]1C(C)C 86276743 572907898 /nfs/dbraw/zinc/90/78/98/572907898.db2.gz YBTCVOVRXGRPEZ-LLVKDONJSA-N 1 1 197.322 2.332 10 0 AEAEMO CC(C)[C@@H](N)C[N@H+]1CCC[C@H](C)[C@H]1C 50566862 572907936 /nfs/dbraw/zinc/90/79/36/572907936.db2.gz PAUJRLICWMPYMH-TUAOUCFPSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@@H]([NH3+])CN1CCC[C@H](C)[C@H]1C 50566862 572907938 /nfs/dbraw/zinc/90/79/38/572907938.db2.gz PAUJRLICWMPYMH-TUAOUCFPSA-N 1 1 198.354 2.090 10 0 AEAEMO CN[C@H](C)[C@H](C)[N@@H+]1CCC[C@@H](C)[C@H]1C 50564576 572907946 /nfs/dbraw/zinc/90/79/46/572907946.db2.gz CJTLBDFBBJCOCB-KKOKHZNYSA-N 1 1 198.354 2.103 10 0 AEAEMO CN[C@H](C)[C@H](C)[N@H+]1CCC[C@@H](C)[C@H]1C 50564576 572907948 /nfs/dbraw/zinc/90/79/48/572907948.db2.gz CJTLBDFBBJCOCB-KKOKHZNYSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H](N)[C@H](C)[N@H+]1CCC[C@H](C)[C@@H]1C 50564356 572908168 /nfs/dbraw/zinc/90/81/68/572908168.db2.gz LAOGYPVZMIUAEZ-BJDJZHNGSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C(=O)C[N@@H+]1CCC[C@H]1C(C)C 86276742 572908348 /nfs/dbraw/zinc/90/83/48/572908348.db2.gz YBTCVOVRXGRPEZ-NSHDSACASA-N 1 1 197.322 2.332 10 0 AEAEMO CCC(C)(C)[N@@H+](C)CC(=O)C(C)C 86276706 572908393 /nfs/dbraw/zinc/90/83/93/572908393.db2.gz XZLBZSSGGAZVNC-UHFFFAOYSA-N 1 1 185.311 2.332 10 0 AEAEMO CC(C)[C@H](CN)[N@H+]1CCC[C@@H](C)[C@H]1C 50563914 572908428 /nfs/dbraw/zinc/90/84/28/572908428.db2.gz SRSWUYQUKUEKLL-UTUOFQBUSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)SCCc1ccc[nH+]c1N 308185051 572908773 /nfs/dbraw/zinc/90/87/73/572908773.db2.gz JDPFLKJAJSXSFZ-UHFFFAOYSA-N 1 1 196.319 2.348 10 0 AEAEMO CCCCC[N@H+]1CCC(=O)[C@H](C)[C@@H]1C 86302999 572908787 /nfs/dbraw/zinc/90/87/87/572908787.db2.gz ZZCLARHIMNDZKI-MNOVXSKESA-N 1 1 197.322 2.476 10 0 AEAEMO CCCCC[N@H+]1CCC(=O)[C@@H](C)[C@@H]1C 86303000 572909901 /nfs/dbraw/zinc/90/99/01/572909901.db2.gz ZZCLARHIMNDZKI-QWRGUYRKSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC[N@@H+](CC(C)C)[C@@H](C)CC[NH3+] 308185571 572912027 /nfs/dbraw/zinc/91/20/27/572912027.db2.gz FINCEXARKNFKOI-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CCCCc1noc([C@H]([NH3+])CCC)n1 86314657 572912073 /nfs/dbraw/zinc/91/20/73/572912073.db2.gz BEYNZYVENYWAJJ-MRVPVSSYSA-N 1 1 197.282 2.212 10 0 AEAEMO CCCCc1noc([C@H](CC)[NH2+]C)n1 86314723 572912217 /nfs/dbraw/zinc/91/22/17/572912217.db2.gz WKECDSQGYTVBAV-QMMMGPOBSA-N 1 1 197.282 2.083 10 0 AEAEMO CCC[N@@H+](CC(C)C)[C@H](C)CC[NH3+] 308185570 572912442 /nfs/dbraw/zinc/91/24/42/572912442.db2.gz FINCEXARKNFKOI-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCCCc1noc([C@@H](CC)[NH2+]C)n1 86314722 572913964 /nfs/dbraw/zinc/91/39/64/572913964.db2.gz WKECDSQGYTVBAV-MRVPVSSYSA-N 1 1 197.282 2.083 10 0 AEAEMO CC(C)C[NH2+][C@H]1C[C@H](C)N(C)[C@H](C)C1 257629289 572913715 /nfs/dbraw/zinc/91/37/15/572913715.db2.gz HNCZTEVWRRCIMB-ZSBIGDGJSA-N 1 1 198.354 2.103 10 0 AEAEMO CCCCc1noc([C@@H]([NH3+])C(C)C)n1 86314628 572913790 /nfs/dbraw/zinc/91/37/90/572913790.db2.gz CJGYWQAENYMAHB-VIFPVBQESA-N 1 1 197.282 2.068 10 0 AEAEMO CCCCc1noc([C@H]([NH3+])C(C)C)n1 86314627 572914796 /nfs/dbraw/zinc/91/47/96/572914796.db2.gz CJGYWQAENYMAHB-SECBINFHSA-N 1 1 197.282 2.068 10 0 AEAEMO CCC(=O)CC[N@H+]1CCCC1(C)C 308185819 572914597 /nfs/dbraw/zinc/91/45/97/572914597.db2.gz JPYPAEIJMFDTEZ-UHFFFAOYSA-N 1 1 183.295 2.230 10 0 AEAEMO CCCC[C@H]1CN[C@H](CCCC)C[NH2+]1 116673509 572915670 /nfs/dbraw/zinc/91/56/70/572915670.db2.gz ORCXDCBGXCHCFW-TXEJJXNPSA-N 1 1 198.354 2.297 10 0 AEAEMO FCCCC[N@@H+]1CCC[C@@H]1C(F)F 308188502 572915851 /nfs/dbraw/zinc/91/58/51/572915851.db2.gz LLCUYAKTGRGIHA-MRVPVSSYSA-N 1 1 195.228 2.466 10 0 AEAEMO FCCCC[N@H+]1CCC[C@@H]1C(F)F 308188502 572915853 /nfs/dbraw/zinc/91/58/53/572915853.db2.gz LLCUYAKTGRGIHA-MRVPVSSYSA-N 1 1 195.228 2.466 10 0 AEAEMO CCCCc1nc([C@H](C)[NH2+]C)c[nH]1 308189264 572917424 /nfs/dbraw/zinc/91/74/24/572917424.db2.gz MJBNPOSZBPXQDX-QMMMGPOBSA-N 1 1 181.283 2.033 10 0 AEAEMO Cc1n[nH]c(C)c1[C@@H]1CCCC[N@@H+]1C 75906696 572917480 /nfs/dbraw/zinc/91/74/80/572917480.db2.gz GOUSMDFSLUWKML-JTQLQIEISA-N 1 1 193.294 2.183 10 0 AEAEMO CC(C)[N@@H+]1CCC(=O)[C@@H]1[C@]1(C)C[C@@H]1C 714605242 572917911 /nfs/dbraw/zinc/91/79/11/572917911.db2.gz XOIIWCORLNCTIM-MVWJERBFSA-N 1 1 195.306 2.084 10 0 AEAEMO CC(C)[N@H+]1CCC(=O)[C@@H]1[C@]1(C)C[C@@H]1C 714605242 572917914 /nfs/dbraw/zinc/91/79/14/572917914.db2.gz XOIIWCORLNCTIM-MVWJERBFSA-N 1 1 195.306 2.084 10 0 AEAEMO CCC[N@@H+]1CCC(=O)[C@@H]1[C@]1(C)C[C@@H]1C 714604189 572917984 /nfs/dbraw/zinc/91/79/84/572917984.db2.gz UADHCLAUIHDFHJ-MVWJERBFSA-N 1 1 195.306 2.086 10 0 AEAEMO CCC[N@H+]1CCC(=O)[C@@H]1[C@]1(C)C[C@@H]1C 714604189 572917987 /nfs/dbraw/zinc/91/79/87/572917987.db2.gz UADHCLAUIHDFHJ-MVWJERBFSA-N 1 1 195.306 2.086 10 0 AEAEMO CCC[N@@H+]1CCC(=O)[C@@H]1[C@@]1(C)C[C@H]1C 714604188 572918387 /nfs/dbraw/zinc/91/83/87/572918387.db2.gz UADHCLAUIHDFHJ-JLLWLGSASA-N 1 1 195.306 2.086 10 0 AEAEMO CCC[N@H+]1CCC(=O)[C@@H]1[C@@]1(C)C[C@H]1C 714604188 572918391 /nfs/dbraw/zinc/91/83/91/572918391.db2.gz UADHCLAUIHDFHJ-JLLWLGSASA-N 1 1 195.306 2.086 10 0 AEAEMO CCCCc1nc(N)cc(CCC)[nH+]1 86323511 572918513 /nfs/dbraw/zinc/91/85/13/572918513.db2.gz GRIPYPIFXTTZJX-UHFFFAOYSA-N 1 1 193.294 2.354 10 0 AEAEMO CC(C)[N@@H+]1CCC(=O)[C@@H]1[C@@]1(C)C[C@@H]1C 714605246 572918533 /nfs/dbraw/zinc/91/85/33/572918533.db2.gz XOIIWCORLNCTIM-WCQGTBRESA-N 1 1 195.306 2.084 10 0 AEAEMO CC(C)[N@H+]1CCC(=O)[C@@H]1[C@@]1(C)C[C@@H]1C 714605246 572918537 /nfs/dbraw/zinc/91/85/37/572918537.db2.gz XOIIWCORLNCTIM-WCQGTBRESA-N 1 1 195.306 2.084 10 0 AEAEMO CCC[N@@H+]1CCC(=O)[C@@H]1[C@]1(C)C[C@H]1C 714604191 572918970 /nfs/dbraw/zinc/91/89/70/572918970.db2.gz UADHCLAUIHDFHJ-YUSALJHKSA-N 1 1 195.306 2.086 10 0 AEAEMO CCC[N@H+]1CCC(=O)[C@@H]1[C@]1(C)C[C@H]1C 714604191 572918972 /nfs/dbraw/zinc/91/89/72/572918972.db2.gz UADHCLAUIHDFHJ-YUSALJHKSA-N 1 1 195.306 2.086 10 0 AEAEMO CC(C)[N@@H+]1CCC(=O)[C@@H]1[C@@]1(C)C[C@H]1C 714605237 572919854 /nfs/dbraw/zinc/91/98/54/572919854.db2.gz XOIIWCORLNCTIM-JLLWLGSASA-N 1 1 195.306 2.084 10 0 AEAEMO CC(C)[N@H+]1CCC(=O)[C@@H]1[C@@]1(C)C[C@H]1C 714605237 572919857 /nfs/dbraw/zinc/91/98/57/572919857.db2.gz XOIIWCORLNCTIM-JLLWLGSASA-N 1 1 195.306 2.084 10 0 AEAEMO CCC[N@@H+]1CCC(=O)[C@@H]1[C@@]1(C)C[C@@H]1C 714604190 572919933 /nfs/dbraw/zinc/91/99/33/572919933.db2.gz UADHCLAUIHDFHJ-WCQGTBRESA-N 1 1 195.306 2.086 10 0 AEAEMO CCC[N@H+]1CCC(=O)[C@@H]1[C@@]1(C)C[C@@H]1C 714604190 572919937 /nfs/dbraw/zinc/91/99/37/572919937.db2.gz UADHCLAUIHDFHJ-WCQGTBRESA-N 1 1 195.306 2.086 10 0 AEAEMO C/C=C/c1nnc([C@H]([NH3+])CC(C)C)o1 238068588 572920098 /nfs/dbraw/zinc/92/00/98/572920098.db2.gz CHYSNLRUPSSDJU-WTSVBCDHSA-N 1 1 195.266 2.149 10 0 AEAEMO Cc1csc([C@@H]2CCC[N@H+](C)C2)n1 72381224 572920606 /nfs/dbraw/zinc/92/06/06/572920606.db2.gz PKNCXYRVSCYZGU-SECBINFHSA-N 1 1 196.319 2.261 10 0 AEAEMO Cc1csc([C@H]2CCC[N@H+](C)C2)n1 72381225 572921657 /nfs/dbraw/zinc/92/16/57/572921657.db2.gz PKNCXYRVSCYZGU-VIFPVBQESA-N 1 1 196.319 2.261 10 0 AEAEMO CC(C)[N@@H+]1CCC(=O)[C@@H]1[C@]1(C)C[C@H]1C 714605250 572922396 /nfs/dbraw/zinc/92/23/96/572922396.db2.gz XOIIWCORLNCTIM-YUSALJHKSA-N 1 1 195.306 2.084 10 0 AEAEMO CC(C)[N@H+]1CCC(=O)[C@@H]1[C@]1(C)C[C@H]1C 714605250 572922400 /nfs/dbraw/zinc/92/24/00/572922400.db2.gz XOIIWCORLNCTIM-YUSALJHKSA-N 1 1 195.306 2.084 10 0 AEAEMO CCOCC[N@H+](C1CC1)[C@@H](C)CC 308193083 572922611 /nfs/dbraw/zinc/92/26/11/572922611.db2.gz PSSJRTRELMJARO-JTQLQIEISA-N 1 1 185.311 2.286 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCC[C@H]1CCO 308194511 572923492 /nfs/dbraw/zinc/92/34/92/572923492.db2.gz LPMJWZYTJAFQDC-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCC[C@@H]1CCO 308194509 572924385 /nfs/dbraw/zinc/92/43/85/572924385.db2.gz LPMJWZYTJAFQDC-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO CC[N@@H+](CC(C)(C)C)[C@@H](C)[C@H](C)N 308195085 572925842 /nfs/dbraw/zinc/92/58/42/572925842.db2.gz MCJQEZAEIJFDKN-UWVGGRQHSA-N 1 1 186.343 2.090 10 0 AEAEMO Cc1sccc1[C@H](C[NH3+])NC(C)C 308191616 572926297 /nfs/dbraw/zinc/92/62/97/572926297.db2.gz JZJWYIKQMAIAGT-JTQLQIEISA-N 1 1 198.335 2.054 10 0 AEAEMO CC[N@@H+](CC(C)(C)C)[C@H](C)[C@@H](C)N 308195084 572926465 /nfs/dbraw/zinc/92/64/65/572926465.db2.gz MCJQEZAEIJFDKN-NXEZZACHSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[N@@H+](CC(C)(C)C)[C@@H](C)[C@@H](C)N 308195087 572926521 /nfs/dbraw/zinc/92/65/21/572926521.db2.gz MCJQEZAEIJFDKN-ZJUUUORDSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C)N1CCC[C@@H]1C[NH2+]C(C)C 86386652 572926823 /nfs/dbraw/zinc/92/68/23/572926823.db2.gz HXVPNNYPDMEUHU-NWDGAFQWSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H](C)[N@@H+]1CCC[C@@H]1CNC1CC1 86386656 572926899 /nfs/dbraw/zinc/92/68/99/572926899.db2.gz CMKPGUPCULNJII-ZYHUDNBSSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCC[C@@H]1CNC1CC1 86386656 572926901 /nfs/dbraw/zinc/92/69/01/572926901.db2.gz CMKPGUPCULNJII-ZYHUDNBSSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@H](C)N1CCC[C@@H]1C[NH2+]C(C)C 86386651 572927649 /nfs/dbraw/zinc/92/76/49/572927649.db2.gz HXVPNNYPDMEUHU-VXGBXAGGSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[NH2+]C[C@H]1CCCN1[C@@H](C)CC 86386650 572927999 /nfs/dbraw/zinc/92/79/99/572927999.db2.gz FFYPHTDCHCLCAG-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](C)[C@H]([NH3+])C1(N(C)C)CCCC1 86392770 572929136 /nfs/dbraw/zinc/92/91/36/572929136.db2.gz UJOJQJZJMKULJV-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@@H](C)[N@@H+](C)[C@@H](C)C(C)=O 308202231 572928187 /nfs/dbraw/zinc/92/81/87/572928187.db2.gz QNTAYZCMYOLBDP-ZJUUUORDSA-N 1 1 185.311 2.474 10 0 AEAEMO CC[C@H](C)[C@@H]([NH3+])[C@@](C)(CC)N(C)C 86392663 572928300 /nfs/dbraw/zinc/92/83/00/572928300.db2.gz IZBWYUYTSURNPN-HBNTYKKESA-N 1 1 186.343 2.090 10 0 AEAEMO CCCNC[C@@H](C)[NH2+]C[C@H](C)C1CC1 162293253 572928678 /nfs/dbraw/zinc/92/86/78/572928678.db2.gz QJXDOPXFZXXPIG-WDEREUQCSA-N 1 1 198.354 2.010 10 0 AEAEMO CC[C@H](C)[C@@H]([NH3+])C1(N(C)C)CCCC1 86392774 572928407 /nfs/dbraw/zinc/92/84/07/572928407.db2.gz UJOJQJZJMKULJV-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)[C@H]([NH3+])[C@@](C)(CC)N(C)C 86392660 572928516 /nfs/dbraw/zinc/92/85/16/572928516.db2.gz IZBWYUYTSURNPN-GARJFASQSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[NH2+]C[C@@H](C)NC[C@H](C)C1CC1 162293253 572928681 /nfs/dbraw/zinc/92/86/81/572928681.db2.gz QJXDOPXFZXXPIG-WDEREUQCSA-N 1 1 198.354 2.010 10 0 AEAEMO CCOCCC[N@@H+](C)[C@H]1CC1(C)C 308201467 572928708 /nfs/dbraw/zinc/92/87/08/572928708.db2.gz YOTLEWNLDLCQRG-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@H](C)[C@@H](N)C(C)(C)[NH+]1CCCC1 86392602 572928923 /nfs/dbraw/zinc/92/89/23/572928923.db2.gz IKSSEWAIUQXNPB-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)[C@H](N)C(C)(C)[NH+]1CCCC1 86392599 572929102 /nfs/dbraw/zinc/92/91/02/572929102.db2.gz IKSSEWAIUQXNPB-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)[C@@H](N)C(C)(C)[NH+]1CCCC1 86392601 572929300 /nfs/dbraw/zinc/92/93/00/572929300.db2.gz IKSSEWAIUQXNPB-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@H](C)[N@@H+](C)[C@@H](C)C(C)=O 308202221 572929319 /nfs/dbraw/zinc/92/93/19/572929319.db2.gz QNTAYZCMYOLBDP-UWVGGRQHSA-N 1 1 185.311 2.474 10 0 AEAEMO CCC(C)(C)[N@@H+](C)CCC1(O)CC1 308202207 572929343 /nfs/dbraw/zinc/92/93/43/572929343.db2.gz WAAZKTSTFRIIBM-UHFFFAOYSA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@@H](C)[C@H](N)C(C)(C)[NH+]1CCCC1 86392597 572929379 /nfs/dbraw/zinc/92/93/79/572929379.db2.gz IKSSEWAIUQXNPB-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)[C@@H]([NH3+])C1(N(C)C)CCCC1 86392772 572929685 /nfs/dbraw/zinc/92/96/85/572929685.db2.gz UJOJQJZJMKULJV-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)[C@H]([NH3+])C1(N(C)C)CCCC1 86392771 572929718 /nfs/dbraw/zinc/92/97/18/572929718.db2.gz UJOJQJZJMKULJV-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H]1CN[C@H](C)C[N@H+]1[C@@H](C)CC 86394478 572931448 /nfs/dbraw/zinc/93/14/48/572931448.db2.gz RLNNWDYEJVUEDT-GRYCIOLGSA-N 1 1 198.354 2.247 10 0 AEAEMO CCOCC[N@@H+](CC)C[C@H](F)CC 308202865 572931614 /nfs/dbraw/zinc/93/16/14/572931614.db2.gz AKNPOFYBLCRGKS-SNVBAGLBSA-N 1 1 191.290 2.093 10 0 AEAEMO C[N@@H+](CCCF)Cc1ccccc1N 88025683 572932606 /nfs/dbraw/zinc/93/26/06/572932606.db2.gz ANCASDXHRVENQC-UHFFFAOYSA-N 1 1 196.269 2.060 10 0 AEAEMO CCC[C@@H]1CN[C@@H](C)C[N@H+]1[C@@H](C)CC 86394483 572932636 /nfs/dbraw/zinc/93/26/36/572932636.db2.gz RLNNWDYEJVUEDT-SDDRHHMPSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](C)[C@H]1CNCC[N@H+]1[C@@H](C)CC 86394472 572932713 /nfs/dbraw/zinc/93/27/13/572932713.db2.gz NHQDPIFDSQTIMF-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[N@H+]1CCNCC1(CC)CC 86394454 572932784 /nfs/dbraw/zinc/93/27/84/572932784.db2.gz JJELKFWCBTYEBA-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C)[C@@H]1CNCC[N@H+]1[C@@H](C)CC 86394466 572932936 /nfs/dbraw/zinc/93/29/36/572932936.db2.gz NHQDPIFDSQTIMF-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](CC)[NH2+]CC(C)(C)NC 308205337 572934113 /nfs/dbraw/zinc/93/41/13/572934113.db2.gz SIRNUVNSCUBTRY-JTQLQIEISA-N 1 1 186.343 2.153 10 0 AEAEMO C[N@H+]1C[C@H]2C[C@@]2(c2ccc(F)cc2)C1 255971015 572935803 /nfs/dbraw/zinc/93/58/03/572935803.db2.gz FCEZVCFFFLLXSG-PWSUYJOCSA-N 1 1 191.249 2.029 10 0 AEAEMO CC[C@H](C)C[N@@H+](CC)[C@@H]1CCC[C@@H]1N 86437370 572936599 /nfs/dbraw/zinc/93/65/99/572936599.db2.gz XQALMSZXUHHDGL-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO C=C/C=C\CC[N@H+]1CCC(=O)[C@@H](C)C1 713642645 572936650 /nfs/dbraw/zinc/93/66/50/572936650.db2.gz FFMCYJPTQFLXNV-WYGGZMRJSA-N 1 1 193.290 2.030 10 0 AEAEMO CC[C@@H](C)C[N@@H+](CC)C[C@H](N)C1CC1 86437458 572936795 /nfs/dbraw/zinc/93/67/95/572936795.db2.gz BBTHKMGHJZTSQA-PWSUYJOCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](C)CN(CC)C[C@H]([NH3+])C1CC1 86437458 572936797 /nfs/dbraw/zinc/93/67/97/572936797.db2.gz BBTHKMGHJZTSQA-PWSUYJOCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](C)C[N@@H+](CC)C[C@H](N)CC 86437350 572936956 /nfs/dbraw/zinc/93/69/56/572936956.db2.gz ROBIJOYOJQDCSG-GHMZBOCLSA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@@H](C)CN(CC)C[C@H]([NH3+])CC 86437350 572936959 /nfs/dbraw/zinc/93/69/59/572936959.db2.gz ROBIJOYOJQDCSG-GHMZBOCLSA-N 1 1 186.343 2.092 10 0 AEAEMO C=C/C=C/CC[N@H+]1CCC(=O)[C@@H](C)C1 713642649 572937230 /nfs/dbraw/zinc/93/72/30/572937230.db2.gz FFMCYJPTQFLXNV-ZWNMCFTASA-N 1 1 193.290 2.030 10 0 AEAEMO CC[C@@H](C)C[N@@H+](CC)[C@@H](CN)C1CC1 86437114 572937296 /nfs/dbraw/zinc/93/72/96/572937296.db2.gz JTSCXRRBWMGUKP-PWSUYJOCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](CN)[N@H+](CC)C[C@H](C)CC 86437075 572937369 /nfs/dbraw/zinc/93/73/69/572937369.db2.gz OAFBZLUMPCVZCV-MNOVXSKESA-N 1 1 186.343 2.092 10 0 AEAEMO CCCCCC[NH2+]CC(C)(C)NC 308195910 572937500 /nfs/dbraw/zinc/93/75/00/572937500.db2.gz MNERPDRKESTBMS-UHFFFAOYSA-N 1 1 186.343 2.154 10 0 AEAEMO CC(C)(C)N[C@H](C[NH3+])c1ccccc1 238112047 572937580 /nfs/dbraw/zinc/93/75/80/572937580.db2.gz OAVPBCSAYJNAOS-LLVKDONJSA-N 1 1 192.306 2.075 10 0 AEAEMO CC[C@H](C)C[N@@H+](CC)C[C@H](N)CC 86437351 572937673 /nfs/dbraw/zinc/93/76/73/572937673.db2.gz ROBIJOYOJQDCSG-WDEREUQCSA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@H](C)CN(CC)C[C@H]([NH3+])CC 86437351 572937675 /nfs/dbraw/zinc/93/76/75/572937675.db2.gz ROBIJOYOJQDCSG-WDEREUQCSA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@H](C)C[N@@H+](CC)C[C@H](N)C1CC1 86437460 572937999 /nfs/dbraw/zinc/93/79/99/572937999.db2.gz BBTHKMGHJZTSQA-JQWIXIFHSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)CN(CC)C[C@H]([NH3+])C1CC1 86437460 572938003 /nfs/dbraw/zinc/93/80/03/572938003.db2.gz BBTHKMGHJZTSQA-JQWIXIFHSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](C)C[N@H+](CC)CCNC1CC1 86437451 572938184 /nfs/dbraw/zinc/93/81/84/572938184.db2.gz OPZRQNZVOYMYHX-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](C)C[N@@H+](CC)CCNC1CC1 86437451 572938186 /nfs/dbraw/zinc/93/81/86/572938186.db2.gz OPZRQNZVOYMYHX-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)C[N@@H+](CC)[C@@H](CN)C1CC1 86437115 572938199 /nfs/dbraw/zinc/93/81/99/572938199.db2.gz JTSCXRRBWMGUKP-JQWIXIFHSA-N 1 1 198.354 2.092 10 0 AEAEMO C=C/C=C\CC[N@H+]1CCC(=O)[C@H](C)C1 713642641 572938337 /nfs/dbraw/zinc/93/83/37/572938337.db2.gz FFMCYJPTQFLXNV-DOGVGXBMSA-N 1 1 193.290 2.030 10 0 AEAEMO CC[C@H](C)C[N@H+](CC)CCNC1CC1 86437453 572938420 /nfs/dbraw/zinc/93/84/20/572938420.db2.gz OPZRQNZVOYMYHX-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)C[N@@H+](CC)CCNC1CC1 86437453 572938423 /nfs/dbraw/zinc/93/84/23/572938423.db2.gz OPZRQNZVOYMYHX-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)C[N@@H+](CC)[C@@H](C)[C@@H](C)N 86437493 572939864 /nfs/dbraw/zinc/93/98/64/572939864.db2.gz VBCOQVBQTXOPCV-AXFHLTTASA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C)C[N@@H+](CC)CCC(C)=O 86438083 572938974 /nfs/dbraw/zinc/93/89/74/572938974.db2.gz BLHWDUNTWHLGQG-JTQLQIEISA-N 1 1 185.311 2.334 10 0 AEAEMO CC(=O)CC[N@H+]1C[C@H]2CCCCC[C@H]21 687935459 572940129 /nfs/dbraw/zinc/94/01/29/572940129.db2.gz PYGLKKXKVGNDIC-VXGBXAGGSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC(=O)C[N@H+](CC)C[C@H](C)CC 86438026 572939130 /nfs/dbraw/zinc/93/91/30/572939130.db2.gz KABKTWJFHDTURS-SNVBAGLBSA-N 1 1 185.311 2.334 10 0 AEAEMO CC[C@H](C)C[N@@H+](CC)CC(=O)C1CC1 86438100 572939247 /nfs/dbraw/zinc/93/92/47/572939247.db2.gz ZHIKMMUBYMVPHV-JTQLQIEISA-N 1 1 197.322 2.334 10 0 AEAEMO CC[C@@H](C)C[N@@H+](CC)CC(=O)C1CC1 86438099 572939406 /nfs/dbraw/zinc/93/94/06/572939406.db2.gz ZHIKMMUBYMVPHV-SNVBAGLBSA-N 1 1 197.322 2.334 10 0 AEAEMO CC[C@H](C)C[N@@H+](CC)[C@@H]1CCCC1=O 86438040 572939452 /nfs/dbraw/zinc/93/94/52/572939452.db2.gz XUVGSRDBULMSLG-WDEREUQCSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(=O)C[N@H+](CC)C[C@@H](C)CC 86438027 572939461 /nfs/dbraw/zinc/93/94/61/572939461.db2.gz KABKTWJFHDTURS-JTQLQIEISA-N 1 1 185.311 2.334 10 0 AEAEMO C[C@H]1CC[C@H](C)c2c1[nH+]cn2C 76087533 572939534 /nfs/dbraw/zinc/93/95/34/572939534.db2.gz OETUXXKDOMHJNS-YUMQZZPRSA-N 1 1 164.252 2.421 10 0 AEAEMO CCC[N@@H+](C)C[C@@H](O)C(C)(C)CC 308197439 572940160 /nfs/dbraw/zinc/94/01/60/572940160.db2.gz NQFADJWCRKWYJF-SNVBAGLBSA-N 1 1 187.327 2.125 10 0 AEAEMO CC[C@@H](C)C[N@@H+](CC)[C@@H]1CCCC1=O 86438038 572939754 /nfs/dbraw/zinc/93/97/54/572939754.db2.gz XUVGSRDBULMSLG-GHMZBOCLSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@@H](C)C[N@@H+](CC)C[C@H](O)C1CC1 86438524 572939813 /nfs/dbraw/zinc/93/98/13/572939813.db2.gz DPQNPSAASZDVOF-PWSUYJOCSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H](C)C[N@@H+](CC)CCC(C)=O 86438080 572939845 /nfs/dbraw/zinc/93/98/45/572939845.db2.gz BLHWDUNTWHLGQG-SNVBAGLBSA-N 1 1 185.311 2.334 10 0 AEAEMO CC[C@H](C)C[N@@H+](CC)C[C@H](O)C1CC1 86438526 572939910 /nfs/dbraw/zinc/93/99/10/572939910.db2.gz DPQNPSAASZDVOF-JQWIXIFHSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H](C)C[N@@H+](CC)[C@@H](C)C(C)=O 86438019 572939918 /nfs/dbraw/zinc/93/99/18/572939918.db2.gz LDVUHNWSWAJVSY-ZJUUUORDSA-N 1 1 185.311 2.332 10 0 AEAEMO CC(C)[C@@H]1CCc2[nH+]cn(C)c2C1 76087542 572940314 /nfs/dbraw/zinc/94/03/14/572940314.db2.gz XTVFTFXXLKHWJO-SECBINFHSA-N 1 1 178.279 2.181 10 0 AEAEMO C[C@H]1CC[C@@H](C)c2[nH+]cn(C)c21 76087527 572940378 /nfs/dbraw/zinc/94/03/78/572940378.db2.gz OETUXXKDOMHJNS-SFYZADRCSA-N 1 1 164.252 2.421 10 0 AEAEMO CCCCC[C@H](C)[NH2+][C@@H](C)[C@@H](C)N 308196667 572940588 /nfs/dbraw/zinc/94/05/88/572940588.db2.gz NAWLYDSJQJTFMQ-AXFHLTTASA-N 1 1 186.343 2.281 10 0 AEAEMO CCCCC[C@H](C)[NH2+][C@@H](C)[C@H](C)N 308196672 572940633 /nfs/dbraw/zinc/94/06/33/572940633.db2.gz NAWLYDSJQJTFMQ-DCAQKATOSA-N 1 1 186.343 2.281 10 0 AEAEMO CCCC[C@@H](C)[N@@H+](C)C[C@H](N)CC 308209092 572941035 /nfs/dbraw/zinc/94/10/35/572941035.db2.gz VMRSJZVEEYQGQR-GHMZBOCLSA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[C@@H](C)N(C)C[C@H]([NH3+])CC 308209092 572941038 /nfs/dbraw/zinc/94/10/38/572941038.db2.gz VMRSJZVEEYQGQR-GHMZBOCLSA-N 1 1 186.343 2.234 10 0 AEAEMO CC(C)[C@H]1CCc2[nH+]cn(C)c2C1 76087546 572941039 /nfs/dbraw/zinc/94/10/39/572941039.db2.gz XTVFTFXXLKHWJO-VIFPVBQESA-N 1 1 178.279 2.181 10 0 AEAEMO CC(=O)CC[N@H+]1C[C@@H]2CCCCC[C@@H]21 687935458 572941290 /nfs/dbraw/zinc/94/12/90/572941290.db2.gz PYGLKKXKVGNDIC-RYUDHWBXSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC(CC)N(CC(N)=[NH2+])CC(C)C 86453498 572941230 /nfs/dbraw/zinc/94/12/30/572941230.db2.gz ULRVORZQPVLSFR-UHFFFAOYSA-N 1 1 199.342 2.069 10 0 AEAEMO CCCC[C@H](C)[N@@H+](C)C[C@H](N)CC 308209098 572941292 /nfs/dbraw/zinc/94/12/92/572941292.db2.gz VMRSJZVEEYQGQR-WDEREUQCSA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[C@H](C)N(C)C[C@H]([NH3+])CC 308209098 572941294 /nfs/dbraw/zinc/94/12/94/572941294.db2.gz VMRSJZVEEYQGQR-WDEREUQCSA-N 1 1 186.343 2.234 10 0 AEAEMO C[C@H]1CC[C@@H](C)c2c1[nH+]cn2C 76087539 572941667 /nfs/dbraw/zinc/94/16/67/572941667.db2.gz OETUXXKDOMHJNS-JGVFFNPUSA-N 1 1 164.252 2.421 10 0 AEAEMO CCC(CC)[N@H+](CC(C)C)C1CNC1 86453494 572942192 /nfs/dbraw/zinc/94/21/92/572942192.db2.gz UGBHDKSFKGCFHV-UHFFFAOYSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(CC)[N@@H+](CC(C)C)C1CNC1 86453494 572942196 /nfs/dbraw/zinc/94/21/96/572942196.db2.gz UGBHDKSFKGCFHV-UHFFFAOYSA-N 1 1 198.354 2.105 10 0 AEAEMO Cn1c(C2CC2)[nH+]c2c1CCCC2 76095402 572942284 /nfs/dbraw/zinc/94/22/84/572942284.db2.gz XUBKFMFLAKAEAM-UHFFFAOYSA-N 1 1 176.263 2.176 10 0 AEAEMO CO[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 76090600 572942489 /nfs/dbraw/zinc/94/24/89/572942489.db2.gz HZMJHZBAEIEWMH-QMMMGPOBSA-N 1 1 194.278 2.037 10 0 AEAEMO CO[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 76090600 572942492 /nfs/dbraw/zinc/94/24/92/572942492.db2.gz HZMJHZBAEIEWMH-QMMMGPOBSA-N 1 1 194.278 2.037 10 0 AEAEMO CC[C@H]1CC[N@H+]([C@H](CC)COC)C1 308209656 572942608 /nfs/dbraw/zinc/94/26/08/572942608.db2.gz FTBNBGPPGUAION-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@H](C)C[N@@H+](CC)C1(CN)CCC1 86475277 572942705 /nfs/dbraw/zinc/94/27/05/572942705.db2.gz SPFODNBRXLYUHA-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CO[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 76090598 572943398 /nfs/dbraw/zinc/94/33/98/572943398.db2.gz HZMJHZBAEIEWMH-MRVPVSSYSA-N 1 1 194.278 2.037 10 0 AEAEMO C[C@@H]([N@@H+](C)C1(CN)CCC1)C(C)(C)C 86475099 572942943 /nfs/dbraw/zinc/94/29/43/572942943.db2.gz MQWUFJCNICSNJQ-SNVBAGLBSA-N 1 1 198.354 2.234 10 0 AEAEMO CO[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 76090598 572943396 /nfs/dbraw/zinc/94/33/96/572943396.db2.gz HZMJHZBAEIEWMH-MRVPVSSYSA-N 1 1 194.278 2.037 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)C1(CN)CCC1 86475080 572943314 /nfs/dbraw/zinc/94/33/14/572943314.db2.gz PRPHHFQXZNCWMX-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@@H](C)[N@@H+](C)C1(CN)CCC1 86475079 572943408 /nfs/dbraw/zinc/94/34/08/572943408.db2.gz PRPHHFQXZNCWMX-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C(=O)C[N@@H+](C)CCC1CCC1 688692079 572943444 /nfs/dbraw/zinc/94/34/44/572943444.db2.gz QLCNXCLNHRHQKC-UHFFFAOYSA-N 1 1 197.322 2.334 10 0 AEAEMO CC(C)CCCC[NH2+][C@@H](C)[C@@H](C)N 308207628 572943648 /nfs/dbraw/zinc/94/36/48/572943648.db2.gz UNYMHEWACCOLNR-MNOVXSKESA-N 1 1 186.343 2.138 10 0 AEAEMO CC[N@@H+](C1CCCC1)C1(CN)CCC1 86474969 572944077 /nfs/dbraw/zinc/94/40/77/572944077.db2.gz JOIXVRNODVILRD-UHFFFAOYSA-N 1 1 196.338 2.132 10 0 AEAEMO CCCC[N@@H+](C1CC1)C1(CN)CCC1 86475051 572944190 /nfs/dbraw/zinc/94/41/90/572944190.db2.gz PJEUQVGYZCGWGA-UHFFFAOYSA-N 1 1 196.338 2.132 10 0 AEAEMO CCCCN(C1CC1)C1(C[NH3+])CCC1 86475051 572944194 /nfs/dbraw/zinc/94/41/94/572944194.db2.gz PJEUQVGYZCGWGA-UHFFFAOYSA-N 1 1 196.338 2.132 10 0 AEAEMO CC[C@@H](C)C[N@@H+](CC)C1(CN)CCC1 86475276 572944370 /nfs/dbraw/zinc/94/43/70/572944370.db2.gz SPFODNBRXLYUHA-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)C[N@@H+](C(C)C)C1(CN)CCC1 86475083 572944548 /nfs/dbraw/zinc/94/45/48/572944548.db2.gz NXZDSJDBJWCBKZ-UHFFFAOYSA-N 1 1 198.354 2.234 10 0 AEAEMO c1[nH+]c2c(n1C1CC1)CCCC2 76093901 572944663 /nfs/dbraw/zinc/94/46/63/572944663.db2.gz VGEGSLBKSQCEJU-UHFFFAOYSA-N 1 1 162.236 2.097 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC[C@@H]1CC(C)=O 86497560 572945713 /nfs/dbraw/zinc/94/57/13/572945713.db2.gz SJNLJZJAZJESJY-GXSJLCMTSA-N 1 1 183.295 2.228 10 0 AEAEMO CCC[C@@H](C)[C@H](C)[N@@H+](CC)CCO 308208479 572945892 /nfs/dbraw/zinc/94/58/92/572945892.db2.gz DXBQDGURDZFYAC-MNOVXSKESA-N 1 1 187.327 2.125 10 0 AEAEMO CC(=O)C[C@@H]1CCC[N@H+]1CCC1CC1 86497844 572945910 /nfs/dbraw/zinc/94/59/10/572945910.db2.gz ZUHUUFOFMFEZFJ-LBPRGKRZSA-N 1 1 195.306 2.230 10 0 AEAEMO C[N@@H+](CCC1CCC1)[C@H]1CCCC1=O 688692092 572945948 /nfs/dbraw/zinc/94/59/48/572945948.db2.gz QVOQKVIQBQRLEM-NSHDSACASA-N 1 1 195.306 2.230 10 0 AEAEMO CC(=O)C[C@@H]1CCC[N@H+]1CC=C(C)C 86497807 572945950 /nfs/dbraw/zinc/94/59/50/572945950.db2.gz YPGMVJATJQOIPJ-LBPRGKRZSA-N 1 1 195.306 2.396 10 0 AEAEMO CC(=O)C[C@H]1CCCC[N@@H+]1CC(C)C 86499181 572946006 /nfs/dbraw/zinc/94/60/06/572946006.db2.gz BIVXEWRCWUITCJ-GFCCVEGCSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(=O)C[C@H]1CCC[N@H+]1CC1CCC1 86497514 572946090 /nfs/dbraw/zinc/94/60/90/572946090.db2.gz XJRAGGPMFRTSKA-GFCCVEGCSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(=O)C[C@@H]1CCCC[N@H+]1CC1CC1 86499137 572946154 /nfs/dbraw/zinc/94/61/54/572946154.db2.gz ZADQMWJAPKYGJG-LBPRGKRZSA-N 1 1 195.306 2.230 10 0 AEAEMO C/C=C/C[N@H+]1CCC[C@@H]1CC(C)=O 86498053 572946197 /nfs/dbraw/zinc/94/61/97/572946197.db2.gz PPEGVZMHOUJVIQ-PGLGOXFNSA-N 1 1 181.279 2.006 10 0 AEAEMO CCC[C@H](C)[C@@H](C)[N@@H+](CC)CCO 308208481 572946868 /nfs/dbraw/zinc/94/68/68/572946868.db2.gz DXBQDGURDZFYAC-WDEREUQCSA-N 1 1 187.327 2.125 10 0 AEAEMO CC[N@@H+](C[C@@H](O)CC(C)C)C(C)C 308212704 572946534 /nfs/dbraw/zinc/94/65/34/572946534.db2.gz HGWKPWBLISDGFX-NSHDSACASA-N 1 1 187.327 2.124 10 0 AEAEMO CC(=O)C[C@@H]1CCC[N@@H+]1CCC(C)C 86497623 572946543 /nfs/dbraw/zinc/94/65/43/572946543.db2.gz SCJYRWHQUFDQKD-LBPRGKRZSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCC[C@@H]1CC(C)=O 86497558 572946561 /nfs/dbraw/zinc/94/65/61/572946561.db2.gz SJNLJZJAZJESJY-MWLCHTKSSA-N 1 1 183.295 2.228 10 0 AEAEMO CC(=O)C[C@@H]1CCCC[N@@H+]1CC(C)C 86499182 572946572 /nfs/dbraw/zinc/94/65/72/572946572.db2.gz BIVXEWRCWUITCJ-LBPRGKRZSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(=O)C[C@H]1CCC[N@H+]1CC=C(C)C 86497804 572946600 /nfs/dbraw/zinc/94/66/00/572946600.db2.gz YPGMVJATJQOIPJ-GFCCVEGCSA-N 1 1 195.306 2.396 10 0 AEAEMO CC(=O)C[C@H]1CCC[N@@H+]1CCC(C)C 86497621 572946609 /nfs/dbraw/zinc/94/66/09/572946609.db2.gz SCJYRWHQUFDQKD-GFCCVEGCSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC[N@H+]1CCCC[C@@H]1CC(C)=O 86499065 572946631 /nfs/dbraw/zinc/94/66/31/572946631.db2.gz SUQRPSODOMGZEN-LLVKDONJSA-N 1 1 183.295 2.230 10 0 AEAEMO CCCC[N@H+]1CCC[C@H]1CC(C)=O 86497372 572946660 /nfs/dbraw/zinc/94/66/60/572946660.db2.gz WUZXDPSHOJLFOS-NSHDSACASA-N 1 1 183.295 2.230 10 0 AEAEMO C/C=C/C[N@H+]1CCC[C@H]1CC(C)=O 86498055 572946679 /nfs/dbraw/zinc/94/66/79/572946679.db2.gz PPEGVZMHOUJVIQ-UFFNRZRYSA-N 1 1 181.279 2.006 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CCC[C@@H]1CC(C)=O 86498056 572946792 /nfs/dbraw/zinc/94/67/92/572946792.db2.gz RLTVKCIAALRXQT-ZYHUDNBSSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC[N@H+]1CCCC[C@H]1CC(C)=O 86499066 572946808 /nfs/dbraw/zinc/94/68/08/572946808.db2.gz SUQRPSODOMGZEN-NSHDSACASA-N 1 1 183.295 2.230 10 0 AEAEMO CC(=O)C[C@@H]1CCC[N@@H+]1CC(C)C 86497979 572946839 /nfs/dbraw/zinc/94/68/39/572946839.db2.gz PXFMKZYOCHRFCH-NSHDSACASA-N 1 1 183.295 2.086 10 0 AEAEMO CCC[C@@H](C)[C@@H](C)[N@@H+](CC)CCO 308208478 572947443 /nfs/dbraw/zinc/94/74/43/572947443.db2.gz DXBQDGURDZFYAC-GHMZBOCLSA-N 1 1 187.327 2.125 10 0 AEAEMO CCC[C@H](C)[C@H](C)[N@@H+](CC)CCO 308208480 572947800 /nfs/dbraw/zinc/94/78/00/572947800.db2.gz DXBQDGURDZFYAC-QWRGUYRKSA-N 1 1 187.327 2.125 10 0 AEAEMO CCC/C=C\CC[N@@H+](C)[C@H](C)CO 308214501 572947995 /nfs/dbraw/zinc/94/79/95/572947995.db2.gz IILNTKCEPWONHL-JMEBYUIHSA-N 1 1 185.311 2.045 10 0 AEAEMO CCC/C=C/CC[N@@H+](C)[C@H](C)CO 308214503 572948116 /nfs/dbraw/zinc/94/81/16/572948116.db2.gz IILNTKCEPWONHL-XUIVZRPNSA-N 1 1 185.311 2.045 10 0 AEAEMO Cn1c2c(c3ccccc31)CC[NH+]=C2 145258114 572948324 /nfs/dbraw/zinc/94/83/24/572948324.db2.gz OCRBFZVUKADXRT-UHFFFAOYSA-N 1 1 184.242 2.153 10 0 AEAEMO CCC[N@@H+](CC)CCOC(F)(F)F 308214492 572948845 /nfs/dbraw/zinc/94/88/45/572948845.db2.gz IICWJXWRLJLBEL-UHFFFAOYSA-N 1 1 199.216 2.255 10 0 AEAEMO CCC/C=C/CC[N@@H+](C)[C@@H](C)CO 308214502 572949575 /nfs/dbraw/zinc/94/95/75/572949575.db2.gz IILNTKCEPWONHL-MLRMMBSGSA-N 1 1 185.311 2.045 10 0 AEAEMO CC(C)[N@@H+](C)CC[C@@H]1CCCC1=O 86530085 572949857 /nfs/dbraw/zinc/94/98/57/572949857.db2.gz CDCMUQWJEPNQGR-JTQLQIEISA-N 1 1 183.295 2.086 10 0 AEAEMO C/C=C\C[N@H+]1CCCO[C@@H](CC)C1 308215345 572949959 /nfs/dbraw/zinc/94/99/59/572949959.db2.gz JBZGWUONKTXCBC-MZBZXASESA-N 1 1 183.295 2.063 10 0 AEAEMO CCCC[N@@H+](C)CC[C@H]1CCCC1=O 86530027 572950144 /nfs/dbraw/zinc/95/01/44/572950144.db2.gz YWYWOTGWIKDMFU-LLVKDONJSA-N 1 1 197.322 2.478 10 0 AEAEMO CC[N@@H+](CC[C@@H]1CCCC1=O)C1CC1 86530113 572950234 /nfs/dbraw/zinc/95/02/34/572950234.db2.gz HFYASEAAMBRERW-JTQLQIEISA-N 1 1 195.306 2.230 10 0 AEAEMO CCC[N@@H+](CC)CC[C@H]1CCCC1=O 86530134 572950289 /nfs/dbraw/zinc/95/02/89/572950289.db2.gz PALSSCDOGFMLKA-LLVKDONJSA-N 1 1 197.322 2.478 10 0 AEAEMO CC(C)[N@@H+](C)CC[C@H]1CCCC1=O 86530087 572950515 /nfs/dbraw/zinc/95/05/15/572950515.db2.gz CDCMUQWJEPNQGR-SNVBAGLBSA-N 1 1 183.295 2.086 10 0 AEAEMO C[N@@H+](CC[C@H]1CCCC1=O)CC1CC1 86530243 572950520 /nfs/dbraw/zinc/95/05/20/572950520.db2.gz ZGWRLHDYHFJHGU-LLVKDONJSA-N 1 1 195.306 2.088 10 0 AEAEMO CC(C)C[N@@H+](C)CC[C@H]1CCCC1=O 86530148 572950602 /nfs/dbraw/zinc/95/06/02/572950602.db2.gz MEWFEUHIVPSMJB-LLVKDONJSA-N 1 1 197.322 2.334 10 0 AEAEMO CCC[N@@H+](CC)CC[C@@H]1CCCC1=O 86530132 572950645 /nfs/dbraw/zinc/95/06/45/572950645.db2.gz PALSSCDOGFMLKA-NSHDSACASA-N 1 1 197.322 2.478 10 0 AEAEMO CCCC[N@@H+](C)CC[C@@H]1CCCC1=O 86530024 572950819 /nfs/dbraw/zinc/95/08/19/572950819.db2.gz YWYWOTGWIKDMFU-NSHDSACASA-N 1 1 197.322 2.478 10 0 AEAEMO CCC[N@@H+](C)CC[C@@H]1CCCC1=O 86530143 572950848 /nfs/dbraw/zinc/95/08/48/572950848.db2.gz IYDLQKYVOKUJNG-JTQLQIEISA-N 1 1 183.295 2.088 10 0 AEAEMO CC[N@@H+](CC[C@H]1CCCC1=O)C(C)C 86530123 572950879 /nfs/dbraw/zinc/95/08/79/572950879.db2.gz YEFPEECWXJITAD-LLVKDONJSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@H](C)[N@@H+](C)CC[C@@H]1CCCC1=O 86530151 572950893 /nfs/dbraw/zinc/95/08/93/572950893.db2.gz OGLVTKFFEVBNPI-QWRGUYRKSA-N 1 1 197.322 2.476 10 0 AEAEMO Cc1cc(N)ccc1[N@@H+]1CC[C@H](C)C1 58396217 572951063 /nfs/dbraw/zinc/95/10/63/572951063.db2.gz IKNAHITXBDPPCV-VIFPVBQESA-N 1 1 190.290 2.423 10 0 AEAEMO Cc1cc(N)ccc1[N@H+]1CC[C@H](C)C1 58396217 572951066 /nfs/dbraw/zinc/95/10/66/572951066.db2.gz IKNAHITXBDPPCV-VIFPVBQESA-N 1 1 190.290 2.423 10 0 AEAEMO CC[N@@H+](CC[C@H]1CCCC1=O)C1CC1 86530115 572951195 /nfs/dbraw/zinc/95/11/95/572951195.db2.gz HFYASEAAMBRERW-SNVBAGLBSA-N 1 1 195.306 2.230 10 0 AEAEMO CCCC[N@@H+](C)CC[C@H]1CCC[C@@H]1O 86536109 572951649 /nfs/dbraw/zinc/95/16/49/572951649.db2.gz WFODBEPIMPKNRJ-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H](C)[N@@H+](C)CC[C@@H]1CCC[C@@H]1O 86536130 572951716 /nfs/dbraw/zinc/95/17/16/572951716.db2.gz WJUAJCRASJPNND-SRVKXCTJSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@@H+](CC[C@H]1CCC[C@@H]1O)C1CC1 86536149 572951808 /nfs/dbraw/zinc/95/18/08/572951808.db2.gz FZYQWMUSGXKRLA-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[N@@H+](CC[C@H]1CCC[C@@H]1O)C(C)C 86536151 572951945 /nfs/dbraw/zinc/95/19/45/572951945.db2.gz CBTIYZUZYGVMLR-NEPJUHHUSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@@H+](CC[C@@H]1CCC[C@@H]1O)C(C)C 86536150 572951969 /nfs/dbraw/zinc/95/19/69/572951969.db2.gz CBTIYZUZYGVMLR-RYUDHWBXSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)C[N@@H+](C)CC[C@@H]1CCC[C@@H]1O 86536164 572952304 /nfs/dbraw/zinc/95/23/04/572952304.db2.gz CNLQQHJRNRMJBV-RYUDHWBXSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[N@@H+](CC)CC[C@@H]1CCC[C@@H]1O 86536170 572952340 /nfs/dbraw/zinc/95/23/40/572952340.db2.gz NUUDJYUTDVWMKE-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO NNc1c2c([nH+]c3ccccc13)CCC2 51169375 572952387 /nfs/dbraw/zinc/95/23/87/572952387.db2.gz RDLIQSZJQQYJTF-UHFFFAOYSA-N 1 1 199.257 2.009 10 0 AEAEMO CCC[N@@H+](CC)CC[C@H]1CCC[C@@H]1O 86536173 572952458 /nfs/dbraw/zinc/95/24/58/572952458.db2.gz NUUDJYUTDVWMKE-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)C[N@@H+](C)CC[C@H]1CCC[C@@H]1O 86536166 572952650 /nfs/dbraw/zinc/95/26/50/572952650.db2.gz CNLQQHJRNRMJBV-NEPJUHHUSA-N 1 1 199.338 2.125 10 0 AEAEMO C=C/C=C\CC[N@H+](CC)C(C)(C)CO 713649849 572955284 /nfs/dbraw/zinc/95/52/84/572955284.db2.gz DEEKDNURTWGSRD-FPLPWBNLSA-N 1 1 197.322 2.212 10 0 AEAEMO C=C/C=C/CC[N@H+](CC)C(C)(C)CO 713649835 572955314 /nfs/dbraw/zinc/95/53/14/572955314.db2.gz DEEKDNURTWGSRD-BQYQJAHWSA-N 1 1 197.322 2.212 10 0 AEAEMO C[C@@H]1CCC[N@H+](CC(C)(C)CN)[C@@H]1C 51249241 572955692 /nfs/dbraw/zinc/95/56/92/572955692.db2.gz WJRUDYYIASGJOW-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1CCC[N@@H+](CC(C)(C)CN)[C@@H]1C 51249241 572955695 /nfs/dbraw/zinc/95/56/95/572955695.db2.gz WJRUDYYIASGJOW-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CCC[N@H+](CC(C)(C)CN)[C@@H]1C 51249242 572955731 /nfs/dbraw/zinc/95/57/31/572955731.db2.gz WJRUDYYIASGJOW-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CCC[N@@H+](CC(C)(C)CN)[C@@H]1C 51249242 572955733 /nfs/dbraw/zinc/95/57/33/572955733.db2.gz WJRUDYYIASGJOW-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO COC1(CC[N@@H+](C)C(C)C)CCC1 393486447 572956173 /nfs/dbraw/zinc/95/61/73/572956173.db2.gz XMYQVELPFXIMDC-UHFFFAOYSA-N 1 1 185.311 2.286 10 0 AEAEMO CC(C)CC[N@@H+](C)[C@@H]1CCC[C@H](O)C1 86602253 572963530 /nfs/dbraw/zinc/96/35/30/572963530.db2.gz LCKRYUCXGOCPGL-NEPJUHHUSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@H]1CCC[C@H](O)C1 86601834 572963532 /nfs/dbraw/zinc/96/35/32/572963532.db2.gz PPBUQPGVZRYEBS-RYUDHWBXSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCC[N@@H+](CC(C)(C)CO)C1CC1 51294286 572961372 /nfs/dbraw/zinc/96/13/72/572961372.db2.gz RNYPNDLAOJVASH-UHFFFAOYSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@H](C)[NH+](CCNC)[C@H](C)CC 58846581 572961729 /nfs/dbraw/zinc/96/17/29/572961729.db2.gz GSAMHLOJZJHYBP-GHMZBOCLSA-N 1 1 186.343 2.105 10 0 AEAEMO CC(C)CC[N@@H+](C)[C@H]1CCCC(=O)C1 86600224 572961742 /nfs/dbraw/zinc/96/17/42/572961742.db2.gz YJURKUUAGZWEGG-NSHDSACASA-N 1 1 197.322 2.476 10 0 AEAEMO CCCC[N@@H+](C)[C@H]1CCC[C@H](O)C1 86601803 572961747 /nfs/dbraw/zinc/96/17/47/572961747.db2.gz QNRSYLFQXUBXGV-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO CCCCC[N@@H+](C)[C@H]1CCC[C@H](O)C1 86601906 572961862 /nfs/dbraw/zinc/96/18/62/572961862.db2.gz TVWGADRBOFKNKU-RYUDHWBXSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC[N@@H+](CC)[C@H]1CCCC(=O)C1 86599963 572961918 /nfs/dbraw/zinc/96/19/18/572961918.db2.gz SIDNZTXVEXFQCE-JTQLQIEISA-N 1 1 183.295 2.230 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@H]1CCC[C@H](O)C1 86601840 572961956 /nfs/dbraw/zinc/96/19/56/572961956.db2.gz FFVXEIHUDXTTKN-RYUDHWBXSA-N 1 1 199.338 2.410 10 0 AEAEMO CCCC[N@@H+](CC)[C@@H]1CCC[C@H](O)C1 86601809 572961961 /nfs/dbraw/zinc/96/19/61/572961961.db2.gz KMIOUUGIBJAIFC-NEPJUHHUSA-N 1 1 199.338 2.412 10 0 AEAEMO CC[N@@H+](CC1CC1)[C@H]1CCCC(=O)C1 86601390 572962034 /nfs/dbraw/zinc/96/20/34/572962034.db2.gz CMQPXSXULSHWSN-NSHDSACASA-N 1 1 195.306 2.230 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@H]1CCC[C@H](O)C1 86601969 572962144 /nfs/dbraw/zinc/96/21/44/572962144.db2.gz JZTOSKLNFHMGNR-RYUDHWBXSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[N@@H+](C1CC1)[C@@H]1CCCC(=O)C1 86599969 572962155 /nfs/dbraw/zinc/96/21/55/572962155.db2.gz IATNLJWZUSOSCW-LLVKDONJSA-N 1 1 195.306 2.373 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)[C@@H]1CCCC(=O)C1 86600005 572962167 /nfs/dbraw/zinc/96/21/67/572962167.db2.gz UEEUWLGPRXWTDV-GHMZBOCLSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@@H]1CCCC(=O)C1 86600007 572962183 /nfs/dbraw/zinc/96/21/83/572962183.db2.gz UEEUWLGPRXWTDV-WDEREUQCSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@@H]1CCC[C@H](O)C1 86601890 572962213 /nfs/dbraw/zinc/96/22/13/572962213.db2.gz FCOBCZYOONJMAH-TUAOUCFPSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[N@@H+](CC1CC1)[C@@H]1CCC[C@H](O)C1 86602619 572962263 /nfs/dbraw/zinc/96/22/63/572962263.db2.gz RMESYCRDOHEFOL-NEPJUHHUSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCCC[N@@H+](C)[C@@H]1CCC[C@H](O)C1 86601904 572962320 /nfs/dbraw/zinc/96/23/20/572962320.db2.gz TVWGADRBOFKNKU-NEPJUHHUSA-N 1 1 199.338 2.412 10 0 AEAEMO CCCC[N@@H+](CC)[C@H]1CCC[C@H](O)C1 86601811 572962412 /nfs/dbraw/zinc/96/24/12/572962412.db2.gz KMIOUUGIBJAIFC-RYUDHWBXSA-N 1 1 199.338 2.412 10 0 AEAEMO CCCC[N@@H+](C)[C@@H]1CCC[C@H](O)C1 86601801 572962419 /nfs/dbraw/zinc/96/24/19/572962419.db2.gz QNRSYLFQXUBXGV-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO Cc1ccc2[nH+]c(C)n(C)c2c1C 76209723 572962582 /nfs/dbraw/zinc/96/25/82/572962582.db2.gz NPEHBALBMQFYGY-UHFFFAOYSA-N 1 1 174.247 2.499 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@@H]1CCC[C@H](O)C1 86601838 572962589 /nfs/dbraw/zinc/96/25/89/572962589.db2.gz FFVXEIHUDXTTKN-NEPJUHHUSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[N@@H+](C1CC1)[C@H]1CCC[C@H](O)C1 86601898 572962622 /nfs/dbraw/zinc/96/26/22/572962622.db2.gz NXUBCARDENWMEV-RYUDHWBXSA-N 1 1 197.322 2.164 10 0 AEAEMO Cc1ccc(C)c2c1[nH+]c(C)n2C 76209720 572962660 /nfs/dbraw/zinc/96/26/60/572962660.db2.gz SOPYOPXLSLAPNI-UHFFFAOYSA-N 1 1 174.247 2.499 10 0 AEAEMO CCCC[N@@H+](C)[C@H]1CCCC(=O)C1 86599751 572962689 /nfs/dbraw/zinc/96/26/89/572962689.db2.gz UQUFIGAKEKIUOO-JTQLQIEISA-N 1 1 183.295 2.230 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@@H]1CCCC(=O)C1 86599990 572962700 /nfs/dbraw/zinc/96/27/00/572962700.db2.gz LTQHPYPDHOJJIT-LLVKDONJSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@@H]1CCC[C@H](O)C1 86601902 572962863 /nfs/dbraw/zinc/96/28/63/572962863.db2.gz ZXOOZZBESNTSHI-TUAOUCFPSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[N@@H+](C1CC1)[C@H]1CCCC(=O)C1 86599971 572962945 /nfs/dbraw/zinc/96/29/45/572962945.db2.gz IATNLJWZUSOSCW-NSHDSACASA-N 1 1 195.306 2.373 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@H]1CCCC(=O)C1 86599993 572962985 /nfs/dbraw/zinc/96/29/85/572962985.db2.gz LTQHPYPDHOJJIT-NSHDSACASA-N 1 1 197.322 2.476 10 0 AEAEMO CC[N@@H+](CC1CC1)[C@@H]1CCCC(=O)C1 86601388 572963079 /nfs/dbraw/zinc/96/30/79/572963079.db2.gz CMQPXSXULSHWSN-LLVKDONJSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@H]1CCC[C@H](O)C1 86601968 572963091 /nfs/dbraw/zinc/96/30/91/572963091.db2.gz JZTOSKLNFHMGNR-NEPJUHHUSA-N 1 1 199.338 2.410 10 0 AEAEMO CC(C)CC[N@@H+](C)[C@@H]1CCCC(=O)C1 86600222 572963130 /nfs/dbraw/zinc/96/31/30/572963130.db2.gz YJURKUUAGZWEGG-LLVKDONJSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@@H]1CCC[C@H](O)C1 86601833 572963186 /nfs/dbraw/zinc/96/31/86/572963186.db2.gz PPBUQPGVZRYEBS-NEPJUHHUSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)CC[N@@H+](C)[C@H]1CCC[C@H](O)C1 86602254 572963218 /nfs/dbraw/zinc/96/32/18/572963218.db2.gz LCKRYUCXGOCPGL-RYUDHWBXSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@@H+](CC1CC1)[C@H]1CCC[C@H](O)C1 86602621 572963343 /nfs/dbraw/zinc/96/33/43/572963343.db2.gz RMESYCRDOHEFOL-RYUDHWBXSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@H](O)C1 86601972 572963397 /nfs/dbraw/zinc/96/33/97/572963397.db2.gz RDYFWUSQCUAEBV-TUAOUCFPSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[N@@H+](CC)[C@@H]1CCC[C@H](O)C1 86601892 572963521 /nfs/dbraw/zinc/96/35/21/572963521.db2.gz KYZLENGZOSTNLC-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[N@@H+](C1CC1)[C@@H]1CCC[C@H](O)C1 86601896 572963559 /nfs/dbraw/zinc/96/35/59/572963559.db2.gz NXUBCARDENWMEV-NEPJUHHUSA-N 1 1 197.322 2.164 10 0 AEAEMO CCC[N@@H+](CC)[C@H]1CCC[C@H](O)C1 86601894 572963579 /nfs/dbraw/zinc/96/35/79/572963579.db2.gz KYZLENGZOSTNLC-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO CCCC[N@@H+](C1CC1)[C@@H]1CCC(=O)C1 86617958 572965691 /nfs/dbraw/zinc/96/56/91/572965691.db2.gz WFQUWSQGVBKDCA-LLVKDONJSA-N 1 1 195.306 2.373 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@H]1CCC(=O)C1 86617883 572965707 /nfs/dbraw/zinc/96/57/07/572965707.db2.gz GJYPBWIJZGCXCB-VHSXEESVSA-N 1 1 183.295 2.228 10 0 AEAEMO C[NH2+][C@H]1CC[C@H]([N@@H+](C)CCC(C)C)C1 86619050 572965716 /nfs/dbraw/zinc/96/57/16/572965716.db2.gz DMHQCGSYNPGGMH-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCCC[N@@H+](C)[C@@H]1CC[C@H]([NH2+]C)C1 86618817 572965724 /nfs/dbraw/zinc/96/57/24/572965724.db2.gz ZKWRPBJFHFSVCJ-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)[C@@H]1CC[C@H](O)C1 86620612 572965355 /nfs/dbraw/zinc/96/53/55/572965355.db2.gz AXUFOJVWSUBXFZ-TUAOUCFPSA-N 1 1 199.338 2.266 10 0 AEAEMO CCC[N@@H+](CC1CC1)[C@H]1CCC(=O)C1 86617953 572965430 /nfs/dbraw/zinc/96/54/30/572965430.db2.gz DJXFEUAEMWWROH-NSHDSACASA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)C[N@@H+](C(C)C)[C@H]1CC[C@H](O)C1 86620618 572965436 /nfs/dbraw/zinc/96/54/36/572965436.db2.gz WBZPBQHZGDRBLA-RYUDHWBXSA-N 1 1 199.338 2.266 10 0 AEAEMO CC(C)CC[N@@H+](C)[C@@H]1CCC(=O)C1 86617934 572965462 /nfs/dbraw/zinc/96/54/62/572965462.db2.gz FHSLHERJENUIEN-SNVBAGLBSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@@H]1CCC(=O)C1 86617861 572965510 /nfs/dbraw/zinc/96/55/10/572965510.db2.gz NLESROFTCYGODF-VHSXEESVSA-N 1 1 183.295 2.228 10 0 AEAEMO C[NH2+][C@H]1CC[C@@H]([N@@H+](C)CCC(C)C)C1 86619049 572965539 /nfs/dbraw/zinc/96/55/39/572965539.db2.gz DMHQCGSYNPGGMH-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[N@@H+](C(C)C)[C@@H]1CCC(=O)C1 86617996 572965561 /nfs/dbraw/zinc/96/55/61/572965561.db2.gz QYTBUGBCKCPVJC-LLVKDONJSA-N 1 1 197.322 2.474 10 0 AEAEMO CCCCOc1cc(C)[nH+]cc1CO 88110477 572965627 /nfs/dbraw/zinc/96/56/27/572965627.db2.gz VQAUUZNAYMXYAI-UHFFFAOYSA-N 1 1 195.262 2.061 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@@H]1CCC(=O)C1 86617858 572965846 /nfs/dbraw/zinc/96/58/46/572965846.db2.gz VCFGZSDAPMWXKH-SNVBAGLBSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@H](C)C[N@@H+](CC)[C@@H]1CCC(=O)C1 86618680 572965885 /nfs/dbraw/zinc/96/58/85/572965885.db2.gz JOXPHOAWQZYIGL-WDEREUQCSA-N 1 1 197.322 2.476 10 0 AEAEMO CCCC[N@@H+](C1CC1)[C@H]1CC[C@H](O)C1 86620528 572965891 /nfs/dbraw/zinc/96/58/91/572965891.db2.gz LEYSNXTXPFIFLL-RYUDHWBXSA-N 1 1 197.322 2.164 10 0 AEAEMO CCCCC[N@@H+](C)[C@H]1CC[C@H]([NH2+]C)C1 86618818 572965942 /nfs/dbraw/zinc/96/59/42/572965942.db2.gz ZKWRPBJFHFSVCJ-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@@H+](CC)[C@@H]1CCC(=O)C1 86617781 572966030 /nfs/dbraw/zinc/96/60/30/572966030.db2.gz URBHPGYSLYWJGU-SNVBAGLBSA-N 1 1 183.295 2.230 10 0 AEAEMO CCCC[N@@H+](C1CC1)[C@@H]1CC[C@H](O)C1 86620527 572966057 /nfs/dbraw/zinc/96/60/57/572966057.db2.gz LEYSNXTXPFIFLL-NEPJUHHUSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)[C@@H]1CCC(=O)C1 86617860 572966084 /nfs/dbraw/zinc/96/60/84/572966084.db2.gz NLESROFTCYGODF-NXEZZACHSA-N 1 1 183.295 2.228 10 0 AEAEMO CC(C)[N@@H+](CC1CC1)[C@@H]1CC[C@H](O)C1 86620657 572966112 /nfs/dbraw/zinc/96/61/12/572966112.db2.gz AAFGPFHUIROHTQ-NEPJUHHUSA-N 1 1 197.322 2.020 10 0 AEAEMO CC[C@@H](C)C[N@@H+](CC)[C@@H]1CCC(=O)C1 86618679 572966114 /nfs/dbraw/zinc/96/61/14/572966114.db2.gz JOXPHOAWQZYIGL-GHMZBOCLSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(C)C[N@@H+](C1CC1)[C@H]1CCC(=O)C1 86617991 572966235 /nfs/dbraw/zinc/96/62/35/572966235.db2.gz WZVKVBPLXWEREX-NSHDSACASA-N 1 1 195.306 2.228 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@H]1CCC(=O)C1 86617849 572966277 /nfs/dbraw/zinc/96/62/77/572966277.db2.gz PROWNCOQPHWYKQ-JTQLQIEISA-N 1 1 183.295 2.228 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@H]1CC[C@H](O)C1 86620441 572966288 /nfs/dbraw/zinc/96/62/88/572966288.db2.gz MHMVRCJZGIXAMO-MNOVXSKESA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)[C@@H]1CC[C@H](O)C1 86620374 572966328 /nfs/dbraw/zinc/96/63/28/572966328.db2.gz VICMQHVNUCPCMU-AXFHLTTASA-N 1 1 185.311 2.020 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@H]1CC[C@H](O)C1 86620328 572966419 /nfs/dbraw/zinc/96/64/19/572966419.db2.gz DLCYPVXIYYDVRO-QWRGUYRKSA-N 1 1 185.311 2.020 10 0 AEAEMO CC(C)C[N@@H+](C1CC1)[C@@H]1CCC(=O)C1 86617990 572966437 /nfs/dbraw/zinc/96/64/37/572966437.db2.gz WZVKVBPLXWEREX-LLVKDONJSA-N 1 1 195.306 2.228 10 0 AEAEMO CCCC[N@@H+](C)[C@H]1CC[C@H]([NH2+]CC)C1 86618548 572966448 /nfs/dbraw/zinc/96/64/48/572966448.db2.gz SSKHYKIQCPRZSM-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)[C@@H]1CCC(=O)C1 86617882 572966502 /nfs/dbraw/zinc/96/65/02/572966502.db2.gz GJYPBWIJZGCXCB-NXEZZACHSA-N 1 1 183.295 2.228 10 0 AEAEMO CCCC[N@@H+](CC)[C@@H]1CC[C@H](O)C1 86620290 572966525 /nfs/dbraw/zinc/96/65/25/572966525.db2.gz RREQGMWIVXFXCT-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO CCCC[N@@H+](C)[C@@H]1CC[C@H]([NH2+]CC)C1 86618547 572966584 /nfs/dbraw/zinc/96/65/84/572966584.db2.gz SSKHYKIQCPRZSM-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)C[N@@H+](C1CC1)[C@H]1CC[C@H](O)C1 86620542 572966600 /nfs/dbraw/zinc/96/66/00/572966600.db2.gz FTCSPGAFFLDIOJ-RYUDHWBXSA-N 1 1 197.322 2.020 10 0 AEAEMO CC(C)[N@@H+](CC1CC1)[C@H]1CCC(=O)C1 86617999 572966603 /nfs/dbraw/zinc/96/66/03/572966603.db2.gz RHVYPZFRCFCSFZ-NSHDSACASA-N 1 1 195.306 2.228 10 0 AEAEMO CCC[N@@H+](CC1CC1)[C@H]1CC[C@H](O)C1 86620534 572966622 /nfs/dbraw/zinc/96/66/22/572966622.db2.gz AYOURVHRMUHOBR-RYUDHWBXSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)[C@@H]1CCC(=O)C1 86617993 572966907 /nfs/dbraw/zinc/96/69/07/572966907.db2.gz BOFHBRBBOBRBJF-WDEREUQCSA-N 1 1 197.322 2.474 10 0 AEAEMO CCCC[N@@H+](CC)[C@H]1CCC(=O)C1 86617782 572966931 /nfs/dbraw/zinc/96/69/31/572966931.db2.gz URBHPGYSLYWJGU-JTQLQIEISA-N 1 1 183.295 2.230 10 0 AEAEMO CCC[N@@H+](CC1CC1)[C@@H]1CC[C@H](O)C1 86620533 572966950 /nfs/dbraw/zinc/96/69/50/572966950.db2.gz AYOURVHRMUHOBR-NEPJUHHUSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)C[N@@H+](C1CC1)[C@@H]1CC[C@H](O)C1 86620541 572967012 /nfs/dbraw/zinc/96/70/12/572967012.db2.gz FTCSPGAFFLDIOJ-NEPJUHHUSA-N 1 1 197.322 2.020 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@@H]1CCC(=O)C1 86617865 572967043 /nfs/dbraw/zinc/96/70/43/572967043.db2.gz WUFDJJZWXXIBQI-VHSXEESVSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)CC[N@@H+](C)[C@H]1CCC(=O)C1 86617935 572967130 /nfs/dbraw/zinc/96/71/30/572967130.db2.gz FHSLHERJENUIEN-JTQLQIEISA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)[C@@H]1CCC(=O)C1 86617864 572967138 /nfs/dbraw/zinc/96/71/38/572967138.db2.gz WUFDJJZWXXIBQI-NXEZZACHSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC[N@@H+](C1CC1)[C@@H]1CC[C@H]([NH2+]C)C1 86618749 572967154 /nfs/dbraw/zinc/96/71/54/572967154.db2.gz KIKQISFGXDDWLN-CMPLNLGQSA-N 1 1 196.338 2.001 10 0 AEAEMO CC(C)[N@@H+](CC1CC1)[C@H]1CC[C@H](O)C1 86620658 572967175 /nfs/dbraw/zinc/96/71/75/572967175.db2.gz AAFGPFHUIROHTQ-RYUDHWBXSA-N 1 1 197.322 2.020 10 0 AEAEMO CCCC[N@@H+](C1CC1)[C@H]1CCC(=O)C1 86617959 572967238 /nfs/dbraw/zinc/96/72/38/572967238.db2.gz WFQUWSQGVBKDCA-NSHDSACASA-N 1 1 195.306 2.373 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@@H]1CC[C@H](O)C1 86620327 572967248 /nfs/dbraw/zinc/96/72/48/572967248.db2.gz DLCYPVXIYYDVRO-MNOVXSKESA-N 1 1 185.311 2.020 10 0 AEAEMO CC(C)C[N@@H+](C(C)C)[C@@H]1CC[C@H](O)C1 86620617 572967251 /nfs/dbraw/zinc/96/72/51/572967251.db2.gz WBZPBQHZGDRBLA-NEPJUHHUSA-N 1 1 199.338 2.266 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@H]1CC[C@H](O)C1 86620444 572967299 /nfs/dbraw/zinc/96/72/99/572967299.db2.gz YURZCUSIIFOECE-AXFHLTTASA-N 1 1 185.311 2.020 10 0 AEAEMO CCCCC[N@@H+](C)[C@H]1CC[C@H](O)C1 86620390 572967347 /nfs/dbraw/zinc/96/73/47/572967347.db2.gz IYOPWMUCWVUPLR-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[N@@H+](C1CC1)[C@H]1CC[C@H]([NH2+]C)C1 86618750 572967455 /nfs/dbraw/zinc/96/74/55/572967455.db2.gz KIKQISFGXDDWLN-JQWIXIFHSA-N 1 1 196.338 2.001 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@H]1CCC(=O)C1 86617880 572967540 /nfs/dbraw/zinc/96/75/40/572967540.db2.gz RKPWDDHQPAFAHB-SNVBAGLBSA-N 1 1 183.295 2.228 10 0 AEAEMO CC(C)[N@@H+](CC1CC1)[C@@H]1CCC(=O)C1 86617998 572967569 /nfs/dbraw/zinc/96/75/69/572967569.db2.gz RHVYPZFRCFCSFZ-LLVKDONJSA-N 1 1 195.306 2.228 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@H]1CCC(=O)C1 86617859 572967606 /nfs/dbraw/zinc/96/76/06/572967606.db2.gz VCFGZSDAPMWXKH-JTQLQIEISA-N 1 1 183.295 2.086 10 0 AEAEMO CCC[N@@H+](CC1CC1)[C@@H]1CCC(=O)C1 86617952 572967633 /nfs/dbraw/zinc/96/76/33/572967633.db2.gz DJXFEUAEMWWROH-LLVKDONJSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)C[N@@H+](C(C)C)[C@H]1CCC(=O)C1 86617997 572967681 /nfs/dbraw/zinc/96/76/81/572967681.db2.gz QYTBUGBCKCPVJC-NSHDSACASA-N 1 1 197.322 2.474 10 0 AEAEMO CC[C@H](C)Oc1cc(C)[nH+]cc1CO 88110483 572967745 /nfs/dbraw/zinc/96/77/45/572967745.db2.gz QKCMRMGEYLGMOO-VIFPVBQESA-N 1 1 195.262 2.060 10 0 AEAEMO CC[C@H](C)C[N@@H+](CC)[C@@H]1CC[C@H](O)C1 86621012 572967863 /nfs/dbraw/zinc/96/78/63/572967863.db2.gz PBZYKGUEJAHAFZ-TUAOUCFPSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H]1CC[C@@H]([N@H+](C)CC(C)(C)CN)C1 86637209 572968616 /nfs/dbraw/zinc/96/86/16/572968616.db2.gz XJYNMEZPFMKRKN-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1CC[C@@H]([N@@H+](C)CC(C)(C)CN)C1 86637209 572968618 /nfs/dbraw/zinc/96/86/18/572968618.db2.gz XJYNMEZPFMKRKN-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CC[C@@H]([N@H+](C)CC(C)(C)CN)C1 86637212 572968630 /nfs/dbraw/zinc/96/86/30/572968630.db2.gz XJYNMEZPFMKRKN-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CC[C@@H]([N@@H+](C)CC(C)(C)CN)C1 86637212 572968632 /nfs/dbraw/zinc/96/86/32/572968632.db2.gz XJYNMEZPFMKRKN-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](C1CC1)[N@H+](C)CC(C)(C)CN 86637568 572968817 /nfs/dbraw/zinc/96/88/17/572968817.db2.gz PXIVPNIUXHTLAW-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](C1CC1)[N@@H+](C)CC(C)(C)CN 86637568 572968819 /nfs/dbraw/zinc/96/88/19/572968819.db2.gz PXIVPNIUXHTLAW-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](C)Oc1cc(C)[nH+]cc1CO 88110482 572968835 /nfs/dbraw/zinc/96/88/35/572968835.db2.gz QKCMRMGEYLGMOO-SECBINFHSA-N 1 1 195.262 2.060 10 0 AEAEMO C[C@@H]1CCC[C@H]1[N@H+](C)CC(C)(C)CN 86637594 572968846 /nfs/dbraw/zinc/96/88/46/572968846.db2.gz VPDIIIFSIVRMDC-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1CCC[C@H]1[N@@H+](C)CC(C)(C)CN 86637594 572968848 /nfs/dbraw/zinc/96/88/48/572968848.db2.gz VPDIIIFSIVRMDC-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CC[C@H]([N@H+](C)CC(C)(C)CN)C1 86637206 572968936 /nfs/dbraw/zinc/96/89/36/572968936.db2.gz XJYNMEZPFMKRKN-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CC[C@H]([N@@H+](C)CC(C)(C)CN)C1 86637206 572968938 /nfs/dbraw/zinc/96/89/38/572968938.db2.gz XJYNMEZPFMKRKN-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CCC[C@@H]1[N@H+](C)CC(C)(C)CN 86637590 572969065 /nfs/dbraw/zinc/96/90/65/572969065.db2.gz VPDIIIFSIVRMDC-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CCC[C@@H]1[N@@H+](C)CC(C)(C)CN 86637590 572969066 /nfs/dbraw/zinc/96/90/66/572969066.db2.gz VPDIIIFSIVRMDC-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1CC[C@H]([N@H+](C)CC(C)(C)CN)C1 86637201 572969102 /nfs/dbraw/zinc/96/91/02/572969102.db2.gz XJYNMEZPFMKRKN-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1CC[C@H]([N@@H+](C)CC(C)(C)CN)C1 86637201 572969104 /nfs/dbraw/zinc/96/91/04/572969104.db2.gz XJYNMEZPFMKRKN-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1CCC[C@@H]1[N@H+](C)CC(C)(C)CN 86637587 572969115 /nfs/dbraw/zinc/96/91/15/572969115.db2.gz VPDIIIFSIVRMDC-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1CCC[C@@H]1[N@@H+](C)CC(C)(C)CN 86637587 572969116 /nfs/dbraw/zinc/96/91/16/572969116.db2.gz VPDIIIFSIVRMDC-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CCC[C@H]1[N@H+](C)CC(C)(C)CN 86637597 572969211 /nfs/dbraw/zinc/96/92/11/572969211.db2.gz VPDIIIFSIVRMDC-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CCC[C@H]1[N@@H+](C)CC(C)(C)CN 86637597 572969213 /nfs/dbraw/zinc/96/92/13/572969213.db2.gz VPDIIIFSIVRMDC-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C1CC1)[N@H+](C)CC(C)(C)CN 86637571 572969226 /nfs/dbraw/zinc/96/92/26/572969226.db2.gz PXIVPNIUXHTLAW-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C1CC1)[N@@H+](C)CC(C)(C)CN 86637571 572969228 /nfs/dbraw/zinc/96/92/28/572969228.db2.gz PXIVPNIUXHTLAW-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC1C[NH+]([C@@H](CN)CC(C)C)C1 86679072 572971540 /nfs/dbraw/zinc/97/15/40/572971540.db2.gz JLGDMXNCROJFFY-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC1C[NH+]([C@H](CN)CC(C)C)C1 86679070 572971277 /nfs/dbraw/zinc/97/12/77/572971277.db2.gz JLGDMXNCROJFFY-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC1C[NH+](C(CC)(CC)CN)C1 86679128 572971466 /nfs/dbraw/zinc/97/14/66/572971466.db2.gz NBDUMZMPFSBUID-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H](C[NH3+])N1CC(C(C)(C)C)C1 86679721 572973827 /nfs/dbraw/zinc/97/38/27/572973827.db2.gz DFIXVOFYCLFTKB-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(CC)(CN)[NH+]1CC(C(C)C)C1 86679145 572972083 /nfs/dbraw/zinc/97/20/83/572972083.db2.gz LYKXVYWWSNZAAO-UHFFFAOYSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H](CN)[NH+]1CC(CC)(CC)C1 86679698 572972466 /nfs/dbraw/zinc/97/24/66/572972466.db2.gz PAMVXJXLBHAILV-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)[N@H+]1CCc2sc(N)cc2C1 59484834 572972734 /nfs/dbraw/zinc/97/27/34/572972734.db2.gz KCQSRSLOGNZLEU-UHFFFAOYSA-N 1 1 196.319 2.097 10 0 AEAEMO Cc1cnccc1-c1c[nH+]c(N)cc1C 86716488 572973072 /nfs/dbraw/zinc/97/30/72/572973072.db2.gz BLPBDBWALQGOAP-UHFFFAOYSA-N 1 1 199.257 2.343 10 0 AEAEMO CCC1(CC)C[NH+]([C@H](CN)C(C)C)C1 86679761 572973094 /nfs/dbraw/zinc/97/30/94/572973094.db2.gz ZGQXRDMUNIKMBC-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO Cc1ccncc1-c1c[nH+]c(N)cc1C 86716490 572973248 /nfs/dbraw/zinc/97/32/48/572973248.db2.gz YXLPZYVUYFIAQB-UHFFFAOYSA-N 1 1 199.257 2.343 10 0 AEAEMO Cc1ccc(-c2c[nH+]c(N)cc2C)cn1 86716450 572973404 /nfs/dbraw/zinc/97/34/04/572973404.db2.gz FOIYLURSCRBWAN-UHFFFAOYSA-N 1 1 199.257 2.343 10 0 AEAEMO CCC[C@@H](CN)[NH+]1CC(CC)(CC)C1 86679697 572973590 /nfs/dbraw/zinc/97/35/90/572973590.db2.gz PAMVXJXLBHAILV-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CCC1(CC)C[NH+]([C@@H](CN)C(C)C)C1 86679760 572973698 /nfs/dbraw/zinc/97/36/98/572973698.db2.gz ZGQXRDMUNIKMBC-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@@H](C[NH3+])N1CC(C(C)(C)C)C1 86679719 572973979 /nfs/dbraw/zinc/97/39/79/572973979.db2.gz DFIXVOFYCLFTKB-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)(C)CC(C)(C)N[C@@H]1CC[NH2+]C1 86727478 572974170 /nfs/dbraw/zinc/97/41/70/572974170.db2.gz SCLXBKNYJCTMFJ-SNVBAGLBSA-N 1 1 198.354 2.153 10 0 AEAEMO CC(C)(C)CC(C)(C)N[C@H]1CC[NH2+]C1 86727481 572974602 /nfs/dbraw/zinc/97/46/02/572974602.db2.gz SCLXBKNYJCTMFJ-JTQLQIEISA-N 1 1 198.354 2.153 10 0 AEAEMO CCc1ccc([C@@H]([NH3+])c2ccoc2)o1 51726475 572976608 /nfs/dbraw/zinc/97/66/08/572976608.db2.gz LHEWPJKEXRNQAZ-NSHDSACASA-N 1 1 191.230 2.483 10 0 AEAEMO CCc1ccc([C@H]([NH3+])c2ccoc2)o1 51726474 572976707 /nfs/dbraw/zinc/97/67/07/572976707.db2.gz LHEWPJKEXRNQAZ-LLVKDONJSA-N 1 1 191.230 2.483 10 0 AEAEMO CCOC(=[NH2+])C(CC)CC 51690518 572977125 /nfs/dbraw/zinc/97/71/25/572977125.db2.gz NENMBBLWFKILRQ-UHFFFAOYSA-N 1 1 143.230 2.436 10 0 AEAEMO C[C@@H]1CC[N@@H+]([C@@H]2CCCC2=O)[C@H](C)C1 51733914 572977889 /nfs/dbraw/zinc/97/78/89/572977889.db2.gz XLDNAPBXLUZHRP-GMTAPVOTSA-N 1 1 195.306 2.228 10 0 AEAEMO CCCC(=O)C[N@@H+](C)CCC1CCC1 688692401 572978041 /nfs/dbraw/zinc/97/80/41/572978041.db2.gz VYWSCCYLRYTORZ-UHFFFAOYSA-N 1 1 197.322 2.478 10 0 AEAEMO CCNc1ncc(C[N@@H+](C)CC)s1 86765697 572978062 /nfs/dbraw/zinc/97/80/62/572978062.db2.gz COOVYHJUFXNGOF-UHFFFAOYSA-N 1 1 199.323 2.027 10 0 AEAEMO CC(=O)CC[N@@H+]1CC[C@H](C)C[C@H]1C 51733737 572978204 /nfs/dbraw/zinc/97/82/04/572978204.db2.gz WOBYJZUDVVQBON-VHSXEESVSA-N 1 1 183.295 2.086 10 0 AEAEMO CN[C@H](C)[C@H](C)[N@@H+]1CC[C@@H](C)C[C@H]1C 51731497 572978220 /nfs/dbraw/zinc/97/82/20/572978220.db2.gz MAQFELWNPKJJST-KKOKHZNYSA-N 1 1 198.354 2.103 10 0 AEAEMO CN[C@H](C)[C@H](C)[N@H+]1CC[C@@H](C)C[C@H]1C 51731497 572978222 /nfs/dbraw/zinc/97/82/22/572978222.db2.gz MAQFELWNPKJJST-KKOKHZNYSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H](N)[C@H](C)[N@H+]1CC[C@H](C)C[C@@H]1C 51731158 572978331 /nfs/dbraw/zinc/97/83/31/572978331.db2.gz HHANOPBXFFYNKS-BJDJZHNGSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@H]([NH3+])[C@H](C)N1CC[C@H](C)C[C@@H]1C 51731158 572978333 /nfs/dbraw/zinc/97/83/33/572978333.db2.gz HHANOPBXFFYNKS-BJDJZHNGSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@H+]1CC[C@H](C)C[C@@H]1C 51747190 572978420 /nfs/dbraw/zinc/97/84/20/572978420.db2.gz MMUQJCKOMZZSFO-BJDJZHNGSA-N 1 1 199.338 2.266 10 0 AEAEMO CCC(CC)[C@H]1CN[C@H](CC)C[N@H+]1C 238193089 572978763 /nfs/dbraw/zinc/97/87/63/572978763.db2.gz KGLHGIZBYAIHNO-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(CC)[C@H]1C[NH2+][C@H](CC)CN1C 238193089 572978765 /nfs/dbraw/zinc/97/87/65/572978765.db2.gz KGLHGIZBYAIHNO-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CN[C@H](C)[C@H](C)[N@@H+]1CC[C@H](C)C[C@H]1C 51731499 572978937 /nfs/dbraw/zinc/97/89/37/572978937.db2.gz MAQFELWNPKJJST-QCNOEVLYSA-N 1 1 198.354 2.103 10 0 AEAEMO CN[C@H](C)[C@H](C)[N@H+]1CC[C@H](C)C[C@H]1C 51731499 572978939 /nfs/dbraw/zinc/97/89/39/572978939.db2.gz MAQFELWNPKJJST-QCNOEVLYSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(=O)CC[N@@H+]1CC[C@@H](C)C[C@H]1C 51733735 572979147 /nfs/dbraw/zinc/97/91/47/572979147.db2.gz WOBYJZUDVVQBON-NXEZZACHSA-N 1 1 183.295 2.086 10 0 AEAEMO C[C@@H]1CC[N@H+](C2CCCCC2)[C@H]1CO 299910858 572980353 /nfs/dbraw/zinc/98/03/53/572980353.db2.gz MQYWNZYOJKKZLG-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1CC[N@H+](C2CCCCC2)[C@H]1CO 299910857 572980448 /nfs/dbraw/zinc/98/04/48/572980448.db2.gz MQYWNZYOJKKZLG-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1CC(N)(CC)CC 86814436 572980585 /nfs/dbraw/zinc/98/05/85/572980585.db2.gz DDMWYPNIDCBJAF-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@H](C)CN(C)C[C@](C)([NH3+])CC 86809064 572982668 /nfs/dbraw/zinc/98/26/68/572982668.db2.gz DTRYIZHDGCDWSS-WDEREUQCSA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@@](C)(N)C[NH2+]C1CCCCC1 86809273 572982672 /nfs/dbraw/zinc/98/26/72/572982672.db2.gz FKKCQINOPBPOPG-LLVKDONJSA-N 1 1 184.327 2.036 10 0 AEAEMO CC[C@H]1CCC[N@H+]1CC(N)(CC)CC 86814437 572981025 /nfs/dbraw/zinc/98/10/25/572981025.db2.gz DDMWYPNIDCBJAF-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@@H](C)N(C)C[C@](C)([NH3+])CC 86809154 572982687 /nfs/dbraw/zinc/98/26/87/572982687.db2.gz SXEVJBRMFHQTJY-GHMZBOCLSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@@H](C)N(CC)C[C@](C)([NH3+])CC 86809049 572982692 /nfs/dbraw/zinc/98/26/92/572982692.db2.gz HQUQOICVXHDNTJ-GHMZBOCLSA-N 1 1 186.343 2.234 10 0 AEAEMO CCN(CC(C)C)C[C@](C)([NH3+])CC 86809047 572981845 /nfs/dbraw/zinc/98/18/45/572981845.db2.gz CYTYMSSUERBNGO-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC(CC)N(C)C[C@@](C)([NH3+])CC 86809151 572981875 /nfs/dbraw/zinc/98/18/75/572981875.db2.gz YOCVJQUDVCNPNM-NSHDSACASA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@H]1CCCCN1C[C@](C)([NH3+])CC 86809003 572981903 /nfs/dbraw/zinc/98/19/03/572981903.db2.gz VVZIQVODWXPYOB-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@H](C)[NH2+]C[C@](C)(N)CC 86810136 572981911 /nfs/dbraw/zinc/98/19/11/572981911.db2.gz ZXZXXSBOPSYMFA-GHMZBOCLSA-N 1 1 186.343 2.282 10 0 AEAEMO CC[C@H](C)N(CC)C[C@](C)([NH3+])CC 86809052 572983221 /nfs/dbraw/zinc/98/32/21/572983221.db2.gz HQUQOICVXHDNTJ-WDEREUQCSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@@H]1CCCN(C[C@](C)([NH3+])CC)C1 86809168 572981952 /nfs/dbraw/zinc/98/19/52/572981952.db2.gz VIUGIDGSXCZSJG-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@](C)([NH3+])CN(CC1CC1)C(C)C 86809806 572981966 /nfs/dbraw/zinc/98/19/66/572981966.db2.gz QWCDIAMOJJCFEJ-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCN(C[C@@](C)([NH3+])CC)C(C)C 86809021 572982643 /nfs/dbraw/zinc/98/26/43/572982643.db2.gz BLQLVBGGPRRDKH-NSHDSACASA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[C@@H](C)[NH2+]C[C@@](C)(N)CC 86810142 572982069 /nfs/dbraw/zinc/98/20/69/572982069.db2.gz ZXZXXSBOPSYMFA-MNOVXSKESA-N 1 1 186.343 2.282 10 0 AEAEMO CC[C@](C)(N)C[NH2+]C1C(C)(C)C1(C)C 86810743 572982121 /nfs/dbraw/zinc/98/21/21/572982121.db2.gz SYLJCQBAFNJKTP-LBPRGKRZSA-N 1 1 198.354 2.138 10 0 AEAEMO CCCCC[N@@H+](C)C[C@@](C)([NH3+])CC 86809059 572982136 /nfs/dbraw/zinc/98/21/36/572982136.db2.gz SHAHPYIIEOKVTP-NSHDSACASA-N 1 1 186.343 2.236 10 0 AEAEMO CCCCCN(C)C[C@@](C)([NH3+])CC 86809059 572982138 /nfs/dbraw/zinc/98/21/38/572982138.db2.gz SHAHPYIIEOKVTP-NSHDSACASA-N 1 1 186.343 2.236 10 0 AEAEMO CCC[C@H](C)N(C)C[C@](C)([NH3+])CC 86809158 572982166 /nfs/dbraw/zinc/98/21/66/572982166.db2.gz SXEVJBRMFHQTJY-WDEREUQCSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@@](C)(N)C[N@H+]1CCC[C@@H]1C(C)C 86810696 572982173 /nfs/dbraw/zinc/98/21/73/572982173.db2.gz YLUYKRHHXDYWQR-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CCCCN1C[C@](C)([NH3+])CC 86809000 572982234 /nfs/dbraw/zinc/98/22/34/572982234.db2.gz VVZIQVODWXPYOB-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[N@@H+](C)C[C@](C)([NH3+])CC 86809055 572982241 /nfs/dbraw/zinc/98/22/41/572982241.db2.gz SHAHPYIIEOKVTP-LLVKDONJSA-N 1 1 186.343 2.236 10 0 AEAEMO CCCCCN(C)C[C@](C)([NH3+])CC 86809055 572982246 /nfs/dbraw/zinc/98/22/46/572982246.db2.gz SHAHPYIIEOKVTP-LLVKDONJSA-N 1 1 186.343 2.236 10 0 AEAEMO CC[C@@H](C)CN(C)C[C@](C)([NH3+])CC 86809062 572982294 /nfs/dbraw/zinc/98/22/94/572982294.db2.gz DTRYIZHDGCDWSS-GHMZBOCLSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC1CCN(C[C@@](C)([NH3+])CC)CC1 86809477 572982311 /nfs/dbraw/zinc/98/23/11/572982311.db2.gz NFTYQLZOYDORPW-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC1CC[NH+](C[C@@](C)(N)CC)CC1 86809477 572982312 /nfs/dbraw/zinc/98/23/12/572982312.db2.gz NFTYQLZOYDORPW-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCN(C[C@](C)([NH3+])CC)C(C)C 86809018 572982315 /nfs/dbraw/zinc/98/23/15/572982315.db2.gz BLQLVBGGPRRDKH-LLVKDONJSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@@](C)([NH3+])CN(C)CC1CCCC1 86810411 572982387 /nfs/dbraw/zinc/98/23/87/572982387.db2.gz XFJDWFYOLYRXQN-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCN(CCC)C[C@@](C)([NH3+])CC 86808795 572982411 /nfs/dbraw/zinc/98/24/11/572982411.db2.gz LHMMGYYENINOCH-NSHDSACASA-N 1 1 186.343 2.236 10 0 AEAEMO CC[C@@](C)(N)C[N@H+](C)CC(C)(C)C 86809993 572982435 /nfs/dbraw/zinc/98/24/35/572982435.db2.gz LHBQJMLIXHXELS-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@@](C)(N)C[N@@H+](C)CC(C)(C)C 86809993 572982436 /nfs/dbraw/zinc/98/24/36/572982436.db2.gz LHBQJMLIXHXELS-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@@](C)(N)C[NH2+]C1C(C)(C)C1(C)C 86810745 572982438 /nfs/dbraw/zinc/98/24/38/572982438.db2.gz SYLJCQBAFNJKTP-GFCCVEGCSA-N 1 1 198.354 2.138 10 0 AEAEMO CCCC[C@H](C)[NH2+]C[C@@](C)(N)CC 86810144 572982464 /nfs/dbraw/zinc/98/24/64/572982464.db2.gz ZXZXXSBOPSYMFA-QWRGUYRKSA-N 1 1 186.343 2.282 10 0 AEAEMO CC[C@](C)([NH3+])C[N@@H+](C)CCC(C)C 86809506 572982480 /nfs/dbraw/zinc/98/24/80/572982480.db2.gz DPJWWLROZVARLQ-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@](C)([NH3+])CN(C)CCC(C)C 86809506 572982482 /nfs/dbraw/zinc/98/24/82/572982482.db2.gz DPJWWLROZVARLQ-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CCCN(CC1CC1)C[C@@](C)([NH3+])CC 86809586 572982506 /nfs/dbraw/zinc/98/25/06/572982506.db2.gz FAVRBKGYAGOFLI-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@](C)(N)C[NH2+]C1(C)CCCC1 86810628 572983365 /nfs/dbraw/zinc/98/33/65/572983365.db2.gz PWAVXGYLVRAAID-SNVBAGLBSA-N 1 1 184.327 2.036 10 0 AEAEMO CC[C@](C)(N)C[NH2+]CC1(C)CCCC1 86810442 572982554 /nfs/dbraw/zinc/98/25/54/572982554.db2.gz NTMBOAFKYXWMCF-LBPRGKRZSA-N 1 1 198.354 2.284 10 0 AEAEMO CC[C@](C)(N)C[NH2+]C1CCCCC1 86809270 572983429 /nfs/dbraw/zinc/98/34/29/572983429.db2.gz FKKCQINOPBPOPG-NSHDSACASA-N 1 1 184.327 2.036 10 0 AEAEMO CCCN(CC1CC1)C[C@](C)([NH3+])CC 86809583 572982716 /nfs/dbraw/zinc/98/27/16/572982716.db2.gz FAVRBKGYAGOFLI-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H]1CCCN(C[C@](C)([NH3+])CC)C1 86809171 572982740 /nfs/dbraw/zinc/98/27/40/572982740.db2.gz VIUGIDGSXCZSJG-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[N@@H+](C[C@@](C)([NH3+])CC)C1CC1 86809604 572982776 /nfs/dbraw/zinc/98/27/76/572982776.db2.gz XIEKLKGDERAOFW-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCN(C[C@@](C)([NH3+])CC)C1CC1 86809604 572982778 /nfs/dbraw/zinc/98/27/78/572982778.db2.gz XIEKLKGDERAOFW-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[N@H+](C[C@@](C)(N)CC)C1CC1 86809604 572982779 /nfs/dbraw/zinc/98/27/79/572982779.db2.gz XIEKLKGDERAOFW-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[N@@H+](C[C@@](C)(N)CC)C1CC1 86809604 572982782 /nfs/dbraw/zinc/98/27/82/572982782.db2.gz XIEKLKGDERAOFW-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@](C)([NH3+])CN(C)[C@@H](C)C(C)C 86809144 572982824 /nfs/dbraw/zinc/98/28/24/572982824.db2.gz BYJKFWJXPTVZQE-QWRGUYRKSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)CC(N)(CC)CC 86814342 572983743 /nfs/dbraw/zinc/98/37/43/572983743.db2.gz LRVYOIUPAMLZHY-SNVBAGLBSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@](C)(N)C[N@H+](C)CC(C)(C)C 86809990 572982878 /nfs/dbraw/zinc/98/28/78/572982878.db2.gz LHBQJMLIXHXELS-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@](C)(N)C[N@@H+](C)CC(C)(C)C 86809990 572982879 /nfs/dbraw/zinc/98/28/79/572982879.db2.gz LHBQJMLIXHXELS-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CCCC[N@@H+](C[C@](C)([NH3+])CC)C1CC1 86809600 572982914 /nfs/dbraw/zinc/98/29/14/572982914.db2.gz XIEKLKGDERAOFW-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCN(C[C@](C)([NH3+])CC)C1CC1 86809600 572982916 /nfs/dbraw/zinc/98/29/16/572982916.db2.gz XIEKLKGDERAOFW-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[N@H+](C[C@](C)(N)CC)C1CC1 86809600 572982917 /nfs/dbraw/zinc/98/29/17/572982917.db2.gz XIEKLKGDERAOFW-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[N@@H+](C[C@](C)(N)CC)C1CC1 86809600 572982919 /nfs/dbraw/zinc/98/29/19/572982919.db2.gz XIEKLKGDERAOFW-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC(C)(C)N(C)C[C@](C)([NH3+])CC 86810478 572982984 /nfs/dbraw/zinc/98/29/84/572982984.db2.gz RBIBWRQTTIJFSN-LLVKDONJSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@@](C)([NH3+])C[N@@H+](C)CCC(C)C 86809511 572982993 /nfs/dbraw/zinc/98/29/93/572982993.db2.gz DPJWWLROZVARLQ-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@@](C)([NH3+])CN(C)CCC(C)C 86809511 572982994 /nfs/dbraw/zinc/98/29/94/572982994.db2.gz DPJWWLROZVARLQ-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCN(C[C@](C)([NH3+])CC)C1CCCC1 86809104 572983005 /nfs/dbraw/zinc/98/30/05/572983005.db2.gz FZTMKTASDIQKOJ-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@](C)([NH3+])CN(CC(C)C)C1CC1 86809781 572983010 /nfs/dbraw/zinc/98/30/10/572983010.db2.gz DDVUTMNMSMKSPS-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCN(CCC)C[C@](C)([NH3+])CC 86808792 572983053 /nfs/dbraw/zinc/98/30/53/572983053.db2.gz LHMMGYYENINOCH-LLVKDONJSA-N 1 1 186.343 2.236 10 0 AEAEMO CC[C@](C)([NH3+])CN(C)C1CCCCC1 86808834 572983071 /nfs/dbraw/zinc/98/30/71/572983071.db2.gz GBJRZNDLOQZCTH-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@@](C)(N)C[NH2+]C1CCCCCC1 86809262 572983082 /nfs/dbraw/zinc/98/30/82/572983082.db2.gz JIACHZPLINNHRL-GFCCVEGCSA-N 1 1 198.354 2.426 10 0 AEAEMO CC[C@@](C)(N)C[NH2+]C1(C)CCCCC1 86809988 572983100 /nfs/dbraw/zinc/98/31/00/572983100.db2.gz JXBREXXTXURDKV-LLVKDONJSA-N 1 1 198.354 2.426 10 0 AEAEMO CCCCN(CC)C[C@](C)([NH3+])CC 86808817 572983104 /nfs/dbraw/zinc/98/31/04/572983104.db2.gz IFKHLMJMDCXDNN-LLVKDONJSA-N 1 1 186.343 2.236 10 0 AEAEMO CCN(CC(C)C)C[C@@](C)([NH3+])CC 86809045 572983131 /nfs/dbraw/zinc/98/31/31/572983131.db2.gz CYTYMSSUERBNGO-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@](C)(N)C[NH2+]C1CCCCCC1 86809260 572983154 /nfs/dbraw/zinc/98/31/54/572983154.db2.gz JIACHZPLINNHRL-LBPRGKRZSA-N 1 1 198.354 2.426 10 0 AEAEMO CC[C@](C)([NH3+])CN(CC1CC1)C(C)C 86809803 572983159 /nfs/dbraw/zinc/98/31/59/572983159.db2.gz QWCDIAMOJJCFEJ-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@H](C)[NH2+]C[C@](C)(N)CC 86810138 572983188 /nfs/dbraw/zinc/98/31/88/572983188.db2.gz ZXZXXSBOPSYMFA-WDEREUQCSA-N 1 1 186.343 2.282 10 0 AEAEMO CCN(C[C@@](C)([NH3+])CC)C1CCCC1 86809101 572983243 /nfs/dbraw/zinc/98/32/43/572983243.db2.gz FZTMKTASDIQKOJ-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC1CCN(C[C@](C)([NH3+])CC)CC1 86809475 572983294 /nfs/dbraw/zinc/98/32/94/572983294.db2.gz NFTYQLZOYDORPW-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC1CC[NH+](C[C@](C)(N)CC)CC1 86809475 572983296 /nfs/dbraw/zinc/98/32/96/572983296.db2.gz NFTYQLZOYDORPW-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@](C)([NH3+])CN(C)[C@@H](C)C(C)C 86809146 572983304 /nfs/dbraw/zinc/98/33/04/572983304.db2.gz BYJKFWJXPTVZQE-WDEREUQCSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@](C)([NH3+])CN(C)C1CCCCC1 86808836 572983313 /nfs/dbraw/zinc/98/33/13/572983313.db2.gz GBJRZNDLOQZCTH-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC(CC)N(C)C[C@](C)([NH3+])CC 86809149 572983335 /nfs/dbraw/zinc/98/33/35/572983335.db2.gz YOCVJQUDVCNPNM-LLVKDONJSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@](C)([NH3+])CN(C)CC1CCCC1 86810408 572983376 /nfs/dbraw/zinc/98/33/76/572983376.db2.gz XFJDWFYOLYRXQN-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCN(CC)C[C@@](C)([NH3+])CC 86808821 572983391 /nfs/dbraw/zinc/98/33/91/572983391.db2.gz IFKHLMJMDCXDNN-NSHDSACASA-N 1 1 186.343 2.236 10 0 AEAEMO CC[C@](C)(N)C[NH2+]C1(C)CCCC1 86810625 572983403 /nfs/dbraw/zinc/98/34/03/572983403.db2.gz PWAVXGYLVRAAID-JTQLQIEISA-N 1 1 184.327 2.036 10 0 AEAEMO CC[C@](C)(N)C[N@H+]1CCC[C@@H]1C(C)C 86810693 572983405 /nfs/dbraw/zinc/98/34/05/572983405.db2.gz YLUYKRHHXDYWQR-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[N@@H+](C)CC([NH3+])(CC)CC 86814276 572983960 /nfs/dbraw/zinc/98/39/60/572983960.db2.gz AFJBQYWITLMBIY-UHFFFAOYSA-N 1 1 186.343 2.236 10 0 AEAEMO CCCCN(C)CC([NH3+])(CC)CC 86814276 572983961 /nfs/dbraw/zinc/98/39/61/572983961.db2.gz AFJBQYWITLMBIY-UHFFFAOYSA-N 1 1 186.343 2.236 10 0 AEAEMO CC[C@@](C)([NH3+])CN(CC(C)C)C1CC1 86809784 572983461 /nfs/dbraw/zinc/98/34/61/572983461.db2.gz DDVUTMNMSMKSPS-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(C)(C)N(C)C[C@@](C)([NH3+])CC 86810480 572983517 /nfs/dbraw/zinc/98/35/17/572983517.db2.gz RBIBWRQTTIJFSN-NSHDSACASA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[N@@H+](CC)CC(N)(CC)CC 86814332 572983601 /nfs/dbraw/zinc/98/36/01/572983601.db2.gz TXYQMYDZAJZIRQ-UHFFFAOYSA-N 1 1 186.343 2.236 10 0 AEAEMO CCC(N)(CC)C[N@@H+](C)[C@H](C)C1CC1 86814396 572983664 /nfs/dbraw/zinc/98/36/64/572983664.db2.gz DSODUBHTQCBXFF-SNVBAGLBSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)[N@@H+](C)CC(N)(CC)CC 86814344 572983754 /nfs/dbraw/zinc/98/37/54/572983754.db2.gz LRVYOIUPAMLZHY-JTQLQIEISA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[N@@H+](CC([NH3+])(CC)CC)C1CC1 86814336 572984002 /nfs/dbraw/zinc/98/40/02/572984002.db2.gz HYDWOKOEOOFNSP-UHFFFAOYSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCN(CC([NH3+])(CC)CC)C1CC1 86814336 572984003 /nfs/dbraw/zinc/98/40/03/572984003.db2.gz HYDWOKOEOOFNSP-UHFFFAOYSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC(N)(CC)C[N@@H+](C)C1CCCC1 86814330 572984064 /nfs/dbraw/zinc/98/40/64/572984064.db2.gz RRYAFSVROPQGGY-UHFFFAOYSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[N@@H+](CC1CC1)CC(N)(CC)CC 86814817 572985896 /nfs/dbraw/zinc/98/58/96/572985896.db2.gz QGYDCZMNXGBFFD-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC(N)(CC)C[N@H+]1CCC[C@H](C)C1 86814261 572984271 /nfs/dbraw/zinc/98/42/71/572984271.db2.gz QBRMFKFRPDJVMK-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CCC(N)(CC)C[N@@H+](C)[C@@H](C)C1CC1 86814394 572984295 /nfs/dbraw/zinc/98/42/95/572984295.db2.gz DSODUBHTQCBXFF-JTQLQIEISA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(N)(CC)C[N@H+]1CCC[C@@H](C)C1 86814262 572984437 /nfs/dbraw/zinc/98/44/37/572984437.db2.gz QBRMFKFRPDJVMK-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC(N)(CC)C[N@H+]1CCCC[C@H]1C 86814249 572984467 /nfs/dbraw/zinc/98/44/67/572984467.db2.gz SYQSFNMHOYFVQY-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[N@@H+](CC(N)(CC)CC)C(C)C 86814325 572984650 /nfs/dbraw/zinc/98/46/50/572984650.db2.gz IOVKNCGSHFMDEP-UHFFFAOYSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC(N)(CC)C[N@H+]1CCCC[C@@H]1C 86814248 572984723 /nfs/dbraw/zinc/98/47/23/572984723.db2.gz SYQSFNMHOYFVQY-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CCC(N)(CC)C[N@@H+](C)CC(C)C 86814340 572984861 /nfs/dbraw/zinc/98/48/61/572984861.db2.gz QFNBQYGRDFURLR-UHFFFAOYSA-N 1 1 186.343 2.092 10 0 AEAEMO C=C/C=C/CCc1ccc[nH+]c1N 713672709 572985056 /nfs/dbraw/zinc/98/50/56/572985056.db2.gz RWGYMNPMXRSBPE-ONEGZZNKSA-N 1 1 174.247 2.339 10 0 AEAEMO CCCC[N@@H+](C)[C@@H]1CCC(C)(C)[C@@H]1N 86856017 572985296 /nfs/dbraw/zinc/98/52/96/572985296.db2.gz QKQWLYDSCKKRHL-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCN(C)[C@@H]1CCC(C)(C)[C@@H]1[NH3+] 86856017 572985298 /nfs/dbraw/zinc/98/52/98/572985298.db2.gz QKQWLYDSCKKRHL-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(N)(CC)C[N@H+]1CCCC1(C)C 86814762 572985313 /nfs/dbraw/zinc/98/53/13/572985313.db2.gz XWMPMFQFYAHJDG-UHFFFAOYSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[N@@H+](CC)[C@@H]1CCC(C)(C)[C@@H]1N 86856151 572985438 /nfs/dbraw/zinc/98/54/38/572985438.db2.gz ZQPGGIYPLAMJOF-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[N@@H+](C)[C@H]1CCC(C)(C)[C@@H]1N 86856018 572985513 /nfs/dbraw/zinc/98/55/13/572985513.db2.gz QKQWLYDSCKKRHL-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCN(C)[C@H]1CCC(C)(C)[C@@H]1[NH3+] 86856018 572985515 /nfs/dbraw/zinc/98/55/15/572985515.db2.gz QKQWLYDSCKKRHL-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(N)(CC)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86814901 572985770 /nfs/dbraw/zinc/98/57/70/572985770.db2.gz CFYDOPFVRUIFHC-PHIMTYICSA-N 1 1 198.354 2.092 10 0 AEAEMO CCN(CC1CC1)CC([NH3+])(CC)CC 86814817 572985897 /nfs/dbraw/zinc/98/58/97/572985897.db2.gz QGYDCZMNXGBFFD-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC(N)(CC)C[NH2+]C1(C)CCCC1 86814875 572986043 /nfs/dbraw/zinc/98/60/43/572986043.db2.gz RNVOBQXQNJNKRG-UHFFFAOYSA-N 1 1 198.354 2.426 10 0 AEAEMO C[C@@H]1CC[N@H+](C2CCCCC2)C[C@H]1O 299916812 572986355 /nfs/dbraw/zinc/98/63/55/572986355.db2.gz STLDDIHXIHOTCE-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1CC[N@H+](C2CCCCC2)C[C@H]1O 299916810 572986362 /nfs/dbraw/zinc/98/63/62/572986362.db2.gz STLDDIHXIHOTCE-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[N@@H+](CC)[C@H]1CCC(C)(C)[C@@H]1N 86856152 572986422 /nfs/dbraw/zinc/98/64/22/572986422.db2.gz ZQPGGIYPLAMJOF-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO C=C/C=C\CCc1ccc[nH+]c1N 713672708 572986440 /nfs/dbraw/zinc/98/64/40/572986440.db2.gz RWGYMNPMXRSBPE-ARJAWSKDSA-N 1 1 174.247 2.339 10 0 AEAEMO CCC(N)(CC)C[N@@H+](C)CC1CCC1 86814735 572986610 /nfs/dbraw/zinc/98/66/10/572986610.db2.gz HETOUFJIYODPER-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC([NH3+])(CC)CN(C)CC1CCC1 86814735 572986612 /nfs/dbraw/zinc/98/66/12/572986612.db2.gz HETOUFJIYODPER-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[N@@H+](C[C@@H](C)O)[C@H](C)CC(C)C 308217409 572992537 /nfs/dbraw/zinc/99/25/37/572992537.db2.gz JVSOJJDGJFWIPT-GHMZBOCLSA-N 1 1 187.327 2.124 10 0 AEAEMO CC[N@@H+](C)CC1(CC)CCOCC1 308216400 572992562 /nfs/dbraw/zinc/99/25/62/572992562.db2.gz JQEUTIAHPFOOJQ-UHFFFAOYSA-N 1 1 185.311 2.145 10 0 AEAEMO CC[C@@H]1C[C@H](C)C[N@H+]1CCC(C)=O 308216645 572992677 /nfs/dbraw/zinc/99/26/77/572992677.db2.gz AIBNPBSDEUOZQG-GXSJLCMTSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@H]1C[C@@H](C)C[N@H+]1CCC(C)=O 308216649 572993280 /nfs/dbraw/zinc/99/32/80/572993280.db2.gz AIBNPBSDEUOZQG-KOLCDFICSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H](/C=C\CCO)C1 258208009 572993352 /nfs/dbraw/zinc/99/33/52/572993352.db2.gz NUHKGWJBMMNESZ-GCLPIYDQSA-N 1 1 197.322 2.045 10 0 AEAEMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCC(C)=O 308216651 572993440 /nfs/dbraw/zinc/99/34/40/572993440.db2.gz AIBNPBSDEUOZQG-MWLCHTKSSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@H]1C[C@H](C)C[N@H+]1CCC(C)=O 308216654 572993772 /nfs/dbraw/zinc/99/37/72/572993772.db2.gz AIBNPBSDEUOZQG-ONGXEEELSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[N@@H+](C[C@@H](C)O)[C@@H](C)CC(C)C 308217417 572994175 /nfs/dbraw/zinc/99/41/75/572994175.db2.gz JVSOJJDGJFWIPT-WDEREUQCSA-N 1 1 187.327 2.124 10 0 AEAEMO CCNc1cc(NC)nc(C(C)C)[nH+]1 87908956 572994846 /nfs/dbraw/zinc/99/48/46/572994846.db2.gz KKJDUGQOTJXSSJ-UHFFFAOYSA-N 1 1 194.282 2.074 10 0 AEAEMO CC[N@@H+](C[C@H](C)O)[C@@H](C)CC(C)C 308217415 572995041 /nfs/dbraw/zinc/99/50/41/572995041.db2.gz JVSOJJDGJFWIPT-QWRGUYRKSA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@H](O)C[N@H+]1CC[C@H]2CCCC[C@@H]21 113267154 572995242 /nfs/dbraw/zinc/99/52/42/572995242.db2.gz MHDADFXRDDMKPI-WOPDTQHZSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[C@@H](C)[N@@H+](CCOC)C1CC1 308218992 572995833 /nfs/dbraw/zinc/99/58/33/572995833.db2.gz KIJBQCKTACJVQK-SNVBAGLBSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@@H](O)C[N@H+]1CC[C@H]2CCCC[C@@H]21 113267157 572996576 /nfs/dbraw/zinc/99/65/76/572996576.db2.gz MHDADFXRDDMKPI-UTUOFQBUSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[C@H](C)[N@@H+](CCOC)C1CC1 308218990 572997617 /nfs/dbraw/zinc/99/76/17/572997617.db2.gz KIJBQCKTACJVQK-JTQLQIEISA-N 1 1 185.311 2.286 10 0 AEAEMO CC[N@H+]1CCC[C@H](C2(O)CCCC2)C1 257918956 572997755 /nfs/dbraw/zinc/99/77/55/572997755.db2.gz GBUYKXLRNREBQZ-NSHDSACASA-N 1 1 197.322 2.023 10 0 AEAEMO Cc1ccc([C@@H]2[NH2+]CC(C)(C)CO2)o1 258468321 572997866 /nfs/dbraw/zinc/99/78/66/572997866.db2.gz KVCNPRVZIPFQOZ-SNVBAGLBSA-N 1 1 195.262 2.233 10 0 AEAEMO CC(C)Nc1cc(N)nc(C(C)C)[nH+]1 87908917 572998159 /nfs/dbraw/zinc/99/81/59/572998159.db2.gz JTLHVRZSFWEROO-UHFFFAOYSA-N 1 1 194.282 2.003 10 0 AEAEMO CC(=O)CC1=CC[N@@H+](C(C)C)CC1 258210067 572998484 /nfs/dbraw/zinc/99/84/84/572998484.db2.gz VDNKLFXEAHHKDE-UHFFFAOYSA-N 1 1 181.279 2.006 10 0 AEAEMO Cc1cn2c(ccc3cc(N)ccc32)[nH+]1 258210617 572999665 /nfs/dbraw/zinc/99/96/65/572999665.db2.gz XRXZYGTVEIAWFK-UHFFFAOYSA-N 1 1 197.241 2.378 10 0 AEAEMO CC[N@H+]1CCC[C@@H](C2(O)CCCC2)C1 257918955 572999699 /nfs/dbraw/zinc/99/96/99/572999699.db2.gz GBUYKXLRNREBQZ-LLVKDONJSA-N 1 1 197.322 2.023 10 0 AEAEMO C[N@H+]1CCC[C@H](CSCC2CC2)C1 308219298 573000913 /nfs/dbraw/zinc/00/09/13/573000913.db2.gz BQHGDQJPWFZAAL-NSHDSACASA-N 1 1 199.363 2.471 10 0 AEAEMO C[N@H+]1CCC[C@@H](CSCC2CC2)C1 308219297 573001035 /nfs/dbraw/zinc/00/10/35/573001035.db2.gz BQHGDQJPWFZAAL-LLVKDONJSA-N 1 1 199.363 2.471 10 0 AEAEMO CC[C@H](N)C[N@@H+](CC(C)C)C(C)C 42593475 573001894 /nfs/dbraw/zinc/00/18/94/573001894.db2.gz OWBZDEVJLWZBLE-NSHDSACASA-N 1 1 186.343 2.090 10 0 AEAEMO NNc1[nH+]c(Cl)cc2ccccc12 104545191 573002692 /nfs/dbraw/zinc/00/26/92/573002692.db2.gz ZPYLYEIUNOOHBV-UHFFFAOYSA-N 1 1 193.637 2.174 10 0 AEAEMO CC(=O)CCC1=CC[N@@H+](C(C)C)CC1 257919730 573002015 /nfs/dbraw/zinc/00/20/15/573002015.db2.gz BWSBZPBTMADHMA-UHFFFAOYSA-N 1 1 195.306 2.396 10 0 AEAEMO CC(C)[C@H](N)C[N@@H+](CC1CC1)C(C)C 42593634 573002625 /nfs/dbraw/zinc/00/26/25/573002625.db2.gz CBIMRSGNTZQHLK-GFCCVEGCSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@H]([NH3+])CN(CC1CC1)C(C)C 42593634 573002629 /nfs/dbraw/zinc/00/26/29/573002629.db2.gz CBIMRSGNTZQHLK-GFCCVEGCSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H]([NH2+]CCCC1CCCC1)[C@@H](C)N 308472896 573002978 /nfs/dbraw/zinc/00/29/78/573002978.db2.gz CIKAVCBWDYKSOG-MNOVXSKESA-N 1 1 198.354 2.282 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+]CCCC1CCCC1 308472897 573003263 /nfs/dbraw/zinc/00/32/63/573003263.db2.gz CIKAVCBWDYKSOG-QWRGUYRKSA-N 1 1 198.354 2.282 10 0 AEAEMO COCCC[C@@H](C)[N@@H+]1CC=CCC1 308473987 573003740 /nfs/dbraw/zinc/00/37/40/573003740.db2.gz LLYROGXIMIWYNE-LLVKDONJSA-N 1 1 183.295 2.063 10 0 AEAEMO C[C@H](N)[C@@H](C)[NH2+]CCCC1CCCC1 308472898 573004022 /nfs/dbraw/zinc/00/40/22/573004022.db2.gz CIKAVCBWDYKSOG-WDEREUQCSA-N 1 1 198.354 2.282 10 0 AEAEMO CCCC1(CN[C@@H](C)C[NH2+]CC)CC1 308472890 573005188 /nfs/dbraw/zinc/00/51/88/573005188.db2.gz CIDSWDCGNRCBFL-NSHDSACASA-N 1 1 198.354 2.154 10 0 AEAEMO CCC[N@@H+](CC(C)C)[C@H]1CCC[C@@H]1N 308473140 573004490 /nfs/dbraw/zinc/00/44/90/573004490.db2.gz JKKNOZLRAOHQKW-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO C[N@@H+](C[C@H]1CC=CCC1)C(C)(C)CO 128350612 573005024 /nfs/dbraw/zinc/00/50/24/573005024.db2.gz DJXDWALNSMNGOP-NSHDSACASA-N 1 1 197.322 2.045 10 0 AEAEMO CCCC1(C[NH2+][C@@H](C)CNCC)CC1 308472890 573005180 /nfs/dbraw/zinc/00/51/80/573005180.db2.gz CIDSWDCGNRCBFL-NSHDSACASA-N 1 1 198.354 2.154 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)C[C@@H](N)CC1CC1 308472582 573005315 /nfs/dbraw/zinc/00/53/15/573005315.db2.gz JXJCWVGNFQVLTD-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H](C)N(C)C[C@@H]([NH3+])CC1CC1 308472582 573005320 /nfs/dbraw/zinc/00/53/20/573005320.db2.gz JXJCWVGNFQVLTD-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO C[N@@H+](C[C@@H]1CC=CCC1)C(C)(C)CO 128350864 573006407 /nfs/dbraw/zinc/00/64/07/573006407.db2.gz DJXDWALNSMNGOP-LLVKDONJSA-N 1 1 197.322 2.045 10 0 AEAEMO CCCC1(C[NH2+][C@H](C)CNCC)CC1 308472889 573006612 /nfs/dbraw/zinc/00/66/12/573006612.db2.gz CIDSWDCGNRCBFL-LLVKDONJSA-N 1 1 198.354 2.154 10 0 AEAEMO CCCC1(CN[C@H](C)C[NH2+]CC)CC1 308472889 573006618 /nfs/dbraw/zinc/00/66/18/573006618.db2.gz CIDSWDCGNRCBFL-LLVKDONJSA-N 1 1 198.354 2.154 10 0 AEAEMO CCC[N@@H+](CC(C)C)[C@@H]1CCC[C@H]1N 308473141 573006817 /nfs/dbraw/zinc/00/68/17/573006817.db2.gz JKKNOZLRAOHQKW-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]1CC[C@@H](C)[N@@H+](CCCCO)C1 308473268 573007116 /nfs/dbraw/zinc/00/71/16/573007116.db2.gz KEFGGHFLPNIINQ-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[N@@H+](CCCF)Cc1ccco1 308221485 573007125 /nfs/dbraw/zinc/00/71/25/573007125.db2.gz LJPUTGNAXNUFGD-UHFFFAOYSA-N 1 1 185.242 2.461 10 0 AEAEMO COCCC[C@H](C)[N@@H+]1CC=CCC1 308473999 573007177 /nfs/dbraw/zinc/00/71/77/573007177.db2.gz LLYROGXIMIWYNE-NSHDSACASA-N 1 1 183.295 2.063 10 0 AEAEMO C[C@H](C[C@H]1CCCO1)[N@@H+](C)C1CC1 308220945 573007380 /nfs/dbraw/zinc/00/73/80/573007380.db2.gz CEWAWGLCCZIFBT-MWLCHTKSSA-N 1 1 183.295 2.038 10 0 AEAEMO CCC[N@@H+](CC(C)C)[C@H]1CCC[C@H]1N 308473138 573007533 /nfs/dbraw/zinc/00/75/33/573007533.db2.gz JKKNOZLRAOHQKW-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+](CC(C)C)[C@@H]1CCC[C@@H]1N 308473139 573007558 /nfs/dbraw/zinc/00/75/58/573007558.db2.gz JKKNOZLRAOHQKW-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[N@@H+](C)[C@@H](C)[C@@H]1CCCO1 308221769 573007599 /nfs/dbraw/zinc/00/75/99/573007599.db2.gz LLUBCSJSDSUHPZ-QWRGUYRKSA-N 1 1 185.311 2.286 10 0 AEAEMO CC1(C)[C@@H]2Cc3ccc(N)[nH+]c3[C@H]1C2 238251138 573007608 /nfs/dbraw/zinc/00/76/08/573007608.db2.gz XNROQYJKBMSYJD-RKDXNWHRSA-N 1 1 188.274 2.350 10 0 AEAEMO CC[C@H](O)C[N@H+]1C[C@H](CC)CC[C@@H]1C 308473193 573007665 /nfs/dbraw/zinc/00/76/65/573007665.db2.gz KAQULTCXIXPLBO-TUAOUCFPSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H]1CC[C@H](C)[N@@H+](CCCCO)C1 308473270 573007978 /nfs/dbraw/zinc/00/79/78/573007978.db2.gz KEFGGHFLPNIINQ-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CCc1nc([C@@H](C)[NH3+])oc1C(C)C 259598620 573008225 /nfs/dbraw/zinc/00/82/25/573008225.db2.gz CYBVUFVUTVFLOP-SSDOTTSWSA-N 1 1 182.267 2.380 10 0 AEAEMO COc1cccn2c(C(C)C)[nH+]cc12 258220347 573009192 /nfs/dbraw/zinc/00/91/92/573009192.db2.gz KWJYRQGTAHTXBR-UHFFFAOYSA-N 1 1 190.246 2.466 10 0 AEAEMO CCCc1nc([C@@H]2CCCC[NH2+]2)c[nH]1 238252324 573008382 /nfs/dbraw/zinc/00/83/82/573008382.db2.gz AAAFQGDJACNBOR-VIFPVBQESA-N 1 1 193.294 2.177 10 0 AEAEMO CCC(=O)CC[N@H+](C)C(CC)CC 308473819 573008411 /nfs/dbraw/zinc/00/84/11/573008411.db2.gz LKXXACMOBZOEBS-UHFFFAOYSA-N 1 1 185.311 2.476 10 0 AEAEMO CC[C@@H]1CCC[C@H]([N@H+]2CC[C@@H](O)C2)C1 85418356 573008416 /nfs/dbraw/zinc/00/84/16/573008416.db2.gz FTACYQZXWNXAJU-GRYCIOLGSA-N 1 1 197.322 2.022 10 0 AEAEMO CCc1nc([C@H](C)[NH3+])oc1C(C)C 259598634 573009226 /nfs/dbraw/zinc/00/92/26/573009226.db2.gz CYBVUFVUTVFLOP-ZETCQYMHSA-N 1 1 182.267 2.380 10 0 AEAEMO CCC[N@@H+](Cc1cc[nH]c1)C1CC1 308222265 573008789 /nfs/dbraw/zinc/00/87/89/573008789.db2.gz LRWYGGHRZQYBSL-UHFFFAOYSA-N 1 1 178.279 2.389 10 0 AEAEMO CC[C@H]1CCC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 85418362 573008958 /nfs/dbraw/zinc/00/89/58/573008958.db2.gz FTACYQZXWNXAJU-QJPTWQEYSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H]1CCCC[C@@H]1[N@H+]1CC[C@@H](O)C1 85418200 573009122 /nfs/dbraw/zinc/00/91/22/573009122.db2.gz USBXDEFMQYJWFT-UTUOFQBUSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCC[N@@H+](C)[C@H](C)[C@@H]1CCCO1 308221768 573009422 /nfs/dbraw/zinc/00/94/22/573009422.db2.gz LLUBCSJSDSUHPZ-MNOVXSKESA-N 1 1 185.311 2.286 10 0 AEAEMO CC[N@@H+](C(C)C)[C@@]1(CN)CCC1(C)C 308474736 573009688 /nfs/dbraw/zinc/00/96/88/573009688.db2.gz DDLGALHURKJUOM-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]1CCCC[C@H]1[N@H+]1CC[C@@H](O)C1 85418207 573010085 /nfs/dbraw/zinc/01/00/85/573010085.db2.gz USBXDEFMQYJWFT-QJPTWQEYSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCC[C@@H](C)C[N@H+]1CCCNCC1 238252240 573010392 /nfs/dbraw/zinc/01/03/92/573010392.db2.gz BIXMKMDMSSQSIR-GFCCVEGCSA-N 1 1 198.354 2.108 10 0 AEAEMO CCCC[C@@H](C)CN1CCC[NH2+]CC1 238252240 573010400 /nfs/dbraw/zinc/01/04/00/573010400.db2.gz BIXMKMDMSSQSIR-GFCCVEGCSA-N 1 1 198.354 2.108 10 0 AEAEMO CC(C)(C)C[N@H+]1CCC[C@@H](CCO)C1 128377585 573010543 /nfs/dbraw/zinc/01/05/43/573010543.db2.gz LDGAJPDSWDGKMN-NSHDSACASA-N 1 1 199.338 2.127 10 0 AEAEMO CCC[C@H]1C[N@@H+](C)[C@@H](CC(C)C)CN1 223826512 573010604 /nfs/dbraw/zinc/01/06/04/573010604.db2.gz STJPTXNNQMKSGO-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H]1CN(C)[C@@H](CC(C)C)C[NH2+]1 223826512 573010609 /nfs/dbraw/zinc/01/06/09/573010609.db2.gz STJPTXNNQMKSGO-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H](N)C[N@H+]1CC[C@H](C)C[C@H]1C 308475539 573011089 /nfs/dbraw/zinc/01/10/89/573011089.db2.gz KYBWFAMXUZRDMT-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H]([NH3+])CN1CC[C@H](C)C[C@H]1C 308475539 573011092 /nfs/dbraw/zinc/01/10/92/573011092.db2.gz KYBWFAMXUZRDMT-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CCCC[C@H]1[N@H+]1CC[C@@H](O)C1 85418204 573011097 /nfs/dbraw/zinc/01/10/97/573011097.db2.gz USBXDEFMQYJWFT-IJLUTSLNSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)(C)C[N@H+]1CCC[C@H](CCO)C1 128377346 573011955 /nfs/dbraw/zinc/01/19/55/573011955.db2.gz LDGAJPDSWDGKMN-LLVKDONJSA-N 1 1 199.338 2.127 10 0 AEAEMO CCC[C@@H]1C[N@@H+](C)[C@@H](CC(C)C)CN1 223826464 573012029 /nfs/dbraw/zinc/01/20/29/573012029.db2.gz STJPTXNNQMKSGO-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1CN(C)[C@@H](CC(C)C)C[NH2+]1 223826464 573012033 /nfs/dbraw/zinc/01/20/33/573012033.db2.gz STJPTXNNQMKSGO-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@H]1CCC[C@H]([N@H+]2CCC[C@H]2CO)C1 85397044 573012049 /nfs/dbraw/zinc/01/20/49/573012049.db2.gz QWKAECQQIDRAQA-SRVKXCTJSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)=CC[NH2+][C@H](C)c1ccon1 308224685 573012838 /nfs/dbraw/zinc/01/28/38/573012838.db2.gz DJOYRDLROXDWTD-SECBINFHSA-N 1 1 180.251 2.291 10 0 AEAEMO C[C@H]1CCC[C@H](C[NH2+]CC(C)(C)N)C1 308474069 573012193 /nfs/dbraw/zinc/01/21/93/573012193.db2.gz CXQHXNPCQXPHTE-QWRGUYRKSA-N 1 1 198.354 2.140 10 0 AEAEMO C[C@H]1CCC[C@@H](C[NH2+]CC(C)(C)N)C1 308474070 573012332 /nfs/dbraw/zinc/01/23/32/573012332.db2.gz CXQHXNPCQXPHTE-WDEREUQCSA-N 1 1 198.354 2.140 10 0 AEAEMO CCCC[N@@H+](C)C1(CO)CCCC1 308474776 573012488 /nfs/dbraw/zinc/01/24/88/573012488.db2.gz LPHBGMOPLQRRSI-UHFFFAOYSA-N 1 1 185.311 2.023 10 0 AEAEMO C[C@@H]1CCC[C@@H]([N@H+]2CCC[C@H]2CO)C1 85397046 573012626 /nfs/dbraw/zinc/01/26/26/573012626.db2.gz QWKAECQQIDRAQA-UTUOFQBUSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1CCC[C@@H](C[NH2+]CC(C)(C)N)C1 308474067 573013063 /nfs/dbraw/zinc/01/30/63/573013063.db2.gz CXQHXNPCQXPHTE-GHMZBOCLSA-N 1 1 198.354 2.140 10 0 AEAEMO C[C@H]1CCC[C@@H]([N@H+]2CCC[C@H]2CO)C1 85397047 573013019 /nfs/dbraw/zinc/01/30/19/573013019.db2.gz QWKAECQQIDRAQA-TUAOUCFPSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)[N@@H+](C[C@@H](C)O)CC(C)(C)C 128387189 573013234 /nfs/dbraw/zinc/01/32/34/573013234.db2.gz LLBYVZKVAGGMSG-SNVBAGLBSA-N 1 1 187.327 2.124 10 0 AEAEMO CC(C)[N@@H+](C[C@H](C)O)CC(C)(C)C 128387392 573013854 /nfs/dbraw/zinc/01/38/54/573013854.db2.gz LLBYVZKVAGGMSG-JTQLQIEISA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@H](C)[NH2+]CC[C@H]1CCCCN1C 49633066 573013864 /nfs/dbraw/zinc/01/38/64/573013864.db2.gz JNMROHBIDQFJHE-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H]1CCC[C@H]([N@H+]2CC[C@@H](O)C2)C1 85418357 573013944 /nfs/dbraw/zinc/01/39/44/573013944.db2.gz FTACYQZXWNXAJU-SDDRHHMPSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC1(C[NH2+][C@H](C)[C@H](C)N)CCCC1 308475605 573014660 /nfs/dbraw/zinc/01/46/60/573014660.db2.gz DPQYBDJARPVZHX-WDEREUQCSA-N 1 1 198.354 2.282 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CC[C@@H](C)[C@@H]1CO 308480134 573014727 /nfs/dbraw/zinc/01/47/27/573014727.db2.gz MLLKEGQUEVBVIS-WOPDTQHZSA-N 1 1 199.338 2.124 10 0 AEAEMO CC[C@@H](C)[N@H+](CC)CC1(NC)CCC1 308475640 573014784 /nfs/dbraw/zinc/01/47/84/573014784.db2.gz JFGDDOUAZCVGAE-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)CC1(NC)CCC1 308475640 573014789 /nfs/dbraw/zinc/01/47/89/573014789.db2.gz JFGDDOUAZCVGAE-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CC[C@H](C)[C@@H]1CO 308480132 573015130 /nfs/dbraw/zinc/01/51/30/573015130.db2.gz MLLKEGQUEVBVIS-SRVKXCTJSA-N 1 1 199.338 2.124 10 0 AEAEMO CCC1(C[NH2+][C@H](C)[C@@H](C)N)CCCC1 308475602 573015385 /nfs/dbraw/zinc/01/53/85/573015385.db2.gz DPQYBDJARPVZHX-GHMZBOCLSA-N 1 1 198.354 2.282 10 0 AEAEMO CC[C@H](C)[NH2+]CC[C@@H]1CCCCN1C 49633064 573015582 /nfs/dbraw/zinc/01/55/82/573015582.db2.gz JNMROHBIDQFJHE-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C)[NH2+][C@H]1CCCc2[nH]ncc21 306997272 573015688 /nfs/dbraw/zinc/01/56/88/573015688.db2.gz VQDADDMRDBLIJQ-WPRPVWTQSA-N 1 1 193.294 2.175 10 0 AEAEMO CCC1(C[NH2+][C@@H](C)[C@@H](C)N)CCCC1 308475603 573016195 /nfs/dbraw/zinc/01/61/95/573016195.db2.gz DPQYBDJARPVZHX-MNOVXSKESA-N 1 1 198.354 2.282 10 0 AEAEMO CC[C@@H](C)[NH2+]CC[C@H]1CCCCN1C 49633065 573015851 /nfs/dbraw/zinc/01/58/51/573015851.db2.gz JNMROHBIDQFJHE-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCc1nc([C@H]2CCCC[NH2+]2)c[nH]1 238252581 573015884 /nfs/dbraw/zinc/01/58/84/573015884.db2.gz AAAFQGDJACNBOR-SECBINFHSA-N 1 1 193.294 2.177 10 0 AEAEMO C[C@H]([NH3+])c1nc([C@H]2CCCS2)co1 258224539 573015983 /nfs/dbraw/zinc/01/59/83/573015983.db2.gz YVEWAZSCTSRREK-POYBYMJQSA-N 1 1 198.291 2.262 10 0 AEAEMO CCC1(C[NH2+][C@@H](C)[C@H](C)N)CCCC1 308475604 573016397 /nfs/dbraw/zinc/01/63/97/573016397.db2.gz DPQYBDJARPVZHX-QWRGUYRKSA-N 1 1 198.354 2.282 10 0 AEAEMO CCC[C@H]1C[C@H]1[NH2+]C[C@H](N)CC(C)C 308475990 573016445 /nfs/dbraw/zinc/01/64/45/573016445.db2.gz LDFSPTRZALZWSH-QJPTWQEYSA-N 1 1 198.354 2.138 10 0 AEAEMO C[C@H]([NH3+])c1nc([C@@H]2CCCS2)co1 258224546 573016698 /nfs/dbraw/zinc/01/66/98/573016698.db2.gz YVEWAZSCTSRREK-XPUUQOCRSA-N 1 1 198.291 2.262 10 0 AEAEMO CCC[C@H]1C[C@@H]1[NH2+]C[C@H](N)CC(C)C 308475992 573016721 /nfs/dbraw/zinc/01/67/21/573016721.db2.gz LDFSPTRZALZWSH-TUAOUCFPSA-N 1 1 198.354 2.138 10 0 AEAEMO CC(C)=CC[NH2+][C@@H](C)c1ccon1 308224686 573016746 /nfs/dbraw/zinc/01/67/46/573016746.db2.gz DJOYRDLROXDWTD-VIFPVBQESA-N 1 1 180.251 2.291 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CC[C@H](C)[C@H]1CO 308480129 573016844 /nfs/dbraw/zinc/01/68/44/573016844.db2.gz MLLKEGQUEVBVIS-SDDRHHMPSA-N 1 1 199.338 2.124 10 0 AEAEMO C[C@@H]([NH3+])c1nc([C@@H]2CCCS2)co1 258224542 573016856 /nfs/dbraw/zinc/01/68/56/573016856.db2.gz YVEWAZSCTSRREK-SVRRBLITSA-N 1 1 198.291 2.262 10 0 AEAEMO CC[C@@H](CN)[N@@H+](C)[C@@H]1CCCC[C@@H]1C 42606819 573016860 /nfs/dbraw/zinc/01/68/60/573016860.db2.gz OVQCRIOVQNNSAO-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCC[N@H+]1CCOCC[C@@H]1C 308223427 573017114 /nfs/dbraw/zinc/01/71/14/573017114.db2.gz MERRROXGAWDRKQ-NSHDSACASA-N 1 1 185.311 2.287 10 0 AEAEMO CC[C@@H](C)[NH2+]CC[C@@H]1CCCCN1C 49633063 573017202 /nfs/dbraw/zinc/01/72/02/573017202.db2.gz JNMROHBIDQFJHE-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[N@H+](CC(C)C)CC1(NC)CCC1 308475825 573017521 /nfs/dbraw/zinc/01/75/21/573017521.db2.gz JLEQSHICWPYKEB-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[N@@H+](CC(C)C)CC1(NC)CCC1 308475825 573017526 /nfs/dbraw/zinc/01/75/26/573017526.db2.gz JLEQSHICWPYKEB-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H](C/C=C\CO)C1 258223990 573017854 /nfs/dbraw/zinc/01/78/54/573017854.db2.gz PCPXZIAAOZOABB-MVZIDQBPSA-N 1 1 197.322 2.045 10 0 AEAEMO CCCC[N@@H+](C)[C@H]1CCC[C@]1(C)O 308227282 573017993 /nfs/dbraw/zinc/01/79/93/573017993.db2.gz RFLPQBSKRKULMG-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO CCCCC[C@@](C)(CN)[NH+]1CCCC1 82390068 573018081 /nfs/dbraw/zinc/01/80/81/573018081.db2.gz BDEHQDGNQBBVAL-LBPRGKRZSA-N 1 1 198.354 2.380 10 0 AEAEMO CC[C@@H](C)[NH2+][C@@H]1CCCc2[nH]ncc21 306997269 573018476 /nfs/dbraw/zinc/01/84/76/573018476.db2.gz VQDADDMRDBLIJQ-PSASIEDQSA-N 1 1 193.294 2.175 10 0 AEAEMO C[C@@H]([NH3+])c1nc([C@H]2CCCS2)co1 258224537 573018848 /nfs/dbraw/zinc/01/88/48/573018848.db2.gz YVEWAZSCTSRREK-HTRCEHHLSA-N 1 1 198.291 2.262 10 0 AEAEMO C/C=C\C[N@@H+](CCCC)CCOC 308484115 573020348 /nfs/dbraw/zinc/02/03/48/573020348.db2.gz OHTLGBAGTPPLAX-XQRVVYSFSA-N 1 1 185.311 2.311 10 0 AEAEMO CC[N@@H+](CC1CC1)[C@@H]1CCC[C@@]1(C)O 308484370 573020390 /nfs/dbraw/zinc/02/03/90/573020390.db2.gz KTAXPCNFCBXPHS-VXGBXAGGSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCC[N@@H+](C)[C@@H]1CCC[C@@]1(C)O 308227280 573021245 /nfs/dbraw/zinc/02/12/45/573021245.db2.gz RFLPQBSKRKULMG-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO CCCC[N@@H+](C)[C@H]1CCC[C@@]1(C)O 308227283 573021444 /nfs/dbraw/zinc/02/14/44/573021444.db2.gz RFLPQBSKRKULMG-WDEREUQCSA-N 1 1 185.311 2.022 10 0 AEAEMO CCCC[N@H+](CC)CC1(NC)CCC1 308483227 573022387 /nfs/dbraw/zinc/02/23/87/573022387.db2.gz MLCIWOFIBBAPGK-UHFFFAOYSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCC[N@@H+](CC)CC1(NC)CCC1 308483227 573022391 /nfs/dbraw/zinc/02/23/91/573022391.db2.gz MLCIWOFIBBAPGK-UHFFFAOYSA-N 1 1 198.354 2.251 10 0 AEAEMO CC(C)[N@H+]1CCC=C(CC(C)(C)O)C1 257924460 573022522 /nfs/dbraw/zinc/02/25/22/573022522.db2.gz CGUBPZZLIHXXGJ-UHFFFAOYSA-N 1 1 197.322 2.188 10 0 AEAEMO CC[N@@H+](CC1CC1)[C@H]1CCC[C@]1(C)O 308484366 573022672 /nfs/dbraw/zinc/02/26/72/573022672.db2.gz KTAXPCNFCBXPHS-RYUDHWBXSA-N 1 1 197.322 2.022 10 0 AEAEMO Cn1cccc1C[N@H+](C)C/C=C/Cl 308482976 573022727 /nfs/dbraw/zinc/02/27/27/573022727.db2.gz NXRBVBHFDSFHAZ-GQCTYLIASA-N 1 1 198.697 2.209 10 0 AEAEMO Cn1cccc1C[N@@H+](C)C/C=C/Cl 308482976 573022734 /nfs/dbraw/zinc/02/27/34/573022734.db2.gz NXRBVBHFDSFHAZ-GQCTYLIASA-N 1 1 198.697 2.209 10 0 AEAEMO CC[N@H+]1c2ccc(N)cc2CC[C@H]1C 113689636 573023947 /nfs/dbraw/zinc/02/39/47/573023947.db2.gz POSRGSWALZIWLE-SECBINFHSA-N 1 1 190.290 2.430 10 0 AEAEMO CC[N@@H+]1c2ccc(N)cc2CC[C@H]1C 113689636 573023950 /nfs/dbraw/zinc/02/39/50/573023950.db2.gz POSRGSWALZIWLE-SECBINFHSA-N 1 1 190.290 2.430 10 0 AEAEMO C[N@@H+](CCSCC1CC1)CC1CC1 308477367 573024234 /nfs/dbraw/zinc/02/42/34/573024234.db2.gz MFYXZLYGBNGQOZ-UHFFFAOYSA-N 1 1 199.363 2.471 10 0 AEAEMO CC[N@@H+]1CC=C(CCC(C)=O)CC1 258227366 573024386 /nfs/dbraw/zinc/02/43/86/573024386.db2.gz WEJKZTIHAYYJHS-UHFFFAOYSA-N 1 1 181.279 2.008 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)C[C@@H](N)CC1CC1 308478890 573024525 /nfs/dbraw/zinc/02/45/25/573024525.db2.gz LYPGCERNJVGEKW-JQWIXIFHSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@H](C)N(C)C[C@@H]([NH3+])CC1CC1 308478890 573024532 /nfs/dbraw/zinc/02/45/32/573024532.db2.gz LYPGCERNJVGEKW-JQWIXIFHSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[N@@H+](CCCC(C)C)C[C@H](C)O 308228608 573025205 /nfs/dbraw/zinc/02/52/05/573025205.db2.gz NWIBZXBCEQHKAR-NSHDSACASA-N 1 1 187.327 2.125 10 0 AEAEMO Cc1[nH+]c2c(Cl)c(N)ccc2n1C 45238280 573025601 /nfs/dbraw/zinc/02/56/01/573025601.db2.gz XSIQKUXRVKPILQ-UHFFFAOYSA-N 1 1 195.653 2.117 10 0 AEAEMO COCCC[C@H](C)[N@H+]1CC[C@@H](C)C1 308477410 573025614 /nfs/dbraw/zinc/02/56/14/573025614.db2.gz MILDYMCNOOOLEZ-MNOVXSKESA-N 1 1 185.311 2.143 10 0 AEAEMO COCCC[C@@H](C)[N@@H+](C)CC(C)C 308477396 573025636 /nfs/dbraw/zinc/02/56/36/573025636.db2.gz MHQMQWOXJGNGOQ-LLVKDONJSA-N 1 1 187.327 2.389 10 0 AEAEMO CCC[N@@H+](CC(C)C)[C@H]1CCCC1=O 308478484 573025735 /nfs/dbraw/zinc/02/57/35/573025735.db2.gz LMFPSFBIIQIKQZ-NSHDSACASA-N 1 1 197.322 2.476 10 0 AEAEMO CCCC[N@@H+](C[C@@H](C)N)[C@@H](C)CC 42607066 573025812 /nfs/dbraw/zinc/02/58/12/573025812.db2.gz RTRMSCKLWLJZRN-MNOVXSKESA-N 1 1 186.343 2.234 10 0 AEAEMO COCCC[C@H](C)[N@@H+](C)CC(C)C 308477397 573025816 /nfs/dbraw/zinc/02/58/16/573025816.db2.gz MHQMQWOXJGNGOQ-NSHDSACASA-N 1 1 187.327 2.389 10 0 AEAEMO CCCC[C@H](CC)[N@H+]1CC[C@@H](N)[C@@H]1C 308477453 573025945 /nfs/dbraw/zinc/02/59/45/573025945.db2.gz FHDKUQDOHBNSSD-SDDRHHMPSA-N 1 1 198.354 2.377 10 0 AEAEMO CCCC[C@H](CC)[N@H+]1CC[C@@H](N)[C@H]1C 308477452 573025984 /nfs/dbraw/zinc/02/59/84/573025984.db2.gz FHDKUQDOHBNSSD-GRYCIOLGSA-N 1 1 198.354 2.377 10 0 AEAEMO CCC[C@@H](N)C[N@H+]1CC[C@H](C)[C@@H](C)C1 308478357 573026363 /nfs/dbraw/zinc/02/63/63/573026363.db2.gz LULBDZFNYBDAII-SDDRHHMPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@@H]([NH3+])CN1CC[C@H](C)[C@@H](C)C1 308478357 573026370 /nfs/dbraw/zinc/02/63/70/573026370.db2.gz LULBDZFNYBDAII-SDDRHHMPSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)C[C@@H](N)CC1CC1 308478893 573026426 /nfs/dbraw/zinc/02/64/26/573026426.db2.gz LYPGCERNJVGEKW-PWSUYJOCSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@@H](C)N(C)C[C@@H]([NH3+])CC1CC1 308478893 573026434 /nfs/dbraw/zinc/02/64/34/573026434.db2.gz LYPGCERNJVGEKW-PWSUYJOCSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)C[C@H](N)CC1CC1 308478888 573026454 /nfs/dbraw/zinc/02/64/54/573026454.db2.gz LYPGCERNJVGEKW-CMPLNLGQSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@H](C)N(C)C[C@H]([NH3+])CC1CC1 308478888 573026462 /nfs/dbraw/zinc/02/64/62/573026462.db2.gz LYPGCERNJVGEKW-CMPLNLGQSA-N 1 1 198.354 2.090 10 0 AEAEMO COCCC[C@H](C)[N@H+]1CC[C@H](C)C1 308477411 573026575 /nfs/dbraw/zinc/02/65/75/573026575.db2.gz MILDYMCNOOOLEZ-QWRGUYRKSA-N 1 1 185.311 2.143 10 0 AEAEMO CCN(c1[nH+]cc(C)cc1N)C(C)C 85425204 573026631 /nfs/dbraw/zinc/02/66/31/573026631.db2.gz GIJOLFIBNYFQMY-UHFFFAOYSA-N 1 1 193.294 2.207 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)C[C@H](N)CC1CC1 308478896 573026730 /nfs/dbraw/zinc/02/67/30/573026730.db2.gz LYPGCERNJVGEKW-ZYHUDNBSSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@@H](C)N(C)C[C@H]([NH3+])CC1CC1 308478896 573026737 /nfs/dbraw/zinc/02/67/37/573026737.db2.gz LYPGCERNJVGEKW-ZYHUDNBSSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC[C@@H](N)C[N@H+]1CC[C@@H](C)[C@H](C)C1 308478356 573026871 /nfs/dbraw/zinc/02/68/71/573026871.db2.gz LULBDZFNYBDAII-IJLUTSLNSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@@H]([NH3+])CN1CC[C@@H](C)[C@H](C)C1 308478356 573026878 /nfs/dbraw/zinc/02/68/78/573026878.db2.gz LULBDZFNYBDAII-IJLUTSLNSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CCC[C@H]([N@@H+]2CCC(=O)C2)CC1 235684303 573026949 /nfs/dbraw/zinc/02/69/49/573026949.db2.gz KUBFMVMCJZNQBE-QWRGUYRKSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@H]1CCC[C@H]([N@H+]2CCC(=O)C2)CC1 235684303 573026964 /nfs/dbraw/zinc/02/69/64/573026964.db2.gz KUBFMVMCJZNQBE-QWRGUYRKSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@H]1CNCC[C@@H]1C 85439993 573027855 /nfs/dbraw/zinc/02/78/55/573027855.db2.gz FWLWRHLQLRWENE-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(C)(C)N(C)[C@H]1C[NH2+]CC[C@@H]1C 85439993 573027857 /nfs/dbraw/zinc/02/78/57/573027857.db2.gz FWLWRHLQLRWENE-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO COCCC[C@@H](C)[N@H+]1CC[C@@H](C)C1 308477409 573028296 /nfs/dbraw/zinc/02/82/96/573028296.db2.gz MILDYMCNOOOLEZ-GHMZBOCLSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[C@H]1Cc2ccc[nH+]c2N1 238248186 573028301 /nfs/dbraw/zinc/02/83/01/573028301.db2.gz BEHDPWDZRQPRIL-VIFPVBQESA-N 1 1 162.236 2.218 10 0 AEAEMO CCC(CC)[N@H+]1CCN[C@@H](CC)CC1 49661542 573028336 /nfs/dbraw/zinc/02/83/36/573028336.db2.gz AIBYVTNIMOMCKQ-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@@H]1CNCC[C@@H]1C 85439991 573028337 /nfs/dbraw/zinc/02/83/37/573028337.db2.gz FWLWRHLQLRWENE-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(CC)N1CC[NH2+][C@@H](CC)CC1 49661542 573028343 /nfs/dbraw/zinc/02/83/43/573028343.db2.gz AIBYVTNIMOMCKQ-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(C)(C)N(C)[C@@H]1C[NH2+]CC[C@@H]1C 85439991 573028346 /nfs/dbraw/zinc/02/83/46/573028346.db2.gz FWLWRHLQLRWENE-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@@H+](CCCC(C)C)C[C@@H](C)O 308228607 573028478 /nfs/dbraw/zinc/02/84/78/573028478.db2.gz NWIBZXBCEQHKAR-LLVKDONJSA-N 1 1 187.327 2.125 10 0 AEAEMO CC[N@H+](C)Cc1ncoc1C(C)C 308230780 573029465 /nfs/dbraw/zinc/02/94/65/573029465.db2.gz OOTJKRYLIMJUAY-UHFFFAOYSA-N 1 1 182.267 2.250 10 0 AEAEMO CC[N@@H+](C)Cc1ncoc1C(C)C 308230780 573029472 /nfs/dbraw/zinc/02/94/72/573029472.db2.gz OOTJKRYLIMJUAY-UHFFFAOYSA-N 1 1 182.267 2.250 10 0 AEAEMO CCCC[N@H+]1CCC[NH2+][C@@H](CC)CC1 49663221 573029587 /nfs/dbraw/zinc/02/95/87/573029587.db2.gz ICIZBSGRFRJCBG-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CC[C@@H](C)[C@@H](C)[N@H+]1CCN[C@@H](C)CC1 49662393 573029787 /nfs/dbraw/zinc/02/97/87/573029787.db2.gz NFYIRWRPSAAALV-GRYCIOLGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCNc1cccn2cc[nH+]c12 238248351 573030590 /nfs/dbraw/zinc/03/05/90/573030590.db2.gz KVSMSULPHRYIIB-UHFFFAOYSA-N 1 1 175.235 2.156 10 0 AEAEMO CCCC[N@H+]1CCC[NH2+][C@H](CC)CC1 49663219 573030493 /nfs/dbraw/zinc/03/04/93/573030493.db2.gz ICIZBSGRFRJCBG-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO Cc1ccncc1[C@H]([NH3+])c1ccco1 85441442 573030658 /nfs/dbraw/zinc/03/06/58/573030658.db2.gz AVTVOLMBXLXMGT-NSHDSACASA-N 1 1 188.230 2.031 10 0 AEAEMO CCC(CC)[N@H+]1CCN[C@H](CC)CC1 49661540 573030823 /nfs/dbraw/zinc/03/08/23/573030823.db2.gz AIBYVTNIMOMCKQ-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)N1CC[NH2+][C@H](CC)CC1 49661540 573030831 /nfs/dbraw/zinc/03/08/31/573030831.db2.gz AIBYVTNIMOMCKQ-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](C)c1ccc[nH+]c1N 82408329 573031008 /nfs/dbraw/zinc/03/10/08/573031008.db2.gz NAJCSFDBNLLBHQ-SSDOTTSWSA-N 1 1 150.225 2.177 10 0 AEAEMO Cc1ccncc1[C@@H]([NH3+])c1ccco1 85441444 573031268 /nfs/dbraw/zinc/03/12/68/573031268.db2.gz AVTVOLMBXLXMGT-LLVKDONJSA-N 1 1 188.230 2.031 10 0 AEAEMO CC[C@@H](C)[C@H](C)[N@H+]1CCN[C@@H](C)CC1 49662397 573032859 /nfs/dbraw/zinc/03/28/59/573032859.db2.gz NFYIRWRPSAAALV-WOPDTQHZSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCCC[N@H+]1CC[NH2+][C@H](CC)CC1 49661080 573032882 /nfs/dbraw/zinc/03/28/82/573032882.db2.gz PFIBTOJGWFJUJT-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCN1CC[NH2+][C@H](CC)CC1 49661080 573032890 /nfs/dbraw/zinc/03/28/90/573032890.db2.gz PFIBTOJGWFJUJT-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCC[N@@H+](C)[C@@H]1CCCOCC1 308232562 573033501 /nfs/dbraw/zinc/03/35/01/573033501.db2.gz PKSBICPJNVBHLC-LLVKDONJSA-N 1 1 185.311 2.287 10 0 AEAEMO CC[C@@H](C)[N@@H+]1CCC[C@H](NC)C1(C)C 259317732 573034436 /nfs/dbraw/zinc/03/44/36/573034436.db2.gz IDWTXNJKUHKVGO-MNOVXSKESA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCC[C@H](NC)C1(C)C 259317732 573034441 /nfs/dbraw/zinc/03/44/41/573034441.db2.gz IDWTXNJKUHKVGO-MNOVXSKESA-N 1 1 198.354 2.247 10 0 AEAEMO CCCCCC[N@H+]1CCO[C@H]2C[C@H]21 308232576 573034702 /nfs/dbraw/zinc/03/47/02/573034702.db2.gz PLNLUTUVEWYCAW-MNOVXSKESA-N 1 1 183.295 2.040 10 0 AEAEMO CC[N@H+]1CCC[C@@H]1C1([NH3+])CCCCC1 257925471 573034817 /nfs/dbraw/zinc/03/48/17/573034817.db2.gz GQLRLGJUMQPWHI-LLVKDONJSA-N 1 1 196.338 2.132 10 0 AEAEMO CCCC[C@@H](C)[N@H+]1CCC[C@@H](O)C1 308486545 573035092 /nfs/dbraw/zinc/03/50/92/573035092.db2.gz PIYCCTJKSGHTPK-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO c1cc2c(N3CCCC3)cc[nH+]c2[nH]1 141785695 573035745 /nfs/dbraw/zinc/03/57/45/573035745.db2.gz BMRINTSNEGBJJM-UHFFFAOYSA-N 1 1 187.246 2.163 10 0 AEAEMO CCCC[C@@H](C)[N@H+]1CCC[C@H](O)C1 308486548 573035372 /nfs/dbraw/zinc/03/53/72/573035372.db2.gz PIYCCTJKSGHTPK-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO CCCCCC[N@H+]1CCO[C@@H]2C[C@@H]21 308232578 573035472 /nfs/dbraw/zinc/03/54/72/573035472.db2.gz PLNLUTUVEWYCAW-WDEREUQCSA-N 1 1 183.295 2.040 10 0 AEAEMO C[C@@H](O)C[C@@H]1CCC[N@H+]1CC(C)(C)C 128438745 573035643 /nfs/dbraw/zinc/03/56/43/573035643.db2.gz SHXQRGQIXKNUJG-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO CCCC[C@H](C)[N@H+]1CCC[C@H](O)C1 308486552 573035829 /nfs/dbraw/zinc/03/58/29/573035829.db2.gz PIYCCTJKSGHTPK-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@@H](C)[N@@H+]1CCC[C@@H](NC)C1(C)C 259317728 573035895 /nfs/dbraw/zinc/03/58/95/573035895.db2.gz IDWTXNJKUHKVGO-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCC[C@@H](NC)C1(C)C 259317728 573035900 /nfs/dbraw/zinc/03/59/00/573035900.db2.gz IDWTXNJKUHKVGO-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO CCCC[N@@H+](C)[C@H]1CCCOCC1 308232563 573035956 /nfs/dbraw/zinc/03/59/56/573035956.db2.gz PKSBICPJNVBHLC-NSHDSACASA-N 1 1 185.311 2.287 10 0 AEAEMO CC[N@H+]1CCC[C@H]1C1([NH3+])CCCCC1 257925472 573036828 /nfs/dbraw/zinc/03/68/28/573036828.db2.gz GQLRLGJUMQPWHI-NSHDSACASA-N 1 1 196.338 2.132 10 0 AEAEMO C[C@H]1CCCC[C@H]1[N@H+](C)[C@@H](C)[C@@H](C)N 42607345 573036577 /nfs/dbraw/zinc/03/65/77/573036577.db2.gz QZWZSAZFLFDBHP-WHOHXGKFSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)(C)C[N@@H+](CCCCO)C1CC1 128412694 573037433 /nfs/dbraw/zinc/03/74/33/573037433.db2.gz JRMXPKCCVHQAJN-UHFFFAOYSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H](C)[N@@H+]1CCC[C@H](NC)C1(C)C 259317735 573037514 /nfs/dbraw/zinc/03/75/14/573037514.db2.gz IDWTXNJKUHKVGO-QWRGUYRKSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC[C@H](NC)C1(C)C 259317735 573037519 /nfs/dbraw/zinc/03/75/19/573037519.db2.gz IDWTXNJKUHKVGO-QWRGUYRKSA-N 1 1 198.354 2.247 10 0 AEAEMO CCCC[C@H](C)[N@H+]1CCC[C@@H](O)C1 308486556 573037647 /nfs/dbraw/zinc/03/76/47/573037647.db2.gz PIYCCTJKSGHTPK-WDEREUQCSA-N 1 1 185.311 2.022 10 0 AEAEMO CCCC[C@H]1CC[C@@]2(C)NCC[N@@H+]2C1 238250286 573038285 /nfs/dbraw/zinc/03/82/85/573038285.db2.gz WKYCDHSHLIJNJA-RYUDHWBXSA-N 1 1 196.338 2.208 10 0 AEAEMO C[C@@H](O)C[C@H]1CCC[N@H+]1CC(C)(C)C 128439192 573038158 /nfs/dbraw/zinc/03/81/58/573038158.db2.gz SHXQRGQIXKNUJG-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](O)C[N@@H+](C)C1(C)CCCC1 308237416 573038719 /nfs/dbraw/zinc/03/87/19/573038719.db2.gz RGICIWVJQBNWFC-JTQLQIEISA-N 1 1 185.311 2.022 10 0 AEAEMO C[C@H](O)C[C@H]1CCC[N@H+]1CC(C)(C)C 128438991 573038933 /nfs/dbraw/zinc/03/89/33/573038933.db2.gz SHXQRGQIXKNUJG-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@H+](C)Cc1ncc(C2CC2)o1 308233337 573039572 /nfs/dbraw/zinc/03/95/72/573039572.db2.gz PVDNGIYRSMBURV-UHFFFAOYSA-N 1 1 180.251 2.004 10 0 AEAEMO CC[PH+](CC)[C@H](C)C(C)=O 238262367 573039577 /nfs/dbraw/zinc/03/95/77/573039577.db2.gz UHPFCGXMXXDLGN-MRVPVSSYSA-N 1 1 160.197 2.486 10 0 AEAEMO CC[N@@H+](C)Cc1ncc(C2CC2)o1 308233337 573039578 /nfs/dbraw/zinc/03/95/78/573039578.db2.gz PVDNGIYRSMBURV-UHFFFAOYSA-N 1 1 180.251 2.004 10 0 AEAEMO C[C@H](O)C[C@@H]1CCC[N@H+]1CC(C)(C)C 128438584 573039612 /nfs/dbraw/zinc/03/96/12/573039612.db2.gz SHXQRGQIXKNUJG-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCC[C@H]1CC[C@]2(C)NCC[N@H+]2C1 238250344 573040043 /nfs/dbraw/zinc/04/00/43/573040043.db2.gz WKYCDHSHLIJNJA-NWDGAFQWSA-N 1 1 196.338 2.208 10 0 AEAEMO CC(C)CCN1CCCC[NH2+][C@@H](C)C1 259317836 573040702 /nfs/dbraw/zinc/04/07/02/573040702.db2.gz IEHQFFKWNXEEBE-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO C/C=C/Cn1c[nH+]c(C)c1C 123477918 573041270 /nfs/dbraw/zinc/04/12/70/573041270.db2.gz KMENRPHDQBEBIK-SNAWJCMRSA-N 1 1 150.225 2.076 10 0 AEAEMO CCC[C@@H]1C[C@H]1[NH2+]CC1(N)CCCC1 233305904 573042760 /nfs/dbraw/zinc/04/27/60/573042760.db2.gz ADZQMBRLPVZLSD-GHMZBOCLSA-N 1 1 196.338 2.036 10 0 AEAEMO CC[C@@H](COC)[N@H+]1CCC[C@@H](C)C1 308248409 573043740 /nfs/dbraw/zinc/04/37/40/573043740.db2.gz ZIGXZFVUIFEYIO-MNOVXSKESA-N 1 1 185.311 2.143 10 0 AEAEMO CC[N@@H+](CCC(C)C)[C@H](C)COC 308247979 573044457 /nfs/dbraw/zinc/04/44/57/573044457.db2.gz YNRUVFUXNUWBAG-LLVKDONJSA-N 1 1 187.327 2.389 10 0 AEAEMO CC[C@H]1CCC[N@H+]1C(C)C 113887643 573044470 /nfs/dbraw/zinc/04/44/70/573044470.db2.gz CXWZCDMNULDCJQ-VIFPVBQESA-N 1 1 141.258 2.269 10 0 AEAEMO CCCC[N@@H+](C)[C@H](C)CCCCO 308247994 573044503 /nfs/dbraw/zinc/04/45/03/573044503.db2.gz YOWAYYZWMZLKAF-LLVKDONJSA-N 1 1 187.327 2.269 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)[C@H](C)COC 308247428 573044593 /nfs/dbraw/zinc/04/45/93/573044593.db2.gz XNRUOAXCPCQXPP-WDEREUQCSA-N 1 1 187.327 2.389 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)[C@H](C)COC 308247425 573045003 /nfs/dbraw/zinc/04/50/03/573045003.db2.gz XNRUOAXCPCQXPP-GHMZBOCLSA-N 1 1 187.327 2.389 10 0 AEAEMO C/C=C\C[N@H+](CCO)CCCCC 308247496 573045300 /nfs/dbraw/zinc/04/53/00/573045300.db2.gz XQXHULNLVGDDHN-XQRVVYSFSA-N 1 1 185.311 2.047 10 0 AEAEMO C/C=C/C[N@H+](CCC)CC(C)(C)O 308486897 573045310 /nfs/dbraw/zinc/04/53/10/573045310.db2.gz PMAFNYISXWKZLH-FNORWQNLSA-N 1 1 185.311 2.045 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)[C@@H](C)COC 308247426 573046952 /nfs/dbraw/zinc/04/69/52/573046952.db2.gz XNRUOAXCPCQXPP-MNOVXSKESA-N 1 1 187.327 2.389 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)[C@@H](C)COC 308247427 573045542 /nfs/dbraw/zinc/04/55/42/573045542.db2.gz XNRUOAXCPCQXPP-QWRGUYRKSA-N 1 1 187.327 2.389 10 0 AEAEMO CC[C@@H](COC)[N@H+]1CCC[C@H](C)C1 308248410 573045615 /nfs/dbraw/zinc/04/56/15/573045615.db2.gz ZIGXZFVUIFEYIO-QWRGUYRKSA-N 1 1 185.311 2.143 10 0 AEAEMO CC(C)c1[nH+]c(N)[nH]c1C(C)(C)C 257934599 573045867 /nfs/dbraw/zinc/04/58/67/573045867.db2.gz UCIGOAQRYWDYHH-UHFFFAOYSA-N 1 1 181.283 2.413 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC[C@@H](NC)C1(C)C 259317740 573046922 /nfs/dbraw/zinc/04/69/22/573046922.db2.gz IDWTXNJKUHKVGO-WDEREUQCSA-N 1 1 198.354 2.247 10 0 AEAEMO CC1(C)[NH2+]C[C@@]1(F)c1ccccc1 238258205 573047158 /nfs/dbraw/zinc/04/71/58/573047158.db2.gz IMQJVCSLSRMSSK-LLVKDONJSA-N 1 1 179.238 2.233 10 0 AEAEMO CC[N@@H+](CCC(C)C)[C@@H](C)COC 308247980 573047174 /nfs/dbraw/zinc/04/71/74/573047174.db2.gz YNRUVFUXNUWBAG-NSHDSACASA-N 1 1 187.327 2.389 10 0 AEAEMO C[NH2+]CC(F)(F)Cc1cccc(C)c1 257932517 573047397 /nfs/dbraw/zinc/04/73/97/573047397.db2.gz ZYUWRBQMNNEYIC-UHFFFAOYSA-N 1 1 199.244 2.392 10 0 AEAEMO C/C=C\C[N@H+](CCC)CC(C)(C)O 308486896 573047501 /nfs/dbraw/zinc/04/75/01/573047501.db2.gz PMAFNYISXWKZLH-ALCCZGGFSA-N 1 1 185.311 2.045 10 0 AEAEMO CC[C@H](COC)[N@H+]1CCC[C@H](C)C1 308248411 573047791 /nfs/dbraw/zinc/04/77/91/573047791.db2.gz ZIGXZFVUIFEYIO-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO C/C=C/C[N@H+](CCO)CCCCC 308247495 573047957 /nfs/dbraw/zinc/04/79/57/573047957.db2.gz XQXHULNLVGDDHN-GQCTYLIASA-N 1 1 185.311 2.047 10 0 AEAEMO CC[C@@H]1CNc2ccc(C)[nH+]c2N1C 88037085 573047766 /nfs/dbraw/zinc/04/77/66/573047766.db2.gz OJBNVJXMBMLALL-SECBINFHSA-N 1 1 191.278 2.030 10 0 AEAEMO CC(C)c1[nH+]c(N)[nH]c1C1CCC1 257934608 573047900 /nfs/dbraw/zinc/04/79/00/573047900.db2.gz UCWARGHIFSMVQK-UHFFFAOYSA-N 1 1 179.267 2.383 10 0 AEAEMO CC(C)CCN1CCCC[NH2+][C@H](C)C1 259317830 573048015 /nfs/dbraw/zinc/04/80/15/573048015.db2.gz IEHQFFKWNXEEBE-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)/C=C(\[NH3+])C(C)C 104588769 573048565 /nfs/dbraw/zinc/04/85/65/573048565.db2.gz CYHSYHNXSDQDQD-YVMONPNESA-N 1 1 127.231 2.141 10 0 AEAEMO CC1(C)[NH2+]C[C@]1(F)c1ccccc1 238258281 573048678 /nfs/dbraw/zinc/04/86/78/573048678.db2.gz IMQJVCSLSRMSSK-NSHDSACASA-N 1 1 179.238 2.233 10 0 AEAEMO Cc1ccc2c([nH+]1)N(C)C(C)(C)CN2 88037027 573049044 /nfs/dbraw/zinc/04/90/44/573049044.db2.gz NCJSTFXGDJMMGL-UHFFFAOYSA-N 1 1 191.278 2.030 10 0 AEAEMO CCCN1CCNc2ccc(C)[nH+]c21 88037010 573050401 /nfs/dbraw/zinc/05/04/01/573050401.db2.gz JQIDVUKFCLGGQU-UHFFFAOYSA-N 1 1 191.278 2.032 10 0 AEAEMO CCC[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@@H]1C 49694189 573050409 /nfs/dbraw/zinc/05/04/09/573050409.db2.gz HJWQUFFEFYIFIK-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO Cc1cn(C(C)C)c(N2CCCC2)[nH+]1 257936792 573051142 /nfs/dbraw/zinc/05/11/42/573051142.db2.gz UTCYYEOWJDTHSV-UHFFFAOYSA-N 1 1 193.294 2.373 10 0 AEAEMO CCCCC[N@H+]1CCC(=O)C[C@H]1C 49707826 573052105 /nfs/dbraw/zinc/05/21/05/573052105.db2.gz NDPNIAALQIFHGF-SNVBAGLBSA-N 1 1 183.295 2.230 10 0 AEAEMO CC[PH+](CC)[C@@H](C)C(C)=O 238262259 573052283 /nfs/dbraw/zinc/05/22/83/573052283.db2.gz UHPFCGXMXXDLGN-QMMMGPOBSA-N 1 1 160.197 2.486 10 0 AEAEMO CCC(CC)[N@H+]1CC[C@@H]([NH2+]C)C[C@@H]1C 49709097 573052324 /nfs/dbraw/zinc/05/23/24/573052324.db2.gz NUYUHFWWODWEEG-WDEREUQCSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H](C(C)C)[N@H+]1CC[C@@H](OC)C1 308250122 573052386 /nfs/dbraw/zinc/05/23/86/573052386.db2.gz APTZZQOXDKOCHR-MNOVXSKESA-N 1 1 185.311 2.142 10 0 AEAEMO CC[N@H+]1CCCC[C@@H]1C1(O)CCCC1 257937628 573052529 /nfs/dbraw/zinc/05/25/29/573052529.db2.gz HPYPFCSZEJMPKP-LLVKDONJSA-N 1 1 197.322 2.166 10 0 AEAEMO CC[N@H+]1CCCC[C@H]1C1(O)CCCC1 257937632 573052611 /nfs/dbraw/zinc/05/26/11/573052611.db2.gz HPYPFCSZEJMPKP-NSHDSACASA-N 1 1 197.322 2.166 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1CC1(N)CCC1 88051708 573052723 /nfs/dbraw/zinc/05/27/23/573052723.db2.gz WTPFCDMBBXVJIA-LLVKDONJSA-N 1 1 196.338 2.132 10 0 AEAEMO CC[C@@H]1CCCCN1CC1([NH3+])CCC1 88051708 573052731 /nfs/dbraw/zinc/05/27/31/573052731.db2.gz WTPFCDMBBXVJIA-LLVKDONJSA-N 1 1 196.338 2.132 10 0 AEAEMO C[C@H]1CCC[C@@H](C)[N@H+]1CC1(N)CCC1 88051680 573053069 /nfs/dbraw/zinc/05/30/69/573053069.db2.gz MQOYLZXHOBFUHD-PHIMTYICSA-N 1 1 196.338 2.131 10 0 AEAEMO C[C@H]1CCC[C@@H](C)N1CC1([NH3+])CCC1 88051680 573053075 /nfs/dbraw/zinc/05/30/75/573053075.db2.gz MQOYLZXHOBFUHD-PHIMTYICSA-N 1 1 196.338 2.131 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1CC1(N)CCC1 88051709 573053173 /nfs/dbraw/zinc/05/31/73/573053173.db2.gz WTPFCDMBBXVJIA-NSHDSACASA-N 1 1 196.338 2.132 10 0 AEAEMO CC[C@H]1CCCCN1CC1([NH3+])CCC1 88051709 573053180 /nfs/dbraw/zinc/05/31/80/573053180.db2.gz WTPFCDMBBXVJIA-NSHDSACASA-N 1 1 196.338 2.132 10 0 AEAEMO C[N@@H+](CC1(N)CCC1)C1CCCCC1 88051660 573053229 /nfs/dbraw/zinc/05/32/29/573053229.db2.gz WEOBJNKELDQYQA-UHFFFAOYSA-N 1 1 196.338 2.132 10 0 AEAEMO CN(CC1([NH3+])CCC1)C1CCCCC1 88051660 573053233 /nfs/dbraw/zinc/05/32/33/573053233.db2.gz WEOBJNKELDQYQA-UHFFFAOYSA-N 1 1 196.338 2.132 10 0 AEAEMO CCCCC[N@H+]1CCC(=O)C[C@@H]1C 49707825 573053475 /nfs/dbraw/zinc/05/34/75/573053475.db2.gz NDPNIAALQIFHGF-JTQLQIEISA-N 1 1 183.295 2.230 10 0 AEAEMO CCC[N@@H+](C)CC1(C)CCOCC1 308248865 573053997 /nfs/dbraw/zinc/05/39/97/573053997.db2.gz AMGRUSNYJZOEJZ-UHFFFAOYSA-N 1 1 185.311 2.145 10 0 AEAEMO CC[C@](C)(CN)C[NH2+]C1(C)CCCC1 128507638 573054258 /nfs/dbraw/zinc/05/42/58/573054258.db2.gz OFJGZEYHJKFLLG-LLVKDONJSA-N 1 1 198.354 2.284 10 0 AEAEMO CC[C@@H](C)[C@H](C)[N@H+]1CCC(=O)C[C@@H]1C 49713309 573054286 /nfs/dbraw/zinc/05/42/86/573054286.db2.gz BEVKVUUVJICXDF-VWYCJHECSA-N 1 1 197.322 2.474 10 0 AEAEMO CC[C@@H](C)[C@@H](C)[N@H+]1CCC(=O)C[C@@H]1C 49713307 573054569 /nfs/dbraw/zinc/05/45/69/573054569.db2.gz BEVKVUUVJICXDF-OUAUKWLOSA-N 1 1 197.322 2.474 10 0 AEAEMO C[C@H]1CCC[C@H](C)N1CC1([NH3+])CCC1 88051681 573054640 /nfs/dbraw/zinc/05/46/40/573054640.db2.gz MQOYLZXHOBFUHD-QWRGUYRKSA-N 1 1 196.338 2.131 10 0 AEAEMO C[C@@H]1CCC[C@@H](C)N1CC1([NH3+])CCC1 88051682 573055482 /nfs/dbraw/zinc/05/54/82/573055482.db2.gz MQOYLZXHOBFUHD-GHMZBOCLSA-N 1 1 196.338 2.131 10 0 AEAEMO CC[C@@H]1C[C@H](C[N@@H+](C)CC)CCO1 308240388 573055511 /nfs/dbraw/zinc/05/55/11/573055511.db2.gz SMMHMHVSMFGXSJ-GHMZBOCLSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@H]1CC[C@@H](C)[N@H+](C[C@H](C)NC)C1 308487056 573055574 /nfs/dbraw/zinc/05/55/74/573055574.db2.gz OUOQQVCWVRFHHY-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CC[C@@H](C)[N@@H+](C[C@H](C)NC)C1 308487056 573055577 /nfs/dbraw/zinc/05/55/77/573055577.db2.gz OUOQQVCWVRFHHY-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@H+]1CCC[C@@]2(CCCC[C@@H]2O)C1 238260258 573055767 /nfs/dbraw/zinc/05/57/67/573055767.db2.gz XTXGWEMNRHYWKU-RYUDHWBXSA-N 1 1 197.322 2.023 10 0 AEAEMO C/C=C\C[N@@H+]1C[C@H](C)OC[C@H]1CC 308239413 573055918 /nfs/dbraw/zinc/05/59/18/573055918.db2.gz SADQAYYOIICPHS-LQKZOZGNSA-N 1 1 183.295 2.062 10 0 AEAEMO C/C=C\C[N@@H+]1C[C@H](C)OC[C@@H]1CC 308239414 573056100 /nfs/dbraw/zinc/05/61/00/573056100.db2.gz SADQAYYOIICPHS-UARRTVENSA-N 1 1 183.295 2.062 10 0 AEAEMO CC1([NH2+]CC2(N)CCC2)CCCCC1 88052047 573056257 /nfs/dbraw/zinc/05/62/57/573056257.db2.gz JZSHISNXXHTRCT-UHFFFAOYSA-N 1 1 196.338 2.180 10 0 AEAEMO Cc1c[nH+]c2c(c1)NCC1(CCC1)N2 88049909 573056486 /nfs/dbraw/zinc/05/64/86/573056486.db2.gz WRPYCIHOABFQKI-UHFFFAOYSA-N 1 1 189.262 2.150 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](CC)C[C@H](C)O 308240077 573056875 /nfs/dbraw/zinc/05/68/75/573056875.db2.gz SITATTKPSHEOMJ-MNOVXSKESA-N 1 1 187.327 2.125 10 0 AEAEMO CC[C@@H]1C[C@@H](C[N@@H+](C)CC)CCO1 308240392 573057255 /nfs/dbraw/zinc/05/72/55/573057255.db2.gz SMMHMHVSMFGXSJ-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@@H](COC)[N@@H+](C)CCC(C)C 308240343 573058463 /nfs/dbraw/zinc/05/84/63/573058463.db2.gz SLBSUSSFVXTIRL-NSHDSACASA-N 1 1 187.327 2.389 10 0 AEAEMO CC[C@H]1C[C@H](C[N@@H+](C)CC)CCO1 308240389 573058575 /nfs/dbraw/zinc/05/85/75/573058575.db2.gz SMMHMHVSMFGXSJ-MNOVXSKESA-N 1 1 185.311 2.143 10 0 AEAEMO CCc1ccc(Cl)c2[nH+]cc(N)n12 238274819 573058585 /nfs/dbraw/zinc/05/85/85/573058585.db2.gz CEAVFGLNLQDSMR-UHFFFAOYSA-N 1 1 195.653 2.132 10 0 AEAEMO CC[C@H]1C[C@@H](C[N@@H+](C)CC)CCO1 308240390 573058659 /nfs/dbraw/zinc/05/86/59/573058659.db2.gz SMMHMHVSMFGXSJ-QWRGUYRKSA-N 1 1 185.311 2.143 10 0 AEAEMO CCCC[N@@H+](C)C[C@@H](O)CC(C)C 308239449 573059351 /nfs/dbraw/zinc/05/93/51/573059351.db2.gz SCVRELUVCDECBX-NSHDSACASA-N 1 1 187.327 2.125 10 0 AEAEMO CC(C)(C)[N@H+]1CC[C@H](CO)CC1(C)C 259320707 573059973 /nfs/dbraw/zinc/05/99/73/573059973.db2.gz IJSXDMQXEOGBFN-JTQLQIEISA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H]1C[C@@H]1C[NH2+]CC(F)(F)C(F)F 308241988 573060551 /nfs/dbraw/zinc/06/05/51/573060551.db2.gz ZBYDLJMNKDJNQD-NTSWFWBYSA-N 1 1 199.191 2.132 10 0 AEAEMO CN[C@@H]1CCC[N@H+](CC(C)C)C1(C)C 259320383 573060963 /nfs/dbraw/zinc/06/09/63/573060963.db2.gz IGSLRMOATDHUJF-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CN[C@@H]1CCC[N@@H+](CC(C)C)C1(C)C 259320383 573060970 /nfs/dbraw/zinc/06/09/70/573060970.db2.gz IGSLRMOATDHUJF-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[N@@H+](C)[C@@H](C)[C@@H]1CCOC1 308244027 573061105 /nfs/dbraw/zinc/06/11/05/573061105.db2.gz UETBWHRWFNEYDY-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO C[C@@H]1C[C@@H]1C[NH2+]CC(F)(F)C(F)F 308241994 573061188 /nfs/dbraw/zinc/06/11/88/573061188.db2.gz ZBYDLJMNKDJNQD-PHDIDXHHSA-N 1 1 199.191 2.132 10 0 AEAEMO CCCCCC[N@H+]1CCNC[C@H]1CC 82476484 573061906 /nfs/dbraw/zinc/06/19/06/573061906.db2.gz PDZLLHYZQUVYLH-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCCN1CC[NH2+]C[C@H]1CC 82476484 573061913 /nfs/dbraw/zinc/06/19/13/573061913.db2.gz PDZLLHYZQUVYLH-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CC[N@@H+](CC=C(C)C)[C@H](C)COC 308243963 573061999 /nfs/dbraw/zinc/06/19/99/573061999.db2.gz UBRSPHIBCNBEJC-LLVKDONJSA-N 1 1 185.311 2.309 10 0 AEAEMO CC(C)(C)[N@H+]1CC[C@@H](CO)CC1(C)C 259320711 573062676 /nfs/dbraw/zinc/06/26/76/573062676.db2.gz IJSXDMQXEOGBFN-SNVBAGLBSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCc1[nH+]ccn1COC(C)C 308242233 573062695 /nfs/dbraw/zinc/06/26/95/573062695.db2.gz ZCSBIUNVTYXIOJ-UHFFFAOYSA-N 1 1 182.267 2.218 10 0 AEAEMO CCCC[N@@H+](C)[C@H](C)[C@@H]1CCOC1 308244024 573063915 /nfs/dbraw/zinc/06/39/15/573063915.db2.gz UETBWHRWFNEYDY-GHMZBOCLSA-N 1 1 185.311 2.143 10 0 AEAEMO CCCC[N@@H+](C)[C@H](C)[C@H]1CCOC1 308244025 573064730 /nfs/dbraw/zinc/06/47/30/573064730.db2.gz UETBWHRWFNEYDY-MNOVXSKESA-N 1 1 185.311 2.143 10 0 AEAEMO CCCC[N@@H+](C)[C@@H](C)[C@H]1CCOC1 308244026 573064744 /nfs/dbraw/zinc/06/47/44/573064744.db2.gz UETBWHRWFNEYDY-QWRGUYRKSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC(CC)C[N@@H+](CCN)C(C)C 128552198 573066237 /nfs/dbraw/zinc/06/62/37/573066237.db2.gz RXFCVPUUDKAGSN-UHFFFAOYSA-N 1 1 186.343 2.092 10 0 AEAEMO CCc1[nH+]c([C@H](CO)C(C)C)[nH]c1C 258475122 573067015 /nfs/dbraw/zinc/06/70/15/573067015.db2.gz AWJYXVCHAJANJK-SECBINFHSA-N 1 1 196.294 2.012 10 0 AEAEMO CCc1[nH]c([C@H](CO)C(C)C)[nH+]c1C 258475122 573067018 /nfs/dbraw/zinc/06/70/18/573067018.db2.gz AWJYXVCHAJANJK-SECBINFHSA-N 1 1 196.294 2.012 10 0 AEAEMO CN[C@H](C)[C@H](C)[N@@H+]1CCC[C@H](C)CC1 82489176 573067520 /nfs/dbraw/zinc/06/75/20/573067520.db2.gz YMTGFLGJUWESIA-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CN[C@H](C)[C@H](C)[N@H+]1CCC[C@H](C)CC1 82489176 573067527 /nfs/dbraw/zinc/06/75/27/573067527.db2.gz YMTGFLGJUWESIA-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H]1CCC[N@H+]([C@@H]2CCCC2=O)CC1 82489684 573067900 /nfs/dbraw/zinc/06/79/00/573067900.db2.gz KUBJKQXSKSWSIZ-GHMZBOCLSA-N 1 1 195.306 2.230 10 0 AEAEMO N[C@@H](C[NH2+]C1CCCCC1)CC1CC1 308494408 573068079 /nfs/dbraw/zinc/06/80/79/573068079.db2.gz SGMOLAJFJZAMNC-LLVKDONJSA-N 1 1 196.338 2.036 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@H]1CCO[C@H]1C 308245693 573068251 /nfs/dbraw/zinc/06/82/51/573068251.db2.gz VNWIRKUHQATKRB-ONGXEEELSA-N 1 1 185.311 2.284 10 0 AEAEMO CNc1cc[nH+]c2ccsc12 85535301 573068702 /nfs/dbraw/zinc/06/87/02/573068702.db2.gz SZTXIJXDEPIRMN-UHFFFAOYSA-N 1 1 164.233 2.338 10 0 AEAEMO N[C@H](C[NH2+]C1CCCCC1)CC1CC1 308494410 573068605 /nfs/dbraw/zinc/06/86/05/573068605.db2.gz SGMOLAJFJZAMNC-NSHDSACASA-N 1 1 196.338 2.036 10 0 AEAEMO CC[C@@](C)(CN)[N@H+]1CCC[C@H](C)CC1 82488952 573068822 /nfs/dbraw/zinc/06/88/22/573068822.db2.gz FKALURXUCXLPRX-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@H]1CCC[N@H+]([C@@H]2CCCC2=O)CC1 82489685 573069593 /nfs/dbraw/zinc/06/95/93/573069593.db2.gz KUBJKQXSKSWSIZ-WDEREUQCSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC(=O)C[N@H+]1CCC[C@@H](C)CC1 82489646 573070535 /nfs/dbraw/zinc/07/05/35/573070535.db2.gz ARWIUUVCHPTSBF-SNVBAGLBSA-N 1 1 183.295 2.088 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@H]1CCO[C@@H]1C 308245689 573070563 /nfs/dbraw/zinc/07/05/63/573070563.db2.gz VNWIRKUHQATKRB-KOLCDFICSA-N 1 1 185.311 2.284 10 0 AEAEMO CCC[N@@H+](CCN)CC(CC)CC 128551911 573070216 /nfs/dbraw/zinc/07/02/16/573070216.db2.gz OVSURDZWNGWGNH-UHFFFAOYSA-N 1 1 186.343 2.093 10 0 AEAEMO CCc1[nH+]c([C@@H](CO)C(C)C)[nH]c1C 258475126 573070324 /nfs/dbraw/zinc/07/03/24/573070324.db2.gz AWJYXVCHAJANJK-VIFPVBQESA-N 1 1 196.294 2.012 10 0 AEAEMO CCc1[nH]c([C@@H](CO)C(C)C)[nH+]c1C 258475126 573070332 /nfs/dbraw/zinc/07/03/32/573070332.db2.gz AWJYXVCHAJANJK-VIFPVBQESA-N 1 1 196.294 2.012 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@H]1CCO[C@@H]1C 308245691 573070524 /nfs/dbraw/zinc/07/05/24/573070524.db2.gz VNWIRKUHQATKRB-MWLCHTKSSA-N 1 1 185.311 2.284 10 0 AEAEMO CC[C@](C)(CN)[N@H+]1CCC[C@H](C)CC1 82488954 573071882 /nfs/dbraw/zinc/07/18/82/573071882.db2.gz FKALURXUCXLPRX-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[N@@H+](CCCCF)[C@H](C)COC 308247400 573071378 /nfs/dbraw/zinc/07/13/78/573071378.db2.gz XMCQLNVHODJWGE-SNVBAGLBSA-N 1 1 191.290 2.093 10 0 AEAEMO CC[N@@H+](CCCCF)[C@@H](C)COC 308247399 573071505 /nfs/dbraw/zinc/07/15/05/573071505.db2.gz XMCQLNVHODJWGE-JTQLQIEISA-N 1 1 191.290 2.093 10 0 AEAEMO C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@H]2O)CC1 82489704 573071520 /nfs/dbraw/zinc/07/15/20/573071520.db2.gz XZGPACHGKQBJFF-UTUOFQBUSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(=O)[C@H](C)[N@H+]1CCC[C@H](C)CC1 82489671 573071598 /nfs/dbraw/zinc/07/15/98/573071598.db2.gz JXLFWXJVENGTMQ-UWVGGRQHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@H](N)[C@@H](C)[N@H+]1CCC[C@H](C)CC1 82489104 573072826 /nfs/dbraw/zinc/07/28/26/573072826.db2.gz CUCRGBQHZVIHFU-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]1CC(C)(C)CC[C@]1(C[NH3+])N(C)C 88131916 573073212 /nfs/dbraw/zinc/07/32/12/573073212.db2.gz BMWFJFLFPPCENQ-CMPLNLGQSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)[C@H](CN)[N@H+]1CCC[C@H](C)CC1 82488932 573073670 /nfs/dbraw/zinc/07/36/70/573073670.db2.gz DUZSVLVWXGFTDR-RYUDHWBXSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CC(C)(C)CC[C@@]1(C[NH3+])N(C)C 88131914 573074087 /nfs/dbraw/zinc/07/40/87/573074087.db2.gz BMWFJFLFPPCENQ-JQWIXIFHSA-N 1 1 198.354 2.092 10 0 AEAEMO CN[C@H](C)[C@H](C)[N@@H+]1CCC[C@@H](C)CC1 82489174 573074161 /nfs/dbraw/zinc/07/41/61/573074161.db2.gz YMTGFLGJUWESIA-UTUOFQBUSA-N 1 1 198.354 2.105 10 0 AEAEMO CN[C@H](C)[C@H](C)[N@H+]1CCC[C@@H](C)CC1 82489174 573074168 /nfs/dbraw/zinc/07/41/68/573074168.db2.gz YMTGFLGJUWESIA-UTUOFQBUSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H]1CC(C)(C)CC[C@@H]1[N@@H+](C)CCN 88132183 573074254 /nfs/dbraw/zinc/07/42/54/573074254.db2.gz IUAKVSBXXGOSTL-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](C)[C@H]1C[NH2+][C@@H](CC(C)C)CN1 224649441 573075101 /nfs/dbraw/zinc/07/51/01/573075101.db2.gz SVOYKXWQOVHQRM-GRYCIOLGSA-N 1 1 198.354 2.009 10 0 AEAEMO C[C@H]1CC(C)(C)CC[C@@H]1[N@@H+](C)CCN 88132184 573075131 /nfs/dbraw/zinc/07/51/31/573075131.db2.gz IUAKVSBXXGOSTL-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(=O)[C@H](C)[N@H+]1CCC[C@@H](C)CC1 82489670 573075227 /nfs/dbraw/zinc/07/52/27/573075227.db2.gz JXLFWXJVENGTMQ-ZJUUUORDSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)[C@H](CN)[N@H+]1CCC[C@@H](C)CC1 82488930 573075555 /nfs/dbraw/zinc/07/55/55/573075555.db2.gz DUZSVLVWXGFTDR-NEPJUHHUSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(=O)C[N@H+]1CCC[C@H](C)CC1 82489644 573075572 /nfs/dbraw/zinc/07/55/72/573075572.db2.gz ARWIUUVCHPTSBF-JTQLQIEISA-N 1 1 183.295 2.088 10 0 AEAEMO C[C@H]1CC(C)(C)CC[C@H]1[N@@H+](C)CCN 88132186 573075856 /nfs/dbraw/zinc/07/58/56/573075856.db2.gz IUAKVSBXXGOSTL-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1CC(C)(C)CC[C@@]1(C[NH3+])N(C)C 88131913 573076291 /nfs/dbraw/zinc/07/62/91/573076291.db2.gz BMWFJFLFPPCENQ-PWSUYJOCSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1CC(C)(C)CC[C@]1(C[NH3+])N(C)C 88131915 573076547 /nfs/dbraw/zinc/07/65/47/573076547.db2.gz BMWFJFLFPPCENQ-ZYHUDNBSSA-N 1 1 198.354 2.092 10 0 AEAEMO CNC(C)(C)C[N@@H+]1CCC[C@H](C)CC1 82491007 573076590 /nfs/dbraw/zinc/07/65/90/573076590.db2.gz JSVAUVBVOLRYNM-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CNC(C)(C)C[N@H+]1CCC[C@H](C)CC1 82491007 573076597 /nfs/dbraw/zinc/07/65/97/573076597.db2.gz JSVAUVBVOLRYNM-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO C[C@@H]1CCC[N@@H+](CC(C)(C)CO)CC1 82490281 573077124 /nfs/dbraw/zinc/07/71/24/573077124.db2.gz GNVBFBUKNVQKOE-LLVKDONJSA-N 1 1 199.338 2.127 10 0 AEAEMO C[N@@H+](CC1CCCC1)[C@@H]1CCCC1=O 82492579 573077140 /nfs/dbraw/zinc/07/71/40/573077140.db2.gz ZUFNOVJYOJXVIN-LLVKDONJSA-N 1 1 195.306 2.230 10 0 AEAEMO CCc1ccc2oc([C@H](C)[NH3+])nc2c1 82510314 573077377 /nfs/dbraw/zinc/07/73/77/573077377.db2.gz TUKPZFMPEWFWMZ-ZETCQYMHSA-N 1 1 190.246 2.410 10 0 AEAEMO CCc1ccc2oc([C@@H](C)[NH3+])nc2c1 82510313 573077477 /nfs/dbraw/zinc/07/74/77/573077477.db2.gz TUKPZFMPEWFWMZ-SSDOTTSWSA-N 1 1 190.246 2.410 10 0 AEAEMO CCOC[C@H](C)[N@@H+](C)CC(C)(C)C 308250926 573077487 /nfs/dbraw/zinc/07/74/87/573077487.db2.gz BQELOPPQUPRBLE-JTQLQIEISA-N 1 1 187.327 2.389 10 0 AEAEMO Cc1cc(C)c2oc([C@H](C)[NH3+])nc2c1 82510318 573077566 /nfs/dbraw/zinc/07/75/66/573077566.db2.gz OBBSPZIHPJULFQ-QMMMGPOBSA-N 1 1 190.246 2.464 10 0 AEAEMO CNC(C)(C)C[N@@H+]1CCC[C@@H](C)CC1 82491006 573077784 /nfs/dbraw/zinc/07/77/84/573077784.db2.gz JSVAUVBVOLRYNM-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CNC(C)(C)C[N@H+]1CCC[C@@H](C)CC1 82491006 573077793 /nfs/dbraw/zinc/07/77/93/573077793.db2.gz JSVAUVBVOLRYNM-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO C[C@H]1CCC[N@H+](CC(C)(C)CN)CC1 82490216 573077931 /nfs/dbraw/zinc/07/79/31/573077931.db2.gz FEUSQOFDBZHOIY-NSHDSACASA-N 1 1 198.354 2.093 10 0 AEAEMO C[C@H]1CCC[N@@H+](CC(C)(C)CN)CC1 82490216 573077935 /nfs/dbraw/zinc/07/79/35/573077935.db2.gz FEUSQOFDBZHOIY-NSHDSACASA-N 1 1 198.354 2.093 10 0 AEAEMO Cc1ccc([C@H]2[NH2+]C[C@@H](C)S2)nc1 88136315 573078178 /nfs/dbraw/zinc/07/81/78/573078178.db2.gz XPXACLUTRGZYHI-SCZZXKLOSA-N 1 1 194.303 2.114 10 0 AEAEMO C[C@H]1CCC[C@@H]([NH2+]CC2(N)CC2)CC1 235698842 573078179 /nfs/dbraw/zinc/07/81/79/573078179.db2.gz GKKJTOPPCMPWCJ-WDEREUQCSA-N 1 1 196.338 2.036 10 0 AEAEMO Cc1ccc(F)c(Cc2[nH]cc[nH+]2)c1 114431078 573078594 /nfs/dbraw/zinc/07/85/94/573078594.db2.gz DCRGCDVXWFSBKV-UHFFFAOYSA-N 1 1 190.221 2.448 10 0 AEAEMO Cc1cc(C)c2oc([C@@H](C)[NH3+])nc2c1 82510317 573078267 /nfs/dbraw/zinc/07/82/67/573078267.db2.gz OBBSPZIHPJULFQ-MRVPVSSYSA-N 1 1 190.246 2.464 10 0 AEAEMO CC[C@@H](C)[N@@H+]1C[C@@H](NC)CCC1(C)C 259323849 573078430 /nfs/dbraw/zinc/07/84/30/573078430.db2.gz INISUHVQHPJEHP-MNOVXSKESA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H](C)[N@H+]1C[C@@H](NC)CCC1(C)C 259323849 573078435 /nfs/dbraw/zinc/07/84/35/573078435.db2.gz INISUHVQHPJEHP-MNOVXSKESA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)C[C@H](N)CC1CC1 308491710 573078758 /nfs/dbraw/zinc/07/87/58/573078758.db2.gz RDFUSBWLFFWRFD-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)N(CC)C[C@H]([NH3+])CC1CC1 308491710 573078763 /nfs/dbraw/zinc/07/87/63/573078763.db2.gz RDFUSBWLFFWRFD-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C[N@@H+]1CCC[C@H](C)CC1)NC 82495147 573078808 /nfs/dbraw/zinc/07/88/08/573078808.db2.gz ZACIOQFOWHLUDT-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C[N@H+]1CCC[C@H](C)CC1)NC 82495147 573078815 /nfs/dbraw/zinc/07/88/15/573078815.db2.gz ZACIOQFOWHLUDT-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO Cc1ccc([C@@H]2[NH2+]C[C@H](C)S2)nc1 88136308 573079159 /nfs/dbraw/zinc/07/91/59/573079159.db2.gz XPXACLUTRGZYHI-WCBMZHEXSA-N 1 1 194.303 2.114 10 0 AEAEMO C[C@@H]1CC[N@@H+](CC2(O)CCCCC2)C1 82491803 573079368 /nfs/dbraw/zinc/07/93/68/573079368.db2.gz HJYCSJXKFWNUSC-LLVKDONJSA-N 1 1 197.322 2.023 10 0 AEAEMO CC(C)[C@H](CN)[N@@H+](C)CC1CCCC1 82492085 573079767 /nfs/dbraw/zinc/07/97/67/573079767.db2.gz RMUFZUATXIHZEH-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CCC[N@@H+](CC(C)(C)CO)CC1 82490283 573080223 /nfs/dbraw/zinc/08/02/23/573080223.db2.gz GNVBFBUKNVQKOE-NSHDSACASA-N 1 1 199.338 2.127 10 0 AEAEMO CC(C)[C@@H](N)C[N@H+]1CCC[C@@H](C)CC1 82491000 573080540 /nfs/dbraw/zinc/08/05/40/573080540.db2.gz KVDDDIQEPUGKSH-NEPJUHHUSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)[C@@H]([NH3+])CN1CCC[C@@H](C)CC1 82491000 573080547 /nfs/dbraw/zinc/08/05/47/573080547.db2.gz KVDDDIQEPUGKSH-NEPJUHHUSA-N 1 1 198.354 2.092 10 0 AEAEMO Cc1ccc([C@H]2[NH2+][C@@H](C)CS2)nc1 88136323 573080834 /nfs/dbraw/zinc/08/08/34/573080834.db2.gz LDHZDNKYWHYBMC-WPRPVWTQSA-N 1 1 194.303 2.114 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@@H](NC)CCC1(C)C 259323852 573081085 /nfs/dbraw/zinc/08/10/85/573081085.db2.gz INISUHVQHPJEHP-QWRGUYRKSA-N 1 1 198.354 2.247 10 0 AEAEMO C[N@@H+](CC1CCCC1)[C@H]1CCCC1=O 82492580 573080628 /nfs/dbraw/zinc/08/06/28/573080628.db2.gz ZUFNOVJYOJXVIN-NSHDSACASA-N 1 1 195.306 2.230 10 0 AEAEMO Cc1ccc([C@H]2[NH2+][C@H](C)CS2)nc1 88136319 573080928 /nfs/dbraw/zinc/08/09/28/573080928.db2.gz LDHZDNKYWHYBMC-SCZZXKLOSA-N 1 1 194.303 2.114 10 0 AEAEMO CC[C@H](C)[N@@H+]1C[C@@H](NC)CCC1(C)C 259323852 573081078 /nfs/dbraw/zinc/08/10/78/573081078.db2.gz INISUHVQHPJEHP-QWRGUYRKSA-N 1 1 198.354 2.247 10 0 AEAEMO Cc1ccc([C@@H]2[NH2+][C@H](C)CS2)nc1 88136317 573081477 /nfs/dbraw/zinc/08/14/77/573081477.db2.gz LDHZDNKYWHYBMC-PSASIEDQSA-N 1 1 194.303 2.114 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)C[C@H](N)CC1CC1 308491707 573081505 /nfs/dbraw/zinc/08/15/05/573081505.db2.gz RDFUSBWLFFWRFD-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[C@@H](N)C[N@H+]1CCC[C@H](C)CC1 82491002 573081507 /nfs/dbraw/zinc/08/15/07/573081507.db2.gz KVDDDIQEPUGKSH-RYUDHWBXSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)N(CC)C[C@H]([NH3+])CC1CC1 308491707 573081509 /nfs/dbraw/zinc/08/15/09/573081509.db2.gz RDFUSBWLFFWRFD-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[C@@H]([NH3+])CN1CCC[C@H](C)CC1 82491002 573081510 /nfs/dbraw/zinc/08/15/10/573081510.db2.gz KVDDDIQEPUGKSH-RYUDHWBXSA-N 1 1 198.354 2.092 10 0 AEAEMO CCOC[C@@H](C)[N@@H+](C)CC(C)(C)C 308250928 573081550 /nfs/dbraw/zinc/08/15/50/573081550.db2.gz BQELOPPQUPRBLE-SNVBAGLBSA-N 1 1 187.327 2.389 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)C[C@@H](N)CC1CC1 308491708 573081578 /nfs/dbraw/zinc/08/15/78/573081578.db2.gz RDFUSBWLFFWRFD-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)N(CC)C[C@@H]([NH3+])CC1CC1 308491708 573081584 /nfs/dbraw/zinc/08/15/84/573081584.db2.gz RDFUSBWLFFWRFD-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO Cc1ccc([C@H]2[NH2+]C[C@H](C)S2)nc1 88136310 573081886 /nfs/dbraw/zinc/08/18/86/573081886.db2.gz XPXACLUTRGZYHI-WPRPVWTQSA-N 1 1 194.303 2.114 10 0 AEAEMO C[C@@H]1CCC[N@H+](CC(C)(C)CN)CC1 82490213 573081906 /nfs/dbraw/zinc/08/19/06/573081906.db2.gz FEUSQOFDBZHOIY-LLVKDONJSA-N 1 1 198.354 2.093 10 0 AEAEMO C[C@@H]1CCC[N@@H+](CC(C)(C)CN)CC1 82490213 573081915 /nfs/dbraw/zinc/08/19/15/573081915.db2.gz FEUSQOFDBZHOIY-LLVKDONJSA-N 1 1 198.354 2.093 10 0 AEAEMO CC[C@@]1(C)OC(=[NH2+])C=C1NCC(C)C 238272182 573081967 /nfs/dbraw/zinc/08/19/67/573081967.db2.gz OGJRRCCJQDMGAH-LLVKDONJSA-N 1 1 196.294 2.292 10 0 AEAEMO Cc1ccc([C@@H]2[NH2+][C@@H](C)CS2)nc1 88136321 573082101 /nfs/dbraw/zinc/08/21/01/573082101.db2.gz LDHZDNKYWHYBMC-WCBMZHEXSA-N 1 1 194.303 2.114 10 0 AEAEMO C[C@H]1CC[N@@H+](CC2(O)CCCCC2)C1 82491805 573082179 /nfs/dbraw/zinc/08/21/79/573082179.db2.gz HJYCSJXKFWNUSC-NSHDSACASA-N 1 1 197.322 2.023 10 0 AEAEMO CC[C@H](C)[N@@H+]1C[C@H](NC)CCC1(C)C 259323855 573082182 /nfs/dbraw/zinc/08/21/82/573082182.db2.gz INISUHVQHPJEHP-WDEREUQCSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@H](NC)CCC1(C)C 259323855 573082184 /nfs/dbraw/zinc/08/21/84/573082184.db2.gz INISUHVQHPJEHP-WDEREUQCSA-N 1 1 198.354 2.247 10 0 AEAEMO COCC[N@@H+](C)[C@@H]1CCCC1(C)C 308496999 573083064 /nfs/dbraw/zinc/08/30/64/573083064.db2.gz UIQMAARHHIJFMT-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@@H](C)[N@@H+]1C[C@H](NC)CCC1(C)C 259323846 573084247 /nfs/dbraw/zinc/08/42/47/573084247.db2.gz INISUHVQHPJEHP-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H](C)[N@H+]1C[C@H](NC)CCC1(C)C 259323846 573084256 /nfs/dbraw/zinc/08/42/56/573084256.db2.gz INISUHVQHPJEHP-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO CC1(C)[C@@H](CO)CC[N@H+]1C1CCCC1 259323703 573084691 /nfs/dbraw/zinc/08/46/91/573084691.db2.gz ILDKGOZANNYRGZ-SNVBAGLBSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H](C)[C@H](N)C[N@H+]1CCCC[C@H]1C 308498093 573084899 /nfs/dbraw/zinc/08/48/99/573084899.db2.gz UPHAKGNVTOTRGH-IJLUTSLNSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)[C@H]([NH3+])CN1CCCC[C@H]1C 308498093 573084908 /nfs/dbraw/zinc/08/49/08/573084908.db2.gz UPHAKGNVTOTRGH-IJLUTSLNSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[N@@H+](CCCO)CC(C)(C)C 308254544 573085764 /nfs/dbraw/zinc/08/57/64/573085764.db2.gz JRWLBOYZVUICAW-UHFFFAOYSA-N 1 1 187.327 2.125 10 0 AEAEMO CC[C@@H](C)[N@@H+](C(C)C)[C@@H]1CCOC1 308253319 573085897 /nfs/dbraw/zinc/08/58/97/573085897.db2.gz CLSJAIDPSAGTAH-GHMZBOCLSA-N 1 1 185.311 2.284 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1CC(C)(C)CO 49812059 573086155 /nfs/dbraw/zinc/08/61/55/573086155.db2.gz LBHFOWGUNZNCTN-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[N@H+]1CC[C@H](CCO)C(C)(C)C1 259324297 573086356 /nfs/dbraw/zinc/08/63/56/573086356.db2.gz RCFVSWQEMFGYNL-LLVKDONJSA-N 1 1 199.338 2.127 10 0 AEAEMO CC[C@@H](C)[N@@H+](C(C)C)[C@H]1CCOC1 308253321 573086392 /nfs/dbraw/zinc/08/63/92/573086392.db2.gz CLSJAIDPSAGTAH-MNOVXSKESA-N 1 1 185.311 2.284 10 0 AEAEMO CCC/C=C/CC[N@@H+](C)C[C@@H](C)O 308498335 573086548 /nfs/dbraw/zinc/08/65/48/573086548.db2.gz VHRDWXTZGQCAKX-XUIVZRPNSA-N 1 1 185.311 2.045 10 0 AEAEMO CCC[C@H]1C[N@@H+](C)C[C@@H](CCC)[C@@H]1O 308497955 573087037 /nfs/dbraw/zinc/08/70/37/573087037.db2.gz YDFGSLRVAAWTGO-GDNZZTSVSA-N 1 1 199.338 2.125 10 0 AEAEMO COCC[N@@H+](C)[C@H]1CCCC1(C)C 308496998 573087202 /nfs/dbraw/zinc/08/72/02/573087202.db2.gz UIQMAARHHIJFMT-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO C[N@H+]1C[C@@H]2C[C@]2(c2ccc(F)cc2)C1 36489214 573087622 /nfs/dbraw/zinc/08/76/22/573087622.db2.gz FCEZVCFFFLLXSG-CMPLNLGQSA-N 1 1 191.249 2.029 10 0 AEAEMO CC[C@@H](CO)c1[nH]c(C)c(C(C)C)[nH+]1 258477671 573087778 /nfs/dbraw/zinc/08/77/78/573087778.db2.gz BDTOLQIMCAFXLO-VIFPVBQESA-N 1 1 196.294 2.327 10 0 AEAEMO CC[C@@H](CO)c1[nH]c(C(C)C)c(C)[nH+]1 258477671 573087780 /nfs/dbraw/zinc/08/77/80/573087780.db2.gz BDTOLQIMCAFXLO-VIFPVBQESA-N 1 1 196.294 2.327 10 0 AEAEMO CC[C@@H]1CCCC[N@@H+]1CC(C)(C)CN 49811921 573089065 /nfs/dbraw/zinc/08/90/65/573089065.db2.gz PTNOBLLZBTYSNZ-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1CC(C)(C)CN 49811921 573089068 /nfs/dbraw/zinc/08/90/68/573089068.db2.gz PTNOBLLZBTYSNZ-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@@H]1C([NH3+])=C[C@@H]2C[C@H]1C2(C)C 114566752 573089325 /nfs/dbraw/zinc/08/93/25/573089325.db2.gz ZTDSEPVWFSBLGV-BIIVOSGPSA-N 1 1 151.253 2.141 10 0 AEAEMO CC[N@H+](CCC(C)=O)CCC1CC1 308500763 573090325 /nfs/dbraw/zinc/09/03/25/573090325.db2.gz WRFYHWFZIYKWQK-UHFFFAOYSA-N 1 1 183.295 2.088 10 0 AEAEMO COc1ccc(C[N@@H+](C)C2CC2)s1 308500702 573090368 /nfs/dbraw/zinc/09/03/68/573090368.db2.gz WOBGHJZSNVCEFC-UHFFFAOYSA-N 1 1 197.303 2.351 10 0 AEAEMO C[C@H]1C[C@@H]1c1[nH]c2c(N)cccc2[nH+]1 82539410 573090504 /nfs/dbraw/zinc/09/05/04/573090504.db2.gz MHRYBGXWSGFKMQ-BQBZGAKWSA-N 1 1 187.246 2.269 10 0 AEAEMO CCCC[N@@H+](CC)C[C@@H](N)CC1CC1 308500753 573090876 /nfs/dbraw/zinc/09/08/76/573090876.db2.gz WEZJKGHDZXZQHC-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCN(CC)C[C@@H]([NH3+])CC1CC1 308500753 573090878 /nfs/dbraw/zinc/09/08/78/573090878.db2.gz WEZJKGHDZXZQHC-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@](C)(CN)C[N@H+](C)CCC1CC1 308500301 573091465 /nfs/dbraw/zinc/09/14/65/573091465.db2.gz GGCMAMXUWJIQBY-GFCCVEGCSA-N 1 1 198.354 2.093 10 0 AEAEMO CC[C@](C)(CN)C[N@@H+](C)CCC1CC1 308500301 573091472 /nfs/dbraw/zinc/09/14/72/573091472.db2.gz GGCMAMXUWJIQBY-GFCCVEGCSA-N 1 1 198.354 2.093 10 0 AEAEMO Nc1cccc2[nH+]c(C3CCC3)[nH]c12 82539382 573091859 /nfs/dbraw/zinc/09/18/59/573091859.db2.gz LZHAGFQCDCIICL-UHFFFAOYSA-N 1 1 187.246 2.413 10 0 AEAEMO CC[C@H]1CCCC[N@@H+]1CC(C)(C)CN 49811922 573092008 /nfs/dbraw/zinc/09/20/08/573092008.db2.gz PTNOBLLZBTYSNZ-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1CC(C)(C)CN 49811922 573092014 /nfs/dbraw/zinc/09/20/14/573092014.db2.gz PTNOBLLZBTYSNZ-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@H]1C[C@H]1c1[nH]c2c(N)cccc2[nH+]1 82539416 573092286 /nfs/dbraw/zinc/09/22/86/573092286.db2.gz MHRYBGXWSGFKMQ-NKWVEPMBSA-N 1 1 187.246 2.269 10 0 AEAEMO CCC[C@@H]([NH3+])CC[N@@H+](CC)CC1CC1 128647118 573093382 /nfs/dbraw/zinc/09/33/82/573093382.db2.gz KLXWXSDMLUWEQO-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO C/C=C\C[N@@H+]1CCC[C@@](C)(OC)C1 308500692 573093523 /nfs/dbraw/zinc/09/35/23/573093523.db2.gz WNWQPBINXQKRRY-DOGVGXBMSA-N 1 1 183.295 2.063 10 0 AEAEMO C[C@@H]1C[C@@H]1c1[nH]c2c(N)cccc2[nH+]1 82539407 573094142 /nfs/dbraw/zinc/09/41/42/573094142.db2.gz MHRYBGXWSGFKMQ-RQJHMYQMSA-N 1 1 187.246 2.269 10 0 AEAEMO CC[C@@](C)(CN)C[N@H+](C)CCC1CC1 308500302 573094823 /nfs/dbraw/zinc/09/48/23/573094823.db2.gz GGCMAMXUWJIQBY-LBPRGKRZSA-N 1 1 198.354 2.093 10 0 AEAEMO CC[C@@](C)(CN)C[N@@H+](C)CCC1CC1 308500302 573094828 /nfs/dbraw/zinc/09/48/28/573094828.db2.gz GGCMAMXUWJIQBY-LBPRGKRZSA-N 1 1 198.354 2.093 10 0 AEAEMO COC(C)(C)C[N@@H+](C)CC[C@@H](C)F 308254618 573095240 /nfs/dbraw/zinc/09/52/40/573095240.db2.gz IEFGQNGSIYLGRO-SECBINFHSA-N 1 1 191.290 2.091 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+]1C[C@@H](C)C[C@@H]1C 222624515 573095411 /nfs/dbraw/zinc/09/54/11/573095411.db2.gz BBHVXJMZXNOWIT-GUBZILKMSA-N 1 1 183.295 2.084 10 0 AEAEMO CC[N@@H+](CC(C)C)C[C@H](N)CC1CC1 308501949 573095599 /nfs/dbraw/zinc/09/55/99/573095599.db2.gz WZRGWBSAFDETEN-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCN(CC(C)C)C[C@H]([NH3+])CC1CC1 308501949 573095604 /nfs/dbraw/zinc/09/56/04/573095604.db2.gz WZRGWBSAFDETEN-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](CCC(C)(C)C)C[C@H](C)O 308501698 573096067 /nfs/dbraw/zinc/09/60/67/573096067.db2.gz XGFCBRDDOGXNIZ-JTQLQIEISA-N 1 1 187.327 2.125 10 0 AEAEMO CCCC(=O)C[N@H+]1CC(C)(C)C1(C)C 690128191 573096251 /nfs/dbraw/zinc/09/62/51/573096251.db2.gz ABWWFZFLRBSGMM-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC1(CC)C[NH2+][C@@H]2CCCC[C@@H]2N1 114596479 573096549 /nfs/dbraw/zinc/09/65/49/573096549.db2.gz LUYINHXADYQQNX-MNOVXSKESA-N 1 1 196.338 2.049 10 0 AEAEMO CCC[C@@H]([NH3+])CC[N@H+]1CCC(C)(C)C1 128668224 573097212 /nfs/dbraw/zinc/09/72/12/573097212.db2.gz LQTNRJGBHPIMLI-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H]([NH3+])CC[N@H+]1CCC(C)(C)C1 128667958 573097381 /nfs/dbraw/zinc/09/73/81/573097381.db2.gz LQTNRJGBHPIMLI-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO COC(C)(C)C[N@@H+](C)CC[C@H](C)F 308254619 573097593 /nfs/dbraw/zinc/09/75/93/573097593.db2.gz IEFGQNGSIYLGRO-VIFPVBQESA-N 1 1 191.290 2.091 10 0 AEAEMO CCC1(CC)C[NH2+][C@H]2CCCC[C@H]2N1 114596482 573099383 /nfs/dbraw/zinc/09/93/83/573099383.db2.gz LUYINHXADYQQNX-WDEREUQCSA-N 1 1 196.338 2.049 10 0 AEAEMO CCC1(CC)C[NH2+][C@@H]2CCCC[C@H]2N1 114596474 573097806 /nfs/dbraw/zinc/09/78/06/573097806.db2.gz LUYINHXADYQQNX-GHMZBOCLSA-N 1 1 196.338 2.049 10 0 AEAEMO CCC1(CC)C[NH2+][C@H]2CCCC[C@@H]2N1 114596477 573097913 /nfs/dbraw/zinc/09/79/13/573097913.db2.gz LUYINHXADYQQNX-QWRGUYRKSA-N 1 1 196.338 2.049 10 0 AEAEMO CC[C@H]1CC[C@@H](C)[N@@H+](CCC(C)=O)C1 308501766 573098348 /nfs/dbraw/zinc/09/83/48/573098348.db2.gz WWDYZRBTHFBDDP-PWSUYJOCSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@@H]1CC[C@@H](C)[N@@H+](CCC(C)=O)C1 308501767 573099022 /nfs/dbraw/zinc/09/90/22/573099022.db2.gz WWDYZRBTHFBDDP-ZYHUDNBSSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[N@@H+](CC(C)C)C[C@@H](N)CC1CC1 308501950 573099876 /nfs/dbraw/zinc/09/98/76/573099876.db2.gz WZRGWBSAFDETEN-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CCN(CC(C)C)C[C@@H]([NH3+])CC1CC1 308501950 573099884 /nfs/dbraw/zinc/09/98/84/573099884.db2.gz WZRGWBSAFDETEN-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCCC[C@@H](C)[N@@H+](C)C[C@@H](C)O 308501625 573099976 /nfs/dbraw/zinc/09/99/76/573099976.db2.gz XFTLYBSISLPASU-GHMZBOCLSA-N 1 1 187.327 2.268 10 0 AEAEMO CCCCC[C@H](C)[N@@H+](C)C[C@@H](C)O 308501650 573100064 /nfs/dbraw/zinc/10/00/64/573100064.db2.gz XFTLYBSISLPASU-WDEREUQCSA-N 1 1 187.327 2.268 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@@H+](CCC(C)=O)C1 308501763 573100179 /nfs/dbraw/zinc/10/01/79/573100179.db2.gz WWDYZRBTHFBDDP-CMPLNLGQSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC[C@@H]1N[C@H](C)CC(C)(C)[N@@H+]1C 238278246 573100453 /nfs/dbraw/zinc/10/04/53/573100453.db2.gz IQDALTRLOGNDNZ-NXEZZACHSA-N 1 1 184.327 2.205 10 0 AEAEMO CCCCC[C@@H](C)[N@@H+](C)C[C@H](C)O 308501634 573100327 /nfs/dbraw/zinc/10/03/27/573100327.db2.gz XFTLYBSISLPASU-MNOVXSKESA-N 1 1 187.327 2.268 10 0 AEAEMO CCC[C@@H]1N[C@H](C)CC(C)(C)[N@H+]1C 238278246 573100460 /nfs/dbraw/zinc/10/04/60/573100460.db2.gz IQDALTRLOGNDNZ-NXEZZACHSA-N 1 1 184.327 2.205 10 0 AEAEMO CCCCC[C@H](C)[N@@H+](C)C[C@H](C)O 308501644 573100410 /nfs/dbraw/zinc/10/04/10/573100410.db2.gz XFTLYBSISLPASU-QWRGUYRKSA-N 1 1 187.327 2.268 10 0 AEAEMO CCC[C@@H]1N[C@@H](C)CC(C)(C)[N@@H+]1C 238277978 573102081 /nfs/dbraw/zinc/10/20/81/573102081.db2.gz IQDALTRLOGNDNZ-VHSXEESVSA-N 1 1 184.327 2.205 10 0 AEAEMO CCC[C@@H]1N[C@@H](C)CC(C)(C)[N@H+]1C 238277978 573102086 /nfs/dbraw/zinc/10/20/86/573102086.db2.gz IQDALTRLOGNDNZ-VHSXEESVSA-N 1 1 184.327 2.205 10 0 AEAEMO CCC/C=C\CC[N@@H+](CC)CCO 308495488 573104063 /nfs/dbraw/zinc/10/40/63/573104063.db2.gz TXGSLBMCPRDCRB-SREVYHEPSA-N 1 1 185.311 2.047 10 0 AEAEMO CCC/C=C/CC[N@@H+](CC)CCO 308495489 573104799 /nfs/dbraw/zinc/10/47/99/573104799.db2.gz TXGSLBMCPRDCRB-VOTSOKGWSA-N 1 1 185.311 2.047 10 0 AEAEMO CCOC(=[NH2+])c1ccc(NC)cc1 238279831 573106163 /nfs/dbraw/zinc/10/61/63/573106163.db2.gz WNYGKDDEIZYCFC-UHFFFAOYSA-N 1 1 178.235 2.090 10 0 AEAEMO C[C@@H](C1CC1)[N@@H+](C)Cc1cc[nH]c1 308264005 573106484 /nfs/dbraw/zinc/10/64/84/573106484.db2.gz OVMBZNHVLKXJQF-VIFPVBQESA-N 1 1 178.279 2.245 10 0 AEAEMO CNC([NH2+]C)c1ccc(C)c(C)c1C 259330436 573107030 /nfs/dbraw/zinc/10/70/30/573107030.db2.gz JXSYXMNURNVWEU-UHFFFAOYSA-N 1 1 192.306 2.049 10 0 AEAEMO CCCc1[nH]c([C@H](CC)C[NH3+])nc1C 258528897 573107089 /nfs/dbraw/zinc/10/70/89/573107089.db2.gz IBGJCWOTJSUQCI-SECBINFHSA-N 1 1 195.310 2.123 10 0 AEAEMO CC(=O)C(C)(C)C[N@@H+]1CCCC[C@H]1C 85677085 573107462 /nfs/dbraw/zinc/10/74/62/573107462.db2.gz LGPZBLKARUJFDE-SNVBAGLBSA-N 1 1 197.322 2.476 10 0 AEAEMO C[C@@H](Nc1[nH+]cccc1N)C1CCC1 123646111 573107473 /nfs/dbraw/zinc/10/74/73/573107473.db2.gz JQHAAKFNWSMBDF-MRVPVSSYSA-N 1 1 191.278 2.264 10 0 AEAEMO C[C@H](Nc1[nH+]cccc1N)C1CCC1 123645887 573107596 /nfs/dbraw/zinc/10/75/96/573107596.db2.gz JQHAAKFNWSMBDF-QMMMGPOBSA-N 1 1 191.278 2.264 10 0 AEAEMO C[C@H](F)CC[N@@H+](C)Cc1ccco1 308262658 573108269 /nfs/dbraw/zinc/10/82/69/573108269.db2.gz ODMZENPCWCMRMN-VIFPVBQESA-N 1 1 185.242 2.460 10 0 AEAEMO CC[C@@H]1C[N@@H+](CC)[C@@H](CC(C)C)CN1 223939551 573108319 /nfs/dbraw/zinc/10/83/19/573108319.db2.gz SANDTYOMRCSEBU-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CN(CC)[C@@H](CC(C)C)C[NH2+]1 223939551 573108324 /nfs/dbraw/zinc/10/83/24/573108324.db2.gz SANDTYOMRCSEBU-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@@H+](CC(C)(C)C(C)=O)C(C)C 85677202 573108362 /nfs/dbraw/zinc/10/83/62/573108362.db2.gz HAKIAEGPDBCUIQ-UHFFFAOYSA-N 1 1 185.311 2.332 10 0 AEAEMO CC(C)(C)CC[N@H+]1CCC[C@H]1CC[NH3+] 308496109 573109004 /nfs/dbraw/zinc/10/90/04/573109004.db2.gz WCOSNNQYXRZSSO-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@H](C1CC1)[N@@H+](C)Cc1cc[nH]c1 308264004 573109315 /nfs/dbraw/zinc/10/93/15/573109315.db2.gz OVMBZNHVLKXJQF-SECBINFHSA-N 1 1 178.279 2.245 10 0 AEAEMO CC(=O)C(C)(C)C[N@@H+]1CCC[C@H](C)C1 85677112 573109411 /nfs/dbraw/zinc/10/94/11/573109411.db2.gz GCFBJICUJBQCJR-JTQLQIEISA-N 1 1 197.322 2.334 10 0 AEAEMO CC[C@H]1C[N@@H+](CC)[C@@H](CC(C)C)CN1 223939605 573110139 /nfs/dbraw/zinc/11/01/39/573110139.db2.gz SANDTYOMRCSEBU-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO Cc1ccccc1-c1cnc(C[NH3+])o1 77274050 573109783 /nfs/dbraw/zinc/10/97/83/573109783.db2.gz BLQUJHJGQGQJDJ-UHFFFAOYSA-N 1 1 188.230 2.109 10 0 AEAEMO CC[C@H]1CN(CC)[C@@H](CC(C)C)C[NH2+]1 223939605 573110146 /nfs/dbraw/zinc/11/01/46/573110146.db2.gz SANDTYOMRCSEBU-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)(C)CC[N@H+]1CCC[C@@H]1CC[NH3+] 308496107 573110308 /nfs/dbraw/zinc/11/03/08/573110308.db2.gz WCOSNNQYXRZSSO-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(=O)C(C)(C)C[N@H+]1CCCC1(C)C 85677740 573110518 /nfs/dbraw/zinc/11/05/18/573110518.db2.gz BAAQAKRMDDTXGI-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(=O)C(C)(C)C[N@@H+]1CCC[C@H]1C 85677031 573111363 /nfs/dbraw/zinc/11/13/63/573111363.db2.gz AQTJOHAYEQXUCT-SECBINFHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(=O)C(C)(C)C[N@@H+]1CCC[C@@H](C)C1 85677107 573111571 /nfs/dbraw/zinc/11/15/71/573111571.db2.gz GCFBJICUJBQCJR-SNVBAGLBSA-N 1 1 197.322 2.334 10 0 AEAEMO CCC[C@H](N)C[N@H+]1CC[C@H](C)[C@H](C)C1 131904071 573111797 /nfs/dbraw/zinc/11/17/97/573111797.db2.gz LULBDZFNYBDAII-TUAOUCFPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H]([NH3+])CN1CC[C@H](C)[C@H](C)C1 131904071 573111804 /nfs/dbraw/zinc/11/18/04/573111804.db2.gz LULBDZFNYBDAII-TUAOUCFPSA-N 1 1 198.354 2.092 10 0 AEAEMO CNC([NH2+]C)c1ccc(C(C)C)cc1 259332927 573112107 /nfs/dbraw/zinc/11/21/07/573112107.db2.gz KAHLWPFXRLWLCU-UHFFFAOYSA-N 1 1 192.306 2.247 10 0 AEAEMO CC(=O)C(C)(C)C[N@@H+]1CCCC[C@@H]1C 85677087 573112902 /nfs/dbraw/zinc/11/29/02/573112902.db2.gz LGPZBLKARUJFDE-JTQLQIEISA-N 1 1 197.322 2.476 10 0 AEAEMO C[C@@H]1CCC[N@H+](CC(C)(C)[C@@H](C)O)C1 85679876 573114315 /nfs/dbraw/zinc/11/43/15/573114315.db2.gz DBLVUWIRMKVHOQ-GHMZBOCLSA-N 1 1 199.338 2.125 10 0 AEAEMO C[NH+](C)Cc1ccc(F)cc1F 142035043 573114592 /nfs/dbraw/zinc/11/45/92/573114592.db2.gz XTRIIQZLQXVVGS-UHFFFAOYSA-N 1 1 171.190 2.026 10 0 AEAEMO C[C@H]1CC(C)(C)CC=C1[NH3+] 104647410 573115890 /nfs/dbraw/zinc/11/58/90/573115890.db2.gz UOMNZZUCBXDQLS-ZETCQYMHSA-N 1 1 139.242 2.285 10 0 AEAEMO C[C@@H](O)C(C)(C)C[N@H+]1CCCC1(C)C 85680523 573116508 /nfs/dbraw/zinc/11/65/08/573116508.db2.gz XWXVDHUFMNMAEG-SNVBAGLBSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H](O)C(C)(C)C[N@H+]1CCCC1(C)C 85680521 573116523 /nfs/dbraw/zinc/11/65/23/573116523.db2.gz XWXVDHUFMNMAEG-JTQLQIEISA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H]1CCC[N@H+](CC(C)(C)[C@@H](C)O)C1 85679878 573116563 /nfs/dbraw/zinc/11/65/63/573116563.db2.gz DBLVUWIRMKVHOQ-WDEREUQCSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H]1CCCC[N@@H+]1CC(C)(C)[C@@H](C)O 85679859 573116840 /nfs/dbraw/zinc/11/68/40/573116840.db2.gz XARVRQUYIOQRCI-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@@H]1CCC[N@@H+](C[C@H](C)N)CC1 158484808 573117465 /nfs/dbraw/zinc/11/74/65/573117465.db2.gz YATWOLOKGVINPG-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@H]1CCCN(C[C@H](C)[NH3+])CC1 158484808 573117468 /nfs/dbraw/zinc/11/74/68/573117468.db2.gz YATWOLOKGVINPG-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H]([NH3+])c1[nH]c2ccccc2c1O 238287869 573117519 /nfs/dbraw/zinc/11/75/19/573117519.db2.gz FTOXMLQJTRXTKY-MRVPVSSYSA-N 1 1 190.246 2.283 10 0 AEAEMO C[NH+](C)[C@@H](c1ncc[nH]1)C(C)(C)C 238287520 573118017 /nfs/dbraw/zinc/11/80/17/573118017.db2.gz UGWJYLRVCTZCPU-QMMMGPOBSA-N 1 1 181.283 2.059 10 0 AEAEMO CCCC[N@@H+](C[C@H](C)O)[C@@H](C)CC 42609602 573118222 /nfs/dbraw/zinc/11/82/22/573118222.db2.gz ZHRNWSIHQZTKQR-QWRGUYRKSA-N 1 1 187.327 2.268 10 0 AEAEMO CCCC[N@H+](CCNC)[C@@H](C)CC 42609893 573118481 /nfs/dbraw/zinc/11/84/81/573118481.db2.gz AVEANZZBUFBDJU-NSHDSACASA-N 1 1 186.343 2.106 10 0 AEAEMO CCCC[N@@H+](C[C@@H](C)O)[C@@H](C)CC 42609601 573118744 /nfs/dbraw/zinc/11/87/44/573118744.db2.gz ZHRNWSIHQZTKQR-WDEREUQCSA-N 1 1 187.327 2.268 10 0 AEAEMO CCCC[N@H+](CCNC)[C@H](C)CC 42609894 573119972 /nfs/dbraw/zinc/11/99/72/573119972.db2.gz AVEANZZBUFBDJU-LLVKDONJSA-N 1 1 186.343 2.106 10 0 AEAEMO CCCC[N@@H+](CCNC)[C@H](C)CC 42609894 573119979 /nfs/dbraw/zinc/11/99/79/573119979.db2.gz AVEANZZBUFBDJU-LLVKDONJSA-N 1 1 186.343 2.106 10 0 AEAEMO CC1(C)C(c2cnc(C[NH3+])o2)C1(C)C 85711018 573120269 /nfs/dbraw/zinc/12/02/69/573120269.db2.gz GRUVNUIDIHICFN-UHFFFAOYSA-N 1 1 194.278 2.283 10 0 AEAEMO Cc1[nH+]ccn1-c1ccnc(Cl)c1 82605656 573121012 /nfs/dbraw/zinc/12/10/12/573121012.db2.gz IRKUBKDDUKGSBE-UHFFFAOYSA-N 1 1 193.637 2.229 10 0 AEAEMO CCC[C@H](C)[N@@H+](CCO)C1CCC1 233333938 573121102 /nfs/dbraw/zinc/12/11/02/573121102.db2.gz NACMDPRCMDUQLL-JTQLQIEISA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@H](C)[NH2+]CCNCC(C)(C)C 40495000 573122098 /nfs/dbraw/zinc/12/20/98/573122098.db2.gz IWYMICYMKBLRLQ-JTQLQIEISA-N 1 1 186.343 2.010 10 0 AEAEMO CC[C@H](C)NCC[NH2+]CC(C)(C)C 40495000 573122103 /nfs/dbraw/zinc/12/21/03/573122103.db2.gz IWYMICYMKBLRLQ-JTQLQIEISA-N 1 1 186.343 2.010 10 0 AEAEMO CCC(CC)C[N@H+]1CCN[C@@H](CC)C1 128762512 573122150 /nfs/dbraw/zinc/12/21/50/573122150.db2.gz TVFGKFPRPOIUER-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC(CC)CN1CC[NH2+][C@@H](CC)C1 128762512 573122157 /nfs/dbraw/zinc/12/21/57/573122157.db2.gz TVFGKFPRPOIUER-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC(CC)C[N@H+]1CCN[C@H](CC)C1 128762295 573122913 /nfs/dbraw/zinc/12/29/13/573122913.db2.gz TVFGKFPRPOIUER-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC(CC)CN1CC[NH2+][C@H](CC)C1 128762295 573122919 /nfs/dbraw/zinc/12/29/19/573122919.db2.gz TVFGKFPRPOIUER-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](C)[NH2+]CCNCC(C)(C)C 40494999 573123015 /nfs/dbraw/zinc/12/30/15/573123015.db2.gz IWYMICYMKBLRLQ-SNVBAGLBSA-N 1 1 186.343 2.010 10 0 AEAEMO CC[C@@H](C)NCC[NH2+]CC(C)(C)C 40494999 573123017 /nfs/dbraw/zinc/12/30/17/573123017.db2.gz IWYMICYMKBLRLQ-SNVBAGLBSA-N 1 1 186.343 2.010 10 0 AEAEMO CC(=O)CC1=CCC[N@H+](C(C)C)C1 257948108 573123215 /nfs/dbraw/zinc/12/32/15/573123215.db2.gz DZRSBWIPACGFRQ-UHFFFAOYSA-N 1 1 181.279 2.006 10 0 AEAEMO CC[C@H](N)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C 42611113 573123531 /nfs/dbraw/zinc/12/35/31/573123531.db2.gz LWLVAHACTSUELT-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](N)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C 42611114 573124214 /nfs/dbraw/zinc/12/42/14/573124214.db2.gz LWLVAHACTSUELT-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CCSC1=[NH+]C(C)(C)C(C)(C)N1 238280977 573124325 /nfs/dbraw/zinc/12/43/25/573124325.db2.gz MEKUAMJQAUTVJV-UHFFFAOYSA-N 1 1 186.324 2.256 10 0 AEAEMO CC(C)[N@H+]1CCC=C(CC[C@@H](C)O)C1 257950226 573124641 /nfs/dbraw/zinc/12/46/41/573124641.db2.gz FBSZHSJVQGTKOR-LLVKDONJSA-N 1 1 197.322 2.188 10 0 AEAEMO CCc1[nH+]ccn1Cc1ccco1 82615349 573125036 /nfs/dbraw/zinc/12/50/36/573125036.db2.gz DXVXTXPLVKKMQM-UHFFFAOYSA-N 1 1 176.219 2.087 10 0 AEAEMO CN(C)C(C)(C)[C@H]([NH3+])C1CCCCC1 85736604 573125254 /nfs/dbraw/zinc/12/52/54/573125254.db2.gz XPEJXIFSJCJUBR-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO Cc1[nH+]ccn1C1CCCC1 82615306 573125611 /nfs/dbraw/zinc/12/56/11/573125611.db2.gz QPKWOMHUXMCNFQ-UHFFFAOYSA-N 1 1 150.225 2.307 10 0 AEAEMO C/C=C/Cn1cc[nH+]c1CC 82615347 573125651 /nfs/dbraw/zinc/12/56/51/573125651.db2.gz OMHDYCSRDQEFSL-HWKANZROSA-N 1 1 150.225 2.022 10 0 AEAEMO CCc1[nH+]ccn1[C@H](C)CC 82615383 573125699 /nfs/dbraw/zinc/12/56/99/573125699.db2.gz KWHVSVLCQAGJPA-MRVPVSSYSA-N 1 1 152.241 2.417 10 0 AEAEMO Cc1[nH+]ccn1-c1ncccc1Cl 82615619 573126367 /nfs/dbraw/zinc/12/63/67/573126367.db2.gz CENKWFGSWWCIKN-UHFFFAOYSA-N 1 1 193.637 2.229 10 0 AEAEMO CC[C@H](C)n1cc[nH+]c1C 82615299 573126944 /nfs/dbraw/zinc/12/69/44/573126944.db2.gz OKFLUOFUUVVSNJ-ZETCQYMHSA-N 1 1 138.214 2.163 10 0 AEAEMO CCc1csc(-n2cc[nH+]c2C)n1 82615610 573127110 /nfs/dbraw/zinc/12/71/10/573127110.db2.gz RPKAMILMCCVWQW-UHFFFAOYSA-N 1 1 193.275 2.200 10 0 AEAEMO CC(C)[N@@H+](Cc1cnoc1)C1CC1 308273262 573127406 /nfs/dbraw/zinc/12/74/06/573127406.db2.gz TWBYOMQNGRVAKM-UHFFFAOYSA-N 1 1 180.251 2.047 10 0 AEAEMO CC(C)[N@H+]1CCC=C(CC[C@H](C)O)C1 257950230 573127554 /nfs/dbraw/zinc/12/75/54/573127554.db2.gz FBSZHSJVQGTKOR-NSHDSACASA-N 1 1 197.322 2.188 10 0 AEAEMO C[NH+](C)C(C)(C)C(=O)c1ccsc1 85734831 573127644 /nfs/dbraw/zinc/12/76/44/573127644.db2.gz KISZASRRXRSXJG-UHFFFAOYSA-N 1 1 197.303 2.271 10 0 AEAEMO CCc1[nH+]ccn1CC(F)(F)F 82615368 573127912 /nfs/dbraw/zinc/12/79/12/573127912.db2.gz IHUPWNFSBFCJQY-UHFFFAOYSA-N 1 1 178.157 2.008 10 0 AEAEMO CCc1[nH+]ccn1[C@@H](C)CC 82615382 573128554 /nfs/dbraw/zinc/12/85/54/573128554.db2.gz KWHVSVLCQAGJPA-QMMMGPOBSA-N 1 1 152.241 2.417 10 0 AEAEMO CC[N@H+]1CCC[C@H]1CCC1(O)CCC1 257951032 573128783 /nfs/dbraw/zinc/12/87/83/573128783.db2.gz IPNNZQSDGZBOCN-NSHDSACASA-N 1 1 197.322 2.166 10 0 AEAEMO CN(C)C(C)(C)[C@@H]([NH3+])C1CCCCC1 85736607 573128818 /nfs/dbraw/zinc/12/88/18/573128818.db2.gz XPEJXIFSJCJUBR-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CCc1[nH+]ccn1Cc1ccc(C)o1 82615338 573129371 /nfs/dbraw/zinc/12/93/71/573129371.db2.gz CBTDMFMTFQPFGZ-UHFFFAOYSA-N 1 1 190.246 2.395 10 0 AEAEMO Cc1[nH+]ccn1-c1ccc(Cl)cn1 82615608 573129414 /nfs/dbraw/zinc/12/94/14/573129414.db2.gz RITJBTJOQVLUTB-UHFFFAOYSA-N 1 1 193.637 2.229 10 0 AEAEMO Cc1[nH+]ccn1Cc1ccsc1 82615327 573129423 /nfs/dbraw/zinc/12/94/23/573129423.db2.gz NFNMLZBMRQAOKN-UHFFFAOYSA-N 1 1 178.260 2.301 10 0 AEAEMO CN(C)C(C)(C)[C@H]([NH3+])c1ccsc1 85736246 573129496 /nfs/dbraw/zinc/12/94/96/573129496.db2.gz BVOAEVKZUDMJIB-SECBINFHSA-N 1 1 198.335 2.088 10 0 AEAEMO Cc1[nH+]c(N)ccc1-c1ccoc1 85729246 573129618 /nfs/dbraw/zinc/12/96/18/573129618.db2.gz GBMVBTMOCSHNPA-UHFFFAOYSA-N 1 1 174.203 2.232 10 0 AEAEMO CN(C)C(C)(C)[C@H]([NH3+])c1cccs1 85737103 573129975 /nfs/dbraw/zinc/12/99/75/573129975.db2.gz PAZAUUGBUTUKDD-SECBINFHSA-N 1 1 198.335 2.088 10 0 AEAEMO CC[C@@H](C)n1cc[nH+]c1C 82615298 573130014 /nfs/dbraw/zinc/13/00/14/573130014.db2.gz OKFLUOFUUVVSNJ-SSDOTTSWSA-N 1 1 138.214 2.163 10 0 AEAEMO Cc1ccc(Cn2cc[nH+]c2C)o1 82615264 573130142 /nfs/dbraw/zinc/13/01/42/573130142.db2.gz YWVJLEKCZYGORP-UHFFFAOYSA-N 1 1 176.219 2.141 10 0 AEAEMO CN(C)C(C)(C)[C@@H]([NH3+])c1cccs1 85737106 573130261 /nfs/dbraw/zinc/13/02/61/573130261.db2.gz PAZAUUGBUTUKDD-VIFPVBQESA-N 1 1 198.335 2.088 10 0 AEAEMO C[NH+](C)C(C)(C)C(=O)c1cccs1 85734902 573131366 /nfs/dbraw/zinc/13/13/66/573131366.db2.gz JGUWFIACXLFHRU-UHFFFAOYSA-N 1 1 197.303 2.271 10 0 AEAEMO CC(C)[N@@H+](Cc1cc[nH]c1)C1CC1 308278042 573132478 /nfs/dbraw/zinc/13/24/78/573132478.db2.gz VYJPMVGPZWGDFR-UHFFFAOYSA-N 1 1 178.279 2.388 10 0 AEAEMO CC[C@H]1[C@@H](C[NH3+])CCCC[N@H+]1C(C)C 238283608 573132499 /nfs/dbraw/zinc/13/24/99/573132499.db2.gz KYHLOLPORPKVBQ-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(F)(F)C[NH2+]CC1(C(F)F)CC1 393503628 573132515 /nfs/dbraw/zinc/13/25/15/573132515.db2.gz NGHIWYUOFHPJPT-UHFFFAOYSA-N 1 1 199.191 2.277 10 0 AEAEMO CC[N@@H+]1CCC(=O)[C@H]1[C@]1(C)CC1(C)C 717148464 573132703 /nfs/dbraw/zinc/13/27/03/573132703.db2.gz IYLTWEIDCCIMCZ-JQWIXIFHSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[N@H+]1CCC(=O)[C@H]1[C@]1(C)CC1(C)C 717148464 573132709 /nfs/dbraw/zinc/13/27/09/573132709.db2.gz IYLTWEIDCCIMCZ-JQWIXIFHSA-N 1 1 195.306 2.086 10 0 AEAEMO CC(C)[C@H]([NH3+])C1(N(C)C)CCCCC1 85753108 573132828 /nfs/dbraw/zinc/13/28/28/573132828.db2.gz DLYOPIHMWWTLOI-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+]1CCC(=O)[C@@H]1[C@]1(C)CC1(C)C 717148467 573132930 /nfs/dbraw/zinc/13/29/30/573132930.db2.gz IYLTWEIDCCIMCZ-PWSUYJOCSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[N@H+]1CCC(=O)[C@@H]1[C@]1(C)CC1(C)C 717148467 573132936 /nfs/dbraw/zinc/13/29/36/573132936.db2.gz IYLTWEIDCCIMCZ-PWSUYJOCSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[N@@H+]1CCC(=O)[C@H]1[C@@]1(C)CC1(C)C 717148462 573133084 /nfs/dbraw/zinc/13/30/84/573133084.db2.gz IYLTWEIDCCIMCZ-CMPLNLGQSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[N@H+]1CCC(=O)[C@H]1[C@@]1(C)CC1(C)C 717148462 573133089 /nfs/dbraw/zinc/13/30/89/573133089.db2.gz IYLTWEIDCCIMCZ-CMPLNLGQSA-N 1 1 195.306 2.086 10 0 AEAEMO CN[C@@H](C)C1([NH+]2CCCC2)CCCC1 85752574 573133350 /nfs/dbraw/zinc/13/33/50/573133350.db2.gz IRMBFKWLGKUUEB-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CCC(CC)C[N@H+]1CCNCC[C@H]1C 128784439 573134155 /nfs/dbraw/zinc/13/41/55/573134155.db2.gz XBMGUFMBQGOLLU-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CN[C@H](C)C(C)(C)[NH+]1CCCCCC1 85742880 573134299 /nfs/dbraw/zinc/13/42/99/573134299.db2.gz MLVIZXGUMMQVFM-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCc1[nH+]c([C@H](CC)CO)[nH]c1C 258535830 573134314 /nfs/dbraw/zinc/13/43/14/573134314.db2.gz JAQKPZNUGKSJHT-SECBINFHSA-N 1 1 196.294 2.157 10 0 AEAEMO CCCc1[nH]c([C@H](CC)CO)[nH+]c1C 258535830 573134319 /nfs/dbraw/zinc/13/43/19/573134319.db2.gz JAQKPZNUGKSJHT-SECBINFHSA-N 1 1 196.294 2.157 10 0 AEAEMO CC[N@@H+]1CCC(=O)[C@@H]1[C@@]1(C)CC1(C)C 717148469 573134618 /nfs/dbraw/zinc/13/46/18/573134618.db2.gz IYLTWEIDCCIMCZ-ZYHUDNBSSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[N@H+]1CCC(=O)[C@@H]1[C@@]1(C)CC1(C)C 717148469 573134621 /nfs/dbraw/zinc/13/46/21/573134621.db2.gz IYLTWEIDCCIMCZ-ZYHUDNBSSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@H]([NH3+])[C@]1(N(C)C)CCC[C@H](C)C1 85753752 573134667 /nfs/dbraw/zinc/13/46/67/573134667.db2.gz XDEGZQQNFVGTOE-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)([C@H]([NH3+])C(C)C)N(C)C 85750682 573134717 /nfs/dbraw/zinc/13/47/17/573134717.db2.gz AOPHOOCPSGWHTF-SNVBAGLBSA-N 1 1 186.343 2.090 10 0 AEAEMO CC1(C)CC(=O)C[N@H+]1C1CCCCC1 259338648 573134724 /nfs/dbraw/zinc/13/47/24/573134724.db2.gz JDTYPPDRCVIFAN-UHFFFAOYSA-N 1 1 195.306 2.373 10 0 AEAEMO CC(C)(C)[C@@H](N)C(C)(C)[NH+]1CCCC1 85740380 573134820 /nfs/dbraw/zinc/13/48/20/573134820.db2.gz NMXBIRNESVMXOT-SNVBAGLBSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]([NH3+])[C@@]1(N(C)C)CCC[C@H](C)C1 85753756 573135278 /nfs/dbraw/zinc/13/52/78/573135278.db2.gz XDEGZQQNFVGTOE-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[NH+](CC)C1([C@@H](C)NC)CCCC1 85752361 573135650 /nfs/dbraw/zinc/13/56/50/573135650.db2.gz NBCMSQUHPXCMOB-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)[C@@H]([NH3+])C1(N(C)C)CCCCC1 85753110 573135811 /nfs/dbraw/zinc/13/58/11/573135811.db2.gz DLYOPIHMWWTLOI-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)C[N@H+]1CCCN[C@@H](C)C1 128781392 573135886 /nfs/dbraw/zinc/13/58/86/573135886.db2.gz JPKVOFGZLSPRLJ-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CN[C@@H](C)C(C)(C)[NH+]1CCCCCC1 85742877 573135943 /nfs/dbraw/zinc/13/59/43/573135943.db2.gz MLVIZXGUMMQVFM-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO C[N@H+]1CCNCC12CCCCCCC2 238299120 573135944 /nfs/dbraw/zinc/13/59/44/573135944.db2.gz LTXZJYZTAVVRTK-UHFFFAOYSA-N 1 1 196.338 2.005 10 0 AEAEMO CN1CC[NH2+]CC12CCCCCCC2 238299120 573135950 /nfs/dbraw/zinc/13/59/50/573135950.db2.gz LTXZJYZTAVVRTK-UHFFFAOYSA-N 1 1 196.338 2.005 10 0 AEAEMO CN(C)C1([C@H]([NH3+])C(C)(C)C)CCCC1 85751861 573136021 /nfs/dbraw/zinc/13/60/21/573136021.db2.gz USQNAMSLJYXPHF-SNVBAGLBSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCc1[nH+]c([C@@H](CC)CO)[nH]c1C 258535836 573136065 /nfs/dbraw/zinc/13/60/65/573136065.db2.gz JAQKPZNUGKSJHT-VIFPVBQESA-N 1 1 196.294 2.157 10 0 AEAEMO CCCc1[nH]c([C@@H](CC)CO)[nH+]c1C 258535836 573136068 /nfs/dbraw/zinc/13/60/68/573136068.db2.gz JAQKPZNUGKSJHT-VIFPVBQESA-N 1 1 196.294 2.157 10 0 AEAEMO C[NH2+][C@H](C(C)C)C(C)(C)N1CCCC1 85740740 573136112 /nfs/dbraw/zinc/13/61/12/573136112.db2.gz JYFMPWBAOKVYEG-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[C@H]([NH3+])C(C)(C)N1CCCCC1 85741447 573136140 /nfs/dbraw/zinc/13/61/40/573136140.db2.gz UANDIQMMNADJIC-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)C[N@H+]1CCCN[C@H](C)C1 128781173 573136254 /nfs/dbraw/zinc/13/62/54/573136254.db2.gz JPKVOFGZLSPRLJ-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(=O)[C@H]1CCC[N@H+](CC=C(C)C)C1 82644693 573136462 /nfs/dbraw/zinc/13/64/62/573136462.db2.gz GNNLKTFLQZKDBD-LBPRGKRZSA-N 1 1 195.306 2.254 10 0 AEAEMO CCC[N@@H+](CC)C[C@H](O)C1CCCC1 158408608 573136745 /nfs/dbraw/zinc/13/67/45/573136745.db2.gz FAWABEDSKIZAJV-LBPRGKRZSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC(CC)C[N@H+]1CCNCC[C@@H]1C 128784196 573137119 /nfs/dbraw/zinc/13/71/19/573137119.db2.gz XBMGUFMBQGOLLU-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)[C@@H]([NH3+])C(C)(C)N1CCCCC1 85741451 573137213 /nfs/dbraw/zinc/13/72/13/573137213.db2.gz UANDIQMMNADJIC-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CN(C)C1([C@@H]([NH3+])C(C)(C)C)CCCC1 85751859 573137417 /nfs/dbraw/zinc/13/74/17/573137417.db2.gz USQNAMSLJYXPHF-JTQLQIEISA-N 1 1 198.354 2.234 10 0 AEAEMO Cc1ccc(F)cc1Cc1[nH]cc[nH+]1 114920791 573137471 /nfs/dbraw/zinc/13/74/71/573137471.db2.gz IMCAVDUUWFKTPH-UHFFFAOYSA-N 1 1 190.221 2.448 10 0 AEAEMO CN[C@H](C)C1([NH+]2CCCC2)CCCC1 85752575 573138301 /nfs/dbraw/zinc/13/83/01/573138301.db2.gz IRMBFKWLGKUUEB-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC[C@H](C(C)=O)C1 82644682 573138570 /nfs/dbraw/zinc/13/85/70/573138570.db2.gz NWMGRQDJWMFTKP-ONGXEEELSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(=O)[C@@H]1CCC[N@H+](C2CCCC2)C1 82644664 573138619 /nfs/dbraw/zinc/13/86/19/573138619.db2.gz URVKCJIYQRTVPD-LLVKDONJSA-N 1 1 195.306 2.230 10 0 AEAEMO CCN(CC)C(C)(C)[C@H]([NH3+])C(C)C 85739196 573138644 /nfs/dbraw/zinc/13/86/44/573138644.db2.gz OMHQKJSUYVHQNU-SNVBAGLBSA-N 1 1 186.343 2.090 10 0 AEAEMO C[N@H+]1CCC[C@H](C2(O)CCCCC2)C1 257956770 573140304 /nfs/dbraw/zinc/14/03/04/573140304.db2.gz IXELFRGGFLULTO-NSHDSACASA-N 1 1 197.322 2.023 10 0 AEAEMO C[N@H+]1CCC[C@@H](C2(O)CCCCC2)C1 257956768 573141164 /nfs/dbraw/zinc/14/11/64/573141164.db2.gz IXELFRGGFLULTO-LLVKDONJSA-N 1 1 197.322 2.023 10 0 AEAEMO CC(=O)[C@H]1CCC[N@H+](C2CCCC2)C1 82644665 573141473 /nfs/dbraw/zinc/14/14/73/573141473.db2.gz URVKCJIYQRTVPD-NSHDSACASA-N 1 1 195.306 2.230 10 0 AEAEMO CC(=O)[C@@H]1CCC[N@H+](CC=C(C)C)C1 82644694 573141629 /nfs/dbraw/zinc/14/16/29/573141629.db2.gz GNNLKTFLQZKDBD-GFCCVEGCSA-N 1 1 195.306 2.254 10 0 AEAEMO CCC[C@H](C)[C@@H](O)c1c[nH+]c(C)n1C 308503807 573142157 /nfs/dbraw/zinc/14/21/57/573142157.db2.gz XUTHFXMMETXSOL-GZMMTYOYSA-N 1 1 196.294 2.198 10 0 AEAEMO CCC[C@@H](C)[C@H](O)c1c[nH+]c(C)n1C 308503808 573141969 /nfs/dbraw/zinc/14/19/69/573141969.db2.gz XUTHFXMMETXSOL-KCJUWKMLSA-N 1 1 196.294 2.198 10 0 AEAEMO C/C=C\C[N@@H+]1CCC[C@@H](OC)CC1 308503024 573142179 /nfs/dbraw/zinc/14/21/79/573142179.db2.gz XVZTYXYBRQNMHO-DLRQAJBASA-N 1 1 183.295 2.063 10 0 AEAEMO C[N@H+](C[C@H](N)CC1CC1)CC(C)(C)C 308503480 573142358 /nfs/dbraw/zinc/14/23/58/573142358.db2.gz XTJZANRECHZVHM-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO C[N@@H+](C[C@H](N)CC1CC1)CC(C)(C)C 308503480 573142363 /nfs/dbraw/zinc/14/23/63/573142363.db2.gz XTJZANRECHZVHM-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(CC)[N@H+]1C[C@@H](CO)CC[C@@H]1C 688716185 573142414 /nfs/dbraw/zinc/14/24/14/573142414.db2.gz HHGFTPCMDKQBOV-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO COCC[N@@H+](C(C)C)[C@H](C)C1CC1 308502610 573142671 /nfs/dbraw/zinc/14/26/71/573142671.db2.gz XQFNADGIJJLGGY-SNVBAGLBSA-N 1 1 185.311 2.142 10 0 AEAEMO CCC[C@@H](C)[C@@H](O)c1c[nH+]c(C)n1C 308503810 573142956 /nfs/dbraw/zinc/14/29/56/573142956.db2.gz XUTHFXMMETXSOL-LDYMZIIASA-N 1 1 196.294 2.198 10 0 AEAEMO CCC[N@@H+](CC)C[C@@H](O)C1CCCC1 158408754 573142970 /nfs/dbraw/zinc/14/29/70/573142970.db2.gz FAWABEDSKIZAJV-GFCCVEGCSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H]1CCCC[C@@H]1[N@H+]1CC[C@H](O)C1 82658725 573143301 /nfs/dbraw/zinc/14/33/01/573143301.db2.gz USBXDEFMQYJWFT-SRVKXCTJSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 82645143 573143518 /nfs/dbraw/zinc/14/35/18/573143518.db2.gz DHOARYOKCTYEGK-LBPRGKRZSA-N 1 1 195.306 2.373 10 0 AEAEMO C[C@@H]1C[C@H]1C[N@@H+](C)[C@@H]1CCCCC1=O 82649127 573143548 /nfs/dbraw/zinc/14/35/48/573143548.db2.gz JFDJXEFGYOCALV-OUAUKWLOSA-N 1 1 195.306 2.086 10 0 AEAEMO CCc1c(C)ccc2[nH+]c(N)[nH]c12 238290967 573143678 /nfs/dbraw/zinc/14/36/78/573143678.db2.gz QENUYZXJWKTLEJ-UHFFFAOYSA-N 1 1 175.235 2.016 10 0 AEAEMO CCC(CC)[N@H+]1C[C@H](CO)CC[C@@H]1C 688716187 573143781 /nfs/dbraw/zinc/14/37/81/573143781.db2.gz HHGFTPCMDKQBOV-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO Cc1cc(C)c2cc[nH+]c(N)c2c1 123720009 573143852 /nfs/dbraw/zinc/14/38/52/573143852.db2.gz BASNVADLARVJKE-UHFFFAOYSA-N 1 1 172.231 2.434 10 0 AEAEMO CC(=O)[C@@H]1CCCC[N@@H+]1CC(C)C 82645030 573144076 /nfs/dbraw/zinc/14/40/76/573144076.db2.gz ZBBPHTCTWQMSGN-NSHDSACASA-N 1 1 183.295 2.086 10 0 AEAEMO CCC(CC)[N@H+]1C[C@H](CO)CC[C@H]1C 688716182 573144372 /nfs/dbraw/zinc/14/43/72/573144372.db2.gz HHGFTPCMDKQBOV-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO COCC[N@@H+](C(C)C)[C@@H](C)C1CC1 308502609 573144313 /nfs/dbraw/zinc/14/43/13/573144313.db2.gz XQFNADGIJJLGGY-JTQLQIEISA-N 1 1 185.311 2.142 10 0 AEAEMO CCC(CC)[N@@H+](C)Cc1ccno1 308503522 573144481 /nfs/dbraw/zinc/14/44/81/573144481.db2.gz YAXCULLKGSNUPN-UHFFFAOYSA-N 1 1 182.267 2.295 10 0 AEAEMO CCC[C@H](C)[C@H](O)c1c[nH+]c(C)n1C 308503809 573144520 /nfs/dbraw/zinc/14/45/20/573144520.db2.gz XUTHFXMMETXSOL-KWQFWETISA-N 1 1 196.294 2.198 10 0 AEAEMO C/C=C/C[N@H+]1CCCC[C@H]1C(C)=O 82645058 573144777 /nfs/dbraw/zinc/14/47/77/573144777.db2.gz YGPUSILPROGKCQ-UFFNRZRYSA-N 1 1 181.279 2.006 10 0 AEAEMO CC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 82645144 573145217 /nfs/dbraw/zinc/14/52/17/573145217.db2.gz DHOARYOKCTYEGK-GFCCVEGCSA-N 1 1 195.306 2.373 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+]1CC(C)(C)C1(C)C 690133629 573145339 /nfs/dbraw/zinc/14/53/39/573145339.db2.gz YLNQFZZPXNBPEI-VIFPVBQESA-N 1 1 197.322 2.474 10 0 AEAEMO CC[C@H]1CCCC[C@H]1[N@H+]1CC[C@H](O)C1 82658727 573145401 /nfs/dbraw/zinc/14/54/01/573145401.db2.gz USBXDEFMQYJWFT-SDDRHHMPSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC(CC)[N@H+]1C[C@@H](CO)CC[C@H]1C 688716183 573145473 /nfs/dbraw/zinc/14/54/73/573145473.db2.gz HHGFTPCMDKQBOV-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO C[N@H+](C[C@@H](N)CC1CC1)CC(C)(C)C 308503481 573145536 /nfs/dbraw/zinc/14/55/36/573145536.db2.gz XTJZANRECHZVHM-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO C[N@@H+](C[C@@H](N)CC1CC1)CC(C)(C)C 308503481 573145540 /nfs/dbraw/zinc/14/55/40/573145540.db2.gz XTJZANRECHZVHM-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO C[NH2+][C@@H](C)c1c[nH]c(CCC(C)C)n1 308507962 573145725 /nfs/dbraw/zinc/14/57/25/573145725.db2.gz ARARMTHYJGCIKZ-VIFPVBQESA-N 1 1 195.310 2.279 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCCC[C@@H]1C(C)=O 82645155 573145803 /nfs/dbraw/zinc/14/58/03/573145803.db2.gz GUJLQODJBHKWHQ-MWLCHTKSSA-N 1 1 183.295 2.228 10 0 AEAEMO C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CCCCC1=O 82649125 573145930 /nfs/dbraw/zinc/14/59/30/573145930.db2.gz JFDJXEFGYOCALV-GMTAPVOTSA-N 1 1 195.306 2.086 10 0 AEAEMO CCC(CC)[N@@H+](C)C[C@@H](N)CC1CC1 308502721 573145952 /nfs/dbraw/zinc/14/59/52/573145952.db2.gz XGIASEUQRGUWRU-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)N(C)C[C@@H]([NH3+])CC1CC1 308502721 573145960 /nfs/dbraw/zinc/14/59/60/573145960.db2.gz XGIASEUQRGUWRU-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)=CCNC[C@H](C(C)C)[NH+](C)C 308502922 573146014 /nfs/dbraw/zinc/14/60/14/573146014.db2.gz HLQQPPMWNNGOSI-GFCCVEGCSA-N 1 1 198.354 2.128 10 0 AEAEMO CC[C@H](C)[N@H+]1CCCC[C@@H]1C(C)=O 82645156 573146311 /nfs/dbraw/zinc/14/63/11/573146311.db2.gz GUJLQODJBHKWHQ-GXSJLCMTSA-N 1 1 183.295 2.228 10 0 AEAEMO CC(C)[C@H]([NH3+])c1[nH]ccc2nccc1-2 89220552 573147358 /nfs/dbraw/zinc/14/73/58/573147358.db2.gz ISYADXGFBDLDMZ-JTQLQIEISA-N 1 1 189.262 2.219 10 0 AEAEMO CC[C@@H]1CCCC[C@@H]1[N@@H+](CC)CCO 82658696 573147574 /nfs/dbraw/zinc/14/75/74/573147574.db2.gz OQQRPPQOSDTAAI-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@H]1CCCC[C@H]1[N@H+]1CC[C@H](O)C1 82658726 573147791 /nfs/dbraw/zinc/14/77/91/573147791.db2.gz USBXDEFMQYJWFT-GRYCIOLGSA-N 1 1 197.322 2.022 10 0 AEAEMO C/C=C/C[N@H+]1CCCC[C@@H]1C(C)=O 82645057 573147878 /nfs/dbraw/zinc/14/78/78/573147878.db2.gz YGPUSILPROGKCQ-PGLGOXFNSA-N 1 1 181.279 2.006 10 0 AEAEMO CC(C)c1[nH]cnc1C1CC[NH2+]CC1 258552455 573147894 /nfs/dbraw/zinc/14/78/94/573147894.db2.gz JFVLKQSZVGBEJQ-UHFFFAOYSA-N 1 1 193.294 2.000 10 0 AEAEMO CC(=O)[C@@H]1CCCC[N@@H+]1CC=C(C)C 82645170 573148082 /nfs/dbraw/zinc/14/80/82/573148082.db2.gz UQUADNYWMJNJDI-LBPRGKRZSA-N 1 1 195.306 2.396 10 0 AEAEMO CC(=O)[C@H]1CCCC[N@@H+]1CC(C)C 82645029 573148499 /nfs/dbraw/zinc/14/84/99/573148499.db2.gz ZBBPHTCTWQMSGN-LLVKDONJSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@H]([NH3+])CN1C[C@H](CC)CC[C@@H]1C 308504243 573149537 /nfs/dbraw/zinc/14/95/37/573149537.db2.gz XYIBJVIOCHTYNR-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CC[C@@H](C)[C@H]1CN 308504649 573148802 /nfs/dbraw/zinc/14/88/02/573148802.db2.gz YGCVGEPCZQXQQZ-GRYCIOLGSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@@H]1CCCC[C@@H]1[N@H+]1CC[C@H](O)C1 82658724 573148845 /nfs/dbraw/zinc/14/88/45/573148845.db2.gz USBXDEFMQYJWFT-WOPDTQHZSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H](N)C[N@H+]1C[C@@H](CC)CC[C@@H]1C 308504242 573148897 /nfs/dbraw/zinc/14/88/97/573148897.db2.gz XYIBJVIOCHTYNR-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]([NH3+])CN1C[C@@H](CC)CC[C@@H]1C 308504242 573148904 /nfs/dbraw/zinc/14/89/04/573148904.db2.gz XYIBJVIOCHTYNR-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCc1ccc2cc[nH+]c(N)c2c1 123727454 573149103 /nfs/dbraw/zinc/14/91/03/573149103.db2.gz FGVGCCJGNFVKKJ-UHFFFAOYSA-N 1 1 172.231 2.379 10 0 AEAEMO Cc1[nH]c(C2CCC(=O)CC2)[nH+]c1C 258551937 573149172 /nfs/dbraw/zinc/14/91/72/573149172.db2.gz KWSUTARJZRSUOK-UHFFFAOYSA-N 1 1 192.262 2.253 10 0 AEAEMO CC[C@H](N)C[N@H+]1C[C@@H](CC)CC[C@H]1C 308504245 573149367 /nfs/dbraw/zinc/14/93/67/573149367.db2.gz XYIBJVIOCHTYNR-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]([NH3+])CN1C[C@@H](CC)CC[C@H]1C 308504245 573149374 /nfs/dbraw/zinc/14/93/74/573149374.db2.gz XYIBJVIOCHTYNR-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(=O)[C@@H](C)[N@H+]1CC(C)(C)C1(C)C 690133625 573149419 /nfs/dbraw/zinc/14/94/19/573149419.db2.gz YLNQFZZPXNBPEI-SECBINFHSA-N 1 1 197.322 2.474 10 0 AEAEMO CC[C@H](N)C[N@H+]1C[C@H](CC)CC[C@@H]1C 308504243 573149530 /nfs/dbraw/zinc/14/95/30/573149530.db2.gz XYIBJVIOCHTYNR-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H]([NH3+])c1[nH]ccc2nccc1-2 89220565 573149586 /nfs/dbraw/zinc/14/95/86/573149586.db2.gz VXTSATDLSSBMKL-SECBINFHSA-N 1 1 189.262 2.363 10 0 AEAEMO CC[C@H]1CC[C@@H](C)[N@@H+](C[C@H](N)CC)C1 308504238 573149814 /nfs/dbraw/zinc/14/98/14/573149814.db2.gz XYIBJVIOCHTYNR-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]1CC[C@@H](C)N(C[C@H]([NH3+])CC)C1 308504238 573149818 /nfs/dbraw/zinc/14/98/18/573149818.db2.gz XYIBJVIOCHTYNR-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[C@@H]([NH3+])c1[nH]ccc2nccc1-2 89220555 573150347 /nfs/dbraw/zinc/15/03/47/573150347.db2.gz ISYADXGFBDLDMZ-SNVBAGLBSA-N 1 1 189.262 2.219 10 0 AEAEMO CC(C)[N@H+]1CCC(C)(C)[C@H](CCO)C1 259348465 573150353 /nfs/dbraw/zinc/15/03/53/573150353.db2.gz SVVHQXWOGYBFJQ-LLVKDONJSA-N 1 1 199.338 2.125 10 0 AEAEMO CCc1cccc2c(N)[nH+]ccc12 123725714 573150523 /nfs/dbraw/zinc/15/05/23/573150523.db2.gz BYVICZCGEJSVHC-UHFFFAOYSA-N 1 1 172.231 2.379 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CC[C@@H](C)[C@@H]1CN 308504655 573150572 /nfs/dbraw/zinc/15/05/72/573150572.db2.gz YGCVGEPCZQXQQZ-WOPDTQHZSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC[C@@H](N)C[N@H+]1[C@H](C)CC[C@H]1CC 308505049 573150696 /nfs/dbraw/zinc/15/06/96/573150696.db2.gz YMKZAFUZLFXVMW-IJLUTSLNSA-N 1 1 198.354 2.377 10 0 AEAEMO CC[C@H]1CC[C@H](C)[N@@H+](C[C@H](N)CC)C1 308504241 573151327 /nfs/dbraw/zinc/15/13/27/573151327.db2.gz XYIBJVIOCHTYNR-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]1CC[C@H](C)N(C[C@H]([NH3+])CC)C1 308504241 573151334 /nfs/dbraw/zinc/15/13/34/573151334.db2.gz XYIBJVIOCHTYNR-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[N@H+]1CCC(C)(C)[C@@H](CCO)C1 259348466 573151832 /nfs/dbraw/zinc/15/18/32/573151832.db2.gz SVVHQXWOGYBFJQ-NSHDSACASA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H](C)[N@H+]1C[C@@H](O)CCC1(C)C 259345529 573151991 /nfs/dbraw/zinc/15/19/91/573151991.db2.gz JKCMZPZYVBOBDS-ZJUUUORDSA-N 1 1 185.311 2.020 10 0 AEAEMO CNc1cc(C)[nH+]c(CC(C)(C)C)n1 82674876 573152191 /nfs/dbraw/zinc/15/21/91/573152191.db2.gz IZUIUFKDYLPNMY-UHFFFAOYSA-N 1 1 193.294 2.415 10 0 AEAEMO CCOc1ccc2cc[nH+]c(N)c2c1 123727192 573152441 /nfs/dbraw/zinc/15/24/41/573152441.db2.gz SFCZYCNVJUPRKR-UHFFFAOYSA-N 1 1 188.230 2.216 10 0 AEAEMO CC[C@@H](C)[N@H+]1C[C@H](O)CCC1(C)C 259345519 573152897 /nfs/dbraw/zinc/15/28/97/573152897.db2.gz JKCMZPZYVBOBDS-NXEZZACHSA-N 1 1 185.311 2.020 10 0 AEAEMO CCCCC(F)(F)C[NH2+]C 258543954 573153199 /nfs/dbraw/zinc/15/31/99/573153199.db2.gz OTCQFMBOZKLQMD-UHFFFAOYSA-N 1 1 151.200 2.031 10 0 AEAEMO C[NH2+]CC(F)(F)CCC(C)C 258542368 573153617 /nfs/dbraw/zinc/15/36/17/573153617.db2.gz OPGDCADOUBEMRK-UHFFFAOYSA-N 1 1 165.227 2.277 10 0 AEAEMO C[N@H+]1CCC[C@H]1c1ccc(N)c(F)c1 238292186 573154001 /nfs/dbraw/zinc/15/40/01/573154001.db2.gz LQLQUOSCDKTGRW-NSHDSACASA-N 1 1 194.253 2.175 10 0 AEAEMO CCC(O)(CC)C[N@H+]1CCC1(C)C 308506695 573154445 /nfs/dbraw/zinc/15/44/45/573154445.db2.gz ZMXQXPYLGBTELU-UHFFFAOYSA-N 1 1 185.311 2.022 10 0 AEAEMO CC(C)CC[N@H+]1CCNC(C)(C)CC1 259348440 573154592 /nfs/dbraw/zinc/15/45/92/573154592.db2.gz SVBVITJQTDDLQC-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)CCN1CC[NH2+]C(C)(C)CC1 259348440 573154598 /nfs/dbraw/zinc/15/45/98/573154598.db2.gz SVBVITJQTDDLQC-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cn[nH]c1C 308506761 573154734 /nfs/dbraw/zinc/15/47/34/573154734.db2.gz JBBWNSNCUFVHEE-NMLBEHRDSA-N 1 1 193.294 2.167 10 0 AEAEMO C[N@H+]1CCC[C@]12CCCC(C)(C)[C@@H]2O 238292872 573154833 /nfs/dbraw/zinc/15/48/33/573154833.db2.gz PHAADWXLMSYGRI-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@@H](O)CCC1(C)C 259345522 573156047 /nfs/dbraw/zinc/15/60/47/573156047.db2.gz JKCMZPZYVBOBDS-UWVGGRQHSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@H](O)CCC1(C)C 259345525 573156872 /nfs/dbraw/zinc/15/68/72/573156872.db2.gz JKCMZPZYVBOBDS-VHSXEESVSA-N 1 1 185.311 2.020 10 0 AEAEMO CC(C)=CC[NH2+]Cc1ncccc1F 308506264 573157342 /nfs/dbraw/zinc/15/73/42/573157342.db2.gz ITCRFTSSCDBNST-UHFFFAOYSA-N 1 1 194.253 2.277 10 0 AEAEMO CC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cn[nH]c1C 308506758 573157735 /nfs/dbraw/zinc/15/77/35/573157735.db2.gz JBBWNSNCUFVHEE-JVUFJMBOSA-N 1 1 193.294 2.167 10 0 AEAEMO CC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cn[nH]c1C 308506765 573157804 /nfs/dbraw/zinc/15/78/04/573157804.db2.gz JBBWNSNCUFVHEE-ZOFUNIGCSA-N 1 1 193.294 2.167 10 0 AEAEMO CCC[C@@H](C)CN1C[C@@H](C)[NH2+]C[C@@H]1C 223619140 573158146 /nfs/dbraw/zinc/15/81/46/573158146.db2.gz HJVKODGTCBJIIQ-UTUOFQBUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1C[C@@H](C)NC[C@@H]1C 223619140 573158135 /nfs/dbraw/zinc/15/81/35/573158135.db2.gz HJVKODGTCBJIIQ-UTUOFQBUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[NH2+]Cc1nc(C)c(CC(C)C)[nH]1 258554595 573158593 /nfs/dbraw/zinc/15/85/93/573158593.db2.gz LCNPGFWIPBGGIU-UHFFFAOYSA-N 1 1 195.310 2.026 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@H]1CCO[C@H]1C 308285630 573159263 /nfs/dbraw/zinc/15/92/63/573159263.db2.gz BRIXBOJKLATKKZ-DCAQKATOSA-N 1 1 185.311 2.284 10 0 AEAEMO CC[N@H+]1CCC[C@H]1C1(O)CCCCC1 257958744 573159561 /nfs/dbraw/zinc/15/95/61/573159561.db2.gz JCRLIISKBYCGOU-NSHDSACASA-N 1 1 197.322 2.166 10 0 AEAEMO CC(C)[N@@H+]1CCC[C@H]1C1(N)CCCC1 257958759 573160462 /nfs/dbraw/zinc/16/04/62/573160462.db2.gz JCXRVGLBDRHDLZ-NSHDSACASA-N 1 1 196.338 2.131 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H]1C1(N)CCCC1 257958759 573160467 /nfs/dbraw/zinc/16/04/67/573160467.db2.gz JCXRVGLBDRHDLZ-NSHDSACASA-N 1 1 196.338 2.131 10 0 AEAEMO CC(C)=CCC[NH2+]Cc1c[nH]c(C)n1 308511010 573160660 /nfs/dbraw/zinc/16/06/60/573160660.db2.gz KXYNMGUUAVLOTP-UHFFFAOYSA-N 1 1 193.294 2.164 10 0 AEAEMO COCC[N@@H+](C)[C@@H](C)CCC(C)C 308284825 573160685 /nfs/dbraw/zinc/16/06/85/573160685.db2.gz BHTQDYOOULRWSX-NSHDSACASA-N 1 1 187.327 2.389 10 0 AEAEMO CC[N@H+]1CCC[C@@H]1C1(O)CCCCC1 257958741 573160753 /nfs/dbraw/zinc/16/07/53/573160753.db2.gz JCRLIISKBYCGOU-LLVKDONJSA-N 1 1 197.322 2.166 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@H]1CCO[C@@H]1C 308285629 573160897 /nfs/dbraw/zinc/16/08/97/573160897.db2.gz BRIXBOJKLATKKZ-AXFHLTTASA-N 1 1 185.311 2.284 10 0 AEAEMO CC(C)[N@@H+]1CCC[C@@H]1C1(N)CCCC1 257958756 573161722 /nfs/dbraw/zinc/16/17/22/573161722.db2.gz JCXRVGLBDRHDLZ-LLVKDONJSA-N 1 1 196.338 2.131 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H]1C1(N)CCCC1 257958756 573161725 /nfs/dbraw/zinc/16/17/25/573161725.db2.gz JCXRVGLBDRHDLZ-LLVKDONJSA-N 1 1 196.338 2.131 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@H]1CCO[C@@H]1C 308285633 573162459 /nfs/dbraw/zinc/16/24/59/573162459.db2.gz BRIXBOJKLATKKZ-HBNTYKKESA-N 1 1 185.311 2.284 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@H]1CCO[C@H]1C 308285631 573162561 /nfs/dbraw/zinc/16/25/61/573162561.db2.gz BRIXBOJKLATKKZ-GARJFASQSA-N 1 1 185.311 2.284 10 0 AEAEMO CC(C)c1oc(C[NH3+])nc1C1CC1 257954736 573163027 /nfs/dbraw/zinc/16/30/27/573163027.db2.gz WUZICZZIFSRBIE-UHFFFAOYSA-N 1 1 180.251 2.134 10 0 AEAEMO C[N@@H+](CCC1CC1)C[C@@H]([NH3+])C(C)(C)C 308507467 573163088 /nfs/dbraw/zinc/16/30/88/573163088.db2.gz JHPUBBIZVXOQFO-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCCC(F)(F)[C@H](C)[NH2+]C 258560192 573163701 /nfs/dbraw/zinc/16/37/01/573163701.db2.gz QLYVEHKNDLWIJN-ZETCQYMHSA-N 1 1 165.227 2.420 10 0 AEAEMO CCC[C@@H]1CCCC[N@H+]1C(C)(C)CN 213053259 573163737 /nfs/dbraw/zinc/16/37/37/573163737.db2.gz RJRIOHJVDGKDFR-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CC(C)[C@H]1CCCC[C@H]1[N@@H+](C)CCN 125789753 573164183 /nfs/dbraw/zinc/16/41/83/573164183.db2.gz CONMKQPQPPXWOD-VXGBXAGGSA-N 1 1 198.354 2.092 10 0 AEAEMO Cc1cc(N)[nH+]cc1-c1ccccn1 82730084 573164824 /nfs/dbraw/zinc/16/48/24/573164824.db2.gz HYHYTMUPTKVKPY-UHFFFAOYSA-N 1 1 185.230 2.034 10 0 AEAEMO C/C=C/C[NH2+][C@@H](C)c1nnc(C)s1 308300431 573165089 /nfs/dbraw/zinc/16/50/89/573165089.db2.gz LRDWUMUVDMAIKC-KPJROHGDSA-N 1 1 197.307 2.073 10 0 AEAEMO CCC(=O)CC[N@@H+](C)CC1CCC1 308289707 573165282 /nfs/dbraw/zinc/16/52/82/573165282.db2.gz GHYLMDCJWATMJC-UHFFFAOYSA-N 1 1 183.295 2.088 10 0 AEAEMO Cc1[nH+]c(N)ccc1-c1ccccn1 82730136 573165295 /nfs/dbraw/zinc/16/52/95/573165295.db2.gz PNWIPACGPCZCKW-UHFFFAOYSA-N 1 1 185.230 2.034 10 0 AEAEMO Cc1ccsc1[C@H](N)CC(C)(C)[NH3+] 259351346 573165338 /nfs/dbraw/zinc/16/53/38/573165338.db2.gz LYZURNNKRWPJTQ-MRVPVSSYSA-N 1 1 198.335 2.184 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@H](CCOC)C1 308299876 573165503 /nfs/dbraw/zinc/16/55/03/573165503.db2.gz LKJCFSOILBPLDP-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[NH2+][C@H](C)c1c[nH]c(C2CCC2)n1 308511989 573166089 /nfs/dbraw/zinc/16/60/89/573166089.db2.gz CMPHBJUJHRDSQG-MRVPVSSYSA-N 1 1 193.294 2.348 10 0 AEAEMO CC(C)[C@@H](C)C[N@H+]1CCCC[C@H]1CN 308511868 573166261 /nfs/dbraw/zinc/16/62/61/573166261.db2.gz KEGBUAKVHLAKFC-RYUDHWBXSA-N 1 1 198.354 2.092 10 0 AEAEMO C/C=C\C[NH2+][C@H](C)c1nnc(C)s1 308300430 573166268 /nfs/dbraw/zinc/16/62/68/573166268.db2.gz LRDWUMUVDMAIKC-IQXGSHKSSA-N 1 1 197.307 2.073 10 0 AEAEMO CCOCC[N@H+]1CCCC12CCC2 308289678 573166331 /nfs/dbraw/zinc/16/63/31/573166331.db2.gz DBRHEZOKAFCYSG-UHFFFAOYSA-N 1 1 183.295 2.041 10 0 AEAEMO CC[NH2+][C@@H](C)c1c[nH]c(C2CCC2)n1 308511990 573167149 /nfs/dbraw/zinc/16/71/49/573167149.db2.gz CMPHBJUJHRDSQG-QMMMGPOBSA-N 1 1 193.294 2.348 10 0 AEAEMO Cc1cccc(Nn2cccc2)[nH+]1 85832298 573167162 /nfs/dbraw/zinc/16/71/62/573167162.db2.gz VXESZKVKZLDIFJ-UHFFFAOYSA-N 1 1 173.219 2.067 10 0 AEAEMO Cc1ccsc1[C@@H](N)CC(C)(C)[NH3+] 259351349 573167310 /nfs/dbraw/zinc/16/73/10/573167310.db2.gz LYZURNNKRWPJTQ-QMMMGPOBSA-N 1 1 198.335 2.184 10 0 AEAEMO C/C=C/C[NH2+][C@H](C)c1nnc(C)s1 308300433 573167741 /nfs/dbraw/zinc/16/77/41/573167741.db2.gz LRDWUMUVDMAIKC-SMMXGFFBSA-N 1 1 197.307 2.073 10 0 AEAEMO CC(C)[C@H](C)C[N@H+]1CCCC[C@H]1CN 308511866 573168107 /nfs/dbraw/zinc/16/81/07/573168107.db2.gz KEGBUAKVHLAKFC-NEPJUHHUSA-N 1 1 198.354 2.092 10 0 AEAEMO Cc1cc[nH+]c(Nn2cccc2)c1 85832038 573168465 /nfs/dbraw/zinc/16/84/65/573168465.db2.gz ICENTEFXLVXZAB-UHFFFAOYSA-N 1 1 173.219 2.067 10 0 AEAEMO CC[C@](C)([C@@H](C)O)[N@@H+](C)C1CCCC1 308512162 573169174 /nfs/dbraw/zinc/16/91/74/573169174.db2.gz CQLYNXABSKMTQA-ZYHUDNBSSA-N 1 1 199.338 2.410 10 0 AEAEMO Cc1cc(N)cc(C[N@H+](C)C2CC2)c1 115231058 573169581 /nfs/dbraw/zinc/16/95/81/573169581.db2.gz FLVRGYSEBJNHAN-UHFFFAOYSA-N 1 1 190.290 2.171 10 0 AEAEMO Cc1ccc(C(C)C)cc1[C@H]([NH3+])CN 104675522 573169736 /nfs/dbraw/zinc/16/97/36/573169736.db2.gz DRBGWLHMNCRQLT-GFCCVEGCSA-N 1 1 192.306 2.077 10 0 AEAEMO CCCCOCC[N@@H+](C)C(C)C 225585325 573169760 /nfs/dbraw/zinc/16/97/60/573169760.db2.gz RPTFRIISOIKBDA-UHFFFAOYSA-N 1 1 173.300 2.143 10 0 AEAEMO Cc1ccc(C(C)C)cc1[C@@H]([NH3+])CN 104676305 573169844 /nfs/dbraw/zinc/16/98/44/573169844.db2.gz DRBGWLHMNCRQLT-LBPRGKRZSA-N 1 1 192.306 2.077 10 0 AEAEMO CCc1ccn2c(N)c[nH+]c2c1Cl 238298349 573169942 /nfs/dbraw/zinc/16/99/42/573169942.db2.gz XSMDYRUQYBRCHU-UHFFFAOYSA-N 1 1 195.653 2.132 10 0 AEAEMO CC[C@](C)([C@@H](C)NC)[N@H+](C)CC1CC1 308508554 573170212 /nfs/dbraw/zinc/17/02/12/573170212.db2.gz AXLRDSFVXKOCQG-ZYHUDNBSSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@](C)([C@@H](C)NC)[N@@H+](C)CC1CC1 308508554 573170220 /nfs/dbraw/zinc/17/02/20/573170220.db2.gz AXLRDSFVXKOCQG-ZYHUDNBSSA-N 1 1 198.354 2.105 10 0 AEAEMO c1ccc(SC[NH2+]C2CC2)cc1 259354232 573172274 /nfs/dbraw/zinc/17/22/74/573172274.db2.gz YYCSPUOXNSAUJS-UHFFFAOYSA-N 1 1 179.288 2.488 10 0 AEAEMO C[N@@H+](CC1CCC1)C1CCC(=O)CC1 85871934 573172332 /nfs/dbraw/zinc/17/23/32/573172332.db2.gz VJFPTXSDRSLNMP-UHFFFAOYSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@](C)([C@H](C)NC)[N@H+](C)CC1CC1 308508551 573173624 /nfs/dbraw/zinc/17/36/24/573173624.db2.gz AXLRDSFVXKOCQG-CMPLNLGQSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@](C)([C@H](C)NC)[N@@H+](C)CC1CC1 308508551 573173631 /nfs/dbraw/zinc/17/36/31/573173631.db2.gz AXLRDSFVXKOCQG-CMPLNLGQSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H]([NH3+])C[C@H](c1cccs1)N(C)C 259353451 573173224 /nfs/dbraw/zinc/17/32/24/573173224.db2.gz FQMGDIRGSWSJSV-RKDXNWHRSA-N 1 1 198.335 2.088 10 0 AEAEMO CNc1[nH]c(C2CCCC2)c(C)[nH+]1 258568366 573173226 /nfs/dbraw/zinc/17/32/26/573173226.db2.gz MXITZBCYFAHJKH-UHFFFAOYSA-N 1 1 179.267 2.417 10 0 AEAEMO CC(C)C[N@@H+](C)C1CCC(=O)CC1 85871746 573173236 /nfs/dbraw/zinc/17/32/36/573173236.db2.gz ZUQAPDLBNSWGKY-UHFFFAOYSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@@](C)([C@@H](C)NC)[N@H+](C)CC1CC1 308508553 573174258 /nfs/dbraw/zinc/17/42/58/573174258.db2.gz AXLRDSFVXKOCQG-PWSUYJOCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@](C)([C@@H](C)NC)[N@@H+](C)CC1CC1 308508553 573174263 /nfs/dbraw/zinc/17/42/63/573174263.db2.gz AXLRDSFVXKOCQG-PWSUYJOCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)[NH2+][C@H]1CCCCC[C@@H]1N 233339003 573174326 /nfs/dbraw/zinc/17/43/26/573174326.db2.gz APOPIXUWOHPGDT-SRVKXCTJSA-N 1 1 198.354 2.425 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)C1CCC(=O)CC1 85871818 573174426 /nfs/dbraw/zinc/17/44/26/573174426.db2.gz XAKNFGCHSSSLSX-SECBINFHSA-N 1 1 183.295 2.228 10 0 AEAEMO C[N@@H+](C1CCCC1)C1CCC(=O)CC1 85871941 573174798 /nfs/dbraw/zinc/17/47/98/573174798.db2.gz FWMDZBNXQXEFKL-UHFFFAOYSA-N 1 1 195.306 2.373 10 0 AEAEMO CCc1c(C)cccc1[C@H]([NH3+])C(C)=O 104681355 573177266 /nfs/dbraw/zinc/17/72/66/573177266.db2.gz MHZWPWDUCXEMEP-GFCCVEGCSA-N 1 1 191.274 2.146 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@@H+](C)[C@@H](C)COC 308292679 573175170 /nfs/dbraw/zinc/17/51/70/573175170.db2.gz IDIZIPZBVJNPER-DCAQKATOSA-N 1 1 187.327 2.388 10 0 AEAEMO C[C@H]([NH3+])C[C@H](c1cccs1)N(C)C 259353433 573175488 /nfs/dbraw/zinc/17/54/88/573175488.db2.gz FQMGDIRGSWSJSV-DTWKUNHWSA-N 1 1 198.335 2.088 10 0 AEAEMO CCC(=O)CC[N@@H+](C)[C@@H](C)C(C)C 308292367 573175495 /nfs/dbraw/zinc/17/54/95/573175495.db2.gz HYMYNCRRKSRHOQ-JTQLQIEISA-N 1 1 185.311 2.332 10 0 AEAEMO C[C@@H]([NH3+])C[C@@H](c1cccs1)N(C)C 259353421 573175739 /nfs/dbraw/zinc/17/57/39/573175739.db2.gz FQMGDIRGSWSJSV-BDAKNGLRSA-N 1 1 198.335 2.088 10 0 AEAEMO C[C@H]([NH3+])C[C@@H](c1cccs1)N(C)C 259353443 573177295 /nfs/dbraw/zinc/17/72/95/573177295.db2.gz FQMGDIRGSWSJSV-IUCAKERBSA-N 1 1 198.335 2.088 10 0 AEAEMO CO[C@@H](C)CCNc1[nH+]cccc1C 308510320 573176021 /nfs/dbraw/zinc/17/60/21/573176021.db2.gz JATCFQKAEBXLHF-JTQLQIEISA-N 1 1 194.278 2.227 10 0 AEAEMO CC[C@H](C)[N@@H+](C)C1CCC(=O)CC1 85871822 573176320 /nfs/dbraw/zinc/17/63/20/573176320.db2.gz XAKNFGCHSSSLSX-VIFPVBQESA-N 1 1 183.295 2.228 10 0 AEAEMO CC[C@H](C)[N@@H+](CCOC)CC(C)C 308293820 573176447 /nfs/dbraw/zinc/17/64/47/573176447.db2.gz JANYFLMROVBYGT-NSHDSACASA-N 1 1 187.327 2.389 10 0 AEAEMO CC(C)=CC[N@H+](C)C1CCC(=O)CC1 85871886 573176537 /nfs/dbraw/zinc/17/65/37/573176537.db2.gz LZHRPRHZFGEVNF-UHFFFAOYSA-N 1 1 195.306 2.396 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@@H+](C)[C@H](C)COC 308292678 573176546 /nfs/dbraw/zinc/17/65/46/573176546.db2.gz IDIZIPZBVJNPER-AXFHLTTASA-N 1 1 187.327 2.388 10 0 AEAEMO CCC(=O)CC[N@@H+](C)[C@H](C)C(C)C 308292369 573176641 /nfs/dbraw/zinc/17/66/41/573176641.db2.gz HYMYNCRRKSRHOQ-SNVBAGLBSA-N 1 1 185.311 2.332 10 0 AEAEMO CC[C@@H](C)[N@@H+](CCOC)CC(C)C 308293819 573176740 /nfs/dbraw/zinc/17/67/40/573176740.db2.gz JANYFLMROVBYGT-LLVKDONJSA-N 1 1 187.327 2.389 10 0 AEAEMO CC[C@H](C)[C@@H](C)[N@@H+](CC)C[C@@H](C)O 308292329 573176818 /nfs/dbraw/zinc/17/68/18/573176818.db2.gz HVFLFRZWLVQOCF-HBNTYKKESA-N 1 1 187.327 2.124 10 0 AEAEMO CC(=O)[C@@H]([NH3+])c1cccc(C(C)C)c1 104681363 573176864 /nfs/dbraw/zinc/17/68/64/573176864.db2.gz UITHGIFLRSGHRY-GFCCVEGCSA-N 1 1 191.274 2.399 10 0 AEAEMO CC[C@H](C)[C@@H](C)[N@@H+](CC)C[C@H](C)O 308292328 573177408 /nfs/dbraw/zinc/17/74/08/573177408.db2.gz HVFLFRZWLVQOCF-GARJFASQSA-N 1 1 187.327 2.124 10 0 AEAEMO CO[C@H](C)CCNc1[nH+]cccc1C 308510321 573178980 /nfs/dbraw/zinc/17/89/80/573178980.db2.gz JATCFQKAEBXLHF-SNVBAGLBSA-N 1 1 194.278 2.227 10 0 AEAEMO C/C=C/C[N@@H+](C)C1CCC(=O)CC1 85872165 573178091 /nfs/dbraw/zinc/17/80/91/573178091.db2.gz IBVALGVLXGCGCO-ONEGZZNKSA-N 1 1 181.279 2.006 10 0 AEAEMO C[NH2+][C@H](C)C(F)(F)CC1CC1 258485894 573178134 /nfs/dbraw/zinc/17/81/34/573178134.db2.gz JOKJYMFMKYMKBW-ZCFIWIBFSA-N 1 1 163.211 2.030 10 0 AEAEMO CC(=O)[C@H]([NH3+])c1cccc(C(C)C)c1 104681365 573178180 /nfs/dbraw/zinc/17/81/80/573178180.db2.gz UITHGIFLRSGHRY-LBPRGKRZSA-N 1 1 191.274 2.399 10 0 AEAEMO C[NH2+][C@@H](C)C(F)(F)CC1CC1 258485890 573178216 /nfs/dbraw/zinc/17/82/16/573178216.db2.gz JOKJYMFMKYMKBW-LURJTMIESA-N 1 1 163.211 2.030 10 0 AEAEMO CC(=O)[C@H]([NH3+])c1c(C)cc(C)cc1C 104680639 573179020 /nfs/dbraw/zinc/17/90/20/573179020.db2.gz VNBHOHKRFFRJJA-LBPRGKRZSA-N 1 1 191.274 2.201 10 0 AEAEMO CCC[N@H+]1CCC(C)(C)[C@H](CCO)C1 259356058 573179106 /nfs/dbraw/zinc/17/91/06/573179106.db2.gz UDEMWCLWIGGEFQ-LLVKDONJSA-N 1 1 199.338 2.127 10 0 AEAEMO CCc1ccc(C)cc1[C@H]([NH3+])C(C)=O 104680626 573179124 /nfs/dbraw/zinc/17/91/24/573179124.db2.gz IPHVGADNPTZEBR-GFCCVEGCSA-N 1 1 191.274 2.146 10 0 AEAEMO CCc1ccc(C)cc1[C@@H]([NH3+])C(C)=O 104680629 573179214 /nfs/dbraw/zinc/17/92/14/573179214.db2.gz IPHVGADNPTZEBR-LBPRGKRZSA-N 1 1 191.274 2.146 10 0 AEAEMO CC[C@H](C)[C@@H](C)[N@@H+](C)[C@@H](C)COC 308292680 573179281 /nfs/dbraw/zinc/17/92/81/573179281.db2.gz IDIZIPZBVJNPER-GARJFASQSA-N 1 1 187.327 2.388 10 0 AEAEMO CCC[N@H+]1CCC(C)(C)[C@@H](CCO)C1 259356061 573180053 /nfs/dbraw/zinc/18/00/53/573180053.db2.gz UDEMWCLWIGGEFQ-NSHDSACASA-N 1 1 199.338 2.127 10 0 AEAEMO CC(=O)[C@@H]([NH3+])c1c(C)cc(C)cc1C 104680636 573179704 /nfs/dbraw/zinc/17/97/04/573179704.db2.gz VNBHOHKRFFRJJA-GFCCVEGCSA-N 1 1 191.274 2.201 10 0 AEAEMO CC[N@@H+](CCC(C)=O)[C@H](C)C(C)C 308294634 573181037 /nfs/dbraw/zinc/18/10/37/573181037.db2.gz JIBAZGTYZQOZAH-LLVKDONJSA-N 1 1 185.311 2.332 10 0 AEAEMO CCc1c(C)cccc1[C@@H]([NH3+])C(C)=O 104681358 573181086 /nfs/dbraw/zinc/18/10/86/573181086.db2.gz MHZWPWDUCXEMEP-LBPRGKRZSA-N 1 1 191.274 2.146 10 0 AEAEMO C[N@H+]1CCCC[C@@H]1CC1(O)CCCC1 257960749 573181672 /nfs/dbraw/zinc/18/16/72/573181672.db2.gz JHNXOFFXLWWUAJ-LLVKDONJSA-N 1 1 197.322 2.166 10 0 AEAEMO C[C@H]1CCC[N@@H+](CCC(C)(C)[NH3+])CC1 82773421 573181912 /nfs/dbraw/zinc/18/19/12/573181912.db2.gz BGSKWTCWUIBBLR-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1CCC(C)(C)[NH3+] 82773468 573182247 /nfs/dbraw/zinc/18/22/47/573182247.db2.gz MIPYYUAHVWSHHF-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CC(C)[C@H](C)C[NH2+]N1CCCCC1 308294550 573182276 /nfs/dbraw/zinc/18/22/76/573182276.db2.gz RKWJOPYDEJLENX-LLVKDONJSA-N 1 1 184.327 2.269 10 0 AEAEMO C[C@H]1CC[N@@H+](CCC(C)(C)[NH3+])[C@H](C)C1 82773332 573182482 /nfs/dbraw/zinc/18/24/82/573182482.db2.gz BFOACAVOJSCQLM-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+](CCC(C)(C)[NH3+])CC1CC1 82773145 573182551 /nfs/dbraw/zinc/18/25/51/573182551.db2.gz XSMCBUXLXBORQV-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[N@@H+](CCC(C)=O)[C@@H](C)C(C)C 308294635 573184692 /nfs/dbraw/zinc/18/46/92/573184692.db2.gz JIBAZGTYZQOZAH-NSHDSACASA-N 1 1 185.311 2.332 10 0 AEAEMO C[C@H]1C[C@@H](C)C[N@@H+](CCC(C)(C)[NH3+])C1 82772850 573185301 /nfs/dbraw/zinc/18/53/01/573185301.db2.gz IQABKYVSIGWHAM-PHIMTYICSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1CCC[N@@H+](CCC(C)(C)[NH3+])[C@@H]1C 82773319 573185325 /nfs/dbraw/zinc/18/53/25/573185325.db2.gz ZABXXIYSESVXPA-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]1CC[N@@H+](CCC(C)(C)[NH3+])[C@H](C)C1 82773331 573185495 /nfs/dbraw/zinc/18/54/95/573185495.db2.gz BFOACAVOJSCQLM-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]1CCC[N@@H+](CCC(C)(C)[NH3+])CC1 82773420 573185803 /nfs/dbraw/zinc/18/58/03/573185803.db2.gz BGSKWTCWUIBBLR-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO C[N@@H+](CCC(C)(C)[NH3+])CC(C)(C)C 82773278 573185849 /nfs/dbraw/zinc/18/58/49/573185849.db2.gz NQCGIKZFTGFEKD-UHFFFAOYSA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@@H](C)N1CCC(C)(C)[C@H]([NH2+]C)C1 259363093 573187789 /nfs/dbraw/zinc/18/77/89/573187789.db2.gz UMVGKFUHBGSETG-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO Cc1cc(C)[nH+]c(N[C@@H](C)N(C)C)c1 142224363 573188923 /nfs/dbraw/zinc/18/89/23/573188923.db2.gz WUKLQUFBONGWAF-SNVBAGLBSA-N 1 1 193.294 2.018 10 0 AEAEMO Cc1cc(C)[nH+]c(N[C@H](C)N(C)C)c1 142224149 573190110 /nfs/dbraw/zinc/19/01/10/573190110.db2.gz WUKLQUFBONGWAF-JTQLQIEISA-N 1 1 193.294 2.018 10 0 AEAEMO CC[C@H](C)N1CCC(C)(C)[C@H]([NH2+]C)C1 259363097 573190341 /nfs/dbraw/zinc/19/03/41/573190341.db2.gz UMVGKFUHBGSETG-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCCC[NH2+][C@@H]1CCN(C)C[C@@H]1C 132030866 573191196 /nfs/dbraw/zinc/19/11/96/573191196.db2.gz QFDGQRZZSSLLEY-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO C/C=C/C[N@@H+](C(C)C)[C@H]1CCOC1 308302555 573191775 /nfs/dbraw/zinc/19/17/75/573191775.db2.gz MRDJOWCAGYOHSI-ZWNMCFTASA-N 1 1 183.295 2.062 10 0 AEAEMO C[C@@H]1C[N@H+](C2(C)CCCC2)CCC1=O 82785555 573193220 /nfs/dbraw/zinc/19/32/20/573193220.db2.gz ZJGKYPSJEKAUAE-SNVBAGLBSA-N 1 1 195.306 2.230 10 0 AEAEMO C/C=C\C[N@@H+](C(C)C)[C@@H]1CCOC1 308302552 573195261 /nfs/dbraw/zinc/19/52/61/573195261.db2.gz MRDJOWCAGYOHSI-DOGVGXBMSA-N 1 1 183.295 2.062 10 0 AEAEMO C[C@@H]1CC[N@H+](C2(C)CCCC2)CCN1 82785662 573195001 /nfs/dbraw/zinc/19/50/01/573195001.db2.gz HYPQNNZJKKHCSW-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@H]1C[N@H+](C2(C)CCCC2)CCC1=O 82785556 573195087 /nfs/dbraw/zinc/19/50/87/573195087.db2.gz ZJGKYPSJEKAUAE-JTQLQIEISA-N 1 1 195.306 2.230 10 0 AEAEMO CC(=O)C[C@H](C)[N@H+]1CC[C@H](C)C[C@H]1C 82792587 573197650 /nfs/dbraw/zinc/19/76/50/573197650.db2.gz JDLYQJICQDVCCC-AXFHLTTASA-N 1 1 197.322 2.474 10 0 AEAEMO CC(=O)C[C@@H](C)[N@H+]1CCCC1(C)C 82792685 573196875 /nfs/dbraw/zinc/19/68/75/573196875.db2.gz GQVYTUPNJMRDKD-SECBINFHSA-N 1 1 183.295 2.228 10 0 AEAEMO CC[C@H](C)[N@@H+](CCC(C)=O)C1CC1 308306784 573196888 /nfs/dbraw/zinc/19/68/88/573196888.db2.gz OWFCLLGQWZSUMM-VIFPVBQESA-N 1 1 183.295 2.228 10 0 AEAEMO CCCc1[nH+]ccn1[C@@H](C)CC(C)=O 82792971 573197051 /nfs/dbraw/zinc/19/70/51/573197051.db2.gz VUAOTKJKZZQCFI-VIFPVBQESA-N 1 1 194.278 2.376 10 0 AEAEMO CC(=O)C[C@H](C)[N@H+]1C[C@@H](C)C[C@@H](C)C1 82791676 573197125 /nfs/dbraw/zinc/19/71/25/573197125.db2.gz ZYOWUTQKKIKLHL-AXFHLTTASA-N 1 1 197.322 2.332 10 0 AEAEMO CC(=O)C[C@H](C)[N@H+]1CC[C@@H](C)C[C@H]1C 82792585 573197272 /nfs/dbraw/zinc/19/72/72/573197272.db2.gz JDLYQJICQDVCCC-MXWKQRLJSA-N 1 1 197.322 2.474 10 0 AEAEMO CC(=O)C[C@H](C)[N@H+]1CCC[C@H](C)CC1 82792732 573197305 /nfs/dbraw/zinc/19/73/05/573197305.db2.gz PQMXQGIHZLLKBL-QWRGUYRKSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(=O)C[C@H](C)[N@H+]1CCC[C@H](C)[C@H]1C 82792575 573197378 /nfs/dbraw/zinc/19/73/78/573197378.db2.gz OIFLLUILCFJVJP-JBLDHEPKSA-N 1 1 197.322 2.474 10 0 AEAEMO CC(C)[N@H+]1CCc2cccc(N)c2C1 82790051 573197431 /nfs/dbraw/zinc/19/74/31/573197431.db2.gz BYFRFCGVYMDHFG-UHFFFAOYSA-N 1 1 190.290 2.035 10 0 AEAEMO CC[N@H+]1CCCC[C@H]1C1(N)CCCC1 257966904 573197549 /nfs/dbraw/zinc/19/75/49/573197549.db2.gz JVKVZMHCNSAEKG-NSHDSACASA-N 1 1 196.338 2.132 10 0 AEAEMO CCN1CCCC[C@H]1C1([NH3+])CCCC1 257966904 573197555 /nfs/dbraw/zinc/19/75/55/573197555.db2.gz JVKVZMHCNSAEKG-NSHDSACASA-N 1 1 196.338 2.132 10 0 AEAEMO CC(C)[N@H+]1CC=C(CC[C@@H](C)O)CC1 257966733 573197774 /nfs/dbraw/zinc/19/77/74/573197774.db2.gz GDFWVNGWFWQFGY-LLVKDONJSA-N 1 1 197.322 2.188 10 0 AEAEMO CC(=O)C[C@H](C)[N@@H+](C)Cc1ccoc1 82792407 573197835 /nfs/dbraw/zinc/19/78/35/573197835.db2.gz MRVMZTDZMWUWTE-VIFPVBQESA-N 1 1 195.262 2.079 10 0 AEAEMO CC[C@@H](C)[N@@H+](CCC(C)=O)C1CC1 308306783 573198064 /nfs/dbraw/zinc/19/80/64/573198064.db2.gz OWFCLLGQWZSUMM-SECBINFHSA-N 1 1 183.295 2.228 10 0 AEAEMO CC(=O)C[C@H](C)[N@H+]1CCC[C@@H](C)C1 82791697 573198106 /nfs/dbraw/zinc/19/81/06/573198106.db2.gz SWRYTANLESBNKX-ZJUUUORDSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(=O)C[C@@H](C)n1c[nH+]c(C)c1C 82792961 573198192 /nfs/dbraw/zinc/19/81/92/573198192.db2.gz BXCGDXKMNNQYQV-SSDOTTSWSA-N 1 1 180.251 2.040 10 0 AEAEMO CCOCC[N@H+]1CC[C@@H](CC)[C@H]1C 308305600 573198272 /nfs/dbraw/zinc/19/82/72/573198272.db2.gz NQUCZZAPNIKPQR-GHMZBOCLSA-N 1 1 185.311 2.143 10 0 AEAEMO C[NH2+][C@@H](c1cc(C)ccc1C)N(C)C 259366856 573198337 /nfs/dbraw/zinc/19/83/37/573198337.db2.gz GCOZXEFZQSZBML-GFCCVEGCSA-N 1 1 192.306 2.083 10 0 AEAEMO CC(C)[N@H+]1CC=C(CC[C@H](C)O)CC1 257966737 573198347 /nfs/dbraw/zinc/19/83/47/573198347.db2.gz GDFWVNGWFWQFGY-NSHDSACASA-N 1 1 197.322 2.188 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@@H](C)CC(C)=O 82791790 573198595 /nfs/dbraw/zinc/19/85/95/573198595.db2.gz JJTWPHBCDSNSNN-JTQLQIEISA-N 1 1 185.311 2.332 10 0 AEAEMO CC(=O)C[C@@H](C)[N@@H+](C)CC1CCC1 82792593 573201060 /nfs/dbraw/zinc/20/10/60/573201060.db2.gz XRLHUOSOWCQKJL-SECBINFHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(=O)C[C@H](C)[N@@H+](C)Cc1ccco1 82792222 573201081 /nfs/dbraw/zinc/20/10/81/573201081.db2.gz PXDOTTVDQDXKTB-VIFPVBQESA-N 1 1 195.262 2.079 10 0 AEAEMO CCC(CC)C[NH2+]C[C@@H](N)CC1CC1 308517237 573201163 /nfs/dbraw/zinc/20/11/63/573201163.db2.gz FRWUDXLEQVPCFQ-LBPRGKRZSA-N 1 1 198.354 2.140 10 0 AEAEMO CCC(CC)C[NH2+]C[C@H](N)CC1CC1 308517236 573201258 /nfs/dbraw/zinc/20/12/58/573201258.db2.gz FRWUDXLEQVPCFQ-GFCCVEGCSA-N 1 1 198.354 2.140 10 0 AEAEMO CCCc1[nH+]ccn1Cc1ccoc1 132071434 573201850 /nfs/dbraw/zinc/20/18/50/573201850.db2.gz IVTRPNXTEXBEHO-UHFFFAOYSA-N 1 1 190.246 2.477 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)CC1(CC)COC1 308307621 573202190 /nfs/dbraw/zinc/20/21/90/573202190.db2.gz PFQPSXAXXRBOTD-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@H]1C[N@@H+](C)[C@@H](CC(C)(C)C)CN1 238311245 573204204 /nfs/dbraw/zinc/20/42/04/573204204.db2.gz BKJYIDXELQMSEJ-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CN(C)[C@@H](CC(C)(C)C)C[NH2+]1 238311245 573204207 /nfs/dbraw/zinc/20/42/07/573204207.db2.gz BKJYIDXELQMSEJ-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(=O)C[C@H](C)[N@H+]1CCCC[C@H]1C 82802794 573206206 /nfs/dbraw/zinc/20/62/06/573206206.db2.gz SLNBPFGPJWXNMK-ZJUUUORDSA-N 1 1 183.295 2.228 10 0 AEAEMO CSC[C@H](C)[N@@H+](C)Cc1cc[nH]c1 308310586 573207800 /nfs/dbraw/zinc/20/78/00/573207800.db2.gz RJJOGPUHVBVMHV-VIFPVBQESA-N 1 1 198.335 2.198 10 0 AEAEMO CC(=O)C[C@@H](C)c1cc(C)c[nH+]c1N 82806960 573206413 /nfs/dbraw/zinc/20/64/13/573206413.db2.gz HKNFYJGVCWSWEJ-MRVPVSSYSA-N 1 1 192.262 2.055 10 0 AEAEMO CSC[C@@H](C)[N@@H+](C)Cc1cc[nH]c1 308310585 573206950 /nfs/dbraw/zinc/20/69/50/573206950.db2.gz RJJOGPUHVBVMHV-SECBINFHSA-N 1 1 198.335 2.198 10 0 AEAEMO CC(C)n1cc[nH+]c1N1CCCCC1 257964488 573207296 /nfs/dbraw/zinc/20/72/96/573207296.db2.gz YUIPAWOVNBHYTC-UHFFFAOYSA-N 1 1 193.294 2.454 10 0 AEAEMO CC1(C)CCC([N@H+]2CC[C@H](O)C2)CC1 107188146 573207375 /nfs/dbraw/zinc/20/73/75/573207375.db2.gz PDCURHPZGDGNNR-NSHDSACASA-N 1 1 197.322 2.022 10 0 AEAEMO CCCC[N@@H+](C)CC1CCC(O)CC1 258586050 573207610 /nfs/dbraw/zinc/20/76/10/573207610.db2.gz FPSFDTRFKABNOI-UHFFFAOYSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@H](C)c1ccc(C(=O)C[NH3+])s1 107188043 573207640 /nfs/dbraw/zinc/20/76/40/573207640.db2.gz GXORNBUWDWPEOB-SSDOTTSWSA-N 1 1 197.303 2.403 10 0 AEAEMO C[C@H](O)C[C@@H](C)[N@@H+](C)CC1CCCC1 82815228 573209680 /nfs/dbraw/zinc/20/96/80/573209680.db2.gz OTZDYWPNPPCBRL-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H](O)C[C@@H](C)[N@H+]1CCCC(C)(C)C1 82815272 573209840 /nfs/dbraw/zinc/20/98/40/573209840.db2.gz BVJHTMPAORFLEC-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](C)[N@@H+](CCOC)CC1CC1 308309123 573209951 /nfs/dbraw/zinc/20/99/51/573209951.db2.gz QAKWBBMGLCNTAF-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO C[C@@H](O)C[C@@H](C)[N@H+]1CCCC(C)(C)C1 82815270 573210144 /nfs/dbraw/zinc/21/01/44/573210144.db2.gz BVJHTMPAORFLEC-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H]1C1(O)CCCC1 257970909 573210342 /nfs/dbraw/zinc/21/03/42/573210342.db2.gz KAZISEVZYBDIDH-NSHDSACASA-N 1 1 197.322 2.164 10 0 AEAEMO C[C@@H](C[C@@H](C)O)[N@H+]1CCCC(C)(C)C1 82815269 573210512 /nfs/dbraw/zinc/21/05/12/573210512.db2.gz BVJHTMPAORFLEC-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC(C)(C)C[N@@H+](C)CC(C)(C)O 308308827 573210690 /nfs/dbraw/zinc/21/06/90/573210690.db2.gz PVLVXTVXZUYQKH-UHFFFAOYSA-N 1 1 187.327 2.125 10 0 AEAEMO CC[C@]1(C)OC(=[NH2+])C=C1NCC(C)C 238306803 573210731 /nfs/dbraw/zinc/21/07/31/573210731.db2.gz OGJRRCCJQDMGAH-NSHDSACASA-N 1 1 196.294 2.292 10 0 AEAEMO C[C@@H](O)C[C@@H](C)[N@H+]1CCCC1(C)C 82815203 573211373 /nfs/dbraw/zinc/21/13/73/573211373.db2.gz HFWVASNENMXSED-NXEZZACHSA-N 1 1 185.311 2.020 10 0 AEAEMO C[C@H](O)C[C@@H](C)[N@H+]1CCCC1(C)C 82815205 573211406 /nfs/dbraw/zinc/21/14/06/573211406.db2.gz HFWVASNENMXSED-ZJUUUORDSA-N 1 1 185.311 2.020 10 0 AEAEMO CCCCCCN1C[C@@H]([NH3+])CC[C@@H]1C 40740142 573216134 /nfs/dbraw/zinc/21/61/34/573216134.db2.gz PHKXPPFHLWMQTQ-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCC[N@@H+]1C[C@@H](N)CC[C@@H]1C 40740142 573216140 /nfs/dbraw/zinc/21/61/40/573216140.db2.gz PHKXPPFHLWMQTQ-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCC[N@H+]1C[C@@H](N)CC[C@@H]1C 40740142 573216147 /nfs/dbraw/zinc/21/61/47/573216147.db2.gz PHKXPPFHLWMQTQ-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[NH2+]C[C@@H](N)CC1CCCCC1 308520799 573216656 /nfs/dbraw/zinc/21/66/56/573216656.db2.gz HOAUFOXVYXHFKY-LBPRGKRZSA-N 1 1 198.354 2.284 10 0 AEAEMO CCOCC[N@@H+](C)[C@@H](C)CC1CC1 308317068 573216376 /nfs/dbraw/zinc/21/63/76/573216376.db2.gz XSDFCKRQLFKCOO-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO CC(C)[N@@H+](C)[C@H]1[C@@H](C)C[C@@H](C)C[C@H]1O 82830968 573217932 /nfs/dbraw/zinc/21/79/32/573217932.db2.gz GAYHUNUQKBKFFC-KXNHARMFSA-N 1 1 199.338 2.122 10 0 AEAEMO C[C@@H]1CC([N@@H+]2CCC(=O)C2)C[C@@H](C)C1 82835147 573217749 /nfs/dbraw/zinc/21/77/49/573217749.db2.gz UUWLPZIIDDHDAD-UWVGGRQHSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@@H]1CC([N@H+]2CCC(=O)C2)C[C@@H](C)C1 82835147 573217757 /nfs/dbraw/zinc/21/77/57/573217757.db2.gz UUWLPZIIDDHDAD-UWVGGRQHSA-N 1 1 195.306 2.086 10 0 AEAEMO Cc1cc(O)cc2[nH+]c(C3CC3)[nH]c12 115748223 573219585 /nfs/dbraw/zinc/21/95/85/573219585.db2.gz AQPWSVNTTVPCAG-UHFFFAOYSA-N 1 1 188.230 2.454 10 0 AEAEMO CCCCC[N@H+]1C[C@@H](N)CCC1(C)C 259378896 573219613 /nfs/dbraw/zinc/21/96/13/573219613.db2.gz LCJKBRHJGHQAMW-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCN1C[C@@H]([NH3+])CCC1(C)C 259378896 573219617 /nfs/dbraw/zinc/21/96/17/573219617.db2.gz LCJKBRHJGHQAMW-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[N@H+]1C[C@H](N)CCC1(C)C 259378893 573219804 /nfs/dbraw/zinc/21/98/04/573219804.db2.gz LCJKBRHJGHQAMW-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCN1C[C@H]([NH3+])CCC1(C)C 259378893 573219807 /nfs/dbraw/zinc/21/98/07/573219807.db2.gz LCJKBRHJGHQAMW-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[N@@H+](C)C[C@@H]1C(=O)C[C@@H](C)C[C@H]1C 82832415 573220021 /nfs/dbraw/zinc/22/00/21/573220021.db2.gz YWVLUXUGZQKMSE-AXFHLTTASA-N 1 1 197.322 2.189 10 0 AEAEMO CCC(CC)C[N@@H+]1CCCC(=O)C1 129133129 573220039 /nfs/dbraw/zinc/22/00/39/573220039.db2.gz MHZBVYNDDAKQFP-UHFFFAOYSA-N 1 1 183.295 2.088 10 0 AEAEMO CCC(CC)C[N@H+]1CCCC(=O)C1 129133129 573220045 /nfs/dbraw/zinc/22/00/45/573220045.db2.gz MHZBVYNDDAKQFP-UHFFFAOYSA-N 1 1 183.295 2.088 10 0 AEAEMO CCC[N@@H+](C1CC1)[C@@](C)(CC)[C@@H](C)N 308518440 573220379 /nfs/dbraw/zinc/22/03/79/573220379.db2.gz GJWZAINLCMJYND-PWSUYJOCSA-N 1 1 198.354 2.377 10 0 AEAEMO CCOC[C@@H](C)[N@H+]1CC[C@@H](CC)C1 308318868 573221599 /nfs/dbraw/zinc/22/15/99/573221599.db2.gz YXVJPFCRRXWDOU-GHMZBOCLSA-N 1 1 185.311 2.143 10 0 AEAEMO C[C@H]1CC([N@@H+]2CCC(=O)C2)C[C@H](C)C1 82835148 573221099 /nfs/dbraw/zinc/22/10/99/573221099.db2.gz UUWLPZIIDDHDAD-NXEZZACHSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@H]1CC([N@H+]2CCC(=O)C2)C[C@H](C)C1 82835148 573221107 /nfs/dbraw/zinc/22/11/07/573221107.db2.gz UUWLPZIIDDHDAD-NXEZZACHSA-N 1 1 195.306 2.086 10 0 AEAEMO CCCN(CC(C)C)[C@@H](CC)C(N)=[NH2+] 308519423 573221158 /nfs/dbraw/zinc/22/11/58/573221158.db2.gz WUWOMANZLIZVHV-JTQLQIEISA-N 1 1 199.342 2.069 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC[C@@H](O)C1(C)C 259381700 573221212 /nfs/dbraw/zinc/22/12/12/573221212.db2.gz LHGNXNPRBIZCEP-VHSXEESVSA-N 1 1 185.311 2.020 10 0 AEAEMO CCOC[C@H](C)[N@H+]1CC[C@@H](CC)C1 308318871 573221219 /nfs/dbraw/zinc/22/12/19/573221219.db2.gz YXVJPFCRRXWDOU-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[N@@H+](C1CC1)[C@](C)(CC)[C@H](C)N 308518438 573221525 /nfs/dbraw/zinc/22/15/25/573221525.db2.gz GJWZAINLCMJYND-CMPLNLGQSA-N 1 1 198.354 2.377 10 0 AEAEMO CCOC[C@H](C)[N@H+]1CCC(C)(C)C1 308318961 573222033 /nfs/dbraw/zinc/22/20/33/573222033.db2.gz ZCOHCKDYUKZWEI-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCC[C@@H](O)C1(C)C 259381698 573222045 /nfs/dbraw/zinc/22/20/45/573222045.db2.gz LHGNXNPRBIZCEP-NXEZZACHSA-N 1 1 185.311 2.020 10 0 AEAEMO CCC[N@@H+](C)[C@H]1[C@@H](O)C[C@@H](C)C[C@H]1C 82830994 573222058 /nfs/dbraw/zinc/22/20/58/573222058.db2.gz DELIYEGTUNXTGL-WHOHXGKFSA-N 1 1 199.338 2.124 10 0 AEAEMO CCOC[C@@H](C)[N@H+]1CC[C@H](CC)C1 308318869 573223362 /nfs/dbraw/zinc/22/33/62/573223362.db2.gz YXVJPFCRRXWDOU-MNOVXSKESA-N 1 1 185.311 2.143 10 0 AEAEMO CCN(C)[C@]1(C[NH3+])CC[C@H](C)[C@H](C)C1 82837874 573227546 /nfs/dbraw/zinc/22/75/46/573227546.db2.gz MJURBTKERSUNLD-QJPTWQEYSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](C(C)C)[N@@H+](C)CCCOC 308311226 573226491 /nfs/dbraw/zinc/22/64/91/573226491.db2.gz RMBUWUOHAMFIRY-NSHDSACASA-N 1 1 187.327 2.389 10 0 AEAEMO CCC(CC)[N@H+](CCO)[C@H](C)CC 50107109 573227247 /nfs/dbraw/zinc/22/72/47/573227247.db2.gz OBBHMQVTTIEMQQ-SNVBAGLBSA-N 1 1 187.327 2.268 10 0 AEAEMO CC(=O)CCCC[N@H+]1C[C@@H](C)[C@@H](C)C1 86010832 573227259 /nfs/dbraw/zinc/22/72/59/573227259.db2.gz NEPPPOSHEYFAJK-PHIMTYICSA-N 1 1 197.322 2.334 10 0 AEAEMO CC[N@@H+](C)[C@]1(CN)CC[C@H](C)[C@H](C)C1 82837874 573227543 /nfs/dbraw/zinc/22/75/43/573227543.db2.gz MJURBTKERSUNLD-QJPTWQEYSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H](C)[N@@H+]1C[C@H](C)[C@@](C)(CN)C1 308520733 573228516 /nfs/dbraw/zinc/22/85/16/573228516.db2.gz XRTRNEJRKMILTO-SRVKXCTJSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@@](C)(CN)C1 308520734 573228147 /nfs/dbraw/zinc/22/81/47/573228147.db2.gz XRTRNEJRKMILTO-WOPDTQHZSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H](C)[N@H+]1C[C@@H](C)[C@@](C)(CN)C1 308520734 573228152 /nfs/dbraw/zinc/22/81/52/573228152.db2.gz XRTRNEJRKMILTO-WOPDTQHZSA-N 1 1 198.354 2.092 10 0 AEAEMO C/C=C\C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C 308310950 573228212 /nfs/dbraw/zinc/22/82/12/573228212.db2.gz RGXCKIMVDLZYTA-KCFTWOIDSA-N 1 1 183.295 2.060 10 0 AEAEMO CCCC[N@H+]1CC[C@H](CO)C(C)(C)C1 259385213 573229241 /nfs/dbraw/zinc/22/92/41/573229241.db2.gz WLXHSZSPTHYNFV-LLVKDONJSA-N 1 1 199.338 2.127 10 0 AEAEMO CC[C@H]1CCC[C@@H]([N@@H+]2CCC(=O)C2)C1 82847751 573229251 /nfs/dbraw/zinc/22/92/51/573229251.db2.gz XZNUZQNOTVJKJG-WDEREUQCSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@H]1CCC[C@@H]([N@H+]2CCC(=O)C2)C1 82847751 573229257 /nfs/dbraw/zinc/22/92/57/573229257.db2.gz XZNUZQNOTVJKJG-WDEREUQCSA-N 1 1 195.306 2.230 10 0 AEAEMO CCOC[C@H](C)[N@H+]1CCC[C@@H](C)C1 308313932 573230648 /nfs/dbraw/zinc/23/06/48/573230648.db2.gz UUXQZSCOALAFCC-MNOVXSKESA-N 1 1 185.311 2.143 10 0 AEAEMO CC[N@@H+](CC1CC1)[C@@](C)(CC)[C@H](C)O 308525626 573230628 /nfs/dbraw/zinc/23/06/28/573230628.db2.gz IRYFDNVIMZAPGC-JQWIXIFHSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@H+]1CCC[C@](O)(C=C(C)C)CC1 86021329 573230821 /nfs/dbraw/zinc/23/08/21/573230821.db2.gz QECSUVKAYGPDBT-GFCCVEGCSA-N 1 1 197.322 2.190 10 0 AEAEMO CC(C)CC[N@@H+](CCCO)C(C)C 50105478 573230857 /nfs/dbraw/zinc/23/08/57/573230857.db2.gz JWOGPLVITCKRPL-UHFFFAOYSA-N 1 1 187.327 2.125 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCCC[C@@H]1CCO 50104814 573230952 /nfs/dbraw/zinc/23/09/52/573230952.db2.gz GUKGZGRQLNUPFW-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[C@@H](C)[NH2+]C[C@@]1(C)CCCCN1 308525625 573231170 /nfs/dbraw/zinc/23/11/70/573231170.db2.gz IXFYGYWVCNVTFU-VXGBXAGGSA-N 1 1 198.354 2.297 10 0 AEAEMO CCC[C@@H](C)[NH2+]C[C@]1(C)CCCCN1 308525617 573231214 /nfs/dbraw/zinc/23/12/14/573231214.db2.gz IXFYGYWVCNVTFU-NEPJUHHUSA-N 1 1 198.354 2.297 10 0 AEAEMO CC[C@H](CNC1CC(C(C)C)C1)[NH2+]C 714659129 573231303 /nfs/dbraw/zinc/23/13/03/573231303.db2.gz KYTHMPQSCBKJJB-MOENNCHZSA-N 1 1 198.354 2.009 10 0 AEAEMO CC[C@H](C[NH2+]C1CC(C(C)C)C1)NC 714659129 573231309 /nfs/dbraw/zinc/23/13/09/573231309.db2.gz KYTHMPQSCBKJJB-MOENNCHZSA-N 1 1 198.354 2.009 10 0 AEAEMO CC[C@@H](C)[N@@H+](C[C@H](C)OC)C1CC1 308313163 573231544 /nfs/dbraw/zinc/23/15/44/573231544.db2.gz SUCLZCAZGISPQE-ZJUUUORDSA-N 1 1 185.311 2.284 10 0 AEAEMO CC[N@H+]1CCC[C@@](O)(C=C(C)C)CC1 86021338 573231617 /nfs/dbraw/zinc/23/16/17/573231617.db2.gz QECSUVKAYGPDBT-LBPRGKRZSA-N 1 1 197.322 2.190 10 0 AEAEMO CCOCC[N@@H+](C)[C@H](CC)C(C)C 308313051 573231824 /nfs/dbraw/zinc/23/18/24/573231824.db2.gz UBRPMRHVWUREGP-LLVKDONJSA-N 1 1 187.327 2.389 10 0 AEAEMO CCOCC[N@@H+](C)[C@@H](CC)C(C)C 308313052 573231892 /nfs/dbraw/zinc/23/18/92/573231892.db2.gz UBRPMRHVWUREGP-NSHDSACASA-N 1 1 187.327 2.389 10 0 AEAEMO CC(C)C[N@H+]1CC[C@@H](CO)CC1(C)C 259386985 573232129 /nfs/dbraw/zinc/23/21/29/573232129.db2.gz LOFQPCGWLFWHLO-LLVKDONJSA-N 1 1 199.338 2.125 10 0 AEAEMO CCOC[C@H](C)[N@H+]1CCC[C@H](C)C1 308313933 573232148 /nfs/dbraw/zinc/23/21/48/573232148.db2.gz UUXQZSCOALAFCC-QWRGUYRKSA-N 1 1 185.311 2.143 10 0 AEAEMO CCCC[N@H+]1CC[C@@H](CO)C(C)(C)C1 259385217 573232420 /nfs/dbraw/zinc/23/24/20/573232420.db2.gz WLXHSZSPTHYNFV-NSHDSACASA-N 1 1 199.338 2.127 10 0 AEAEMO CC[N@@H+](CC1CC1)[C@](C)(CC)[C@H](C)O 308525618 573232593 /nfs/dbraw/zinc/23/25/93/573232593.db2.gz IRYFDNVIMZAPGC-CMPLNLGQSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[N@@H+](CC(C)C)[C@H]1CCC[C@@H]1O 308524420 573232606 /nfs/dbraw/zinc/23/26/06/573232606.db2.gz ZWUNVYBHZXHBRX-RYUDHWBXSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCCC[N@@H+](CCN)CC(C)C 42691068 573232768 /nfs/dbraw/zinc/23/27/68/573232768.db2.gz SZYASPCXDOVVTR-UHFFFAOYSA-N 1 1 186.343 2.093 10 0 AEAEMO CCC(CC)[N@H+](CC=C(C)C)CCO 50107100 573232835 /nfs/dbraw/zinc/23/28/35/573232835.db2.gz JLXGUMWXZUGQGF-UHFFFAOYSA-N 1 1 199.338 2.436 10 0 AEAEMO Cc1[nH+]c(N)[nH]c1CC1CCCCC1 258601600 573232845 /nfs/dbraw/zinc/23/28/45/573232845.db2.gz AIFQHXQHKQDQFY-UHFFFAOYSA-N 1 1 193.294 2.423 10 0 AEAEMO C[C@H]1C[C@@H]([N@@H+]2CCC(=O)C2)CC[C@H]1C 82846502 573232950 /nfs/dbraw/zinc/23/29/50/573232950.db2.gz CBXYHDZNCAOLKS-VWYCJHECSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@H]1C[C@@H]([N@H+]2CCC(=O)C2)CC[C@H]1C 82846502 573232955 /nfs/dbraw/zinc/23/29/55/573232955.db2.gz CBXYHDZNCAOLKS-VWYCJHECSA-N 1 1 195.306 2.086 10 0 AEAEMO CCn1c[nH+]c(-c2ccccc2)c1N 104900857 573232972 /nfs/dbraw/zinc/23/29/72/573232972.db2.gz CSKWZDBMIMJUEX-UHFFFAOYSA-N 1 1 187.246 2.152 10 0 AEAEMO CC(C)C[N@@H+](CCN)CC1CCCC1 42691107 573232988 /nfs/dbraw/zinc/23/29/88/573232988.db2.gz AVQVPVAKPMSSFP-UHFFFAOYSA-N 1 1 198.354 2.093 10 0 AEAEMO CC[C@H](C)[N@@H+](C[C@@H](C)OC)C1CC1 308313162 573233071 /nfs/dbraw/zinc/23/30/71/573233071.db2.gz SUCLZCAZGISPQE-VHSXEESVSA-N 1 1 185.311 2.284 10 0 AEAEMO CCOC[C@@H](C)[N@H+]1CCC[C@H](C)C1 308313934 573233125 /nfs/dbraw/zinc/23/31/25/573233125.db2.gz UUXQZSCOALAFCC-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@H](C)[N@@H+](C[C@H](C)OC)C1CC1 308313161 573233141 /nfs/dbraw/zinc/23/31/41/573233141.db2.gz SUCLZCAZGISPQE-UWVGGRQHSA-N 1 1 185.311 2.284 10 0 AEAEMO CC[N@@H+](CC1CC1)[C@@](C)(CC)[C@@H](C)O 308525634 573233388 /nfs/dbraw/zinc/23/33/88/573233388.db2.gz IRYFDNVIMZAPGC-PWSUYJOCSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H](C)[NH2+]C[C@@]1(C)CCCCN1 308525621 573233455 /nfs/dbraw/zinc/23/34/55/573233455.db2.gz IXFYGYWVCNVTFU-NWDGAFQWSA-N 1 1 198.354 2.297 10 0 AEAEMO CCCCC[N@@H+](CCN)CCCC 42690998 573233509 /nfs/dbraw/zinc/23/35/09/573233509.db2.gz GAGUXOIVNWRWGA-UHFFFAOYSA-N 1 1 186.343 2.237 10 0 AEAEMO CCCCCN(CC[NH3+])CCCC 42690998 573233513 /nfs/dbraw/zinc/23/35/13/573233513.db2.gz GAGUXOIVNWRWGA-UHFFFAOYSA-N 1 1 186.343 2.237 10 0 AEAEMO CC[N@@H+](CC1CC1)[C@](C)(CC)[C@@H](C)O 308525645 573233741 /nfs/dbraw/zinc/23/37/41/573233741.db2.gz IRYFDNVIMZAPGC-ZYHUDNBSSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H](CNC1CC(C(C)C)C1)[NH2+]C 714659127 573233747 /nfs/dbraw/zinc/23/37/47/573233747.db2.gz KYTHMPQSCBKJJB-CXQJBGSLSA-N 1 1 198.354 2.009 10 0 AEAEMO CC[C@@H](C[NH2+]C1CC(C(C)C)C1)NC 714659127 573233751 /nfs/dbraw/zinc/23/37/51/573233751.db2.gz KYTHMPQSCBKJJB-CXQJBGSLSA-N 1 1 198.354 2.009 10 0 AEAEMO CC[C@@H](C)[N@@H+](C[C@@H](C)OC)C1CC1 308313160 573234158 /nfs/dbraw/zinc/23/41/58/573234158.db2.gz SUCLZCAZGISPQE-NXEZZACHSA-N 1 1 185.311 2.284 10 0 AEAEMO CNc1c(C)cc([NH+](C)C)cc1C 238322652 573234814 /nfs/dbraw/zinc/23/48/14/573234814.db2.gz MVYIVYLZDRISPX-UHFFFAOYSA-N 1 1 178.279 2.411 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)CC(C)(C)CCO 308316231 573234835 /nfs/dbraw/zinc/23/48/35/573234835.db2.gz VOSSESHSLXKYJM-SNVBAGLBSA-N 1 1 187.327 2.125 10 0 AEAEMO C[N@H+]1CC[C@@H]2CCc3ccncc3[C@@H]21 9315 573235568 /nfs/dbraw/zinc/23/55/68/573235568.db2.gz ZZGFWRKTYORFQP-CMPLNLGQSA-N 1 1 188.274 2.021 10 0 AEAEMO CC[N@@H+](CCCO)CC(C)(C)CC 308323695 573235547 /nfs/dbraw/zinc/23/55/47/573235547.db2.gz DBYYVLVDFVARTH-UHFFFAOYSA-N 1 1 187.327 2.127 10 0 AEAEMO CCCCCC[N@H+]1CC[C@H](OC)C1 308323344 573238117 /nfs/dbraw/zinc/23/81/17/573238117.db2.gz CYQTYPPKIPUDTD-NSHDSACASA-N 1 1 185.311 2.287 10 0 AEAEMO CC[C@@H](C)C[N@H+](C)CC1(NC)CCC1 308528068 573238177 /nfs/dbraw/zinc/23/81/77/573238177.db2.gz PUPIDVPLFPRGTH-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)CC1(NC)CCC1 308528068 573238182 /nfs/dbraw/zinc/23/81/82/573238182.db2.gz PUPIDVPLFPRGTH-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCCC[N@@H+](C)C(C)(C)CN 50090790 573238216 /nfs/dbraw/zinc/23/82/16/573238216.db2.gz RLUHSHUDXGOMOG-UHFFFAOYSA-N 1 1 186.343 2.236 10 0 AEAEMO CCCCCCN(C)C(C)(C)C[NH3+] 50090790 573238223 /nfs/dbraw/zinc/23/82/23/573238223.db2.gz RLUHSHUDXGOMOG-UHFFFAOYSA-N 1 1 186.343 2.236 10 0 AEAEMO CC1(C)CC[N@H+](C(C)(C)C)C[C@H]1CO 259389685 573238267 /nfs/dbraw/zinc/23/82/67/573238267.db2.gz WSKGQPKSFJVLFH-JTQLQIEISA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@]1(CN)CC[C@H]1C 308528266 573238522 /nfs/dbraw/zinc/23/85/22/573238522.db2.gz JTYXPIHMIRVEFK-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@]1(CN)CC[C@H]1C 308528260 573238548 /nfs/dbraw/zinc/23/85/48/573238548.db2.gz JTYXPIHMIRVEFK-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](C)[C@]1(CN)CCC[C@H](C)[C@@H]1C 82859908 573240367 /nfs/dbraw/zinc/24/03/67/573240367.db2.gz WORRKUGDUPZZRN-SRVKXCTJSA-N 1 1 198.354 2.092 10 0 AEAEMO Cc1[nH+]ccn1CCCC(F)F 688737270 573239948 /nfs/dbraw/zinc/23/99/48/573239948.db2.gz DVHKOSMVZMEJKC-UHFFFAOYSA-N 1 1 174.194 2.237 10 0 AEAEMO CC(C)CC[N@H+]1CC[C@@H](CO)C1(C)C 259386813 573240134 /nfs/dbraw/zinc/24/01/34/573240134.db2.gz LNFLRWFKXFCBSZ-NSHDSACASA-N 1 1 199.338 2.125 10 0 AEAEMO CCCCC[N@@H+](CC)C(C)(C)CN 50090975 573240178 /nfs/dbraw/zinc/24/01/78/573240178.db2.gz RXXAKLHEMNSKDX-UHFFFAOYSA-N 1 1 186.343 2.236 10 0 AEAEMO C[N@@H+](CCC(C)(C)C)C(C)(C)CN 50090744 573240309 /nfs/dbraw/zinc/24/03/09/573240309.db2.gz NSWJOYPTPJINTK-UHFFFAOYSA-N 1 1 186.343 2.092 10 0 AEAEMO CN(CCC(C)(C)C)C(C)(C)C[NH3+] 50090744 573240315 /nfs/dbraw/zinc/24/03/15/573240315.db2.gz NSWJOYPTPJINTK-UHFFFAOYSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC(CC)C[N@@H+](C)[C@@H](C)CC(N)=[NH2+] 129158827 573241773 /nfs/dbraw/zinc/24/17/73/573241773.db2.gz MZDVUXXCNLLEHX-VIFPVBQESA-N 1 1 199.342 2.069 10 0 AEAEMO CC[C@@H](CN)[N@@H+](CC)CC(C)(C)C 393578504 573241781 /nfs/dbraw/zinc/24/17/81/573241781.db2.gz ADQUNSOFGADCFM-JTQLQIEISA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@H](CN)[N@@H+](CC)CC(C)(C)C 393578505 573242318 /nfs/dbraw/zinc/24/23/18/573242318.db2.gz ADQUNSOFGADCFM-SNVBAGLBSA-N 1 1 186.343 2.092 10 0 AEAEMO CC(=O)CCC[N@H+](C)Cc1ccoc1 50151082 573243198 /nfs/dbraw/zinc/24/31/98/573243198.db2.gz FKYBWRLGXPJXBV-UHFFFAOYSA-N 1 1 195.262 2.081 10 0 AEAEMO CC[C@H](C)[C@@H](C)[N@@H+](C)CCCOC 308320462 573245397 /nfs/dbraw/zinc/24/53/97/573245397.db2.gz YGQVAGPYNVKITF-WDEREUQCSA-N 1 1 187.327 2.389 10 0 AEAEMO CNC([NH2+]C)c1cc(C)c(C)cc1C 259604236 573244850 /nfs/dbraw/zinc/24/48/50/573244850.db2.gz YEUDVGDRWYKOBR-UHFFFAOYSA-N 1 1 192.306 2.049 10 0 AEAEMO C[N@@H+](Cc1ccc(F)cc1N)C1CC1 82864499 573244870 /nfs/dbraw/zinc/24/48/70/573244870.db2.gz MFFLMFCEWFKTQL-UHFFFAOYSA-N 1 1 194.253 2.002 10 0 AEAEMO CC[NH+](CC)CC[C@H](N)C=C(C)C 86059085 573245030 /nfs/dbraw/zinc/24/50/30/573245030.db2.gz WRMRFEXTINEXRZ-NSHDSACASA-N 1 1 184.327 2.012 10 0 AEAEMO CCCC[C@]1(O)CC[N@H+]2CCCC[C@@H]21 123900516 573245163 /nfs/dbraw/zinc/24/51/63/573245163.db2.gz XWEFSGDCHFDFLG-NEPJUHHUSA-N 1 1 197.322 2.166 10 0 AEAEMO CC(C)[C@H](C)[C@H](CN)[N@@H+](C)C1CCC1 308522365 573246405 /nfs/dbraw/zinc/24/64/05/573246405.db2.gz ULSFAROKRSBWJP-JQWIXIFHSA-N 1 1 198.354 2.090 10 0 AEAEMO Cc1ccnc([C@@H](C)[NH2+]CCF)c1 308322495 573249160 /nfs/dbraw/zinc/24/91/60/573249160.db2.gz CGPRZZYDOULSNF-SECBINFHSA-N 1 1 182.242 2.010 10 0 AEAEMO C[C@H]1CCC[C@@H]([NH2+]CC(C)(C)N)CC1 235554798 573248051 /nfs/dbraw/zinc/24/80/51/573248051.db2.gz FKLUXFZSUCKETE-WDEREUQCSA-N 1 1 198.354 2.282 10 0 AEAEMO CC(C)[C@@H](C)[C@@H](CN)[N@@H+](C)C1CCC1 308522367 573248177 /nfs/dbraw/zinc/24/81/77/573248177.db2.gz ULSFAROKRSBWJP-ZYHUDNBSSA-N 1 1 198.354 2.090 10 0 AEAEMO Cc1ccnc([C@H](C)[NH2+]CCF)c1 308322496 573248938 /nfs/dbraw/zinc/24/89/38/573248938.db2.gz CGPRZZYDOULSNF-VIFPVBQESA-N 1 1 182.242 2.010 10 0 AEAEMO CCCCCC[C@H](O)C[N@@H+](C)CC 230472752 573248973 /nfs/dbraw/zinc/24/89/73/573248973.db2.gz OIMOYLFSWDGVNW-NSHDSACASA-N 1 1 187.327 2.269 10 0 AEAEMO CC(C)[C@@H](C)[C@H](CN)[N@@H+](C)C1CCC1 308522366 573248976 /nfs/dbraw/zinc/24/89/76/573248976.db2.gz ULSFAROKRSBWJP-PWSUYJOCSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H](Nc1ccc(N)c[nH+]1)C1CCC1 123903194 573249999 /nfs/dbraw/zinc/24/99/99/573249999.db2.gz IAJQKOPNOJDKHU-QMMMGPOBSA-N 1 1 191.278 2.264 10 0 AEAEMO C/C=C(/C)C[NH2+]Cc1cc(C)on1 308322648 573249877 /nfs/dbraw/zinc/24/98/77/573249877.db2.gz ZPZLDTNDWMFDJZ-YWEYNIOJSA-N 1 1 180.251 2.039 10 0 AEAEMO C[C@@H](Nc1ccc(N)c[nH+]1)C1CCC1 123903387 573249930 /nfs/dbraw/zinc/24/99/30/573249930.db2.gz IAJQKOPNOJDKHU-MRVPVSSYSA-N 1 1 191.278 2.264 10 0 AEAEMO C/C=C(\C)C[NH2+]Cc1cc(C)on1 308322647 573251063 /nfs/dbraw/zinc/25/10/63/573251063.db2.gz ZPZLDTNDWMFDJZ-XBXARRHUSA-N 1 1 180.251 2.039 10 0 AEAEMO CC[C@H]1CC[N@@H+](CCCOC)[C@H]1C 308327799 573252788 /nfs/dbraw/zinc/25/27/88/573252788.db2.gz GRGDPZXKCYMSCO-QWRGUYRKSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@H]1CC[N@@H+](CCCOC)[C@@H]1C 308327798 573252830 /nfs/dbraw/zinc/25/28/30/573252830.db2.gz GRGDPZXKCYMSCO-MNOVXSKESA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@@H](CO)C[N@@H+](C)CCC1CCC1 259054425 573252943 /nfs/dbraw/zinc/25/29/43/573252943.db2.gz SGRHSGTUDNVGHY-LLVKDONJSA-N 1 1 199.338 2.127 10 0 AEAEMO CC[C@H](CO)C[N@@H+](C)CCC1CCC1 259054426 573252965 /nfs/dbraw/zinc/25/29/65/573252965.db2.gz SGRHSGTUDNVGHY-NSHDSACASA-N 1 1 199.338 2.127 10 0 AEAEMO CC[C@@H]1CC[N@@H+](CCCOC)[C@@H]1C 308327797 573253048 /nfs/dbraw/zinc/25/30/48/573253048.db2.gz GRGDPZXKCYMSCO-GHMZBOCLSA-N 1 1 185.311 2.143 10 0 AEAEMO C[C@H](N)[C@H](C)[N@@H+](C)[C@@H](C)C(C)(C)C 42747605 573253329 /nfs/dbraw/zinc/25/33/29/573253329.db2.gz NIITUMNHBFGDKL-GUBZILKMSA-N 1 1 186.343 2.089 10 0 AEAEMO C[C@H]([NH3+])[C@H](C)N(C)[C@@H](C)C(C)(C)C 42747605 573253337 /nfs/dbraw/zinc/25/33/37/573253337.db2.gz NIITUMNHBFGDKL-GUBZILKMSA-N 1 1 186.343 2.089 10 0 AEAEMO CN[C@H]1C[N@@H+](C2CCCC2)C(C)(C)C1 259392264 573253404 /nfs/dbraw/zinc/25/34/04/573253404.db2.gz LVNRXACATRFRHF-SNVBAGLBSA-N 1 1 196.338 2.001 10 0 AEAEMO C[NH2+][C@H]1CN(C2CCCC2)C(C)(C)C1 259392264 573253409 /nfs/dbraw/zinc/25/34/09/573253409.db2.gz LVNRXACATRFRHF-SNVBAGLBSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@H]1CC[N@@H+](CCCOC)[C@H]1C 308327800 573253442 /nfs/dbraw/zinc/25/34/42/573253442.db2.gz GRGDPZXKCYMSCO-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO C[N@H+]1C[C@@H]2C[C@H]1c1ccccc12 223622960 573254312 /nfs/dbraw/zinc/25/43/12/573254312.db2.gz YXUJIRJOKPLNPC-KWQFWETISA-N 1 1 159.232 2.160 10 0 AEAEMO CC(C)(C)[C@@]1(O)CC[N@H+]2CCCC[C@@H]21 123913197 573254581 /nfs/dbraw/zinc/25/45/81/573254581.db2.gz ZJIYZTLOFRXEPJ-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]([C@@H](C)N)[N@@H+](C)[C@@H](C)C(C)(C)C 42747608 573254582 /nfs/dbraw/zinc/25/45/82/573254582.db2.gz NIITUMNHBFGDKL-UTLUCORTSA-N 1 1 186.343 2.089 10 0 AEAEMO C[C@@H]([C@@H](C)[NH3+])N(C)[C@@H](C)C(C)(C)C 42747608 573254589 /nfs/dbraw/zinc/25/45/89/573254589.db2.gz NIITUMNHBFGDKL-UTLUCORTSA-N 1 1 186.343 2.089 10 0 AEAEMO CC[C@@H](N)C[N@@H+](C)[C@@H](C)C(C)(C)C 42781624 573255007 /nfs/dbraw/zinc/25/50/07/573255007.db2.gz MWFNPOGGLUHMDT-VHSXEESVSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@H]([NH3+])CN(C)[C@@H](C)C(C)(C)C 42781624 573255013 /nfs/dbraw/zinc/25/50/13/573255013.db2.gz MWFNPOGGLUHMDT-VHSXEESVSA-N 1 1 186.343 2.090 10 0 AEAEMO C[C@H]([N@@H+](C)CC(C)(C)O)C(C)(C)C 42778280 573255144 /nfs/dbraw/zinc/25/51/44/573255144.db2.gz HFMXMLPGCUCIRM-VIFPVBQESA-N 1 1 187.327 2.124 10 0 AEAEMO C[C@H]([N@H+](C)[C@H](C)[C@@H](C)N)C(C)(C)C 42747601 573255273 /nfs/dbraw/zinc/25/52/73/573255273.db2.gz NIITUMNHBFGDKL-BBBLOLIVSA-N 1 1 186.343 2.089 10 0 AEAEMO C[C@H](N(C)[C@H](C)[C@@H](C)[NH3+])C(C)(C)C 42747601 573255279 /nfs/dbraw/zinc/25/52/79/573255279.db2.gz NIITUMNHBFGDKL-BBBLOLIVSA-N 1 1 186.343 2.089 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@](C)(CN)C1CCC1 393578647 573255869 /nfs/dbraw/zinc/25/58/69/573255869.db2.gz CLUGKXGJJRMVEF-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C[NH3+])[C@H](N)c1sccc1C 259394055 573256515 /nfs/dbraw/zinc/25/65/15/573256515.db2.gz LNUIOASRPDLLJE-BDAKNGLRSA-N 1 1 198.335 2.041 10 0 AEAEMO CC[C@H](N)C[N@@H+](C)[C@@H](C)C(C)(C)C 42781623 573256674 /nfs/dbraw/zinc/25/66/74/573256674.db2.gz MWFNPOGGLUHMDT-UWVGGRQHSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H]([NH3+])CN(C)[C@@H](C)C(C)(C)C 42781623 573256678 /nfs/dbraw/zinc/25/66/78/573256678.db2.gz MWFNPOGGLUHMDT-UWVGGRQHSA-N 1 1 186.343 2.090 10 0 AEAEMO CCCCCN1C[C@@H]([NH2+]C)CC1(C)C 259397301 573259790 /nfs/dbraw/zinc/25/97/90/573259790.db2.gz MBKNDZTUQABTIS-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](C[NH3+])[C@H](N)c1sccc1C 259394060 573260152 /nfs/dbraw/zinc/26/01/52/573260152.db2.gz LNUIOASRPDLLJE-IUCAKERBSA-N 1 1 198.335 2.041 10 0 AEAEMO CC[C@H](C[NH3+])[C@@H](N)c1sccc1C 259394062 573260438 /nfs/dbraw/zinc/26/04/38/573260438.db2.gz LNUIOASRPDLLJE-RKDXNWHRSA-N 1 1 198.335 2.041 10 0 AEAEMO CC[C@@H](C[NH3+])[C@@H](N)c1sccc1C 259394057 573262088 /nfs/dbraw/zinc/26/20/88/573262088.db2.gz LNUIOASRPDLLJE-DTWKUNHWSA-N 1 1 198.335 2.041 10 0 AEAEMO CCN(C)c1ccc2[nH]c[nH+]c2c1 259058665 573262176 /nfs/dbraw/zinc/26/21/76/573262176.db2.gz KRHPHMMANMEIEJ-UHFFFAOYSA-N 1 1 175.235 2.019 10 0 AEAEMO CCCC(=O)C[N@H+]1CCC[C@H](CC)C1 50184154 573263257 /nfs/dbraw/zinc/26/32/57/573263257.db2.gz OWLKTLPGLGAWAJ-NSHDSACASA-N 1 1 197.322 2.478 10 0 AEAEMO CCCCC[N@@H+](C)CC(=O)CCC 50184135 573263480 /nfs/dbraw/zinc/26/34/80/573263480.db2.gz KCCFUCGCLWWVFC-UHFFFAOYSA-N 1 1 185.311 2.478 10 0 AEAEMO Cc1ccc(C(F)(F)[C@H](C)[NH3+])cc1 257983229 573263643 /nfs/dbraw/zinc/26/36/43/573263643.db2.gz ZZKAPWZFLSIQID-QMMMGPOBSA-N 1 1 185.217 2.434 10 0 AEAEMO CCCC(=O)C[N@@H+](C)[C@H](C)C(C)C 50184149 573263690 /nfs/dbraw/zinc/26/36/90/573263690.db2.gz YOFFQUAPGBYKJR-SNVBAGLBSA-N 1 1 185.311 2.332 10 0 AEAEMO CCCC[N@@H+](CC)CC(=O)CCC 50184070 573263999 /nfs/dbraw/zinc/26/39/99/573263999.db2.gz SZISEMJDRRLELB-UHFFFAOYSA-N 1 1 185.311 2.478 10 0 AEAEMO CCCC(=O)C[N@H+]1CCCC[C@H]1C 50184092 573264160 /nfs/dbraw/zinc/26/41/60/573264160.db2.gz DZBVKPFJKBUTGX-SNVBAGLBSA-N 1 1 183.295 2.230 10 0 AEAEMO CCCC(=O)C[N@H+](CCC)C1CC1 50184127 573264246 /nfs/dbraw/zinc/26/42/46/573264246.db2.gz AUJYDJDWAMIVRC-UHFFFAOYSA-N 1 1 183.295 2.230 10 0 AEAEMO CCCC(=O)C[N@H+]1CCCC[C@@H]1C 50184091 573264267 /nfs/dbraw/zinc/26/42/67/573264267.db2.gz DZBVKPFJKBUTGX-JTQLQIEISA-N 1 1 183.295 2.230 10 0 AEAEMO CCCC(=O)C[N@@H+](CC)C(C)C 50184121 573264505 /nfs/dbraw/zinc/26/45/05/573264505.db2.gz CSZBLTAHJZDEMS-UHFFFAOYSA-N 1 1 171.284 2.086 10 0 AEAEMO CCCC(=O)C[N@H+]1C[C@@H](C)C[C@@H](C)C1 50184080 573264601 /nfs/dbraw/zinc/26/46/01/573264601.db2.gz ASJOCZYHZVRLIA-PHIMTYICSA-N 1 1 197.322 2.334 10 0 AEAEMO COC[N@H+](C)Cc1ccccc1C 259061064 573264642 /nfs/dbraw/zinc/26/46/42/573264642.db2.gz KVNPZCWITBAQMU-UHFFFAOYSA-N 1 1 179.263 2.031 10 0 AEAEMO COC[N@@H+](C)Cc1ccccc1C 259061064 573264648 /nfs/dbraw/zinc/26/46/48/573264648.db2.gz KVNPZCWITBAQMU-UHFFFAOYSA-N 1 1 179.263 2.031 10 0 AEAEMO CCCC(=O)C[N@H+](C)[C@@H](C)CCC 50184152 573264745 /nfs/dbraw/zinc/26/47/45/573264745.db2.gz QMMBVTGFGYQMEQ-JTQLQIEISA-N 1 1 185.311 2.476 10 0 AEAEMO CCCC(=O)C[N@@H+](CC)[C@H](C)CC 50184134 573264820 /nfs/dbraw/zinc/26/48/20/573264820.db2.gz YCNNUMUKGWSDAK-SNVBAGLBSA-N 1 1 185.311 2.476 10 0 AEAEMO CCCC(=O)C[N@@H+](C)C(CC)CC 50184150 573264932 /nfs/dbraw/zinc/26/49/32/573264932.db2.gz IYFUVWUDLUIRPS-UHFFFAOYSA-N 1 1 185.311 2.476 10 0 AEAEMO CCCC(=O)C[N@H+](C)[C@H](C)CCC 50184151 573265639 /nfs/dbraw/zinc/26/56/39/573265639.db2.gz QMMBVTGFGYQMEQ-SNVBAGLBSA-N 1 1 185.311 2.476 10 0 AEAEMO CCCC(=O)C[N@H+]1CCC[C@@H]1CC 50184174 573266034 /nfs/dbraw/zinc/26/60/34/573266034.db2.gz XLOCBBTUQQXQMB-JTQLQIEISA-N 1 1 183.295 2.230 10 0 AEAEMO CCCC(=O)C[N@H+](CCC)C(C)C 50184126 573266075 /nfs/dbraw/zinc/26/60/75/573266075.db2.gz COZLKJWLNJIBLB-UHFFFAOYSA-N 1 1 185.311 2.476 10 0 AEAEMO CCCC(=O)C[N@H+](CC)CCC 50184125 573266198 /nfs/dbraw/zinc/26/61/98/573266198.db2.gz CTHLNCKSPYEBNI-UHFFFAOYSA-N 1 1 171.284 2.088 10 0 AEAEMO CCCC(=O)C[N@H+]1CCC[C@H](C)C1 50184098 573266482 /nfs/dbraw/zinc/26/64/82/573266482.db2.gz CRZKTMWSXSHYEG-JTQLQIEISA-N 1 1 183.295 2.088 10 0 AEAEMO CCCC(=O)C[N@@H+](CC)CC(C)C 50184132 573266602 /nfs/dbraw/zinc/26/66/02/573266602.db2.gz CYQVHUUACLPJEE-UHFFFAOYSA-N 1 1 185.311 2.334 10 0 AEAEMO CCCC(=O)C[N@@H+](C)[C@@H](C)CC 50184130 573266679 /nfs/dbraw/zinc/26/66/79/573266679.db2.gz WIIRCWRQOBUHSJ-VIFPVBQESA-N 1 1 171.284 2.086 10 0 AEAEMO CCCC(=O)C[N@@H+](C)[C@H](C)C1CC1 50184147 573266742 /nfs/dbraw/zinc/26/67/42/573266742.db2.gz NOCFZYQQPLNWLG-SECBINFHSA-N 1 1 183.295 2.086 10 0 AEAEMO C/C=C\c1nnc([C@@H]([NH3+])C(C)(C)C)o1 308341544 573266761 /nfs/dbraw/zinc/26/67/61/573266761.db2.gz CBWHAIWASMEJSD-RPSMYOMKSA-N 1 1 195.266 2.149 10 0 AEAEMO CCCC(=O)C[N@@H+](C)C[C@@H](C)CC 50184136 573266840 /nfs/dbraw/zinc/26/68/40/573266840.db2.gz PUPJBPLYCCEYFX-JTQLQIEISA-N 1 1 185.311 2.334 10 0 AEAEMO CCCC(=O)C[N@@H+](C)C1CCCC1 50184124 573266917 /nfs/dbraw/zinc/26/69/17/573266917.db2.gz YUMHOZCYCUVXIA-UHFFFAOYSA-N 1 1 183.295 2.230 10 0 AEAEMO Cc1ncc(COc2ccccc2)[nH]1 258268258 573267207 /nfs/dbraw/zinc/26/72/07/573267207.db2.gz SIIXEBAYRTTXTH-UHFFFAOYSA-N 1 1 188.230 2.297 10 0 AEAEMO CCCC(=O)C[N@@H+](C)[C@H](C)CC 50184131 573267503 /nfs/dbraw/zinc/26/75/03/573267503.db2.gz WIIRCWRQOBUHSJ-SECBINFHSA-N 1 1 171.284 2.086 10 0 AEAEMO CCCC(=O)C[N@@H+](C)CC(C)(C)C 50184256 573267578 /nfs/dbraw/zinc/26/75/78/573267578.db2.gz UGDBPHBCLWMMGT-UHFFFAOYSA-N 1 1 185.311 2.334 10 0 AEAEMO CCCC(=O)C[N@@H+](CC)[C@@H](C)CC 50184133 573267625 /nfs/dbraw/zinc/26/76/25/573267625.db2.gz YCNNUMUKGWSDAK-JTQLQIEISA-N 1 1 185.311 2.476 10 0 AEAEMO CC[N@@H+](CC[C@@H]([NH3+])C(C)C)CC1CC1 129276015 573267778 /nfs/dbraw/zinc/26/77/78/573267778.db2.gz PVIYXCYRHKQRGR-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC(=O)C[N@@H+](C)CCC(C)C 50184187 573267801 /nfs/dbraw/zinc/26/78/01/573267801.db2.gz QQQHFSLLYRRXMM-UHFFFAOYSA-N 1 1 185.311 2.334 10 0 AEAEMO CCCC(=O)C[N@H+]1CCC[C@H]1CC 50184175 573267868 /nfs/dbraw/zinc/26/78/68/573267868.db2.gz XLOCBBTUQQXQMB-SNVBAGLBSA-N 1 1 183.295 2.230 10 0 AEAEMO CCCC(=O)C[N@H+]1CCC[C@@H](CC)C1 50184155 573267924 /nfs/dbraw/zinc/26/79/24/573267924.db2.gz OWLKTLPGLGAWAJ-LLVKDONJSA-N 1 1 197.322 2.478 10 0 AEAEMO CCCC(=O)C[N@@H+](CC1CC1)C(C)C 50184230 573267998 /nfs/dbraw/zinc/26/79/98/573267998.db2.gz AFPDILPOJDKJIU-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CCCC(=O)C[N@H+]1CCC[C@@H](C)C1 50184099 573268187 /nfs/dbraw/zinc/26/81/87/573268187.db2.gz CRZKTMWSXSHYEG-SNVBAGLBSA-N 1 1 183.295 2.088 10 0 AEAEMO CC(C)N(C(C)C)[C@]1(C)CCC[NH2+]C1 642885246 573268244 /nfs/dbraw/zinc/26/82/44/573268244.db2.gz ASOVEQRCZRPHJN-GFCCVEGCSA-N 1 1 198.354 2.247 10 0 AEAEMO CCCC(=O)C[N@@H+](CC(C)C)C1CC1 50184224 573268492 /nfs/dbraw/zinc/26/84/92/573268492.db2.gz LKHRUYITNLSBPW-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CCCC(=O)C[N@@H+](CCC)CC1CC1 50184199 573268637 /nfs/dbraw/zinc/26/86/37/573268637.db2.gz PPGHAWAQAFYTGZ-UHFFFAOYSA-N 1 1 197.322 2.478 10 0 AEAEMO CC[N@@H+](C)CCc1cc(F)ccc1F 259063786 573268670 /nfs/dbraw/zinc/26/86/70/573268670.db2.gz LDBXXTNXPNCUES-UHFFFAOYSA-N 1 1 199.244 2.459 10 0 AEAEMO CCCC(=O)C[N@@H+](C)C[C@H](C)CC 50184137 573268694 /nfs/dbraw/zinc/26/86/94/573268694.db2.gz PUPJBPLYCCEYFX-SNVBAGLBSA-N 1 1 185.311 2.334 10 0 AEAEMO CC[C@@H](C[NH+]1CCCCCCC1)NC 50179147 573269299 /nfs/dbraw/zinc/26/92/99/573269299.db2.gz LASMGDZPXTXKOD-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CC(C)C[C@H]([NH3+])[C@H](C)N1CCCCC1 74236648 573269349 /nfs/dbraw/zinc/26/93/49/573269349.db2.gz AEHLWLGVZSBUID-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(=O)C[N@@H+]1CCC[C@H](CC)C1 50179830 573269353 /nfs/dbraw/zinc/26/93/53/573269353.db2.gz KWQDMPAZVDCNIH-JTQLQIEISA-N 1 1 183.295 2.088 10 0 AEAEMO CC(C)C[C@H](N)[C@H](C)[NH+]1CCCCC1 74236648 573269354 /nfs/dbraw/zinc/26/93/54/573269354.db2.gz AEHLWLGVZSBUID-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(=O)C[N@@H+](C)[C@H](C)CC(C)C 50180044 573269439 /nfs/dbraw/zinc/26/94/39/573269439.db2.gz NPITWAUYBLRNFG-SNVBAGLBSA-N 1 1 185.311 2.332 10 0 AEAEMO CCC(=O)C[N@@H+](C)[C@@H](C)CC(C)C 50180043 573269457 /nfs/dbraw/zinc/26/94/57/573269457.db2.gz NPITWAUYBLRNFG-JTQLQIEISA-N 1 1 185.311 2.332 10 0 AEAEMO CC[C@@H](C[N@H+](CC1CC1)C(C)C)NC 50179776 573269636 /nfs/dbraw/zinc/26/96/36/573269636.db2.gz AMNHKARVEDTCBZ-LBPRGKRZSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C[N@@H+](CC1CC1)C(C)C)NC 50179776 573269641 /nfs/dbraw/zinc/26/96/41/573269641.db2.gz AMNHKARVEDTCBZ-LBPRGKRZSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(=O)C[N@@H+]1CCCC[C@@H]1CC 50179736 573269689 /nfs/dbraw/zinc/26/96/89/573269689.db2.gz FXONXHAYRKQTCD-JTQLQIEISA-N 1 1 183.295 2.230 10 0 AEAEMO CCC(=O)C[N@@H+](CC(C)C)C1CC1 50180040 573269932 /nfs/dbraw/zinc/26/99/32/573269932.db2.gz KZMPMZNFLWPEBQ-UHFFFAOYSA-N 1 1 183.295 2.086 10 0 AEAEMO CCCC[N@@H+](CC)CC(=O)CC 50179617 573270654 /nfs/dbraw/zinc/27/06/54/573270654.db2.gz FRUMDSBARYJZGF-UHFFFAOYSA-N 1 1 171.284 2.088 10 0 AEAEMO CCC(=O)C[N@@H+](CC1CC1)C(C)C 50180054 573270508 /nfs/dbraw/zinc/27/05/08/573270508.db2.gz QVVHZBCLDZMEPT-UHFFFAOYSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC(=O)C[N@H+](CC)C1CCCC1 50179792 573272518 /nfs/dbraw/zinc/27/25/18/573272518.db2.gz NFAIJOMJWXWRJZ-UHFFFAOYSA-N 1 1 183.295 2.230 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1C[C@@H](CC)NC 50179190 573272762 /nfs/dbraw/zinc/27/27/62/573272762.db2.gz BXTQWBLSBSDPCR-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H]1CCCC[N@@H+]1C[C@@H](CC)NC 50179190 573272769 /nfs/dbraw/zinc/27/27/69/573272769.db2.gz BXTQWBLSBSDPCR-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO O[C@@H]1CCC[N@H+](C2CCCCCC2)C1 74238797 573274920 /nfs/dbraw/zinc/27/49/20/573274920.db2.gz FXQSVSNTNZYQOA-GFCCVEGCSA-N 1 1 197.322 2.166 10 0 AEAEMO CC[C@@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)NC 50166467 573275027 /nfs/dbraw/zinc/27/50/27/573275027.db2.gz QGSQNDQWOXETKR-SRVKXCTJSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[N@H+](CC(=O)CC)CC1CC1 50179963 573275073 /nfs/dbraw/zinc/27/50/73/573275073.db2.gz VAHXPQVTJMMXHB-UHFFFAOYSA-N 1 1 183.295 2.088 10 0 AEAEMO CCC[C@@H](CNC)[N@H+]1CCC(C)(C)C1 213145106 573275231 /nfs/dbraw/zinc/27/52/31/573275231.db2.gz SMOINAKBPZWJQG-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO [NH3+]Cc1nc([C@@H]2CCCCS2)co1 257990244 573278777 /nfs/dbraw/zinc/27/87/77/573278777.db2.gz FGIDXAIZMMPTGR-QMMMGPOBSA-N 1 1 198.291 2.092 10 0 AEAEMO O[C@H]1CCC[N@H+](C2CCCCCC2)C1 74238795 573278836 /nfs/dbraw/zinc/27/88/36/573278836.db2.gz FXQSVSNTNZYQOA-LBPRGKRZSA-N 1 1 197.322 2.166 10 0 AEAEMO Cc1cccc(-c2[nH]c(C)[nH+]c2N)c1 105866240 573279759 /nfs/dbraw/zinc/27/97/59/573279759.db2.gz SIHIOXPBBLYMKP-UHFFFAOYSA-N 1 1 187.246 2.276 10 0 AEAEMO CCC(CC)C[C@]1(O)C[C@@H](C)[N@@H+](C)C1 129414185 573280661 /nfs/dbraw/zinc/28/06/61/573280661.db2.gz RFAOCFWDFNSYSF-ZYHUDNBSSA-N 1 1 199.338 2.268 10 0 AEAEMO Cc1ccc(-c2[nH]c(C)[nH+]c2N)cc1 105866245 573281481 /nfs/dbraw/zinc/28/14/81/573281481.db2.gz NKGKDQSQKWETQT-UHFFFAOYSA-N 1 1 187.246 2.276 10 0 AEAEMO CCC(CC)C[C@]1(O)C[C@H](C)[N@@H+](C)C1 129413727 573282487 /nfs/dbraw/zinc/28/24/87/573282487.db2.gz RFAOCFWDFNSYSF-CMPLNLGQSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)(C)C[C@@H]([NH3+])CCN1CC=CC1 308538063 573282517 /nfs/dbraw/zinc/28/25/17/573282517.db2.gz GYCJTQFXIAWITQ-NSHDSACASA-N 1 1 196.338 2.012 10 0 AEAEMO CCC(CC)C[C@@]1(O)CCC[N@@H+](C)C1 129419826 573282532 /nfs/dbraw/zinc/28/25/32/573282532.db2.gz UXBDXQXSALYRTI-LBPRGKRZSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@H]1C[N@@H+](CCC)[C@@H](C)CCN1 224381014 573282845 /nfs/dbraw/zinc/28/28/45/573282845.db2.gz SCZKPRJQDXUBEI-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1CN(CCC)[C@@H](C)CC[NH2+]1 224381014 573282849 /nfs/dbraw/zinc/28/28/49/573282849.db2.gz SCZKPRJQDXUBEI-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO C[C@@H]1CC(=O)C[C@@H](c2cccs2)[NH2+]1 74243313 573282909 /nfs/dbraw/zinc/28/29/09/573282909.db2.gz ZKWOIWRTPPQHPJ-APPZFPTMSA-N 1 1 195.287 2.130 10 0 AEAEMO C[C@@H]1CC(=O)C[C@H](c2cccs2)[NH2+]1 74243309 573283037 /nfs/dbraw/zinc/28/30/37/573283037.db2.gz ZKWOIWRTPPQHPJ-VXNVDRBHSA-N 1 1 195.287 2.130 10 0 AEAEMO Cc1[nH]c(-c2ccccc2C)c(N)[nH+]1 105866235 573283041 /nfs/dbraw/zinc/28/30/41/573283041.db2.gz VUNGRQNTJIKPOG-UHFFFAOYSA-N 1 1 187.246 2.276 10 0 AEAEMO CCC(CC)C[C@]1(O)CCC[N@@H+](C)C1 129419581 573283283 /nfs/dbraw/zinc/28/32/83/573283283.db2.gz UXBDXQXSALYRTI-GFCCVEGCSA-N 1 1 199.338 2.269 10 0 AEAEMO Cc1csc([C@@H]2CC(=O)CC[NH2+]2)c1 74243243 573284313 /nfs/dbraw/zinc/28/43/13/573284313.db2.gz JRGFLUUPVPFMPX-VIFPVBQESA-N 1 1 195.287 2.050 10 0 AEAEMO C[C@H]1CC(=O)C[C@@H](c2cccs2)[NH2+]1 74243315 573285014 /nfs/dbraw/zinc/28/50/14/573285014.db2.gz ZKWOIWRTPPQHPJ-CBAPKCEASA-N 1 1 195.287 2.130 10 0 AEAEMO CCCC(CCC)[N@H+]1CC[C@@H](N)[C@@H]1C 308538353 573286023 /nfs/dbraw/zinc/28/60/23/573286023.db2.gz MYCFDRJYYBYGPO-CMPLNLGQSA-N 1 1 198.354 2.377 10 0 AEAEMO CC[C@@H]1CN[C@H](C(C)C)C[N@H+]1C(C)C 82926649 573286573 /nfs/dbraw/zinc/28/65/73/573286573.db2.gz PXPPOXLZJHERPW-NEPJUHHUSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[N@@H+](C)CCc1cccc(C)c1 259068816 573286575 /nfs/dbraw/zinc/28/65/75/573286575.db2.gz LMODKAWHXGTDTP-UHFFFAOYSA-N 1 1 177.291 2.489 10 0 AEAEMO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1C(C)C 82926649 573286579 /nfs/dbraw/zinc/28/65/79/573286579.db2.gz PXPPOXLZJHERPW-NEPJUHHUSA-N 1 1 198.354 2.103 10 0 AEAEMO CCC[C@@](C)(N)C[NH2+][C@H]1CCC1(C)C 308541451 573286705 /nfs/dbraw/zinc/28/67/05/573286705.db2.gz OCHGZFDKAGNYCX-CMPLNLGQSA-N 1 1 198.354 2.282 10 0 AEAEMO CC[C@H]([NH3+])c1nc2cc(F)ccc2o1 74246961 573286823 /nfs/dbraw/zinc/28/68/23/573286823.db2.gz IJTZUXVZJLNROD-ZETCQYMHSA-N 1 1 194.209 2.377 10 0 AEAEMO CC[C@H]([NH3+])c1nc2ccc(F)cc2o1 74246968 573287085 /nfs/dbraw/zinc/28/70/85/573287085.db2.gz BJEHFKUQOPVDAL-ZETCQYMHSA-N 1 1 194.209 2.377 10 0 AEAEMO CCCC[C@@H](C)[NH2+]CCNC(C)C 50889967 573287113 /nfs/dbraw/zinc/28/71/13/573287113.db2.gz FPZNZBSRNJTLMV-LLVKDONJSA-N 1 1 186.343 2.153 10 0 AEAEMO CCCC[N@H+]1CCNC2(CCCC2)C1 82926063 573287315 /nfs/dbraw/zinc/28/73/15/573287315.db2.gz HIHWYBYSGHOAPZ-UHFFFAOYSA-N 1 1 196.338 2.005 10 0 AEAEMO CCCCN1CC[NH2+]C2(CCCC2)C1 82926063 573287319 /nfs/dbraw/zinc/28/73/19/573287319.db2.gz HIHWYBYSGHOAPZ-UHFFFAOYSA-N 1 1 196.338 2.005 10 0 AEAEMO CCC[C@](C)(N)C[NH2+][C@H]1CCC1(C)C 308541452 573291362 /nfs/dbraw/zinc/29/13/62/573291362.db2.gz OCHGZFDKAGNYCX-JQWIXIFHSA-N 1 1 198.354 2.282 10 0 AEAEMO CCCC[C@@H](C)[NH2+]C[C@](C)(N)C1CC1 50889969 573287547 /nfs/dbraw/zinc/28/75/47/573287547.db2.gz SYPPXSPCSKNYBA-PWSUYJOCSA-N 1 1 198.354 2.282 10 0 AEAEMO CCCC[N@H+]1CCNCC12CCCC2 82927400 573287573 /nfs/dbraw/zinc/28/75/73/573287573.db2.gz IXKHVYYYMQJXIW-UHFFFAOYSA-N 1 1 196.338 2.005 10 0 AEAEMO CCCC[C@H](C)[NH2+]C[C@](C)(N)C1CC1 50889970 573287644 /nfs/dbraw/zinc/28/76/44/573287644.db2.gz SYPPXSPCSKNYBA-JQWIXIFHSA-N 1 1 198.354 2.282 10 0 AEAEMO CCC[NH2+][C@@H](C)c1c[nH]c(C2CC2)n1 308541692 573287676 /nfs/dbraw/zinc/28/76/76/573287676.db2.gz MUVHVSYVMCXRRN-QMMMGPOBSA-N 1 1 193.294 2.348 10 0 AEAEMO CC[C@@H]1CN[C@@H](C(C)C)C[N@H+]1C(C)C 82926652 573287861 /nfs/dbraw/zinc/28/78/61/573287861.db2.gz PXPPOXLZJHERPW-VXGBXAGGSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1C(C)C 82926652 573287868 /nfs/dbraw/zinc/28/78/68/573287868.db2.gz PXPPOXLZJHERPW-VXGBXAGGSA-N 1 1 198.354 2.103 10 0 AEAEMO CCC[C@H](O)C[N@@H+](CC1CC1)C(C)C 50193532 573288974 /nfs/dbraw/zinc/28/89/74/573288974.db2.gz XSIVYMVUKVKOJT-LBPRGKRZSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[N@H+]1CCNC2(CCCCC2)C1 82926118 573288976 /nfs/dbraw/zinc/28/89/76/573288976.db2.gz MZJVKRBSJMKOAK-UHFFFAOYSA-N 1 1 196.338 2.005 10 0 AEAEMO CCCN1CC[NH2+]C2(CCCCC2)C1 82926118 573288980 /nfs/dbraw/zinc/28/89/80/573288980.db2.gz MZJVKRBSJMKOAK-UHFFFAOYSA-N 1 1 196.338 2.005 10 0 AEAEMO CCCCC[N@@H+](C)C[C@@H](O)CCC 50193303 573288998 /nfs/dbraw/zinc/28/89/98/573288998.db2.gz KSGPBGGPDZVMBJ-NSHDSACASA-N 1 1 187.327 2.269 10 0 AEAEMO CC(=O)[C@@H]([NH3+])c1ccc(C)c(C)c1C 259404456 573289142 /nfs/dbraw/zinc/28/91/42/573289142.db2.gz SKMJNSVARGLGKV-GFCCVEGCSA-N 1 1 191.274 2.201 10 0 AEAEMO CCCC[C@H](C)[NH2+]CCNC(C)C 50889968 573289157 /nfs/dbraw/zinc/28/91/57/573289157.db2.gz FPZNZBSRNJTLMV-NSHDSACASA-N 1 1 186.343 2.153 10 0 AEAEMO CCCC[N@@H+](C[C@@H](O)CCC)C1CC1 50193431 573289229 /nfs/dbraw/zinc/28/92/29/573289229.db2.gz VJBGAEUJJKNGNZ-LBPRGKRZSA-N 1 1 199.338 2.412 10 0 AEAEMO CCCC[C@@H](C)[NH2+]C[C@@](C)(N)C1CC1 50889971 573289252 /nfs/dbraw/zinc/28/92/52/573289252.db2.gz SYPPXSPCSKNYBA-ZYHUDNBSSA-N 1 1 198.354 2.282 10 0 AEAEMO CC[C@H]1CN[C@@H](C(C)C)C[N@H+]1C(C)C 82926654 573289444 /nfs/dbraw/zinc/28/94/44/573289444.db2.gz PXPPOXLZJHERPW-NWDGAFQWSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1C(C)C 82926654 573289448 /nfs/dbraw/zinc/28/94/48/573289448.db2.gz PXPPOXLZJHERPW-NWDGAFQWSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H]1CN[C@H](C(C)C)C[N@H+]1C(C)C 82926650 573290506 /nfs/dbraw/zinc/29/05/06/573290506.db2.gz PXPPOXLZJHERPW-RYUDHWBXSA-N 1 1 198.354 2.103 10 0 AEAEMO CCCC[N@@H+](C[C@H](O)CCC)C1CC1 50193430 573290344 /nfs/dbraw/zinc/29/03/44/573290344.db2.gz VJBGAEUJJKNGNZ-GFCCVEGCSA-N 1 1 199.338 2.412 10 0 AEAEMO CCCCCC[N@@H+]1CCN[C@H](CC)C1 82925115 573290422 /nfs/dbraw/zinc/29/04/22/573290422.db2.gz JPWOGKGVUMKGFE-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCC[N@H+]1CCN[C@H](CC)C1 82925115 573290425 /nfs/dbraw/zinc/29/04/25/573290425.db2.gz JPWOGKGVUMKGFE-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CCC[C@@H]1C[N@H+](C)C2(CCCC2)CN1 82935859 573291411 /nfs/dbraw/zinc/29/14/11/573291411.db2.gz YRVBNSVZQZPPML-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CCC[C@@H]1C[N@@H+](C)C2(CCCC2)CN1 82935859 573291418 /nfs/dbraw/zinc/29/14/18/573291418.db2.gz YRVBNSVZQZPPML-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CCC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1C 82937036 573291365 /nfs/dbraw/zinc/29/13/65/573291365.db2.gz ACTQIIGLIYOIBL-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CN[C@@H]1CCC(C)(C)[N@@H+](C(C)(C)C)C1 259404908 573291125 /nfs/dbraw/zinc/29/11/25/573291125.db2.gz MLTPYPCHMWOOQT-SNVBAGLBSA-N 1 1 198.354 2.247 10 0 AEAEMO CN[C@@H]1CCC(C)(C)[N@H+](C(C)(C)C)C1 259404908 573291128 /nfs/dbraw/zinc/29/11/28/573291128.db2.gz MLTPYPCHMWOOQT-SNVBAGLBSA-N 1 1 198.354 2.247 10 0 AEAEMO CN[C@H]1CCC(C)(C)[N@@H+](C(C)(C)C)C1 259404906 573291183 /nfs/dbraw/zinc/29/11/83/573291183.db2.gz MLTPYPCHMWOOQT-JTQLQIEISA-N 1 1 198.354 2.247 10 0 AEAEMO CN[C@H]1CCC(C)(C)[N@H+](C(C)(C)C)C1 259404906 573291185 /nfs/dbraw/zinc/29/11/85/573291185.db2.gz MLTPYPCHMWOOQT-JTQLQIEISA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@@](C)(N)C[NH2+][C@@H]1CCC1(C)C 308541454 573291208 /nfs/dbraw/zinc/29/12/08/573291208.db2.gz OCHGZFDKAGNYCX-ZYHUDNBSSA-N 1 1 198.354 2.282 10 0 AEAEMO C[N@H+]1C(C)(C)C[C@H](O)C(C)(C)C1(C)C 238325280 573291319 /nfs/dbraw/zinc/29/13/19/573291319.db2.gz VNUYCGJKFMAXOV-VIFPVBQESA-N 1 1 199.338 2.266 10 0 AEAEMO CCC[C@H]1CN[C@@H](C(C)(C)C)C[N@H+]1C 82937036 573291356 /nfs/dbraw/zinc/29/13/56/573291356.db2.gz ACTQIIGLIYOIBL-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@]1(C)CN[C@H](CC(C)C)C[N@@H+]1C 82937323 573293786 /nfs/dbraw/zinc/29/37/86/573293786.db2.gz UUCCXELFGFGQKV-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@]1(C)CN[C@H](CC(C)C)C[N@H+]1C 82937323 573293789 /nfs/dbraw/zinc/29/37/89/573293789.db2.gz UUCCXELFGFGQKV-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@H+]1C[C@H](C(C)C)NCC1(C)C 82935969 573292148 /nfs/dbraw/zinc/29/21/48/573292148.db2.gz JDIDEFKGTNHICK-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCN1C[C@H](C(C)C)[NH2+]CC1(C)C 82935969 573292153 /nfs/dbraw/zinc/29/21/53/573292153.db2.gz JDIDEFKGTNHICK-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@]1(C)CN[C@@H](CC(C)C)C[N@@H+]1C 82937326 573292164 /nfs/dbraw/zinc/29/21/64/573292164.db2.gz UUCCXELFGFGQKV-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@]1(C)CN[C@@H](CC(C)C)C[N@H+]1C 82937326 573292168 /nfs/dbraw/zinc/29/21/68/573292168.db2.gz UUCCXELFGFGQKV-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)c1ccc([C@@H]([NH3+])CN)cc1 259071251 573292412 /nfs/dbraw/zinc/29/24/12/573292412.db2.gz NKSMIOJVUCZMJU-CABZTGNLSA-N 1 1 192.306 2.159 10 0 AEAEMO CCC[N@H+]1C[C@@H](C(C)(C)C)NC[C@@H]1C 82936970 573292575 /nfs/dbraw/zinc/29/25/75/573292575.db2.gz QAMGBCAFLOHIPC-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCN1C[C@@H](C(C)(C)C)[NH2+]C[C@@H]1C 82936970 573292585 /nfs/dbraw/zinc/29/25/85/573292585.db2.gz QAMGBCAFLOHIPC-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(=O)CCC[N@@H+]1CCC[C@@H](C)[C@@H]1C 224709016 573292588 /nfs/dbraw/zinc/29/25/88/573292588.db2.gz HIGXKJXSFWNUEC-PWSUYJOCSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC1(CC)CN[C@@H](C(C)C)C[N@H+]1C 82936021 573292627 /nfs/dbraw/zinc/29/26/27/573292627.db2.gz KBRNVYZYJXLEJU-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC1(CC)C[NH2+][C@@H](C(C)C)CN1C 82936021 573292633 /nfs/dbraw/zinc/29/26/33/573292633.db2.gz KBRNVYZYJXLEJU-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1C[N@@H+](C)C2(CCCCC2)CN1 82936901 573292650 /nfs/dbraw/zinc/29/26/50/573292650.db2.gz COIUBQIMZYADOZ-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@@H]1CN(C)C2(CCCCC2)C[NH2+]1 82936901 573292652 /nfs/dbraw/zinc/29/26/52/573292652.db2.gz COIUBQIMZYADOZ-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H](C)[C@H]1CNC(C)(C)C[N@H+]1CC 82936197 573292690 /nfs/dbraw/zinc/29/26/90/573292690.db2.gz ZGMDXXFLIUQDNI-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1CN[C@@H](C(C)(C)C)C[N@H+]1C 82937035 573292785 /nfs/dbraw/zinc/29/27/85/573292785.db2.gz ACTQIIGLIYOIBL-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1C 82937035 573292790 /nfs/dbraw/zinc/29/27/90/573292790.db2.gz ACTQIIGLIYOIBL-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H]1C[N@H+](C)C2(CCCC2)CN1 82935860 573292799 /nfs/dbraw/zinc/29/27/99/573292799.db2.gz YRVBNSVZQZPPML-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CCC[C@H]1C[N@@H+](C)C2(CCCC2)CN1 82935860 573292802 /nfs/dbraw/zinc/29/28/02/573292802.db2.gz YRVBNSVZQZPPML-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC(C)[N@H+]1C[C@H](C(C)(C)C)NC[C@H]1C 82936941 573292810 /nfs/dbraw/zinc/29/28/10/573292810.db2.gz OLCKSNRGIQKVKL-GHMZBOCLSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)N1C[C@H](C(C)(C)C)[NH2+]C[C@H]1C 82936941 573292812 /nfs/dbraw/zinc/29/28/12/573292812.db2.gz OLCKSNRGIQKVKL-GHMZBOCLSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@@]1(C)CN[C@@H](C)C[N@H+]1CC(C)C 82935358 573292822 /nfs/dbraw/zinc/29/28/22/573292822.db2.gz CQJVTGDHNXEVJF-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@H+]1CC(C)(C)NC[C@H]1C(C)(C)C 82936267 573292874 /nfs/dbraw/zinc/29/28/74/573292874.db2.gz GSBOSVAKQSGCAE-JTQLQIEISA-N 1 1 198.354 2.105 10 0 AEAEMO CCN1CC(C)(C)[NH2+]C[C@H]1C(C)(C)C 82936267 573292880 /nfs/dbraw/zinc/29/28/80/573292880.db2.gz GSBOSVAKQSGCAE-JTQLQIEISA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@H+]1CC(C)(C)NC[C@@H]1C(C)(C)C 82936266 573292897 /nfs/dbraw/zinc/29/28/97/573292897.db2.gz GSBOSVAKQSGCAE-SNVBAGLBSA-N 1 1 198.354 2.105 10 0 AEAEMO CCN1CC(C)(C)[NH2+]C[C@@H]1C(C)(C)C 82936266 573292903 /nfs/dbraw/zinc/29/29/03/573292903.db2.gz GSBOSVAKQSGCAE-SNVBAGLBSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[C@H](C)[NH2+]C[C@@H](N)CCC 50890049 573293846 /nfs/dbraw/zinc/29/38/46/573293846.db2.gz DEQWBBAXQXKDFT-QWRGUYRKSA-N 1 1 186.343 2.282 10 0 AEAEMO CCC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1C 82937033 573293877 /nfs/dbraw/zinc/29/38/77/573293877.db2.gz ACTQIIGLIYOIBL-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[C@@H](C)[NH2+]C[C@@H](N)CCC 50890048 573293238 /nfs/dbraw/zinc/29/32/38/573293238.db2.gz DEQWBBAXQXKDFT-MNOVXSKESA-N 1 1 186.343 2.282 10 0 AEAEMO CCC[N@H+]1C[C@@H](C(C)C)NCC1(C)C 82935970 573293258 /nfs/dbraw/zinc/29/32/58/573293258.db2.gz JDIDEFKGTNHICK-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CCCN1C[C@@H](C(C)C)[NH2+]CC1(C)C 82935970 573293262 /nfs/dbraw/zinc/29/32/62/573293262.db2.gz JDIDEFKGTNHICK-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1CN[C@H](C(C)(C)C)C[N@H+]1C 82937033 573293871 /nfs/dbraw/zinc/29/38/71/573293871.db2.gz ACTQIIGLIYOIBL-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@H+]1C[C@H](C(C)(C)C)NCC1(C)C 82937095 573293407 /nfs/dbraw/zinc/29/34/07/573293407.db2.gz JFCIJWWKPBVMDU-SNVBAGLBSA-N 1 1 198.354 2.105 10 0 AEAEMO CCN1C[C@H](C(C)(C)C)[NH2+]CC1(C)C 82937095 573293412 /nfs/dbraw/zinc/29/34/12/573293412.db2.gz JFCIJWWKPBVMDU-SNVBAGLBSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H]1C[N@@H+](C(C)C)C(C)(C)CN1 82935806 573293514 /nfs/dbraw/zinc/29/35/14/573293514.db2.gz KQZJSVHNNOCWIM-NSHDSACASA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@H]1CN(C(C)C)C(C)(C)C[NH2+]1 82935806 573293522 /nfs/dbraw/zinc/29/35/22/573293522.db2.gz KQZJSVHNNOCWIM-NSHDSACASA-N 1 1 198.354 2.247 10 0 AEAEMO CC[N@@H+]1C[C@H](CC(C)C)NCC1(C)C 82937294 573293550 /nfs/dbraw/zinc/29/35/50/573293550.db2.gz CZBAKONZSWWGIY-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@H+]1C[C@H](CC(C)C)NCC1(C)C 82937294 573293556 /nfs/dbraw/zinc/29/35/56/573293556.db2.gz CZBAKONZSWWGIY-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1C[N@@H+](CC)[C@H](C(C)(C)C)CN1 82936760 573293577 /nfs/dbraw/zinc/29/35/77/573293577.db2.gz PCZTYJZCIXFXTF-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CN(CC)[C@H](C(C)(C)C)C[NH2+]1 82936760 573293586 /nfs/dbraw/zinc/29/35/86/573293586.db2.gz PCZTYJZCIXFXTF-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[C@@H]1CNC(C)(C)C[N@H+]1CC 82936194 573293602 /nfs/dbraw/zinc/29/36/02/573293602.db2.gz ZGMDXXFLIUQDNI-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@]1(C)CN[C@H](CC(C)C)C[N@@H+]1C 82937324 573293725 /nfs/dbraw/zinc/29/37/25/573293725.db2.gz UUCCXELFGFGQKV-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@]1(C)CN[C@H](CC(C)C)C[N@H+]1C 82937324 573293730 /nfs/dbraw/zinc/29/37/30/573293730.db2.gz UUCCXELFGFGQKV-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[N@H+]1C[C@H](C[NH2+]C)CC1(C)C 259405167 573295265 /nfs/dbraw/zinc/29/52/65/573295265.db2.gz MOELFELDAZYYSL-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@]1(C)CN[C@@H](C)C[N@H+]1CC(C)C 82935357 573296271 /nfs/dbraw/zinc/29/62/71/573296271.db2.gz CQJVTGDHNXEVJF-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)C[N@H+]1CC(C)(C)NC[C@@H]1C 82936075 573295076 /nfs/dbraw/zinc/29/50/76/573295076.db2.gz QSBXVJSXTGMPBA-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@H+]1C[C@@H](C)NCC12CCCCC2 82935476 573295090 /nfs/dbraw/zinc/29/50/90/573295090.db2.gz AKFFESNAJRSZFQ-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC(C)CC[N@H+]1C[C@@H](C)NCC1(C)C 82935271 573295146 /nfs/dbraw/zinc/29/51/46/573295146.db2.gz RWTDXQIVZCJDAQ-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)CCN1C[C@@H](C)[NH2+]CC1(C)C 82935271 573295151 /nfs/dbraw/zinc/29/51/51/573295151.db2.gz RWTDXQIVZCJDAQ-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@@H+]1C[C@@H](CC(C)C)NCC1(C)C 82937295 573295416 /nfs/dbraw/zinc/29/54/16/573295416.db2.gz CZBAKONZSWWGIY-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@H](O)[C@H](C)[N@H+]1CCC12CCCCC2 687978344 573295231 /nfs/dbraw/zinc/29/52/31/573295231.db2.gz APGIDVCSFRWQPV-QWRGUYRKSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[N@H+]1C[C@@H](CC(C)C)NCC1(C)C 82937295 573295422 /nfs/dbraw/zinc/29/54/22/573295422.db2.gz CZBAKONZSWWGIY-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@H+]1C[C@@H](C)NCC12CCCC2 82935466 573295301 /nfs/dbraw/zinc/29/53/01/573295301.db2.gz FUFMMQMSWTZHKY-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CCCC[C@@H](C)[NH2+]CCNCC1CC1 50890064 573295310 /nfs/dbraw/zinc/29/53/10/573295310.db2.gz GVSXTEYVEVKCIM-LLVKDONJSA-N 1 1 198.354 2.154 10 0 AEAEMO CCCC[C@@H](C)NCC[NH2+]CC1CC1 50890064 573295313 /nfs/dbraw/zinc/29/53/13/573295313.db2.gz GVSXTEYVEVKCIM-LLVKDONJSA-N 1 1 198.354 2.154 10 0 AEAEMO CC(C)[N@H+]1C[C@@H](C(C)(C)C)NC[C@H]1C 82936939 573295344 /nfs/dbraw/zinc/29/53/44/573295344.db2.gz OLCKSNRGIQKVKL-MNOVXSKESA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)N1C[C@@H](C(C)(C)C)[NH2+]C[C@H]1C 82936939 573295350 /nfs/dbraw/zinc/29/53/50/573295350.db2.gz OLCKSNRGIQKVKL-MNOVXSKESA-N 1 1 198.354 2.103 10 0 AEAEMO CN1CC(C)(C)[NH2+]CC12CCCCC2 82936367 573296178 /nfs/dbraw/zinc/29/61/78/573296178.db2.gz LAADRFKYJDGNQP-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO CCCC[C@@H](C)[N@H+]1CCN[C@@H](C)CC1 50890858 573296218 /nfs/dbraw/zinc/29/62/18/573296218.db2.gz FJDSPBRAMQFTPC-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)CC[N@H+]1C[C@H](C)NCC1(C)C 82935272 573296223 /nfs/dbraw/zinc/29/62/23/573296223.db2.gz RWTDXQIVZCJDAQ-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[C@@H](C)N1CC[NH2+][C@@H](C)CC1 50890858 573296224 /nfs/dbraw/zinc/29/62/24/573296224.db2.gz FJDSPBRAMQFTPC-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)CCN1C[C@H](C)[NH2+]CC1(C)C 82935272 573296231 /nfs/dbraw/zinc/29/62/31/573296231.db2.gz RWTDXQIVZCJDAQ-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@@H+](CC(C)(C)O)[C@H](C)C(C)C 393582103 573296242 /nfs/dbraw/zinc/29/62/42/573296242.db2.gz JYHXFXJZWVEKMU-SNVBAGLBSA-N 1 1 187.327 2.124 10 0 AEAEMO CCC[N@H+]1CC(C)(C)NC[C@@]1(C)CC 82936330 573296307 /nfs/dbraw/zinc/29/63/07/573296307.db2.gz CDXWIHVIOWPGFY-GFCCVEGCSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[N@H+]1C[C@@H](C(C)(C)C)NCC1(C)C 82937096 573296776 /nfs/dbraw/zinc/29/67/76/573296776.db2.gz JFCIJWWKPBVMDU-JTQLQIEISA-N 1 1 198.354 2.105 10 0 AEAEMO CCN1C[C@@H](C(C)(C)C)[NH2+]CC1(C)C 82937096 573296782 /nfs/dbraw/zinc/29/67/82/573296782.db2.gz JFCIJWWKPBVMDU-JTQLQIEISA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@H+]1C[C@H](C(C)(C)C)NC[C@@H]1C 82936969 573296846 /nfs/dbraw/zinc/29/68/46/573296846.db2.gz QAMGBCAFLOHIPC-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCN1C[C@H](C(C)(C)C)[NH2+]C[C@@H]1C 82936969 573296852 /nfs/dbraw/zinc/29/68/52/573296852.db2.gz QAMGBCAFLOHIPC-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[C@H]1C[N@H+](C(C)C)[C@H](C)CN1 82937175 573297647 /nfs/dbraw/zinc/29/76/47/573297647.db2.gz RKLZSCCNCRMJMS-NEPJUHHUSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)C[C@H]1C[N@@H+](C(C)C)[C@H](C)CN1 82937175 573297654 /nfs/dbraw/zinc/29/76/54/573297654.db2.gz RKLZSCCNCRMJMS-NEPJUHHUSA-N 1 1 198.354 2.103 10 0 AEAEMO CCC[C@@H]1C[N@@H+](C(C)C)C(C)(C)CN1 82935805 573297172 /nfs/dbraw/zinc/29/71/72/573297172.db2.gz KQZJSVHNNOCWIM-LLVKDONJSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@@H]1CN(C(C)C)C(C)(C)C[NH2+]1 82935805 573297173 /nfs/dbraw/zinc/29/71/73/573297173.db2.gz KQZJSVHNNOCWIM-LLVKDONJSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](C)[C@@H]1CN[C@H](C)C[N@H+]1C(C)C 82935230 573297183 /nfs/dbraw/zinc/29/71/83/573297183.db2.gz OHXDREDXDBITJH-TUAOUCFPSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[N@H+]1C[C@@H](C(C)C)NC[C@]1(C)CC 82935989 573297245 /nfs/dbraw/zinc/29/72/45/573297245.db2.gz YANBODBUJQQQET-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCN1C[C@@H](C(C)C)[NH2+]C[C@]1(C)CC 82935989 573297251 /nfs/dbraw/zinc/29/72/51/573297251.db2.gz YANBODBUJQQQET-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1C[N@@H+](CC)[C@H](C(C)(C)C)CN1 82936759 573297425 /nfs/dbraw/zinc/29/74/25/573297425.db2.gz PCZTYJZCIXFXTF-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CN(CC)[C@H](C(C)(C)C)C[NH2+]1 82936759 573297436 /nfs/dbraw/zinc/29/74/36/573297436.db2.gz PCZTYJZCIXFXTF-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CCCCC[N@@H+](C)[C@]1(CN)CC[C@H]1C 308542179 573297444 /nfs/dbraw/zinc/29/74/44/573297444.db2.gz OIMOJUBOBFAGDX-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)[C@@H]1C[N@@H+](C(C)C)C(C)(C)CN1 82935965 573297456 /nfs/dbraw/zinc/29/74/56/573297456.db2.gz LAIHEIWRVUZABD-NSHDSACASA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)[C@@H]1CN(C(C)C)C(C)(C)C[NH2+]1 82935965 573297459 /nfs/dbraw/zinc/29/74/59/573297459.db2.gz LAIHEIWRVUZABD-NSHDSACASA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@@H]1C[N@@H+](C(C)C)[C@H](C(C)C)CN1 82936663 573297485 /nfs/dbraw/zinc/29/74/85/573297485.db2.gz RVZZGDUJZIJGMN-NEPJUHHUSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[N@H+]1C[C@H](C(C)C)NC[C@]1(C)CC 82935991 573297541 /nfs/dbraw/zinc/29/75/41/573297541.db2.gz YANBODBUJQQQET-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCN1C[C@H](C(C)C)[NH2+]C[C@]1(C)CC 82935991 573297544 /nfs/dbraw/zinc/29/75/44/573297544.db2.gz YANBODBUJQQQET-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@]1(C)CNC2(CCCC2)C[N@H+]1C 82938086 573299551 /nfs/dbraw/zinc/29/95/51/573299551.db2.gz KUZCDAMOJJWMJD-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@]1(C)C[NH2+]C2(CCCC2)CN1C 82938086 573299557 /nfs/dbraw/zinc/29/95/57/573299557.db2.gz KUZCDAMOJJWMJD-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO Cc1ccc(N)c(-n2cc[nH+]c2C)c1 74278948 573299650 /nfs/dbraw/zinc/29/96/50/573299650.db2.gz MXCCHYAVYLOINX-UHFFFAOYSA-N 1 1 187.246 2.071 10 0 AEAEMO CCC1(CC)C[N@@H+](C(C)C)[C@H](C)CN1 82938558 573299680 /nfs/dbraw/zinc/29/96/80/573299680.db2.gz VDJVCYYCVVNVFS-LLVKDONJSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC1(CC)CN(C(C)C)[C@H](C)C[NH2+]1 82938558 573299684 /nfs/dbraw/zinc/29/96/84/573299684.db2.gz VDJVCYYCVVNVFS-LLVKDONJSA-N 1 1 198.354 2.247 10 0 AEAEMO C[C@H](O)[C@@H](C)[N@H+]1CCC12CCCCC2 687978338 573299745 /nfs/dbraw/zinc/29/97/45/573299745.db2.gz APGIDVCSFRWQPV-MNOVXSKESA-N 1 1 197.322 2.164 10 0 AEAEMO Cc1cccc(-n2cc[nH+]c2C)c1N 74278950 573299814 /nfs/dbraw/zinc/29/98/14/573299814.db2.gz JFDSZFXRTOKAKB-UHFFFAOYSA-N 1 1 187.246 2.071 10 0 AEAEMO CC[C@]1(C)C[N@@H+](C)[C@H](CC(C)C)CN1 82937845 573299831 /nfs/dbraw/zinc/29/98/31/573299831.db2.gz UQTZYGQSATZRPE-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@]1(C)CN(C)[C@H](CC(C)C)C[NH2+]1 82937845 573299837 /nfs/dbraw/zinc/29/98/37/573299837.db2.gz UQTZYGQSATZRPE-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@@H](C[NH2+]C)CC1(C)C 259405173 573299912 /nfs/dbraw/zinc/29/99/12/573299912.db2.gz MOELFELDAZYYSL-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CNC(CC)(CC)C[N@H+]1CC 82938582 573299998 /nfs/dbraw/zinc/29/99/98/573299998.db2.gz OQCFIULGQNJEGG-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H]1C[NH2+]C(CC)(CC)CN1CC 82938582 573300004 /nfs/dbraw/zinc/30/00/04/573300004.db2.gz OQCFIULGQNJEGG-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO C[C@@H]([C@@H](C)O)[N@H+]1CCC12CCCCC2 687978346 573300069 /nfs/dbraw/zinc/30/00/69/573300069.db2.gz APGIDVCSFRWQPV-WDEREUQCSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@H](C[NH2+]C)CC1(C)C 259405170 573300180 /nfs/dbraw/zinc/30/01/80/573300180.db2.gz MOELFELDAZYYSL-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@@H]1C[N@H+](C)[C@@](C)(CC)CN1 82937624 573300814 /nfs/dbraw/zinc/30/08/14/573300814.db2.gz JYRULIGAGNMRLX-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@@H]1C[N@@H+](C)[C@@](C)(CC)CN1 82937624 573300818 /nfs/dbraw/zinc/30/08/18/573300818.db2.gz JYRULIGAGNMRLX-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@@H]1CN[C@@](C)(CC)C[N@H+]1C 82937834 573300882 /nfs/dbraw/zinc/30/08/82/573300882.db2.gz IWCZJNMGRRAOND-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@@H]1C[NH2+][C@@](C)(CC)CN1C 82937834 573300887 /nfs/dbraw/zinc/30/08/87/573300887.db2.gz IWCZJNMGRRAOND-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@H+]1CC2(CCCC2)NCC1(C)C 82938069 573300931 /nfs/dbraw/zinc/30/09/31/573300931.db2.gz LMQYOXXRWNRIGS-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO CCN1CC2(CCCC2)[NH2+]CC1(C)C 82938069 573300936 /nfs/dbraw/zinc/30/09/36/573300936.db2.gz LMQYOXXRWNRIGS-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H]1CN[C@](C)(CC)C[N@H+]1C(C)C 82937736 573300999 /nfs/dbraw/zinc/30/09/99/573300999.db2.gz CQIVMYCQJXDRDN-NWDGAFQWSA-N 1 1 198.354 2.247 10 0 AEAEMO Cc1cccc(-c2cnc(C[NH3+])o2)c1 74277827 573301145 /nfs/dbraw/zinc/30/11/45/573301145.db2.gz JFHJEQODPKCIJH-UHFFFAOYSA-N 1 1 188.230 2.109 10 0 AEAEMO CC[C@H](C)[C@H]1CN[C@@](C)(CC)C[N@H+]1C 82937836 573301418 /nfs/dbraw/zinc/30/14/18/573301418.db2.gz IWCZJNMGRRAOND-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@H]1C[NH2+][C@@](C)(CC)CN1C 82937836 573301423 /nfs/dbraw/zinc/30/14/23/573301423.db2.gz IWCZJNMGRRAOND-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CN[C@@](C)(CC)C[N@H+]1C(C)C 82937733 573301597 /nfs/dbraw/zinc/30/15/97/573301597.db2.gz CQIVMYCQJXDRDN-NEPJUHHUSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC1(CC)C[N@@H+](C(C)C)[C@@H](C)CN1 82938559 573301611 /nfs/dbraw/zinc/30/16/11/573301611.db2.gz VDJVCYYCVVNVFS-NSHDSACASA-N 1 1 198.354 2.247 10 0 AEAEMO CCC1(CC)CN(C(C)C)[C@@H](C)C[NH2+]1 82938559 573301618 /nfs/dbraw/zinc/30/16/18/573301618.db2.gz VDJVCYYCVVNVFS-NSHDSACASA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H]1CN[C@](C)(CC)C[N@H+]1C(C)C 82937735 573301798 /nfs/dbraw/zinc/30/17/98/573301798.db2.gz CQIVMYCQJXDRDN-VXGBXAGGSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@]1(C)C[N@@H+](C)[C@H](C(C)(C)C)CN1 82937870 573301845 /nfs/dbraw/zinc/30/18/45/573301845.db2.gz XKVLWODTKFBHPW-JQWIXIFHSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@]1(C)CN(C)[C@H](C(C)(C)C)C[NH2+]1 82937870 573301850 /nfs/dbraw/zinc/30/18/50/573301850.db2.gz XKVLWODTKFBHPW-JQWIXIFHSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@]1(C)C[N@@H+](CC(C)C)[C@H](C)CN1 82937686 573301861 /nfs/dbraw/zinc/30/18/61/573301861.db2.gz ADHIZNOKQGCPAK-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[N@H+]1CC2(CCCC2)NC[C@@H]1C 82937980 573301942 /nfs/dbraw/zinc/30/19/42/573301942.db2.gz AWZHNPDTPWZRSJ-NSHDSACASA-N 1 1 196.338 2.001 10 0 AEAEMO CC(C)N1CC2(CCCC2)[NH2+]C[C@@H]1C 82937980 573301949 /nfs/dbraw/zinc/30/19/49/573301949.db2.gz AWZHNPDTPWZRSJ-NSHDSACASA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@]1(C)C[N@@H+](C)[C@H](C(C)(C)C)CN1 82937869 573303742 /nfs/dbraw/zinc/30/37/42/573303742.db2.gz XKVLWODTKFBHPW-CMPLNLGQSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@]1(C)CN(C)[C@H](C(C)(C)C)C[NH2+]1 82937869 573303747 /nfs/dbraw/zinc/30/37/47/573303747.db2.gz XKVLWODTKFBHPW-CMPLNLGQSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(CC)[N@H+](C)CC1(NC)CCC1 308547656 573304015 /nfs/dbraw/zinc/30/40/15/573304015.db2.gz WGLLSBVENRBRGU-UHFFFAOYSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)[N@@H+](C)CC1(NC)CCC1 308547656 573304021 /nfs/dbraw/zinc/30/40/21/573304021.db2.gz WGLLSBVENRBRGU-UHFFFAOYSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@]1(C)C[N@@H+](CC(C)C)[C@H](C)CN1 82937685 573304307 /nfs/dbraw/zinc/30/43/07/573304307.db2.gz ADHIZNOKQGCPAK-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1CNC2(CCCC2)C[N@H+]1C 82938021 573304444 /nfs/dbraw/zinc/30/44/44/573304444.db2.gz XWXBPYDJIGMDSB-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CCC[C@@H]1C[NH2+]C2(CCCC2)CN1C 82938021 573304449 /nfs/dbraw/zinc/30/44/49/573304449.db2.gz XWXBPYDJIGMDSB-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CCC1(CC)C[N@@H+](C)[C@@H](C(C)C)CN1 82938621 573304519 /nfs/dbraw/zinc/30/45/19/573304519.db2.gz NXQHYHPFFTZQNK-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC1(CC)CN(C)[C@@H](C(C)C)C[NH2+]1 82938621 573304524 /nfs/dbraw/zinc/30/45/24/573304524.db2.gz NXQHYHPFFTZQNK-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@]1(C)C[N@@H+](C(C)C)C(C)(C)CN1 82937897 573304642 /nfs/dbraw/zinc/30/46/42/573304642.db2.gz HDTDSHYBRAZFCS-GFCCVEGCSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@]1(C)CN(C(C)C)C(C)(C)C[NH2+]1 82937897 573304646 /nfs/dbraw/zinc/30/46/46/573304646.db2.gz HDTDSHYBRAZFCS-GFCCVEGCSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](C)[C@H]1C[N@H+](C)[C@@](C)(CC)CN1 82937626 573304700 /nfs/dbraw/zinc/30/47/00/573304700.db2.gz JYRULIGAGNMRLX-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@H]1C[N@@H+](C)[C@@](C)(CC)CN1 82937626 573304706 /nfs/dbraw/zinc/30/47/06/573304706.db2.gz JYRULIGAGNMRLX-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@H+]1C[C@@](C)(CC)NCC1(C)C 82937901 573304773 /nfs/dbraw/zinc/30/47/73/573304773.db2.gz NRIVMVWJVJXPDB-GFCCVEGCSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCN1C[C@@](C)(CC)[NH2+]CC1(C)C 82937901 573304777 /nfs/dbraw/zinc/30/47/77/573304777.db2.gz NRIVMVWJVJXPDB-GFCCVEGCSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC1(CC)C[N@@H+](C)[C@@](C)(CC)CN1 82938686 573304826 /nfs/dbraw/zinc/30/48/26/573304826.db2.gz UBILCSGXLUILQZ-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC1(CC)CN(C)[C@@](C)(CC)C[NH2+]1 82938686 573304831 /nfs/dbraw/zinc/30/48/31/573304831.db2.gz UBILCSGXLUILQZ-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[N@H+]1C[C@@](C)(CC)NC[C@H]1C(C)C 82937807 573304866 /nfs/dbraw/zinc/30/48/66/573304866.db2.gz WUNMHCKEDNHSDJ-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCN1C[C@@](C)(CC)[NH2+]C[C@H]1C(C)C 82937807 573304873 /nfs/dbraw/zinc/30/48/73/573304873.db2.gz WUNMHCKEDNHSDJ-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO C[NH2+][C@H]1SCCc2ccccc21 238340584 573304939 /nfs/dbraw/zinc/30/49/39/573304939.db2.gz RWKOQMBRDPRLHX-JTQLQIEISA-N 1 1 179.288 2.194 10 0 AEAEMO CC(C)[N@H+]1CC2(CCCC2)NC[C@H]1C 82937979 573304967 /nfs/dbraw/zinc/30/49/67/573304967.db2.gz AWZHNPDTPWZRSJ-LLVKDONJSA-N 1 1 196.338 2.001 10 0 AEAEMO CC(C)N1CC2(CCCC2)[NH2+]C[C@H]1C 82937979 573304972 /nfs/dbraw/zinc/30/49/72/573304972.db2.gz AWZHNPDTPWZRSJ-LLVKDONJSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[N@H+]1CC(CC)(CC)NCC1(C)C 82938668 573305017 /nfs/dbraw/zinc/30/50/17/573305017.db2.gz FYBAANZOOJYUHD-UHFFFAOYSA-N 1 1 198.354 2.249 10 0 AEAEMO CCN1CC(CC)(CC)[NH2+]CC1(C)C 82938668 573305022 /nfs/dbraw/zinc/30/50/22/573305022.db2.gz FYBAANZOOJYUHD-UHFFFAOYSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@]1(C)C[N@@H+](C)C2(CCCC2)CN1 82937949 573305178 /nfs/dbraw/zinc/30/51/78/573305178.db2.gz SGTHGTBBMKDDHF-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@]1(C)CN(C)C2(CCCC2)C[NH2+]1 82937949 573305186 /nfs/dbraw/zinc/30/51/86/573305186.db2.gz SGTHGTBBMKDDHF-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO C[N@@H+]1CC2(CCCCC2)NCC1(C)C 82938165 573305215 /nfs/dbraw/zinc/30/52/15/573305215.db2.gz MJCXVXIKKKOETE-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO C[N@H+]1CC2(CCCCC2)NCC1(C)C 82938165 573305220 /nfs/dbraw/zinc/30/52/20/573305220.db2.gz MJCXVXIKKKOETE-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H]1CN[C@@](C)(CC)C[N@H+]1C(C)C 82937734 573305276 /nfs/dbraw/zinc/30/52/76/573305276.db2.gz CQIVMYCQJXDRDN-RYUDHWBXSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H](C)[C@H]1C[N@H+](CC)C(C)(C)CN1 82937581 573305361 /nfs/dbraw/zinc/30/53/61/573305361.db2.gz UQHQVBQJWIRCIC-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[C@H]1C[N@@H+](CC)C(C)(C)CN1 82937581 573305366 /nfs/dbraw/zinc/30/53/66/573305366.db2.gz UQHQVBQJWIRCIC-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)(C)C[N@@H+](CCN)CCC1CC1 690041219 573305605 /nfs/dbraw/zinc/30/56/05/573305605.db2.gz VMHYJDHXOOQPOT-UHFFFAOYSA-N 1 1 198.354 2.093 10 0 AEAEMO CC(C)(C)CN(CC[NH3+])CCC1CC1 690041219 573305611 /nfs/dbraw/zinc/30/56/11/573305611.db2.gz VMHYJDHXOOQPOT-UHFFFAOYSA-N 1 1 198.354 2.093 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC[C@@H](C(C)=O)C1 224872714 573305620 /nfs/dbraw/zinc/30/56/20/573305620.db2.gz NWMGRQDJWMFTKP-GXSJLCMTSA-N 1 1 183.295 2.086 10 0 AEAEMO CCCC[N@@H+](CCN)CC(C)(C)C 690041313 573308008 /nfs/dbraw/zinc/30/80/08/573308008.db2.gz YBNXSORPHKXHCJ-UHFFFAOYSA-N 1 1 186.343 2.093 10 0 AEAEMO C[C@@H]1CC[C@]1(CN)[N@@H+](C)CC(C)(C)C 308543335 573306437 /nfs/dbraw/zinc/30/64/37/573306437.db2.gz OSTGYJQZHOUNAO-ZYHUDNBSSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1CC[C@@]1(CN)[N@@H+](C)CC(C)(C)C 308543334 573306991 /nfs/dbraw/zinc/30/69/91/573306991.db2.gz OSTGYJQZHOUNAO-PWSUYJOCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@H+]1C[C@H](C(C)(C)C)[NH2+]CC[C@@H]1C 82943254 573307095 /nfs/dbraw/zinc/30/70/95/573307095.db2.gz HFIMOQAUYWGOMB-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@H]1CC[C@@]1(CN)[N@@H+](C)CC(C)(C)C 308543332 573307187 /nfs/dbraw/zinc/30/71/87/573307187.db2.gz OSTGYJQZHOUNAO-JQWIXIFHSA-N 1 1 198.354 2.092 10 0 AEAEMO CC1([N@H+]2CC[C@H](CO)C2)CCCCC1 82946463 573307495 /nfs/dbraw/zinc/30/74/95/573307495.db2.gz MGXZKDZKMYJCKX-NSHDSACASA-N 1 1 197.322 2.023 10 0 AEAEMO CC(C)[C@@H]1C[N@@H+](C(C)C)[C@@H](C)CCN1 82942266 573307527 /nfs/dbraw/zinc/30/75/27/573307527.db2.gz BKMWEIXUSWBKCI-RYUDHWBXSA-N 1 1 198.354 2.103 10 0 AEAEMO CCCCN(CC[NH3+])CC(C)(C)C 690041313 573308013 /nfs/dbraw/zinc/30/80/13/573308013.db2.gz YBNXSORPHKXHCJ-UHFFFAOYSA-N 1 1 186.343 2.093 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@]1(CN)CC[C@H]1C 308548626 573307830 /nfs/dbraw/zinc/30/78/30/573307830.db2.gz QQUSGLHIFHCIBW-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@]1(CN)CC[C@@H]1C 308548604 573307909 /nfs/dbraw/zinc/30/79/09/573307909.db2.gz QQUSGLHIFHCIBW-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](O)C[N@H+]1C[C@@H]2CCCCC[C@@H]21 687979102 573309739 /nfs/dbraw/zinc/30/97/39/573309739.db2.gz DFPLUAOXQKNCBY-TUAOUCFPSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1CC[C@]1(CN)[N@@H+](C)CC(C)(C)C 308543329 573308628 /nfs/dbraw/zinc/30/86/28/573308628.db2.gz OSTGYJQZHOUNAO-CMPLNLGQSA-N 1 1 198.354 2.092 10 0 AEAEMO CNc1[nH]cc(-c2ccccc2C)[nH+]1 259079255 573308697 /nfs/dbraw/zinc/30/86/97/573308697.db2.gz LNZLYCNRTOVWBN-UHFFFAOYSA-N 1 1 187.246 2.427 10 0 AEAEMO CC[C@@H](O)C[N@H+]1C[C@H]2CCCCC[C@@H]21 687979104 573308797 /nfs/dbraw/zinc/30/87/97/573308797.db2.gz DFPLUAOXQKNCBY-UTUOFQBUSA-N 1 1 197.322 2.022 10 0 AEAEMO Nc1[nH+]c[nH]c1C1CCCCC1 106774633 573309767 /nfs/dbraw/zinc/30/97/67/573309767.db2.gz FUZJLYGTHBWWLE-UHFFFAOYSA-N 1 1 165.240 2.040 10 0 AEAEMO CC[C@@H](O)C[N@H+]1C[C@@H]2CCCCC[C@H]21 687979097 573309210 /nfs/dbraw/zinc/30/92/10/573309210.db2.gz DFPLUAOXQKNCBY-QJPTWQEYSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H](O)C[N@H+]1C[C@H]2CCCCC[C@H]21 687979093 573309263 /nfs/dbraw/zinc/30/92/63/573309263.db2.gz DFPLUAOXQKNCBY-GRYCIOLGSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CCCNC(C)(C)C1 82941517 573309314 /nfs/dbraw/zinc/30/93/14/573309314.db2.gz NZMCBIPKEOEOPG-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[N@@H+](C)Cc1ccc(O)cn1 132425136 573309345 /nfs/dbraw/zinc/30/93/45/573309345.db2.gz PJLBBTSKEOSHNA-UHFFFAOYSA-N 1 1 194.278 2.019 10 0 AEAEMO CC[N@H+]1C[C@@H](CC(C)C)[NH2+]CC[C@@H]1C 82942760 573309353 /nfs/dbraw/zinc/30/93/53/573309353.db2.gz PHXGJOYXSSDKGE-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+]1C[C@@H](C)C[C@@H](C)C1 82946694 573309646 /nfs/dbraw/zinc/30/96/46/573309646.db2.gz MRUQMUAHAJCJRQ-AXFHLTTASA-N 1 1 197.322 2.332 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCCNC(C)(C)C1 82941519 573310432 /nfs/dbraw/zinc/31/04/32/573310432.db2.gz NZMCBIPKEOEOPG-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)[C@H]1C[N@@H+](CC)[C@H](C)CC[NH2+]1 82942355 573310695 /nfs/dbraw/zinc/31/06/95/573310695.db2.gz SVAVMMCJSOOBME-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@@H]1C[N@@H+](CC)[C@H](C)CC[NH2+]1 82942350 573310913 /nfs/dbraw/zinc/31/09/13/573310913.db2.gz SVAVMMCJSOOBME-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)Cc1ccc(O)cn1 132511795 573311169 /nfs/dbraw/zinc/31/11/69/573311169.db2.gz NADKKBARIPQXNE-SECBINFHSA-N 1 1 194.278 2.018 10 0 AEAEMO CC[C@@H](C)C[C@](CC)(CN)[NH+]1CCC1 308547275 573311286 /nfs/dbraw/zinc/31/12/86/573311286.db2.gz QDIPYGAJLYLXMH-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC(=O)[C@@H](C)[N@H+]1C[C@@H](C)C[C@@H](C)C1 82946691 573311312 /nfs/dbraw/zinc/31/13/12/573311312.db2.gz MRUQMUAHAJCJRQ-OUAUKWLOSA-N 1 1 197.322 2.332 10 0 AEAEMO C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1CC(C)(C)C 238345840 573311339 /nfs/dbraw/zinc/31/13/39/573311339.db2.gz HTVUDXAEHFCSPV-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@H+]1C[C@@H](C(C)(C)C)[NH2+]CC[C@@H]1C 82943257 573311691 /nfs/dbraw/zinc/31/16/91/573311691.db2.gz HFIMOQAUYWGOMB-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H]1C[N@@H+](CCC(C)(C)C)CCCN1 82941368 573311409 /nfs/dbraw/zinc/31/14/09/573311409.db2.gz IGMLEKKQWPLFBL-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO C[C@@H]1CN(CCC(C)(C)C)CCC[NH2+]1 82941368 573311423 /nfs/dbraw/zinc/31/14/23/573311423.db2.gz IGMLEKKQWPLFBL-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC(CC)(CC)C[N@H+]1CC[C@@H](N)C1 308858800 573312535 /nfs/dbraw/zinc/31/25/35/573312535.db2.gz QUUKPMXCFOUHPI-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC(CC)(CC)CN1CC[C@@H]([NH3+])C1 308858800 573312541 /nfs/dbraw/zinc/31/25/41/573312541.db2.gz QUUKPMXCFOUHPI-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H](C)C[C@@](CC)(CN)[NH+]1CCC1 308547274 573313987 /nfs/dbraw/zinc/31/39/87/573313987.db2.gz QDIPYGAJLYLXMH-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+]1CCC[C@H](C)[C@@H]1C 82947633 573315695 /nfs/dbraw/zinc/31/56/95/573315695.db2.gz USOANBNRZRLTMV-DCAQKATOSA-N 1 1 197.322 2.474 10 0 AEAEMO CCC1(CC)C[N@H+](C(C)C)CCCN1 82942195 573315175 /nfs/dbraw/zinc/31/51/75/573315175.db2.gz SZCGOBCTEOEUMW-UHFFFAOYSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+]1CCCC(C)(C)C1 82947826 573316150 /nfs/dbraw/zinc/31/61/50/573316150.db2.gz WYQPEDWFLXOPFW-JTQLQIEISA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(=O)[C@@H](C)[N@H+]1CCCC1(C)C 82947749 573316875 /nfs/dbraw/zinc/31/68/75/573316875.db2.gz LOUADRJQDVPJBT-SECBINFHSA-N 1 1 183.295 2.228 10 0 AEAEMO CCC(=O)[C@@H](C)[N@H+]1CCCC[C@@H]1C 82946727 573317044 /nfs/dbraw/zinc/31/70/44/573317044.db2.gz DTFVTDOTFJWZSO-VHSXEESVSA-N 1 1 183.295 2.228 10 0 AEAEMO CC[N@@H+](Cc1ccc(O)cn1)C(C)C 132565469 573317277 /nfs/dbraw/zinc/31/72/77/573317277.db2.gz VIRPADQTGCJBNF-UHFFFAOYSA-N 1 1 194.278 2.018 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+]1CCCC[C@@H]1C 82946729 573317375 /nfs/dbraw/zinc/31/73/75/573317375.db2.gz DTFVTDOTFJWZSO-UWVGGRQHSA-N 1 1 183.295 2.228 10 0 AEAEMO CCC(=O)[C@@H](C)[N@@H+](CC)C(C)C 82946791 573317403 /nfs/dbraw/zinc/31/74/03/573317403.db2.gz OYQLGZAKHNMIQF-SECBINFHSA-N 1 1 171.284 2.084 10 0 AEAEMO CCC(=O)[C@H](C)n1c[nH+]c(C)c1C 82948157 573317648 /nfs/dbraw/zinc/31/76/48/573317648.db2.gz GAEVBRQARVMKMB-VIFPVBQESA-N 1 1 180.251 2.040 10 0 AEAEMO CCC[N@@H+](CC)Cc1ccc(O)cn1 132551169 573318084 /nfs/dbraw/zinc/31/80/84/573318084.db2.gz PZJIVEFAQFXUPO-UHFFFAOYSA-N 1 1 194.278 2.019 10 0 AEAEMO CC[N@H+](CC(C)(C)C)C1CCNCC1 308552150 573318153 /nfs/dbraw/zinc/31/81/53/573318153.db2.gz SMXQZWLPGOHJGQ-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[N@@H+](CC(C)(C)C)C1CCNCC1 308552150 573318160 /nfs/dbraw/zinc/31/81/60/573318160.db2.gz SMXQZWLPGOHJGQ-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC(=O)[C@H](C)[N@@H+](CC(C)C)C1CC1 82947097 573318223 /nfs/dbraw/zinc/31/82/23/573318223.db2.gz KDQLLXQCBINVDT-JTQLQIEISA-N 1 1 197.322 2.474 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+]1CCCC1(C)C 82947751 573318241 /nfs/dbraw/zinc/31/82/41/573318241.db2.gz LOUADRJQDVPJBT-VIFPVBQESA-N 1 1 183.295 2.228 10 0 AEAEMO CCc1[nH]c2c(Cl)cc(N)cc2[nH+]1 106872694 573318483 /nfs/dbraw/zinc/31/84/83/573318483.db2.gz KFLXRSVKYOBGSD-UHFFFAOYSA-N 1 1 195.653 2.361 10 0 AEAEMO CCC(=O)[C@@H](C)n1c[nH+]c(C)c1C 82948155 573318631 /nfs/dbraw/zinc/31/86/31/573318631.db2.gz GAEVBRQARVMKMB-SECBINFHSA-N 1 1 180.251 2.040 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+]1CCC[C@H](C)C1 82949593 573318722 /nfs/dbraw/zinc/31/87/22/573318722.db2.gz CUSGQBJMOIITDQ-UWVGGRQHSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC(=O)[C@@H](C)[N@H+]1CCC[C@H](C)C1 82949592 573318884 /nfs/dbraw/zinc/31/88/84/573318884.db2.gz CUSGQBJMOIITDQ-VHSXEESVSA-N 1 1 183.295 2.086 10 0 AEAEMO CCCCC[N@@H+](C)CC(C)=C1C[NH2+]C1 129485388 573318980 /nfs/dbraw/zinc/31/89/80/573318980.db2.gz UYVMQPVPLYXRJL-UHFFFAOYSA-N 1 1 196.338 2.028 10 0 AEAEMO CCCCCC(C)(C)N1CC[NH2+]CC1 259416456 573319342 /nfs/dbraw/zinc/31/93/42/573319342.db2.gz OUPKUMYMIXNVBV-UHFFFAOYSA-N 1 1 198.354 2.251 10 0 AEAEMO CCC1(CN[C@H](C)C[NH2+]C(C)C)CC1 308550896 573319531 /nfs/dbraw/zinc/31/95/31/573319531.db2.gz RUMBTVCNGQINGE-LLVKDONJSA-N 1 1 198.354 2.153 10 0 AEAEMO CCC1(C[NH2+][C@H](C)CNC(C)C)CC1 308550896 573319538 /nfs/dbraw/zinc/31/95/38/573319538.db2.gz RUMBTVCNGQINGE-LLVKDONJSA-N 1 1 198.354 2.153 10 0 AEAEMO CCC(=O)[C@@H](C)[N@H+]1CCCC(C)(C)C1 82947824 573319894 /nfs/dbraw/zinc/31/98/94/573319894.db2.gz WYQPEDWFLXOPFW-SNVBAGLBSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC[N@@H+](CC1CC1)[C@@H](C)C(=O)CC 82947020 573320347 /nfs/dbraw/zinc/32/03/47/573320347.db2.gz HNGCTALDHUCNSK-JTQLQIEISA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C 82947193 573320375 /nfs/dbraw/zinc/32/03/75/573320375.db2.gz MLEJNUZXRWZOPN-SECBINFHSA-N 1 1 185.311 2.332 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+]1CC[C@H](C)C[C@@H]1C 82947645 573320384 /nfs/dbraw/zinc/32/03/84/573320384.db2.gz TYAAXAMJMHOCKO-DCAQKATOSA-N 1 1 197.322 2.474 10 0 AEAEMO CCC1(CN[C@@H](C)C[NH2+]C(C)C)CC1 308550898 573320453 /nfs/dbraw/zinc/32/04/53/573320453.db2.gz RUMBTVCNGQINGE-NSHDSACASA-N 1 1 198.354 2.153 10 0 AEAEMO CCC1(C[NH2+][C@@H](C)CNC(C)C)CC1 308550898 573320457 /nfs/dbraw/zinc/32/04/57/573320457.db2.gz RUMBTVCNGQINGE-NSHDSACASA-N 1 1 198.354 2.153 10 0 AEAEMO CC(C)CC(C)(C)[N@H+]1CCNC[C@@H]1C 106876266 573320551 /nfs/dbraw/zinc/32/05/51/573320551.db2.gz ZWPMTMQFQVRVSD-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CN1CC[C@H]([NH2+]C(C)(C)C)CC1(C)C 106876331 573320968 /nfs/dbraw/zinc/32/09/68/573320968.db2.gz KWOMVCBAPLKOFV-JTQLQIEISA-N 1 1 198.354 2.247 10 0 AEAEMO CC(C)(C)c1[nH+]cc2n1[C@@H](O)CCC2 258304935 573321526 /nfs/dbraw/zinc/32/15/26/573321526.db2.gz OVDNDPOTHSETAV-VIFPVBQESA-N 1 1 194.278 2.008 10 0 AEAEMO CNC[C@H]1CCC[N@@H+]1C1CCCCC1 106873872 573321651 /nfs/dbraw/zinc/32/16/51/573321651.db2.gz JCBLCOVAYQEGJJ-GFCCVEGCSA-N 1 1 196.338 2.003 10 0 AEAEMO CNC[C@H]1CCC[N@H+]1C1CCCCC1 106873872 573321657 /nfs/dbraw/zinc/32/16/57/573321657.db2.gz JCBLCOVAYQEGJJ-GFCCVEGCSA-N 1 1 196.338 2.003 10 0 AEAEMO C[NH2+][C@H]1CN(C(C)(C)C)CCC1(C)C 259415814 573321781 /nfs/dbraw/zinc/32/17/81/573321781.db2.gz YZRDULRHDPOPSS-JTQLQIEISA-N 1 1 198.354 2.105 10 0 AEAEMO C[NH2+][C@@H]1CN(C(C)(C)C)CCC1(C)C 259415817 573322234 /nfs/dbraw/zinc/32/22/34/573322234.db2.gz YZRDULRHDPOPSS-SNVBAGLBSA-N 1 1 198.354 2.105 10 0 AEAEMO CNC[C@@H]1CCC[N@@H+]1C1CCCCC1 106873870 573322287 /nfs/dbraw/zinc/32/22/87/573322287.db2.gz JCBLCOVAYQEGJJ-LBPRGKRZSA-N 1 1 196.338 2.003 10 0 AEAEMO CNC[C@@H]1CCC[N@H+]1C1CCCCC1 106873870 573322295 /nfs/dbraw/zinc/32/22/95/573322295.db2.gz JCBLCOVAYQEGJJ-LBPRGKRZSA-N 1 1 196.338 2.003 10 0 AEAEMO CCC[C@@H](O)C[N@H+]1CCC[C@@H](C)[C@@H]1C 224721071 573323551 /nfs/dbraw/zinc/32/35/51/573323551.db2.gz DIJHMCVAOYMSNA-GRYCIOLGSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@H+]1CC[C@H](CCC2(O)CCC2)C1 258002830 573327208 /nfs/dbraw/zinc/32/72/08/573327208.db2.gz MGSRKQURLVYDGK-NSHDSACASA-N 1 1 197.322 2.023 10 0 AEAEMO CC[N@H+]1CC[C@@H](CCC2(O)CCC2)C1 258002827 573327255 /nfs/dbraw/zinc/32/72/55/573327255.db2.gz MGSRKQURLVYDGK-LLVKDONJSA-N 1 1 197.322 2.023 10 0 AEAEMO C[N@H+]1[C@H]2CC[C@@H]1c1c(N)cccc12 238342857 573327281 /nfs/dbraw/zinc/32/72/81/573327281.db2.gz PVQYFXNILVUGSD-VHSXEESVSA-N 1 1 174.247 2.090 10 0 AEAEMO CC[C@H](C)[N@@H+](CCN)CC1CCCC1 308550165 573327286 /nfs/dbraw/zinc/32/72/86/573327286.db2.gz RKSGFCDAQNANCU-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO C[N@H+]1CC[C@H](c2ccc(F)c(F)c2)C1 117211584 573327635 /nfs/dbraw/zinc/32/76/35/573327635.db2.gz QDXUCQPDXXXLPM-VIFPVBQESA-N 1 1 197.228 2.384 10 0 AEAEMO CCC(C)(C)[C@H](N)C[N@H+]1CCC[C@H]1C 393662015 573330423 /nfs/dbraw/zinc/33/04/23/573330423.db2.gz WQCVGVGWOAYQNG-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[N@@H+](CC)[C@@]1(CN)CC[C@H]1C 308550518 573330214 /nfs/dbraw/zinc/33/02/14/573330214.db2.gz RNRJIUHDNNECOV-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H]1CC[N@H+]([C@@](C)(CC)[C@@H](C)N)C1 308549498 573330368 /nfs/dbraw/zinc/33/03/68/573330368.db2.gz PKGOPSIVYCLXIG-UTUOFQBUSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[N@@H+](CC)[C@@]1(CN)CC[C@@H]1C 308550516 573330561 /nfs/dbraw/zinc/33/05/61/573330561.db2.gz RNRJIUHDNNECOV-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H](C[C@H](C)CC)[N@H+]1CC[C@H](N)C1 50227961 573330720 /nfs/dbraw/zinc/33/07/20/573330720.db2.gz WZGOCWUFJPJGGL-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@@H](C)NC[C@]1(C)CCC[NH2+]1 308559700 573332923 /nfs/dbraw/zinc/33/29/23/573332923.db2.gz WMXODLABPYWSRI-NEPJUHHUSA-N 1 1 198.354 2.153 10 0 AEAEMO CC1(C)CC[N@H+](C2CCCC2)CC1=O 259420721 573332915 /nfs/dbraw/zinc/33/29/15/573332915.db2.gz ZKAQGWKXOVXMDJ-UHFFFAOYSA-N 1 1 195.306 2.230 10 0 AEAEMO CC1(C)CC[N@@H+](C2CCCC2)CC1=O 259420721 573332910 /nfs/dbraw/zinc/33/29/10/573332910.db2.gz ZKAQGWKXOVXMDJ-UHFFFAOYSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@@]1(C)CNC2(CCCCC2)C[NH2+]1 82960905 573334939 /nfs/dbraw/zinc/33/49/39/573334939.db2.gz WEXBOGLEGWSLEN-NSHDSACASA-N 1 1 196.338 2.051 10 0 AEAEMO CC(C)C[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1 82960788 573334953 /nfs/dbraw/zinc/33/49/53/573334953.db2.gz OWYFQPYJNVRUES-WDEREUQCSA-N 1 1 198.354 2.009 10 0 AEAEMO C[C@]1(c2ccccc2Cl)[NH2+]CCO1 258631319 573334990 /nfs/dbraw/zinc/33/49/90/573334990.db2.gz RPICGJXLBJWXOH-JTQLQIEISA-N 1 1 197.665 2.133 10 0 AEAEMO CC(C)C[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1 82960785 573335101 /nfs/dbraw/zinc/33/51/01/573335101.db2.gz OWYFQPYJNVRUES-MNOVXSKESA-N 1 1 198.354 2.009 10 0 AEAEMO CC[C@](C)([C@H](C)NC)[N@H+](C)C1CCC1 308560393 573335289 /nfs/dbraw/zinc/33/52/89/573335289.db2.gz VQHQHCMDPVTKQJ-CMPLNLGQSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@](C)([C@H](C)NC)[N@@H+](C)C1CCC1 308560393 573335295 /nfs/dbraw/zinc/33/52/95/573335295.db2.gz VQHQHCMDPVTKQJ-CMPLNLGQSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@](C)([C@@H](C)NC)[N@H+](C)C1CCC1 308560395 573335365 /nfs/dbraw/zinc/33/53/65/573335365.db2.gz VQHQHCMDPVTKQJ-PWSUYJOCSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@](C)([C@@H](C)NC)[N@@H+](C)C1CCC1 308560395 573335371 /nfs/dbraw/zinc/33/53/71/573335371.db2.gz VQHQHCMDPVTKQJ-PWSUYJOCSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@](C)([C@H](C)NC)[N@H+](C)C1CCC1 308560394 573336075 /nfs/dbraw/zinc/33/60/75/573336075.db2.gz VQHQHCMDPVTKQJ-JQWIXIFHSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@](C)([C@H](C)NC)[N@@H+](C)C1CCC1 308560394 573336082 /nfs/dbraw/zinc/33/60/82/573336082.db2.gz VQHQHCMDPVTKQJ-JQWIXIFHSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@](C)([C@@H](C)NC)[N@H+](C)C1CCC1 308560396 573336307 /nfs/dbraw/zinc/33/63/07/573336307.db2.gz VQHQHCMDPVTKQJ-ZYHUDNBSSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@](C)([C@@H](C)NC)[N@@H+](C)C1CCC1 308560396 573336318 /nfs/dbraw/zinc/33/63/18/573336318.db2.gz VQHQHCMDPVTKQJ-ZYHUDNBSSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@@H]1CNC2(CCCCC2)C[NH2+]1 82960670 573338577 /nfs/dbraw/zinc/33/85/77/573338577.db2.gz CFQDPEHKQOKEPI-LLVKDONJSA-N 1 1 196.338 2.051 10 0 AEAEMO CCC1(CC)C[NH2+][C@H](C(C)(C)C)CN1 82960805 573338488 /nfs/dbraw/zinc/33/84/88/573338488.db2.gz VCSCNDZJTVAHLF-JTQLQIEISA-N 1 1 198.354 2.153 10 0 AEAEMO CCC1(CC)C[NH2+][C@@H](C(C)(C)C)CN1 82960806 573338544 /nfs/dbraw/zinc/33/85/44/573338544.db2.gz VCSCNDZJTVAHLF-SNVBAGLBSA-N 1 1 198.354 2.153 10 0 AEAEMO OCCCC[N@H+]1CC[C@H]2CCCC[C@H]21 132787681 573339388 /nfs/dbraw/zinc/33/93/88/573339388.db2.gz SSQSNOONOILANK-VXGBXAGGSA-N 1 1 197.322 2.023 10 0 AEAEMO CCC[N@@H+](CC)[C@H](CN)[C@@]1(C)C[C@@H]1C 714674262 573340832 /nfs/dbraw/zinc/34/08/32/573340832.db2.gz ABJSWLRGCCRTQI-TUAOUCFPSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCC(=O)CC1(C)C 259422056 573339926 /nfs/dbraw/zinc/33/99/26/573339926.db2.gz NLEZESMOULDSHL-SECBINFHSA-N 1 1 183.295 2.228 10 0 AEAEMO COC[N@H+](C)CCc1sccc1C 259091640 573340153 /nfs/dbraw/zinc/34/01/53/573340153.db2.gz NPYGHNSCMNGZJK-UHFFFAOYSA-N 1 1 199.319 2.135 10 0 AEAEMO COC[N@@H+](C)CCc1sccc1C 259091640 573340159 /nfs/dbraw/zinc/34/01/59/573340159.db2.gz NPYGHNSCMNGZJK-UHFFFAOYSA-N 1 1 199.319 2.135 10 0 AEAEMO CCC[N@@H+](CC)[C@H](CN)[C@]1(C)C[C@@H]1C 714674259 573340183 /nfs/dbraw/zinc/34/01/83/573340183.db2.gz ABJSWLRGCCRTQI-QJPTWQEYSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@]1(c2ccccc2Cl)[NH2+]CCO1 258631324 573340357 /nfs/dbraw/zinc/34/03/57/573340357.db2.gz RPICGJXLBJWXOH-SNVBAGLBSA-N 1 1 197.665 2.133 10 0 AEAEMO CCC[NH2+]C[C@](C)(CC)CN1CCC1 308554667 573340378 /nfs/dbraw/zinc/34/03/78/573340378.db2.gz UMBGYPQXMXKGRE-LBPRGKRZSA-N 1 1 198.354 2.108 10 0 AEAEMO CC[C@H](C)[C@H]1C[NH2+][C@H](C(C)(C)C)CN1 82960784 573340424 /nfs/dbraw/zinc/34/04/24/573340424.db2.gz HJZOBXBCOKWKHA-AXFHLTTASA-N 1 1 198.354 2.009 10 0 AEAEMO C[N@@H+]1CCc2cc(Cl)ccc2C1 74448674 573340551 /nfs/dbraw/zinc/34/05/51/573340551.db2.gz WENOSXQZUHWESJ-UHFFFAOYSA-N 1 1 181.666 2.328 10 0 AEAEMO C[N@H+]1CCc2cc(Cl)ccc2C1 74448674 573340555 /nfs/dbraw/zinc/34/05/55/573340555.db2.gz WENOSXQZUHWESJ-UHFFFAOYSA-N 1 1 181.666 2.328 10 0 AEAEMO CC(C)C[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1 82960787 573340737 /nfs/dbraw/zinc/34/07/37/573340737.db2.gz OWYFQPYJNVRUES-GHMZBOCLSA-N 1 1 198.354 2.009 10 0 AEAEMO CCC[NH2+]C[C@@](C)(CC)CN1CCC1 308554666 573340972 /nfs/dbraw/zinc/34/09/72/573340972.db2.gz UMBGYPQXMXKGRE-GFCCVEGCSA-N 1 1 198.354 2.108 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@H](CN)[C@]1(C)C[C@@H]1C 714676286 573342845 /nfs/dbraw/zinc/34/28/45/573342845.db2.gz DFARZNFXEDROQH-NNYUYHANSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC[N@@H+](CC)c1ccc(N)c(N)c1 233041392 573342874 /nfs/dbraw/zinc/34/28/74/573342874.db2.gz SXAKUWGJLJRLAJ-UHFFFAOYSA-N 1 1 193.294 2.087 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@H](CN)[C@]1(C)C[C@H]1C 714676288 573342923 /nfs/dbraw/zinc/34/29/23/573342923.db2.gz DFARZNFXEDROQH-WRWGMCAJSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@@](C)([C@H](C)O)[N@@H+](C)CC1CCC1 308556762 573343856 /nfs/dbraw/zinc/34/38/56/573343856.db2.gz SSUASGIYURDLKX-JQWIXIFHSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)C1(CO)CCC1 308354029 573344437 /nfs/dbraw/zinc/34/44/37/573344437.db2.gz AAIDQMJBBIFICX-SNVBAGLBSA-N 1 1 185.311 2.022 10 0 AEAEMO Cc1ccsc1[C@@H](C[NH3+])NC(C)C 50270822 573345235 /nfs/dbraw/zinc/34/52/35/573345235.db2.gz HHEHPRJCXUMIPP-SECBINFHSA-N 1 1 198.335 2.054 10 0 AEAEMO CCCC[N@@H+](C)[C@@H](CN)C1CCCC1 50272083 573345288 /nfs/dbraw/zinc/34/52/88/573345288.db2.gz KVRRFXYYJQIXFC-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[N@H+]([C@@H](C)CN)[C@H](C)CC 50280143 573345485 /nfs/dbraw/zinc/34/54/85/573345485.db2.gz PKPPDMMITBYLOB-MNOVXSKESA-N 1 1 186.343 2.234 10 0 AEAEMO CC(C)C(=O)C[N@H+]1C[C@H](C)CC[C@H]1C 86276740 573345533 /nfs/dbraw/zinc/34/55/33/573345533.db2.gz MUCQWXOUOQISPS-GHMZBOCLSA-N 1 1 197.322 2.332 10 0 AEAEMO CCCC[N@@H+](C)[C@H](CN)C1CCCC1 50272084 573345550 /nfs/dbraw/zinc/34/55/50/573345550.db2.gz KVRRFXYYJQIXFC-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@](C)([C@@H](C)O)[N@@H+](C)CC1CCC1 308556763 573345670 /nfs/dbraw/zinc/34/56/70/573345670.db2.gz SSUASGIYURDLKX-PWSUYJOCSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1C 86276629 573345683 /nfs/dbraw/zinc/34/56/83/573345683.db2.gz NBSUVNILIZQEMF-GHMZBOCLSA-N 1 1 197.322 2.332 10 0 AEAEMO CC(C)C(=O)C[N@H+]1CCCCC[C@H]1C 86276715 573346587 /nfs/dbraw/zinc/34/65/87/573346587.db2.gz SPNJZTSJGIADLI-LLVKDONJSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(C)C(=O)C[N@H+]1C[C@@H](C)CC[C@H]1C 86276741 573346631 /nfs/dbraw/zinc/34/66/31/573346631.db2.gz MUCQWXOUOQISPS-WDEREUQCSA-N 1 1 197.322 2.332 10 0 AEAEMO Cc1ccc([C@H](C[NH3+])NC(C)C)s1 50270972 573346668 /nfs/dbraw/zinc/34/66/68/573346668.db2.gz NYFWTYQFIYFTNT-VIFPVBQESA-N 1 1 198.335 2.054 10 0 AEAEMO CC[N@H+]1CCCC[C@H]1C/C=C\CCO 258290379 573346708 /nfs/dbraw/zinc/34/67/08/573346708.db2.gz TYDJPIWTQZFDMI-VSQXVHSFSA-N 1 1 197.322 2.190 10 0 AEAEMO CCC[N@@H+](C)[C@H](C)C[C@H]1CCOC1 308360731 573349088 /nfs/dbraw/zinc/34/90/88/573349088.db2.gz MDDOCRNYFVGPJU-GHMZBOCLSA-N 1 1 185.311 2.143 10 0 AEAEMO CC(C)C(=O)C[N@H+]1CCC[C@@H](C)CC1 86276690 573348736 /nfs/dbraw/zinc/34/87/36/573348736.db2.gz NWWBDAJJNKPEMB-LLVKDONJSA-N 1 1 197.322 2.334 10 0 AEAEMO CC(C)C(=O)C[N@H+]1CCC[C@H](C)[C@H]1C 86276630 573348839 /nfs/dbraw/zinc/34/88/39/573348839.db2.gz NBSUVNILIZQEMF-WDEREUQCSA-N 1 1 197.322 2.332 10 0 AEAEMO CCC[N@@H+](C)[C@H](C)C[C@@H]1CCOC1 308360734 573349141 /nfs/dbraw/zinc/34/91/41/573349141.db2.gz MDDOCRNYFVGPJU-MNOVXSKESA-N 1 1 185.311 2.143 10 0 AEAEMO CC(C)C(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C 86276633 573349293 /nfs/dbraw/zinc/34/92/93/573349293.db2.gz KPXMDPPGADTGGD-GHMZBOCLSA-N 1 1 197.322 2.332 10 0 AEAEMO CCCC[N@@H+](C)[C@@]1(CN)CCC1(C)C 308558316 573349879 /nfs/dbraw/zinc/34/98/79/573349879.db2.gz VPXXSLCHHRFBCA-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCN(C)[C@@]1(C[NH3+])CCC1(C)C 308558316 573349885 /nfs/dbraw/zinc/34/98/85/573349885.db2.gz VPXXSLCHHRFBCA-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)C(=O)C[N@H+]1CCCC(C)(C)C1 86276710 573350285 /nfs/dbraw/zinc/35/02/85/573350285.db2.gz MJDVUIXULKBSPU-UHFFFAOYSA-N 1 1 197.322 2.334 10 0 AEAEMO CCCC[N@@H+](C)[C@]1(CN)CCC1(C)C 308558317 573350907 /nfs/dbraw/zinc/35/09/07/573350907.db2.gz VPXXSLCHHRFBCA-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCN(C)[C@]1(C[NH3+])CCC1(C)C 308558317 573350910 /nfs/dbraw/zinc/35/09/10/573350910.db2.gz VPXXSLCHHRFBCA-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCC[N@H+]1CCC(C)(C)[C@@H]([NH3+])C1 259424705 573351681 /nfs/dbraw/zinc/35/16/81/573351681.db2.gz ZRIOZFFHAIELAC-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCC[N@@H+]1CC(=O)CC1(C)C 259424213 573351050 /nfs/dbraw/zinc/35/10/50/573351050.db2.gz NPSKRCCKFWBVLJ-UHFFFAOYSA-N 1 1 183.295 2.230 10 0 AEAEMO CCCCC[N@H+]1CC(=O)CC1(C)C 259424213 573351058 /nfs/dbraw/zinc/35/10/58/573351058.db2.gz NPSKRCCKFWBVLJ-UHFFFAOYSA-N 1 1 183.295 2.230 10 0 AEAEMO CCC1(C[N@H+]2CCC[C@@H]2CO)CCC1 308559357 573351199 /nfs/dbraw/zinc/35/11/99/573351199.db2.gz DFXWUZMHISEYPR-LLVKDONJSA-N 1 1 197.322 2.023 10 0 AEAEMO CC(C)CC[N@H+]1CCC(=O)[C@H](C)[C@H]1C 86302976 573351500 /nfs/dbraw/zinc/35/15/00/573351500.db2.gz VTNAOZUOVGDZOI-GHMZBOCLSA-N 1 1 197.322 2.332 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CCC(=O)[C@H](C)[C@@H]1C 86303435 573353177 /nfs/dbraw/zinc/35/31/77/573353177.db2.gz URHHPKLMERDNET-VWYCJHECSA-N 1 1 197.322 2.330 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC(=O)[C@H](C)[C@@H]1C 86303121 573352502 /nfs/dbraw/zinc/35/25/02/573352502.db2.gz XEGFAQKQALYUMA-AEJSXWLSSA-N 1 1 183.295 2.084 10 0 AEAEMO C[C@@H]1C(=O)CC[N@H+]([C@@H](C)C2CC2)[C@H]1C 86303638 573352649 /nfs/dbraw/zinc/35/26/49/573352649.db2.gz JLAOSRPDIRURDB-GUBZILKMSA-N 1 1 195.306 2.084 10 0 AEAEMO CCC[N@@H+](CC)C[C@@H]1CCC[C@H](O)C1 308558710 573352744 /nfs/dbraw/zinc/35/27/44/573352744.db2.gz CUQYJINBJMZYHW-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CCc1c(C)[nH+]c2c(N)c(C)ccn12 74536343 573352894 /nfs/dbraw/zinc/35/28/94/573352894.db2.gz KQIQFYJHLABQFO-UHFFFAOYSA-N 1 1 189.262 2.096 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CCC(=O)[C@@H](C)[C@@H]1C 86303438 573352897 /nfs/dbraw/zinc/35/28/97/573352897.db2.gz URHHPKLMERDNET-DCAQKATOSA-N 1 1 197.322 2.330 10 0 AEAEMO CC(C)CC[N@H+]1CCC(=O)[C@H](C)[C@@H]1C 86302972 573353014 /nfs/dbraw/zinc/35/30/14/573353014.db2.gz VTNAOZUOVGDZOI-MNOVXSKESA-N 1 1 197.322 2.332 10 0 AEAEMO CCC[N@@H+](CC)C[C@H]1CCC[C@H](O)C1 308558712 573353091 /nfs/dbraw/zinc/35/30/91/573353091.db2.gz CUQYJINBJMZYHW-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CCc1[nH+]c2c(N)ccc(C)n2c1C 74536350 573353094 /nfs/dbraw/zinc/35/30/94/573353094.db2.gz FFAHXMDBHYKDPG-UHFFFAOYSA-N 1 1 189.262 2.096 10 0 AEAEMO C[C@H]1C(=O)CC[N@@H+](CC(C)(C)C)[C@@H]1C 86304134 573353116 /nfs/dbraw/zinc/35/31/16/573353116.db2.gz QLVQFSNNQMTCJV-NXEZZACHSA-N 1 1 197.322 2.332 10 0 AEAEMO CCC[N@@H+](CC)C[C@@H]1CCC[C@@H](O)C1 308558713 573353749 /nfs/dbraw/zinc/35/37/49/573353749.db2.gz CUQYJINBJMZYHW-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO C[C@H]1[C@@H](C)C(=O)CC[N@H+]1CC(C)(C)C 86304129 573354214 /nfs/dbraw/zinc/35/42/14/573354214.db2.gz QLVQFSNNQMTCJV-ZJUUUORDSA-N 1 1 197.322 2.332 10 0 AEAEMO C[C@@H]1C(=O)CC[N@@H+](CC2CCC2)[C@@H]1C 86303501 573354310 /nfs/dbraw/zinc/35/43/10/573354310.db2.gz BTKFUJBCFCGMNH-VHSXEESVSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@@H]1C(=O)CC[N@@H+](C2CCCC2)[C@H]1C 86303234 573354430 /nfs/dbraw/zinc/35/44/30/573354430.db2.gz URTSOHAZUCANGH-UWVGGRQHSA-N 1 1 195.306 2.228 10 0 AEAEMO CCc1c(C)[nH+]c2c(N)ccc(C)n12 74536333 573354451 /nfs/dbraw/zinc/35/44/51/573354451.db2.gz MWNJOCAWUPJTEM-UHFFFAOYSA-N 1 1 189.262 2.096 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@H]([NH2+]C)[C@H](C)[C@@H]1C 86303124 573354698 /nfs/dbraw/zinc/35/46/98/573354698.db2.gz PYWIIGDWJXFZHT-USZNOCQGSA-N 1 1 198.354 2.103 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCC(=O)[C@H](C)[C@@H]1C 86303049 573355086 /nfs/dbraw/zinc/35/50/86/573355086.db2.gz GDCRVYQDMOUDLB-AXFHLTTASA-N 1 1 197.322 2.474 10 0 AEAEMO C[C@@H]1C(=O)CC[N@@H+](CC2CCC2)[C@H]1C 86303498 573355133 /nfs/dbraw/zinc/35/51/33/573355133.db2.gz BTKFUJBCFCGMNH-UWVGGRQHSA-N 1 1 195.306 2.086 10 0 AEAEMO CCC[N@@H+](CCCO)C1CCCC1 308361558 573355134 /nfs/dbraw/zinc/35/51/34/573355134.db2.gz MGKROYGZJJEVCU-UHFFFAOYSA-N 1 1 185.311 2.023 10 0 AEAEMO CCC(CC)[N@H+]1CCC(=O)[C@@H](C)[C@@H]1C 86303261 573355225 /nfs/dbraw/zinc/35/52/25/573355225.db2.gz XZMMRJBCYJWGBN-UWVGGRQHSA-N 1 1 197.322 2.474 10 0 AEAEMO C[C@@H]1C(=O)CC[N@H+]([C@@H](C)C2CC2)[C@@H]1C 86303642 573355299 /nfs/dbraw/zinc/35/52/99/573355299.db2.gz JLAOSRPDIRURDB-AEJSXWLSSA-N 1 1 195.306 2.084 10 0 AEAEMO CCCCCC[N@H+]1CC[C@@H](O)C1(C)C 308561021 573355342 /nfs/dbraw/zinc/35/53/42/573355342.db2.gz FETIVQOSXXZXMQ-LLVKDONJSA-N 1 1 199.338 2.412 10 0 AEAEMO CCCC[N@H+]1CCC(=O)[C@H](C)[C@@H]1C 86302953 573355424 /nfs/dbraw/zinc/35/54/24/573355424.db2.gz MGRJLJICTOYJGN-ZJUUUORDSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CCC(=O)[C@@H](C)[C@H]1C 86303442 573356901 /nfs/dbraw/zinc/35/69/01/573356901.db2.gz URHHPKLMERDNET-GARJFASQSA-N 1 1 197.322 2.330 10 0 AEAEMO C[NH2+][C@H](CF)c1ccccc1F 107123108 573358684 /nfs/dbraw/zinc/35/86/84/573358684.db2.gz IQSXRGTTYPXOSO-SECBINFHSA-N 1 1 171.190 2.056 10 0 AEAEMO Cc1cn2c(ccc3cccc(N)c32)[nH+]1 258010842 573357999 /nfs/dbraw/zinc/35/79/99/573357999.db2.gz HFMABZCWUFJLCU-UHFFFAOYSA-N 1 1 197.241 2.378 10 0 AEAEMO C[C@H]1C(=O)CC[N@@H+](CCC2CC2)[C@@H]1C 86305502 573358378 /nfs/dbraw/zinc/35/83/78/573358378.db2.gz KIGCIIZADVXGJZ-NXEZZACHSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@@H]1C(=O)CC[N@@H+](CCC2CC2)[C@H]1C 86305501 573358413 /nfs/dbraw/zinc/35/84/13/573358413.db2.gz KIGCIIZADVXGJZ-UWVGGRQHSA-N 1 1 195.306 2.086 10 0 AEAEMO C[NH2+][C@@H](CF)c1ccccc1F 107123104 573358459 /nfs/dbraw/zinc/35/84/59/573358459.db2.gz IQSXRGTTYPXOSO-VIFPVBQESA-N 1 1 171.190 2.056 10 0 AEAEMO CSCNc1cccc(C)[nH+]1 238368607 573358506 /nfs/dbraw/zinc/35/85/06/573358506.db2.gz HMQZNZWVANECFF-UHFFFAOYSA-N 1 1 168.265 2.122 10 0 AEAEMO C[C@H](C[NH3+])[C@@H](C)[N@H+]1CCCC(C)(C)C1 86312689 573358636 /nfs/dbraw/zinc/35/86/36/573358636.db2.gz SDEPJWISXMEQDK-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)CC[N@@H+](C)[C@@]1(CN)CC[C@@H]1C 308562718 573360711 /nfs/dbraw/zinc/36/07/11/573360711.db2.gz YKCOCRAYGVQEDW-NWDGAFQWSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCC(=O)[C@H](C)[C@@H]1C 86304711 573360098 /nfs/dbraw/zinc/36/00/98/573360098.db2.gz GEUJVVZZPYSHBV-AXFHLTTASA-N 1 1 197.322 2.332 10 0 AEAEMO C[C@@H]1C(=O)CC[N@@H+](CCC2CC2)[C@@H]1C 86305504 573360351 /nfs/dbraw/zinc/36/03/51/573360351.db2.gz KIGCIIZADVXGJZ-VHSXEESVSA-N 1 1 195.306 2.086 10 0 AEAEMO CC(C)CC[N@@H+](C)[C@]1(CN)CC[C@H]1C 308562717 573360398 /nfs/dbraw/zinc/36/03/98/573360398.db2.gz YKCOCRAYGVQEDW-NEPJUHHUSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)CC[N@@H+](C)[C@]1(CN)CC[C@@H]1C 308562719 573360552 /nfs/dbraw/zinc/36/05/52/573360552.db2.gz YKCOCRAYGVQEDW-RYUDHWBXSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1CCC[N@H+](C2CCC2)C1 208836444 573360653 /nfs/dbraw/zinc/36/06/53/573360653.db2.gz MBUYCLBJIDKZFQ-SECBINFHSA-N 1 1 153.269 2.271 10 0 AEAEMO COCC[N@@H+](CC=C(C)C)C1CC1 308368487 573363017 /nfs/dbraw/zinc/36/30/17/573363017.db2.gz PBZAWHFWUPTQMS-UHFFFAOYSA-N 1 1 183.295 2.063 10 0 AEAEMO c1ccc([C@@]23CCC[N@H+]2CC3)cc1 258007827 573362515 /nfs/dbraw/zinc/36/25/15/573362515.db2.gz MMARKVAWVUHRFT-LBPRGKRZSA-N 1 1 173.259 2.381 10 0 AEAEMO COC[C@H](C)[N@@H+](C)CC=C1CCC1 308370037 573362625 /nfs/dbraw/zinc/36/26/25/573362625.db2.gz PUOZJTBHYVCYKC-JTQLQIEISA-N 1 1 183.295 2.063 10 0 AEAEMO C/C=C\C[N@H+](CC)C[C@H]1CCCO1 308369391 573362714 /nfs/dbraw/zinc/36/27/14/573362714.db2.gz PQJNQVAKEFLEEZ-USEMIUTHSA-N 1 1 183.295 2.063 10 0 AEAEMO C[C@@H]([C@H](C)C[NH3+])[N@H+]1CCCC(C)(C)C1 86312691 573363013 /nfs/dbraw/zinc/36/30/13/573363013.db2.gz SDEPJWISXMEQDK-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO COC[C@@H](C)[N@@H+](C)CC=C1CCC1 308370040 573365109 /nfs/dbraw/zinc/36/51/09/573365109.db2.gz PUOZJTBHYVCYKC-SNVBAGLBSA-N 1 1 183.295 2.063 10 0 AEAEMO CNC(C)(C)C[NH2+][C@@H]1CCCC1(C)C 393663091 573365129 /nfs/dbraw/zinc/36/51/29/573365129.db2.gz YUJYVDYOOHMGKS-SNVBAGLBSA-N 1 1 198.354 2.153 10 0 AEAEMO C/C=C/C[N@H+](CC)C[C@H]1CCCO1 308369387 573365149 /nfs/dbraw/zinc/36/51/49/573365149.db2.gz PQJNQVAKEFLEEZ-JOAKQRRISA-N 1 1 183.295 2.063 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@@]1(CN)CC[C@H]1C 308564111 573366852 /nfs/dbraw/zinc/36/68/52/573366852.db2.gz ZCUIXPXSQJPHPU-VXGBXAGGSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@]1(CN)CC[C@@H]1C 308564110 573367495 /nfs/dbraw/zinc/36/74/95/573367495.db2.gz ZCUIXPXSQJPHPU-RYUDHWBXSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@@]1(CN)CC[C@@H]1C 308564108 573369060 /nfs/dbraw/zinc/36/90/60/573369060.db2.gz ZCUIXPXSQJPHPU-NWDGAFQWSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](F)C[N@@H+](CC)[C@H](C)COC 308374017 573372704 /nfs/dbraw/zinc/37/27/04/573372704.db2.gz RIVVDTUEDXYKDA-ZJUUUORDSA-N 1 1 191.290 2.091 10 0 AEAEMO C[C@@H]1C[C@](O)(C2CCCC2)CC[N@H+]1C 107140903 573372918 /nfs/dbraw/zinc/37/29/18/573372918.db2.gz AJGOHURNHNHWDC-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO CC/C=C/CC[N@@H+](CC)C[C@H](C)O 308375041 573373566 /nfs/dbraw/zinc/37/35/66/573373566.db2.gz RSLQMBDLRMSQAZ-MLRMMBSGSA-N 1 1 185.311 2.045 10 0 AEAEMO CC[C@@H](C)C1(O)C[C@@H]2CC[C@H](C1)[N@H+]2C 107140918 573373705 /nfs/dbraw/zinc/37/37/05/573373705.db2.gz QZXAZQADUNDVGF-YIBTVLSRSA-N 1 1 197.322 2.020 10 0 AEAEMO CC/C=C\CC[N@@H+](CC)C[C@H](C)O 308375044 573374799 /nfs/dbraw/zinc/37/47/99/573374799.db2.gz RSLQMBDLRMSQAZ-ZADCQDASSA-N 1 1 185.311 2.045 10 0 AEAEMO CC[C@@H]1CC[C@@H]([N@@H+]2CCC(=O)C2)[C@@H]1C 83049349 573374659 /nfs/dbraw/zinc/37/46/59/573374659.db2.gz SDVKORCMJYOBLP-CKYFFXLPSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@@H]1CC[C@@H]([N@H+]2CCC(=O)C2)[C@@H]1C 83049349 573374664 /nfs/dbraw/zinc/37/46/64/573374664.db2.gz SDVKORCMJYOBLP-CKYFFXLPSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@@]1([C@H]2CCCCN2)CCCC[NH2+]1 258327696 573375035 /nfs/dbraw/zinc/37/50/35/573375035.db2.gz WTCBIWOQZBLIBD-NEPJUHHUSA-N 1 1 196.338 2.051 10 0 AEAEMO CC[C@@]1([C@H]2CCCC[NH2+]2)CCCCN1 258327696 573375040 /nfs/dbraw/zinc/37/50/40/573375040.db2.gz WTCBIWOQZBLIBD-NEPJUHHUSA-N 1 1 196.338 2.051 10 0 AEAEMO CC/C=C\CC[N@@H+](CC)C[C@@H](C)O 308375040 573375042 /nfs/dbraw/zinc/37/50/42/573375042.db2.gz RSLQMBDLRMSQAZ-JMEBYUIHSA-N 1 1 185.311 2.045 10 0 AEAEMO CC[C@@H]1CC[C@H]([N@@H+]2CCC(=O)C2)[C@@H]1C 83049340 573375191 /nfs/dbraw/zinc/37/51/91/573375191.db2.gz SDVKORCMJYOBLP-FOGDFJRCSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@@H]1CC[C@H]([N@H+]2CCC(=O)C2)[C@@H]1C 83049340 573375196 /nfs/dbraw/zinc/37/51/96/573375196.db2.gz SDVKORCMJYOBLP-FOGDFJRCSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@]1([C@@H]2CCCCN2)CCCC[NH2+]1 258327701 573375229 /nfs/dbraw/zinc/37/52/29/573375229.db2.gz WTCBIWOQZBLIBD-NWDGAFQWSA-N 1 1 196.338 2.051 10 0 AEAEMO CC[C@]1([C@@H]2CCCC[NH2+]2)CCCCN1 258327701 573375233 /nfs/dbraw/zinc/37/52/33/573375233.db2.gz WTCBIWOQZBLIBD-NWDGAFQWSA-N 1 1 196.338 2.051 10 0 AEAEMO C[C@H]1[C@H](N)CC[N@@H+]1CCCC(C)(C)C 308565746 573375359 /nfs/dbraw/zinc/37/53/59/573375359.db2.gz APXSVSPGRAKYCR-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]1[C@H](N)CC[N@H+]1CCCC(C)(C)C 308565746 573375363 /nfs/dbraw/zinc/37/53/63/573375363.db2.gz APXSVSPGRAKYCR-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]1[C@H]([NH3+])CCN1CCCC(C)(C)C 308565746 573375367 /nfs/dbraw/zinc/37/53/67/573375367.db2.gz APXSVSPGRAKYCR-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[N@@H+](CCN)CC1(C)CCC1 308565832 573375453 /nfs/dbraw/zinc/37/54/53/573375453.db2.gz HRDAHVJOQDIMDB-UHFFFAOYSA-N 1 1 198.354 2.093 10 0 AEAEMO CCC[C@@H]1CN(C)CC[C@H]1[NH2+]C(C)C 308565778 573375620 /nfs/dbraw/zinc/37/56/20/573375620.db2.gz APZZLKOWLCDQLI-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H]1[C@H](N)CC[N@@H+]1CCCC(C)(C)C 308565705 573376033 /nfs/dbraw/zinc/37/60/33/573376033.db2.gz APXSVSPGRAKYCR-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]1[C@H](N)CC[N@H+]1CCCC(C)(C)C 308565705 573376039 /nfs/dbraw/zinc/37/60/39/573376039.db2.gz APXSVSPGRAKYCR-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]1[C@H]([NH3+])CCN1CCCC(C)(C)C 308565705 573376041 /nfs/dbraw/zinc/37/60/41/573376041.db2.gz APXSVSPGRAKYCR-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CC/C=C/CC[N@@H+](CC)C[C@@H](C)O 308375043 573376240 /nfs/dbraw/zinc/37/62/40/573376240.db2.gz RSLQMBDLRMSQAZ-XUIVZRPNSA-N 1 1 185.311 2.045 10 0 AEAEMO CC[C@H](C)C1(O)C[C@@H]2CC[C@H](C1)[N@H+]2C 107140921 573376168 /nfs/dbraw/zinc/37/61/68/573376168.db2.gz QZXAZQADUNDVGF-WSMDXJOWSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@@H]1C[C@@](O)(C2CCCC2)CC[N@H+]1C 107140908 573376374 /nfs/dbraw/zinc/37/63/74/573376374.db2.gz AJGOHURNHNHWDC-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCC[N@H+]1[C@H](C)C[C@@H](C)C[C@@H]1CN 308565076 573376518 /nfs/dbraw/zinc/37/65/18/573376518.db2.gz XZPMEORCAVKALJ-IJLUTSLNSA-N 1 1 198.354 2.234 10 0 AEAEMO N[C@H](C[NH2+]C1CC1)CC1CCCCC1 308565811 573376848 /nfs/dbraw/zinc/37/68/48/573376848.db2.gz YFYWXUYPFALPGO-NSHDSACASA-N 1 1 196.338 2.036 10 0 AEAEMO C[N@H+]1CCC[C@@H]1c1ccc(C=O)cc1 117873184 573377055 /nfs/dbraw/zinc/37/70/55/573377055.db2.gz IOHFBBHAYBGFPF-GFCCVEGCSA-N 1 1 189.258 2.266 10 0 AEAEMO CCCC[N@@H+]1[C@H](CN)C[C@@H](C)C[C@H]1C 308565079 573377603 /nfs/dbraw/zinc/37/76/03/573377603.db2.gz XZPMEORCAVKALJ-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@]1([C@H]2CCCCN2)CCCC[NH2+]1 258327710 573377715 /nfs/dbraw/zinc/37/77/15/573377715.db2.gz WTCBIWOQZBLIBD-VXGBXAGGSA-N 1 1 196.338 2.051 10 0 AEAEMO CC[C@]1([C@H]2CCCC[NH2+]2)CCCCN1 258327710 573377719 /nfs/dbraw/zinc/37/77/19/573377719.db2.gz WTCBIWOQZBLIBD-VXGBXAGGSA-N 1 1 196.338 2.051 10 0 AEAEMO C[C@@H]1C[C@](O)(CC(C)(C)C)CC[N@H+]1C 107142727 573377747 /nfs/dbraw/zinc/37/77/47/573377747.db2.gz PRCCULMORSGIBV-PWSUYJOCSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@]1([C@@H]2CCCCN2)CCCC[NH2+]1 258327706 573378056 /nfs/dbraw/zinc/37/80/56/573378056.db2.gz WTCBIWOQZBLIBD-RYUDHWBXSA-N 1 1 196.338 2.051 10 0 AEAEMO CC[C@@]1([C@@H]2CCCC[NH2+]2)CCCCN1 258327706 573378062 /nfs/dbraw/zinc/37/80/62/573378062.db2.gz WTCBIWOQZBLIBD-RYUDHWBXSA-N 1 1 196.338 2.051 10 0 AEAEMO N[C@@H](C[NH2+]C1CC1)CC1CCCCC1 308565809 573378140 /nfs/dbraw/zinc/37/81/40/573378140.db2.gz YFYWXUYPFALPGO-LLVKDONJSA-N 1 1 196.338 2.036 10 0 AEAEMO CCC[C@H]1CN(C)CC[C@H]1[NH2+]C(C)C 308565767 573378210 /nfs/dbraw/zinc/37/82/10/573378210.db2.gz APZZLKOWLCDQLI-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@H]1CN(C(C)(C)C)CC[NH2+]1 83059342 573380420 /nfs/dbraw/zinc/38/04/20/573380420.db2.gz DUEPGLGXJIDEMT-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1CN(C2CCCC2)CC[NH2+]1 83059797 573381365 /nfs/dbraw/zinc/38/13/65/573381365.db2.gz ROFSZYZFRDVVER-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H](C)[C@H]1C[N@H+](C(C)(C)C)CCN1 83059342 573380414 /nfs/dbraw/zinc/38/04/14/573380414.db2.gz DUEPGLGXJIDEMT-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1C[N@H+](C2CCCC2)CCN1 83059797 573381360 /nfs/dbraw/zinc/38/13/60/573381360.db2.gz ROFSZYZFRDVVER-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC(C)NC[C@H](C)[NH2+]C[C@H](C)C1CC1 162346020 573381653 /nfs/dbraw/zinc/38/16/53/573381653.db2.gz QVJKLVXJPOLDEP-QWRGUYRKSA-N 1 1 198.354 2.009 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCNC2(CCCC2)C1 83059610 573381436 /nfs/dbraw/zinc/38/14/36/573381436.db2.gz GVFUWNNXUKFFQK-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@@H](C)N1CC[NH2+]C2(CCCC2)C1 83059610 573381442 /nfs/dbraw/zinc/38/14/42/573381442.db2.gz GVFUWNNXUKFFQK-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CCCC[C@H](N)C[NH2+]C[C@@H](C)C1CC1 133213888 573381532 /nfs/dbraw/zinc/38/15/32/573381532.db2.gz BMSZAVOJFHMTPF-PWSUYJOCSA-N 1 1 198.354 2.140 10 0 AEAEMO CC[N@@H+](CC1CC1)[C@@](C)(CC)[C@H](C)N 308566438 573381544 /nfs/dbraw/zinc/38/15/44/573381544.db2.gz YQCYXDQWDFJXCX-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)(C)[C@H]1C[N@H+](C(C)(C)C)CCN1 83059354 573381628 /nfs/dbraw/zinc/38/16/28/573381628.db2.gz QOFMYSOAQGPEHZ-SNVBAGLBSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)(C)[C@H]1CN(C(C)(C)C)CC[NH2+]1 83059354 573381633 /nfs/dbraw/zinc/38/16/33/573381633.db2.gz QOFMYSOAQGPEHZ-SNVBAGLBSA-N 1 1 198.354 2.105 10 0 AEAEMO C/C=C(\C)C[NH2+]CC(C)(C)CN(C)C 308567016 573382671 /nfs/dbraw/zinc/38/26/71/573382671.db2.gz BAGKAAGLJRGQGP-YRNVUSSQSA-N 1 1 198.354 2.130 10 0 AEAEMO CC[C@](C)(C(C)=O)[N@@H+](C)C[C@H]1C[C@H]1C 308566357 573382810 /nfs/dbraw/zinc/38/28/10/573382810.db2.gz YMBAXEBUBJKLEA-YUSALJHKSA-N 1 1 197.322 2.332 10 0 AEAEMO CC[C@H](C)[C@@](C)(CN)[N@@H+](C)CC1CC1 308567637 573384688 /nfs/dbraw/zinc/38/46/88/573384688.db2.gz ZGBNNEKAIGSVNO-CMPLNLGQSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(N)(CC)C[NH2+]C[C@@H](C)C1CC1 133208599 573384753 /nfs/dbraw/zinc/38/47/53/573384753.db2.gz FQNYADUZJVLBQD-SNVBAGLBSA-N 1 1 198.354 2.140 10 0 AEAEMO CCCN(C)C[C@@H](C)[N@@H+](C)CCC 308372405 573384870 /nfs/dbraw/zinc/38/48/70/573384870.db2.gz QQZLVDLRVPVVGQ-LLVKDONJSA-N 1 1 186.343 2.059 10 0 AEAEMO CCCN(C)[C@H](C)C[N@H+](C)CCC 308372405 573384873 /nfs/dbraw/zinc/38/48/73/573384873.db2.gz QQZLVDLRVPVVGQ-LLVKDONJSA-N 1 1 186.343 2.059 10 0 AEAEMO CCCN(C)[C@H](C)C[N@@H+](C)CCC 308372405 573384879 /nfs/dbraw/zinc/38/48/79/573384879.db2.gz QQZLVDLRVPVVGQ-LLVKDONJSA-N 1 1 186.343 2.059 10 0 AEAEMO CC(C)=CCN1C[C@H](C)[NH2+]CC[C@@H]1C 235580136 573384945 /nfs/dbraw/zinc/38/49/45/573384945.db2.gz XHBAVDAUTRKWAJ-RYUDHWBXSA-N 1 1 196.338 2.025 10 0 AEAEMO CC[C@H](C)N1C[C@H](C(C)C)[NH2+]C[C@@H]1C 83085116 573387057 /nfs/dbraw/zinc/38/70/57/573387057.db2.gz JQRBELOIGXPTQS-SDDRHHMPSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H](C(C)C)[N@H+]1CCNC(C)(C)C1 83062216 573386606 /nfs/dbraw/zinc/38/66/06/573386606.db2.gz XKTZCWIHCIYVTK-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO C/C=C\CC[N@@H+]1C[C@H](C)NC[C@@H]1CC 308373920 573386641 /nfs/dbraw/zinc/38/66/41/573386641.db2.gz IEAWHBNXNRDOGS-XSCYXQHBSA-N 1 1 196.338 2.025 10 0 AEAEMO C/C=C\CCN1C[C@H](C)[NH2+]C[C@@H]1CC 308373920 573386646 /nfs/dbraw/zinc/38/66/46/573386646.db2.gz IEAWHBNXNRDOGS-XSCYXQHBSA-N 1 1 196.338 2.025 10 0 AEAEMO CC[C@@]1(C)C[N@@H+](CC(C)(C)C)CCN1 83061811 573386822 /nfs/dbraw/zinc/38/68/22/573386822.db2.gz GHWHYIAMKCLEQL-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@]1(C)CN(CC(C)(C)C)CC[NH2+]1 83061811 573386823 /nfs/dbraw/zinc/38/68/23/573386823.db2.gz GHWHYIAMKCLEQL-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H]1CN[C@H](C)C[N@H+]1[C@@H](C)C(C)C 83085289 573386845 /nfs/dbraw/zinc/38/68/45/573386845.db2.gz ZQVVXQLOUQBYFF-GRYCIOLGSA-N 1 1 198.354 2.103 10 0 AEAEMO CCC[C@@H]1C[N@H+](C(C)(C)C)[C@H](C)CN1 83087908 573386933 /nfs/dbraw/zinc/38/69/33/573386933.db2.gz NRRJGXOLTXDNAE-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@@H]1CN(C(C)(C)C)[C@H](C)C[NH2+]1 83087908 573386936 /nfs/dbraw/zinc/38/69/36/573386936.db2.gz NRRJGXOLTXDNAE-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H]1CN[C@@H](C)C[N@H+]1CC(C)(C)C 83085618 573387611 /nfs/dbraw/zinc/38/76/11/573387611.db2.gz DAICRZQOMGWASV-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@H](C(C)C)NC[C@@H]1C 83085116 573387054 /nfs/dbraw/zinc/38/70/54/573387054.db2.gz JQRBELOIGXPTQS-SDDRHHMPSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H]1C[NH2+][C@@H](C)CN1CC(C)(C)C 83085618 573387616 /nfs/dbraw/zinc/38/76/16/573387616.db2.gz DAICRZQOMGWASV-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO C/C=C\CC[N@@H+]1C[C@H](C)NC[C@H]1CC 308373918 573387161 /nfs/dbraw/zinc/38/71/61/573387161.db2.gz IEAWHBNXNRDOGS-XEGQIGPUSA-N 1 1 196.338 2.025 10 0 AEAEMO C/C=C\CCN1C[C@H](C)[NH2+]C[C@H]1CC 308373918 573387165 /nfs/dbraw/zinc/38/71/65/573387165.db2.gz IEAWHBNXNRDOGS-XEGQIGPUSA-N 1 1 196.338 2.025 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC(C)(C)NC[C@@H]1C 83088148 573387228 /nfs/dbraw/zinc/38/72/28/573387228.db2.gz NEGGHWKNDGLGGB-QWRGUYRKSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(N)(CC)C[NH2+]C[C@H](C)C1CC1 133208801 573387248 /nfs/dbraw/zinc/38/72/48/573387248.db2.gz FQNYADUZJVLBQD-JTQLQIEISA-N 1 1 198.354 2.140 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1C[C@H](C)NC[C@H]1C 83085347 573387280 /nfs/dbraw/zinc/38/72/80/573387280.db2.gz QKAMIOBAHIYJLC-SDDRHHMPSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H](C)[C@@H](C)[N@H+]1CCNC(C)(C)C1 83061973 573387442 /nfs/dbraw/zinc/38/74/42/573387442.db2.gz FBLXDJMNWXILKJ-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@H]1CNCC[N@H+]1C1(C)CCCCC1 83087090 573387457 /nfs/dbraw/zinc/38/74/57/573387457.db2.gz IVUFSWJGYKUBMZ-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@@H](C(C)C)[N@H+]1CCNC(C)(C)C1 83062213 573387529 /nfs/dbraw/zinc/38/75/29/573387529.db2.gz XKTZCWIHCIYVTK-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CN[C@@H](C)C[N@H+]1C1CCCC1 83085182 573387541 /nfs/dbraw/zinc/38/75/41/573387541.db2.gz SJLVTJGRBFFQGV-QWRGUYRKSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@H]1CN[C@H](C)C[N@@H+]1C1(C)CCCC1 83086394 573387794 /nfs/dbraw/zinc/38/77/94/573387794.db2.gz KDMUTSRQMCCZPF-MNOVXSKESA-N 1 1 196.338 2.001 10 0 AEAEMO CCC(C)(C)[N@H+]1CCNC[C@@H]1C(C)C 83086498 573387864 /nfs/dbraw/zinc/38/78/64/573387864.db2.gz RBRXENQQVZRZFD-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[C@@H]1C[N@H+](C(C)(C)C)[C@H](C)CN1 83085010 573387904 /nfs/dbraw/zinc/38/79/04/573387904.db2.gz WKUUVHGQCMDONR-MNOVXSKESA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)[C@@H]1CN(C(C)(C)C)[C@H](C)C[NH2+]1 83085010 573387909 /nfs/dbraw/zinc/38/79/09/573387909.db2.gz WKUUVHGQCMDONR-MNOVXSKESA-N 1 1 198.354 2.103 10 0 AEAEMO C[C@H]1C[N@H+](C2(C)CCCC2)[C@H](C)CN1 83086395 573387939 /nfs/dbraw/zinc/38/79/39/573387939.db2.gz KDMUTSRQMCCZPF-WDEREUQCSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H]1C[N@H+](C(C)(C)C)[C@@H](CC)CN1 83087929 573387963 /nfs/dbraw/zinc/38/79/63/573387963.db2.gz YJGPQNRGLWQBDR-QWRGUYRKSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H](C)[C@H](C)[N@H+]1CCNC(C)(C)C1 83061976 573387984 /nfs/dbraw/zinc/38/79/84/573387984.db2.gz FBLXDJMNWXILKJ-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CN[C@@H](C)C[N@H+]1C(C)(C)CC 83085206 573388034 /nfs/dbraw/zinc/38/80/34/573388034.db2.gz ITMUINYIDJDNQD-QWRGUYRKSA-N 1 1 198.354 2.247 10 0 AEAEMO CCCCC[C@@H](C)[N@H+]1CCN[C@H](C)C1 83062036 573388119 /nfs/dbraw/zinc/38/81/19/573388119.db2.gz FUMPEEHFLVHWED-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCC[C@@H](C)N1CC[NH2+][C@H](C)C1 83062036 573388125 /nfs/dbraw/zinc/38/81/25/573388125.db2.gz FUMPEEHFLVHWED-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](C)[C@@H](C)[N@H+]1CCNC(C)(C)C1 83061971 573388150 /nfs/dbraw/zinc/38/81/50/573388150.db2.gz FBLXDJMNWXILKJ-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CC1(C)C[N@@H+](C2(C)CCCC2)CCN1 83084907 573388329 /nfs/dbraw/zinc/38/83/29/573388329.db2.gz YKMCAVJKIHRRDT-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO C[N@H+]1CCC[C@H]1CCC1(O)CCCC1 258012287 573389157 /nfs/dbraw/zinc/38/91/57/573389157.db2.gz MUVBOIZYZMFOAU-NSHDSACASA-N 1 1 197.322 2.166 10 0 AEAEMO CC[C@@H]1CN[C@H](C)C[N@H+]1C1CCCC1 83085179 573389741 /nfs/dbraw/zinc/38/97/41/573389741.db2.gz SJLVTJGRBFFQGV-GHMZBOCLSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@H]1CCC[C@H]([NH2+]CC(C)(C)N)CC1 235580507 573389817 /nfs/dbraw/zinc/38/98/17/573389817.db2.gz FKLUXFZSUCKETE-QWRGUYRKSA-N 1 1 198.354 2.282 10 0 AEAEMO CC[C@@]1(C)C[N@H+](C(C)(C)C)[C@H](C)CN1 83087957 573389830 /nfs/dbraw/zinc/38/98/30/573389830.db2.gz PGRFCYDSIBXIDC-PWSUYJOCSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H]1C[N@H+](C(C)(C)C)[C@H](CC)CN1 83087924 573389930 /nfs/dbraw/zinc/38/99/30/573389930.db2.gz YJGPQNRGLWQBDR-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO C[C@@H]1C[N@H+](C2(C)CCCCC2)CCN1 83063411 573389939 /nfs/dbraw/zinc/38/99/39/573389939.db2.gz BKCMVURATAPYDI-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H]1CN[C@H](CC)C[N@@H+]1C(C)(C)C 83087925 573389945 /nfs/dbraw/zinc/38/99/45/573389945.db2.gz YJGPQNRGLWQBDR-MNOVXSKESA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H]1CNC(C)(C)C[N@H+]1C(C)(C)C 83087947 573390790 /nfs/dbraw/zinc/39/07/90/573390790.db2.gz WARRYKIFVWEFPJ-SNVBAGLBSA-N 1 1 198.354 2.247 10 0 AEAEMO CC(C)[C@@H]1C[N@H+](C(C)(C)C)[C@@H](C)CN1 83085011 573390813 /nfs/dbraw/zinc/39/08/13/573390813.db2.gz WKUUVHGQCMDONR-QWRGUYRKSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)[C@@H]1CN(C(C)(C)C)[C@@H](C)C[NH2+]1 83085011 573390818 /nfs/dbraw/zinc/39/08/18/573390818.db2.gz WKUUVHGQCMDONR-QWRGUYRKSA-N 1 1 198.354 2.103 10 0 AEAEMO CCC1(CC)C[N@H+](C2CCC2)CCN1 83084142 573390884 /nfs/dbraw/zinc/39/08/84/573390884.db2.gz SPEJHWXBGZQETM-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO CCC1(CC)CN(C2CCC2)CC[NH2+]1 83084142 573390889 /nfs/dbraw/zinc/39/08/89/573390889.db2.gz SPEJHWXBGZQETM-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO Cc1c[nH+]c(OCCC(C)C)cc1N 133341108 573390905 /nfs/dbraw/zinc/39/09/05/573390905.db2.gz VGZKYCVAJKNLPK-UHFFFAOYSA-N 1 1 194.278 2.397 10 0 AEAEMO C[N@H+]1CCC[C@@H]1CCC1(O)CCCC1 258012286 573391015 /nfs/dbraw/zinc/39/10/15/573391015.db2.gz MUVBOIZYZMFOAU-LLVKDONJSA-N 1 1 197.322 2.166 10 0 AEAEMO C[C@H]1C[N@H+](C2(C)CCCC2)[C@@H](C)CN1 83086396 573391144 /nfs/dbraw/zinc/39/11/44/573391144.db2.gz KDMUTSRQMCCZPF-QWRGUYRKSA-N 1 1 196.338 2.001 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1C[C@H](C)NC[C@@H]1C 83085348 573391264 /nfs/dbraw/zinc/39/12/64/573391264.db2.gz QKAMIOBAHIYJLC-SRVKXCTJSA-N 1 1 198.354 2.103 10 0 AEAEMO CCC[C@](C)(N)C[NH2+]C[C@@H](C)C1CC1 133253888 573391353 /nfs/dbraw/zinc/39/13/53/573391353.db2.gz OEXPSPVCCLXANM-PWSUYJOCSA-N 1 1 198.354 2.140 10 0 AEAEMO CC[C@H]1C[N@H+](C2(C)CCCC2)CCN1 83084906 573391433 /nfs/dbraw/zinc/39/14/33/573391433.db2.gz HMKVROWKIRRQQA-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@]1(C)C[N@@H+](CC(C)(C)C)CCN1 83061809 573391442 /nfs/dbraw/zinc/39/14/42/573391442.db2.gz GHWHYIAMKCLEQL-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@]1(C)CN(CC(C)(C)C)CC[NH2+]1 83061809 573391449 /nfs/dbraw/zinc/39/14/49/573391449.db2.gz GHWHYIAMKCLEQL-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@](C)(N)C[NH2+]C[C@H](C)C1CC1 133254509 573391623 /nfs/dbraw/zinc/39/16/23/573391623.db2.gz OEXPSPVCCLXANM-CMPLNLGQSA-N 1 1 198.354 2.140 10 0 AEAEMO CCC[C@H]1C[N@H+](C(C)(C)C)[C@H](C)CN1 83087910 573391764 /nfs/dbraw/zinc/39/17/64/573391764.db2.gz NRRJGXOLTXDNAE-MNOVXSKESA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@H]1CN(C(C)(C)C)[C@H](C)C[NH2+]1 83087910 573391768 /nfs/dbraw/zinc/39/17/68/573391768.db2.gz NRRJGXOLTXDNAE-MNOVXSKESA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H]1CNC(C)(C)C[N@H+]1C(C)(C)C 83087949 573391984 /nfs/dbraw/zinc/39/19/84/573391984.db2.gz WARRYKIFVWEFPJ-JTQLQIEISA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H]1CNC(C)(C)C[N@H+]1C1CCC1 83090200 573392958 /nfs/dbraw/zinc/39/29/58/573392958.db2.gz MMNRAFUQDOURJS-SNVBAGLBSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@H]1C[N@H+]([C@@H](C)C(C)C)CCCN1 83091856 573393112 /nfs/dbraw/zinc/39/31/12/573393112.db2.gz GQYUFZGGKOQXOU-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H]1CNC(C)(C)C[N@H+]1CC(C)(C)C 83089611 573393176 /nfs/dbraw/zinc/39/31/76/573393176.db2.gz YYRSHLWASQSSRT-SNVBAGLBSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H]1C[NH2+]C(C)(C)CN1CC(C)(C)C 83089611 573393178 /nfs/dbraw/zinc/39/31/78/573393178.db2.gz YYRSHLWASQSSRT-SNVBAGLBSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CCCN[C@@H](C)C1 83091979 573393359 /nfs/dbraw/zinc/39/33/59/573393359.db2.gz RMOASKODOWFXOT-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[C@]1(O)CCC[N@@H+](CC)CC1 86388341 573394210 /nfs/dbraw/zinc/39/42/10/573394210.db2.gz RFROGFQWZSDRNC-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H]1C[N@H+]([C@@H](C)C(C)C)CCCN1 83091857 573394298 /nfs/dbraw/zinc/39/42/98/573394298.db2.gz GQYUFZGGKOQXOU-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1C[N@H+](C(C)(C)CC)CCCN1 83091647 573394368 /nfs/dbraw/zinc/39/43/68/573394368.db2.gz ADKNZYQOWYRADU-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@]1(C)C[N@H+](C(C)(C)C)CCCN1 83091256 573394394 /nfs/dbraw/zinc/39/43/94/573394394.db2.gz NAAKMDAHBYHTQE-LBPRGKRZSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CC(C)(C)NC[C@H]1C 83088921 573394436 /nfs/dbraw/zinc/39/44/36/573394436.db2.gz YDJYBKNJUZIEDH-MNOVXSKESA-N 1 1 198.354 2.103 10 0 AEAEMO CCC1(CC)C[N@H+](C2CC2)[C@H](C)CN1 83088397 573394471 /nfs/dbraw/zinc/39/44/71/573394471.db2.gz ICKGOFMMZFXBSL-SNVBAGLBSA-N 1 1 196.338 2.001 10 0 AEAEMO CCC1(CC)C[N@@H+](C2CC2)[C@H](C)CN1 83088397 573394476 /nfs/dbraw/zinc/39/44/76/573394476.db2.gz ICKGOFMMZFXBSL-SNVBAGLBSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H]1CN[C@H](CC)C[N@H+]1C1CCC1 83090178 573394525 /nfs/dbraw/zinc/39/45/25/573394525.db2.gz PFOHBNNQGZRGER-MNOVXSKESA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H]1C[NH2+][C@H](CC)CN1C1CCC1 83090178 573394529 /nfs/dbraw/zinc/39/45/29/573394529.db2.gz PFOHBNNQGZRGER-MNOVXSKESA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H]1C[N@@H+](C2CCC2)[C@@H](CC)CN1 83090180 573394719 /nfs/dbraw/zinc/39/47/19/573394719.db2.gz PFOHBNNQGZRGER-QWRGUYRKSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H]1CN(C2CCC2)[C@@H](CC)C[NH2+]1 83090180 573394725 /nfs/dbraw/zinc/39/47/25/573394725.db2.gz PFOHBNNQGZRGER-QWRGUYRKSA-N 1 1 196.338 2.001 10 0 AEAEMO CC(C)[C@@H]1C[N@H+](C(C)(C)C)CCCN1 83091276 573395056 /nfs/dbraw/zinc/39/50/56/573395056.db2.gz NTMZQMOJAXMDBD-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[C@@H]1CN(C(C)(C)C)CCC[NH2+]1 83091276 573395059 /nfs/dbraw/zinc/39/50/59/573395059.db2.gz NTMZQMOJAXMDBD-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(CC)[N@H+]1C[C@@H](CC)NC[C@H]1C 83088582 573395127 /nfs/dbraw/zinc/39/51/27/573395127.db2.gz LSBALMBQQOFTIT-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H]1C[N@@H+](CC(C)(C)C)CCCN1 83092482 573395735 /nfs/dbraw/zinc/39/57/35/573395735.db2.gz HIZXCAWUNKCXGZ-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H]1CN(CC(C)(C)C)CCC[NH2+]1 83092482 573395742 /nfs/dbraw/zinc/39/57/42/573395742.db2.gz HIZXCAWUNKCXGZ-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[NH+](CC)[C@@H](C)CNCC=C(C)C 308571667 573401076 /nfs/dbraw/zinc/40/10/76/573401076.db2.gz CCEAFTJPGAOCNV-LBPRGKRZSA-N 1 1 198.354 2.273 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@@H](CC)NCC1(C)C 86394611 573400988 /nfs/dbraw/zinc/40/09/88/573400988.db2.gz IFKUKCCHXLWHLA-WDEREUQCSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H](C)[N@H+]1CC(C)(C)NCC[C@@H]1C 86394711 573400956 /nfs/dbraw/zinc/40/09/56/573400956.db2.gz CQPDYTAJQKPHPP-MNOVXSKESA-N 1 1 198.354 2.247 10 0 AEAEMO CC(C)[N@H+]1Cc2ccc(C=O)cc2C1 107174498 573400385 /nfs/dbraw/zinc/40/03/85/573400385.db2.gz IMZIAPJXCBXLSF-UHFFFAOYSA-N 1 1 189.258 2.223 10 0 AEAEMO [NH3+]CC(=O)c1ccccc1C1CCC1 107174504 573400539 /nfs/dbraw/zinc/40/05/39/573400539.db2.gz BTNLDBJIONNING-UHFFFAOYSA-N 1 1 189.258 2.096 10 0 AEAEMO CC[NH+](CC)[C@H](C)CNCC=C(C)C 308571665 573401799 /nfs/dbraw/zinc/40/17/99/573401799.db2.gz CCEAFTJPGAOCNV-GFCCVEGCSA-N 1 1 198.354 2.273 10 0 AEAEMO CC[N@@H+](C(C)C)[C@]1(CN)C[C@@H](C)[C@H]1C 308572991 573401980 /nfs/dbraw/zinc/40/19/80/573401980.db2.gz LIRIXSSIQGLXDL-UTUOFQBUSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@H](C)[N@H+]1CCNCC12CCCC2 86394457 573402075 /nfs/dbraw/zinc/40/20/75/573402075.db2.gz IVUPXAMTSHZBPW-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H]1C[N@H+]([C@@H](C)CC)C(C)(C)CN1 86394613 573402299 /nfs/dbraw/zinc/40/22/99/573402299.db2.gz IFKUKCCHXLWHLA-QWRGUYRKSA-N 1 1 198.354 2.247 10 0 AEAEMO CC(C)[C@@H](C)[N@H+]1CCCNC(C)(C)C1 83104990 573402308 /nfs/dbraw/zinc/40/23/08/573402308.db2.gz IIRSDQAVDGCEIQ-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@]1(C)CN(C2CCC2)CCC[NH2+]1 83106103 573402421 /nfs/dbraw/zinc/40/24/21/573402421.db2.gz FKLOZDYKYOPYTQ-GFCCVEGCSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@]1(C)C[N@H+](C2CCC2)CCCN1 83106103 573402414 /nfs/dbraw/zinc/40/24/14/573402414.db2.gz FKLOZDYKYOPYTQ-GFCCVEGCSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H](C)[N@H+]1CC(C)(C)NCC[C@@H]1C 86394712 573402566 /nfs/dbraw/zinc/40/25/66/573402566.db2.gz CQPDYTAJQKPHPP-QWRGUYRKSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@]1(C)C[N@H+](C2CCC2)CCCN1 83106106 573404640 /nfs/dbraw/zinc/40/46/40/573404640.db2.gz FKLOZDYKYOPYTQ-LBPRGKRZSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@@]1(C)CN(C2CCC2)CCC[NH2+]1 83106106 573404644 /nfs/dbraw/zinc/40/46/44/573404644.db2.gz FKLOZDYKYOPYTQ-LBPRGKRZSA-N 1 1 196.338 2.003 10 0 AEAEMO CCCCCC[N@H+]1CC[C@@H](N)C1(C)C 308576705 573408109 /nfs/dbraw/zinc/40/81/09/573408109.db2.gz NCAYUTWXAWYINY-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CC/C=C/CC[N@@H+](C)[C@@H](C)COC 308386019 573410979 /nfs/dbraw/zinc/41/09/79/573410979.db2.gz XBZUMXZYJNTOJR-MLRMMBSGSA-N 1 1 185.311 2.309 10 0 AEAEMO CC(C)C[C@@H](C)[N@H+]1CCC[C@H]1CCO 308578501 573411015 /nfs/dbraw/zinc/41/10/15/573411015.db2.gz IOPQWQUTERBKPD-NEPJUHHUSA-N 1 1 199.338 2.268 10 0 AEAEMO C[NH+](C)[C@@H](C(C)(C)C)C1(CN)CCC1 259443014 573411460 /nfs/dbraw/zinc/41/14/60/573411460.db2.gz IWXYOFGSGUBNCD-JTQLQIEISA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)(C)C(C)(C)NC[C@H]1CCC[NH2+]1 308577014 573411775 /nfs/dbraw/zinc/41/17/75/573411775.db2.gz NCIHAWPIIQNXIG-SNVBAGLBSA-N 1 1 198.354 2.153 10 0 AEAEMO CC/C=C\CC[N@@H+](C)[C@H](C)COC 308386017 573413326 /nfs/dbraw/zinc/41/33/26/573413326.db2.gz XBZUMXZYJNTOJR-JMEBYUIHSA-N 1 1 185.311 2.309 10 0 AEAEMO CC(C)C[C@@H](C)[N@H+]1CCC[C@@H]1CCO 308578505 573413557 /nfs/dbraw/zinc/41/35/57/573413557.db2.gz IOPQWQUTERBKPD-VXGBXAGGSA-N 1 1 199.338 2.268 10 0 AEAEMO Cc1cccc([C@@H]([NH3+])C(F)F)c1 83119937 573413640 /nfs/dbraw/zinc/41/36/40/573413640.db2.gz ISFMMPNVXLWLEL-MRVPVSSYSA-N 1 1 171.190 2.260 10 0 AEAEMO CC[C@@H](C)[N@@H+](CCN)CC1(C)CCC1 308578171 573413885 /nfs/dbraw/zinc/41/38/85/573413885.db2.gz NQDWUOFKKPPYEI-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC(CC)C[N@H+]1CC[C@@H](N)C1(C)C 308577338 573413895 /nfs/dbraw/zinc/41/38/95/573413895.db2.gz NIBJWUSNBZVQHF-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CC[N@H+]([C@@H](C)[C@H](C)OC)C1 308387747 573414612 /nfs/dbraw/zinc/41/46/12/573414612.db2.gz XYIKMHKKLFDCKR-GARJFASQSA-N 1 1 185.311 2.142 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CC[C@H](O)C1(C)C 308579216 573415470 /nfs/dbraw/zinc/41/54/70/573415470.db2.gz OFKRWCBQYUZVLO-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CC[C@@H](O)C1(C)C 308579213 573415792 /nfs/dbraw/zinc/41/57/92/573415792.db2.gz OFKRWCBQYUZVLO-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)CC[N@H+]1CCC[C@@H](O)C1(C)C 258646601 573416039 /nfs/dbraw/zinc/41/60/39/573416039.db2.gz DDSPIMCXLWPSBR-LLVKDONJSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@@H](O)C1(C)C 308579220 573416081 /nfs/dbraw/zinc/41/60/81/573416081.db2.gz OFKRWCBQYUZVLO-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](C)C[N@@H+](CCCO)C(C)C 50428286 573422635 /nfs/dbraw/zinc/42/26/35/573422635.db2.gz USJUJQNHZDXPSP-NSHDSACASA-N 1 1 187.327 2.125 10 0 AEAEMO Cc1ccccc1[C@H]([NH3+])C(F)F 83137765 573425506 /nfs/dbraw/zinc/42/55/06/573425506.db2.gz XCKSMICXPVPDTI-QMMMGPOBSA-N 1 1 171.190 2.260 10 0 AEAEMO CCOC1CC([N@@H+](C)[C@H](C)CC)C1 308389314 573425612 /nfs/dbraw/zinc/42/56/12/573425612.db2.gz YUNBETIHVCKVIX-KPPDAEKUSA-N 1 1 185.311 2.284 10 0 AEAEMO CCOC1CC([N@@H+](C)[C@@H](C)CC)C1 308389315 573425915 /nfs/dbraw/zinc/42/59/15/573425915.db2.gz YUNBETIHVCKVIX-WHXUTIOJSA-N 1 1 185.311 2.284 10 0 AEAEMO CC(C)CC[N@H+]1CCCC(=O)C1(C)C 258650304 573428955 /nfs/dbraw/zinc/42/89/55/573428955.db2.gz DKRGZCFVBUNVGG-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CCCC[N@@H+](CC)[C@@H]1CCO[C@@H]1C 308389393 573428124 /nfs/dbraw/zinc/42/81/24/573428124.db2.gz YXISSHZNUOGLNQ-GHMZBOCLSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@@H](CO)CCC1(C)C 259446515 573428677 /nfs/dbraw/zinc/42/86/77/573428677.db2.gz OWUGCRJNATUZQF-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H]1CC[N@@H+](CC(C)(C)CO)C1 133734724 573433419 /nfs/dbraw/zinc/43/34/19/573433419.db2.gz TWDUQMAUHRHNBY-NSHDSACASA-N 1 1 199.338 2.127 10 0 AEAEMO CC(C)=CC[N@H+]1CC[C@H](C)C[C@@H]1CN 235595654 573437473 /nfs/dbraw/zinc/43/74/73/573437473.db2.gz UMQRUALSDHYELB-NWDGAFQWSA-N 1 1 196.338 2.012 10 0 AEAEMO CCCC(C)(C)[N@H+]1CC[C@@H](C[NH2+]C)C1 126260856 573437475 /nfs/dbraw/zinc/43/74/75/573437475.db2.gz XNRIAZOAHVBSGF-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)=CC[N@@H+]1CC[C@H](C)C[C@@H]1CN 235595654 573437476 /nfs/dbraw/zinc/43/74/76/573437476.db2.gz UMQRUALSDHYELB-NWDGAFQWSA-N 1 1 196.338 2.012 10 0 AEAEMO [NH3+]Cc1nc2oc3ccccc3c2o1 107232801 573437994 /nfs/dbraw/zinc/43/79/94/573437994.db2.gz GZRKKOQRWGEPJG-UHFFFAOYSA-N 1 1 188.186 2.033 10 0 AEAEMO CCC[N@@H+](CCN(C)C)[C@@H](C)CC 308390099 573443873 /nfs/dbraw/zinc/44/38/73/573443873.db2.gz ZCPPHPWTTZWGQL-NSHDSACASA-N 1 1 186.343 2.059 10 0 AEAEMO C[C@@H]1C[NH2+][C@@](C)(c2ccccc2F)O1 258658018 573444130 /nfs/dbraw/zinc/44/41/30/573444130.db2.gz SKXSBRNJFBXYCP-LDYMZIIASA-N 1 1 195.237 2.007 10 0 AEAEMO CN(C)C(C)(C)[C@H]([NH3+])CC1(C)CCC1 308589316 573449031 /nfs/dbraw/zinc/44/90/31/573449031.db2.gz ULLHDMFBMSJYHI-SNVBAGLBSA-N 1 1 198.354 2.234 10 0 AEAEMO C[NH+](C)C(C)(C)[C@H](N)CC1(C)CCC1 308589316 573449033 /nfs/dbraw/zinc/44/90/33/573449033.db2.gz ULLHDMFBMSJYHI-SNVBAGLBSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[N@H+]1C[C@H](O)CCC1(C)C 258657715 573447115 /nfs/dbraw/zinc/44/71/15/573447115.db2.gz DUQQHHSSYUJSSN-SNVBAGLBSA-N 1 1 185.311 2.022 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@@H]1CCC[C@@]1(C)O 308587481 573447228 /nfs/dbraw/zinc/44/72/28/573447228.db2.gz MYNGIAOCWITNDC-VXGBXAGGSA-N 1 1 199.338 2.268 10 0 AEAEMO CN(C)C(C)(C)[C@@H]([NH3+])CC1(C)CCC1 308589315 573447487 /nfs/dbraw/zinc/44/74/87/573447487.db2.gz ULLHDMFBMSJYHI-JTQLQIEISA-N 1 1 198.354 2.234 10 0 AEAEMO C[NH+](C)C(C)(C)[C@@H](N)CC1(C)CCC1 308589315 573447490 /nfs/dbraw/zinc/44/74/90/573447490.db2.gz ULLHDMFBMSJYHI-JTQLQIEISA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@H]1CCC[C@@]1(C)O 308589467 573447670 /nfs/dbraw/zinc/44/76/70/573447670.db2.gz NXAOWKMYNDEYGO-SDDRHHMPSA-N 1 1 199.338 2.410 10 0 AEAEMO CCCC1CCN([C@H](CC)C[NH3+])CC1 50893173 573448006 /nfs/dbraw/zinc/44/80/06/573448006.db2.gz ZCILVMOWAUHDFG-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@H]1C[NH2+][C@](C)(c2ccccc2F)O1 258658015 573448245 /nfs/dbraw/zinc/44/82/45/573448245.db2.gz SKXSBRNJFBXYCP-KWQFWETISA-N 1 1 195.237 2.007 10 0 AEAEMO CCC1(C[N@@H+](C)CC[C@@H](C)O)CCC1 308588856 573448246 /nfs/dbraw/zinc/44/82/46/573448246.db2.gz UFMNBWIQEBPCRF-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO C[C@H]1C[NH2+][C@@](C)(c2ccccc2F)O1 258658006 573448440 /nfs/dbraw/zinc/44/84/40/573448440.db2.gz SKXSBRNJFBXYCP-GZMMTYOYSA-N 1 1 195.237 2.007 10 0 AEAEMO CC1(C)C[C@H](CCO)CC[N@H+]1C1CC1 259452108 573448652 /nfs/dbraw/zinc/44/86/52/573448652.db2.gz PIZFFPOWSUIMAD-JTQLQIEISA-N 1 1 197.322 2.022 10 0 AEAEMO CCn1c(COC(C)C)c[nH+]c1C 258351900 573448979 /nfs/dbraw/zinc/44/89/79/573448979.db2.gz YNZUCHZGLDHMMD-UHFFFAOYSA-N 1 1 182.267 2.136 10 0 AEAEMO CCCCC[N@H+]1C[C@H](CO)CC1(C)C 259452124 573449137 /nfs/dbraw/zinc/44/91/37/573449137.db2.gz PJLFYSHWGSCFHB-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@H]1CCC[C@@]1(C)O 308587475 573449804 /nfs/dbraw/zinc/44/98/04/573449804.db2.gz MYNGIAOCWITNDC-NWDGAFQWSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCC1CCN([C@@H](CC)C[NH3+])CC1 50893172 573450044 /nfs/dbraw/zinc/45/00/44/573450044.db2.gz ZCILVMOWAUHDFG-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@H]1CCC[C@]1(C)O 308589468 573450107 /nfs/dbraw/zinc/45/01/07/573450107.db2.gz NXAOWKMYNDEYGO-SRVKXCTJSA-N 1 1 199.338 2.410 10 0 AEAEMO CC1(C)C[C@@H](CCO)CC[N@H+]1C1CC1 259452110 573450305 /nfs/dbraw/zinc/45/03/05/573450305.db2.gz PIZFFPOWSUIMAD-SNVBAGLBSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@]1(C)O 308589469 573450795 /nfs/dbraw/zinc/45/07/95/573450795.db2.gz NXAOWKMYNDEYGO-TUAOUCFPSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1C1(CN)CCC1 86474946 573450825 /nfs/dbraw/zinc/45/08/25/573450825.db2.gz PVLUDUVMYJZHAV-LLVKDONJSA-N 1 1 196.338 2.132 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@@H]1CCC[C@]1(C)O 308587471 573450965 /nfs/dbraw/zinc/45/09/65/573450965.db2.gz MYNGIAOCWITNDC-NEPJUHHUSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@@]1(C)O 308589466 573451358 /nfs/dbraw/zinc/45/13/58/573451358.db2.gz NXAOWKMYNDEYGO-QJPTWQEYSA-N 1 1 199.338 2.410 10 0 AEAEMO CCCCC[N@H+]1C[C@@H](CO)CC1(C)C 259452125 573452268 /nfs/dbraw/zinc/45/22/68/573452268.db2.gz PJLFYSHWGSCFHB-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CCC1(C[N@@H+](C)CC[C@H](C)O)CCC1 308588857 573452348 /nfs/dbraw/zinc/45/23/48/573452348.db2.gz UFMNBWIQEBPCRF-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1C1(CN)CCC1 86475210 573452374 /nfs/dbraw/zinc/45/23/74/573452374.db2.gz SUPAGEHQLRJKEB-NSHDSACASA-N 1 1 196.338 2.132 10 0 AEAEMO O=C1C[NH2+]CC[C@@H]1C1CCCCCC1 257817196 573452537 /nfs/dbraw/zinc/45/25/37/573452537.db2.gz DQQJRPBNMRWDBI-LLVKDONJSA-N 1 1 195.306 2.135 10 0 AEAEMO CC(C)(C)[C@H](N)[C@@H]([NH3+])c1ccccc1 83261796 573452553 /nfs/dbraw/zinc/45/25/53/573452553.db2.gz CWOBHRRVNKFADD-WDEREUQCSA-N 1 1 192.306 2.060 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1C1(CN)CCC1 86475209 573452806 /nfs/dbraw/zinc/45/28/06/573452806.db2.gz SUPAGEHQLRJKEB-LLVKDONJSA-N 1 1 196.338 2.132 10 0 AEAEMO C[N@@H+](C1CCCCC1)C1(CN)CCC1 86474916 573453143 /nfs/dbraw/zinc/45/31/43/573453143.db2.gz MZOVOLCHOZHRAP-UHFFFAOYSA-N 1 1 196.338 2.132 10 0 AEAEMO CCCCC[N@H+]1CCC[C@@H](N)C1(C)C 259455421 573455872 /nfs/dbraw/zinc/45/58/72/573455872.db2.gz PSIBCOCXEHLIEZ-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCCN1CCC[C@@H]([NH3+])C1(C)C 259455421 573455877 /nfs/dbraw/zinc/45/58/77/573455877.db2.gz PSIBCOCXEHLIEZ-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CCN1CCC[C@@H]1[C@@]1(C)CCCC[NH2+]1 258362512 573456071 /nfs/dbraw/zinc/45/60/71/573456071.db2.gz ZKMYIFGMJJBMIV-VXGBXAGGSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@H]([NH3+])c1[nH]ncc1C1CCCCC1 257814101 573456468 /nfs/dbraw/zinc/45/64/68/573456468.db2.gz ALPYZHQQPZFUED-QMMMGPOBSA-N 1 1 193.294 2.477 10 0 AEAEMO CSC(=[NH2+])c1c(C)cccc1O 238401878 573458134 /nfs/dbraw/zinc/45/81/34/573458134.db2.gz SMVMSAMVPWIBBB-UHFFFAOYSA-N 1 1 181.260 2.389 10 0 AEAEMO CCCc1[nH+]cc2c(OC)cccn12 258381636 573459619 /nfs/dbraw/zinc/45/96/19/573459619.db2.gz TWHIXIFCARBQGZ-UHFFFAOYSA-N 1 1 190.246 2.295 10 0 AEAEMO Cc1ccc([C@]2(C)[NH2+]C[C@@H](C)CO2)o1 258385743 573460463 /nfs/dbraw/zinc/46/04/63/573460463.db2.gz HMOUJGXJQQZIFX-LDYMZIIASA-N 1 1 195.262 2.017 10 0 AEAEMO CC(C)C[N@H+]1CCC[C@@H](CO)C1(C)C 259457392 573460467 /nfs/dbraw/zinc/46/04/67/573460467.db2.gz PVKQYQBWJQEBGO-NSHDSACASA-N 1 1 199.338 2.125 10 0 AEAEMO CC[N@H+]1CCC[C@H]1[C@@H]1CCCCC1=O 86498325 573461707 /nfs/dbraw/zinc/46/17/07/573461707.db2.gz CQDDACHUDCKUBL-QWRGUYRKSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC[C@H](CNC)[N@H+]1C[C@H](C)C[C@@H]1C 158277499 573462146 /nfs/dbraw/zinc/46/21/46/573462146.db2.gz BWRCDCGVWCQAPP-GRYCIOLGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C[NH2+]C)N1C[C@H](C)C[C@@H]1C 158277499 573462153 /nfs/dbraw/zinc/46/21/53/573462153.db2.gz BWRCDCGVWCQAPP-GRYCIOLGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@@H+](C)[C@@]1(CN)CC[C@@H](C)C[C@@H]1C 222111222 573462397 /nfs/dbraw/zinc/46/23/97/573462397.db2.gz FXCPJZVOBAWCNF-GRYCIOLGSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCCC[N@H+]1CC[C@@H](O)CC1(C)C 259459307 573462678 /nfs/dbraw/zinc/46/26/78/573462678.db2.gz PYBDDHCJHSGWKJ-LLVKDONJSA-N 1 1 199.338 2.412 10 0 AEAEMO CC(=O)C[C@H]1CCC[N@H+]1C1CCCC1 86497577 573462782 /nfs/dbraw/zinc/46/27/82/573462782.db2.gz IWGHKTBRNKLXEK-GFCCVEGCSA-N 1 1 195.306 2.373 10 0 AEAEMO CCCc1noc([C@@H](C)[NH2+]C(C)C)n1 308592034 573463192 /nfs/dbraw/zinc/46/31/92/573463192.db2.gz KTFVESYSNORYHP-MRVPVSSYSA-N 1 1 197.282 2.081 10 0 AEAEMO OCc1ccc2[nH]c3cc[nH+]cc3c2c1 259458851 573463140 /nfs/dbraw/zinc/46/31/40/573463140.db2.gz NFSIFLHFFJHMAN-UHFFFAOYSA-N 1 1 198.225 2.208 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H]1[C@@H]1CCCC1=O 86493923 573463823 /nfs/dbraw/zinc/46/38/23/573463823.db2.gz AVEKWVMKQBDKHP-QWRGUYRKSA-N 1 1 195.306 2.228 10 0 AEAEMO CC(C)[NH2+]C[C@H](C)N1C[C@H](C)C[C@@H]1C 158277661 573463975 /nfs/dbraw/zinc/46/39/75/573463975.db2.gz YCKOMLVJCHCULM-WOPDTQHZSA-N 1 1 198.354 2.103 10 0 AEAEMO Cc1ccc([C@@]2(C)[NH2+]C(C)(C)CO2)o1 258366454 573464143 /nfs/dbraw/zinc/46/41/43/573464143.db2.gz GMUPQPSXNHKJME-NSHDSACASA-N 1 1 195.262 2.159 10 0 AEAEMO CC[C@H](C)c1[nH]cc(C)[nH+]1 139459676 573464352 /nfs/dbraw/zinc/46/43/52/573464352.db2.gz VOVQZEWZJXQFFI-LURJTMIESA-N 1 1 138.214 2.232 10 0 AEAEMO CC[N@@H+](C)[C@@]1(CN)CCC[C@@H](C)[C@@H]1C 222111360 573464607 /nfs/dbraw/zinc/46/46/07/573464607.db2.gz WORRKUGDUPZZRN-GRYCIOLGSA-N 1 1 198.354 2.092 10 0 AEAEMO [NH3+]CC(F)(F)c1ccc(F)c(F)c1 107270864 573464793 /nfs/dbraw/zinc/46/47/93/573464793.db2.gz GFVHXCCAWPWVQI-UHFFFAOYSA-N 1 1 193.143 2.015 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCC[C@@H]1CC(C)=O 86498059 573464794 /nfs/dbraw/zinc/46/47/94/573464794.db2.gz RLTVKCIAALRXQT-CMPLNLGQSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(=O)C[C@H]1CCCC[N@@H+]1C(C)C 86499151 573464821 /nfs/dbraw/zinc/46/48/21/573464821.db2.gz OCXLJJITVJMQFO-LLVKDONJSA-N 1 1 183.295 2.228 10 0 AEAEMO N[C@@H](C[NH2+]C1CCCC1)C1CCCC1 258358203 573465318 /nfs/dbraw/zinc/46/53/18/573465318.db2.gz RJTMPIUNUWJPOO-LBPRGKRZSA-N 1 1 196.338 2.036 10 0 AEAEMO CC(C)Cc1nc(C[NH3+])[nH]c1C(C)C 257815596 573465401 /nfs/dbraw/zinc/46/54/01/573465401.db2.gz DADHCARRMDWELQ-UHFFFAOYSA-N 1 1 195.310 2.190 10 0 AEAEMO CC[C@@H](C)c1[nH]cc(C)[nH+]1 139459548 573465472 /nfs/dbraw/zinc/46/54/72/573465472.db2.gz VOVQZEWZJXQFFI-ZCFIWIBFSA-N 1 1 138.214 2.232 10 0 AEAEMO C[C@H]([NH3+])C(F)(F)c1ccccc1F 107275256 573465676 /nfs/dbraw/zinc/46/56/76/573465676.db2.gz JRZUWNIKMRIMMH-LURJTMIESA-N 1 1 189.180 2.265 10 0 AEAEMO C[C@@H]([NH3+])C(F)(F)c1cccc(F)c1 107275877 573465794 /nfs/dbraw/zinc/46/57/94/573465794.db2.gz DJIWLOHIXDIGIF-ZCFIWIBFSA-N 1 1 189.180 2.265 10 0 AEAEMO C[N@@H+]1C[C@@H](F)C[C@@H]1c1ccc(O)cc1 107278683 573465917 /nfs/dbraw/zinc/46/59/17/573465917.db2.gz PQVCDLCMGXZSDL-GXSJLCMTSA-N 1 1 195.237 2.107 10 0 AEAEMO C[N@H+]1C[C@@H](F)C[C@@H]1c1ccc(O)cc1 107278683 573465921 /nfs/dbraw/zinc/46/59/21/573465921.db2.gz PQVCDLCMGXZSDL-GXSJLCMTSA-N 1 1 195.237 2.107 10 0 AEAEMO CC[N@H+]1CCCCC[C@H]1CC(C)=O 86500669 573466089 /nfs/dbraw/zinc/46/60/89/573466089.db2.gz QEBRNDILLBIRON-NSHDSACASA-N 1 1 183.295 2.230 10 0 AEAEMO FC1(F)CC[NH2+][C@H]1c1ccccc1 107274973 573466281 /nfs/dbraw/zinc/46/62/81/573466281.db2.gz AMLMIKMHUNJHRA-VIFPVBQESA-N 1 1 183.201 2.356 10 0 AEAEMO FC1(F)C[NH2+]CC[C@@H]1C1CCC1 257815898 573466331 /nfs/dbraw/zinc/46/63/31/573466331.db2.gz BMYUOXRMNXDNOF-MRVPVSSYSA-N 1 1 175.222 2.031 10 0 AEAEMO CC(C)[NH2+]C[C@H](C)N1C[C@H](C)C[C@H]1C 158277943 573466366 /nfs/dbraw/zinc/46/63/66/573466366.db2.gz YCKOMLVJCHCULM-UTUOFQBUSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)(C)[C@H]1CC[NH2+]CC1(F)F 107273768 573466456 /nfs/dbraw/zinc/46/64/56/573466456.db2.gz KCPTWRAHQQJXFK-SSDOTTSWSA-N 1 1 177.238 2.277 10 0 AEAEMO CC[N@H+]1CCCCC[C@@H]1CC(C)=O 86500667 573466771 /nfs/dbraw/zinc/46/67/71/573466771.db2.gz QEBRNDILLBIRON-LLVKDONJSA-N 1 1 183.295 2.230 10 0 AEAEMO C[N@@H+]1C[C@H](F)C[C@@H]1c1cccc(O)c1 107279067 573471148 /nfs/dbraw/zinc/47/11/48/573471148.db2.gz PAGNFDYCESOGSI-MWLCHTKSSA-N 1 1 195.237 2.107 10 0 AEAEMO C[N@H+]1C[C@H](F)C[C@@H]1c1cccc(O)c1 107279067 573471154 /nfs/dbraw/zinc/47/11/54/573471154.db2.gz PAGNFDYCESOGSI-MWLCHTKSSA-N 1 1 195.237 2.107 10 0 AEAEMO CCCC1CCN(C(C)(C)C[NH3+])CC1 50893315 573471164 /nfs/dbraw/zinc/47/11/64/573471164.db2.gz KAMKTHUSGRKFLC-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCC[N@@H+](C)[C@@H]1CCC[C@@]1(C)O 308582958 573471410 /nfs/dbraw/zinc/47/14/10/573471410.db2.gz KSUFWOWBUGETRD-VXGBXAGGSA-N 1 1 199.338 2.412 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@@H]1CCC[C@@]1(C)O 308583511 573471421 /nfs/dbraw/zinc/47/14/21/573471421.db2.gz KYVTULLKWZZQSI-QJPTWQEYSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)=CCCC[N@H+]1CCC[C@H]1CO 308584066 573471561 /nfs/dbraw/zinc/47/15/61/573471561.db2.gz LEBNTWXDZZTRMO-LBPRGKRZSA-N 1 1 197.322 2.190 10 0 AEAEMO CC(C)c1[nH+]cc2c(O)cccn12 257820803 573471583 /nfs/dbraw/zinc/47/15/83/573471583.db2.gz FRJAKQZNKVACGJ-UHFFFAOYSA-N 1 1 176.219 2.163 10 0 AEAEMO C[NH2+][C@@H](C)c1c[nH]c(CC2CCC2)n1 308585470 573476257 /nfs/dbraw/zinc/47/62/57/573476257.db2.gz MBUMZCHPNXGDTI-QMMMGPOBSA-N 1 1 193.294 2.033 10 0 AEAEMO CCCCC[N@H+]1C[C@@H](CO)CC[C@@H]1C 688718907 573476350 /nfs/dbraw/zinc/47/63/50/573476350.db2.gz WIXPPUSPHJHNJC-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CCCC[C@@H](C)C[N@H+]1CCNC[C@H]1C 308392600 573476616 /nfs/dbraw/zinc/47/66/16/573476616.db2.gz LEHAIABIMKHLKO-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[C@@H](C)CN1CC[NH2+]C[C@H]1C 308392600 573476625 /nfs/dbraw/zinc/47/66/25/573476625.db2.gz LEHAIABIMKHLKO-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO C1C[C@H]2[C@H](C1)CC[N@@H+]2CCC[C@H]1CO1 393526035 573477634 /nfs/dbraw/zinc/47/76/34/573477634.db2.gz STCJDFFPESMNAW-WOPDTQHZSA-N 1 1 195.306 2.040 10 0 AEAEMO C[NH2+][C@H](C)c1c[nH]c(CC2CCC2)n1 308585468 573476897 /nfs/dbraw/zinc/47/68/97/573476897.db2.gz MBUMZCHPNXGDTI-MRVPVSSYSA-N 1 1 193.294 2.033 10 0 AEAEMO C[C@H]1CC[N@@H+](CC[C@@H]2CCCC2=O)C1 86530247 573476990 /nfs/dbraw/zinc/47/69/90/573476990.db2.gz UDBMNBWFLHCSKQ-QWRGUYRKSA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@H]1CCC[N@H+]1CC[C@@H]1CCCC1=O 86530235 573478421 /nfs/dbraw/zinc/47/84/21/573478421.db2.gz RKXQSZGPDQHISO-QWRGUYRKSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)(C)[N@H+]1C[C@H](O)CCC1(C)C 259468958 573478627 /nfs/dbraw/zinc/47/86/27/573478627.db2.gz QPGKRVKSMNIBOG-SECBINFHSA-N 1 1 185.311 2.020 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@H]1CCC[C@@]1(C)O 308594746 573478780 /nfs/dbraw/zinc/47/87/80/573478780.db2.gz RBOKMJGESXTMGU-VXGBXAGGSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@H]1CCC[C@]1(C)O 308594741 573478952 /nfs/dbraw/zinc/47/89/52/573478952.db2.gz RBOKMJGESXTMGU-RYUDHWBXSA-N 1 1 199.338 2.410 10 0 AEAEMO C[C@@H]1CCC[N@H+]1CC[C@@H]1CCCC1=O 86530233 573480521 /nfs/dbraw/zinc/48/05/21/573480521.db2.gz RKXQSZGPDQHISO-MNOVXSKESA-N 1 1 195.306 2.230 10 0 AEAEMO CCC(CC)[N@H+]1CCC[C@@H]1C[C@H](C)[NH3+] 308596527 573480323 /nfs/dbraw/zinc/48/03/23/573480323.db2.gz SEJRUNRSVYFRFU-CMPLNLGQSA-N 1 1 198.354 2.377 10 0 AEAEMO Cc1cc2nc([C@H](C)[NH3+])[nH]c2cc1F 107288076 573480394 /nfs/dbraw/zinc/48/03/94/573480394.db2.gz IWAOPELOIGVPFB-LURJTMIESA-N 1 1 193.225 2.030 10 0 AEAEMO C[C@@H]1CC[N@@H+](CC[C@@H]2CCCC2=O)C1 86530245 573480444 /nfs/dbraw/zinc/48/04/44/573480444.db2.gz UDBMNBWFLHCSKQ-MNOVXSKESA-N 1 1 195.306 2.088 10 0 AEAEMO OCCCC[N@H+]1CCCC12CCCC2 308595028 573481789 /nfs/dbraw/zinc/48/17/89/573481789.db2.gz YECXELOZRJUZPU-UHFFFAOYSA-N 1 1 197.322 2.168 10 0 AEAEMO CCCC(C)(C)[N@H+]1CCNC[C@@H]1CC 126364888 573482488 /nfs/dbraw/zinc/48/24/88/573482488.db2.gz CBFFHUKLSCHJQJ-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO C[C@H]1CCC[C@H]([NH2+]CC2(N)CC2)CC1 235604977 573482624 /nfs/dbraw/zinc/48/26/24/573482624.db2.gz GKKJTOPPCMPWCJ-QWRGUYRKSA-N 1 1 196.338 2.036 10 0 AEAEMO CCC(C)(C)CN[C@H]1C[NH2+]C(C)(C)C1 258676256 573482905 /nfs/dbraw/zinc/48/29/05/573482905.db2.gz COOGWKYGTRGBPO-SNVBAGLBSA-N 1 1 198.354 2.153 10 0 AEAEMO CCC(C)(C)CN[C@@H]1C[NH2+]C(C)(C)C1 258676251 573483006 /nfs/dbraw/zinc/48/30/06/573483006.db2.gz COOGWKYGTRGBPO-JTQLQIEISA-N 1 1 198.354 2.153 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@H]1CCC[C@]1(C)O 308594733 573483357 /nfs/dbraw/zinc/48/33/57/573483357.db2.gz RBOKMJGESXTMGU-NEPJUHHUSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[N@H+]1CCC[C@@H](CCO)C1(C)C 259470525 573484689 /nfs/dbraw/zinc/48/46/89/573484689.db2.gz QTBATROVKHHBBA-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO Cc1ccc([C@@]2(C)[NH2+]CC(C)(C)O2)o1 258678099 573484737 /nfs/dbraw/zinc/48/47/37/573484737.db2.gz TTZNPASGHNCSCZ-NSHDSACASA-N 1 1 195.262 2.159 10 0 AEAEMO CC[N@@H+](C)Cc1cc(Cl)ccc1N 86549311 573484840 /nfs/dbraw/zinc/48/48/40/573484840.db2.gz KINMCKCZDXMQRZ-UHFFFAOYSA-N 1 1 198.697 2.374 10 0 AEAEMO CC(C)[C@@H](CO)[N@@H+](C)CC1CCCC1 258677721 573484852 /nfs/dbraw/zinc/48/48/52/573484852.db2.gz AQKJISLLATVGLT-GFCCVEGCSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H](CC(F)F)C[N@H+]1CCSC1 688740237 573486842 /nfs/dbraw/zinc/48/68/42/573486842.db2.gz RXCFYZMDTFQOAB-SSDOTTSWSA-N 1 1 195.278 2.284 10 0 AEAEMO C[C@H](CC(F)F)C[N@@H+]1CCSC1 688740237 573486837 /nfs/dbraw/zinc/48/68/37/573486837.db2.gz RXCFYZMDTFQOAB-SSDOTTSWSA-N 1 1 195.278 2.284 10 0 AEAEMO CCC[C@@H]([NH2+]CCCN(C)C)C1CC1 126377079 573488233 /nfs/dbraw/zinc/48/82/33/573488233.db2.gz WHPJECJOZJHVEZ-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)[C@H](C)[NH2+][C@H]1CCCN(C)CC1 83418003 573488494 /nfs/dbraw/zinc/48/84/94/573488494.db2.gz QIDICFLATUOPHB-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H]([NH2+]CCCN(C)C)C1CC1 126376850 573488601 /nfs/dbraw/zinc/48/86/01/573488601.db2.gz WHPJECJOZJHVEZ-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO N[C@@H](C1CCCCC1)[C@H]1CCCC[NH2+]1 259474320 573488786 /nfs/dbraw/zinc/48/87/86/573488786.db2.gz RYNBGUUWWOOGQF-NEPJUHHUSA-N 1 1 196.338 2.036 10 0 AEAEMO CN1CCC[C@@H]([NH2+]C2CCCC2)CC1 83417724 573488983 /nfs/dbraw/zinc/48/89/83/573488983.db2.gz BLDKWLLFGAHZHJ-GFCCVEGCSA-N 1 1 196.338 2.003 10 0 AEAEMO CC(C)[C@@H](C)[NH2+][C@H]1CCCN(C)CC1 83418000 573489127 /nfs/dbraw/zinc/48/91/27/573489127.db2.gz QIDICFLATUOPHB-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC(C)(C)[N@H+]1CCN[C@H](CC)C1 126369247 573489450 /nfs/dbraw/zinc/48/94/50/573489450.db2.gz DQBUGJKVLGYSPI-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO Cc1cccc2nc([C@@H](C)[NH3+])oc12 86556425 573489894 /nfs/dbraw/zinc/48/98/94/573489894.db2.gz IDLGTHFKUZVCLU-SSDOTTSWSA-N 1 1 176.219 2.156 10 0 AEAEMO CN1CCC[C@H]([NH2+]CC(C)(C)C)CC1 83418454 573489905 /nfs/dbraw/zinc/48/99/05/573489905.db2.gz VXPZBWURNNWLQI-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)(C)[N@H+]1CC[C@@H](O)CC1(C)C 259472413 573489915 /nfs/dbraw/zinc/48/99/15/573489915.db2.gz QUZCHWCMVSQHPF-SECBINFHSA-N 1 1 185.311 2.020 10 0 AEAEMO Cc1cccc2nc([C@H](C)[NH3+])oc12 86556426 573490061 /nfs/dbraw/zinc/49/00/61/573490061.db2.gz IDLGTHFKUZVCLU-ZETCQYMHSA-N 1 1 176.219 2.156 10 0 AEAEMO CCCC(C)(C)[N@H+]1CCN[C@@H](CC)C1 126369535 573490215 /nfs/dbraw/zinc/49/02/15/573490215.db2.gz DQBUGJKVLGYSPI-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO Cc1[nH+]c(N)[nH]c1CCC1CCCC1 258692512 573491767 /nfs/dbraw/zinc/49/17/67/573491767.db2.gz GQZZSHWIYPNQPX-UHFFFAOYSA-N 1 1 193.294 2.423 10 0 AEAEMO N[C@@H](C1CCCCC1)[C@@H]1CCCC[NH2+]1 259474322 573491528 /nfs/dbraw/zinc/49/15/28/573491528.db2.gz RYNBGUUWWOOGQF-RYUDHWBXSA-N 1 1 196.338 2.036 10 0 AEAEMO CN1CCC[C@H]([NH2+]C2CCCC2)CC1 83417721 573491880 /nfs/dbraw/zinc/49/18/80/573491880.db2.gz BLDKWLLFGAHZHJ-LBPRGKRZSA-N 1 1 196.338 2.003 10 0 AEAEMO CN1CCC[C@@H]([NH2+]CC(C)(C)C)CC1 83418442 573491967 /nfs/dbraw/zinc/49/19/67/573491967.db2.gz VXPZBWURNNWLQI-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)[C@@H](C)[NH2+][C@@H]1CCCN(C)CC1 83417996 573492071 /nfs/dbraw/zinc/49/20/71/573492071.db2.gz QIDICFLATUOPHB-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CN1CCCC[C@H]1C1([NH3+])CCCCC1 258041654 573492555 /nfs/dbraw/zinc/49/25/55/573492555.db2.gz OLELRCPMNNCOJE-NSHDSACASA-N 1 1 196.338 2.132 10 0 AEAEMO CC(C)CC[N@H+]1C[C@H](O)CCC1(C)C 258695885 573493140 /nfs/dbraw/zinc/49/31/40/573493140.db2.gz GWSFGBXDRHLNNK-LLVKDONJSA-N 1 1 199.338 2.268 10 0 AEAEMO CNCC(C)(C)[NH2+]CCCC(C)C 258687964 573493210 /nfs/dbraw/zinc/49/32/10/573493210.db2.gz BIICBGUENGEKPH-UHFFFAOYSA-N 1 1 186.343 2.010 10 0 AEAEMO C[NH2+]CC(C)(C)NCCCC(C)C 258687964 573493215 /nfs/dbraw/zinc/49/32/15/573493215.db2.gz BIICBGUENGEKPH-UHFFFAOYSA-N 1 1 186.343 2.010 10 0 AEAEMO CC(=O)CCC[N@@H+]1C[C@H]2CCC[C@H]2C1 126384590 573493246 /nfs/dbraw/zinc/49/32/46/573493246.db2.gz CKKDGPVLGNNQAW-TXEJJXNPSA-N 1 1 195.306 2.088 10 0 AEAEMO CC(C)CC[N@H+]1C[C@@H](O)CCC1(C)C 258695889 573493437 /nfs/dbraw/zinc/49/34/37/573493437.db2.gz GWSFGBXDRHLNNK-NSHDSACASA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[C@H](C)[C@@H](CN)[N@H+]1CCC[C@@H]1C 393666390 573496246 /nfs/dbraw/zinc/49/62/46/573496246.db2.gz KFXRPEPVIJMAGW-SDDRHHMPSA-N 1 1 198.354 2.090 10 0 AEAEMO Cc1[nH]cc(CSC(C)C)[nH+]1 258041893 573496575 /nfs/dbraw/zinc/49/65/75/573496575.db2.gz FEFHVLSEVUQESA-UHFFFAOYSA-N 1 1 170.281 2.360 10 0 AEAEMO Cc1[nH]c(CSC(C)C)c[nH+]1 258041893 573496580 /nfs/dbraw/zinc/49/65/80/573496580.db2.gz FEFHVLSEVUQESA-UHFFFAOYSA-N 1 1 170.281 2.360 10 0 AEAEMO CCCn1ccc(C[N@@H+](C)CC)c1 308395776 573496598 /nfs/dbraw/zinc/49/65/98/573496598.db2.gz DBCIKYBXAZJQJQ-UHFFFAOYSA-N 1 1 180.295 2.350 10 0 AEAEMO COC[C@]1(CC(C)C)CCC[N@H+]1C 308393484 573497079 /nfs/dbraw/zinc/49/70/79/573497079.db2.gz CCWOEWMZTZKMHF-LLVKDONJSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[N@@H+](C)[C@]1(CN)CCC[C@H](C)CC1 83428232 573497850 /nfs/dbraw/zinc/49/78/50/573497850.db2.gz LZKNFRUBPNRICX-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO COC[C@@]1(CC(C)C)CCC[N@H+]1C 308393486 573497972 /nfs/dbraw/zinc/49/79/72/573497972.db2.gz CCWOEWMZTZKMHF-NSHDSACASA-N 1 1 185.311 2.143 10 0 AEAEMO CCCC[C@@H]1CC[C@H]2C[C@H](CO)C[N@H+]21 308609414 573498034 /nfs/dbraw/zinc/49/80/34/573498034.db2.gz XRDAUJVEQUXYIO-TUAOUCFPSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[N@H+]1CC[C@H](CCO)CC1(C)C 259474555 573498587 /nfs/dbraw/zinc/49/85/87/573498587.db2.gz QZEDKIOXBNHLKL-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CCCC[N@@H+](C1CC1)C(C)(C)CO 308397921 573499067 /nfs/dbraw/zinc/49/90/67/573499067.db2.gz FOLDVZHKZXJXBT-UHFFFAOYSA-N 1 1 185.311 2.022 10 0 AEAEMO CC(C)(C)[N@H+]1CCC[C@@H](O)C1(C)C 259474682 573499083 /nfs/dbraw/zinc/49/90/83/573499083.db2.gz RBBGCPVPICLBCM-SECBINFHSA-N 1 1 185.311 2.020 10 0 AEAEMO CC(C)(N)C[NH2+]CC(C)(C)C1CCC1 258698514 573499573 /nfs/dbraw/zinc/49/95/73/573499573.db2.gz CACRFPYBTYSOQQ-UHFFFAOYSA-N 1 1 198.354 2.140 10 0 AEAEMO C/C=C\C[N@H+]1C[C@H](C)NC[C@]1(C)CC 308399101 573499454 /nfs/dbraw/zinc/49/94/54/573499454.db2.gz CESKXXRADQNWMI-RAUBUVQISA-N 1 1 196.338 2.025 10 0 AEAEMO C/C=C\C[N@@H+]1C[C@H](C)NC[C@]1(C)CC 308399101 573499458 /nfs/dbraw/zinc/49/94/58/573499458.db2.gz CESKXXRADQNWMI-RAUBUVQISA-N 1 1 196.338 2.025 10 0 AEAEMO CC(C)(C)[N@H+]1CCC[C@H](O)C1(C)C 259474683 573501404 /nfs/dbraw/zinc/50/14/04/573501404.db2.gz RBBGCPVPICLBCM-VIFPVBQESA-N 1 1 185.311 2.020 10 0 AEAEMO CNc1ccc2c(c1)C[N@@H+](C1CC1)C2 259475370 573501523 /nfs/dbraw/zinc/50/15/23/573501523.db2.gz YJOMFZTVEADWDC-UHFFFAOYSA-N 1 1 188.274 2.206 10 0 AEAEMO C[N@@H+](CC(C)(C)C)[C@H]1CCCC(=O)C1 86600437 573503842 /nfs/dbraw/zinc/50/38/42/573503842.db2.gz PZJCQDIZSHNLES-JTQLQIEISA-N 1 1 197.322 2.476 10 0 AEAEMO CC(=O)CCC[C@@H]1CCC[N@H+](C)C1 259109604 573504026 /nfs/dbraw/zinc/50/40/26/573504026.db2.gz KSTTUCIKCVJKBC-LLVKDONJSA-N 1 1 183.295 2.088 10 0 AEAEMO CC[C@H]1CCC[C@](C[NH3+])(N(C)C)CC1 83435987 573504041 /nfs/dbraw/zinc/50/40/41/573504041.db2.gz RWICDQUNEGAPKK-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CO[C@@H](C)CCNc1ccc(C)c[nH+]1 308609549 573504057 /nfs/dbraw/zinc/50/40/57/573504057.db2.gz QGATYVKGGMIJKE-JTQLQIEISA-N 1 1 194.278 2.227 10 0 AEAEMO C[C@H]1CCC[N@H+]([C@@H]2CCCC(=O)C2)C1 86599872 573504206 /nfs/dbraw/zinc/50/42/06/573504206.db2.gz HJLRVDNOEYTHLX-WDEREUQCSA-N 1 1 195.306 2.230 10 0 AEAEMO Cc1cc([C@H]([NH3+])c2ccccc2)on1 107320962 573504217 /nfs/dbraw/zinc/50/42/17/573504217.db2.gz WLWVZYYOXQFPEA-LLVKDONJSA-N 1 1 188.230 2.031 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@@H]1CCCC(=O)C1 86600160 573504318 /nfs/dbraw/zinc/50/43/18/573504318.db2.gz XJIJBYDNIGDPBG-GHMZBOCLSA-N 1 1 195.306 2.373 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)[C@@H]1CCCC(=O)C1 86599986 573504330 /nfs/dbraw/zinc/50/43/30/573504330.db2.gz LOLJNBOVXIQHDD-NXEZZACHSA-N 1 1 183.295 2.228 10 0 AEAEMO CCC[C@H]1CCC[C@]([NH3+])(CN)CC1 83437699 573504334 /nfs/dbraw/zinc/50/43/34/573504334.db2.gz OKCBUPQTOMRLIK-WDEREUQCSA-N 1 1 184.327 2.023 10 0 AEAEMO Cc1cc([C@@H]([NH3+])c2ccccc2)on1 107320964 573504423 /nfs/dbraw/zinc/50/44/23/573504423.db2.gz WLWVZYYOXQFPEA-NSHDSACASA-N 1 1 188.230 2.031 10 0 AEAEMO C/C=C\C[N@H+]1CCNCC1(CC)CC 308400166 573504566 /nfs/dbraw/zinc/50/45/66/573504566.db2.gz INIFAWGMUTXTHP-DAXSKMNVSA-N 1 1 196.338 2.027 10 0 AEAEMO CCC[C@H]1CCC[C@@]([NH3+])(CN)CC1 83437701 573504569 /nfs/dbraw/zinc/50/45/69/573504569.db2.gz OKCBUPQTOMRLIK-QWRGUYRKSA-N 1 1 184.327 2.023 10 0 AEAEMO C/C=C\C[N@@H+]1CCNCC1(CC)CC 308400166 573504575 /nfs/dbraw/zinc/50/45/75/573504575.db2.gz INIFAWGMUTXTHP-DAXSKMNVSA-N 1 1 196.338 2.027 10 0 AEAEMO CC[C@@H]1CC[N@H+]1CCCCCCO 308399539 573504588 /nfs/dbraw/zinc/50/45/88/573504588.db2.gz HKKXDESEQUOZMZ-LLVKDONJSA-N 1 1 185.311 2.023 10 0 AEAEMO CC(C)C[N@@H+](C)[C@@H]1CCCC(=O)C1 86599977 573504768 /nfs/dbraw/zinc/50/47/68/573504768.db2.gz CCEAZLUGRRRPGD-SNVBAGLBSA-N 1 1 183.295 2.086 10 0 AEAEMO C[N@@H+](CC(C)(C)C)[C@@H]1CCCC(=O)C1 86600435 573505927 /nfs/dbraw/zinc/50/59/27/573505927.db2.gz PZJCQDIZSHNLES-SNVBAGLBSA-N 1 1 197.322 2.476 10 0 AEAEMO C[C@H]1CCCC[N@H+]1[C@@H]1CCCC(=O)C1 86599855 573505689 /nfs/dbraw/zinc/50/56/89/573505689.db2.gz HEKYYVPVFUCOBC-WDEREUQCSA-N 1 1 195.306 2.373 10 0 AEAEMO CC[C@H]1CCC[C@@](C[NH3+])(N(C)C)CC1 83435985 573505879 /nfs/dbraw/zinc/50/58/79/573505879.db2.gz RWICDQUNEGAPKK-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)[C@@H]1CCCC(=O)C1 86600040 573506376 /nfs/dbraw/zinc/50/63/76/573506376.db2.gz JRAOBMIXWKZDEX-WDEREUQCSA-N 1 1 197.322 2.474 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@H]1CCCC(=O)C1 86599989 573507042 /nfs/dbraw/zinc/50/70/42/573507042.db2.gz LOLJNBOVXIQHDD-VHSXEESVSA-N 1 1 183.295 2.228 10 0 AEAEMO CC[C@@H]1CCC[C@](C[NH3+])(N(C)C)CC1 83435986 573507473 /nfs/dbraw/zinc/50/74/73/573507473.db2.gz RWICDQUNEGAPKK-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CCOC1CC([N@@H+](CC)C2CC2)C1 308400284 573507871 /nfs/dbraw/zinc/50/78/71/573507871.db2.gz GRYWXWDRQDEUMZ-UHFFFAOYSA-N 1 1 183.295 2.038 10 0 AEAEMO Oc1ccc([C@@]23CCC[N@@H+]2CC3)cc1 258048526 573507852 /nfs/dbraw/zinc/50/78/52/573507852.db2.gz RCHMPUNATDHJNU-LBPRGKRZSA-N 1 1 189.258 2.087 10 0 AEAEMO CC(C)CC[C@]1(CO)CCC[N@@H+](C)C1 258719792 573511212 /nfs/dbraw/zinc/51/12/12/573511212.db2.gz IHPLAYZXJYZAMD-GFCCVEGCSA-N 1 1 199.338 2.127 10 0 AEAEMO CC(C)C[N@@H+](C)[C@H]1CCCC(=O)C1 86599978 573509491 /nfs/dbraw/zinc/50/94/91/573509491.db2.gz CCEAZLUGRRRPGD-JTQLQIEISA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)(C)[C@@H]1CCC[C@]([NH3+])(CN)CC1 83438620 573509616 /nfs/dbraw/zinc/50/96/16/573509616.db2.gz HVHMBQVQBADHEP-ZYHUDNBSSA-N 1 1 198.354 2.269 10 0 AEAEMO C[N@@H+](C1CCCC1)[C@H]1CCC[C@H](O)C1 86601864 573509817 /nfs/dbraw/zinc/50/98/17/573509817.db2.gz FUYPRWXEMLBULU-RYUDHWBXSA-N 1 1 197.322 2.164 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@H]1CCC[C@H](O)C1 86602626 573509858 /nfs/dbraw/zinc/50/98/58/573509858.db2.gz IGJDPSXXDCMRKB-QWRGUYRKSA-N 1 1 199.338 2.410 10 0 AEAEMO C[C@@H]1C[C@H]1C[N@@H+](C)[C@@H]1CCCC(=O)C1 86601385 573509925 /nfs/dbraw/zinc/50/99/25/573509925.db2.gz YXQZIMINMMQYBF-OUAUKWLOSA-N 1 1 195.306 2.086 10 0 AEAEMO CC1(C)CCC[N@H+]1[C@@H]1CCCC(=O)C1 86601246 573510000 /nfs/dbraw/zinc/51/00/00/573510000.db2.gz AOYLBSKQQLHVSZ-SNVBAGLBSA-N 1 1 195.306 2.373 10 0 AEAEMO C[C@@H]1C[N@@H+]([C@@H]2CCCC(=O)C2)C[C@@H]1C 86601524 573510027 /nfs/dbraw/zinc/51/00/27/573510027.db2.gz QGULLRLSPPHPLQ-OUAUKWLOSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@@H](O)C[N@@H+](C)CCCC(C)C 308397167 573510527 /nfs/dbraw/zinc/51/05/27/573510527.db2.gz DYZSMXQUJOOECO-LLVKDONJSA-N 1 1 187.327 2.125 10 0 AEAEMO CC(C)[C@@H](CO)[N@@H+](C)CCC1CCC1 258728709 573510625 /nfs/dbraw/zinc/51/06/25/573510625.db2.gz DZBSYSDGIKTPKC-GFCCVEGCSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H]([NH2+]CC=C1CCC1)c1ccon1 308602700 573510802 /nfs/dbraw/zinc/51/08/02/573510802.db2.gz BDBJBKHFLOXIPU-VIFPVBQESA-N 1 1 192.262 2.436 10 0 AEAEMO C[N@@H+](CC1CCC1)[C@@H]1CCC[C@H](O)C1 86602402 573510904 /nfs/dbraw/zinc/51/09/04/573510904.db2.gz MDOMFMPWNYTUOP-NEPJUHHUSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@H](O)C1 86601831 573511184 /nfs/dbraw/zinc/51/11/84/573511184.db2.gz NPYAXNSMYBMNTO-AXFHLTTASA-N 1 1 185.311 2.020 10 0 AEAEMO C[C@@H]([NH2+]CC=C1CCC1)c1ccon1 308602690 573511278 /nfs/dbraw/zinc/51/12/78/573511278.db2.gz BDBJBKHFLOXIPU-SECBINFHSA-N 1 1 192.262 2.436 10 0 AEAEMO C[N@@H+](CC1CCC1)[C@H]1CCCC(=O)C1 86601174 573511377 /nfs/dbraw/zinc/51/13/77/573511377.db2.gz RXRYAWKGYDLFAT-NSHDSACASA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)CC[C@@]1(CO)CCC[N@@H+](C)C1 258719794 573511435 /nfs/dbraw/zinc/51/14/35/573511435.db2.gz IHPLAYZXJYZAMD-LBPRGKRZSA-N 1 1 199.338 2.127 10 0 AEAEMO CCc1[nH+]c2ccc(NC)cc2n1C 258720790 573511574 /nfs/dbraw/zinc/51/15/74/573511574.db2.gz XVJNEPZSIWXSIW-UHFFFAOYSA-N 1 1 189.262 2.177 10 0 AEAEMO CC[N@@H+](C(C)C)[C@@H]1CCC[C@H](O)C1 86601858 573511576 /nfs/dbraw/zinc/51/15/76/573511576.db2.gz WFQBKAKHJCABGH-MNOVXSKESA-N 1 1 185.311 2.020 10 0 AEAEMO CN(C)CCC[NH2+]CCC1CCCC1 78526294 573511689 /nfs/dbraw/zinc/51/16/89/573511689.db2.gz LFTQLFGFLDFIKG-UHFFFAOYSA-N 1 1 198.354 2.108 10 0 AEAEMO Cc1[nH+]cn([C@H]2CCCC(=O)C2)c1C 86602759 573511798 /nfs/dbraw/zinc/51/17/98/573511798.db2.gz FAUAMQQQNIWKDZ-JTQLQIEISA-N 1 1 192.262 2.184 10 0 AEAEMO C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@H](O)C2)C1 86601739 573511827 /nfs/dbraw/zinc/51/18/27/573511827.db2.gz DYBIPASHFSDJBR-UTUOFQBUSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@@H+](CC(C)(C)C)[C@H]1CCC[C@H](O)C1 86602290 573512889 /nfs/dbraw/zinc/51/28/89/573512889.db2.gz RZOHQXDKRLKKNR-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO CCc1[nH+]ccn1[C@H]1CCCC(=O)C1 86601697 573512918 /nfs/dbraw/zinc/51/29/18/573512918.db2.gz CRIIGNJLNRSLTN-VIFPVBQESA-N 1 1 192.262 2.130 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@H](O)C1 86601620 573513149 /nfs/dbraw/zinc/51/31/49/573513149.db2.gz SPFYBNMHBPKSJZ-UTUOFQBUSA-N 1 1 197.322 2.164 10 0 AEAEMO Cc1nc([C@@H](C)CC[NH3+])[nH]c1C(C)C 258500238 573513748 /nfs/dbraw/zinc/51/37/48/573513748.db2.gz DRVZOYHYKBJYNQ-QMMMGPOBSA-N 1 1 195.310 2.294 10 0 AEAEMO C[N@@H+](CC1CCC1)[C@@H]1CCCC(=O)C1 86601172 573513383 /nfs/dbraw/zinc/51/33/83/573513383.db2.gz RXRYAWKGYDLFAT-LLVKDONJSA-N 1 1 195.306 2.230 10 0 AEAEMO Cc1nc([C@H](C)CC[NH3+])[nH]c1C(C)C 258500235 573513681 /nfs/dbraw/zinc/51/36/81/573513681.db2.gz DRVZOYHYKBJYNQ-MRVPVSSYSA-N 1 1 195.310 2.294 10 0 AEAEMO C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CCCC(=O)C1 86601380 573515545 /nfs/dbraw/zinc/51/55/45/573515545.db2.gz YXQZIMINMMQYBF-GMTAPVOTSA-N 1 1 195.306 2.086 10 0 AEAEMO C[N@@H+](CC(C)(C)C)[C@@H]1CCC[C@H](O)C1 86602288 573514917 /nfs/dbraw/zinc/51/49/17/573514917.db2.gz RZOHQXDKRLKKNR-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[C@H](CO)[N@@H+](C)CCC1CCC1 258728711 573515002 /nfs/dbraw/zinc/51/50/02/573515002.db2.gz DZBSYSDGIKTPKC-LBPRGKRZSA-N 1 1 199.338 2.125 10 0 AEAEMO C=CC1=C[N@H+]2CCC[C@@H]2CC1 224235619 573515027 /nfs/dbraw/zinc/51/50/27/573515027.db2.gz DTDAYMYFXIADJX-SNVBAGLBSA-N 1 1 149.237 2.315 10 0 AEAEMO C[N@@H+](CC1CCC1)[C@H]1CCC[C@H](O)C1 86602405 573515039 /nfs/dbraw/zinc/51/50/39/573515039.db2.gz MDOMFMPWNYTUOP-RYUDHWBXSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[N@@H+](CCN)C[C@@H]1CCC[C@@H]1C 308605320 573515046 /nfs/dbraw/zinc/51/50/46/573515046.db2.gz GWPZIIKJXUBWAH-RYUDHWBXSA-N 1 1 198.354 2.093 10 0 AEAEMO CC1(C)CCC[N@H+]1[C@@H]1CCC[C@H](O)C1 86602527 573515423 /nfs/dbraw/zinc/51/54/23/573515423.db2.gz DUKHXNCYDBTTKZ-MNOVXSKESA-N 1 1 197.322 2.164 10 0 AEAEMO CC[N@@H+](C(C)C)[C@H]1CCC[C@H](O)C1 86601860 573515479 /nfs/dbraw/zinc/51/54/79/573515479.db2.gz WFQBKAKHJCABGH-QWRGUYRKSA-N 1 1 185.311 2.020 10 0 AEAEMO CC1=C([C@H](C)O)CC[C@@H]2CCCC[N@H+]12 238423048 573515691 /nfs/dbraw/zinc/51/56/91/573515691.db2.gz SGXOXOWWEFTEGZ-QWRGUYRKSA-N 1 1 195.306 2.290 10 0 AEAEMO C[N@H+](C1CCCCC1)[C@H]1CCC(=O)C1 86617826 573516288 /nfs/dbraw/zinc/51/62/88/573516288.db2.gz NXUNAHGPZGOJGF-NSHDSACASA-N 1 1 195.306 2.373 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)[C@@H]1CCC(=O)C1 86617878 573516465 /nfs/dbraw/zinc/51/64/65/573516465.db2.gz IKYRPFWQWNBOTP-NXEZZACHSA-N 1 1 183.295 2.084 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@H]1CCC(=O)C1 86617881 573516740 /nfs/dbraw/zinc/51/67/40/573516740.db2.gz RKPWDDHQPAFAHB-JTQLQIEISA-N 1 1 183.295 2.228 10 0 AEAEMO CC(C)C[N@H+]1CC(=O)CCC1(C)C 258734000 573516769 /nfs/dbraw/zinc/51/67/69/573516769.db2.gz JCBXYQSXVJTVCN-UHFFFAOYSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC(CC)C[N@H+]1CCC(=O)C[C@@H]1C 130388308 573516827 /nfs/dbraw/zinc/51/68/27/573516827.db2.gz LMAXSDHQXZJFNW-JTQLQIEISA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(=[NH2+])NC(C)(C)CN(CC)CC 308605676 573516831 /nfs/dbraw/zinc/51/68/31/573516831.db2.gz IYRYKIGEKQXMMP-UHFFFAOYSA-N 1 1 199.342 2.084 10 0 AEAEMO C[C@@H]1CC[C@@H](C)[N@H+]([C@@H]2CCC(=O)C2)C1 86618614 573517009 /nfs/dbraw/zinc/51/70/09/573517009.db2.gz PDHLKKWJDUXGIG-GMTAPVOTSA-N 1 1 195.306 2.228 10 0 AEAEMO CCC(CC)C[N@H+]1CCC(=O)C[C@H]1C 130388518 573517077 /nfs/dbraw/zinc/51/70/77/573517077.db2.gz LMAXSDHQXZJFNW-SNVBAGLBSA-N 1 1 197.322 2.476 10 0 AEAEMO C[C@H]([NH2+]CCC(C)(F)F)C(F)F 393640134 573517118 /nfs/dbraw/zinc/51/71/18/573517118.db2.gz UGIUDGMVPULFQD-YFKPBYRVSA-N 1 1 187.180 2.275 10 0 AEAEMO CCC[N@@H+](CCN)C[C@H]1CCC[C@@H]1C 308605310 573517147 /nfs/dbraw/zinc/51/71/47/573517147.db2.gz GWPZIIKJXUBWAH-NWDGAFQWSA-N 1 1 198.354 2.093 10 0 AEAEMO CCCc1[nH+]ccn1[C@H]1CCC(=O)C1 86619252 573517255 /nfs/dbraw/zinc/51/72/55/573517255.db2.gz FXHODIFESLVTRG-VIFPVBQESA-N 1 1 192.262 2.130 10 0 AEAEMO CCC[N@@H+](CCN)C[C@H]1CCC[C@H]1C 308605327 573517282 /nfs/dbraw/zinc/51/72/82/573517282.db2.gz GWPZIIKJXUBWAH-VXGBXAGGSA-N 1 1 198.354 2.093 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1[C@@H]1CCC(=O)C1 86618572 573517399 /nfs/dbraw/zinc/51/73/99/573517399.db2.gz XNRYFMVRFMYCMY-GHMZBOCLSA-N 1 1 195.306 2.373 10 0 AEAEMO CC1(C)CCC[N@H+]([C@H]2CCC(=O)C2)C1 86618564 573517568 /nfs/dbraw/zinc/51/75/68/573517568.db2.gz YHYDDQRUJAAFGF-JTQLQIEISA-N 1 1 195.306 2.230 10 0 AEAEMO CC[N@@H+](C1CCCC1)[C@H]1CCC(=O)C1 86617869 573517584 /nfs/dbraw/zinc/51/75/84/573517584.db2.gz DIDPEFYQYGBWAT-NSHDSACASA-N 1 1 195.306 2.373 10 0 AEAEMO C[N@@H+](CCC1CC1)C[C@@H]1CCCC1=O 308604245 573517665 /nfs/dbraw/zinc/51/76/65/573517665.db2.gz BJIJXJSFTHWHDU-NSHDSACASA-N 1 1 195.306 2.088 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1[C@@H]1CCC(=O)C1 86617842 573517763 /nfs/dbraw/zinc/51/77/63/573517763.db2.gz GLGJLEZZYYOCND-GHMZBOCLSA-N 1 1 195.306 2.373 10 0 AEAEMO C[C@@H]([N@@H+](C)[C@@H]1CCC(=O)C1)C(C)(C)C 86618015 573517946 /nfs/dbraw/zinc/51/79/46/573517946.db2.gz YJHIIVJWJAKKCE-NXEZZACHSA-N 1 1 197.322 2.474 10 0 AEAEMO CC1(C)CCC[N@H+]([C@@H]2CCC(=O)C2)C1 86618563 573518025 /nfs/dbraw/zinc/51/80/25/573518025.db2.gz YHYDDQRUJAAFGF-SNVBAGLBSA-N 1 1 195.306 2.230 10 0 AEAEMO C[N@@H+](CCC1CC1)C[C@H]1CCCC1=O 308604244 573518116 /nfs/dbraw/zinc/51/81/16/573518116.db2.gz BJIJXJSFTHWHDU-LLVKDONJSA-N 1 1 195.306 2.088 10 0 AEAEMO C[N@H+](C1CCCCC1)[C@@H]1CCC(=O)C1 86617825 573518458 /nfs/dbraw/zinc/51/84/58/573518458.db2.gz NXUNAHGPZGOJGF-LLVKDONJSA-N 1 1 195.306 2.373 10 0 AEAEMO CC[C@@H]1CCC[N@H+]([C@@H]2CCC(=O)C2)C1 86617886 573519947 /nfs/dbraw/zinc/51/99/47/573519947.db2.gz LJSCXNTWCIOTAP-GHMZBOCLSA-N 1 1 195.306 2.230 10 0 AEAEMO CCCC(C)(C)[N@@H+]1CCC[C@@H](NC)C1 126356204 573520124 /nfs/dbraw/zinc/52/01/24/573520124.db2.gz RNGIVBCVJCTYSI-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC(C)(C)[N@H+]1CCC[C@@H](NC)C1 126356204 573520129 /nfs/dbraw/zinc/52/01/29/573520129.db2.gz RNGIVBCVJCTYSI-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1[C@@H]1CCC(=O)C1 86617843 573520137 /nfs/dbraw/zinc/52/01/37/573520137.db2.gz GLGJLEZZYYOCND-WDEREUQCSA-N 1 1 195.306 2.373 10 0 AEAEMO C[N@@H+](CC1CCCC1)[C@H]1CCC(=O)C1 86618531 573520379 /nfs/dbraw/zinc/52/03/79/573520379.db2.gz JZCMFHWAQTXWSW-NSHDSACASA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@H]1C[C@@H](C)C[N@H+]([C@@H]2CCC(=O)C2)C1 86617791 573520550 /nfs/dbraw/zinc/52/05/50/573520550.db2.gz XPRJEQKLPCONES-OUAUKWLOSA-N 1 1 195.306 2.086 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@H]1CCC(=O)C1 86618558 573520661 /nfs/dbraw/zinc/52/06/61/573520661.db2.gz HMIIIXMYPOSGAJ-VIFPVBQESA-N 1 1 183.295 2.228 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)[C@@H]1CCC(=O)C1 86617879 573520774 /nfs/dbraw/zinc/52/07/74/573520774.db2.gz IKYRPFWQWNBOTP-VHSXEESVSA-N 1 1 183.295 2.084 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@@H]1CCC(=O)C1 86618557 573520828 /nfs/dbraw/zinc/52/08/28/573520828.db2.gz HMIIIXMYPOSGAJ-SECBINFHSA-N 1 1 183.295 2.228 10 0 AEAEMO CCCc1[nH+]ccn1[C@@H]1CCC(=O)C1 86619251 573521023 /nfs/dbraw/zinc/52/10/23/573521023.db2.gz FXHODIFESLVTRG-SECBINFHSA-N 1 1 192.262 2.130 10 0 AEAEMO Cc1[nH]ncc1[C@H]([NH3+])CC1CCCC1 74247551 573521184 /nfs/dbraw/zinc/52/11/84/573521184.db2.gz UCJAUGQNCBTHKW-LLVKDONJSA-N 1 1 193.294 2.298 10 0 AEAEMO CCCC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1C 50565878 573522273 /nfs/dbraw/zinc/52/22/73/573522273.db2.gz DTRIRYIKWTZQHA-MNOVXSKESA-N 1 1 197.322 2.476 10 0 AEAEMO CC1=C([C@@H](C)O)CC[C@@H]2CCCC[N@H+]12 238425475 573523173 /nfs/dbraw/zinc/52/31/73/573523173.db2.gz SGXOXOWWEFTEGZ-MNOVXSKESA-N 1 1 195.306 2.290 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@@H]1CC[C@H](O)C1 86620879 573526005 /nfs/dbraw/zinc/52/60/05/573526005.db2.gz AQICOGDXEWVDLT-ZJUUUORDSA-N 1 1 185.311 2.020 10 0 AEAEMO CC1(C)CCC[N@H+]([C@@H]2CC[C@H](O)C2)C1 86620889 573524478 /nfs/dbraw/zinc/52/44/78/573524478.db2.gz OWERPJNZOYBJMO-MNOVXSKESA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H](O)C1 86620983 573524701 /nfs/dbraw/zinc/52/47/01/573524701.db2.gz XVCXPDANYBTBPQ-WOPDTQHZSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@@H]1SC(=[NH2+])Nc2ccccc21 238425840 573524890 /nfs/dbraw/zinc/52/48/90/573524890.db2.gz OBJKBAIJJMUPHZ-LURJTMIESA-N 1 1 178.260 2.441 10 0 AEAEMO C[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](O)C2)CC1 86620851 573524920 /nfs/dbraw/zinc/52/49/20/573524920.db2.gz KJODJOQQNFJWEB-UTUOFQBUSA-N 1 1 197.322 2.022 10 0 AEAEMO C[NH2+][C@@H](CCN(C)C)CC1(C)CCC1 308607299 573525140 /nfs/dbraw/zinc/52/51/40/573525140.db2.gz JEGHFCQFEJAOBU-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO C[N@@H+](CC1CCCC1)[C@@H]1CC[C@H](O)C1 86620853 573525159 /nfs/dbraw/zinc/52/51/59/573525159.db2.gz WUKXVPVLJLJRJK-NEPJUHHUSA-N 1 1 197.322 2.022 10 0 AEAEMO Cc1[nH]ncc1[C@@H]([NH3+])CC1CCCC1 74247552 573525205 /nfs/dbraw/zinc/52/52/05/573525205.db2.gz UCJAUGQNCBTHKW-NSHDSACASA-N 1 1 193.294 2.298 10 0 AEAEMO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](O)C2)[C@H](C)C1 86620751 573525467 /nfs/dbraw/zinc/52/54/67/573525467.db2.gz OCTQEWVWKGDSQV-KKOKHZNYSA-N 1 1 197.322 2.020 10 0 AEAEMO CC1=C([C@@H](C)O)CC[C@H]2CCCC[N@H+]12 238425460 573525721 /nfs/dbraw/zinc/52/57/21/573525721.db2.gz SGXOXOWWEFTEGZ-GHMZBOCLSA-N 1 1 195.306 2.290 10 0 AEAEMO CCCC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1C 50565877 573525727 /nfs/dbraw/zinc/52/57/27/573525727.db2.gz DTRIRYIKWTZQHA-QWRGUYRKSA-N 1 1 197.322 2.476 10 0 AEAEMO CN[C@H]1C[N@H+](CCC(C)C)C(C)(C)C1 259486792 573525779 /nfs/dbraw/zinc/52/57/79/573525779.db2.gz RRWDFGSTDQHGSH-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CN[C@H]1C[N@@H+](CCC(C)C)C(C)(C)C1 259486792 573525784 /nfs/dbraw/zinc/52/57/84/573525784.db2.gz RRWDFGSTDQHGSH-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@H]1CCC[N@@H+]([C@@H]2CCCC2=O)[C@@H]1C 50565950 573525868 /nfs/dbraw/zinc/52/58/68/573525868.db2.gz YNDGSYFMSIWREO-HBNTYKKESA-N 1 1 195.306 2.228 10 0 AEAEMO CNCC(C)(C)[N@H+](C)C1CCCCC1 258747933 573526065 /nfs/dbraw/zinc/52/60/65/573526065.db2.gz GEAXTUWLLBBFTP-UHFFFAOYSA-N 1 1 198.354 2.249 10 0 AEAEMO CNCC(C)(C)[N@@H+](C)C1CCCCC1 258747933 573526069 /nfs/dbraw/zinc/52/60/69/573526069.db2.gz GEAXTUWLLBBFTP-UHFFFAOYSA-N 1 1 198.354 2.249 10 0 AEAEMO CN[C@@H]1C[N@H+](CCC(C)C)C(C)(C)C1 259486798 573526214 /nfs/dbraw/zinc/52/62/14/573526214.db2.gz RRWDFGSTDQHGSH-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CN[C@@H]1C[N@@H+](CCC(C)C)C(C)(C)C1 259486798 573526221 /nfs/dbraw/zinc/52/62/21/573526221.db2.gz RRWDFGSTDQHGSH-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)(C)[N@H+]1C[C@@H](CO)CCC1(C)C 259491691 573527572 /nfs/dbraw/zinc/52/75/72/573527572.db2.gz SEWAJRIQCUXPAE-JTQLQIEISA-N 1 1 199.338 2.268 10 0 AEAEMO C[N@@H+](CC1CCCC1)[C@H]1CC[C@H](O)C1 86620854 573527716 /nfs/dbraw/zinc/52/77/16/573527716.db2.gz WUKXVPVLJLJRJK-RYUDHWBXSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@H+](C1CCCCC1)[C@@H]1CC[C@H](O)C1 86620260 573527764 /nfs/dbraw/zinc/52/77/64/573527764.db2.gz AYCKIRMVYNPCHR-NEPJUHHUSA-N 1 1 197.322 2.164 10 0 AEAEMO C[NH2+]CC(F)(F)C[C@H]1CCCS1 257829712 573527811 /nfs/dbraw/zinc/52/78/11/573527811.db2.gz IUGIKHUJNUDUKI-SSDOTTSWSA-N 1 1 195.278 2.127 10 0 AEAEMO CC(C)c1[nH+]ccn1[C@H]1CC[C@H](O)C1 86621092 573527890 /nfs/dbraw/zinc/52/78/90/573527890.db2.gz GRYLSZLTQCPJPH-UWVGGRQHSA-N 1 1 194.278 2.092 10 0 AEAEMO CCCSCC(=[NH2+])OCC 83487862 573528022 /nfs/dbraw/zinc/52/80/22/573528022.db2.gz NWNGBAKJRRUIKY-UHFFFAOYSA-N 1 1 161.270 2.143 10 0 AEAEMO CC(C)[N@H+]1C[C@@H](CCO)CCC1(C)C 259491565 573528038 /nfs/dbraw/zinc/52/80/38/573528038.db2.gz SDCLYAJPGPNPDZ-LLVKDONJSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)(C)[N@H+]1C[C@H](CO)CCC1(C)C 259491694 573528197 /nfs/dbraw/zinc/52/81/97/573528197.db2.gz SEWAJRIQCUXPAE-SNVBAGLBSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[N@H+]1C[C@H](CCO)CCC1(C)C 259491566 573528233 /nfs/dbraw/zinc/52/82/33/573528233.db2.gz SDCLYAJPGPNPDZ-NSHDSACASA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)c1[nH+]ccn1[C@@H]1CC[C@H](O)C1 86621091 573528332 /nfs/dbraw/zinc/52/83/32/573528332.db2.gz GRYLSZLTQCPJPH-ZJUUUORDSA-N 1 1 194.278 2.092 10 0 AEAEMO C[C@H]1C[N@H+](C2CCCC2)CCCCN1 259491639 573528386 /nfs/dbraw/zinc/52/83/86/573528386.db2.gz SEHONAQIMXUSTH-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO C[NH2+]CC(F)(F)C[C@@H]1CCCS1 257829713 573528592 /nfs/dbraw/zinc/52/85/92/573528592.db2.gz IUGIKHUJNUDUKI-ZETCQYMHSA-N 1 1 195.278 2.127 10 0 AEAEMO CC[N@@H+](C1CCCC1)[C@@H]1CC[C@H](O)C1 86620395 573528636 /nfs/dbraw/zinc/52/86/36/573528636.db2.gz JXQQZJJVGHPEQL-NEPJUHHUSA-N 1 1 197.322 2.164 10 0 AEAEMO CC(C)c1[nH+]ccn1[C@H]1CC[C@@H](O)C1 86621094 573528753 /nfs/dbraw/zinc/52/87/53/573528753.db2.gz GRYLSZLTQCPJPH-VHSXEESVSA-N 1 1 194.278 2.092 10 0 AEAEMO CC(C)[N@H+]1CC[C@H](C/C=C\CCO)C1 258051751 573528909 /nfs/dbraw/zinc/52/89/09/573528909.db2.gz DECPGEWUOKQVCE-MVZIDQBPSA-N 1 1 197.322 2.045 10 0 AEAEMO C[C@@H]1C[N@H+](C2CCCC2)CCCCN1 259491636 573528923 /nfs/dbraw/zinc/52/89/23/573528923.db2.gz SEHONAQIMXUSTH-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC1(C)C[C@H](NC2CCCCC2)C[NH2+]1 258760033 573529123 /nfs/dbraw/zinc/52/91/23/573529123.db2.gz PAGWLRDFXHXIBU-NSHDSACASA-N 1 1 196.338 2.049 10 0 AEAEMO Nc1[nH+]ccc2c1[nH]c1ccc(O)cc12 258058523 573530057 /nfs/dbraw/zinc/53/00/57/573530057.db2.gz KNRSDRZEFONUMI-UHFFFAOYSA-N 1 1 199.213 2.004 10 0 AEAEMO CCC[C@@H]1CCCC[N@H+]1[C@@H](CC)CN 213018142 573530081 /nfs/dbraw/zinc/53/00/81/573530081.db2.gz VPOHQFOQLOLWFW-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@@H](N)C[NH2+]CC(CC)CC 130422490 573531152 /nfs/dbraw/zinc/53/11/52/573531152.db2.gz XIKJYDHRVXVUNA-LLVKDONJSA-N 1 1 186.343 2.140 10 0 AEAEMO CC1(C)CC[N@@H+](C(C)(C)C)CCC[NH2+]1 259490327 573531307 /nfs/dbraw/zinc/53/13/07/573531307.db2.gz SAXRQTSVHOEMDD-UHFFFAOYSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](C)SCC(=[NH2+])OC 83499861 573531764 /nfs/dbraw/zinc/53/17/64/573531764.db2.gz KFRFZQNNELZHFE-ZCFIWIBFSA-N 1 1 161.270 2.142 10 0 AEAEMO CC1(C)C[C@@H](NC2CCCCC2)C[NH2+]1 258760028 573532740 /nfs/dbraw/zinc/53/27/40/573532740.db2.gz PAGWLRDFXHXIBU-LLVKDONJSA-N 1 1 196.338 2.049 10 0 AEAEMO Cc1nc(C(C)(C)[NH3+])[nH]c1C(C)C 258758284 573532762 /nfs/dbraw/zinc/53/27/62/573532762.db2.gz RWIRDEWFRZNCBA-UHFFFAOYSA-N 1 1 181.283 2.035 10 0 AEAEMO CNc1[nH]cc(-c2ccccc2F)[nH+]1 259104185 573534128 /nfs/dbraw/zinc/53/41/28/573534128.db2.gz OLJRORZFYMIORV-UHFFFAOYSA-N 1 1 191.209 2.258 10 0 AEAEMO COC(=[NH2+])CSC(C)(C)C 83490940 573534295 /nfs/dbraw/zinc/53/42/95/573534295.db2.gz DNVKHNRMDRTUJW-UHFFFAOYSA-N 1 1 161.270 2.142 10 0 AEAEMO CC(=O)Cc1nc(CC(C)C)c(C)[nH]1 258758886 573534707 /nfs/dbraw/zinc/53/47/07/573534707.db2.gz SDHCIMOXVVKQPV-UHFFFAOYSA-N 1 1 194.278 2.048 10 0 AEAEMO CCC[C@H]1CCCC[N@H+]1[C@@H](CC)CN 213018205 573534712 /nfs/dbraw/zinc/53/47/12/573534712.db2.gz VPOHQFOQLOLWFW-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC(CC)C[NH2+]C[C@@](C)(N)CC 130412853 573534814 /nfs/dbraw/zinc/53/48/14/573534814.db2.gz YUWSXIZHTQIKRU-NSHDSACASA-N 1 1 186.343 2.140 10 0 AEAEMO CCOC(=[NH2+])CSC(C)C 83489613 573536035 /nfs/dbraw/zinc/53/60/35/573536035.db2.gz GMUHQUWWJIVECY-UHFFFAOYSA-N 1 1 161.270 2.142 10 0 AEAEMO C/C=C/C[N@@H+](CCC)CC(C)(C)CN 86640321 573539805 /nfs/dbraw/zinc/53/98/05/573539805.db2.gz LGVQNEWNPLTQIH-FNORWQNLSA-N 1 1 198.354 2.259 10 0 AEAEMO C/C=C/C[N@H+](CCC)CC(C)(C)CN 86640321 573539811 /nfs/dbraw/zinc/53/98/11/573539811.db2.gz LGVQNEWNPLTQIH-FNORWQNLSA-N 1 1 198.354 2.259 10 0 AEAEMO C/C=C/CN(CCC)CC(C)(C)C[NH3+] 86640321 573539814 /nfs/dbraw/zinc/53/98/14/573539814.db2.gz LGVQNEWNPLTQIH-FNORWQNLSA-N 1 1 198.354 2.259 10 0 AEAEMO Cc1cccc(C(F)(F)[C@H]2CC[NH2+]2)c1 257824304 573538991 /nfs/dbraw/zinc/53/89/91/573538991.db2.gz GRXGFIZQUWPCLA-SNVBAGLBSA-N 1 1 197.228 2.449 10 0 AEAEMO CCC[N@@H+](CCN)C[C@@H]1CC=CCC1 308617990 573539343 /nfs/dbraw/zinc/53/93/43/573539343.db2.gz RZEQXRRXRYGSOU-GFCCVEGCSA-N 1 1 196.338 2.013 10 0 AEAEMO CC(C)C[N@@H+](C)[C@H]1CC[NH2+]C(C)(C)C1 258768218 573539785 /nfs/dbraw/zinc/53/97/85/573539785.db2.gz JVCZLPMKHWMUBV-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)C[N@@H+](CCN)C(C)(C)C 689968283 573540765 /nfs/dbraw/zinc/54/07/65/573540765.db2.gz CNKXAYJSUGTSHN-SNVBAGLBSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[N@@H+](CCN)C[C@H]1CC=CCC1 308617993 573540342 /nfs/dbraw/zinc/54/03/42/573540342.db2.gz RZEQXRRXRYGSOU-LBPRGKRZSA-N 1 1 196.338 2.013 10 0 AEAEMO C[N@H+]1CCCC[C@H]1CCC1(O)CCC1 258056704 573540380 /nfs/dbraw/zinc/54/03/80/573540380.db2.gz PLGLMPJLOYMIDT-NSHDSACASA-N 1 1 197.322 2.166 10 0 AEAEMO C[C@@H](c1ccc2nc[nH]c2c1)[NH+](C)C 259105587 573540597 /nfs/dbraw/zinc/54/05/97/573540597.db2.gz HKFVAUKKMZVROS-QMMMGPOBSA-N 1 1 189.262 2.186 10 0 AEAEMO CC[N@@H+](CC1CCC(O)CC1)C(C)C 308618646 573541259 /nfs/dbraw/zinc/54/12/59/573541259.db2.gz TUJXARDLTMNMLI-UHFFFAOYSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H]1CCC[C@@H](C)[C@H]1[N@@H+](C)CCO 308617048 573541850 /nfs/dbraw/zinc/54/18/50/573541850.db2.gz ASRIDAPRKUHYLZ-IJLUTSLNSA-N 1 1 199.338 2.125 10 0 AEAEMO [NH3+][C@H](C1=CCCC1)C(F)(F)C(F)F 86638897 573543585 /nfs/dbraw/zinc/54/35/85/573543585.db2.gz SBZLBZVWWSMBMP-ZCFIWIBFSA-N 1 1 197.175 2.324 10 0 AEAEMO CCc1nc[nH]c1-c1ccccc1N 257825011 573543855 /nfs/dbraw/zinc/54/38/55/573543855.db2.gz GXMPLKXZUHSRDV-UHFFFAOYSA-N 1 1 187.246 2.221 10 0 AEAEMO C[C@H]1CCC[C@@H](C)[C@@H]1[N@@H+](C)CCCO 308618904 573543933 /nfs/dbraw/zinc/54/39/33/573543933.db2.gz CFCRODPHAFXYTC-GDNZZTSVSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[N@@H+](C1CC1)[C@H]1CCC[C@]1(C)O 308611816 573544023 /nfs/dbraw/zinc/54/40/23/573544023.db2.gz YQCGWGNUIOXFCX-RYUDHWBXSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[C@H](C)C[N@@H+](CCN)C(C)(C)C 689968281 573544122 /nfs/dbraw/zinc/54/41/22/573544122.db2.gz CNKXAYJSUGTSHN-JTQLQIEISA-N 1 1 186.343 2.092 10 0 AEAEMO C1C[C@H]2[C@H](C1)C[C@H]1CCCC[N@@H+]21 39111771 573545848 /nfs/dbraw/zinc/54/58/48/573545848.db2.gz ZRQZCHFWQPGOJP-MXWKQRLJSA-N 1 1 165.280 2.413 10 0 AEAEMO CC(C)CC[N@H+]1CCC[C@H](N)C1(C)C 258767099 573545316 /nfs/dbraw/zinc/54/53/16/573545316.db2.gz KYORTUJFAKXWPF-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCN1CCC[C@H]([NH3+])C1(C)C 258767099 573545321 /nfs/dbraw/zinc/54/53/21/573545321.db2.gz KYORTUJFAKXWPF-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CC[N@H+]1CCC[C@@H](N)C1(C)C 258767096 573545338 /nfs/dbraw/zinc/54/53/38/573545338.db2.gz KYORTUJFAKXWPF-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCN1CCC[C@@H]([NH3+])C1(C)C 258767096 573545344 /nfs/dbraw/zinc/54/53/44/573545344.db2.gz KYORTUJFAKXWPF-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCC[N@H+]1CCC(=O)C(C)(C)C1 259119371 573545416 /nfs/dbraw/zinc/54/54/16/573545416.db2.gz BZUGEOYMOABOJF-UHFFFAOYSA-N 1 1 197.322 2.478 10 0 AEAEMO CCC[N@@H+](C1CC1)[C@H]1CCC[C@@]1(C)O 308611815 573548176 /nfs/dbraw/zinc/54/81/76/573548176.db2.gz YQCGWGNUIOXFCX-NWDGAFQWSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC[NH2+]C(C)(C)CC1 259503172 573546899 /nfs/dbraw/zinc/54/68/99/573546899.db2.gz TVVXWOFLWFSOKN-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@@H+](C1CC1)[C@@H]1CCC[C@]1(C)O 308611814 573547029 /nfs/dbraw/zinc/54/70/29/573547029.db2.gz YQCGWGNUIOXFCX-NEPJUHHUSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCC[NH2+]C(C)(C)CC1 259503169 573547783 /nfs/dbraw/zinc/54/77/83/573547783.db2.gz TVVXWOFLWFSOKN-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)CC[N@H+]1C[C@@H](N)CCC1(C)C 258770276 573548261 /nfs/dbraw/zinc/54/82/61/573548261.db2.gz LGFFKASALORHOX-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCN1C[C@@H]([NH3+])CCC1(C)C 258770276 573548266 /nfs/dbraw/zinc/54/82/66/573548266.db2.gz LGFFKASALORHOX-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO C[NH2+][C@H](C)C(F)(F)Cc1ccccc1 257825688 573548637 /nfs/dbraw/zinc/54/86/37/573548637.db2.gz FOWYQLYPPUCHHW-SECBINFHSA-N 1 1 199.244 2.472 10 0 AEAEMO Cc1ccsc1-c1cnc(C[NH3+])o1 83554428 573548755 /nfs/dbraw/zinc/54/87/55/573548755.db2.gz YKQJPRDMYMWWNP-UHFFFAOYSA-N 1 1 194.259 2.170 10 0 AEAEMO Cc1cc(-c2cnc(C[NH3+])o2)c(C)o1 83554483 573548956 /nfs/dbraw/zinc/54/89/56/573548956.db2.gz SXJTXUHZSJIEPT-UHFFFAOYSA-N 1 1 192.218 2.010 10 0 AEAEMO C[C@@H]([NH3+])c1ncc(C2CCCC2)o1 83554565 573550320 /nfs/dbraw/zinc/55/03/20/573550320.db2.gz JYIZZAPARVWRMR-SSDOTTSWSA-N 1 1 180.251 2.352 10 0 AEAEMO C[C@H]([NH3+])c1ncc(CC(C)(C)C)o1 83554683 573550393 /nfs/dbraw/zinc/55/03/93/573550393.db2.gz DLIWGNSLRINJCX-ZETCQYMHSA-N 1 1 182.267 2.283 10 0 AEAEMO C[C@H]1CC[C@H](C)N1c1ccc(N)c[nH+]1 238438326 573550471 /nfs/dbraw/zinc/55/04/71/573550471.db2.gz XNRLKWOLLPIQJI-IUCAKERBSA-N 1 1 191.278 2.041 10 0 AEAEMO CC[C@H](O)C[N@H+]1CCC12CCCCC2 687980227 573550563 /nfs/dbraw/zinc/55/05/63/573550563.db2.gz IPVOZPXJOLBQST-NSHDSACASA-N 1 1 197.322 2.166 10 0 AEAEMO CC[C@@H](O)C[N@H+]1CCC12CCCCC2 687980224 573550858 /nfs/dbraw/zinc/55/08/58/573550858.db2.gz IPVOZPXJOLBQST-LLVKDONJSA-N 1 1 197.322 2.166 10 0 AEAEMO CC(C)[C@H](C)c1cnc([C@@H](C)[NH3+])o1 83554614 573550895 /nfs/dbraw/zinc/55/08/95/573550895.db2.gz BNGKBFPIKPAXIU-JGVFFNPUSA-N 1 1 182.267 2.454 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@@]1(CN)CC[C@H]1C 308628265 573551002 /nfs/dbraw/zinc/55/10/02/573551002.db2.gz XTCGYCPYKIQLAM-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(C)(C)c1cnc(C[NH2+]C)o1 83555276 573551035 /nfs/dbraw/zinc/55/10/35/573551035.db2.gz XTJIUUPESUIMQM-UHFFFAOYSA-N 1 1 182.267 2.082 10 0 AEAEMO C[C@H]([NH3+])c1ncc(C2CCCC2)o1 83554564 573551134 /nfs/dbraw/zinc/55/11/34/573551134.db2.gz JYIZZAPARVWRMR-ZETCQYMHSA-N 1 1 180.251 2.352 10 0 AEAEMO Cc1ccoc1-c1cnc([C@H](C)[NH3+])o1 83554535 573551359 /nfs/dbraw/zinc/55/13/59/573551359.db2.gz KLNLVGWNZGDEDG-ZETCQYMHSA-N 1 1 192.218 2.263 10 0 AEAEMO CNc1[nH]cc(-c2cccc(C)c2)[nH+]1 259120398 573551493 /nfs/dbraw/zinc/55/14/93/573551493.db2.gz PVKSUUNUYWNXGZ-UHFFFAOYSA-N 1 1 187.246 2.427 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@]1(CN)CC[C@H]1C 308628263 573551566 /nfs/dbraw/zinc/55/15/66/573551566.db2.gz XTCGYCPYKIQLAM-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO C[NH2+][C@@H](C)C(F)(F)Cc1ccccc1 257825689 573551576 /nfs/dbraw/zinc/55/15/76/573551576.db2.gz FOWYQLYPPUCHHW-VIFPVBQESA-N 1 1 199.244 2.472 10 0 AEAEMO CC[C@@H](C)c1cnc([C@H](C)[NH3+])o1 83554652 573551639 /nfs/dbraw/zinc/55/16/39/573551639.db2.gz IOEBMCILOBQXGU-RQJHMYQMSA-N 1 1 168.240 2.208 10 0 AEAEMO Cc1ccc(-c2cnc([C@@H](C)[NH3+])o2)o1 83554685 573552027 /nfs/dbraw/zinc/55/20/27/573552027.db2.gz QLSCEFVTZGBEPF-SSDOTTSWSA-N 1 1 192.218 2.263 10 0 AEAEMO CCC(C)(C)c1cnc([C@H](C)[NH3+])o1 83554738 573552128 /nfs/dbraw/zinc/55/21/28/573552128.db2.gz FGVHNWQUTNFSGP-ZETCQYMHSA-N 1 1 182.267 2.382 10 0 AEAEMO CCC(C)(C)c1cnc([C@@H](C)[NH3+])o1 83554737 573552199 /nfs/dbraw/zinc/55/21/99/573552199.db2.gz FGVHNWQUTNFSGP-SSDOTTSWSA-N 1 1 182.267 2.382 10 0 AEAEMO C[N@@H+](CC1(C)CCCC1)C(C)(C)CO 393667171 573552402 /nfs/dbraw/zinc/55/24/02/573552402.db2.gz MUAIFLBKUYCIMB-UHFFFAOYSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[N@@H+](C)CC(C)(C)CC 223128500 573552459 /nfs/dbraw/zinc/55/24/59/573552459.db2.gz SOHNTURSCKUXCA-UHFFFAOYSA-N 1 1 143.274 2.374 10 0 AEAEMO C[NH2+]Cc1ncc(C2CCCC2)o1 83555114 573552490 /nfs/dbraw/zinc/55/24/90/573552490.db2.gz LRMJFWIFRSJPFC-UHFFFAOYSA-N 1 1 180.251 2.052 10 0 AEAEMO C[C@H]1CC[N@H+]2Cc3ccccc3N[C@@H]12 238437818 573552505 /nfs/dbraw/zinc/55/25/05/573552505.db2.gz ZQNVTVYKKPROFO-JOYOIKCWSA-N 1 1 188.274 2.280 10 0 AEAEMO CC[C@H](C)c1cnc([C@H](C)[NH3+])o1 83554653 573552731 /nfs/dbraw/zinc/55/27/31/573552731.db2.gz IOEBMCILOBQXGU-BQBZGAKWSA-N 1 1 168.240 2.208 10 0 AEAEMO CC[C@@H](C)c1cnc([C@@H](C)[NH3+])o1 83554650 573552768 /nfs/dbraw/zinc/55/27/68/573552768.db2.gz IOEBMCILOBQXGU-RNFRBKRXSA-N 1 1 168.240 2.208 10 0 AEAEMO Cc1occc1-c1cnc([C@@H](C)[NH3+])o1 83554619 573553837 /nfs/dbraw/zinc/55/38/37/573553837.db2.gz QZZAUCWPBZERSQ-ZCFIWIBFSA-N 1 1 192.218 2.263 10 0 AEAEMO Cc1ccoc1-c1cnc([C@@H](C)[NH3+])o1 83554534 573554128 /nfs/dbraw/zinc/55/41/28/573554128.db2.gz KLNLVGWNZGDEDG-SSDOTTSWSA-N 1 1 192.218 2.263 10 0 AEAEMO CC(C)[C@H](C)c1cnc([C@H](C)[NH3+])o1 83554616 573554166 /nfs/dbraw/zinc/55/41/66/573554166.db2.gz BNGKBFPIKPAXIU-YUMQZZPRSA-N 1 1 182.267 2.454 10 0 AEAEMO CC[C@H](C)c1cnc([C@@H](C)[NH3+])o1 83554651 573554240 /nfs/dbraw/zinc/55/42/40/573554240.db2.gz IOEBMCILOBQXGU-NKWVEPMBSA-N 1 1 168.240 2.208 10 0 AEAEMO C[C@@H]([NH3+])c1ncc(-c2ccsc2)o1 83554721 573554341 /nfs/dbraw/zinc/55/43/41/573554341.db2.gz ZWMBARYGWXBMQX-ZCFIWIBFSA-N 1 1 194.259 2.423 10 0 AEAEMO CC(C)[C@@H](C)c1cnc([C@@H](C)[NH3+])o1 83554613 573554378 /nfs/dbraw/zinc/55/43/78/573554378.db2.gz BNGKBFPIKPAXIU-HTQZYQBOSA-N 1 1 182.267 2.454 10 0 AEAEMO Cc1ccc(-c2cnc([C@H](C)[NH3+])o2)o1 83554686 573554410 /nfs/dbraw/zinc/55/44/10/573554410.db2.gz QLSCEFVTZGBEPF-ZETCQYMHSA-N 1 1 192.218 2.263 10 0 AEAEMO C[C@H]([NH3+])c1ncc(CC2CCCC2)o1 83554724 573554422 /nfs/dbraw/zinc/55/44/22/573554422.db2.gz MCTUMXULAHQRIQ-QMMMGPOBSA-N 1 1 194.278 2.427 10 0 AEAEMO C[C@@H]([NH3+])c1ncc(CC2CCCC2)o1 83554725 573554516 /nfs/dbraw/zinc/55/45/16/573554516.db2.gz MCTUMXULAHQRIQ-MRVPVSSYSA-N 1 1 194.278 2.427 10 0 AEAEMO C[C@@H]([NH3+])c1ncc(CC(C)(C)C)o1 83554684 573555622 /nfs/dbraw/zinc/55/56/22/573555622.db2.gz DLIWGNSLRINJCX-SSDOTTSWSA-N 1 1 182.267 2.283 10 0 AEAEMO CC[C@H]1CC[C@@H](C)[N@H+]1CC(C)(C)O 124621139 573555628 /nfs/dbraw/zinc/55/56/28/573555628.db2.gz ROMNEIUAPOOKEQ-ZJUUUORDSA-N 1 1 185.311 2.020 10 0 AEAEMO Cc1occc1-c1cnc([C@H](C)[NH3+])o1 83554620 573555588 /nfs/dbraw/zinc/55/55/88/573555588.db2.gz QZZAUCWPBZERSQ-LURJTMIESA-N 1 1 192.218 2.263 10 0 AEAEMO CC[C@H](C)[NH2+][C@H]1CCCCC[C@@H]1N 86678586 573556720 /nfs/dbraw/zinc/55/67/20/573556720.db2.gz XTMJWAYMMLDOGO-DCAQKATOSA-N 1 1 184.327 2.035 10 0 AEAEMO C[C@@H](CO)[N@@H+](C)C1C[C@H](C)C[C@@H](C)C1 124632313 573559465 /nfs/dbraw/zinc/55/94/65/573559465.db2.gz UFFSEMSTNYKKII-MXWKQRLJSA-N 1 1 199.338 2.124 10 0 AEAEMO Cc1nc(CC(C)(C)[NH3+])[nH]c1C(C)C 258774297 573559229 /nfs/dbraw/zinc/55/92/29/573559229.db2.gz UHALEQYYBISISU-UHFFFAOYSA-N 1 1 195.310 2.121 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC[C@@H](CO)C1(C)C 259508677 573561072 /nfs/dbraw/zinc/56/10/72/573561072.db2.gz UHSUTWBCKXYOHG-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H]1CC[C@@H](C)[NH+]1C[C@@H]1CCCCN1 238440300 573560740 /nfs/dbraw/zinc/56/07/40/573560740.db2.gz IATFARALGBNTBE-UTUOFQBUSA-N 1 1 196.338 2.001 10 0 AEAEMO CCc1[nH+]ccc(OC2CC2)c1NC 95727146 573560844 /nfs/dbraw/zinc/56/08/44/573560844.db2.gz AJAJKHBDTORNSN-UHFFFAOYSA-N 1 1 192.262 2.227 10 0 AEAEMO CCC[C@H]([NH2+]Cc1ccn[nH]1)C1CC1 126526420 573561494 /nfs/dbraw/zinc/56/14/94/573561494.db2.gz SQALQVUSCJRDON-NSHDSACASA-N 1 1 193.294 2.078 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC[C@H](CO)C1(C)C 259508680 573561557 /nfs/dbraw/zinc/56/15/57/573561557.db2.gz UHSUTWBCKXYOHG-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H](CO)[N@@H+](C)[C@@H](C)c1ccccc1 124639306 573561936 /nfs/dbraw/zinc/56/19/36/573561936.db2.gz RQALWIIURCQHLF-QWRGUYRKSA-N 1 1 193.290 2.060 10 0 AEAEMO c1ccc2c(c1)CC[N@@H+]1C[C@@H]3C[C@@H]3[C@H]21 257831103 573566898 /nfs/dbraw/zinc/56/68/98/573566898.db2.gz JMIPOUPZNDXKPA-DRZSPHRISA-N 1 1 185.270 2.236 10 0 AEAEMO CNC([NH2+]C)c1c(C)cc(C)cc1C 259512080 573569150 /nfs/dbraw/zinc/56/91/50/573569150.db2.gz SUWSZODXWHYPRL-UHFFFAOYSA-N 1 1 192.306 2.049 10 0 AEAEMO CCC(C)(C)[NH2+]Cc1ncccc1O 308624979 573569352 /nfs/dbraw/zinc/56/93/52/573569352.db2.gz VNRJBSNNKLMHGE-UHFFFAOYSA-N 1 1 194.278 2.065 10 0 AEAEMO CCCC[N@H+]1CCC[C@H](O)C1(C)C 258779590 573569512 /nfs/dbraw/zinc/56/95/12/573569512.db2.gz LWHZXSRCOCVOSM-JTQLQIEISA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@@H](C)[NH2+]c1ccc(N)cc1OC 86687417 573571395 /nfs/dbraw/zinc/57/13/95/573571395.db2.gz VPUYXSNFARXQMC-MRVPVSSYSA-N 1 1 194.278 2.488 10 0 AEAEMO FC1(F)C[NH2+]CC[C@@H]1C1CCCC1 257832046 573571572 /nfs/dbraw/zinc/57/15/72/573571572.db2.gz KHXXMDDPPMUPBL-SECBINFHSA-N 1 1 189.249 2.421 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@@H+](C)[C@@H](CN)C1CC1 126583856 573572123 /nfs/dbraw/zinc/57/21/23/573572123.db2.gz MTOBPFDTYWOSIH-NHCYSSNCSA-N 1 1 198.354 2.090 10 0 AEAEMO Nc1ccc([NH2+]CCC2CC2)cc1N 236368830 573572279 /nfs/dbraw/zinc/57/22/79/573572279.db2.gz GTLHCDIOOULBIX-UHFFFAOYSA-N 1 1 191.278 2.063 10 0 AEAEMO Nc1ccc([NH2+]C2CCCC2)cc1N 236366124 573572528 /nfs/dbraw/zinc/57/25/28/573572528.db2.gz RYVILZVCRBGZKH-UHFFFAOYSA-N 1 1 191.278 2.206 10 0 AEAEMO CCCC[C@H](C)[N@@H+](C)C1(CN)CCC1 308633578 573574001 /nfs/dbraw/zinc/57/40/01/573574001.db2.gz AFSAXZQVCSEYOE-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO Nc1ccc([NH2+]CC2CCC2)cc1N 236367860 573574161 /nfs/dbraw/zinc/57/41/61/573574161.db2.gz WSDGJXSFDXJBPF-UHFFFAOYSA-N 1 1 191.278 2.063 10 0 AEAEMO CCC(CC)C[NH2+]CCNCC1CC1 130441036 573576294 /nfs/dbraw/zinc/57/62/94/573576294.db2.gz YCIAOJKRJZRFQZ-UHFFFAOYSA-N 1 1 198.354 2.012 10 0 AEAEMO CCC(CC)CNCC[NH2+]CC1CC1 130441036 573576299 /nfs/dbraw/zinc/57/62/99/573576299.db2.gz YCIAOJKRJZRFQZ-UHFFFAOYSA-N 1 1 198.354 2.012 10 0 AEAEMO C[C@@H](c1ccc(N)cc1)[N@H+]1CC[C@H]1C 86687832 573576314 /nfs/dbraw/zinc/57/63/14/573576314.db2.gz ONSWCYCZHPJTEI-ZJUUUORDSA-N 1 1 190.290 2.424 10 0 AEAEMO CCC[NH2+][C@@H]1CCCC[C@H]1NC(C)C 715938145 573576433 /nfs/dbraw/zinc/57/64/33/573576433.db2.gz JYHCHNNQVJCFPQ-VXGBXAGGSA-N 1 1 198.354 2.295 10 0 AEAEMO CCCN[C@@H]1CCCC[C@H]1[NH2+]C(C)C 715938145 573576438 /nfs/dbraw/zinc/57/64/38/573576438.db2.gz JYHCHNNQVJCFPQ-VXGBXAGGSA-N 1 1 198.354 2.295 10 0 AEAEMO Cc1ccc(C(=O)C[NH3+])c(C)c1Cl 214918190 573578068 /nfs/dbraw/zinc/57/80/68/573578068.db2.gz YDYCAVXDOMLWEV-UHFFFAOYSA-N 1 1 197.665 2.098 10 0 AEAEMO CCC(CC)C[NH2+]CC(C)(C)NC 130433494 573578103 /nfs/dbraw/zinc/57/81/03/573578103.db2.gz YGNSUJYKVCNBIX-UHFFFAOYSA-N 1 1 186.343 2.010 10 0 AEAEMO C[C@H]1CC[N@@H+]1[C@@H](C)c1cccc(N)c1 86687875 573578596 /nfs/dbraw/zinc/57/85/96/573578596.db2.gz LREOLWNCBDLDDL-UWVGGRQHSA-N 1 1 190.290 2.424 10 0 AEAEMO C[C@@H]1CC[C@@H](C)N1c1ccc(N)c[nH+]1 238440473 573578786 /nfs/dbraw/zinc/57/87/86/573578786.db2.gz XNRLKWOLLPIQJI-RKDXNWHRSA-N 1 1 191.278 2.041 10 0 AEAEMO Cc1cc(C)c(C(=O)C[NH3+])c(Cl)c1 214918332 573578977 /nfs/dbraw/zinc/57/89/77/573578977.db2.gz KDJBXVNYOKKDGK-UHFFFAOYSA-N 1 1 197.665 2.098 10 0 AEAEMO CCC1(C[NH2+][C@H](C)CCN(C)C)CC1 308635862 573579089 /nfs/dbraw/zinc/57/90/89/573579089.db2.gz AWGRXJYHQZFVDT-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)(N)C[NH2+]CCC1(C)CCCC1 308636853 573579425 /nfs/dbraw/zinc/57/94/25/573579425.db2.gz BGKIVWWLLOMWRZ-UHFFFAOYSA-N 1 1 198.354 2.284 10 0 AEAEMO CCC1(C[NH2+][C@@H](C)CCN(C)C)CC1 308635864 573579454 /nfs/dbraw/zinc/57/94/54/573579454.db2.gz AWGRXJYHQZFVDT-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[NH2+][C@H]1CCCC[C@@H]1NC(C)C 715938128 573579473 /nfs/dbraw/zinc/57/94/73/573579473.db2.gz JYHCHNNQVJCFPQ-RYUDHWBXSA-N 1 1 198.354 2.295 10 0 AEAEMO CCCN[C@H]1CCCC[C@@H]1[NH2+]C(C)C 715938128 573579475 /nfs/dbraw/zinc/57/94/75/573579475.db2.gz JYHCHNNQVJCFPQ-RYUDHWBXSA-N 1 1 198.354 2.295 10 0 AEAEMO Cc1cc(C(=O)C[NH3+])c(C)cc1Cl 214918254 573579626 /nfs/dbraw/zinc/57/96/26/573579626.db2.gz HENMWNUTYAYIFC-UHFFFAOYSA-N 1 1 197.665 2.098 10 0 AEAEMO CC(C)c1nc2c(s1)[C@H](C)[NH2+]C2 75463895 573579779 /nfs/dbraw/zinc/57/97/79/573579779.db2.gz ASEBOYYOVRBGQS-LURJTMIESA-N 1 1 182.292 2.431 10 0 AEAEMO CCC[NH2+][C@H]1CCCC[C@H]1NC(C)C 715938125 573579845 /nfs/dbraw/zinc/57/98/45/573579845.db2.gz JYHCHNNQVJCFPQ-NWDGAFQWSA-N 1 1 198.354 2.295 10 0 AEAEMO CCCN[C@H]1CCCC[C@H]1[NH2+]C(C)C 715938125 573579848 /nfs/dbraw/zinc/57/98/48/573579848.db2.gz JYHCHNNQVJCFPQ-NWDGAFQWSA-N 1 1 198.354 2.295 10 0 AEAEMO C[C@@H](c1ccccc1N)[N@H+]1CC[C@H]1C 86687949 573579947 /nfs/dbraw/zinc/57/99/47/573579947.db2.gz VHCJVSIYQMGOLC-ZJUUUORDSA-N 1 1 190.290 2.424 10 0 AEAEMO C[C@H]1CC[N@@H+]1[C@@H](C)c1ccccc1N 86687951 573579976 /nfs/dbraw/zinc/57/99/76/573579976.db2.gz VHCJVSIYQMGOLC-UWVGGRQHSA-N 1 1 190.290 2.424 10 0 AEAEMO C[C@H]1CC[N@@H+]1[C@@H](C)c1ccc(N)cc1 86687833 573580116 /nfs/dbraw/zinc/58/01/16/573580116.db2.gz ONSWCYCZHPJTEI-UWVGGRQHSA-N 1 1 190.290 2.424 10 0 AEAEMO Cc1cc(C(=O)C[NH3+])cc(C)c1Cl 214918540 573580148 /nfs/dbraw/zinc/58/01/48/573580148.db2.gz XNVDKRFVFRLUNU-UHFFFAOYSA-N 1 1 197.665 2.098 10 0 AEAEMO CC(C)(C[NH2+]CN)C1CCCCC1 258791186 573580172 /nfs/dbraw/zinc/58/01/72/573580172.db2.gz CMMQBSAQXAVVPW-UHFFFAOYSA-N 1 1 184.327 2.099 10 0 AEAEMO Cc1nc(C(C)(C)C[NH3+])[nH]c1C(C)C 258786453 573580208 /nfs/dbraw/zinc/58/02/08/573580208.db2.gz VHPMOEIUUVGKRR-UHFFFAOYSA-N 1 1 195.310 2.078 10 0 AEAEMO CC1=Nc2ccccc2C[NH+]=C1 144401869 573580339 /nfs/dbraw/zinc/58/03/39/573580339.db2.gz QDKFSSJYQZHNLP-UHFFFAOYSA-N 1 1 158.204 2.392 10 0 AEAEMO CCCC[N@H+]1CCCCNC(C)(C)C1 259517484 573580351 /nfs/dbraw/zinc/58/03/51/573580351.db2.gz VAOFALAPPGHGQM-UHFFFAOYSA-N 1 1 198.354 2.251 10 0 AEAEMO Cc1cc(C)c(C(=O)C[NH3+])cc1Cl 214918471 573580417 /nfs/dbraw/zinc/58/04/17/573580417.db2.gz NVRRKHHCGLDXCD-UHFFFAOYSA-N 1 1 197.665 2.098 10 0 AEAEMO CC(C)=CCN[C@H](C)C[N@H+](C)C(C)C 308637951 573580898 /nfs/dbraw/zinc/58/08/98/573580898.db2.gz CYSGWXFYUCSADN-GFCCVEGCSA-N 1 1 198.354 2.271 10 0 AEAEMO CC(C)=CCN[C@H](C)C[N@@H+](C)C(C)C 308637951 573580904 /nfs/dbraw/zinc/58/09/04/573580904.db2.gz CYSGWXFYUCSADN-GFCCVEGCSA-N 1 1 198.354 2.271 10 0 AEAEMO C[C@H]([NH2+][C@H](C)C1CCCCC1)[C@@H](C)N 308637373 573581099 /nfs/dbraw/zinc/58/10/99/573581099.db2.gz BLOCXECDQSJXJN-OUAUKWLOSA-N 1 1 198.354 2.281 10 0 AEAEMO CNC1(C[NH2+]C(C)(C)C)CCCCC1 308637397 573581528 /nfs/dbraw/zinc/58/15/28/573581528.db2.gz BMAMCWBMXXEQBU-UHFFFAOYSA-N 1 1 198.354 2.297 10 0 AEAEMO CCCc1nc([C@@H](C)CC[NH3+])[nH]c1C 258800364 573581622 /nfs/dbraw/zinc/58/16/22/573581622.db2.gz WRPCXQXCSCEAAG-QMMMGPOBSA-N 1 1 195.310 2.123 10 0 AEAEMO CCCc1[nH]c([C@@H](C)CC[NH3+])nc1C 258800364 573581627 /nfs/dbraw/zinc/58/16/27/573581627.db2.gz WRPCXQXCSCEAAG-QMMMGPOBSA-N 1 1 195.310 2.123 10 0 AEAEMO CC(C)CC[N@H+]1C[C@@H](CO)CC1(C)C 259519263 573582389 /nfs/dbraw/zinc/58/23/89/573582389.db2.gz VEPDUZWZJURSHZ-NSHDSACASA-N 1 1 199.338 2.125 10 0 AEAEMO C[N@@H+](CC1(CO)CC1)C1CCCCC1 258801375 573582544 /nfs/dbraw/zinc/58/25/44/573582544.db2.gz AQNAXAKGONXIOV-UHFFFAOYSA-N 1 1 197.322 2.023 10 0 AEAEMO C[C@H]([NH2+][C@@H](C)[C@@H](C)N)C1CCCCC1 308637375 573583261 /nfs/dbraw/zinc/58/32/61/573583261.db2.gz BLOCXECDQSJXJN-VWYCJHECSA-N 1 1 198.354 2.281 10 0 AEAEMO COC1CC([N@@H+](C)CC=C(C)C)C1 308402834 573583390 /nfs/dbraw/zinc/58/33/90/573583390.db2.gz HYTMVYCAPCVGED-UHFFFAOYSA-N 1 1 183.295 2.062 10 0 AEAEMO Cc1cc(N)[nH+]cc1-c1ccoc1 86716459 573585210 /nfs/dbraw/zinc/58/52/10/573585210.db2.gz CCGRWYXEKWFRSF-UHFFFAOYSA-N 1 1 174.203 2.232 10 0 AEAEMO C[C@@H](CCN(C)C)[NH2+]CCC1(C)CC1 308637411 573586552 /nfs/dbraw/zinc/58/65/52/573586552.db2.gz CUXMWAYZATVKDY-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)CCC[N@H+](C)CC1(CN)CC1 258805524 573586665 /nfs/dbraw/zinc/58/66/65/573586665.db2.gz AWIYAIHNTIJSMT-UHFFFAOYSA-N 1 1 198.354 2.093 10 0 AEAEMO CC(C)CCC[N@@H+](C)CC1(CN)CC1 258805524 573586672 /nfs/dbraw/zinc/58/66/72/573586672.db2.gz AWIYAIHNTIJSMT-UHFFFAOYSA-N 1 1 198.354 2.093 10 0 AEAEMO C[C@@H]1CC[C@@H](CCO)[N@H+]2CCCC[C@@H]12 198335045 573586679 /nfs/dbraw/zinc/58/66/79/573586679.db2.gz WOEMTODBRFOWQX-WOPDTQHZSA-N 1 1 197.322 2.022 10 0 AEAEMO Cc1nc([C@H](C)[NH3+])[nH]c1C1CCCC1 258806258 573586750 /nfs/dbraw/zinc/58/67/50/573586750.db2.gz XLJHRCJTTNXTJE-ZETCQYMHSA-N 1 1 193.294 2.395 10 0 AEAEMO CCCCC[N@H+]1CCCCN[C@H](C)C1 259519312 573586873 /nfs/dbraw/zinc/58/68/73/573586873.db2.gz VFMJSTRHIBKDOU-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCN1CCCC[NH2+][C@H](C)C1 259519312 573586880 /nfs/dbraw/zinc/58/68/80/573586880.db2.gz VFMJSTRHIBKDOU-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO Cc1nc([C@@H](C)[NH3+])[nH]c1C1CCCC1 258806255 573588164 /nfs/dbraw/zinc/58/81/64/573588164.db2.gz XLJHRCJTTNXTJE-SSDOTTSWSA-N 1 1 193.294 2.395 10 0 AEAEMO CC(C)C[N@@H+](C)CC1CCC(O)CC1 258799517 573588355 /nfs/dbraw/zinc/58/83/55/573588355.db2.gz ANKHBEBCPRFSDI-UHFFFAOYSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@@H](N)[C@@H](C)[N@H+]1CCCC(C)(C)CC1 83680408 573589474 /nfs/dbraw/zinc/58/94/74/573589474.db2.gz SPDMTBSUXLELGF-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]([C@@H](C)N)[N@H+]1CCCC(C)(C)CC1 83680412 573589699 /nfs/dbraw/zinc/58/96/99/573589699.db2.gz SPDMTBSUXLELGF-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO CC1(C)C[N@H+](C2CCCC2)CCC1=O 259117325 573589849 /nfs/dbraw/zinc/58/98/49/573589849.db2.gz BTIRINJIHGWTHM-UHFFFAOYSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC(=O)C[N@H+]1CCCC(C)(C)CC1 83680749 573591327 /nfs/dbraw/zinc/59/13/27/573591327.db2.gz OXLSJFWKRWCVPO-UHFFFAOYSA-N 1 1 197.322 2.478 10 0 AEAEMO CNC[C@H](C)[N@@H+]1CCCC(C)(C)CC1 83681166 573591304 /nfs/dbraw/zinc/59/13/04/573591304.db2.gz ZWKFBANXMCMKKG-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CNC[C@H](C)[N@H+]1CCCC(C)(C)CC1 83681166 573591306 /nfs/dbraw/zinc/59/13/06/573591306.db2.gz ZWKFBANXMCMKKG-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CN[C@H](C)C[N@H+]1CCCC(C)(C)CC1 83680362 573590989 /nfs/dbraw/zinc/59/09/89/573590989.db2.gz DZBNRLVQBXTROP-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](CN)[N@H+]1CCCC(C)(C)CC1 83680154 573591483 /nfs/dbraw/zinc/59/14/83/573591483.db2.gz OLRFGUCGTQOARG-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@H](N)[C@@H](C)[N@H+]1CCCC(C)(C)CC1 83680407 573591613 /nfs/dbraw/zinc/59/16/13/573591613.db2.gz SPDMTBSUXLELGF-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO C[N@@H+](CCC1CC1)[C@H]1CCC[C@H](O)C1 308640245 573591988 /nfs/dbraw/zinc/59/19/88/573591988.db2.gz DOAMVVQJXNCZRH-RYUDHWBXSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[N@@H+](C)[C@H]1CCc2cc(N)ccc21 86731110 573593755 /nfs/dbraw/zinc/59/37/55/573593755.db2.gz YUEPVVDKBGPWCQ-LBPRGKRZSA-N 1 1 190.290 2.208 10 0 AEAEMO CN[C@@H](C)C[N@@H+]1CCCC(C)(C)CC1 83680360 573593684 /nfs/dbraw/zinc/59/36/84/573593684.db2.gz DZBNRLVQBXTROP-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CN[C@@H](C)C[N@H+]1CCCC(C)(C)CC1 83680360 573593688 /nfs/dbraw/zinc/59/36/88/573593688.db2.gz DZBNRLVQBXTROP-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO Cc1cc(O)ccc1-n1cc[nH+]c1C 83696264 573594774 /nfs/dbraw/zinc/59/47/74/573594774.db2.gz VVXNZRQMKSFVGD-UHFFFAOYSA-N 1 1 188.230 2.195 10 0 AEAEMO C/C=C/CNC(C)(C)C[NH+](CC)CC 308632972 573595002 /nfs/dbraw/zinc/59/50/02/573595002.db2.gz UIJYIXQAJSQLFG-RMKNXTFCSA-N 1 1 198.354 2.273 10 0 AEAEMO CC(C)(O)C[N@H+]1CCC[C@H]2CCC[C@@H]21 83701814 573595433 /nfs/dbraw/zinc/59/54/33/573595433.db2.gz DWAQNCPUXBAARS-MNOVXSKESA-N 1 1 197.322 2.022 10 0 AEAEMO CC1(C)[C@@H](CCO)CCC[N@H+]1C1CC1 259522780 573595554 /nfs/dbraw/zinc/59/55/54/573595554.db2.gz VIYULTBLVANBJM-SNVBAGLBSA-N 1 1 197.322 2.022 10 0 AEAEMO C/C=C/CNC(C)(C)C[NH+]1CCCC1 308632445 573595584 /nfs/dbraw/zinc/59/55/84/573595584.db2.gz FRMGYSYSQAKROM-SNAWJCMRSA-N 1 1 196.338 2.027 10 0 AEAEMO C[C@H](O)[C@H](C)[N@H+]1CCC[C@H]2CCC[C@@H]21 83702095 573596852 /nfs/dbraw/zinc/59/68/52/573596852.db2.gz PAVLPINFGOUYEE-YFKTTZPYSA-N 1 1 197.322 2.020 10 0 AEAEMO C/C=C\CNC(C)(C)C[NH+]1CCCC1 308632123 573595852 /nfs/dbraw/zinc/59/58/52/573595852.db2.gz FRMGYSYSQAKROM-PLNGDYQASA-N 1 1 196.338 2.027 10 0 AEAEMO CC[C@H](C)[N@H+]1CC(=O)CCC1(C)C 259522820 573595863 /nfs/dbraw/zinc/59/58/63/573595863.db2.gz VJMZKUCPRLMSDI-VIFPVBQESA-N 1 1 183.295 2.228 10 0 AEAEMO CC[C@@H](C)[N@H+]1CC(=O)CCC1(C)C 259522818 573596082 /nfs/dbraw/zinc/59/60/82/573596082.db2.gz VJMZKUCPRLMSDI-SECBINFHSA-N 1 1 183.295 2.228 10 0 AEAEMO CCC(=O)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 83701692 573596266 /nfs/dbraw/zinc/59/62/66/573596266.db2.gz SGOYHMNNTWSSHJ-JQWIXIFHSA-N 1 1 195.306 2.230 10 0 AEAEMO Cc1[nH+]c(N)[nH]c1CCCC(C)C 258813746 573596337 /nfs/dbraw/zinc/59/63/37/573596337.db2.gz OBLNSVRMXOCVEQ-UHFFFAOYSA-N 1 1 181.283 2.279 10 0 AEAEMO CCCC[C@@H](C)[N@@H+](C)CC1(C[NH3+])CC1 308645895 573597568 /nfs/dbraw/zinc/59/75/68/573597568.db2.gz HHTICSGVTDZFQY-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[C@@H](C)[N@H+](C)CC1(CN)CC1 308645895 573597572 /nfs/dbraw/zinc/59/75/72/573597572.db2.gz HHTICSGVTDZFQY-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[C@@H](C)[N@@H+](C)CC1(CN)CC1 308645895 573597578 /nfs/dbraw/zinc/59/75/78/573597578.db2.gz HHTICSGVTDZFQY-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(=O)[C@H](C)[N@H+]1CCC[C@H]2CCC[C@@H]21 83701716 573598810 /nfs/dbraw/zinc/59/88/10/573598810.db2.gz JMEFGXKREWLGRQ-WCQGTBRESA-N 1 1 195.306 2.228 10 0 AEAEMO CO[C@@H]([NH3+])c1ccc(Cl)s1 259522835 573598966 /nfs/dbraw/zinc/59/89/66/573598966.db2.gz SGGAGVFAHVWETL-ZCFIWIBFSA-N 1 1 177.656 2.005 10 0 AEAEMO CCC(=O)C[N@H+]1CCC[C@H]2CCC[C@@H]21 83701688 573599867 /nfs/dbraw/zinc/59/98/67/573599867.db2.gz SGOYHMNNTWSSHJ-PWSUYJOCSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)[N@@H+]1CC=C(CC(C)(C)O)CC1 258070612 573600264 /nfs/dbraw/zinc/60/02/64/573600264.db2.gz MHANJPTVFODQDH-UHFFFAOYSA-N 1 1 197.322 2.188 10 0 AEAEMO Cc1cc(N)[nH+]cc1OC1CCCC1 238457275 573600419 /nfs/dbraw/zinc/60/04/19/573600419.db2.gz LIQITCHSBNJJQP-UHFFFAOYSA-N 1 1 192.262 2.294 10 0 AEAEMO CC[C@]1(CNCC(C)(C)C)CCC[NH2+]1 215407960 573601182 /nfs/dbraw/zinc/60/11/82/573601182.db2.gz LZOICIUQYUKABO-GFCCVEGCSA-N 1 1 198.354 2.154 10 0 AEAEMO C[C@@H]([NH3+])c1nc(-c2ccccc2)co1 259525537 573601288 /nfs/dbraw/zinc/60/12/88/573601288.db2.gz ASBBPGNHUVFDQD-MRVPVSSYSA-N 1 1 188.230 2.361 10 0 AEAEMO CC[C@@]1(CNCC(C)(C)C)CCC[NH2+]1 215408006 573601610 /nfs/dbraw/zinc/60/16/10/573601610.db2.gz LZOICIUQYUKABO-LBPRGKRZSA-N 1 1 198.354 2.154 10 0 AEAEMO CCC(C)(C)[C@@H](N)C[N@@H+](C)C1CCC1 308648499 573602669 /nfs/dbraw/zinc/60/26/69/573602669.db2.gz IPRHROBDXTVXPA-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(C)(C)[C@@H]([NH3+])CN(C)C1CCC1 308648499 573602693 /nfs/dbraw/zinc/60/26/93/573602693.db2.gz IPRHROBDXTVXPA-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]([NH3+])c1nc(-c2ccccc2)co1 259525542 573602923 /nfs/dbraw/zinc/60/29/23/573602923.db2.gz ASBBPGNHUVFDQD-QMMMGPOBSA-N 1 1 188.230 2.361 10 0 AEAEMO CCCc1[nH]c([C@H]2CCC[NH2+]2)nc1C 258817804 573603074 /nfs/dbraw/zinc/60/30/74/573603074.db2.gz YJVLSPNYFGXUFC-SNVBAGLBSA-N 1 1 193.294 2.095 10 0 AEAEMO CC[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H](C)N)[C@@H]1C 308648907 573603171 /nfs/dbraw/zinc/60/31/71/573603171.db2.gz IWAHFYNWTXDVTL-ROHXPCBUSA-N 1 1 198.354 2.136 10 0 AEAEMO CC[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H](C)N)[C@H]1C 308648904 573603741 /nfs/dbraw/zinc/60/37/41/573603741.db2.gz IWAHFYNWTXDVTL-HGCLJGPKSA-N 1 1 198.354 2.136 10 0 AEAEMO CNC(C)(C)C[NH2+][C@H]1CC[C@H](C)CC1 308648918 573606215 /nfs/dbraw/zinc/60/62/15/573606215.db2.gz IWPFRTVZKGIIQT-XYPYZODXSA-N 1 1 198.354 2.153 10 0 AEAEMO CCCC[N@H+]1CCC(C)(C)[C@@H](C[NH3+])C1 259123217 573604703 /nfs/dbraw/zinc/60/47/03/573604703.db2.gz CGZMPQVIOZDGTD-NSHDSACASA-N 1 1 198.354 2.093 10 0 AEAEMO CCCc1[nH]c([C@@H]2CCC[NH2+]2)nc1C 258817803 573605346 /nfs/dbraw/zinc/60/53/46/573605346.db2.gz YJVLSPNYFGXUFC-JTQLQIEISA-N 1 1 193.294 2.095 10 0 AEAEMO CCCCC[N@@H+](CCOC)C1CC1 393540851 573605668 /nfs/dbraw/zinc/60/56/68/573605668.db2.gz YGSDAPQCRQGZSB-UHFFFAOYSA-N 1 1 185.311 2.287 10 0 AEAEMO CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)N)[C@@H]1C 308649260 573605694 /nfs/dbraw/zinc/60/56/94/573605694.db2.gz JCOQZICXZKPJGA-MXWKQRLJSA-N 1 1 198.354 2.138 10 0 AEAEMO CC[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H](C)N)[C@@H]1C 308648906 573605834 /nfs/dbraw/zinc/60/58/34/573605834.db2.gz IWAHFYNWTXDVTL-OOCWMUITSA-N 1 1 198.354 2.136 10 0 AEAEMO CCC(C)(C)[C@H](N)C[N@@H+](C)C1CCC1 308648498 573606055 /nfs/dbraw/zinc/60/60/55/573606055.db2.gz IPRHROBDXTVXPA-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(C)(C)[C@H]([NH3+])CN(C)C1CCC1 308648498 573606082 /nfs/dbraw/zinc/60/60/82/573606082.db2.gz IPRHROBDXTVXPA-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)N)[C@H]1C 308649259 573606115 /nfs/dbraw/zinc/60/61/15/573606115.db2.gz JCOQZICXZKPJGA-HBNTYKKESA-N 1 1 198.354 2.138 10 0 AEAEMO CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)N)[C@@H]1C 308649258 573606176 /nfs/dbraw/zinc/60/61/76/573606176.db2.gz JCOQZICXZKPJGA-GMTAPVOTSA-N 1 1 198.354 2.138 10 0 AEAEMO CCCC[N@H+]1CCC(C)(C)[C@H](C[NH3+])C1 259123215 573606439 /nfs/dbraw/zinc/60/64/39/573606439.db2.gz CGZMPQVIOZDGTD-LLVKDONJSA-N 1 1 198.354 2.093 10 0 AEAEMO [NH3+][C@H]1CCc2ccccc2C1(F)F 257837025 573607912 /nfs/dbraw/zinc/60/79/12/573607912.db2.gz LEVRXXQVDYRADX-VIFPVBQESA-N 1 1 183.201 2.052 10 0 AEAEMO [NH3+][C@@H]1CCc2ccccc2C1(F)F 257837023 573608912 /nfs/dbraw/zinc/60/89/12/573608912.db2.gz LEVRXXQVDYRADX-SECBINFHSA-N 1 1 183.201 2.052 10 0 AEAEMO COC[N@H+](C)Cc1cccc(C)c1 259126206 573610560 /nfs/dbraw/zinc/61/05/60/573610560.db2.gz QHUYJSXEKKGMFJ-UHFFFAOYSA-N 1 1 179.263 2.031 10 0 AEAEMO COC[N@@H+](C)Cc1cccc(C)c1 259126206 573610562 /nfs/dbraw/zinc/61/05/62/573610562.db2.gz QHUYJSXEKKGMFJ-UHFFFAOYSA-N 1 1 179.263 2.031 10 0 AEAEMO Cc1oc(C[NH3+])nc1[C@@H]1CCCS1 258069175 573611880 /nfs/dbraw/zinc/61/18/80/573611880.db2.gz LJNTYYBLEIAPFK-ZETCQYMHSA-N 1 1 198.291 2.010 10 0 AEAEMO Cc1ccccc1CC[NH2+]CC(F)F 86763028 573612241 /nfs/dbraw/zinc/61/22/41/573612241.db2.gz OLPKQCNCYDFJIR-UHFFFAOYSA-N 1 1 199.244 2.392 10 0 AEAEMO C/C=C\CN1CCC[NH2+][C@](C)(CC)C1 308407314 573618071 /nfs/dbraw/zinc/61/80/71/573618071.db2.gz ULOYCWWADTYYCL-TXNVCOODSA-N 1 1 196.338 2.027 10 0 AEAEMO C[N@@H+](CCC1CC1)[C@@H]1CCCCC1=O 308642767 573614983 /nfs/dbraw/zinc/61/49/83/573614983.db2.gz FRMQCIYHJKJPKH-LLVKDONJSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC(C)(C)[C@@H](O)C[N@H+]1CCC[C@H]1C 308643281 573615170 /nfs/dbraw/zinc/61/51/70/573615170.db2.gz FFKLAQDRRADLSY-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO Cc1cc(C(=O)C[NH3+])c(C)c(C)c1C 258070255 573615262 /nfs/dbraw/zinc/61/52/62/573615262.db2.gz MFRMTMSFAJPPMJ-UHFFFAOYSA-N 1 1 191.274 2.062 10 0 AEAEMO CCCCC[N@H+]1CC[C@H](CO)C1(C)C 259528452 573615357 /nfs/dbraw/zinc/61/53/57/573615357.db2.gz VTEXNGANCKBDNZ-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC(C)(C)[C@@H](O)C[N@H+]1CCC[C@@H]1C 308643282 573615403 /nfs/dbraw/zinc/61/54/03/573615403.db2.gz FFKLAQDRRADLSY-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](C)c1nnc(C[NH2+]C(C)C)o1 50615987 573617496 /nfs/dbraw/zinc/61/74/96/573617496.db2.gz MFDNOIIMBALVON-QMMMGPOBSA-N 1 1 197.282 2.081 10 0 AEAEMO CCCCC[N@H+]1CC[C@@H](CO)C1(C)C 259528456 573617535 /nfs/dbraw/zinc/61/75/35/573617535.db2.gz VTEXNGANCKBDNZ-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CCC(C)(C)[C@H](O)C[N@H+]1CCC[C@H]1C 308643279 573617701 /nfs/dbraw/zinc/61/77/01/573617701.db2.gz FFKLAQDRRADLSY-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO C[N@@H+](CCC1CC1)[C@H]1CCCCC1=O 308642769 573618746 /nfs/dbraw/zinc/61/87/46/573618746.db2.gz FRMQCIYHJKJPKH-NSHDSACASA-N 1 1 195.306 2.230 10 0 AEAEMO C/C=C\c1nnc([C@H]([NH3+])[C@@H](C)CC)o1 393543495 573619164 /nfs/dbraw/zinc/61/91/64/573619164.db2.gz BDXJONAITZNBMQ-JSCIZMSRSA-N 1 1 195.266 2.149 10 0 AEAEMO CN[C@H]1CCC(C)(C)[N@H+](CC(C)C)C1 259530634 573619229 /nfs/dbraw/zinc/61/92/29/573619229.db2.gz VXYQBORMESKVCD-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CN[C@H]1CCC(C)(C)[N@@H+](CC(C)C)C1 259530634 573619237 /nfs/dbraw/zinc/61/92/37/573619237.db2.gz VXYQBORMESKVCD-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CN[C@@H]1CCC(C)(C)[N@H+](CC(C)C)C1 259530629 573619287 /nfs/dbraw/zinc/61/92/87/573619287.db2.gz VXYQBORMESKVCD-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CN[C@@H]1CCC(C)(C)[N@@H+](CC(C)C)C1 259530629 573619293 /nfs/dbraw/zinc/61/92/93/573619293.db2.gz VXYQBORMESKVCD-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(C)(C)[C@H](N)C[N@@H+](C)CC1CC1 308643272 573619376 /nfs/dbraw/zinc/61/93/76/573619376.db2.gz FFCQEJJQGIAWNN-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO C/C=C\c1nnc([C@H]([NH3+])[C@H](C)CC)o1 393543496 573619896 /nfs/dbraw/zinc/61/98/96/573619896.db2.gz BDXJONAITZNBMQ-NOFMJIGPSA-N 1 1 195.266 2.149 10 0 AEAEMO CCCC[C@H](C)[N@H+](C)C1CCNCC1 308644883 573620309 /nfs/dbraw/zinc/62/03/09/573620309.db2.gz GMTVCJLBULHXIM-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@H](C)[N@@H+](C)C1CCNCC1 308644883 573620315 /nfs/dbraw/zinc/62/03/15/573620315.db2.gz GMTVCJLBULHXIM-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(C)(C)C(=O)C[N@H+]1CCC[C@@H]1C 308658658 573620853 /nfs/dbraw/zinc/62/08/53/573620853.db2.gz OTKVEUYVUWGYDM-JTQLQIEISA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(CC)C[N@H+]1CCN[C@@H](C)CC1 130517587 573621258 /nfs/dbraw/zinc/62/12/58/573621258.db2.gz IFXWHWBQXDTICI-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCC(CC)CN1CC[NH2+][C@@H](C)CC1 130517587 573621264 /nfs/dbraw/zinc/62/12/64/573621264.db2.gz IFXWHWBQXDTICI-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CNC(C)(C)C[NH2+][C@H](C)C1CCCC1 308644175 573624432 /nfs/dbraw/zinc/62/44/32/573624432.db2.gz GAZUXJBBFZZGDI-SNVBAGLBSA-N 1 1 198.354 2.153 10 0 AEAEMO CNC(C)(C)C[NH2+][C@@H](C)C1CCCC1 308644174 573625001 /nfs/dbraw/zinc/62/50/01/573625001.db2.gz GAZUXJBBFZZGDI-JTQLQIEISA-N 1 1 198.354 2.153 10 0 AEAEMO C[NH2+]C1(CNC2(C)CC2)CCCCC1 308658376 573625127 /nfs/dbraw/zinc/62/51/27/573625127.db2.gz OPLBCERGXSNZCS-UHFFFAOYSA-N 1 1 196.338 2.051 10 0 AEAEMO C[C@@H](CCN(C)C)[NH2+][C@H]1CC=CCC1 308650239 573626031 /nfs/dbraw/zinc/62/60/31/573626031.db2.gz KAFHEGKXDIAJOQ-RYUDHWBXSA-N 1 1 196.338 2.025 10 0 AEAEMO CC[C@@H](C)[N@H+]1CC[C@H](CO)CC1(C)C 259534822 573626237 /nfs/dbraw/zinc/62/62/37/573626237.db2.gz WGISGIGJQSCGFW-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H](CCN(C)C)[NH2+][C@@H]1CC=CCC1 308650238 573626254 /nfs/dbraw/zinc/62/62/54/573626254.db2.gz KAFHEGKXDIAJOQ-NWDGAFQWSA-N 1 1 196.338 2.025 10 0 AEAEMO C[N@H+]1CCC[C@H](CC(F)(F)F)C1 259532823 573626768 /nfs/dbraw/zinc/62/67/68/573626768.db2.gz WNGDDVYDVUZXDL-SSDOTTSWSA-N 1 1 181.201 2.281 10 0 AEAEMO CC[N@@H+](CC(C)(C)C)[C@@H]1CCC[C@@H]1N 308650081 573626859 /nfs/dbraw/zinc/62/68/59/573626859.db2.gz JPMXSDWTVSSIFA-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCN(CC(C)(C)C)[C@@H]1CCC[C@@H]1[NH3+] 308650081 573626861 /nfs/dbraw/zinc/62/68/61/573626861.db2.gz JPMXSDWTVSSIFA-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](CC(C)(C)C)CC1(N)CCC1 308650105 573628017 /nfs/dbraw/zinc/62/80/17/573628017.db2.gz JQFPKSGMFYIHMW-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CCN(CC(C)(C)C)CC1([NH3+])CCC1 308650105 573628021 /nfs/dbraw/zinc/62/80/21/573628021.db2.gz JQFPKSGMFYIHMW-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@H](CO)CC1(C)C 259534824 573627961 /nfs/dbraw/zinc/62/79/61/573627961.db2.gz WGISGIGJQSCGFW-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H]([NH3+])c1nc(C2CCCC2)co1 259533105 573631296 /nfs/dbraw/zinc/63/12/96/573631296.db2.gz BEOIBFUKONYDEY-SSDOTTSWSA-N 1 1 180.251 2.352 10 0 AEAEMO CC[C@](C)([NH3+])CN1C[C@@H](C)C[C@@H](C)C1 86808862 573631353 /nfs/dbraw/zinc/63/13/53/573631353.db2.gz IZIMRTFZKWVWPG-TUAOUCFPSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@@H](CO)CC1(C)C 259534826 573629629 /nfs/dbraw/zinc/62/96/29/573629629.db2.gz WGISGIGJQSCGFW-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@@H+](CC(C)(C)C)[C@@H]1CCC[C@H]1N 308650076 573630949 /nfs/dbraw/zinc/63/09/49/573630949.db2.gz JPMXSDWTVSSIFA-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CCN(CC(C)(C)C)[C@@H]1CCC[C@H]1[NH3+] 308650076 573630953 /nfs/dbraw/zinc/63/09/53/573630953.db2.gz JPMXSDWTVSSIFA-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@](C)(N)C[N@H+]1C[C@@H](C)C[C@@H](C)C1 86808862 573631348 /nfs/dbraw/zinc/63/13/48/573631348.db2.gz IZIMRTFZKWVWPG-TUAOUCFPSA-N 1 1 198.354 2.092 10 0 AEAEMO COc1ccccc1C(=[NH2+])SC 258826319 573633965 /nfs/dbraw/zinc/63/39/65/573633965.db2.gz URFYBCHZICINBZ-UHFFFAOYSA-N 1 1 181.260 2.384 10 0 AEAEMO C[NH2+]Cc1c[nH]c([C@@H]2CC[C@H](C)C2)n1 83790702 573632945 /nfs/dbraw/zinc/63/29/45/573632945.db2.gz UNHWMUSRGMPXTQ-DTWKUNHWSA-N 1 1 193.294 2.033 10 0 AEAEMO CC[C@@](C)([NH3+])CN1CCC(C)(C)CC1 86810249 573633047 /nfs/dbraw/zinc/63/30/47/573633047.db2.gz RTAFIPNPXGHUKE-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[NH2+][C@@H](C)c1nnc(C(C)(C)C)o1 50618951 573634188 /nfs/dbraw/zinc/63/41/88/573634188.db2.gz IXOLRTPULGSGIK-ZETCQYMHSA-N 1 1 197.282 2.038 10 0 AEAEMO CC[C@](C)([NH3+])CN1CCC(C)(C)CC1 86810248 573633145 /nfs/dbraw/zinc/63/31/45/573633145.db2.gz RTAFIPNPXGHUKE-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCCc1nnc([C@@H](C)[NH2+]C)o1 50618418 573633146 /nfs/dbraw/zinc/63/31/46/573633146.db2.gz OYMNYWBDWQYKME-MRVPVSSYSA-N 1 1 197.282 2.083 10 0 AEAEMO CC[C@@](C)(N)C[N@H+]1CCC[C@H](C)CC1 86810405 573633168 /nfs/dbraw/zinc/63/31/68/573633168.db2.gz PYUBQQSPWRRNRV-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@](C)([NH3+])CN1CCC[C@H](C)CC1 86810405 573633176 /nfs/dbraw/zinc/63/31/76/573633176.db2.gz PYUBQQSPWRRNRV-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO Cc1cscc1-c1cnc(C[NH3+])o1 86826007 573633255 /nfs/dbraw/zinc/63/32/55/573633255.db2.gz PKJNNWPBCUTARV-UHFFFAOYSA-N 1 1 194.259 2.170 10 0 AEAEMO COC(=[NH2+])[C@H]1CC[C@H](C)C1 83789134 573633313 /nfs/dbraw/zinc/63/33/13/573633313.db2.gz ZJCKTOFTGBODMG-BQBZGAKWSA-N 1 1 141.214 2.046 10 0 AEAEMO CCC(CC)c1nnc([C@@H](C)[NH2+]C)o1 50618429 573633474 /nfs/dbraw/zinc/63/34/74/573633474.db2.gz OLHSGPORYUERTG-SSDOTTSWSA-N 1 1 197.282 2.254 10 0 AEAEMO CCC[C@H](C)c1nnc([C@H](C)[NH2+]C)o1 50618522 573633555 /nfs/dbraw/zinc/63/35/55/573633555.db2.gz DELPEIYLJRLUSP-YUMQZZPRSA-N 1 1 197.282 2.254 10 0 AEAEMO CCCCCc1nnc([C@H](C)[NH2+]C)o1 50618419 573633584 /nfs/dbraw/zinc/63/35/84/573633584.db2.gz OYMNYWBDWQYKME-QMMMGPOBSA-N 1 1 197.282 2.083 10 0 AEAEMO Cc1cc(N)nc([C@@H]2CC[C@H](C)C2)[nH+]1 83789674 573633588 /nfs/dbraw/zinc/63/35/88/573633588.db2.gz MOJAFPCIDQCLKO-IONNQARKSA-N 1 1 191.278 2.271 10 0 AEAEMO CCCC[C@H](C)[N@@H+](C)CC(C)(C)N 393544946 573633631 /nfs/dbraw/zinc/63/36/31/573633631.db2.gz DFXJXVGLPXDCQC-JTQLQIEISA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[C@H](C)N(C)CC(C)(C)[NH3+] 393544946 573633638 /nfs/dbraw/zinc/63/36/38/573633638.db2.gz DFXJXVGLPXDCQC-JTQLQIEISA-N 1 1 186.343 2.234 10 0 AEAEMO CC[NH2+][C@H](C)c1nnc(C(C)(C)C)o1 50618952 573633699 /nfs/dbraw/zinc/63/36/99/573633699.db2.gz IXOLRTPULGSGIK-SSDOTTSWSA-N 1 1 197.282 2.038 10 0 AEAEMO CCCCc1nnc([C@H](C)[NH2+]CC)o1 50618868 573633762 /nfs/dbraw/zinc/63/37/62/573633762.db2.gz ZDHVOKPKWNRXNQ-QMMMGPOBSA-N 1 1 197.282 2.083 10 0 AEAEMO CCC([NH3+])(CC)CN1CCCCCC1 86814264 573633842 /nfs/dbraw/zinc/63/38/42/573633842.db2.gz JGYJRINZXCDAQI-UHFFFAOYSA-N 1 1 198.354 2.380 10 0 AEAEMO Cc1cc(N)nc([C@H]2CC[C@@H](C)C2)[nH+]1 83789679 573633910 /nfs/dbraw/zinc/63/39/10/573633910.db2.gz MOJAFPCIDQCLKO-APPZFPTMSA-N 1 1 191.278 2.271 10 0 AEAEMO CC[C@](C)(N)C[N@H+]1CC[C@H](C)C[C@@H]1C 86810155 573633920 /nfs/dbraw/zinc/63/39/20/573633920.db2.gz NZFCWTKIPMTEDZ-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@](C)([NH3+])CN1CC[C@H](C)C[C@@H]1C 86810155 573633924 /nfs/dbraw/zinc/63/39/24/573633924.db2.gz NZFCWTKIPMTEDZ-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@](C)(N)C[N@H+]1[C@@H](C)CCC[C@H]1C 86808907 573634029 /nfs/dbraw/zinc/63/40/29/573634029.db2.gz WAMBGTJEFZNNPW-GRYCIOLGSA-N 1 1 198.354 2.377 10 0 AEAEMO CC[C@@](C)([NH3+])CN1[C@@H](C)CCC[C@H]1C 86808907 573634033 /nfs/dbraw/zinc/63/40/33/573634033.db2.gz WAMBGTJEFZNNPW-GRYCIOLGSA-N 1 1 198.354 2.377 10 0 AEAEMO C[NH2+]Cc1c[nH]c([C@H]2CC[C@@H](C)C2)n1 83790691 573634083 /nfs/dbraw/zinc/63/40/83/573634083.db2.gz UNHWMUSRGMPXTQ-BDAKNGLRSA-N 1 1 193.294 2.033 10 0 AEAEMO CC[C@](C)(N)C[N@H+]1[C@@H](C)CCC[C@H]1C 86808905 573634144 /nfs/dbraw/zinc/63/41/44/573634144.db2.gz WAMBGTJEFZNNPW-TUAOUCFPSA-N 1 1 198.354 2.377 10 0 AEAEMO CC[C@](C)([NH3+])CN1[C@@H](C)CCC[C@H]1C 86808905 573634147 /nfs/dbraw/zinc/63/41/47/573634147.db2.gz WAMBGTJEFZNNPW-TUAOUCFPSA-N 1 1 198.354 2.377 10 0 AEAEMO CCOC(=[NH2+])[C@@H]1CC[C@H](C)C1 83789141 573635168 /nfs/dbraw/zinc/63/51/68/573635168.db2.gz XGYYEUCDSLPAJG-JGVFFNPUSA-N 1 1 155.241 2.436 10 0 AEAEMO CC[NH2+][C@H](C)c1nnc([C@H](C)CC)o1 50618855 573635722 /nfs/dbraw/zinc/63/57/22/573635722.db2.gz VXXMCNRPPHXYDL-HTQZYQBOSA-N 1 1 197.282 2.254 10 0 AEAEMO CCOC(=[NH2+])[C@H]1CC[C@H](C)C1 83789142 573635356 /nfs/dbraw/zinc/63/53/56/573635356.db2.gz XGYYEUCDSLPAJG-YUMQZZPRSA-N 1 1 155.241 2.436 10 0 AEAEMO CC(C)[N@@H+](C)[C@@H]([C@@H](C)N)C(C)(C)C 43291439 573635391 /nfs/dbraw/zinc/63/53/91/573635391.db2.gz QYYGWXUFZWQXIE-ZJUUUORDSA-N 1 1 186.343 2.089 10 0 AEAEMO CC(C)N(C)[C@@H]([C@@H](C)[NH3+])C(C)(C)C 43291439 573635396 /nfs/dbraw/zinc/63/53/96/573635396.db2.gz QYYGWXUFZWQXIE-ZJUUUORDSA-N 1 1 186.343 2.089 10 0 AEAEMO Cc1cc(N)nc([C@@H]2CC[C@@H](C)C2)[nH+]1 83789677 573635542 /nfs/dbraw/zinc/63/55/42/573635542.db2.gz MOJAFPCIDQCLKO-VXNVDRBHSA-N 1 1 191.278 2.271 10 0 AEAEMO COC(=[NH2+])C1Cc2ccccc2C1 83802726 573640006 /nfs/dbraw/zinc/64/00/06/573640006.db2.gz JQSYEJAHYQOOOF-UHFFFAOYSA-N 1 1 175.231 2.025 10 0 AEAEMO CCC[N@@H+](C)[C@H]([C@@H](C)N)C(C)(C)C 43292176 573639411 /nfs/dbraw/zinc/63/94/11/573639411.db2.gz KFGKAAXDLZEQSH-NXEZZACHSA-N 1 1 186.343 2.090 10 0 AEAEMO CCCN(C)[C@H]([C@@H](C)[NH3+])C(C)(C)C 43292176 573639418 /nfs/dbraw/zinc/63/94/18/573639418.db2.gz KFGKAAXDLZEQSH-NXEZZACHSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC(C)(C)C(=O)C[N@H+]1CC[C@H](C)C1 308651812 573639603 /nfs/dbraw/zinc/63/96/03/573639603.db2.gz KQUFDRQNDVQKDR-JTQLQIEISA-N 1 1 197.322 2.334 10 0 AEAEMO COC(=[NH2+])[C@@H]1CCc2ccccc2C1 83802727 573639727 /nfs/dbraw/zinc/63/97/27/573639727.db2.gz IALONJVYCVRYLG-LLVKDONJSA-N 1 1 189.258 2.415 10 0 AEAEMO C[C@@H](CCN(C)C)[NH2+]CCCC1CC1 308652899 573639795 /nfs/dbraw/zinc/63/97/95/573639795.db2.gz LZXRPRZZSAKCGA-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO C[C@H]1CCC[N@@H+]1[C@@H]([C@@H](C)N)C(C)(C)C 43293148 573639891 /nfs/dbraw/zinc/63/98/91/573639891.db2.gz YVQHHZBHSUGOSV-AXFHLTTASA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)N(C)[C@H]1CCCC(C)(C)[C@@H]1[NH3+] 86841899 573644468 /nfs/dbraw/zinc/64/44/68/573644468.db2.gz LFLLQQQDTDEBJR-WDEREUQCSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@H](N)[C@H]([N@H+](C)C1CC1)C(C)(C)C 43292098 573641026 /nfs/dbraw/zinc/64/10/26/573641026.db2.gz QVSPDIBQCBLOEF-QWRGUYRKSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@H](N)[C@H]([N@@H+](C)C1CC1)C(C)(C)C 43292098 573641032 /nfs/dbraw/zinc/64/10/32/573641032.db2.gz QVSPDIBQCBLOEF-QWRGUYRKSA-N 1 1 198.354 2.233 10 0 AEAEMO C[C@H](N)[C@@H]([N@@H+](C)CC1CC1)C(C)(C)C 43293170 573641051 /nfs/dbraw/zinc/64/10/51/573641051.db2.gz NRBDAIOOLMAZQZ-GXSJLCMTSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H](N)[C@H]([N@@H+](C)CC1CC1)C(C)(C)C 43293166 573641086 /nfs/dbraw/zinc/64/10/86/573641086.db2.gz NRBDAIOOLMAZQZ-ONGXEEELSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@@H]1CC[C@H](C(=[NH2+])OC)C1 83802722 573641176 /nfs/dbraw/zinc/64/11/76/573641176.db2.gz FXRJVLURAPZNKT-SFYZADRCSA-N 1 1 155.241 2.436 10 0 AEAEMO CCC(C)(C)C(=O)C[N@H+]1CC[C@@H](C)C1 308651814 573641182 /nfs/dbraw/zinc/64/11/82/573641182.db2.gz KQUFDRQNDVQKDR-SNVBAGLBSA-N 1 1 197.322 2.334 10 0 AEAEMO CC[C@H](C)OCn1c[nH+]c(C)c1C 393545621 573641308 /nfs/dbraw/zinc/64/13/08/573641308.db2.gz FPWGRZYQQKVWGU-QMMMGPOBSA-N 1 1 182.267 2.273 10 0 AEAEMO C[C@H](CCN(C)C)[NH2+]CCCC1CC1 308652898 573641368 /nfs/dbraw/zinc/64/13/68/573641368.db2.gz LZXRPRZZSAKCGA-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC(C)(C)CC[N@@H+](C)CC(C)=O 686239274 573641380 /nfs/dbraw/zinc/64/13/80/573641380.db2.gz UESKVEZLGIURLK-UHFFFAOYSA-N 1 1 185.311 2.334 10 0 AEAEMO CC/C=C/CCC[NH2+]CCCN(C)C 221763123 573641740 /nfs/dbraw/zinc/64/17/40/573641740.db2.gz BZDWAWQQWLNJOO-AATRIKPKSA-N 1 1 198.354 2.274 10 0 AEAEMO CCN(CC)[C@@H]1CCCC(C)(C)[C@H]1[NH3+] 86841828 573641770 /nfs/dbraw/zinc/64/17/70/573641770.db2.gz LNMWPRDVBWJNGO-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]1CC[C@H](c2ncc(C[NH3+])[nH]2)C1 83803550 573641811 /nfs/dbraw/zinc/64/18/11/573641811.db2.gz GIOHJXLXDFYXST-IUCAKERBSA-N 1 1 193.294 2.162 10 0 AEAEMO CCC[N@@H+](C)[C@H]1CCCC(C)(C)[C@@H]1N 86842302 573641839 /nfs/dbraw/zinc/64/18/39/573641839.db2.gz KCMKCPRJCUWQSR-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCN(C)[C@H]1CCCC(C)(C)[C@@H]1[NH3+] 86842302 573641841 /nfs/dbraw/zinc/64/18/41/573641841.db2.gz KCMKCPRJCUWQSR-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[N@@H+](C)[C@@H]1CCCC(C)(C)[C@@H]1O 86846181 573641869 /nfs/dbraw/zinc/64/18/69/573641869.db2.gz HZOUMVZGNVVNEM-GHMZBOCLSA-N 1 1 199.338 2.266 10 0 AEAEMO CCCC[C@@H](C)[N@@H+](C)C[C@@H](N)C1CC1 308652760 573641965 /nfs/dbraw/zinc/64/19/65/573641965.db2.gz LIBSZLNWWKQUQN-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@@H](C)N(C)C[C@@H]([NH3+])C1CC1 308652760 573641971 /nfs/dbraw/zinc/64/19/71/573641971.db2.gz LIBSZLNWWKQUQN-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CCN(CC)[C@@H]1CCCC(C)(C)[C@@H]1[NH3+] 86841822 573641973 /nfs/dbraw/zinc/64/19/73/573641973.db2.gz LNMWPRDVBWJNGO-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](C)[C@@]1(CN)CCCCC1(C)C 86846451 573641993 /nfs/dbraw/zinc/64/19/93/573641993.db2.gz TUAXMEPESLMNPG-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@](C)([C@@H](C)N)[N@@H+](C)CCC1CC1 308651090 573642118 /nfs/dbraw/zinc/64/21/18/573642118.db2.gz KMBZZRZYDSWQKN-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO OCc1ccc2c(c1)[nH]c1cc[nH+]cc12 259536962 573642309 /nfs/dbraw/zinc/64/23/09/573642309.db2.gz SMQPNOWHQKMDAB-UHFFFAOYSA-N 1 1 198.225 2.208 10 0 AEAEMO C[N@@H+](C1CC1)[C@H]1CCCC(C)(C)[C@@H]1O 86846308 573642455 /nfs/dbraw/zinc/64/24/55/573642455.db2.gz CJRBVAWUYRKCIH-WDEREUQCSA-N 1 1 197.322 2.020 10 0 AEAEMO CCC[N@@H+](C)[C@H]1CCCC(C)(C)[C@@H]1O 86846276 573642478 /nfs/dbraw/zinc/64/24/78/573642478.db2.gz NVMZAAKKBKXSGZ-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H]1CC[C@H](c2ncc(C[NH3+])[nH]2)C1 83803548 573642536 /nfs/dbraw/zinc/64/25/36/573642536.db2.gz GIOHJXLXDFYXST-BDAKNGLRSA-N 1 1 193.294 2.162 10 0 AEAEMO CC(C)[N@@H+](C)[C@H]1CCCC(C)(C)[C@@H]1N 86841899 573644465 /nfs/dbraw/zinc/64/44/65/573644465.db2.gz LFLLQQQDTDEBJR-WDEREUQCSA-N 1 1 198.354 2.233 10 0 AEAEMO Cc1[nH+]ccn1-c1ccncc1Cl 86841438 573643667 /nfs/dbraw/zinc/64/36/67/573643667.db2.gz LUOBJIULWGLFQD-UHFFFAOYSA-N 1 1 193.637 2.229 10 0 AEAEMO C[N@@H+](C1CC1)[C@H]1CCCC(C)(C)[C@H]1O 86846305 573643911 /nfs/dbraw/zinc/64/39/11/573643911.db2.gz CJRBVAWUYRKCIH-QWRGUYRKSA-N 1 1 197.322 2.020 10 0 AEAEMO CC[C@@H]1CC[C@@H](c2ncc(C[NH3+])[nH]2)C1 83803552 573643914 /nfs/dbraw/zinc/64/39/14/573643914.db2.gz GIOHJXLXDFYXST-RKDXNWHRSA-N 1 1 193.294 2.162 10 0 AEAEMO CCC[N@@H+](C)[C@@H]1CCCC(C)(C)[C@@H]1O 86846273 573644024 /nfs/dbraw/zinc/64/40/24/573644024.db2.gz NVMZAAKKBKXSGZ-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[N@@H+](C)[C@H]1CCCC(C)(C)[C@@H]1O 86846183 573644370 /nfs/dbraw/zinc/64/43/70/573644370.db2.gz HZOUMVZGNVVNEM-WDEREUQCSA-N 1 1 199.338 2.266 10 0 AEAEMO Cc1[nH+]cc(C(F)F)c(N)c1F 238462798 573644596 /nfs/dbraw/zinc/64/45/96/573644596.db2.gz BAFHXUGQDDOMIY-UHFFFAOYSA-N 1 1 176.141 2.049 10 0 AEAEMO CC[C@H]1CC[C@@H](c2ncc(C[NH3+])[nH]2)C1 83803554 573645027 /nfs/dbraw/zinc/64/50/27/573645027.db2.gz GIOHJXLXDFYXST-DTWKUNHWSA-N 1 1 193.294 2.162 10 0 AEAEMO CC(C)NCC[NH2+][C@@H]1CCCC1(C)C 308654426 573645131 /nfs/dbraw/zinc/64/51/31/573645131.db2.gz NDBQJRQARXTAIL-LLVKDONJSA-N 1 1 198.354 2.153 10 0 AEAEMO CNC(C)(C)C[NH2+][C@@H]1CCC[C@H](C)C1 308653841 573645217 /nfs/dbraw/zinc/64/52/17/573645217.db2.gz MEFJFLILUGCADY-WDEREUQCSA-N 1 1 198.354 2.153 10 0 AEAEMO CC(C)[N@@H+](C)[C@@H]1CCCC(C)(C)[C@@H]1N 86841895 573645439 /nfs/dbraw/zinc/64/54/39/573645439.db2.gz LFLLQQQDTDEBJR-GHMZBOCLSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)N(C)[C@@H]1CCCC(C)(C)[C@@H]1[NH3+] 86841895 573645447 /nfs/dbraw/zinc/64/54/47/573645447.db2.gz LFLLQQQDTDEBJR-GHMZBOCLSA-N 1 1 198.354 2.233 10 0 AEAEMO CCC[N@@H+](C)[C@@H]1CCCC(C)(C)[C@@H]1N 86842299 573645822 /nfs/dbraw/zinc/64/58/22/573645822.db2.gz KCMKCPRJCUWQSR-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCN(C)[C@@H]1CCCC(C)(C)[C@@H]1[NH3+] 86842299 573645828 /nfs/dbraw/zinc/64/58/28/573645828.db2.gz KCMKCPRJCUWQSR-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CCN(CC)[C@H]1CCCC(C)(C)[C@H]1[NH3+] 86841830 573646717 /nfs/dbraw/zinc/64/67/17/573646717.db2.gz LNMWPRDVBWJNGO-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO CCN(CC)[C@H]1CCCC(C)(C)[C@@H]1[NH3+] 86841825 573646146 /nfs/dbraw/zinc/64/61/46/573646146.db2.gz LNMWPRDVBWJNGO-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(=O)CC[N@@H+](C)CCC1CCCC1 258835287 573646688 /nfs/dbraw/zinc/64/66/88/573646688.db2.gz BRWZBDXRKWCUAF-UHFFFAOYSA-N 1 1 197.322 2.478 10 0 AEAEMO CC(C)NCC[NH2+][C@H]1CCCC1(C)C 308654427 573646806 /nfs/dbraw/zinc/64/68/06/573646806.db2.gz NDBQJRQARXTAIL-NSHDSACASA-N 1 1 198.354 2.153 10 0 AEAEMO CC[N@@H+](C)[C@]1(CN)CCCCC1(C)C 86846447 573646976 /nfs/dbraw/zinc/64/69/76/573646976.db2.gz TUAXMEPESLMNPG-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[N@@H+](C)C[C@H]1CCCC(C)(C)[C@@H]1O 86851068 573650146 /nfs/dbraw/zinc/65/01/46/573650146.db2.gz KXCNUZPXBDDGAC-GHMZBOCLSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[N@@H+](C)C[C@@H]1CCCC(C)(C)[C@@H]1O 86851066 573650438 /nfs/dbraw/zinc/65/04/38/573650438.db2.gz KXCNUZPXBDDGAC-WDEREUQCSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[N@@H+](C)C[C@@H]1CCCC(C)(C)C1=O 86850735 573650740 /nfs/dbraw/zinc/65/07/40/573650740.db2.gz MFGXJYFSXQYDCT-JTQLQIEISA-N 1 1 197.322 2.334 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@@H](C)CNC(C)(C)C1 251775298 573652493 /nfs/dbraw/zinc/65/24/93/573652493.db2.gz IREYQMWADDKPSW-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[N@@H+](C)[C@@H]1CCC(C)(C)[C@@H]1N 86856175 573653800 /nfs/dbraw/zinc/65/38/00/573653800.db2.gz ZKHHBVOWENYMJJ-GHMZBOCLSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@@H](C)[N@H+]1C[C@@H](C)CNC(C)(C)C1 251775300 573654336 /nfs/dbraw/zinc/65/43/36/573654336.db2.gz IREYQMWADDKPSW-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[N@@H+](C)[C@@]1(CN)CCCC1(C)C 86865509 573660026 /nfs/dbraw/zinc/66/00/26/573660026.db2.gz IZFYBLIETFNBJC-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](C(C)C)[C@@H]1CCC(C)(C)[C@@H]1O 86866179 573660278 /nfs/dbraw/zinc/66/02/78/573660278.db2.gz VSEINMXKCZWRIE-GHMZBOCLSA-N 1 1 199.338 2.266 10 0 AEAEMO CC[N@@H+](C(C)C)[C@H]1CCC(C)(C)[C@@H]1O 86866180 573660412 /nfs/dbraw/zinc/66/04/12/573660412.db2.gz VSEINMXKCZWRIE-WDEREUQCSA-N 1 1 199.338 2.266 10 0 AEAEMO CC[NH+](CC)[C@H](C)c1ccc(CN)o1 257842232 573660626 /nfs/dbraw/zinc/66/06/26/573660626.db2.gz MQWNVUQLDDUHTR-SECBINFHSA-N 1 1 196.294 2.141 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@H]1CCC(C)(C)[C@@H]1O 86866164 573661663 /nfs/dbraw/zinc/66/16/63/573661663.db2.gz WWRDHCQDXLTISZ-HBNTYKKESA-N 1 1 199.338 2.266 10 0 AEAEMO CC(C)C[N@@H+](C)[C@H]1CCC(C)(C)[C@@H]1O 86866198 573661796 /nfs/dbraw/zinc/66/17/96/573661796.db2.gz UMWWVAHTZDEVRN-WDEREUQCSA-N 1 1 199.338 2.124 10 0 AEAEMO CC[N@@H+](C1CC1)[C@H]1CCC(C)(C)[C@@H]1O 86866176 573661836 /nfs/dbraw/zinc/66/18/36/573661836.db2.gz KILPIRNYZQGTRC-WDEREUQCSA-N 1 1 197.322 2.020 10 0 AEAEMO CC[C@H](C)[C@H](O)C[N@@H+](C)CCC1CC1 308664087 573662020 /nfs/dbraw/zinc/66/20/20/573662020.db2.gz RLPAPMOZDMDUCN-CMPLNLGQSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H](C)[C@@H](O)C[N@@H+](C)CCC1CC1 308664091 573662069 /nfs/dbraw/zinc/66/20/69/573662069.db2.gz RLPAPMOZDMDUCN-PWSUYJOCSA-N 1 1 199.338 2.125 10 0 AEAEMO CC1=CNC(OC(C)(C)C)=[NH+]C=C1 238472211 573662232 /nfs/dbraw/zinc/66/22/32/573662232.db2.gz MHSOAHMLMUBJQH-UHFFFAOYSA-N 1 1 180.251 2.178 10 0 AEAEMO CCCC[N@H+]1CC[C@H](O)CC1(C)C 258853897 573662344 /nfs/dbraw/zinc/66/23/44/573662344.db2.gz QTXQJMKHXVCHJU-JTQLQIEISA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@@H](C)[C@H]([NH3+])CN(C)CCC1CC1 308664278 573662457 /nfs/dbraw/zinc/66/24/57/573662457.db2.gz ROBXMCVCVIXINM-ZYHUDNBSSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](C)[C@H](N)C[N@H+](C)CCC1CC1 308664278 573662463 /nfs/dbraw/zinc/66/24/63/573662463.db2.gz ROBXMCVCVIXINM-ZYHUDNBSSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](C)[C@H](N)C[N@@H+](C)CCC1CC1 308664278 573662468 /nfs/dbraw/zinc/66/24/68/573662468.db2.gz ROBXMCVCVIXINM-ZYHUDNBSSA-N 1 1 198.354 2.092 10 0 AEAEMO CN(C)C(C)(C)[C@@H]([NH3+])c1ccccc1 83824583 573664787 /nfs/dbraw/zinc/66/47/87/573664787.db2.gz POIHZKRAEGEBRP-NSHDSACASA-N 1 1 192.306 2.027 10 0 AEAEMO Cc1ccn2c(C)c(C)[nH+]c2c1 107875669 573665804 /nfs/dbraw/zinc/66/58/04/573665804.db2.gz RAWGAKUTVXPVOX-UHFFFAOYSA-N 1 1 160.220 2.260 10 0 AEAEMO Cn1c2ccccc2c2cc[nH+]c(N)c21 257844356 573665805 /nfs/dbraw/zinc/66/58/05/573665805.db2.gz CQRCQZFYBNBOCR-UHFFFAOYSA-N 1 1 197.241 2.309 10 0 AEAEMO C[N@@H+](C[C@@H]1CCC(C)(C)C1=O)C1CC1 86870786 573665922 /nfs/dbraw/zinc/66/59/22/573665922.db2.gz NXZTVPYXYCOLQX-VIFPVBQESA-N 1 1 195.306 2.086 10 0 AEAEMO CC(C)[N@@H+](C)C[C@@H]1CCC(C)(C)C1=O 86870737 573666019 /nfs/dbraw/zinc/66/60/19/573666019.db2.gz ZEGYPXYVLNJANO-JTQLQIEISA-N 1 1 197.322 2.332 10 0 AEAEMO CC(C)[N@@H+](C)C[C@@H]1CCC(C)(C)[C@@H]1O 86871855 573666046 /nfs/dbraw/zinc/66/60/46/573666046.db2.gz IJABZUNVONYVEP-WDEREUQCSA-N 1 1 199.338 2.124 10 0 AEAEMO CC(C)[N@@H+](C)C[C@H]1CCC(C)(C)[C@@H]1O 86871858 573666398 /nfs/dbraw/zinc/66/63/98/573666398.db2.gz IJABZUNVONYVEP-GHMZBOCLSA-N 1 1 199.338 2.124 10 0 AEAEMO C[N@@H+](CCC1CC1)[C@@H]1CCCC(=O)C1 308661438 573666775 /nfs/dbraw/zinc/66/67/75/573666775.db2.gz QDNXPTGNKVYUJY-LLVKDONJSA-N 1 1 195.306 2.230 10 0 AEAEMO CN(C)C(C)(C)[C@H]([NH3+])c1ccccc1 83824582 573666821 /nfs/dbraw/zinc/66/68/21/573666821.db2.gz POIHZKRAEGEBRP-LLVKDONJSA-N 1 1 192.306 2.027 10 0 AEAEMO CC(C)[N@@H+](C)C[C@H]1CCC(C)(C)C1=O 86870738 573666893 /nfs/dbraw/zinc/66/68/93/573666893.db2.gz ZEGYPXYVLNJANO-SNVBAGLBSA-N 1 1 197.322 2.332 10 0 AEAEMO CCCCC[C@]1(O)CCC[N@@H+](C)C1 126751595 573669833 /nfs/dbraw/zinc/66/98/33/573669833.db2.gz CAARFALQABADHZ-NSHDSACASA-N 1 1 185.311 2.023 10 0 AEAEMO CC(C)CCC[N@@H+](C)[C@@H](CN)C1CC1 126762325 573669803 /nfs/dbraw/zinc/66/98/03/573669803.db2.gz WSECJVXLIJOBMR-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)CCCN(C)[C@@H](C[NH3+])C1CC1 126762325 573669809 /nfs/dbraw/zinc/66/98/09/573669809.db2.gz WSECJVXLIJOBMR-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO Cc1cccn2c3c([nH+]c12)CCC3 107875810 573669858 /nfs/dbraw/zinc/66/98/58/573669858.db2.gz UGDITDXJEVAYIH-UHFFFAOYSA-N 1 1 172.231 2.131 10 0 AEAEMO C[N@@H+](CC1CC1)C[C@@H]1CCC=CO1 308412675 573670505 /nfs/dbraw/zinc/67/05/05/573670505.db2.gz MDPKRXFEGPFGLP-NSHDSACASA-N 1 1 181.279 2.021 10 0 AEAEMO CC[C@H]([NH3+])c1nc(CCC(C)C)no1 43373752 573670511 /nfs/dbraw/zinc/67/05/11/573670511.db2.gz OOXHSOIPEITBQI-QMMMGPOBSA-N 1 1 197.282 2.068 10 0 AEAEMO C[N@@H+](CCC1CC1)[C@H]1CCCC(=O)C1 308661439 573670649 /nfs/dbraw/zinc/67/06/49/573670649.db2.gz QDNXPTGNKVYUJY-NSHDSACASA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@H]1c2ccc(C[NH3+])cc2[C@@H](C)[N@@H+]1C 107928435 573670739 /nfs/dbraw/zinc/67/07/39/573670739.db2.gz GGXZJRMLFLKEJI-DTWKUNHWSA-N 1 1 190.290 2.213 10 0 AEAEMO CCCCC[C@@]1(O)CCC[N@@H+](C)C1 126751854 573671256 /nfs/dbraw/zinc/67/12/56/573671256.db2.gz CAARFALQABADHZ-LLVKDONJSA-N 1 1 185.311 2.023 10 0 AEAEMO CCc1[nH+]ccn1-c1cccc(N)c1 83825431 573671425 /nfs/dbraw/zinc/67/14/25/573671425.db2.gz CLDQAEPRLSAVHZ-UHFFFAOYSA-N 1 1 187.246 2.017 10 0 AEAEMO CCC[N@@H+]([C@H]1CCC[C@H]1O)C(C)(C)C 308411059 573671592 /nfs/dbraw/zinc/67/15/92/573671592.db2.gz GWUZFDQYFKENPI-WDEREUQCSA-N 1 1 199.338 2.410 10 0 AEAEMO CC1(C)CCCC[C@@H]1[N@@H+]1CCC(=O)C1 86875413 573671690 /nfs/dbraw/zinc/67/16/90/573671690.db2.gz ALJLGVUKZBCPIH-NSHDSACASA-N 1 1 195.306 2.230 10 0 AEAEMO CC1(C)CCCC[C@@H]1[N@H+]1CCC(=O)C1 86875413 573671695 /nfs/dbraw/zinc/67/16/95/573671695.db2.gz ALJLGVUKZBCPIH-NSHDSACASA-N 1 1 195.306 2.230 10 0 AEAEMO CCC[N@@H+]([C@@H]1CCC[C@H]1O)C(C)(C)C 308411056 573671702 /nfs/dbraw/zinc/67/17/02/573671702.db2.gz GWUZFDQYFKENPI-GHMZBOCLSA-N 1 1 199.338 2.410 10 0 AEAEMO C[C@H]1c2cc(C[NH3+])ccc2[C@@H](C)[N@H+]1C 107928426 573671956 /nfs/dbraw/zinc/67/19/56/573671956.db2.gz GGXZJRMLFLKEJI-BDAKNGLRSA-N 1 1 190.290 2.213 10 0 AEAEMO C[C@@H]1C[C@@H]2Nc3ccccc3C[N@H+]2C1 238467319 573672013 /nfs/dbraw/zinc/67/20/13/573672013.db2.gz FQKZSMXASYIHKA-BXKDBHETSA-N 1 1 188.274 2.280 10 0 AEAEMO CC[N@H+]1CCCC[C@H]1CC1(O)CCC1 258078713 573672039 /nfs/dbraw/zinc/67/20/39/573672039.db2.gz QVHQENYXUPSWEV-NSHDSACASA-N 1 1 197.322 2.166 10 0 AEAEMO CCCCC[N@@H+](C)C[C@@H](CC)CO 258871827 573672054 /nfs/dbraw/zinc/67/20/54/573672054.db2.gz BJQDEWZEEYMGJH-LLVKDONJSA-N 1 1 187.327 2.127 10 0 AEAEMO CC1(C)CCCC[C@H]1[N@@H+]1CCC(=O)C1 86875416 573672128 /nfs/dbraw/zinc/67/21/28/573672128.db2.gz ALJLGVUKZBCPIH-LLVKDONJSA-N 1 1 195.306 2.230 10 0 AEAEMO CC1(C)CCCC[C@H]1[N@H+]1CCC(=O)C1 86875416 573672137 /nfs/dbraw/zinc/67/21/37/573672137.db2.gz ALJLGVUKZBCPIH-LLVKDONJSA-N 1 1 195.306 2.230 10 0 AEAEMO C[N@@H+](CC1(N)CC1)C1CCCCCC1 83836872 573676315 /nfs/dbraw/zinc/67/63/15/573676315.db2.gz OFSCJHFRIYHVGK-UHFFFAOYSA-N 1 1 196.338 2.132 10 0 AEAEMO CCC[N@@H+]([C@@H]1CCC[C@@H]1O)C(C)(C)C 308411057 573673214 /nfs/dbraw/zinc/67/32/14/573673214.db2.gz GWUZFDQYFKENPI-MNOVXSKESA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[N@@H+]([C@H]1CCC[C@@H]1O)C(C)(C)C 308411058 573673468 /nfs/dbraw/zinc/67/34/68/573673468.db2.gz GWUZFDQYFKENPI-QWRGUYRKSA-N 1 1 199.338 2.410 10 0 AEAEMO CC1(C)C(=O)CC[N@@H+]1CC1CCCC1 258867724 573673469 /nfs/dbraw/zinc/67/34/69/573673469.db2.gz RUAXEMBZFFQLMS-UHFFFAOYSA-N 1 1 195.306 2.230 10 0 AEAEMO CCCCC[N@@H+](C)C[C@H](CC)CO 258871829 573673519 /nfs/dbraw/zinc/67/35/19/573673519.db2.gz BJQDEWZEEYMGJH-NSHDSACASA-N 1 1 187.327 2.127 10 0 AEAEMO C[N@@H+](CC1CC1)C[C@H]1CCC=CO1 308412674 573673849 /nfs/dbraw/zinc/67/38/49/573673849.db2.gz MDPKRXFEGPFGLP-LLVKDONJSA-N 1 1 181.279 2.021 10 0 AEAEMO CC(C)C[N@H+]1CCCC(=O)C1(C)C 258867354 573673913 /nfs/dbraw/zinc/67/39/13/573673913.db2.gz RRFUJUAAAXXYAA-UHFFFAOYSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)CC[N@H+]1CCC(=O)CC1(C)C 258867851 573673930 /nfs/dbraw/zinc/67/39/30/573673930.db2.gz RUYJAVVEYABIML-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@@H]1/C=C\CCO 258078581 573673999 /nfs/dbraw/zinc/67/39/99/573673999.db2.gz FSTPBAOUGCLYMT-HXUAIIEXSA-N 1 1 197.322 2.188 10 0 AEAEMO CC(C)CC[N@@H+]1CC(=O)CC1(C)C 258870092 573674192 /nfs/dbraw/zinc/67/41/92/573674192.db2.gz RXYWQADNZVTXCK-UHFFFAOYSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)CC[N@H+]1CC(=O)CC1(C)C 258870092 573674199 /nfs/dbraw/zinc/67/41/99/573674199.db2.gz RXYWQADNZVTXCK-UHFFFAOYSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@@H]([NH3+])c1nc(CCC(C)C)no1 43373754 573674317 /nfs/dbraw/zinc/67/43/17/573674317.db2.gz OOXHSOIPEITBQI-MRVPVSSYSA-N 1 1 197.282 2.068 10 0 AEAEMO CCCCCc1[nH]c(N)[nH+]c1C 258867293 573674643 /nfs/dbraw/zinc/67/46/43/573674643.db2.gz RQJSRCZQMZHLMM-UHFFFAOYSA-N 1 1 167.256 2.033 10 0 AEAEMO C[C@H]([NH3+])c1[nH]ncc1C1CCCC1 257846401 573674835 /nfs/dbraw/zinc/67/48/35/573674835.db2.gz QDHGVJYUOBVWFV-ZETCQYMHSA-N 1 1 179.267 2.087 10 0 AEAEMO CC(C)CC[N@@H+](C)CC1(CO)CCC1 258866247 573675463 /nfs/dbraw/zinc/67/54/63/573675463.db2.gz AXYQXTCSUIWQML-UHFFFAOYSA-N 1 1 199.338 2.127 10 0 AEAEMO C[C@@H]1c2ccc(C[NH3+])cc2[C@@H](C)[N@@H+]1C 107928432 573674927 /nfs/dbraw/zinc/67/49/27/573674927.db2.gz GGXZJRMLFLKEJI-RKDXNWHRSA-N 1 1 190.290 2.213 10 0 AEAEMO CC(C)[C@H](CN)[N@@H+](C)CCC1CCC1 258873958 573676403 /nfs/dbraw/zinc/67/64/03/573676403.db2.gz PKQGSHVDKSMTOH-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)[C@@H](CN)[N@@H+](C)CCC1CCC1 258873955 573675149 /nfs/dbraw/zinc/67/51/49/573675149.db2.gz PKQGSHVDKSMTOH-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1c2ccc(C[NH3+])cc2[C@H](C)[N@@H+]1C 107928429 573675262 /nfs/dbraw/zinc/67/52/62/573675262.db2.gz GGXZJRMLFLKEJI-IUCAKERBSA-N 1 1 190.290 2.213 10 0 AEAEMO CCCC[N@@H+]1CCC(C)(C)C(=O)C1 258872886 573676416 /nfs/dbraw/zinc/67/64/16/573676416.db2.gz SBGUKVWPPKGHOC-UHFFFAOYSA-N 1 1 183.295 2.088 10 0 AEAEMO CCCC[N@H+]1CCC(C)(C)C(=O)C1 258872886 573676423 /nfs/dbraw/zinc/67/64/23/573676423.db2.gz SBGUKVWPPKGHOC-UHFFFAOYSA-N 1 1 183.295 2.088 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCC(C)(C)[C@@H](CO)C1 259157268 573677473 /nfs/dbraw/zinc/67/74/73/573677473.db2.gz FSRLQPHMRWGEBW-GHMZBOCLSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(=O)[C@H]1CCCC[N@H+]1CC1CCC1 83839054 573677838 /nfs/dbraw/zinc/67/78/38/573677838.db2.gz AFKPDWWHKVHDNJ-GFCCVEGCSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC(CC)[C@H](C)[NH2+][C@@H](C)[C@@H](C)N 393548069 573678026 /nfs/dbraw/zinc/67/80/26/573678026.db2.gz KKIJFVRBLVOKGU-UTLUCORTSA-N 1 1 186.343 2.136 10 0 AEAEMO CC(=O)[C@H]1CCC[N@@H+](CC2CCC2)C1 83839049 573678472 /nfs/dbraw/zinc/67/84/72/573678472.db2.gz JRQLTAZHWIKWLF-LBPRGKRZSA-N 1 1 195.306 2.088 10 0 AEAEMO CC[C@@H](CO)C[N@@H+](C)C1CCCCC1 258877201 573680244 /nfs/dbraw/zinc/68/02/44/573680244.db2.gz BTCATJGSBCBNRA-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC(CC)[C@H](C)[NH2+][C@H](C)[C@H](C)N 393548066 573680595 /nfs/dbraw/zinc/68/05/95/573680595.db2.gz KKIJFVRBLVOKGU-AEJSXWLSSA-N 1 1 186.343 2.136 10 0 AEAEMO C[C@@H]1C[C@H]2Nc3ccccc3C[N@H+]2C1 238468917 573680624 /nfs/dbraw/zinc/68/06/24/573680624.db2.gz FQKZSMXASYIHKA-SKDRFNHKSA-N 1 1 188.274 2.280 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCC(C)(C)[C@H](CO)C1 259157270 573680812 /nfs/dbraw/zinc/68/08/12/573680812.db2.gz FSRLQPHMRWGEBW-MNOVXSKESA-N 1 1 199.338 2.125 10 0 AEAEMO CO[C@@H](C)[C@@H](C)[N@@H+](C)CCC(C)C 308415822 573680886 /nfs/dbraw/zinc/68/08/86/573680886.db2.gz NFBJSQUMNDEDMW-MNOVXSKESA-N 1 1 187.327 2.388 10 0 AEAEMO Cc1ccc(OCC2CCC2)c(N)[nH+]1 83837893 573681193 /nfs/dbraw/zinc/68/11/93/573681193.db2.gz FHOYPHYSNMSDBX-UHFFFAOYSA-N 1 1 192.262 2.151 10 0 AEAEMO CC[C@H]1C[C@@H](C)C[N@H+]1CC(C)(C)CO 308415740 573683876 /nfs/dbraw/zinc/68/38/76/573683876.db2.gz KLJHXVPIKPFDTC-MNOVXSKESA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC(C)(C)[C@H](CO)C1 259157272 573683401 /nfs/dbraw/zinc/68/34/01/573683401.db2.gz FSRLQPHMRWGEBW-QWRGUYRKSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H]1C[C@@H](C)C[N@H+]1CC(C)(C)CO 308415739 573683442 /nfs/dbraw/zinc/68/34/42/573683442.db2.gz KLJHXVPIKPFDTC-GHMZBOCLSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H]1C[C@H](C)C[N@H+]1CC(C)(C)CO 308415741 573683612 /nfs/dbraw/zinc/68/36/12/573683612.db2.gz KLJHXVPIKPFDTC-QWRGUYRKSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC(C)(C)[C@@H](CO)C1 259157274 573684051 /nfs/dbraw/zinc/68/40/51/573684051.db2.gz FSRLQPHMRWGEBW-WDEREUQCSA-N 1 1 199.338 2.125 10 0 AEAEMO C[N@H+](CCC(C)(C)C)CC1(CN)CC1 258880176 573684184 /nfs/dbraw/zinc/68/41/84/573684184.db2.gz IWWVPUQODYAONE-UHFFFAOYSA-N 1 1 198.354 2.093 10 0 AEAEMO C[N@@H+](CCC(C)(C)C)CC1(CN)CC1 258880176 573684191 /nfs/dbraw/zinc/68/41/91/573684191.db2.gz IWWVPUQODYAONE-UHFFFAOYSA-N 1 1 198.354 2.093 10 0 AEAEMO C[C@@H](O)CCCC[N@@H+](C)CCC1CC1 308667994 573684431 /nfs/dbraw/zinc/68/44/31/573684431.db2.gz UFKSUQLSFCVHSK-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)[C@@](C)(O)C[N@@H+](C)CCC1CC1 308672575 573684592 /nfs/dbraw/zinc/68/45/92/573684592.db2.gz VMMRPBWTQSDXEW-LBPRGKRZSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)(CO)C[N@H+]1CCC12CCCC2 687984621 573684600 /nfs/dbraw/zinc/68/46/00/573684600.db2.gz YGWJLYFRNXAJPO-UHFFFAOYSA-N 1 1 197.322 2.023 10 0 AEAEMO CC(C)C[C@@H](C)[N@H+]1CCNCC1(C)C 83842396 573684742 /nfs/dbraw/zinc/68/47/42/573684742.db2.gz QUPHQBGYFCZHRP-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO C[NH2+][C@H](c1ccc(C)c(C)c1)N(C)C 259557400 573687246 /nfs/dbraw/zinc/68/72/46/573687246.db2.gz OOJPNZVCLJGUCZ-LBPRGKRZSA-N 1 1 192.306 2.083 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CCNCC1(C)C 83842397 573687067 /nfs/dbraw/zinc/68/70/67/573687067.db2.gz QUPHQBGYFCZHRP-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO C[NH2+][C@@H]1CCN(CCC(C)C)C1(C)C 259159620 573688554 /nfs/dbraw/zinc/68/85/54/573688554.db2.gz ACKOGQAYRZPVFN-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@@H+](C)[C@@H](CC)[C@H]1CCOC1 308421240 573688986 /nfs/dbraw/zinc/68/89/86/573688986.db2.gz OVDAGZWISKLHLB-QWRGUYRKSA-N 1 1 185.311 2.143 10 0 AEAEMO CC1(C)CC[N@H+](C2CCCC2)C[C@H]1O 259157458 573689232 /nfs/dbraw/zinc/68/92/32/573689232.db2.gz FWUULQHSMXXLNC-LLVKDONJSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCC[N@@H+]1CCCC(=O)C1(C)C 258880621 573689821 /nfs/dbraw/zinc/68/98/21/573689821.db2.gz SOFIBXCVIYOUQE-UHFFFAOYSA-N 1 1 183.295 2.230 10 0 AEAEMO CCCC[N@H+]1CCCC(=O)C1(C)C 258880621 573689826 /nfs/dbraw/zinc/68/98/26/573689826.db2.gz SOFIBXCVIYOUQE-UHFFFAOYSA-N 1 1 183.295 2.230 10 0 AEAEMO CC[C@](C)(CO)C[N@@H+](C)CCC1CC1 308678537 573690102 /nfs/dbraw/zinc/69/01/02/573690102.db2.gz WYTMWDNGXXCRFD-LBPRGKRZSA-N 1 1 199.338 2.127 10 0 AEAEMO CCC[N@@H+](C)[C@H](CC)[C@@H]1CCOC1 308421229 573690390 /nfs/dbraw/zinc/69/03/90/573690390.db2.gz OVDAGZWISKLHLB-GHMZBOCLSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@@](C)(C(C)=O)[N@@H+](C)CCC1CC1 308674674 573690431 /nfs/dbraw/zinc/69/04/31/573690431.db2.gz VVGJYYXMECPCGL-LBPRGKRZSA-N 1 1 197.322 2.476 10 0 AEAEMO CCc1nc([C@@H]2CC[N@@H+](C)C2)cs1 259164577 573692922 /nfs/dbraw/zinc/69/29/22/573692922.db2.gz FUFXVOAWPGKVTH-MRVPVSSYSA-N 1 1 196.319 2.125 10 0 AEAEMO CCc1nc([C@H]2CC[N@@H+](C)C2)cs1 259164579 573692677 /nfs/dbraw/zinc/69/26/77/573692677.db2.gz FUFXVOAWPGKVTH-QMMMGPOBSA-N 1 1 196.319 2.125 10 0 AEAEMO COC[C@H](C)C[N@@H+](C)CC=C(C)C 308419697 573692765 /nfs/dbraw/zinc/69/27/65/573692765.db2.gz OHMBPLHMMVBZCH-LLVKDONJSA-N 1 1 185.311 2.167 10 0 AEAEMO COC[C@@H](C)C[N@@H+](C)CC=C(C)C 308419700 573694432 /nfs/dbraw/zinc/69/44/32/573694432.db2.gz OHMBPLHMMVBZCH-NSHDSACASA-N 1 1 185.311 2.167 10 0 AEAEMO CC[C@H](F)C[N@H+]1CC[C@@H](C(F)F)C1 308419105 573694221 /nfs/dbraw/zinc/69/42/21/573694221.db2.gz OCJMRNXLZSSRAV-SFYZADRCSA-N 1 1 195.228 2.322 10 0 AEAEMO CNC(C)(C)[C@@H]([NH2+]C)c1cccs1 259161365 573694125 /nfs/dbraw/zinc/69/41/25/573694125.db2.gz CWGYPFHEIYJZLG-VIFPVBQESA-N 1 1 198.335 2.007 10 0 AEAEMO CC[C@@H](F)C[N@H+]1CC[C@H](C(F)F)C1 308419104 573694175 /nfs/dbraw/zinc/69/41/75/573694175.db2.gz OCJMRNXLZSSRAV-JGVFFNPUSA-N 1 1 195.228 2.322 10 0 AEAEMO CNC(C)(C)[C@H]([NH2+]C)c1cccs1 259161362 573694424 /nfs/dbraw/zinc/69/44/24/573694424.db2.gz CWGYPFHEIYJZLG-SECBINFHSA-N 1 1 198.335 2.007 10 0 AEAEMO CCCCC[N@H+]1CCC(C)(C)[C@@H](O)C1 259164037 573695229 /nfs/dbraw/zinc/69/52/29/573695229.db2.gz GFWCEKOLPOTDDQ-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO C[C@H]1CC[C@@H](C)N1c1ccc(N)c[nH+]1 238480977 573695268 /nfs/dbraw/zinc/69/52/68/573695268.db2.gz XNRLKWOLLPIQJI-DTORHVGOSA-N 1 1 191.278 2.041 10 0 AEAEMO C[C@@H]1CC[C@@H]2[C@@H](C1)[N@H+](C)OC2(C)C 197463962 573695558 /nfs/dbraw/zinc/69/55/58/573695558.db2.gz ROONJDRBOVFSCQ-OPRDCNLKSA-N 1 1 183.295 2.447 10 0 AEAEMO C[C@@H]1CC[C@@H]2[C@@H](C1)[N@@H+](C)OC2(C)C 197463962 573695562 /nfs/dbraw/zinc/69/55/62/573695562.db2.gz ROONJDRBOVFSCQ-OPRDCNLKSA-N 1 1 183.295 2.447 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC(=O)C(C)(C)C1 259166242 573699432 /nfs/dbraw/zinc/69/94/32/573699432.db2.gz GKGWIULZXHOYCZ-VIFPVBQESA-N 1 1 183.295 2.086 10 0 AEAEMO CSCC[C@H](C)[N@@H+](C)C1CC1 393588971 573699709 /nfs/dbraw/zinc/69/97/09/573699709.db2.gz NGTTXKVJMQFGJJ-QMMMGPOBSA-N 1 1 173.325 2.222 10 0 AEAEMO CSCC[C@@H](C)[N@@H+](C)C1CC1 393588970 573701002 /nfs/dbraw/zinc/70/10/02/573701002.db2.gz NGTTXKVJMQFGJJ-MRVPVSSYSA-N 1 1 173.325 2.222 10 0 AEAEMO Nc1[nH+]ccc2c1[nH]c1cc(O)ccc12 258099745 573701612 /nfs/dbraw/zinc/70/16/12/573701612.db2.gz NVWDQHDWCJAMLW-UHFFFAOYSA-N 1 1 199.213 2.004 10 0 AEAEMO CO[C@@H](C)[C@@H](C)[N@@H+](C)CC1CCC1 308425092 573702236 /nfs/dbraw/zinc/70/22/36/573702236.db2.gz QPSGCFMXEZKWGB-ZJUUUORDSA-N 1 1 185.311 2.142 10 0 AEAEMO CO[C@H](C)[C@@H](C)[N@@H+](C)CC1CCC1 308425087 573702256 /nfs/dbraw/zinc/70/22/56/573702256.db2.gz QPSGCFMXEZKWGB-NXEZZACHSA-N 1 1 185.311 2.142 10 0 AEAEMO Cc1[nH+]c(C(C)C)n(C)c1C 75839058 573705120 /nfs/dbraw/zinc/70/51/20/573705120.db2.gz DPCQIVVULUEETG-UHFFFAOYSA-N 1 1 152.241 2.160 10 0 AEAEMO FC(F)(F)[C@@H]1C[NH2+]Cc2ccoc21 257849654 573705236 /nfs/dbraw/zinc/70/52/36/573705236.db2.gz OLDFQZJMTOZHKT-ZCFIWIBFSA-N 1 1 191.152 2.029 10 0 AEAEMO Cc1ccc(Cl)c2[nH]c(N)[nH+]c12 238484073 573705309 /nfs/dbraw/zinc/70/53/09/573705309.db2.gz QJFJERPPXMQSGR-UHFFFAOYSA-N 1 1 181.626 2.107 10 0 AEAEMO Cc1nc2cccc(C(C)(C)O)c2[nH]1 258100858 573705357 /nfs/dbraw/zinc/70/53/57/573705357.db2.gz ORZQCCFHPWDUEU-UHFFFAOYSA-N 1 1 190.246 2.099 10 0 AEAEMO FC(F)(F)[C@H]1C[NH2+]Cc2ccoc21 257849653 573705580 /nfs/dbraw/zinc/70/55/80/573705580.db2.gz OLDFQZJMTOZHKT-LURJTMIESA-N 1 1 191.152 2.029 10 0 AEAEMO C[C@H](O)[C@@H]1CC[C@@H]2CCCC[N@H+]2[C@@H]1C 238477600 573707396 /nfs/dbraw/zinc/70/73/96/573707396.db2.gz JSMGUWGXNZVTPI-NOOOWODRSA-N 1 1 197.322 2.020 10 0 AEAEMO CCCC(=O)C[N@H+]1CC[C@H](C2CC2)C1 400043545 573707946 /nfs/dbraw/zinc/70/79/46/573707946.db2.gz OUOXYNGVTGYVTD-NSHDSACASA-N 1 1 195.306 2.088 10 0 AEAEMO CCCCOCC[N@H+]1[C@@H](C)C[C@H]1C 393553991 573707410 /nfs/dbraw/zinc/70/74/10/573707410.db2.gz LXTXKDDHJFYOFK-PHIMTYICSA-N 1 1 185.311 2.286 10 0 AEAEMO C[C@@H]1CC(C)(C)NC2(CCCCC2)[NH2+]1 238477702 573707705 /nfs/dbraw/zinc/70/77/05/573707705.db2.gz KBRJKGFAJWSAEU-SNVBAGLBSA-N 1 1 196.338 2.397 10 0 AEAEMO C[C@@H]1CCCCC[C@H]1[N@H+]1CCC(=O)C1 83949359 573707843 /nfs/dbraw/zinc/70/78/43/573707843.db2.gz RBRBPZPJKQFWIB-ZYHUDNBSSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)(C)C[C@@H](N)C[NH2+]C1CCCC1 258100695 573707941 /nfs/dbraw/zinc/70/79/41/573707941.db2.gz KIFZNOJFYBFLME-SNVBAGLBSA-N 1 1 198.354 2.282 10 0 AEAEMO CCCC(=O)C[N@H+]1CC[C@@H](C2CC2)C1 400043544 573708393 /nfs/dbraw/zinc/70/83/93/573708393.db2.gz OUOXYNGVTGYVTD-LLVKDONJSA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@H]1CCC2(CCCCC2)[N@H+]1CCN 238490583 573709909 /nfs/dbraw/zinc/70/99/09/573709909.db2.gz PZHGJMPQFDERPU-NSHDSACASA-N 1 1 196.338 2.132 10 0 AEAEMO CC(C)[C@@H](CO)[N@@H+](C)C1CCCCC1 258889038 573710102 /nfs/dbraw/zinc/71/01/02/573710102.db2.gz QTVLUAMHOLMJTI-GFCCVEGCSA-N 1 1 199.338 2.268 10 0 AEAEMO Cc1cc2[nH+]ccn2c2c(N)cccc12 258101603 573712064 /nfs/dbraw/zinc/71/20/64/573712064.db2.gz NXPISLULJSOLLU-UHFFFAOYSA-N 1 1 197.241 2.378 10 0 AEAEMO CCCC1=NN([C@H](C)CC)C(=O)C1[NH3+] 130796171 573712090 /nfs/dbraw/zinc/71/20/90/573712090.db2.gz GPYFPSXDRZNNML-SSDOTTSWSA-N 1 1 197.282 2.094 10 0 AEAEMO CCCC1=NN([C@@H](C)CC)C(=O)C1[NH3+] 130796004 573712202 /nfs/dbraw/zinc/71/22/02/573712202.db2.gz GPYFPSXDRZNNML-ZETCQYMHSA-N 1 1 197.282 2.094 10 0 AEAEMO C[C@H]1CCC[N@@H+]1CC(C)(C)C[C@@H](C)O 393554109 573712460 /nfs/dbraw/zinc/71/24/60/573712460.db2.gz YNEDBSNUTZBFDP-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@](C)([C@H](C)O)[N@@H+](C)CC(C)C 393554210 573712591 /nfs/dbraw/zinc/71/25/91/573712591.db2.gz IWWYTSDENCONOV-QWRGUYRKSA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@@](C)([C@@H](C)O)[N@@H+](C)CC(C)C 393554208 573712675 /nfs/dbraw/zinc/71/26/75/573712675.db2.gz IWWYTSDENCONOV-MNOVXSKESA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@](C)([C@H](C)O)[N@@H+](C)CC(C)C 393554212 573712760 /nfs/dbraw/zinc/71/27/60/573712760.db2.gz IWWYTSDENCONOV-WDEREUQCSA-N 1 1 187.327 2.124 10 0 AEAEMO C[C@H](O)CC(C)(C)C[N@H+]1CCC[C@H]1C 393554107 573713054 /nfs/dbraw/zinc/71/30/54/573713054.db2.gz YNEDBSNUTZBFDP-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H]1CC(=O)CC[N@H+]1C(C)C 83964935 573715719 /nfs/dbraw/zinc/71/57/19/573715719.db2.gz SXFORQYHLYCNJD-JTQLQIEISA-N 1 1 183.295 2.228 10 0 AEAEMO CC(C)[N@H+]1CC[C@@H](CCO)C(C)(C)C1 259172897 573716231 /nfs/dbraw/zinc/71/62/31/573716231.db2.gz GXJULECDEXWLFN-NSHDSACASA-N 1 1 199.338 2.125 10 0 AEAEMO FC1(C[NH2+]Cc2ccco2)CCC1 308426815 573717450 /nfs/dbraw/zinc/71/74/50/573717450.db2.gz XJPVREMRAZXBLQ-UHFFFAOYSA-N 1 1 183.226 2.261 10 0 AEAEMO Cc1c(F)cccc1[C@H]([NH3+])C(F)F 238494591 573716976 /nfs/dbraw/zinc/71/69/76/573716976.db2.gz GBHKFHFNCLVADX-QMMMGPOBSA-N 1 1 189.180 2.399 10 0 AEAEMO CC[C@H]1CCC[C@]2(CC1)COC(N)=[NH+]2 83964773 573717190 /nfs/dbraw/zinc/71/71/90/573717190.db2.gz VYGABPIYBNIADF-ONGXEEELSA-N 1 1 196.294 2.060 10 0 AEAEMO CC[C@H]1CCC[C@@]2(CC1)COC(N)=[NH+]2 83964768 573717367 /nfs/dbraw/zinc/71/73/67/573717367.db2.gz VYGABPIYBNIADF-GXSJLCMTSA-N 1 1 196.294 2.060 10 0 AEAEMO Cc1cn(C)c(N2CCCCCC2)[nH+]1 257856385 573719725 /nfs/dbraw/zinc/71/97/25/573719725.db2.gz DIZZPLKGBYMEHE-UHFFFAOYSA-N 1 1 193.294 2.109 10 0 AEAEMO CC[C@@H](C)C[C@@H](C[NH3+])N1CCCCC1 394394141 573721817 /nfs/dbraw/zinc/72/18/17/573721817.db2.gz BHOVFTSQLYZHLD-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO c1c[nH+]c2c(c1)[C@@H]1CCC[C@H]1N2 238043341 573721925 /nfs/dbraw/zinc/72/19/25/573721925.db2.gz ZWTJMBJQJBZQJB-IONNQARKSA-N 1 1 160.220 2.143 10 0 AEAEMO C[C@H]([NH3+])c1nc2cc(F)cc(F)c2o1 75883662 573725740 /nfs/dbraw/zinc/72/57/40/573725740.db2.gz KDBWRPBECROBGD-BYPYZUCNSA-N 1 1 198.172 2.126 10 0 AEAEMO C[C@H]([NH3+])c1nc2ccc(F)c(F)c2o1 75883658 573726806 /nfs/dbraw/zinc/72/68/06/573726806.db2.gz DBVPCNFHLBADGZ-BYPYZUCNSA-N 1 1 198.172 2.126 10 0 AEAEMO C[N@H+]1CCC[C@H](c2ccc(O)cc2)C1 75906225 573728777 /nfs/dbraw/zinc/72/87/77/573728777.db2.gz LYOSWYDBNWJGKF-NSHDSACASA-N 1 1 191.274 2.201 10 0 AEAEMO C[N@H+]1CCC[C@@H](c2cccc(N)c2)C1 75906219 573729010 /nfs/dbraw/zinc/72/90/10/573729010.db2.gz GXNUWDHDKDASJU-LLVKDONJSA-N 1 1 190.290 2.078 10 0 AEAEMO C[N@H+]1CCC[C@@H](c2ccccc2N)C1 75906221 573729927 /nfs/dbraw/zinc/72/99/27/573729927.db2.gz VCHKTQBNLMZZJE-SNVBAGLBSA-N 1 1 190.290 2.078 10 0 AEAEMO C[N@H+]1CCC[C@@H](c2ccc(O)cc2)C1 75906226 573730177 /nfs/dbraw/zinc/73/01/77/573730177.db2.gz LYOSWYDBNWJGKF-LLVKDONJSA-N 1 1 191.274 2.201 10 0 AEAEMO CNC[C@@H](CC(C)C)[NH+]1CCCCC1 83983726 573733133 /nfs/dbraw/zinc/73/31/33/573733133.db2.gz BIPKTEDSEFJBHX-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO C[C@H](CCC(C)(C)C)[N@@H+](C)CCN 393558003 573733282 /nfs/dbraw/zinc/73/32/82/573733282.db2.gz TUGCPBKURKKQCJ-SNVBAGLBSA-N 1 1 186.343 2.092 10 0 AEAEMO C[C@H](CCC(C)(C)C)N(C)CC[NH3+] 393558003 573733289 /nfs/dbraw/zinc/73/32/89/573733289.db2.gz TUGCPBKURKKQCJ-SNVBAGLBSA-N 1 1 186.343 2.092 10 0 AEAEMO C/C=C/C[N@H+]1CCO[C@H](CCC)C1 308430029 573736915 /nfs/dbraw/zinc/73/69/15/573736915.db2.gz SVFRAMIFLHQECV-JOAKQRRISA-N 1 1 183.295 2.063 10 0 AEAEMO C/C=C/C[N@H+]1CCO[C@@H](CCC)C1 308430032 573737229 /nfs/dbraw/zinc/73/72/29/573737229.db2.gz SVFRAMIFLHQECV-TZNOJPMFSA-N 1 1 183.295 2.063 10 0 AEAEMO C/C=C\C[N@H+]1CCO[C@H](CCC)C1 308430034 573737246 /nfs/dbraw/zinc/73/72/46/573737246.db2.gz SVFRAMIFLHQECV-USEMIUTHSA-N 1 1 183.295 2.063 10 0 AEAEMO COC(C)(C)C[N@@H+](C)C1CC(C)C1 308429926 573737472 /nfs/dbraw/zinc/73/74/72/573737472.db2.gz SSEUNCQCKGFTJP-UHFFFAOYSA-N 1 1 185.311 2.142 10 0 AEAEMO CNC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1C 308693883 573737538 /nfs/dbraw/zinc/73/75/38/573737538.db2.gz SHBCHKXVUNPTNU-QWRGUYRKSA-N 1 1 198.354 2.153 10 0 AEAEMO CNC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1C 308693884 573738122 /nfs/dbraw/zinc/73/81/22/573738122.db2.gz SHBCHKXVUNPTNU-WDEREUQCSA-N 1 1 198.354 2.153 10 0 AEAEMO CNC(C)(C)C[NH2+][C@H]1CCCC[C@H]1C 308693882 573738156 /nfs/dbraw/zinc/73/81/56/573738156.db2.gz SHBCHKXVUNPTNU-MNOVXSKESA-N 1 1 198.354 2.153 10 0 AEAEMO CC(C)[N@H+]1CC[C@@H](CCC2(O)CC2)C1 257858887 573740809 /nfs/dbraw/zinc/74/08/09/573740809.db2.gz CFSGEQAJPPOZSO-LLVKDONJSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)[N@H+]1CC[C@H](CCC2(O)CC2)C1 257858889 573741197 /nfs/dbraw/zinc/74/11/97/573741197.db2.gz CFSGEQAJPPOZSO-NSHDSACASA-N 1 1 197.322 2.022 10 0 AEAEMO CC[NH+](CC)[C@@H](C)c1coc(CN)c1 257859200 573741518 /nfs/dbraw/zinc/74/15/18/573741518.db2.gz QPNMRGFWQMYBGG-VIFPVBQESA-N 1 1 196.294 2.141 10 0 AEAEMO CC(C)[C@]1(CCN(C)C)CCCC[NH2+]1 258102033 573742376 /nfs/dbraw/zinc/74/23/76/573742376.db2.gz XXVHQLQOOSYUFD-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO Nc1cccc(C2CCSCC2)[nH+]1 258115816 573743422 /nfs/dbraw/zinc/74/34/22/573743422.db2.gz PBIOSJHIIQJEHA-UHFFFAOYSA-N 1 1 194.303 2.274 10 0 AEAEMO CN[C@H](C)[C@H](C)[N@H+]1C[C@@H](C)CC[C@@H]1C 84046406 573749671 /nfs/dbraw/zinc/74/96/71/573749671.db2.gz VVPJAZGRRCOROJ-YFKTTZPYSA-N 1 1 198.354 2.103 10 0 AEAEMO Cc1cc(C(F)F)c(C)[nH+]c1N 238500582 573746651 /nfs/dbraw/zinc/74/66/51/573746651.db2.gz VLFFSZOZRGRIKM-UHFFFAOYSA-N 1 1 172.178 2.218 10 0 AEAEMO CNC(C)(C)C[NH2+]C[C@H]1CC[C@H](C)C1 308701408 573746922 /nfs/dbraw/zinc/74/69/22/573746922.db2.gz VCNVZGFBGKWMNC-QWRGUYRKSA-N 1 1 198.354 2.010 10 0 AEAEMO CN[C@H](C)[C@H](C)[N@@H+]1C[C@H](C)CC[C@H]1C 84046410 573748734 /nfs/dbraw/zinc/74/87/34/573748734.db2.gz VVPJAZGRRCOROJ-KKOKHZNYSA-N 1 1 198.354 2.103 10 0 AEAEMO CN[C@H](C)[C@H](C)[N@H+]1C[C@H](C)CC[C@H]1C 84046410 573748741 /nfs/dbraw/zinc/74/87/41/573748741.db2.gz VVPJAZGRRCOROJ-KKOKHZNYSA-N 1 1 198.354 2.103 10 0 AEAEMO CNC(C)(C)C[NH2+]C[C@H]1CC[C@@H](C)C1 308701407 573748641 /nfs/dbraw/zinc/74/86/41/573748641.db2.gz VCNVZGFBGKWMNC-MNOVXSKESA-N 1 1 198.354 2.010 10 0 AEAEMO C[C@@H]1CC[C@@H](C)[N@H+]([C@@H]2CCCC2=O)C1 84050045 573749900 /nfs/dbraw/zinc/74/99/00/573749900.db2.gz KOWCTSUYHLVSJR-GMTAPVOTSA-N 1 1 195.306 2.228 10 0 AEAEMO CC(C)[C@H](CN)[N@H+]1C[C@H](C)CC[C@H]1C 84045386 573749207 /nfs/dbraw/zinc/74/92/07/573749207.db2.gz RPMNAOALIZJHCZ-UTUOFQBUSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@@H]1CC[N@H+]([C@@H]2CCCC[C@@H]2O)C1 108308618 573749210 /nfs/dbraw/zinc/74/92/10/573749210.db2.gz MISMDRIDCCQYMI-UTUOFQBUSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+]1C[C@H](C)CC[C@@H]1C 84050000 573749296 /nfs/dbraw/zinc/74/92/96/573749296.db2.gz TZHZRMOBRDRQGL-VWYCJHECSA-N 1 1 197.322 2.474 10 0 AEAEMO Cc1ccccc1-c1coc(C[NH3+])n1 257863110 573749445 /nfs/dbraw/zinc/74/94/45/573749445.db2.gz RKXFXVNACQUPQQ-UHFFFAOYSA-N 1 1 188.230 2.109 10 0 AEAEMO CC[C@@H]1CC[N@H+](C2CCC(O)CC2)C1 108308533 573749449 /nfs/dbraw/zinc/74/94/49/573749449.db2.gz UNTACBWITBOPQR-VOMCLLRMSA-N 1 1 197.322 2.022 10 0 AEAEMO CC1(C)[C@@H](O)CCC[N@H+]1C1CCCC1 259175906 573749550 /nfs/dbraw/zinc/74/95/50/573749550.db2.gz AVGCSSBHSQVARY-NSHDSACASA-N 1 1 197.322 2.164 10 0 AEAEMO CNc1[nH]cc(-c2sccc2C)[nH+]1 259176437 573749612 /nfs/dbraw/zinc/74/96/12/573749612.db2.gz VRAQEONZWPQWPV-UHFFFAOYSA-N 1 1 193.275 2.488 10 0 AEAEMO C[C@H]1CC[C@@H](C)C[N@H+]1[C@@H]1CCCC1=O 84050039 573749614 /nfs/dbraw/zinc/74/96/14/573749614.db2.gz KOWCTSUYHLVSJR-OUAUKWLOSA-N 1 1 195.306 2.228 10 0 AEAEMO CN[C@H](C)[C@H](C)[N@@H+]1C[C@@H](C)CC[C@@H]1C 84046406 573749662 /nfs/dbraw/zinc/74/96/62/573749662.db2.gz VVPJAZGRRCOROJ-YFKTTZPYSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)c1nc(C[NH3+])[nH]c1C1CCC1 257864610 573752768 /nfs/dbraw/zinc/75/27/68/573752768.db2.gz RURJSGYYUFMGEK-UHFFFAOYSA-N 1 1 193.294 2.259 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1C1CCC(O)CC1 108308540 573751574 /nfs/dbraw/zinc/75/15/74/573751574.db2.gz ARNHODPXEFRZHU-VOMCLLRMSA-N 1 1 197.322 2.164 10 0 AEAEMO CC(=O)C[C@H](C)[N@H+]1C[C@H](C)CC[C@@H]1C 84050233 573751766 /nfs/dbraw/zinc/75/17/66/573751766.db2.gz NTLAUSHERCNIIW-VWYCJHECSA-N 1 1 197.322 2.474 10 0 AEAEMO CCCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1N 258907845 573751767 /nfs/dbraw/zinc/75/17/67/573751767.db2.gz HYNNYWQSCKDCAI-WDEREUQCSA-N 1 1 198.354 2.282 10 0 AEAEMO C[C@H]1CCC[N@H+](C2CCC(O)CC2)C1 108308568 573751951 /nfs/dbraw/zinc/75/19/51/573751951.db2.gz XESSLEWGIAQLRR-UNXYVOJBSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1CCC[N@H+](C2CCC(O)CC2)C1 108308565 573751977 /nfs/dbraw/zinc/75/19/77/573751977.db2.gz XESSLEWGIAQLRR-VOMCLLRMSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(=O)[C@H](C)[N@H+]1C[C@@H](C)CC[C@@H]1C 84050123 573752052 /nfs/dbraw/zinc/75/20/52/573752052.db2.gz FYXMATGIGDTPSU-GUBZILKMSA-N 1 1 183.295 2.084 10 0 AEAEMO C[C@@H]1CC[C@@H](C)[N@H+](CC(C)(C)CN)C1 84053322 573752146 /nfs/dbraw/zinc/75/21/46/573752146.db2.gz CATJAQODXFQVEB-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1CC[C@@H](C)[N@@H+](CC(C)(C)CN)C1 84053322 573752152 /nfs/dbraw/zinc/75/21/52/573752152.db2.gz CATJAQODXFQVEB-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO CNC(C)(C)C[N@@H+]1C[C@H](C)CC[C@H]1C 84051644 573753205 /nfs/dbraw/zinc/75/32/05/573753205.db2.gz PMBMUJSVSWXFOQ-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(=O)CC[N@H+]1C[C@H](C)CC[C@H]1C 84050191 573752237 /nfs/dbraw/zinc/75/22/37/573752237.db2.gz CDROIDABBGHCNJ-NXEZZACHSA-N 1 1 183.295 2.086 10 0 AEAEMO CNC(C)(C)C[N@H+]1C[C@H](C)CC[C@H]1C 84051644 573753213 /nfs/dbraw/zinc/75/32/13/573753213.db2.gz PMBMUJSVSWXFOQ-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CCC[N@H+]1C1CCC(O)CC1 108308549 573752366 /nfs/dbraw/zinc/75/23/66/573752366.db2.gz DTHBJRDJFMEFIP-UNXYVOJBSA-N 1 1 197.322 2.164 10 0 AEAEMO C[C@H]1CC[C@@H](C)[N@H+](CC(C)(C)CN)C1 84053325 573752414 /nfs/dbraw/zinc/75/24/14/573752414.db2.gz CATJAQODXFQVEB-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CC[C@@H](C)[N@@H+](CC(C)(C)CN)C1 84053325 573752421 /nfs/dbraw/zinc/75/24/21/573752421.db2.gz CATJAQODXFQVEB-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(=O)CC[N@H+]1C[C@H](C)CC[C@@H]1C 84050185 573752612 /nfs/dbraw/zinc/75/26/12/573752612.db2.gz CDROIDABBGHCNJ-ZJUUUORDSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1C[C@@H](C)C[C@H](N)C1 87039930 573752614 /nfs/dbraw/zinc/75/26/14/573752614.db2.gz KNZIPLVQIFIXBV-SRVKXCTJSA-N 1 1 198.354 2.090 10 0 AEAEMO CCCC(C)(C)C[NH2+][C@H]1CCC[C@@H]1N 258907842 573752661 /nfs/dbraw/zinc/75/26/61/573752661.db2.gz HYNNYWQSCKDCAI-QWRGUYRKSA-N 1 1 198.354 2.282 10 0 AEAEMO C[C@H]1CC[C@@H](C)C[N@@H+]1CC(=O)C1CC1 84050216 573752663 /nfs/dbraw/zinc/75/26/63/573752663.db2.gz NIGVQQIJEYIYDP-ZJUUUORDSA-N 1 1 195.306 2.086 10 0 AEAEMO CC(C)[C@@H](N)C[N@H+]1C[C@@H](C)CC[C@H]1C 84051728 573752692 /nfs/dbraw/zinc/75/26/92/573752692.db2.gz RXPWZOSBWJJINC-TUAOUCFPSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@@H]([NH3+])CN1C[C@@H](C)CC[C@H]1C 84051728 573752695 /nfs/dbraw/zinc/75/26/95/573752695.db2.gz RXPWZOSBWJJINC-TUAOUCFPSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@H](N)C[NH2+][C@@]1(C)CCCC[C@@H]1C 308705116 573752763 /nfs/dbraw/zinc/75/27/63/573752763.db2.gz YRGJQHVRJMBVLK-SRVKXCTJSA-N 1 1 198.354 2.282 10 0 AEAEMO C[C@H]1C[C@H](N)C[N@@H+](CCC(C)(C)C)C1 87040100 573752799 /nfs/dbraw/zinc/75/27/99/573752799.db2.gz RSSNJIKYQBYMQM-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](N)C[NH2+][C@@]1(C)CCCC[C@@H]1C 308705117 573752892 /nfs/dbraw/zinc/75/28/92/573752892.db2.gz YRGJQHVRJMBVLK-TUAOUCFPSA-N 1 1 198.354 2.282 10 0 AEAEMO CC1(C)CCC[N@H+]1C1CCC(O)CC1 108308559 573752948 /nfs/dbraw/zinc/75/29/48/573752948.db2.gz WAVPOLMTWHYALQ-UHFFFAOYSA-N 1 1 197.322 2.164 10 0 AEAEMO C[C@H]1c2ccccc2-c2[nH]c(C[NH3+])nc21 74215044 573753223 /nfs/dbraw/zinc/75/32/23/573753223.db2.gz HUFBQPUVSBOHQD-ZETCQYMHSA-N 1 1 199.257 2.001 10 0 AEAEMO CNC(C)(C)C[N@@H+]1C[C@@H](C)CC[C@@H]1C 84051642 573757679 /nfs/dbraw/zinc/75/76/79/573757679.db2.gz PMBMUJSVSWXFOQ-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CNC(C)(C)C[N@H+]1C[C@@H](C)CC[C@@H]1C 84051642 573757683 /nfs/dbraw/zinc/75/76/83/573757683.db2.gz PMBMUJSVSWXFOQ-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H](C)[C@H](CN)[N@H+]1CC[C@@H](C)C1 223491570 573757687 /nfs/dbraw/zinc/75/76/87/573757687.db2.gz BATFAWAKNMUTSC-UTUOFQBUSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)C2CC2)C1 84050225 573758750 /nfs/dbraw/zinc/75/87/50/573758750.db2.gz NIGVQQIJEYIYDP-NXEZZACHSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@H]1CC[C@H](C)[N@H+](CC(C)(C)CN)C1 84053317 573757580 /nfs/dbraw/zinc/75/75/80/573757580.db2.gz CATJAQODXFQVEB-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CC[C@H](C)[N@@H+](CC(C)(C)CN)C1 84053317 573757585 /nfs/dbraw/zinc/75/75/85/573757585.db2.gz CATJAQODXFQVEB-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CC[C@@H](C)C[N@H+]1CC(C)(C)CN 84053313 573757626 /nfs/dbraw/zinc/75/76/26/573757626.db2.gz CATJAQODXFQVEB-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CC[C@@H](C)C[N@@H+]1CC(C)(C)CN 84053313 573757633 /nfs/dbraw/zinc/75/76/33/573757633.db2.gz CATJAQODXFQVEB-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CC[C@H](C)[N@@H+](CC(=O)C2CC2)C1 84050222 573759047 /nfs/dbraw/zinc/75/90/47/573759047.db2.gz NIGVQQIJEYIYDP-UWVGGRQHSA-N 1 1 195.306 2.086 10 0 AEAEMO N[C@H]1CCCC[C@H]1[NH2+]CCC1CCC1 258910588 573759729 /nfs/dbraw/zinc/75/97/29/573759729.db2.gz IFVNXAJMDOIZLI-NWDGAFQWSA-N 1 1 196.338 2.036 10 0 AEAEMO [NH3+]C1(c2ccc(F)c(O)c2F)CCC1 258119242 573759777 /nfs/dbraw/zinc/75/97/77/573759777.db2.gz MBVUUDFZSWQPCM-UHFFFAOYSA-N 1 1 199.200 2.008 10 0 AEAEMO C[N@H+]1CCC[C@H]1c1ccccc1C=O 257867274 573759800 /nfs/dbraw/zinc/75/98/00/573759800.db2.gz SHTVLGKTCFJYOI-LBPRGKRZSA-N 1 1 189.258 2.266 10 0 AEAEMO Nc1ccc[nH+]c1N[C@H]1CC=CCC1 84066326 573760710 /nfs/dbraw/zinc/76/07/10/573760710.db2.gz RQLMMEPDSIOTAL-VIFPVBQESA-N 1 1 189.262 2.184 10 0 AEAEMO C[C@@H]1C[N@H+]([C@H]2CC=CCC2)CCC1=O 84068024 573760889 /nfs/dbraw/zinc/76/08/89/573760889.db2.gz BZZSAZRLQUGKOI-MNOVXSKESA-N 1 1 193.290 2.006 10 0 AEAEMO C[N@H+]1CC[C@H](CCC2(O)CCCC2)C1 258122460 573761264 /nfs/dbraw/zinc/76/12/64/573761264.db2.gz UDIKWEVEBBXDJP-NSHDSACASA-N 1 1 197.322 2.023 10 0 AEAEMO C[C@H]1C[N@H+]([C@H]2CC=CCC2)CCC1=O 84068026 573761331 /nfs/dbraw/zinc/76/13/31/573761331.db2.gz BZZSAZRLQUGKOI-QWRGUYRKSA-N 1 1 193.290 2.006 10 0 AEAEMO Nc1ccc[nH+]c1N[C@@H]1CC=CCC1 84066327 573761945 /nfs/dbraw/zinc/76/19/45/573761945.db2.gz RQLMMEPDSIOTAL-SECBINFHSA-N 1 1 189.262 2.184 10 0 AEAEMO CNCC(C)(C)[NH2+]CCC1CCCC1 258918797 573762118 /nfs/dbraw/zinc/76/21/18/573762118.db2.gz UGQHDEFQUYBJLE-UHFFFAOYSA-N 1 1 198.354 2.154 10 0 AEAEMO C[NH2+]CC(C)(C)NCCC1CCCC1 258918797 573762123 /nfs/dbraw/zinc/76/21/23/573762123.db2.gz UGQHDEFQUYBJLE-UHFFFAOYSA-N 1 1 198.354 2.154 10 0 AEAEMO C[NH2+]CNCC(C)(C)C1CCCCC1 258919609 573762137 /nfs/dbraw/zinc/76/21/37/573762137.db2.gz NLKCDCSIPLNOBE-UHFFFAOYSA-N 1 1 198.354 2.359 10 0 AEAEMO CC[C@@H]1CCc2[nH+]c(C)[nH]c2C1 76089140 573762886 /nfs/dbraw/zinc/76/28/86/573762886.db2.gz AVFLDQPCWSYXOJ-MRVPVSSYSA-N 1 1 164.252 2.233 10 0 AEAEMO Nc1ccc(N[C@H]2CC=CCC2)c[nH+]1 84066356 573763116 /nfs/dbraw/zinc/76/31/16/573763116.db2.gz PKTMBPZDBXHVLP-VIFPVBQESA-N 1 1 189.262 2.184 10 0 AEAEMO C[N@H+]1CC[C@@H](CCC2(O)CCCC2)C1 258122459 573764424 /nfs/dbraw/zinc/76/44/24/573764424.db2.gz UDIKWEVEBBXDJP-LLVKDONJSA-N 1 1 197.322 2.023 10 0 AEAEMO C[NH2+]C1(CNC2CCC2)CCCCC1 308710417 573764474 /nfs/dbraw/zinc/76/44/74/573764474.db2.gz YKKOPGGUUKRIJO-UHFFFAOYSA-N 1 1 196.338 2.051 10 0 AEAEMO CNC1(C[NH2+]C2CCC2)CCCCC1 308710417 573764482 /nfs/dbraw/zinc/76/44/82/573764482.db2.gz YKKOPGGUUKRIJO-UHFFFAOYSA-N 1 1 196.338 2.051 10 0 AEAEMO C[C@@H]1CC(=O)CC[N@H+]1[C@H]1CC=CCC1 84068050 573764796 /nfs/dbraw/zinc/76/47/96/573764796.db2.gz LYFOYMZHGCAKMZ-MNOVXSKESA-N 1 1 193.290 2.149 10 0 AEAEMO CC[C@H]1CCc2[nH+]c(C)[nH]c2C1 76089143 573765156 /nfs/dbraw/zinc/76/51/56/573765156.db2.gz AVFLDQPCWSYXOJ-QMMMGPOBSA-N 1 1 164.252 2.233 10 0 AEAEMO Nc1ccc(N[C@@H]2CC=CCC2)[nH+]c1 84066247 573765495 /nfs/dbraw/zinc/76/54/95/573765495.db2.gz QEMMSEKRGOEADB-SNVBAGLBSA-N 1 1 189.262 2.184 10 0 AEAEMO CCCC1=CCC[N@H+]1C 100047850 573766185 /nfs/dbraw/zinc/76/61/85/573766185.db2.gz JYYJJYQUXQTWJQ-UHFFFAOYSA-N 1 1 125.215 2.006 10 0 AEAEMO Cc1cc(C(F)F)c(N)[nH+]c1C 238508752 573771122 /nfs/dbraw/zinc/77/11/22/573771122.db2.gz ZDUXFDMWZGPTPI-UHFFFAOYSA-N 1 1 172.178 2.218 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H](CCO)C1(C)C 259567260 573771625 /nfs/dbraw/zinc/77/16/25/573771625.db2.gz YKCNPNIWNOSOTP-NSHDSACASA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H](C)[NH2+][C@H](C)c1noc(C)n1 308716417 573774132 /nfs/dbraw/zinc/77/41/32/573774132.db2.gz BHRIUBNBNQNYBQ-JGVFFNPUSA-N 1 1 197.282 2.217 10 0 AEAEMO CCC(CC)CC[NH2+]Cc1c[nH]cn1 308714750 573774032 /nfs/dbraw/zinc/77/40/32/573774032.db2.gz AVBPFCPDOJPXTJ-UHFFFAOYSA-N 1 1 195.310 2.326 10 0 AEAEMO CCC[C@@H](C)[NH2+][C@H](C)c1noc(C)n1 308716416 573776146 /nfs/dbraw/zinc/77/61/46/573776146.db2.gz BHRIUBNBNQNYBQ-HTQZYQBOSA-N 1 1 197.282 2.217 10 0 AEAEMO CC[C@@H](c1cccs1)[N@@H+](C)CCO 308436645 573778130 /nfs/dbraw/zinc/77/81/30/573778130.db2.gz WVCORHNQBBBDQX-VIFPVBQESA-N 1 1 199.319 2.123 10 0 AEAEMO C[C@H]([NH3+])[C@H](N(C)C1CCC1)C(C)(C)C 127157598 573777540 /nfs/dbraw/zinc/77/75/40/573777540.db2.gz NXJPRYYDPYSOLN-ONGXEEELSA-N 1 1 198.354 2.233 10 0 AEAEMO C[NH2+][C@H](CNC(C)C)C1CCCCC1 259570003 573779412 /nfs/dbraw/zinc/77/94/12/573779412.db2.gz WQGNRSFCTUWGMX-GFCCVEGCSA-N 1 1 198.354 2.153 10 0 AEAEMO CN[C@H](C[NH2+]C(C)C)C1CCCCC1 259570003 573779415 /nfs/dbraw/zinc/77/94/15/573779415.db2.gz WQGNRSFCTUWGMX-GFCCVEGCSA-N 1 1 198.354 2.153 10 0 AEAEMO C[NH2+][C@@H](CNC(C)C)C1CCCCC1 259570004 573779593 /nfs/dbraw/zinc/77/95/93/573779593.db2.gz WQGNRSFCTUWGMX-LBPRGKRZSA-N 1 1 198.354 2.153 10 0 AEAEMO CN[C@@H](C[NH2+]C(C)C)C1CCCCC1 259570004 573779597 /nfs/dbraw/zinc/77/95/97/573779597.db2.gz WQGNRSFCTUWGMX-LBPRGKRZSA-N 1 1 198.354 2.153 10 0 AEAEMO c1cn2c3c(ccc2[nH+]1)CCCC3 238107877 573779791 /nfs/dbraw/zinc/77/97/91/573779791.db2.gz CRMWLALAEDDDTR-UHFFFAOYSA-N 1 1 172.231 2.213 10 0 AEAEMO CC1=C2CCC[N@@H+]2C[C@@H]1C 100229079 573780570 /nfs/dbraw/zinc/78/05/70/573780570.db2.gz WSLPBTYNOBZWIC-ZETCQYMHSA-N 1 1 137.226 2.006 10 0 AEAEMO CC(C)(C)CCN[C@@H]1C[NH2+]C(C)(C)C1 258939443 573780604 /nfs/dbraw/zinc/78/06/04/573780604.db2.gz YIZVLEKSHFDPDI-JTQLQIEISA-N 1 1 198.354 2.153 10 0 AEAEMO CC[C@H](c1cccs1)[N@@H+](C)CCO 308436644 573780881 /nfs/dbraw/zinc/78/08/81/573780881.db2.gz WVCORHNQBBBDQX-SECBINFHSA-N 1 1 199.319 2.123 10 0 AEAEMO CO[C@H](C)[C@@H](C)[N@@H+](C)CC(C)(C)C 308431227 573782772 /nfs/dbraw/zinc/78/27/72/573782772.db2.gz UAZZIAHJYKNFRJ-NXEZZACHSA-N 1 1 187.327 2.388 10 0 AEAEMO CO[C@H](C)[C@H](C)[N@@H+](C)CC(C)(C)C 308431232 573782934 /nfs/dbraw/zinc/78/29/34/573782934.db2.gz UAZZIAHJYKNFRJ-VHSXEESVSA-N 1 1 187.327 2.388 10 0 AEAEMO CC(C)CC[N@H+]1CC[C@H](O)CC1(C)C 258940132 573784722 /nfs/dbraw/zinc/78/47/22/573784722.db2.gz YEOWDXYSPQLWIO-NSHDSACASA-N 1 1 199.338 2.268 10 0 AEAEMO C[N@@H+](CC(C)(C)C)CC1(CO)CCC1 258947017 573785020 /nfs/dbraw/zinc/78/50/20/573785020.db2.gz JFWMLFYTLSAKAP-UHFFFAOYSA-N 1 1 199.338 2.127 10 0 AEAEMO CC(C)(C)c1[nH+]cc2c(O)cccn12 257877300 573785581 /nfs/dbraw/zinc/78/55/81/573785581.db2.gz UWULQJDQIMOHJP-UHFFFAOYSA-N 1 1 190.246 2.337 10 0 AEAEMO CC(C)CC[N@H+]1CC[C@@H](O)CC1(C)C 258940127 573786097 /nfs/dbraw/zinc/78/60/97/573786097.db2.gz YEOWDXYSPQLWIO-LLVKDONJSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC(CC)[C@H](CN)[N@@H+](C)C1CCC1 127214872 573789492 /nfs/dbraw/zinc/78/94/92/573789492.db2.gz GTIXNSBJEFCNAI-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC(C)(C)C[NH2+]CC(C)(C)N 258943640 573788828 /nfs/dbraw/zinc/78/88/28/573788828.db2.gz WLDDAZVVGCILNK-UHFFFAOYSA-N 1 1 186.343 2.140 10 0 AEAEMO CCCC[N@@H+]1C[C@@H](NC)CCC1(C)C 259187455 573788976 /nfs/dbraw/zinc/78/89/76/573788976.db2.gz BKKHSWVCMVKPEB-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@H+]1C[C@@H](NC)CCC1(C)C 259187455 573788983 /nfs/dbraw/zinc/78/89/83/573788983.db2.gz BKKHSWVCMVKPEB-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO C[N@H+]1CCC[C@H](C(F)(F)C2CC2)C1 258942011 573789422 /nfs/dbraw/zinc/78/94/22/573789422.db2.gz CPZOUQCKPJNKEO-VIFPVBQESA-N 1 1 189.249 2.374 10 0 AEAEMO CCC(CC)[C@@H](CN)[N@@H+](C)C1CCC1 127214620 573790381 /nfs/dbraw/zinc/79/03/81/573790381.db2.gz GTIXNSBJEFCNAI-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[N@@H+]1C[C@H](NC)CCC1(C)C 259187451 573790448 /nfs/dbraw/zinc/79/04/48/573790448.db2.gz BKKHSWVCMVKPEB-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@H+]1C[C@H](NC)CCC1(C)C 259187451 573790453 /nfs/dbraw/zinc/79/04/53/573790453.db2.gz BKKHSWVCMVKPEB-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H](C)[NH2+]Cc1ncccc1O 308721586 573790745 /nfs/dbraw/zinc/79/07/45/573790745.db2.gz DNQBVXUPYMOIAV-SECBINFHSA-N 1 1 194.278 2.065 10 0 AEAEMO c1cc2c(s1)CC[N@@H+]1CCC[C@@H]21 238116392 573790881 /nfs/dbraw/zinc/79/08/81/573790881.db2.gz CBXRVLCGTFFJKO-VIFPVBQESA-N 1 1 179.288 2.441 10 0 AEAEMO CCC[C@H](C)[NH2+]Cc1ncccc1O 308721587 573791144 /nfs/dbraw/zinc/79/11/44/573791144.db2.gz DNQBVXUPYMOIAV-VIFPVBQESA-N 1 1 194.278 2.065 10 0 AEAEMO CCC[C@@H](C)[C@@H](CN)[N@@H+](C)C1CCC1 127215109 573791630 /nfs/dbraw/zinc/79/16/30/573791630.db2.gz MPVMAOMOGQIPPP-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H](C)[C@H](CN)[N@@H+](C)C1CCC1 127215576 573793172 /nfs/dbraw/zinc/79/31/72/573793172.db2.gz MPVMAOMOGQIPPP-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[NH2+][C@H]1CC[C@@H]([N@@H+](C)C2CCC2)C1 127309481 573798110 /nfs/dbraw/zinc/79/81/10/573798110.db2.gz SMYRIVFAHSZHRU-CMPLNLGQSA-N 1 1 196.338 2.001 10 0 AEAEMO NC[C@@H]1CCCCC[N@H+]1C1CCCC1 125118057 573796667 /nfs/dbraw/zinc/79/66/67/573796667.db2.gz AJOYIKPORFPBBS-LBPRGKRZSA-N 1 1 196.338 2.132 10 0 AEAEMO CC1=C[NH2+][C@@H](C)[C@@H](CCC(C)C)N1 238126639 573796683 /nfs/dbraw/zinc/79/66/83/573796683.db2.gz OHPVYSKJUUVXJY-WDEREUQCSA-N 1 1 182.311 2.234 10 0 AEAEMO CC[NH2+][C@@H]1CC[C@@H]([N@@H+](C)C2CCC2)C1 127309282 573796696 /nfs/dbraw/zinc/79/66/96/573796696.db2.gz SMYRIVFAHSZHRU-ZYHUDNBSSA-N 1 1 196.338 2.001 10 0 AEAEMO CC(C)[C@H](CO)C[N@@H+](C)C1CCCC1 258951333 573798128 /nfs/dbraw/zinc/79/81/28/573798128.db2.gz JNWUDUHOEUBTER-NSHDSACASA-N 1 1 199.338 2.125 10 0 AEAEMO CC1=C[NH2+][C@H](C)[C@@H](CCC(C)C)N1 238126611 573796977 /nfs/dbraw/zinc/79/69/77/573796977.db2.gz OHPVYSKJUUVXJY-GHMZBOCLSA-N 1 1 182.311 2.234 10 0 AEAEMO CC(C)[N@H+]1CC[C@@H](CC2(O)CCC2)C1 258131048 573797200 /nfs/dbraw/zinc/79/72/00/573797200.db2.gz UTYRFEGUBFGHAU-NSHDSACASA-N 1 1 197.322 2.022 10 0 AEAEMO CCCc1ccc(C[N@@H+](C)CO)cc1 258952010 573797236 /nfs/dbraw/zinc/79/72/36/573797236.db2.gz RRQRXJJACCWZBS-UHFFFAOYSA-N 1 1 193.290 2.021 10 0 AEAEMO CCC(C)(C)C[NH2+][C@H]1CCCC[C@H]1N 258950387 573797283 /nfs/dbraw/zinc/79/72/83/573797283.db2.gz KKKKBVUUTJSQIV-MNOVXSKESA-N 1 1 198.354 2.282 10 0 AEAEMO CC(C)[N@H+]1CC[C@H](CC2(O)CCC2)C1 258131042 573797358 /nfs/dbraw/zinc/79/73/58/573797358.db2.gz UTYRFEGUBFGHAU-LLVKDONJSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1N 258950391 573797366 /nfs/dbraw/zinc/79/73/66/573797366.db2.gz KKKKBVUUTJSQIV-WDEREUQCSA-N 1 1 198.354 2.282 10 0 AEAEMO Cc1coc(C(=O)[C@@H]([NH3+])CC(C)C)c1 716190525 573797537 /nfs/dbraw/zinc/79/75/37/573797537.db2.gz SDGFDKCJDZMVSG-VIFPVBQESA-N 1 1 195.262 2.144 10 0 AEAEMO Cc1cccnc1C[NH2+]C(C)(C)CF 308746497 573797595 /nfs/dbraw/zinc/79/75/95/573797595.db2.gz RKIYHRKOWQBDRD-UHFFFAOYSA-N 1 1 196.269 2.228 10 0 AEAEMO CC(C)[C@H]1CCC[N@H+]([C@@H](C)CN)CC1 79304436 573798013 /nfs/dbraw/zinc/79/80/13/573798013.db2.gz AWVDLKPAMDQTGP-RYUDHWBXSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)[C@H]1CCCN([C@@H](C)C[NH3+])CC1 79304436 573798017 /nfs/dbraw/zinc/79/80/17/573798017.db2.gz AWVDLKPAMDQTGP-RYUDHWBXSA-N 1 1 198.354 2.092 10 0 AEAEMO C[N@H+](Cc1cc[nH]c1)CC1CCC1 308438128 573800784 /nfs/dbraw/zinc/80/07/84/573800784.db2.gz XRYCPCIYFGUXQU-UHFFFAOYSA-N 1 1 178.279 2.247 10 0 AEAEMO CCC[N@@H+](CCO)[C@@H](C)[C@@H](C)CC 308443019 573798340 /nfs/dbraw/zinc/79/83/40/573798340.db2.gz ZVLQKGRJTQFZIX-QWRGUYRKSA-N 1 1 187.327 2.125 10 0 AEAEMO CC[NH2+][C@H]1CC[C@H]([N@@H+](C)C2CCC2)C1 127309043 573798379 /nfs/dbraw/zinc/79/83/79/573798379.db2.gz SMYRIVFAHSZHRU-JQWIXIFHSA-N 1 1 196.338 2.001 10 0 AEAEMO CC(C)C[C@@](C)(CN)[N@@H+](C)C1CCC1 127223543 573798456 /nfs/dbraw/zinc/79/84/56/573798456.db2.gz DEXOXOCGHKZQTQ-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCC[NH2+][C@H]1CCCC[C@H]1N 258950473 573798536 /nfs/dbraw/zinc/79/85/36/573798536.db2.gz KLHQHDDIZYMNQO-NEPJUHHUSA-N 1 1 198.354 2.282 10 0 AEAEMO CSC[NH2+]Cc1ccccc1 143477213 573798587 /nfs/dbraw/zinc/79/85/87/573798587.db2.gz BAZSEPMMZSGJEE-UHFFFAOYSA-N 1 1 167.277 2.097 10 0 AEAEMO CCC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1N 258950389 573798634 /nfs/dbraw/zinc/79/86/34/573798634.db2.gz KKKKBVUUTJSQIV-QWRGUYRKSA-N 1 1 198.354 2.282 10 0 AEAEMO CC(C)[C@@H](CO)C[N@@H+](C)C1CCCC1 258951331 573798793 /nfs/dbraw/zinc/79/87/93/573798793.db2.gz JNWUDUHOEUBTER-LLVKDONJSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[N@@H+](CCO)[C@@H](C)[C@H](C)CC 308443016 573798802 /nfs/dbraw/zinc/79/88/02/573798802.db2.gz ZVLQKGRJTQFZIX-MNOVXSKESA-N 1 1 187.327 2.125 10 0 AEAEMO CCC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1N 258950385 573800463 /nfs/dbraw/zinc/80/04/63/573800463.db2.gz KKKKBVUUTJSQIV-GHMZBOCLSA-N 1 1 198.354 2.282 10 0 AEAEMO CCCC[N@H+]1CCCC[C@]1(C)CO 308443486 573800482 /nfs/dbraw/zinc/80/04/82/573800482.db2.gz ABTYIRXMKTZMBQ-LLVKDONJSA-N 1 1 185.311 2.023 10 0 AEAEMO CN(c1ccc[nH+]c1N)C1CCCC1 122691840 573800710 /nfs/dbraw/zinc/80/07/10/573800710.db2.gz WVMHOQFROJFIOA-UHFFFAOYSA-N 1 1 191.278 2.043 10 0 AEAEMO COC[N@H+](C)Cc1ccc(C)cc1 259194989 573801635 /nfs/dbraw/zinc/80/16/35/573801635.db2.gz VZGYKGRDTAJITB-UHFFFAOYSA-N 1 1 179.263 2.031 10 0 AEAEMO COC[N@@H+](C)Cc1ccc(C)cc1 259194989 573801638 /nfs/dbraw/zinc/80/16/38/573801638.db2.gz VZGYKGRDTAJITB-UHFFFAOYSA-N 1 1 179.263 2.031 10 0 AEAEMO CCCCC[C@@H](CN)[N@@H+](C)C1CCC1 127253658 573805533 /nfs/dbraw/zinc/80/55/33/573805533.db2.gz JECVTOHMMGOTDO-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@@H](C[NH3+])N(C)C1CCC1 127253658 573805537 /nfs/dbraw/zinc/80/55/37/573805537.db2.gz JECVTOHMMGOTDO-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO CC(=O)SC[NH2+]Cc1ccccc1 238127891 573805564 /nfs/dbraw/zinc/80/55/64/573805564.db2.gz USYOFKKZRWYKGO-UHFFFAOYSA-N 1 1 195.287 2.013 10 0 AEAEMO CCC(CC)[C@@]1(O)CCC[N@@H+](C)CC1 87158830 573808479 /nfs/dbraw/zinc/80/84/79/573808479.db2.gz IPWJLFJSULYKHC-GFCCVEGCSA-N 1 1 199.338 2.269 10 0 AEAEMO CCc1cc(C)c(C)c(C(=O)C[NH3+])c1 258138576 573808886 /nfs/dbraw/zinc/80/88/86/573808886.db2.gz SEKMQJHKRMDAMM-UHFFFAOYSA-N 1 1 191.274 2.007 10 0 AEAEMO CC[C@@H](C)[N@H+]1CC[C@@H](CO)C(C)(C)C1 259196596 573811313 /nfs/dbraw/zinc/81/13/13/573811313.db2.gz IOWRDAIDSCOPAB-MNOVXSKESA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H](c1cc(C=O)ccc1F)[NH+](C)C 257882388 573811401 /nfs/dbraw/zinc/81/14/01/573811401.db2.gz VRKIYUQREQVNGV-MRVPVSSYSA-N 1 1 195.237 2.261 10 0 AEAEMO CCC(CC)[N@H+]1C[C@@H](C)NCC[C@@H]1C 87175671 573812889 /nfs/dbraw/zinc/81/28/89/573812889.db2.gz BNIVARVBCVFPFY-MNOVXSKESA-N 1 1 198.354 2.247 10 0 AEAEMO C[N@H+]1CC[C@H](CC2CCC(=O)CC2)C1 259199846 573812907 /nfs/dbraw/zinc/81/29/07/573812907.db2.gz RTPLLKZHPDEMEV-LLVKDONJSA-N 1 1 195.306 2.088 10 0 AEAEMO CC(C)(C)C[NH2+]C[C@@]1(C)CCCCN1 127363650 573813053 /nfs/dbraw/zinc/81/30/53/573813053.db2.gz VGRLGDRKRSWQBO-GFCCVEGCSA-N 1 1 198.354 2.154 10 0 AEAEMO CCC[C@H](N)[C@H](CC)[N@@H+](C)C1CCC1 127358519 573813210 /nfs/dbraw/zinc/81/32/10/573813210.db2.gz MVFUDVRXASLOLS-RYUDHWBXSA-N 1 1 198.354 2.377 10 0 AEAEMO CCCC[N@H+]1CCC(C)(C)[C@H](CO)C1 259198743 573814930 /nfs/dbraw/zinc/81/49/30/573814930.db2.gz IRHLXOQPWIOYPA-NSHDSACASA-N 1 1 199.338 2.127 10 0 AEAEMO CCCC[C@H](CC)C[N@@H+](C)CCN 43454574 573814958 /nfs/dbraw/zinc/81/49/58/573814958.db2.gz JLLOFIUPAWPJGN-NSHDSACASA-N 1 1 186.343 2.093 10 0 AEAEMO CCCC[C@H](CC)CN(C)CC[NH3+] 43454574 573814964 /nfs/dbraw/zinc/81/49/64/573814964.db2.gz JLLOFIUPAWPJGN-NSHDSACASA-N 1 1 186.343 2.093 10 0 AEAEMO CCC[C@H](N)[C@@H](CC)[N@@H+](C)C1CCC1 127358082 573815014 /nfs/dbraw/zinc/81/50/14/573815014.db2.gz MVFUDVRXASLOLS-NWDGAFQWSA-N 1 1 198.354 2.377 10 0 AEAEMO CCC[C@H]([NH3+])[C@@H](CC)N(C)C1CCC1 127358082 573815020 /nfs/dbraw/zinc/81/50/20/573815020.db2.gz MVFUDVRXASLOLS-NWDGAFQWSA-N 1 1 198.354 2.377 10 0 AEAEMO Cc1nc([C@@H]2CC[N@H+](C)C2)sc1C 259200836 573815143 /nfs/dbraw/zinc/81/51/43/573815143.db2.gz HKDVPVWLTQEFLL-SECBINFHSA-N 1 1 196.319 2.179 10 0 AEAEMO Cc1nc([C@H]2CC[N@H+](C)C2)sc1C 259200843 573815249 /nfs/dbraw/zinc/81/52/49/573815249.db2.gz HKDVPVWLTQEFLL-VIFPVBQESA-N 1 1 196.319 2.179 10 0 AEAEMO C[N@H+]1CC[C@@H](CC2CCC(=O)CC2)C1 259199848 573815628 /nfs/dbraw/zinc/81/56/28/573815628.db2.gz RTPLLKZHPDEMEV-NSHDSACASA-N 1 1 195.306 2.088 10 0 AEAEMO CC(C)(C)C[NH2+]C[C@]1(C)CCCCN1 127363905 573815929 /nfs/dbraw/zinc/81/59/29/573815929.db2.gz VGRLGDRKRSWQBO-LBPRGKRZSA-N 1 1 198.354 2.154 10 0 AEAEMO CCCC[C@@H](CC)C[N@@H+](C)CCN 43454572 573816031 /nfs/dbraw/zinc/81/60/31/573816031.db2.gz JLLOFIUPAWPJGN-LLVKDONJSA-N 1 1 186.343 2.093 10 0 AEAEMO CCCC[C@@H](CC)CN(C)CC[NH3+] 43454572 573816037 /nfs/dbraw/zinc/81/60/37/573816037.db2.gz JLLOFIUPAWPJGN-LLVKDONJSA-N 1 1 186.343 2.093 10 0 AEAEMO CCCC[N@H+]1CCC(C)(C)[C@@H](CO)C1 259198739 573816080 /nfs/dbraw/zinc/81/60/80/573816080.db2.gz IRHLXOQPWIOYPA-LLVKDONJSA-N 1 1 199.338 2.127 10 0 AEAEMO CC(=O)C[C@H](C)[N@H+]1CCCC[C@@H]1C 84273420 573816717 /nfs/dbraw/zinc/81/67/17/573816717.db2.gz SLNBPFGPJWXNMK-UWVGGRQHSA-N 1 1 183.295 2.228 10 0 AEAEMO CCCC[C@H](CN)[N@@H+](C)CCCC 41053092 573820617 /nfs/dbraw/zinc/82/06/17/573820617.db2.gz MCFWUSFRBMFODS-LLVKDONJSA-N 1 1 186.343 2.236 10 0 AEAEMO CCCC[C@H](C[NH3+])N(C)CCCC 41053092 573820622 /nfs/dbraw/zinc/82/06/22/573820622.db2.gz MCFWUSFRBMFODS-LLVKDONJSA-N 1 1 186.343 2.236 10 0 AEAEMO CCCC[C@@H](CN)[N@@H+](CC)CCC 41053115 573817537 /nfs/dbraw/zinc/81/75/37/573817537.db2.gz GWFPALXXBUDFFR-NSHDSACASA-N 1 1 186.343 2.236 10 0 AEAEMO CCCC[C@H](C[NH3+])N1CCC(C)CC1 41053036 573817615 /nfs/dbraw/zinc/81/76/15/573817615.db2.gz BCJCAGUDYVUKIW-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO C[N@H+](C1CCCC1)[C@@H](CN)C(C)(C)C 41051555 573817645 /nfs/dbraw/zinc/81/76/45/573817645.db2.gz ZIAOWOZBKGBUTG-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@H](CN)[N@H+]1CCC[C@@H]1CC 41053195 573817695 /nfs/dbraw/zinc/81/76/95/573817695.db2.gz ZNYGJHCWQNAJFF-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CC(C)(C)[C@H]([NH3+])C(=O)c1ccsc1 122775519 573817864 /nfs/dbraw/zinc/81/78/64/573817864.db2.gz FBIGIXZGCGGLFV-SECBINFHSA-N 1 1 197.303 2.304 10 0 AEAEMO CCC[N@@H+](CC)[C@H](CN)C(C)(C)C 41051557 573817875 /nfs/dbraw/zinc/81/78/75/573817875.db2.gz BKOAVLMXHFNNRG-SNVBAGLBSA-N 1 1 186.343 2.092 10 0 AEAEMO CCCC[N@@H+](C)[C@H](CN)C(C)(C)C 41051533 573818027 /nfs/dbraw/zinc/81/80/27/573818027.db2.gz WSPVJQPWJKWVBB-SNVBAGLBSA-N 1 1 186.343 2.092 10 0 AEAEMO CCCCN(C)[C@H](C[NH3+])C(C)(C)C 41051533 573818033 /nfs/dbraw/zinc/81/80/33/573818033.db2.gz WSPVJQPWJKWVBB-SNVBAGLBSA-N 1 1 186.343 2.092 10 0 AEAEMO C[NH2+][C@H](C)C(F)(F)CC1CCC1 257883355 573818297 /nfs/dbraw/zinc/81/82/97/573818297.db2.gz MKXKQAIXAZUZCX-SSDOTTSWSA-N 1 1 177.238 2.420 10 0 AEAEMO CCCN(C1CC1)[C@@H](C[NH3+])C(C)(C)C 41051560 573822357 /nfs/dbraw/zinc/82/23/57/573822357.db2.gz UZCZKHDEEUQCJC-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@H](CN)[N@@H+](C)C1CCCC1 41053114 573818598 /nfs/dbraw/zinc/81/85/98/573818598.db2.gz IERQPSAZMQPDLF-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@H](CN)[N@@H+](C)[C@@H](C)CC 41053125 573818611 /nfs/dbraw/zinc/81/86/11/573818611.db2.gz JSVYPVRIIRHXDW-QWRGUYRKSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[C@H](C)[C@@H](C)[N@H+]1CC[C@@](C)(CN)C1 308447525 573820450 /nfs/dbraw/zinc/82/04/50/573820450.db2.gz AAFSGPOKLQFEGP-TUAOUCFPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[N@H+](C1CC1)[C@H](CN)C(C)(C)C 41051561 573819797 /nfs/dbraw/zinc/81/97/97/573819797.db2.gz UZCZKHDEEUQCJC-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCN(C1CC1)[C@H](C[NH3+])C(C)(C)C 41051561 573819803 /nfs/dbraw/zinc/81/98/03/573819803.db2.gz UZCZKHDEEUQCJC-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](C(C)C)[C@H](CN)C(C)(C)C 41051551 573820147 /nfs/dbraw/zinc/82/01/47/573820147.db2.gz HDSWAPBUPDPRSD-SNVBAGLBSA-N 1 1 186.343 2.090 10 0 AEAEMO CCCC[C@@H](CN)[N@H+]1CCCC[C@@H]1C 41053043 573820230 /nfs/dbraw/zinc/82/02/30/573820230.db2.gz IFFQDHDKIVIKPY-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@H](CN)[N@@H+](CC)C(C)C 41053109 573820324 /nfs/dbraw/zinc/82/03/24/573820324.db2.gz IDRTZDCXSVFFKJ-NSHDSACASA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[C@@H](CN)[N@H+]1CCC[C@@H]1CC 41053194 573820336 /nfs/dbraw/zinc/82/03/36/573820336.db2.gz ZNYGJHCWQNAJFF-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[N@@H+](C(C)C)[C@@H](CN)C(C)(C)C 41051550 573820366 /nfs/dbraw/zinc/82/03/66/573820366.db2.gz HDSWAPBUPDPRSD-JTQLQIEISA-N 1 1 186.343 2.090 10 0 AEAEMO CCCC[N@@H+](C)[C@@H](CN)C(C)(C)C 41051532 573820404 /nfs/dbraw/zinc/82/04/04/573820404.db2.gz WSPVJQPWJKWVBB-JTQLQIEISA-N 1 1 186.343 2.092 10 0 AEAEMO CCCCN(C)[C@@H](C[NH3+])C(C)(C)C 41051532 573820414 /nfs/dbraw/zinc/82/04/14/573820414.db2.gz WSPVJQPWJKWVBB-JTQLQIEISA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)[C@@H](CN)C(C)(C)C 41051566 573820426 /nfs/dbraw/zinc/82/04/26/573820426.db2.gz SSOXJSKZFHORTI-ZJUUUORDSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C)[C@@H](C)[N@@H+]1CC[C@@](C)(CN)C1 308447525 573820440 /nfs/dbraw/zinc/82/04/40/573820440.db2.gz AAFSGPOKLQFEGP-TUAOUCFPSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@]1(CO)CCC[N@H+]1CC(C)(C)C 308446729 573821474 /nfs/dbraw/zinc/82/14/74/573821474.db2.gz MVQFZUGYBIWYLZ-LBPRGKRZSA-N 1 1 199.338 2.269 10 0 AEAEMO CCCC[C@H](CN)[N@@H+](CC)CCC 41053116 573821534 /nfs/dbraw/zinc/82/15/34/573821534.db2.gz GWFPALXXBUDFFR-LLVKDONJSA-N 1 1 186.343 2.236 10 0 AEAEMO CC[C@H](C)[C@@H](C)[N@@H+]1CC[C@](C)(CN)C1 308447522 573821766 /nfs/dbraw/zinc/82/17/66/573821766.db2.gz AAFSGPOKLQFEGP-QJPTWQEYSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)[C@@H](C)[N@H+]1CC[C@](C)(CN)C1 308447522 573821773 /nfs/dbraw/zinc/82/17/73/573821773.db2.gz AAFSGPOKLQFEGP-QJPTWQEYSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H](CN)[N@@H+](C)C[C@@H](C)CC 94249451 573821832 /nfs/dbraw/zinc/82/18/32/573821832.db2.gz MVXWSYKYHKDZFP-WDEREUQCSA-N 1 1 186.343 2.092 10 0 AEAEMO CCCC[C@@H](CN)[N@@H+](C)C1CCCC1 41053113 573821963 /nfs/dbraw/zinc/82/19/63/573821963.db2.gz IERQPSAZMQPDLF-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@H](C[NH3+])N1CCC(C)CC1 41053035 573822026 /nfs/dbraw/zinc/82/20/26/573822026.db2.gz BCJCAGUDYVUKIW-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@H](CN)[N@@H+](C)C[C@@H](C)CC 94249450 573822210 /nfs/dbraw/zinc/82/22/10/573822210.db2.gz MVXWSYKYHKDZFP-QWRGUYRKSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[N@H+](C1CC1)[C@@H](CN)C(C)(C)C 41051560 573822355 /nfs/dbraw/zinc/82/23/55/573822355.db2.gz UZCZKHDEEUQCJC-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[C@](C)(CN)[N@@H+](C)C1CCCC1 41053605 573826911 /nfs/dbraw/zinc/82/69/11/573826911.db2.gz FAKLRRZNNPHHQC-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)[N@H+](C)C[C@]1(C)CCCCN1 127339368 573827830 /nfs/dbraw/zinc/82/78/30/573827830.db2.gz MAARXHJUMBVXRU-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C)[N@@H+](C)C[C@]1(C)CCCCN1 127339368 573827835 /nfs/dbraw/zinc/82/78/35/573827835.db2.gz MAARXHJUMBVXRU-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H]1CCC[N@H+]1[C@@](C)(CN)C(C)C 41053685 573828424 /nfs/dbraw/zinc/82/84/24/573828424.db2.gz UVIBTGDVVVFEMK-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[N@@H+]1CCCC[C@@H]1C(C)(C)CN 259573170 573829389 /nfs/dbraw/zinc/82/93/89/573829389.db2.gz YBINNMAGZHIUHP-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@@H]1C(C)(C)CN 259573170 573829393 /nfs/dbraw/zinc/82/93/93/573829393.db2.gz YBINNMAGZHIUHP-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](CCO)[C@H](C)c1cccs1 393593019 573829210 /nfs/dbraw/zinc/82/92/10/573829210.db2.gz ZIKCNMBADVAKIV-SECBINFHSA-N 1 1 199.319 2.123 10 0 AEAEMO CCC[N@@H+](CC)CCC(=O)C(C)C 308451006 573833323 /nfs/dbraw/zinc/83/33/23/573833323.db2.gz DJSXAGUHDNIEMN-UHFFFAOYSA-N 1 1 185.311 2.334 10 0 AEAEMO CC[N@H+](C)CC1(CN)CCCCCC1 84330044 573832632 /nfs/dbraw/zinc/83/26/32/573832632.db2.gz NLOQEFRJQSDOML-UHFFFAOYSA-N 1 1 198.354 2.237 10 0 AEAEMO CC[N@@H+](C)CC1(CN)CCCCCC1 84330044 573832637 /nfs/dbraw/zinc/83/26/37/573832637.db2.gz NLOQEFRJQSDOML-UHFFFAOYSA-N 1 1 198.354 2.237 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCCCNC(C)(C)C1 259572893 573832886 /nfs/dbraw/zinc/83/28/86/573832886.db2.gz YSMZNLXUCRVPAF-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@H+]1CC[C@H](OC(C)(C)C)C1 308446043 573832976 /nfs/dbraw/zinc/83/29/76/573832976.db2.gz BEAOMTCPIATWKZ-JTQLQIEISA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@@H](C(N)=[NH2+])[N@@H+](CC(C)C)C(C)C 43541650 573833406 /nfs/dbraw/zinc/83/34/06/573833406.db2.gz LGKVJWGSBIBFHR-JTQLQIEISA-N 1 1 199.342 2.067 10 0 AEAEMO CC[C@@H](C(N)=[NH2+])N(CC(C)C)C(C)C 43541650 573833409 /nfs/dbraw/zinc/83/34/09/573833409.db2.gz LGKVJWGSBIBFHR-JTQLQIEISA-N 1 1 199.342 2.067 10 0 AEAEMO N[C@H](C[NH2+]C1CCC1)C1CCCCC1 258153652 573833936 /nfs/dbraw/zinc/83/39/36/573833936.db2.gz HHVJJFZNGSBSPI-GFCCVEGCSA-N 1 1 196.338 2.036 10 0 AEAEMO CCC/C=C/CC[N@@H+](C)CCOC 308448574 573837165 /nfs/dbraw/zinc/83/71/65/573837165.db2.gz CIHQYMGENXFPFN-VOTSOKGWSA-N 1 1 185.311 2.311 10 0 AEAEMO CCC[C@@H]1C[C@H]1[NH2+]C[C@@H](N)[C@H](C)CC 308448615 573837249 /nfs/dbraw/zinc/83/72/49/573837249.db2.gz BMPRPVAAYNOVEW-DDHJBXDOSA-N 1 1 198.354 2.138 10 0 AEAEMO CCCCC[N@@H+]1CCC(=O)C1(C)C 259207705 573838366 /nfs/dbraw/zinc/83/83/66/573838366.db2.gz CJVWQFBVCWNSCX-UHFFFAOYSA-N 1 1 183.295 2.230 10 0 AEAEMO CCCCC[N@H+]1CCC(=O)C1(C)C 259207705 573838372 /nfs/dbraw/zinc/83/83/72/573838372.db2.gz CJVWQFBVCWNSCX-UHFFFAOYSA-N 1 1 183.295 2.230 10 0 AEAEMO CC(C)C[C@H]1CC[C@@]2(C)NCC[N@@H+]2C1 238158455 573842729 /nfs/dbraw/zinc/84/27/29/573842729.db2.gz CGROSEWKMFJOPD-NEPJUHHUSA-N 1 1 196.338 2.064 10 0 AEAEMO CC(C)C[C@H]1CC[C@@]2(C)NCC[N@H+]2C1 238158455 573842731 /nfs/dbraw/zinc/84/27/31/573842731.db2.gz CGROSEWKMFJOPD-NEPJUHHUSA-N 1 1 196.338 2.064 10 0 AEAEMO Cc1c[nH+]c(N)c2c(F)cccc12 259623187 573844958 /nfs/dbraw/zinc/84/49/58/573844958.db2.gz FOBDYLROGMQPPM-UHFFFAOYSA-N 1 1 176.194 2.265 10 0 AEAEMO CC[N@H+]1CCC[C@@H](CC2(O)CCC2)C1 258158886 573845615 /nfs/dbraw/zinc/84/56/15/573845615.db2.gz WQZYVNABIUNFOC-NSHDSACASA-N 1 1 197.322 2.023 10 0 AEAEMO CC1(C)CC[N@H+](C[C@H](N)C(C)(C)C)C1 87252366 573848027 /nfs/dbraw/zinc/84/80/27/573848027.db2.gz BYPPQVJPGAJVJI-JTQLQIEISA-N 1 1 198.354 2.092 10 0 AEAEMO CC1(C)CCN(C[C@H]([NH3+])C(C)(C)C)C1 87252366 573848034 /nfs/dbraw/zinc/84/80/34/573848034.db2.gz BYPPQVJPGAJVJI-JTQLQIEISA-N 1 1 198.354 2.092 10 0 AEAEMO CC1(C)CC[N@H+](C[C@@H](N)C(C)(C)C)C1 87252368 573848563 /nfs/dbraw/zinc/84/85/63/573848563.db2.gz BYPPQVJPGAJVJI-SNVBAGLBSA-N 1 1 198.354 2.092 10 0 AEAEMO CC1(C)CCN(C[C@@H]([NH3+])C(C)(C)C)C1 87252368 573848567 /nfs/dbraw/zinc/84/85/67/573848567.db2.gz BYPPQVJPGAJVJI-SNVBAGLBSA-N 1 1 198.354 2.092 10 0 AEAEMO CC1(C)C[C@@H](N)C[N@H+]1C1CCCCC1 259209385 573848797 /nfs/dbraw/zinc/84/87/97/573848797.db2.gz CJZZNCWOIFVJPG-SNVBAGLBSA-N 1 1 196.338 2.131 10 0 AEAEMO CC(C)C[C@@H](CN)[N@H+]1CCC(C)(C)C1 87251425 573848849 /nfs/dbraw/zinc/84/88/49/573848849.db2.gz RJTSZJFKYGIYQO-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[N@@H+](CC(C)C)[C@@H](CN)C1CC1 308451912 573850005 /nfs/dbraw/zinc/85/00/05/573850005.db2.gz BTRXYAIMYXXZEK-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC1(C)CC[N@H+]([C@@H]2CCCC(=O)C2)C1 87256871 573850346 /nfs/dbraw/zinc/85/03/46/573850346.db2.gz MXFGNIKCYWNABZ-SNVBAGLBSA-N 1 1 195.306 2.230 10 0 AEAEMO CC1(C)CC[N@H+]([C@H]2CCCC(=O)C2)C1 87256873 573852111 /nfs/dbraw/zinc/85/21/11/573852111.db2.gz MXFGNIKCYWNABZ-JTQLQIEISA-N 1 1 195.306 2.230 10 0 AEAEMO CCCCC[N@H+]1C[C@H](O)CC1(C)C 259212592 573852392 /nfs/dbraw/zinc/85/23/92/573852392.db2.gz COYPHCAEIMORCE-SNVBAGLBSA-N 1 1 185.311 2.022 10 0 AEAEMO CC1(C)CC[N@@H+](C[C@@H]2CCCC2=O)C1 87258554 573852620 /nfs/dbraw/zinc/85/26/20/573852620.db2.gz ZJJZDMPIVOPVLC-JTQLQIEISA-N 1 1 195.306 2.088 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)CC1CC(O)C1 308454073 573853584 /nfs/dbraw/zinc/85/35/84/573853584.db2.gz DGPXNABIRZEUSO-UNXYVOJBSA-N 1 1 199.338 2.124 10 0 AEAEMO CC(=O)C[C@H](C)[N@H+]1CCC(C)(C)C1 87256893 573853602 /nfs/dbraw/zinc/85/36/02/573853602.db2.gz OWHZOACNARAAOL-VIFPVBQESA-N 1 1 183.295 2.086 10 0 AEAEMO CCCC[N@H+]1CC[C@H](CO)CC1(C)C 259212708 573854405 /nfs/dbraw/zinc/85/44/05/573854405.db2.gz CPXRBBZNCUKWJG-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CC1(C)CC[N@H+]([C@H]2CCC[C@H](O)C2)C1 87257893 573853698 /nfs/dbraw/zinc/85/36/98/573853698.db2.gz KTFMHCUAIOTQIQ-QWRGUYRKSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@]1([C@@H]2CCCN2C)CCCC[NH2+]1 258161305 573853779 /nfs/dbraw/zinc/85/37/79/573853779.db2.gz KYFHFUHJNGKWBX-NWDGAFQWSA-N 1 1 196.338 2.003 10 0 AEAEMO CCCC[N@H+]1CC[C@@H](CO)CC1(C)C 259212705 573853939 /nfs/dbraw/zinc/85/39/39/573853939.db2.gz CPXRBBZNCUKWJG-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@]1([C@H]2CCCN2C)CCCC[NH2+]1 258161304 573853987 /nfs/dbraw/zinc/85/39/87/573853987.db2.gz KYFHFUHJNGKWBX-NEPJUHHUSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@]1([C@H]2CCCN2C)CCCC[NH2+]1 258161307 573854122 /nfs/dbraw/zinc/85/41/22/573854122.db2.gz KYFHFUHJNGKWBX-VXGBXAGGSA-N 1 1 196.338 2.003 10 0 AEAEMO CC(C)C[C@@H](C)[N@@H+](C)CC1CC(O)C1 308454075 573854154 /nfs/dbraw/zinc/85/41/54/573854154.db2.gz DGPXNABIRZEUSO-VOMCLLRMSA-N 1 1 199.338 2.124 10 0 AEAEMO CC(=O)C(C)(C)C[N@H+]1CCC(C)(C)C1 87258577 573854176 /nfs/dbraw/zinc/85/41/76/573854176.db2.gz WVLCKDRDUHJNSE-UHFFFAOYSA-N 1 1 197.322 2.334 10 0 AEAEMO CC1(C)CC[N@H+](CC(=O)C(C)(C)C)C1 87256907 573854188 /nfs/dbraw/zinc/85/41/88/573854188.db2.gz CKDBWXXDPMTEGD-UHFFFAOYSA-N 1 1 197.322 2.334 10 0 AEAEMO CC(=O)C[C@@H](C)[N@H+]1CCC(C)(C)C1 87256894 573855478 /nfs/dbraw/zinc/85/54/78/573855478.db2.gz OWHZOACNARAAOL-SECBINFHSA-N 1 1 183.295 2.086 10 0 AEAEMO C[C@]12CCCN1c1ccccc1C[NH2+]2 238542634 573855397 /nfs/dbraw/zinc/85/53/97/573855397.db2.gz KCVSIYMYCYGXAL-GFCCVEGCSA-N 1 1 188.274 2.106 10 0 AEAEMO CCC(=O)[C@@H](C)[N@H+]1CCC(C)(C)C1 87256855 573855398 /nfs/dbraw/zinc/85/53/98/573855398.db2.gz ZUPZCFMGZDXWFP-SECBINFHSA-N 1 1 183.295 2.086 10 0 AEAEMO C[C@H](O)C(C)(C)C[N@H+]1CCC(C)(C)C1 87258769 573855540 /nfs/dbraw/zinc/85/55/40/573855540.db2.gz YFXACYAZOUPGAV-JTQLQIEISA-N 1 1 199.338 2.125 10 0 AEAEMO CC1(C)CC[N@H+]([C@@H]2CCCCC2=O)C1 87256880 573856195 /nfs/dbraw/zinc/85/61/95/573856195.db2.gz QBLMDZFFGLNBKV-SNVBAGLBSA-N 1 1 195.306 2.230 10 0 AEAEMO c1c[nH+]c2c(c1)NC[C@@H]1CCC[C@H]1N2 87261590 573857860 /nfs/dbraw/zinc/85/78/60/573857860.db2.gz OMCNKDWJONQIEC-DTWKUNHWSA-N 1 1 189.262 2.088 10 0 AEAEMO c1c[nH+]c2c(c1)NCC1(CCCC1)N2 87261662 573857874 /nfs/dbraw/zinc/85/78/74/573857874.db2.gz UQTJXIHFBLZOFC-UHFFFAOYSA-N 1 1 189.262 2.232 10 0 AEAEMO CC[C@]1(C)CNc2ccc[nH+]c2N1 87261693 573857904 /nfs/dbraw/zinc/85/79/04/573857904.db2.gz MIZBZEYZYPYSNH-SNVBAGLBSA-N 1 1 177.251 2.088 10 0 AEAEMO Cc1c[nH+]c2c(c1)NC[C@@H](C(C)C)N2 87260736 573859369 /nfs/dbraw/zinc/85/93/69/573859369.db2.gz DDBFCDAMILYMMK-JTQLQIEISA-N 1 1 191.278 2.252 10 0 AEAEMO CC[C@H]1CNc2cc(C)c[nH+]c2N1 87261192 573859429 /nfs/dbraw/zinc/85/94/29/573859429.db2.gz WDGMSYYZGOXBTJ-QMMMGPOBSA-N 1 1 177.251 2.006 10 0 AEAEMO Cc1c[nH+]c2c(c1)NC[C@H](C1CC1)N2 87262425 573859588 /nfs/dbraw/zinc/85/95/88/573859588.db2.gz VCAHTHIYBCKSFH-SNVBAGLBSA-N 1 1 189.262 2.006 10 0 AEAEMO Cc1c[nH+]c2c(c1)NC[C@@H](C1CC1)N2 87262424 573859631 /nfs/dbraw/zinc/85/96/31/573859631.db2.gz VCAHTHIYBCKSFH-JTQLQIEISA-N 1 1 189.262 2.006 10 0 AEAEMO CC[C@@H]1CNc2cc(C)c[nH+]c2N1 87261191 573859650 /nfs/dbraw/zinc/85/96/50/573859650.db2.gz WDGMSYYZGOXBTJ-MRVPVSSYSA-N 1 1 177.251 2.006 10 0 AEAEMO CC[C@]1(C)CNc2cc(C)c[nH+]c2N1 87261703 573859739 /nfs/dbraw/zinc/85/97/39/573859739.db2.gz GBDUWSVASKOFMA-LLVKDONJSA-N 1 1 191.278 2.396 10 0 AEAEMO CC[C@@H](C)[C@@H]1CNc2ccc[nH+]c2N1 87261049 573859898 /nfs/dbraw/zinc/85/98/98/573859898.db2.gz SPDNQJLZYLCNDD-SCZZXKLOSA-N 1 1 191.278 2.334 10 0 AEAEMO CC[C@H]1CNc2cc(C)c[nH+]c2N1C 87262290 573859921 /nfs/dbraw/zinc/85/99/21/573859921.db2.gz SPUZTPLOIWSMRN-VIFPVBQESA-N 1 1 191.278 2.030 10 0 AEAEMO Cc1nc(C)c(-c2ccccc2N)[nH]1 257890421 573859975 /nfs/dbraw/zinc/85/99/75/573859975.db2.gz NJPGRAAOWMKXBY-UHFFFAOYSA-N 1 1 187.246 2.276 10 0 AEAEMO Cc1[nH]c(C)c(-c2ccccc2N)[nH+]1 257890421 573859980 /nfs/dbraw/zinc/85/99/80/573859980.db2.gz NJPGRAAOWMKXBY-UHFFFAOYSA-N 1 1 187.246 2.276 10 0 AEAEMO CC(C)[N@H+]1CCC[C@](O)(C2CC2)CC1 84375390 573860159 /nfs/dbraw/zinc/86/01/59/573860159.db2.gz CUIUDLNDNYFAHI-GFCCVEGCSA-N 1 1 197.322 2.022 10 0 AEAEMO CCN1c2[nH+]cccc2NCC[C@@H]1C 87262181 573860198 /nfs/dbraw/zinc/86/01/98/573860198.db2.gz VZBQPGUFJRFBTP-VIFPVBQESA-N 1 1 191.278 2.112 10 0 AEAEMO CCC[C@H]1CNc2ccc[nH+]c2NC1 87262502 573860260 /nfs/dbraw/zinc/86/02/60/573860260.db2.gz SMUFTTHYLGPMRP-VIFPVBQESA-N 1 1 191.278 2.335 10 0 AEAEMO CC[N@H+]1CCC[C@](O)(C(C)(C)C)CC1 84375380 573860300 /nfs/dbraw/zinc/86/03/00/573860300.db2.gz FERNDWROVDHNRW-GFCCVEGCSA-N 1 1 199.338 2.269 10 0 AEAEMO CCCN1CCNc2cc(C)c[nH+]c21 87261320 573860350 /nfs/dbraw/zinc/86/03/50/573860350.db2.gz DZJIEVDYVKWLBO-UHFFFAOYSA-N 1 1 191.278 2.032 10 0 AEAEMO CC[C@@]1(C)CNc2cc(C)c[nH+]c2N1 87261704 573860406 /nfs/dbraw/zinc/86/04/06/573860406.db2.gz GBDUWSVASKOFMA-NSHDSACASA-N 1 1 191.278 2.396 10 0 AEAEMO CCC[N@H+]1CCC[C@@](O)(C2CC2)CC1 84375387 573860605 /nfs/dbraw/zinc/86/06/05/573860605.db2.gz LOVWLHMRXLIFQB-LBPRGKRZSA-N 1 1 197.322 2.023 10 0 AEAEMO CCC[C@@H]1CNc2ccc[nH+]c2NC1 87262501 573860705 /nfs/dbraw/zinc/86/07/05/573860705.db2.gz SMUFTTHYLGPMRP-SECBINFHSA-N 1 1 191.278 2.335 10 0 AEAEMO CCC[C@H]([NH2+]C)[C@@H](CC)N1CCCC1 43807144 573862913 /nfs/dbraw/zinc/86/29/13/573862913.db2.gz FQODTKGICHRHQM-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)C[C@]1(C)NC(C)(C)C[C@H](C)[NH2+]1 238170946 573863338 /nfs/dbraw/zinc/86/33/38/573863338.db2.gz JUUPOOUSUFLZCW-JQWIXIFHSA-N 1 1 198.354 2.499 10 0 AEAEMO CC[N@H+]1CCC[C@@](O)(C(C)(C)C)CC1 84375381 573863677 /nfs/dbraw/zinc/86/36/77/573863677.db2.gz FERNDWROVDHNRW-LBPRGKRZSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@@H]([NH2+]C)[C@@H](CC)N1CCCC1 43807145 573863982 /nfs/dbraw/zinc/86/39/82/573863982.db2.gz FQODTKGICHRHQM-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](NC)[C@H](C)[NH+]1CCCCCC1 43812029 573868976 /nfs/dbraw/zinc/86/89/76/573868976.db2.gz ZTFSMSDNLVDYSZ-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(C)(C)C[NH2+]C(C)(C)CNC 258974560 573867861 /nfs/dbraw/zinc/86/78/61/573867861.db2.gz ZFNLORXQGGRNFO-UHFFFAOYSA-N 1 1 186.343 2.010 10 0 AEAEMO CC[C@@H](CO)C[N@@H+](C)CC1CCCC1 258974721 573868341 /nfs/dbraw/zinc/86/83/41/573868341.db2.gz LPXBIIKNVRVMRQ-LLVKDONJSA-N 1 1 199.338 2.127 10 0 AEAEMO CCC[NH+](CCC)C[C@@H](C)NCC 43814791 573868459 /nfs/dbraw/zinc/86/84/59/573868459.db2.gz DTGLDEBYZMTCSM-LLVKDONJSA-N 1 1 186.343 2.106 10 0 AEAEMO CCCC[C@H](C)[N@H+]1CC[C@H](OC)C1 308458598 573868714 /nfs/dbraw/zinc/86/87/14/573868714.db2.gz GUSRMZIOWASICR-QWRGUYRKSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@H]1CCC[N@@H+](CC[C@@H](C)[NH2+]C)C1 43896721 573868720 /nfs/dbraw/zinc/86/87/20/573868720.db2.gz RKUOZRNEVLJGON-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)(C)c1nc2c(s1)C[NH2+]C2 84343605 573868850 /nfs/dbraw/zinc/86/88/50/573868850.db2.gz FXAGMULALNSHKF-UHFFFAOYSA-N 1 1 182.292 2.044 10 0 AEAEMO CC[C@@H](NC)[C@@H](C)[NH+]1CCCCCC1 43812028 573869134 /nfs/dbraw/zinc/86/91/34/573869134.db2.gz ZTFSMSDNLVDYSZ-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[NH+](CCC)[C@@H](C)[C@@H](C)NC 43814749 573869148 /nfs/dbraw/zinc/86/91/48/573869148.db2.gz WNYMGQGEBWWHPZ-MNOVXSKESA-N 1 1 186.343 2.105 10 0 AEAEMO CC[C@](C)([C@H](C)O)[N@@H+](C)C[C@H]1C[C@H]1C 393669658 573869286 /nfs/dbraw/zinc/86/92/86/573869286.db2.gz RQEGPYLYMBJLFK-WRWGMCAJSA-N 1 1 199.338 2.124 10 0 AEAEMO CN[C@H](C)C[N@H+](C)[C@H]1CCC[C@@H](C)C1 43968361 573869501 /nfs/dbraw/zinc/86/95/01/573869501.db2.gz YSNHGWMBCUJHHH-UTUOFQBUSA-N 1 1 198.354 2.105 10 0 AEAEMO CN[C@H](C)C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 43968361 573869506 /nfs/dbraw/zinc/86/95/06/573869506.db2.gz YSNHGWMBCUJHHH-UTUOFQBUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C(F)(F)[C@H]1CC[N@@H+](C)C1 258979832 573870054 /nfs/dbraw/zinc/87/00/54/573870054.db2.gz JIWYHZMULDCHDR-QMMMGPOBSA-N 1 1 177.238 2.229 10 0 AEAEMO Cc1[nH+]c(N)ccc1OC1CCCC1 238550587 573870214 /nfs/dbraw/zinc/87/02/14/573870214.db2.gz QLGSLIOJSWXYBD-UHFFFAOYSA-N 1 1 192.262 2.294 10 0 AEAEMO CC(=O)CC[N@@H+](C)CCC1CCC1 258978110 573870309 /nfs/dbraw/zinc/87/03/09/573870309.db2.gz WANQCQOQGSAKTI-UHFFFAOYSA-N 1 1 183.295 2.088 10 0 AEAEMO CCCC[N@@H+](CC)CC[C@@H](C)[NH2+]C 43817545 573870365 /nfs/dbraw/zinc/87/03/65/573870365.db2.gz HFLAEOAYRPSZSR-LLVKDONJSA-N 1 1 186.343 2.106 10 0 AEAEMO CC[C@](C)([C@H](C)O)[N@@H+](C)C[C@@H]1C[C@@H]1C 393669655 573870436 /nfs/dbraw/zinc/87/04/36/573870436.db2.gz RQEGPYLYMBJLFK-FIQHERPVSA-N 1 1 199.338 2.124 10 0 AEAEMO CCCCCC[N@@H+](CCN)C(C)C 41160538 573872054 /nfs/dbraw/zinc/87/20/54/573872054.db2.gz WFTSPXFOAGDQHE-UHFFFAOYSA-N 1 1 186.343 2.236 10 0 AEAEMO CCCCCCN(CC[NH3+])C(C)C 41160538 573872060 /nfs/dbraw/zinc/87/20/60/573872060.db2.gz WFTSPXFOAGDQHE-UHFFFAOYSA-N 1 1 186.343 2.236 10 0 AEAEMO Cc1nc(-c2ccc3[nH]cnc3c2)c[nH]1 259216552 573871866 /nfs/dbraw/zinc/87/18/66/573871866.db2.gz YXTTZIRIJGYNQI-UHFFFAOYSA-N 1 1 198.229 2.261 10 0 AEAEMO CC[C@H](NC)[C@@H](C)[NH+]1CCCCCC1 43812027 573871959 /nfs/dbraw/zinc/87/19/59/573871959.db2.gz ZTFSMSDNLVDYSZ-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)CC[C@@H](C)[NH2+]C 43888677 573873600 /nfs/dbraw/zinc/87/36/00/573873600.db2.gz KTZJRCHYENHUGC-MNOVXSKESA-N 1 1 186.343 2.105 10 0 AEAEMO CCC[N@@H+](C[C@H](C)NCC)C(C)C 43885142 573873074 /nfs/dbraw/zinc/87/30/74/573873074.db2.gz JSDRMSNAYLBSDA-NSHDSACASA-N 1 1 186.343 2.105 10 0 AEAEMO CCC[C@H](C)C[C@@]1(O)C[C@H](C)[N@@H+](C)C1 127489198 573873264 /nfs/dbraw/zinc/87/32/64/573873264.db2.gz GXJPQXHVEUJXQW-SDDRHHMPSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCC[N@@H+](CC)CC[C@H](C)[NH2+]C 43817547 573873383 /nfs/dbraw/zinc/87/33/83/573873383.db2.gz HFLAEOAYRPSZSR-NSHDSACASA-N 1 1 186.343 2.106 10 0 AEAEMO CCC[NH+](CCC)[C@H](C)[C@H](C)NC 43814752 573873732 /nfs/dbraw/zinc/87/37/32/573873732.db2.gz WNYMGQGEBWWHPZ-WDEREUQCSA-N 1 1 186.343 2.105 10 0 AEAEMO CCC[NH+](CCC)[C@@H](C)[C@H](C)NC 43814751 573874797 /nfs/dbraw/zinc/87/47/97/573874797.db2.gz WNYMGQGEBWWHPZ-QWRGUYRKSA-N 1 1 186.343 2.105 10 0 AEAEMO CCC[N@@H+](CC[C@@H](C)[NH2+]C)CC1CC1 43967407 573878780 /nfs/dbraw/zinc/87/87/80/573878780.db2.gz FCBXQERFDRDTFQ-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)CC[N@@H+](CCN)C(C)(C)C 76581137 573878964 /nfs/dbraw/zinc/87/89/64/573878964.db2.gz GYKBBTOBLZVXFM-UHFFFAOYSA-N 1 1 186.343 2.092 10 0 AEAEMO C[NH2+][C@@H](C)CC[N@@H+](CC1CC1)C(C)C 43974497 573878978 /nfs/dbraw/zinc/87/89/78/573878978.db2.gz OKDNBUZRJSCMSF-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO O=C1CCC[N@H+](C[C@@H]2CC=CCC2)C1 402119130 573879991 /nfs/dbraw/zinc/87/99/91/573879991.db2.gz DDWWWVWKNXMEPT-LLVKDONJSA-N 1 1 193.290 2.008 10 0 AEAEMO O=C1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 402119130 573879997 /nfs/dbraw/zinc/87/99/97/573879997.db2.gz DDWWWVWKNXMEPT-LLVKDONJSA-N 1 1 193.290 2.008 10 0 AEAEMO C[NH2+][C@H](C)CC[N@@H+](CC(C)C)C1CC1 43972234 573880223 /nfs/dbraw/zinc/88/02/23/573880223.db2.gz QVIRENODAACUKP-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@@H+](C)C1CCCC1 44128685 573882084 /nfs/dbraw/zinc/88/20/84/573882084.db2.gz FEXCXKOJHFVKKE-ONGXEEELSA-N 1 1 185.311 2.020 10 0 AEAEMO CC(C)C[N@@H+](C)[C@H]1CCO[C@@H](C)C1 306345026 573881508 /nfs/dbraw/zinc/88/15/08/573881508.db2.gz OQBMIHRQCGGJCK-QWRGUYRKSA-N 1 1 185.311 2.142 10 0 AEAEMO CCC[C@H](O)[C@H](CC)n1cc[nH+]c1C 44180947 573881942 /nfs/dbraw/zinc/88/19/42/573881942.db2.gz FLMUDXFUVDLMGZ-QWRGUYRKSA-N 1 1 196.294 2.304 10 0 AEAEMO CCC[N@@H+](CC)[C@@H]1CCCCC[C@@H]1O 44130321 573882236 /nfs/dbraw/zinc/88/22/36/573882236.db2.gz ITXPJMCUBVFFPN-NEPJUHHUSA-N 1 1 199.338 2.412 10 0 AEAEMO CC[C@H]1CCC[N@@H+]1[C@@H](C)[C@H](O)CC 44112755 573882386 /nfs/dbraw/zinc/88/23/86/573882386.db2.gz SIVJWWMFKIXMSC-GARJFASQSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@@H](O)[C@@H](C)[N@@H+](C)C1CCCCC1 44120769 573882420 /nfs/dbraw/zinc/88/24/20/573882420.db2.gz ZONXMNUSUGBFTN-ZYHUDNBSSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[C@@H](O)[C@H](C)[N@@H+](C)C1CCCCC1 44120778 573882430 /nfs/dbraw/zinc/88/24/30/573882430.db2.gz ZONXMNUSUGBFTN-CMPLNLGQSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@@H+](CC(C)C)C1CC1 44170390 573882630 /nfs/dbraw/zinc/88/26/30/573882630.db2.gz DFEAXXNUIYNDQS-JQWIXIFHSA-N 1 1 199.338 2.266 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@@H+](C)C1CCCCC1 44120774 573882781 /nfs/dbraw/zinc/88/27/81/573882781.db2.gz ZONXMNUSUGBFTN-JQWIXIFHSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[C@@H]1CCC[N@H+]([C@@H](C)[C@H](O)CC)C1 44133725 573883120 /nfs/dbraw/zinc/88/31/20/573883120.db2.gz OEOHNWICSVHUMR-QJPTWQEYSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)[C@@H]1CCCCC[C@@H]1O 44126257 573885151 /nfs/dbraw/zinc/88/51/51/573885151.db2.gz ZFGMLOANPXQJQQ-UTUOFQBUSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[C@H]1CC[C@H](O)[C@H]([N@@H+](C)CC)C1 44127744 573885176 /nfs/dbraw/zinc/88/51/76/573885176.db2.gz WJAVVBTYQKTGCK-TUAOUCFPSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H]1CCC[N@@H+](CCC2(O)CC2)CC1 336170938 573884741 /nfs/dbraw/zinc/88/47/41/573884741.db2.gz NVWUMENPKOKCQI-LLVKDONJSA-N 1 1 197.322 2.023 10 0 AEAEMO C[C@@H]([C@@H](C)O)[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 44168804 573885195 /nfs/dbraw/zinc/88/51/95/573885195.db2.gz LIMSGWOQCNPXQS-WRWGMCAJSA-N 1 1 199.338 2.266 10 0 AEAEMO CC[C@H](O)[C@@H](C)[N@@H+](CC(C)C)C1CC1 44170380 573884790 /nfs/dbraw/zinc/88/47/90/573884790.db2.gz DFEAXXNUIYNDQS-PWSUYJOCSA-N 1 1 199.338 2.266 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@@H+](C)[C@@H](C)C(C)C 44159687 573885014 /nfs/dbraw/zinc/88/50/14/573885014.db2.gz ANCTVKITWWVRMV-DCAQKATOSA-N 1 1 187.327 2.122 10 0 AEAEMO CC[C@H]1CCCC[N@@H+]1[C@@H](C)[C@H](O)CC 44129006 573885050 /nfs/dbraw/zinc/88/50/50/573885050.db2.gz BJTUDVFACAFDMW-SDDRHHMPSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1[C@@H](C)[C@@H](C)O 44129125 573888242 /nfs/dbraw/zinc/88/82/42/573888242.db2.gz IGXQYXAFWABASF-AXFHLTTASA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@H]1CC[C@@H](O)[C@H]([N@@H+](C)C2CC2)C1 44129369 573886741 /nfs/dbraw/zinc/88/67/41/573886741.db2.gz HPHOEFGLPVBCFY-MVWJERBFSA-N 1 1 197.322 2.020 10 0 AEAEMO CC[C@@H](O)[C@H](C)[N@@H+](CC)C1CCCC1 44131903 573886750 /nfs/dbraw/zinc/88/67/50/573886750.db2.gz AJONUJCHVUSTAJ-CMPLNLGQSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[C@@H](O)[C@H](C)[N@H+]1CCCC[C@@H]1C 44116247 573886796 /nfs/dbraw/zinc/88/67/96/573886796.db2.gz FJNPGBXWQSRVRF-GARJFASQSA-N 1 1 185.311 2.020 10 0 AEAEMO Cc1ccsc1C(F)(F)[C@@H](C)[NH3+] 259220110 573886831 /nfs/dbraw/zinc/88/68/31/573886831.db2.gz RJHQGJYCGIOWDE-ZCFIWIBFSA-N 1 1 191.246 2.496 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1CCC1(O)CC1 336171288 573886911 /nfs/dbraw/zinc/88/69/11/573886911.db2.gz ZYAJFFSDVVMDSQ-LLVKDONJSA-N 1 1 197.322 2.166 10 0 AEAEMO CC[C@@H](O)[C@H](C)[N@H+]1C[C@@H](C)C[C@@H](C)C1 44113865 573886997 /nfs/dbraw/zinc/88/69/97/573886997.db2.gz NBTZKADFICMOIR-WHOHXGKFSA-N 1 1 199.338 2.124 10 0 AEAEMO C[N@H+]1CC[C@H](CC2(O)CCCCC2)C1 257893176 573888187 /nfs/dbraw/zinc/88/81/87/573888187.db2.gz CSCKNOROOLICSW-LLVKDONJSA-N 1 1 197.322 2.023 10 0 AEAEMO CC[C@H](O)[C@@H](C)[N@@H+](C)[C@@H](C)C(C)C 44159683 573888207 /nfs/dbraw/zinc/88/82/07/573888207.db2.gz ANCTVKITWWVRMV-AXFHLTTASA-N 1 1 187.327 2.122 10 0 AEAEMO CCC[C@@H](O)[C@@H](CC)n1cc[nH+]c1C 44180945 573887694 /nfs/dbraw/zinc/88/76/94/573887694.db2.gz FLMUDXFUVDLMGZ-GHMZBOCLSA-N 1 1 196.294 2.304 10 0 AEAEMO CCC[N@@H+](CC)[C@H]1CCCCC[C@@H]1O 44130324 573887764 /nfs/dbraw/zinc/88/77/64/573887764.db2.gz ITXPJMCUBVFFPN-RYUDHWBXSA-N 1 1 199.338 2.412 10 0 AEAEMO C[C@@H](O)CC[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 44168743 573887778 /nfs/dbraw/zinc/88/77/78/573887778.db2.gz BTCJOSMGVOTPMI-IJLUTSLNSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H](O)[C@@H](CC)[N@@H+](C)CC1CC1 44161693 573888020 /nfs/dbraw/zinc/88/80/20/573888020.db2.gz NZBGVLQZEUIWQM-NEPJUHHUSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H]([N@H+](C)[C@H](C)[C@@H](C)O)C(C)(C)C 44164918 573888171 /nfs/dbraw/zinc/88/81/71/573888171.db2.gz NKJWQLWGKRPPAI-BBBLOLIVSA-N 1 1 187.327 2.122 10 0 AEAEMO [NH3+]C1(c2cc(O)c(F)c(F)c2)CCC1 238562653 573889005 /nfs/dbraw/zinc/88/90/05/573889005.db2.gz OVQCCRHIBKAVPU-UHFFFAOYSA-N 1 1 199.200 2.008 10 0 AEAEMO CC[C@@H](O)[C@H](C)n1cc[nH+]c1C(C)C 44184968 573889131 /nfs/dbraw/zinc/88/91/31/573889131.db2.gz NTBMOTFUSBFEER-VHSXEESVSA-N 1 1 196.294 2.338 10 0 AEAEMO CC[C@@H](O)[C@@H](C)[N@@H+](CC1CC1)C(C)C 44178544 573889160 /nfs/dbraw/zinc/88/91/60/573889160.db2.gz UWYHFQSMHCRTPG-ZYHUDNBSSA-N 1 1 199.338 2.266 10 0 AEAEMO [NH3+]C1(c2cc(F)c(O)cc2F)CCC1 238561602 573891635 /nfs/dbraw/zinc/89/16/35/573891635.db2.gz PZJVTGHKPFSEAV-UHFFFAOYSA-N 1 1 199.200 2.008 10 0 AEAEMO C[C@@H]([C@@H](C)O)[N@@H+](C)CC1CCCCC1 44179004 573891798 /nfs/dbraw/zinc/89/17/98/573891798.db2.gz OBKZRWGFHLMEHZ-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCCC[N@H+]1CC(C)(C)NC[C@H]1C 41209533 573891807 /nfs/dbraw/zinc/89/18/07/573891807.db2.gz MURZJRIBOZBHSX-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCCN1CC(C)(C)[NH2+]C[C@H]1C 41209533 573891814 /nfs/dbraw/zinc/89/18/14/573891814.db2.gz MURZJRIBOZBHSX-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)C[NH2+][C@@H]1CCCc2[nH]ncc21 306352153 573891841 /nfs/dbraw/zinc/89/18/41/573891841.db2.gz YJSTYXLIZBSLIP-SNVBAGLBSA-N 1 1 193.294 2.033 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@@H+](C)CCC(C)C 44178762 573891863 /nfs/dbraw/zinc/89/18/63/573891863.db2.gz AZSXOESKMULRSJ-QWRGUYRKSA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@H](O)[C@H](C)n1cc[nH+]c1C(C)C 44184964 573892082 /nfs/dbraw/zinc/89/20/82/573892082.db2.gz NTBMOTFUSBFEER-UWVGGRQHSA-N 1 1 196.294 2.338 10 0 AEAEMO C[C@H](O)[C@@H](C)[N@@H+](C)CC1CCCCC1 44179010 573892169 /nfs/dbraw/zinc/89/21/69/573892169.db2.gz OBKZRWGFHLMEHZ-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO C[N@H+]1CCC[C@H]1CC1(O)CCCCC1 258174096 573892208 /nfs/dbraw/zinc/89/22/08/573892208.db2.gz XRVXCCYETZXLKY-NSHDSACASA-N 1 1 197.322 2.166 10 0 AEAEMO C[C@H](O)[C@H](C)[N@@H+](C)CC1CCCCC1 44179008 573892496 /nfs/dbraw/zinc/89/24/96/573892496.db2.gz OBKZRWGFHLMEHZ-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H](O)[C@H](C)[N@@H+](C)CCC(C)C 44178764 573892569 /nfs/dbraw/zinc/89/25/69/573892569.db2.gz AZSXOESKMULRSJ-WDEREUQCSA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@H](O)[C@@H](C)n1cc[nH+]c1C(C)C 44184956 573892905 /nfs/dbraw/zinc/89/29/05/573892905.db2.gz NTBMOTFUSBFEER-ZJUUUORDSA-N 1 1 196.294 2.338 10 0 AEAEMO CC[C@H](O)[C@@H](C)[N@@H+](C)CCC(C)C 44178758 573893014 /nfs/dbraw/zinc/89/30/14/573893014.db2.gz AZSXOESKMULRSJ-MNOVXSKESA-N 1 1 187.327 2.124 10 0 AEAEMO Cc1[nH+]c(CC[C@H](C)[NH3+])[nH]c1C(C)C 258519390 573894171 /nfs/dbraw/zinc/89/41/71/573894171.db2.gz GYMUUFYGFMBRHH-QMMMGPOBSA-N 1 1 195.310 2.121 10 0 AEAEMO Cc1[nH]c(CC[C@H](C)[NH3+])nc1C(C)C 258519390 573894175 /nfs/dbraw/zinc/89/41/75/573894175.db2.gz GYMUUFYGFMBRHH-QMMMGPOBSA-N 1 1 195.310 2.121 10 0 AEAEMO Cc1nc(CC[C@H](C)[NH3+])[nH]c1C(C)C 258519390 573894180 /nfs/dbraw/zinc/89/41/80/573894180.db2.gz GYMUUFYGFMBRHH-QMMMGPOBSA-N 1 1 195.310 2.121 10 0 AEAEMO CCCC[C@H](C)[N@H+]1CC[C@](C)(O)C1 308460867 573894424 /nfs/dbraw/zinc/89/44/24/573894424.db2.gz HLFQCMFMAJRLEK-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO CC(=O)C[N@@H+](C)Cc1sccc1C 258990414 573897409 /nfs/dbraw/zinc/89/74/09/573897409.db2.gz XNJIAJATGIUGGV-UHFFFAOYSA-N 1 1 197.303 2.077 10 0 AEAEMO CC(=O)C[N@H+](C)Cc1sccc1C 258990414 573897412 /nfs/dbraw/zinc/89/74/12/573897412.db2.gz XNJIAJATGIUGGV-UHFFFAOYSA-N 1 1 197.303 2.077 10 0 AEAEMO CCCC[C@@H](C)[N@H+]1CC[C@](C)(O)C1 308460861 573897415 /nfs/dbraw/zinc/89/74/15/573897415.db2.gz HLFQCMFMAJRLEK-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO CCCC[C@H](C)[N@H+]1CC[C@@](C)(O)C1 308460872 573897462 /nfs/dbraw/zinc/89/74/62/573897462.db2.gz HLFQCMFMAJRLEK-WDEREUQCSA-N 1 1 185.311 2.022 10 0 AEAEMO C[N@@H+](CC1CC(O)C1)C1CCCCC1 84453709 573899739 /nfs/dbraw/zinc/89/97/39/573899739.db2.gz GVIAKIHXFKGCJM-UHFFFAOYSA-N 1 1 197.322 2.022 10 0 AEAEMO CCc1nc(C[NH3+])[nH]c1C1CCCC1 257902845 573899975 /nfs/dbraw/zinc/89/99/75/573899975.db2.gz YZPSUHXALYCGPU-UHFFFAOYSA-N 1 1 193.294 2.088 10 0 AEAEMO CCCCC[N@@H+]1CC[C@@H](N)C(C)(C)C1 259226228 573905094 /nfs/dbraw/zinc/90/50/94/573905094.db2.gz KRZDUANWYCAOBZ-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCC[N@H+]1CC[C@@H](N)C(C)(C)C1 259226228 573905097 /nfs/dbraw/zinc/90/50/97/573905097.db2.gz KRZDUANWYCAOBZ-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO Cc1ccccc1C(F)(F)[C@H]1CC[NH2+]1 257896036 573906015 /nfs/dbraw/zinc/90/60/15/573906015.db2.gz XXPNAKIVRPKSOD-SNVBAGLBSA-N 1 1 197.228 2.449 10 0 AEAEMO CC[N@H+](CCN)[C@@H]1C=CCCCCC1 308461488 573905713 /nfs/dbraw/zinc/90/57/13/573905713.db2.gz ROHCIDIFFBCHMH-GFCCVEGCSA-N 1 1 196.338 2.156 10 0 AEAEMO CC(=O)CCC[N@H+](C)CCC1CCC1 258999121 573905879 /nfs/dbraw/zinc/90/58/79/573905879.db2.gz WFVYFDUVVBJFJH-UHFFFAOYSA-N 1 1 197.322 2.478 10 0 AEAEMO CNC[C@@H]1CCCC[N@@H+]1CCC(C)C 44412623 573907831 /nfs/dbraw/zinc/90/78/31/573907831.db2.gz CZRUEYKGBHMAON-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CNC[C@@H]1CCCC[N@H+]1CCC(C)C 44412623 573907836 /nfs/dbraw/zinc/90/78/36/573907836.db2.gz CZRUEYKGBHMAON-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CCN[C@@H](C)C[N@H+](CC)C1CCCC1 44471986 573907909 /nfs/dbraw/zinc/90/79/09/573907909.db2.gz ASFQSTLQPNUZNG-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCN[C@@H](C)C[N@@H+](CC)C1CCCC1 44471986 573907912 /nfs/dbraw/zinc/90/79/12/573907912.db2.gz ASFQSTLQPNUZNG-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)C[C@H]([NH3+])c1nnc(C(C)C)o1 11586578 573909427 /nfs/dbraw/zinc/90/94/27/573909427.db2.gz LIMYKVCORAPJKQ-QMMMGPOBSA-N 1 1 197.282 2.239 10 0 AEAEMO CC[N@H+]1CCC=C(CCC(C)(C)O)C1 258179775 573909434 /nfs/dbraw/zinc/90/94/34/573909434.db2.gz SOMFWKRDPQVTBC-UHFFFAOYSA-N 1 1 197.322 2.190 10 0 AEAEMO CC(C)CC(C)(C)C[NH2+]CC1(N)CC1 259232168 573909658 /nfs/dbraw/zinc/90/96/58/573909658.db2.gz YPBRIFVAGLNWKQ-UHFFFAOYSA-N 1 1 198.354 2.140 10 0 AEAEMO CSC[C@H]1CC[N@H+]([C@H](C)C2CC2)C1 393570788 573909768 /nfs/dbraw/zinc/90/97/68/573909768.db2.gz XRBFVMRGXARVGP-ZJUUUORDSA-N 1 1 199.363 2.470 10 0 AEAEMO CC[C@H](O)[C@@H](C)[N@H+]1CCC[C@H](C)CC1 84696699 573912743 /nfs/dbraw/zinc/91/27/43/573912743.db2.gz SKCZTSSGYNEGEX-TUAOUCFPSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)c1ccc(C[N@@H+](C)CO)cc1 259002135 573911814 /nfs/dbraw/zinc/91/18/14/573911814.db2.gz YZNYLSPYRCCQMP-UHFFFAOYSA-N 1 1 193.290 2.192 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@H+]1CCC[C@H](C)CC1 84696703 573912392 /nfs/dbraw/zinc/91/23/92/573912392.db2.gz SKCZTSSGYNEGEX-SRVKXCTJSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H](C)[C@@H](C)[N@H+]1CCCC[C@@H]1CN 44539449 573912514 /nfs/dbraw/zinc/91/25/14/573912514.db2.gz PLRGWMLPRHVYMR-IJLUTSLNSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C(C)C)[N@H+]1CCCC[C@@H]1CN 44539471 573916081 /nfs/dbraw/zinc/91/60/81/573916081.db2.gz MYNQOZIBCQBBIG-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@H+](CC(=O)C1CC1)CC(C)C 308462952 573919801 /nfs/dbraw/zinc/91/98/01/573919801.db2.gz GDRYUXWUZIEFPE-UHFFFAOYSA-N 1 1 197.322 2.334 10 0 AEAEMO CC[N@@H+](C)[C@@H](CN)C1(C(C)C)CCC1 686132107 573919907 /nfs/dbraw/zinc/91/99/07/573919907.db2.gz GWSMIYQHRUHXLK-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CCN(C)[C@@H](C[NH3+])C1(C(C)C)CCC1 686132107 573919911 /nfs/dbraw/zinc/91/99/11/573919911.db2.gz GWSMIYQHRUHXLK-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H]1CNC(C)(C)C[N@H+]1CC(C)C 84859593 573921951 /nfs/dbraw/zinc/92/19/51/573921951.db2.gz NTSDZKQTSZIVCP-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@]1(C)C[N@H+](C2CCCC2)CCN1 84877508 573921837 /nfs/dbraw/zinc/92/18/37/573921837.db2.gz MXCWNFVYCVMEDO-GFCCVEGCSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@]1(C)CN(C2CCCC2)CC[NH2+]1 84877508 573921843 /nfs/dbraw/zinc/92/18/43/573921843.db2.gz MXCWNFVYCVMEDO-GFCCVEGCSA-N 1 1 196.338 2.003 10 0 AEAEMO CCC1(CC)CN[C@@](C)(CC)C[N@H+]1C 84859683 573921934 /nfs/dbraw/zinc/92/19/34/573921934.db2.gz XGLJKGJNWTXLCL-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC1(CC)C[NH2+][C@@](C)(CC)CN1C 84859683 573921939 /nfs/dbraw/zinc/92/19/39/573921939.db2.gz XGLJKGJNWTXLCL-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H]1C[N@@H+](C(C)C)[C@@](C)(CC)CN1 84859621 573923001 /nfs/dbraw/zinc/92/30/01/573923001.db2.gz SRHJUDJTAZJWAE-RYUDHWBXSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H]1CN(C(C)C)[C@@](C)(CC)C[NH2+]1 84859621 573923009 /nfs/dbraw/zinc/92/30/09/573923009.db2.gz SRHJUDJTAZJWAE-RYUDHWBXSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(CC)[N@H+]1CCC[C@@H](CO)CC1 393495980 573923072 /nfs/dbraw/zinc/92/30/72/573923072.db2.gz RTXJFTLDFFWHPS-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC(C)(C)[N@H+]1CCN[C@@H](C(C)C)C1 84877529 573923162 /nfs/dbraw/zinc/92/31/62/573923162.db2.gz DEORVXWWRNQLDI-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(C)(C)N1CC[NH2+][C@@H](C(C)C)C1 84877529 573923168 /nfs/dbraw/zinc/92/31/68/573923168.db2.gz DEORVXWWRNQLDI-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@H]([NH2+]C1C2(CC2)C12CC2)C(F)F 715373438 573923211 /nfs/dbraw/zinc/92/32/11/573923211.db2.gz YFFUPTQNYRPONA-LURJTMIESA-N 1 1 187.233 2.172 10 0 AEAEMO CCC(C)(C)[N@H+]1CCN[C@H](C(C)C)C1 84877527 573924341 /nfs/dbraw/zinc/92/43/41/573924341.db2.gz DEORVXWWRNQLDI-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(C)(C)N1CC[NH2+][C@H](C(C)C)C1 84877527 573924346 /nfs/dbraw/zinc/92/43/46/573924346.db2.gz DEORVXWWRNQLDI-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[N@H+]1CC(C)(C)NC[C@H]1CC 84882334 573925122 /nfs/dbraw/zinc/92/51/22/573925122.db2.gz KOFAPOVJXFIRLI-WDEREUQCSA-N 1 1 198.354 2.247 10 0 AEAEMO C[C@@H](CO)[N@@H+](C)[C@H]1C=CCCCCC1 308463559 573924760 /nfs/dbraw/zinc/92/47/60/573924760.db2.gz UTTNNHNPMWJNSM-RYUDHWBXSA-N 1 1 197.322 2.188 10 0 AEAEMO C[C@H](CO)[N@@H+](C)[C@@H]1C=CCCCCC1 308463562 573924860 /nfs/dbraw/zinc/92/48/60/573924860.db2.gz UTTNNHNPMWJNSM-VXGBXAGGSA-N 1 1 197.322 2.188 10 0 AEAEMO CCCC[N@H+]1[C@H](C)CCC[C@@H]1CO 308464213 573925247 /nfs/dbraw/zinc/92/52/47/573925247.db2.gz IMIAGQKOFLHDAU-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@@]1(C)C[N@H+](C2CCCC2)CCN1 84877510 573925253 /nfs/dbraw/zinc/92/52/53/573925253.db2.gz MXCWNFVYCVMEDO-LBPRGKRZSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@@]1(C)CN(C2CCCC2)CC[NH2+]1 84877510 573925260 /nfs/dbraw/zinc/92/52/60/573925260.db2.gz MXCWNFVYCVMEDO-LBPRGKRZSA-N 1 1 196.338 2.003 10 0 AEAEMO CCCC[N@@H+](C)C[C@@H]([NH3+])[C@H](C)CC 39794744 573925357 /nfs/dbraw/zinc/92/53/57/573925357.db2.gz WYKHQXPKPNFSML-GHMZBOCLSA-N 1 1 186.343 2.092 10 0 AEAEMO CCCCN(C)C[C@@H]([NH3+])[C@H](C)CC 39794744 573925361 /nfs/dbraw/zinc/92/53/61/573925361.db2.gz WYKHQXPKPNFSML-GHMZBOCLSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[N@@H+](CCC(C)=O)CC1CC1 42207004 573925520 /nfs/dbraw/zinc/92/55/20/573925520.db2.gz XMXDWIQWVAFENB-UHFFFAOYSA-N 1 1 183.295 2.088 10 0 AEAEMO CC(C)[C@@H](C)CNc1ccc(N)[nH+]c1 81040588 573926265 /nfs/dbraw/zinc/92/62/65/573926265.db2.gz DUUPJEZPSGIUKI-VIFPVBQESA-N 1 1 193.294 2.368 10 0 AEAEMO CC(C)[C@H](C)C[N@H+]1CCC(=O)[C@@H](C)C1 81089022 573927696 /nfs/dbraw/zinc/92/76/96/573927696.db2.gz XWXJWXXJRWUZBW-MNOVXSKESA-N 1 1 197.322 2.189 10 0 AEAEMO CCC[NH2+]C[C@@](C)(CC)N1CCCC1 308464736 573929075 /nfs/dbraw/zinc/92/90/75/573929075.db2.gz FUVWHMJAKGEOJT-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CC(C)[C@H](C)CNc1ccc(N)[nH+]c1 81040590 573929250 /nfs/dbraw/zinc/92/92/50/573929250.db2.gz DUUPJEZPSGIUKI-SECBINFHSA-N 1 1 193.294 2.368 10 0 AEAEMO CC(C)[C@H](C)CNc1ccc(N)c[nH+]1 81040704 573929397 /nfs/dbraw/zinc/92/93/97/573929397.db2.gz FNYPKDHWKHLQIB-SECBINFHSA-N 1 1 193.294 2.368 10 0 AEAEMO CCC[N@@H+](CC1CC1)[C@](C)(CC)CN 42229259 573929781 /nfs/dbraw/zinc/92/97/81/573929781.db2.gz AIGFSDYBOOHNTG-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)[C@@H](C)CNc1[nH+]cccc1N 81040546 573929823 /nfs/dbraw/zinc/92/98/23/573929823.db2.gz LSINBUZEMOVDQZ-VIFPVBQESA-N 1 1 193.294 2.368 10 0 AEAEMO CCC[N@@H+](CC1CC1)[C@H](CN)C(C)C 42229289 573929851 /nfs/dbraw/zinc/92/98/51/573929851.db2.gz ASVLCVZRIRMUOW-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC1(C)C[N@@H+](C(C)(C)C)CC[C@H]1CO 259243685 573930735 /nfs/dbraw/zinc/93/07/35/573930735.db2.gz LWIZRSHNXIREOT-JTQLQIEISA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)[C@@H](C)CNc1ccc(N)c[nH+]1 81040703 573930801 /nfs/dbraw/zinc/93/08/01/573930801.db2.gz FNYPKDHWKHLQIB-VIFPVBQESA-N 1 1 193.294 2.368 10 0 AEAEMO CC(C)[C@H](C)C[N@H+]1CCC(=O)[C@H](C)C1 81089013 573930852 /nfs/dbraw/zinc/93/08/52/573930852.db2.gz XWXJWXXJRWUZBW-GHMZBOCLSA-N 1 1 197.322 2.189 10 0 AEAEMO C[N@@H+](CC[C@H]1CCCC1=O)C1CCC1 127632364 573930862 /nfs/dbraw/zinc/93/08/62/573930862.db2.gz KWUCLWVJZOXGQJ-SNVBAGLBSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)[C@H](C)C[N@H+]1CCC(=O)C[C@@H]1C 81065302 573930940 /nfs/dbraw/zinc/93/09/40/573930940.db2.gz QFIVJIIUVXNJFN-MNOVXSKESA-N 1 1 197.322 2.332 10 0 AEAEMO C[N@@H+](CC[C@H]1CCC[C@@H]1O)C1CCC1 127727408 573931373 /nfs/dbraw/zinc/93/13/73/573931373.db2.gz YUMDBTJHAOVQMS-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(=O)CCCC[N@H+](C)C1CCC1 127626436 573931427 /nfs/dbraw/zinc/93/14/27/573931427.db2.gz YIRMLRIUZLAJCV-UHFFFAOYSA-N 1 1 183.295 2.230 10 0 AEAEMO CCC[C@@H](O)[C@@H](CC)[N@@H+](C)C1CCC1 127719115 573931698 /nfs/dbraw/zinc/93/16/98/573931698.db2.gz VMPHEMORANOXEJ-VXGBXAGGSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[N@@H+](CC1CC1)[C@@H](C)C(C)=O 42221323 573931660 /nfs/dbraw/zinc/93/16/60/573931660.db2.gz BCTKNLAHVOTWKA-VIFPVBQESA-N 1 1 183.295 2.086 10 0 AEAEMO CCC[N@@H+](CC1CC1)[C@@H](CN)C(C)C 42229286 573931687 /nfs/dbraw/zinc/93/16/87/573931687.db2.gz ASVLCVZRIRMUOW-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC1CN(CC[C@H](C)[NH2+]CC)C1 716421635 573931732 /nfs/dbraw/zinc/93/17/32/573931732.db2.gz ZGUDIMADFISPBT-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCC[C@]1(O)C[C@@H](C)[N@@H+](C)C1 127620948 573932780 /nfs/dbraw/zinc/93/27/80/573932780.db2.gz HVGARADZRTYZSL-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO CC(C)(C)CC[NH2+][C@@H]1CCCC[C@@H]1N 259016480 573936092 /nfs/dbraw/zinc/93/60/92/573936092.db2.gz NWXCTDOYJMXLGE-WDEREUQCSA-N 1 1 198.354 2.282 10 0 AEAEMO C[C@@H](c1cccc(N)c1)[N@@H+](C)CCF 147578990 573934930 /nfs/dbraw/zinc/93/49/30/573934930.db2.gz BBVRVPGLSNAYAO-VIFPVBQESA-N 1 1 196.269 2.231 10 0 AEAEMO C[N@@H+](CC(=O)C1CCCC1)C1CCC1 127631860 573934969 /nfs/dbraw/zinc/93/49/69/573934969.db2.gz SHADMEHFUFVMQS-UHFFFAOYSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C[C@H](C)O)C1CC1 308465659 573935081 /nfs/dbraw/zinc/93/50/81/573935081.db2.gz IYQVODBRTQPKOZ-ZJUUUORDSA-N 1 1 185.311 2.020 10 0 AEAEMO CC(C)(C)CC[NH2+][C@H]1CCCC[C@@H]1N 259016479 573935133 /nfs/dbraw/zinc/93/51/33/573935133.db2.gz NWXCTDOYJMXLGE-QWRGUYRKSA-N 1 1 198.354 2.282 10 0 AEAEMO CCC[C@H](C)[N@@H+](C[C@H](C)O)C1CC1 308465652 573935219 /nfs/dbraw/zinc/93/52/19/573935219.db2.gz IYQVODBRTQPKOZ-UWVGGRQHSA-N 1 1 185.311 2.020 10 0 AEAEMO C[N@@H+](CC(=O)C(C)(C)C)C1CCC1 127625236 573935296 /nfs/dbraw/zinc/93/52/96/573935296.db2.gz JITNWJATBQURBM-UHFFFAOYSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@H](C)C(=O)C[N@@H+](CC)CC1CC1 87536064 573935330 /nfs/dbraw/zinc/93/53/30/573935330.db2.gz FVOFJXKUKRGIRA-JTQLQIEISA-N 1 1 197.322 2.334 10 0 AEAEMO COC[N@H+](C)Cc1ccc(C)c(C)c1 259019638 573935485 /nfs/dbraw/zinc/93/54/85/573935485.db2.gz GYKJDHLFIBLWQS-UHFFFAOYSA-N 1 1 193.290 2.339 10 0 AEAEMO COC[N@@H+](C)Cc1ccc(C)c(C)c1 259019638 573935495 /nfs/dbraw/zinc/93/54/95/573935495.db2.gz GYKJDHLFIBLWQS-UHFFFAOYSA-N 1 1 193.290 2.339 10 0 AEAEMO Cc1ccc(C(F)(F)[C@H](C)[NH3+])o1 259017727 573935858 /nfs/dbraw/zinc/93/58/58/573935858.db2.gz CSFHJUSATBBXQW-LURJTMIESA-N 1 1 175.178 2.027 10 0 AEAEMO CC[C@H]([NH3+])CC[N@H+]1C[C@@H](C)C[C@@H](C)C1 127767960 573939245 /nfs/dbraw/zinc/93/92/45/573939245.db2.gz IUSQACGNDRGTGH-TUAOUCFPSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)C[NH2+]CC1(NC)CCCC1 308467710 573939605 /nfs/dbraw/zinc/93/96/05/573939605.db2.gz ACODNVQRMBTMNI-NSHDSACASA-N 1 1 198.354 2.154 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCN[C@@H](CC)C1 223589118 573942775 /nfs/dbraw/zinc/94/27/75/573942775.db2.gz VLJUDFJVYCXTSD-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)CN1CC[NH2+][C@@H](CC)C1 223589118 573942781 /nfs/dbraw/zinc/94/27/81/573942781.db2.gz VLJUDFJVYCXTSD-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@@H+](C)CC(C)(C)C 45087142 573944121 /nfs/dbraw/zinc/94/41/21/573944121.db2.gz JEVMRQLUDJXWFH-UWVGGRQHSA-N 1 1 187.327 2.124 10 0 AEAEMO CC(C)[C@H](N)C[NH2+]C1(C)CCCCC1 45047262 573944201 /nfs/dbraw/zinc/94/42/01/573944201.db2.gz HTWWSQYMOUXZCN-LLVKDONJSA-N 1 1 198.354 2.282 10 0 AEAEMO C[N@@H+](CC(C)(C)C)[C@@H]1CCC[C@@H]1C[NH3+] 45068280 573944253 /nfs/dbraw/zinc/94/42/53/573944253.db2.gz QNZYYVIRHRLLFG-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](CC(N)=[NH2+])[N@@H+](C)CC(C)(C)C 45074247 573944343 /nfs/dbraw/zinc/94/43/43/573944343.db2.gz ZCFWFNQWCPHBFG-VIFPVBQESA-N 1 1 199.342 2.069 10 0 AEAEMO Cc1cc(C)c(C2(F)C[NH2+]C2)c(F)c1 235828619 573944363 /nfs/dbraw/zinc/94/43/63/573944363.db2.gz IGQMWTDTSBMKHQ-UHFFFAOYSA-N 1 1 197.228 2.211 10 0 AEAEMO CCCNCC[NH2+]C1(C)CCCCC1 45047253 573945255 /nfs/dbraw/zinc/94/52/55/573945255.db2.gz VVDJNOLFHQQHBT-UHFFFAOYSA-N 1 1 198.354 2.298 10 0 AEAEMO C[N@H+](CC(C)(C)C)CC1(N)CCCC1 45089634 573950498 /nfs/dbraw/zinc/95/04/98/573950498.db2.gz NYIPCXYNSUCWKY-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO C[N@@H+](CC(C)(C)C)CC1(N)CCCC1 45089634 573950502 /nfs/dbraw/zinc/95/05/02/573950502.db2.gz NYIPCXYNSUCWKY-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@@H]([NH3+])C[C@@H](c1ccccc1)N(C)C 259249326 573950239 /nfs/dbraw/zinc/95/02/39/573950239.db2.gz BJWADCZQARSKBM-PWSUYJOCSA-N 1 1 192.306 2.027 10 0 AEAEMO C1C[C@H]2[C@H](C1)C[C@H]1CCC[N@@H+]21 257053064 573950553 /nfs/dbraw/zinc/95/05/53/573950553.db2.gz KHNKBRWCAAUREQ-BBBLOLIVSA-N 1 1 151.253 2.023 10 0 AEAEMO C[N@H+](CC(C)(C)C)C[C@@](C)(N)C1CC1 45089633 573953151 /nfs/dbraw/zinc/95/31/51/573953151.db2.gz IEOBOJYCHSKFAY-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO C[N@@H+](CC(C)(C)C)C[C@@](C)(N)C1CC1 45089633 573953155 /nfs/dbraw/zinc/95/31/55/573953155.db2.gz IEOBOJYCHSKFAY-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC1CCN([C@](C)(CC)C[NH3+])CC1 42446388 573952627 /nfs/dbraw/zinc/95/26/27/573952627.db2.gz GYNAOYVFQJQCCU-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO COC[N@@H+](C)CCC1CCCCC1 259027093 573954207 /nfs/dbraw/zinc/95/42/07/573954207.db2.gz HRKZYZGCPWMTBX-UHFFFAOYSA-N 1 1 185.311 2.493 10 0 AEAEMO CC[C@H]([NH3+])CC[N@H+]1CCC[C@H](C)[C@@H]1C 127872360 573956192 /nfs/dbraw/zinc/95/61/92/573956192.db2.gz JETLBIHBVQESBX-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[NH2+]CC[C@@H](C)[N@@H+](C)C1CCC1 127885418 573956253 /nfs/dbraw/zinc/95/62/53/573956253.db2.gz YCORCRKSCZHPDU-LLVKDONJSA-N 1 1 198.354 2.247 10 0 AEAEMO C[N@H+]1CCC[C@@H](CC2(O)CCCC2)C1 258189822 573956318 /nfs/dbraw/zinc/95/63/18/573956318.db2.gz YOFZSCYGNRUECB-NSHDSACASA-N 1 1 197.322 2.023 10 0 AEAEMO CCCC[C@H](N)C[NH2+][C@H]1CCC1(C)C 308471744 573957135 /nfs/dbraw/zinc/95/71/35/573957135.db2.gz BXDYXQCVVAAVMH-QWRGUYRKSA-N 1 1 198.354 2.282 10 0 AEAEMO CC(C)[NH2+]CC[C@H](C)[N@@H+](C)C1CCC1 127885634 573958031 /nfs/dbraw/zinc/95/80/31/573958031.db2.gz YCORCRKSCZHPDU-NSHDSACASA-N 1 1 198.354 2.247 10 0 AEAEMO C[N@@H+](CC[C@@H](O)C(C)(C)C)C1CCC1 127859139 573958407 /nfs/dbraw/zinc/95/84/07/573958407.db2.gz QSGXYURCNIYVCG-LLVKDONJSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[N@@H+](CC1CC1)[C@H]1CCCC1=O 42490757 573960617 /nfs/dbraw/zinc/96/06/17/573960617.db2.gz OVTLHKPMQPADAF-NSHDSACASA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@@H](CC[NH2+]C1CC1)[N@@H+](C)C1CCC1 127877290 573959678 /nfs/dbraw/zinc/95/96/78/573959678.db2.gz LIHWTMOVVUKOJL-JTQLQIEISA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H]([NH3+])CC[N@H+]1CC[C@H](C)C[C@@H]1C 127874805 573959729 /nfs/dbraw/zinc/95/97/29/573959729.db2.gz LQSZYLAPEYVGPI-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](CN)[N@@H+](C)CC1CCCCC1 42492150 573962093 /nfs/dbraw/zinc/96/20/93/573962093.db2.gz RQCBVKAWKGGFRJ-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[N@@H+](CCC(C)=O)C1CC1 42490822 573959996 /nfs/dbraw/zinc/95/99/96/573959996.db2.gz QYFKZFBNUZWKLV-UHFFFAOYSA-N 1 1 183.295 2.230 10 0 AEAEMO CCC[N@@H+](CCCC(C)=O)CC1CC1 42490766 573960128 /nfs/dbraw/zinc/96/01/28/573960128.db2.gz IGARUEBRBRFLSS-UHFFFAOYSA-N 1 1 197.322 2.478 10 0 AEAEMO CC[C@H]([NH3+])CN(C)CC1CCCCC1 42495655 573960326 /nfs/dbraw/zinc/96/03/26/573960326.db2.gz RWDURCHTBZOKNL-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[N@@H+](C1CC1)[C@H]1CCCC1=O 42490812 573960233 /nfs/dbraw/zinc/96/02/33/573960233.db2.gz NRNRWAITQBVIGZ-NSHDSACASA-N 1 1 195.306 2.373 10 0 AEAEMO CC[C@H](N)C[N@@H+](C)CC1CCCCC1 42495655 573960323 /nfs/dbraw/zinc/96/03/23/573960323.db2.gz RWDURCHTBZOKNL-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[N@@H+](C1CC1)[C@@H]1CCCC1=O 42490811 573960361 /nfs/dbraw/zinc/96/03/61/573960361.db2.gz NRNRWAITQBVIGZ-LLVKDONJSA-N 1 1 195.306 2.373 10 0 AEAEMO C[C@@H]([C@@H](C)N)[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 42492832 573960421 /nfs/dbraw/zinc/96/04/21/573960421.db2.gz ZIGVLJJOSVMFNR-WISYIIOYSA-N 1 1 198.354 2.233 10 0 AEAEMO C[C@H](CC[NH2+]C1CC1)[N@@H+](C)C1CCC1 127877519 573960436 /nfs/dbraw/zinc/96/04/36/573960436.db2.gz LIHWTMOVVUKOJL-SNVBAGLBSA-N 1 1 196.338 2.001 10 0 AEAEMO CCC[N@H+](CC1CC1)C[C@@H](N)C(C)C 42491175 573960748 /nfs/dbraw/zinc/96/07/48/573960748.db2.gz RBNRNPFRVZHJNI-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCN(CC1CC1)C[C@@H]([NH3+])C(C)C 42491175 573960752 /nfs/dbraw/zinc/96/07/52/573960752.db2.gz RBNRNPFRVZHJNI-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(=O)CC[N@H+](C)[C@H]1CCC[C@@H](C)C1 42493820 573960823 /nfs/dbraw/zinc/96/08/23/573960823.db2.gz DYLHGWARCQIZQO-PWSUYJOCSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(=O)[C@@H](C)[N@@H+](C)CC1CCCCC1 42493778 573961110 /nfs/dbraw/zinc/96/11/10/573961110.db2.gz VHKHBJAIOJLCRZ-SNVBAGLBSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(=O)[C@H](C)[N@@H+](C)CC1CCCCC1 42493777 573961238 /nfs/dbraw/zinc/96/12/38/573961238.db2.gz VHKHBJAIOJLCRZ-JTQLQIEISA-N 1 1 197.322 2.476 10 0 AEAEMO CCCCN(C[C@@H]([NH3+])CCC)C1CC1 42491336 573961334 /nfs/dbraw/zinc/96/13/34/573961334.db2.gz FKGOKLUQWSAIED-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[N@H+](C[C@@H](N)CCC)C1CC1 42491336 573961339 /nfs/dbraw/zinc/96/13/39/573961339.db2.gz FKGOKLUQWSAIED-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[N@@H+](C[C@@H](N)CCC)C1CC1 42491336 573961342 /nfs/dbraw/zinc/96/13/42/573961342.db2.gz FKGOKLUQWSAIED-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@@H](N)C[N@@H+](C)CC1CCCCC1 42495657 573961366 /nfs/dbraw/zinc/96/13/66/573961366.db2.gz RWDURCHTBZOKNL-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H]([NH3+])CN(C)CC1CCCCC1 42495657 573961372 /nfs/dbraw/zinc/96/13/72/573961372.db2.gz RWDURCHTBZOKNL-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCN(C[C@@H]([NH3+])C(C)C)C1CC1 42491315 573961552 /nfs/dbraw/zinc/96/15/52/573961552.db2.gz OZURPIBUOGFUIO-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[N@H+](C[C@@H](N)C(C)C)C1CC1 42491315 573961555 /nfs/dbraw/zinc/96/15/55/573961555.db2.gz OZURPIBUOGFUIO-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[N@@H+](C[C@@H](N)C(C)C)C1CC1 42491315 573961557 /nfs/dbraw/zinc/96/15/57/573961557.db2.gz OZURPIBUOGFUIO-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCN(C[C@H]([NH3+])CCC)C1CC1 42491335 573961729 /nfs/dbraw/zinc/96/17/29/573961729.db2.gz FKGOKLUQWSAIED-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[N@H+](C[C@H](N)CCC)C1CC1 42491335 573961730 /nfs/dbraw/zinc/96/17/30/573961730.db2.gz FKGOKLUQWSAIED-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[N@@H+](C[C@H](N)CCC)C1CC1 42491335 573961734 /nfs/dbraw/zinc/96/17/34/573961734.db2.gz FKGOKLUQWSAIED-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@H]([NH3+])CN(C)[C@@H]1CCC[C@H](C)C1 42495820 573961795 /nfs/dbraw/zinc/96/17/95/573961795.db2.gz GKGXSYSHCZHGPN-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](N)C[N@@H+](C)[C@@H]1CCC[C@H](C)C1 42495820 573961790 /nfs/dbraw/zinc/96/17/90/573961790.db2.gz GKGXSYSHCZHGPN-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO c1c[nH]c(-c2[nH+]cc3ccccn23)c1 259028584 573962032 /nfs/dbraw/zinc/96/20/32/573962032.db2.gz DNYSRTIATHRGFA-UHFFFAOYSA-N 1 1 183.214 2.329 10 0 AEAEMO CCC1CCC([N@@H+](C)[C@H](C)CN)CC1 42515570 573964536 /nfs/dbraw/zinc/96/45/36/573964536.db2.gz ANSXHHHLDOQTMV-VOMCLLRMSA-N 1 1 198.354 2.234 10 0 AEAEMO C[NH2+][C@@H](C=C(C)C)c1cscn1 87594599 573964968 /nfs/dbraw/zinc/96/49/68/573964968.db2.gz IANDYBASEIFORV-QMMMGPOBSA-N 1 1 182.292 2.370 10 0 AEAEMO C[NH2+][C@H](C=C(C)C)c1cscn1 87594601 573965048 /nfs/dbraw/zinc/96/50/48/573965048.db2.gz IANDYBASEIFORV-MRVPVSSYSA-N 1 1 182.292 2.370 10 0 AEAEMO CCC(CC)C[N@@H+](CC)[C@H](C)CN 42487573 573966674 /nfs/dbraw/zinc/96/66/74/573966674.db2.gz YFJCLWTZUXMTQQ-SNVBAGLBSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC1CCC([N@@H+](C)[C@@H](C)CN)CC1 42515569 573966794 /nfs/dbraw/zinc/96/67/94/573966794.db2.gz ANSXHHHLDOQTMV-UNXYVOJBSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H]1CCN([C@@H](CC)C[NH2+]C)C1 127790921 573966862 /nfs/dbraw/zinc/96/68/62/573966862.db2.gz SPKQMGQLYZNXCX-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H]([NH3+])[C@H](C)N(CC(C)C)C1CC1 42556499 573969145 /nfs/dbraw/zinc/96/91/45/573969145.db2.gz IDDLKTIVUOHHKI-JQWIXIFHSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(=O)[C@H](C)[N@H+](CC(C)C)C1CC1 42558449 573968909 /nfs/dbraw/zinc/96/89/09/573968909.db2.gz MUGDKQVPACVYNJ-VIFPVBQESA-N 1 1 183.295 2.084 10 0 AEAEMO CC(=O)CCC[N@H+](CC(C)C)C1CC1 42558575 573969127 /nfs/dbraw/zinc/96/91/27/573969127.db2.gz FIWSKQIEVDHSAV-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO [NH3+][C@H](c1ccsc1)c1cscn1 87594370 573969131 /nfs/dbraw/zinc/96/91/31/573969131.db2.gz LKZAKLVBWSMHNL-MRVPVSSYSA-N 1 1 196.300 2.253 10 0 AEAEMO CC[C@H](N)[C@H](C)[N@@H+](CC(C)C)C1CC1 42556499 573969143 /nfs/dbraw/zinc/96/91/43/573969143.db2.gz IDDLKTIVUOHHKI-JQWIXIFHSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@@H](N)[C@H](C)[N@@H+](CC(C)C)C1CC1 42556502 573970186 /nfs/dbraw/zinc/97/01/86/573970186.db2.gz IDDLKTIVUOHHKI-CMPLNLGQSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@@H]([NH3+])[C@H](C)N(CC(C)C)C1CC1 42556502 573970191 /nfs/dbraw/zinc/97/01/91/573970191.db2.gz IDDLKTIVUOHHKI-CMPLNLGQSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[N@H+](C1CC1)[C@H](CN)C(C)C 42555236 573970213 /nfs/dbraw/zinc/97/02/13/573970213.db2.gz MRZISCONFDUGDW-GFCCVEGCSA-N 1 1 198.354 2.090 10 0 AEAEMO CC1(C)[C@H]2c3[nH+]c(N)ccc3CC[C@H]21 238227353 573970238 /nfs/dbraw/zinc/97/02/38/573970238.db2.gz PCQCQMCKHZVRAL-PSASIEDQSA-N 1 1 188.274 2.350 10 0 AEAEMO CC[C@@](C)(CN)[N@@H+](CC(C)C)C1CC1 42555571 573970373 /nfs/dbraw/zinc/97/03/73/573970373.db2.gz BGRVBLRBJUGSNU-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(=O)[C@@H](C)[N@H+](CC(C)C)C1CC1 42558452 573970581 /nfs/dbraw/zinc/97/05/81/573970581.db2.gz MUGDKQVPACVYNJ-SECBINFHSA-N 1 1 183.295 2.084 10 0 AEAEMO CC[N@H+]1CC[C@@H](C2(O)CCCCC2)C1 258192437 573970673 /nfs/dbraw/zinc/97/06/73/573970673.db2.gz YTLUHMUUBUMJIB-LLVKDONJSA-N 1 1 197.322 2.023 10 0 AEAEMO CC[C@](C)(CN)[N@@H+](CC(C)C)C1CC1 42555574 573970713 /nfs/dbraw/zinc/97/07/13/573970713.db2.gz BGRVBLRBJUGSNU-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@H+]1CC[C@H](C2(O)CCCCC2)C1 258192439 573971009 /nfs/dbraw/zinc/97/10/09/573971009.db2.gz YTLUHMUUBUMJIB-NSHDSACASA-N 1 1 197.322 2.023 10 0 AEAEMO CCCc1[nH+]c(N)c(N)c(C)c1Cl 238228153 573971014 /nfs/dbraw/zinc/97/10/14/573971014.db2.gz WVSIUWVHCHMLEF-UHFFFAOYSA-N 1 1 199.685 2.160 10 0 AEAEMO C/C=C\C[N@H+]1CCCC[C@@H]1C 223739525 573973030 /nfs/dbraw/zinc/97/30/30/573973030.db2.gz ZNAQPCPYFRGILI-XOULXFPDSA-N 1 1 153.269 2.437 10 0 AEAEMO CC1(C)[C@H]2CCc3ccc(N)[nH+]c3[C@H]21 238229673 573973480 /nfs/dbraw/zinc/97/34/80/573973480.db2.gz PCQCQMCKHZVRAL-WPRPVWTQSA-N 1 1 188.274 2.350 10 0 AEAEMO C[N@@H+](CCC(=O)C(C)(C)C)C1CCC1 127818177 573974599 /nfs/dbraw/zinc/97/45/99/573974599.db2.gz AZLLGFMTKWUVLR-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(C)CN(C(C)C)[C@H]1CCC[NH2+]C1 42584385 573977433 /nfs/dbraw/zinc/97/74/33/573977433.db2.gz OCOPDFFSBQBNHL-LBPRGKRZSA-N 1 1 198.354 2.105 10 0 AEAEMO Cc1cn(Cc2ccc(C)o2)c(C)[nH+]1 715097014 573977653 /nfs/dbraw/zinc/97/76/53/573977653.db2.gz JOTWEMURHKGGOC-UHFFFAOYSA-N 1 1 190.246 2.450 10 0 AEAEMO CC(C)C[C@H](C)[N@H+](C)[C@@H]1CCCNC1 42584346 573978899 /nfs/dbraw/zinc/97/88/99/573978899.db2.gz CIQCKNPJVCMSBG-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)[C@@H]1CCCNC1 42584346 573978903 /nfs/dbraw/zinc/97/89/03/573978903.db2.gz CIQCKNPJVCMSBG-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[C@@H](C)[N@H+](C)[C@@H]1CCCNC1 42584343 573979062 /nfs/dbraw/zinc/97/90/62/573979062.db2.gz CIQCKNPJVCMSBG-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[C@@H](C)[N@@H+](C)[C@@H]1CCCNC1 42584343 573979066 /nfs/dbraw/zinc/97/90/66/573979066.db2.gz CIQCKNPJVCMSBG-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@](C)(CN)C[N@H+](C)C1CCC1 127829827 573980468 /nfs/dbraw/zinc/98/04/68/573980468.db2.gz ZZJKEFZCIGVRKW-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@](C)(CN)C[N@@H+](C)C1CCC1 127829827 573980473 /nfs/dbraw/zinc/98/04/73/573980473.db2.gz ZZJKEFZCIGVRKW-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)C[C@@H](C)[N@H+](C)C1CCNCC1 42584337 573980591 /nfs/dbraw/zinc/98/05/91/573980591.db2.gz XEVJNDZSNWVBBS-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[C@@H](C)[N@@H+](C)C1CCNCC1 42584337 573980595 /nfs/dbraw/zinc/98/05/95/573980595.db2.gz XEVJNDZSNWVBBS-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC1(C)C[C@@H](O)CC[N@H+]1C1CCCC1 259255386 573980999 /nfs/dbraw/zinc/98/09/99/573980999.db2.gz FJYUNACLIIVFSN-NSHDSACASA-N 1 1 197.322 2.164 10 0 AEAEMO CC1(C)C[C@H](O)CC[N@H+]1C1CCCC1 259255380 573980963 /nfs/dbraw/zinc/98/09/63/573980963.db2.gz FJYUNACLIIVFSN-LLVKDONJSA-N 1 1 197.322 2.164 10 0 AEAEMO CC(C)[C@@H](CN)[N@@H+](CC1CC1)C(C)C 42580437 573981429 /nfs/dbraw/zinc/98/14/29/573981429.db2.gz FCRAXTILZSHJBP-GFCCVEGCSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[N@@H+](C(C)C)[C@@H]1CCC[C@@H]1N 42581672 573981576 /nfs/dbraw/zinc/98/15/76/573981576.db2.gz AMUYSUJROPFIDH-NWDGAFQWSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[N@@H+](C(C)C)[C@@H](CN)C1CC1 42579377 573981674 /nfs/dbraw/zinc/98/16/74/573981674.db2.gz CKGZQUWZIIAFPX-LBPRGKRZSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@H](CN)[N@@H+](CC1CC1)C(C)C 42580441 573981915 /nfs/dbraw/zinc/98/19/15/573981915.db2.gz FCRAXTILZSHJBP-LBPRGKRZSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@@H](N)[C@@H](C)[N@@H+](CC1CC1)C(C)C 42581911 573982177 /nfs/dbraw/zinc/98/21/77/573982177.db2.gz XWXBHFFOMATGCG-ZYHUDNBSSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@H](N)[C@@H](C)[N@@H+](CC1CC1)C(C)C 42581908 573982264 /nfs/dbraw/zinc/98/22/64/573982264.db2.gz XWXBHFFOMATGCG-PWSUYJOCSA-N 1 1 198.354 2.233 10 0 AEAEMO C[N@@H+]1CC[C@]2(C)c3ccccc3N[C@@H]12 82076531 573982444 /nfs/dbraw/zinc/98/24/44/573982444.db2.gz ZMRXCEQBVUQGLX-NWDGAFQWSA-N 1 1 188.274 2.031 10 0 AEAEMO C[N@H+]1CC[C@]2(C)c3ccccc3N[C@@H]12 82076531 573982450 /nfs/dbraw/zinc/98/24/50/573982450.db2.gz ZMRXCEQBVUQGLX-NWDGAFQWSA-N 1 1 188.274 2.031 10 0 AEAEMO CC(C)C[N@@H+](C(C)C)C(C)(C)CN 42578970 573982593 /nfs/dbraw/zinc/98/25/93/573982593.db2.gz VQMKLJWCHRITHV-UHFFFAOYSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[C@](C)(C[NH3+])C[N@@H+](C)C1CCC1 127830023 573982649 /nfs/dbraw/zinc/98/26/49/573982649.db2.gz ZZJKEFZCIGVRKW-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@](C)(CN)C[N@H+](C)C1CCC1 127830023 573982651 /nfs/dbraw/zinc/98/26/51/573982651.db2.gz ZZJKEFZCIGVRKW-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@](C)(CN)C[N@@H+](C)C1CCC1 127830023 573982655 /nfs/dbraw/zinc/98/26/55/573982655.db2.gz ZZJKEFZCIGVRKW-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)C[C@@H](C)[N@@H+](C)C(C)(C)CN 42563349 573982664 /nfs/dbraw/zinc/98/26/64/573982664.db2.gz OTERPRXSPSAVME-SNVBAGLBSA-N 1 1 186.343 2.090 10 0 AEAEMO CSC(=[NH2+])c1ccc2[nH]cnc2c1 259259939 573989886 /nfs/dbraw/zinc/98/98/86/573989886.db2.gz QJRVRRKULYPHIX-UHFFFAOYSA-N 1 1 191.259 2.251 10 0 AEAEMO C[C@H]1CCCC[N@@H+]1CCCC[C@@H](C)O 45619022 573991885 /nfs/dbraw/zinc/99/18/85/573991885.db2.gz SMHKNXNRWARPFB-NWDGAFQWSA-N 1 1 199.338 2.412 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1CCCC[C@@H](C)O 45618885 573991997 /nfs/dbraw/zinc/99/19/97/573991997.db2.gz PKDFAKGZGMIUFU-VXGBXAGGSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC(CC)[N@@H+](C)CCC[C@@H](C)O 45619788 573992076 /nfs/dbraw/zinc/99/20/76/573992076.db2.gz CJHOLSHRHXVFKB-SNVBAGLBSA-N 1 1 187.327 2.268 10 0 AEAEMO CCC(CC)[N@@H+](C)CCC[C@H](C)O 45619791 573992098 /nfs/dbraw/zinc/99/20/98/573992098.db2.gz CJHOLSHRHXVFKB-JTQLQIEISA-N 1 1 187.327 2.268 10 0 AEAEMO CC[C@H]([NH3+])CC[N@H+]1CCC[C@@H]1C(C)C 127919077 573994065 /nfs/dbraw/zinc/99/40/65/573994065.db2.gz WCBSTRHWBHNOCJ-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@H]1C1(N)CCC1 258197172 573994353 /nfs/dbraw/zinc/99/43/53/573994353.db2.gz YZMGMPBMTKXJBF-NSHDSACASA-N 1 1 196.338 2.131 10 0 AEAEMO CC(C)N1CCCC[C@H]1C1([NH3+])CCC1 258197172 573994357 /nfs/dbraw/zinc/99/43/57/573994357.db2.gz YZMGMPBMTKXJBF-NSHDSACASA-N 1 1 196.338 2.131 10 0 AEAEMO CCC(CC)[C@]1(O)CC[N@H+]2CCC[C@@H]21 123338007 573995988 /nfs/dbraw/zinc/99/59/88/573995988.db2.gz VDZBLDWMMYXZJO-VXGBXAGGSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[NH2+]CC[C@H](C)[N@@H+](C)C1CCC1 127921354 573996580 /nfs/dbraw/zinc/99/65/80/573996580.db2.gz XGOMRRMHEMKFAQ-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[NH2+]CC[C@@H](C)[N@@H+](C)C1CCC1 127921140 573996713 /nfs/dbraw/zinc/99/67/13/573996713.db2.gz XGOMRRMHEMKFAQ-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCC(C)(C)C[NH+]1CCNCC1 259263069 573996821 /nfs/dbraw/zinc/99/68/21/573996821.db2.gz IPQYXDRAEJJTLU-UHFFFAOYSA-N 1 1 198.354 2.108 10 0 AEAEMO CCC(CC)[C@@]1(O)CC[N@H+]2CCC[C@@H]21 123338180 573997062 /nfs/dbraw/zinc/99/70/62/573997062.db2.gz VDZBLDWMMYXZJO-NEPJUHHUSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)C[C@@H](C)[N@@H+](C)CC(C)(C)N 42592994 573998386 /nfs/dbraw/zinc/99/83/86/573998386.db2.gz DBVDGQGGHFSTPW-SNVBAGLBSA-N 1 1 186.343 2.090 10 0 AEAEMO CC(C)C[C@@H](C)N(C)CC(C)(C)[NH3+] 42592994 573998390 /nfs/dbraw/zinc/99/83/90/573998390.db2.gz DBVDGQGGHFSTPW-SNVBAGLBSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@H](N)C[N@@H+](C)[C@@H](C)CC(C)C 42593076 573999086 /nfs/dbraw/zinc/99/90/86/573999086.db2.gz OUZYPDNWJGJYCZ-WDEREUQCSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@H]([NH3+])CN(C)[C@@H](C)CC(C)C 42593076 573999091 /nfs/dbraw/zinc/99/90/91/573999091.db2.gz OUZYPDNWJGJYCZ-WDEREUQCSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](N)C[N@@H+](C)[C@@H](C)CC(C)C 42593073 573999109 /nfs/dbraw/zinc/99/91/09/573999109.db2.gz OUZYPDNWJGJYCZ-QWRGUYRKSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H]([NH3+])CN(C)[C@@H](C)CC(C)C 42593073 573999113 /nfs/dbraw/zinc/99/91/13/573999113.db2.gz OUZYPDNWJGJYCZ-QWRGUYRKSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[N@@H+](C)[C@@H](C)c1ccc(N)c(F)c1 238239042 574001888 /nfs/dbraw/zinc/00/18/88/574001888.db2.gz UIOAGIDKXPHXOB-QMMMGPOBSA-N 1 1 196.269 2.421 10 0 AEAEMO CC[N@@H+](C1CCCCC1)C1CC(N)C1 87653148 574002368 /nfs/dbraw/zinc/00/23/68/574002368.db2.gz PMGYQCXBWJXXCZ-UHFFFAOYSA-N 1 1 196.338 2.131 10 0 AEAEMO CC(C)CCC[C@@H]1CCC[N@H+]1CCN 82291912 574002137 /nfs/dbraw/zinc/00/21/37/574002137.db2.gz ZDJPCXOZTJDBKU-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)CCC[C@@H]1CCCN1CC[NH3+] 82291912 574002148 /nfs/dbraw/zinc/00/21/48/574002148.db2.gz ZDJPCXOZTJDBKU-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)CCC[C@H]1CCC[N@H+]1CCN 82291913 574003074 /nfs/dbraw/zinc/00/30/74/574003074.db2.gz ZDJPCXOZTJDBKU-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)CCC[C@H]1CCCN1CC[NH3+] 82291913 574003084 /nfs/dbraw/zinc/00/30/84/574003084.db2.gz ZDJPCXOZTJDBKU-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(=O)[C@@H]([NH3+])c1cccc(C(F)F)c1 104489114 574006682 /nfs/dbraw/zinc/00/66/82/574006682.db2.gz CVGAKDCJMUNFNU-SECBINFHSA-N 1 1 199.200 2.213 10 0 AEAEMO C=Cc1cc[nH+]c(NCC)c1 209775647 574006015 /nfs/dbraw/zinc/00/60/15/574006015.db2.gz CPWGYXIVEWHXLU-UHFFFAOYSA-N 1 1 148.209 2.156 10 0 AEAEMO COC1C[C@@H]2CC[C@H](C1)[N@H+]2C(C)C 585379523 574006252 /nfs/dbraw/zinc/00/62/52/574006252.db2.gz LGWFQAWAIUFMAC-ZACCUICWSA-N 1 1 183.295 2.037 10 0 AEAEMO Cc1cc([C@H]([NH3+])C(F)F)ccc1F 87687475 574010626 /nfs/dbraw/zinc/01/06/26/574010626.db2.gz VGLGPXAAGINYHC-QMMMGPOBSA-N 1 1 189.180 2.399 10 0 AEAEMO [NH3+][C@]1(C(F)F)CCc2ccccc21 87688135 574013582 /nfs/dbraw/zinc/01/35/82/574013582.db2.gz JNRCTLWAOJALAK-SNVBAGLBSA-N 1 1 183.201 2.052 10 0 AEAEMO [NH3+][C@@]1(C(F)F)CCc2ccccc21 87688136 574013915 /nfs/dbraw/zinc/01/39/15/574013915.db2.gz JNRCTLWAOJALAK-JTQLQIEISA-N 1 1 183.201 2.052 10 0 AEAEMO CC(C)[N@@H+](CC1CC1)[C@H]1CCCC1=O 42588069 574014140 /nfs/dbraw/zinc/01/41/40/574014140.db2.gz PBPJHUQFEAPZQL-NSHDSACASA-N 1 1 195.306 2.228 10 0 AEAEMO Cc1cc(F)ccc1[C@@H]([NH3+])C(F)F 87688271 574015918 /nfs/dbraw/zinc/01/59/18/574015918.db2.gz ITEOMQUEKQIBFG-MRVPVSSYSA-N 1 1 189.180 2.399 10 0 AEAEMO C[C@@]([NH3+])(c1cccc(F)c1)C(F)F 87687986 574015194 /nfs/dbraw/zinc/01/51/94/574015194.db2.gz VHMRFLDUSNNCMP-SECBINFHSA-N 1 1 189.180 2.265 10 0 AEAEMO C[C@]([NH3+])(c1ccc(F)cc1)C(F)F 87688186 574015420 /nfs/dbraw/zinc/01/54/20/574015420.db2.gz VNAKSZYKLGJBHN-VIFPVBQESA-N 1 1 189.180 2.265 10 0 AEAEMO C[C@@]([NH3+])(c1ccc(F)cc1)C(F)F 87688185 574015459 /nfs/dbraw/zinc/01/54/59/574015459.db2.gz VNAKSZYKLGJBHN-SECBINFHSA-N 1 1 189.180 2.265 10 0 AEAEMO C[C@]([NH3+])(c1cccc(F)c1)C(F)F 87687987 574015577 /nfs/dbraw/zinc/01/55/77/574015577.db2.gz VHMRFLDUSNNCMP-VIFPVBQESA-N 1 1 189.180 2.265 10 0 AEAEMO [NH3+][C@]1(C(F)F)CCCc2ccccc21 87688141 574015653 /nfs/dbraw/zinc/01/56/53/574015653.db2.gz ZSLZMDIHASRPDE-LLVKDONJSA-N 1 1 197.228 2.442 10 0 AEAEMO CC(=O)[C@H]([NH3+])c1coc2ccccc12 104503586 574017240 /nfs/dbraw/zinc/01/72/40/574017240.db2.gz JKQOTYNBALXCCY-NSHDSACASA-N 1 1 189.214 2.022 10 0 AEAEMO CC(=O)[C@@H]([NH3+])c1cccc(Cl)c1C 104504739 574019563 /nfs/dbraw/zinc/01/95/63/574019563.db2.gz UPBTYUNLQHBWFJ-SNVBAGLBSA-N 1 1 197.665 2.237 10 0 AEAEMO CC(=O)[C@@H]([NH3+])c1ccc(C)cc1Cl 104504733 574019464 /nfs/dbraw/zinc/01/94/64/574019464.db2.gz WZUCUDQOSSINHU-SNVBAGLBSA-N 1 1 197.665 2.237 10 0 AEAEMO CC[C@@H](C)[N@H+]1CC[C@@H](O)CC1(C)C 259277867 574023033 /nfs/dbraw/zinc/02/30/33/574023033.db2.gz GKOUYDZQVAJQGV-NXEZZACHSA-N 1 1 185.311 2.020 10 0 AEAEMO CC(C)CCC[C@@H](C)[NH+]1CCNCC1 42590307 574024354 /nfs/dbraw/zinc/02/43/54/574024354.db2.gz IBHOWLRHSLTKSD-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)CCC[C@H](C)[NH+]1CCNCC1 42590310 574024536 /nfs/dbraw/zinc/02/45/36/574024536.db2.gz IBHOWLRHSLTKSD-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO C[N@H+]1CC[C@H](CNc2ccccc2)C1 104518934 574024574 /nfs/dbraw/zinc/02/45/74/574024574.db2.gz GNJFXIVCULXSMJ-LLVKDONJSA-N 1 1 190.290 2.050 10 0 AEAEMO CC(C)C[N@H+](CCNC1CC1)C(C)C 42590323 574025980 /nfs/dbraw/zinc/02/59/80/574025980.db2.gz FXOPCOYRKASCOU-UHFFFAOYSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[N@@H+](CCNC1CC1)C(C)C 42590323 574025982 /nfs/dbraw/zinc/02/59/82/574025982.db2.gz FXOPCOYRKASCOU-UHFFFAOYSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[N@@H+](CCN)CCC(C)(C)C 49254483 574026317 /nfs/dbraw/zinc/02/63/17/574026317.db2.gz FQYQQZATLJLZGT-UHFFFAOYSA-N 1 1 186.343 2.092 10 0 AEAEMO CC(C)N(CC[NH3+])CCC(C)(C)C 49254483 574026320 /nfs/dbraw/zinc/02/63/20/574026320.db2.gz FQYQQZATLJLZGT-UHFFFAOYSA-N 1 1 186.343 2.092 10 0 AEAEMO CC(C)(C)[C@H]1CCc2[nH+]c(N)[nH]c2C1 85279252 574026888 /nfs/dbraw/zinc/02/68/88/574026888.db2.gz PAYYMLXQHIGMPQ-ZETCQYMHSA-N 1 1 193.294 2.143 10 0 AEAEMO CC(C)(C)[C@@H]1CCc2[nH+]c(N)[nH]c2C1 85279251 574026893 /nfs/dbraw/zinc/02/68/93/574026893.db2.gz PAYYMLXQHIGMPQ-SSDOTTSWSA-N 1 1 193.294 2.143 10 0 AEAEMO CCC(C)(C)[NH2+]CCCN1CCCC1 49332201 574030838 /nfs/dbraw/zinc/03/08/38/574030838.db2.gz CSQMHZZQJOBNHY-UHFFFAOYSA-N 1 1 198.354 2.251 10 0 AEAEMO Cc1ccc([C@@H]2[NH2+]C[C@@H](C)S2)o1 85302502 574029949 /nfs/dbraw/zinc/02/99/49/574029949.db2.gz OJNKIPQIUVKBQA-VXNVDRBHSA-N 1 1 183.276 2.312 10 0 AEAEMO C[C@@H]1C[NH2+][C@@H](c2cccc(O)c2)S1 85302522 574030059 /nfs/dbraw/zinc/03/00/59/574030059.db2.gz JFGYQLSOWZAUSL-GMSGAONNSA-N 1 1 195.287 2.116 10 0 AEAEMO C[C@H]1CS[C@@H](c2ccco2)[NH2+]1 85309444 574031456 /nfs/dbraw/zinc/03/14/56/574031456.db2.gz QKUJUBLVTYKYDC-XPUUQOCRSA-N 1 1 169.249 2.003 10 0 AEAEMO C[C@@H]1C[NH2+][C@H](c2ccoc2)S1 85301100 574030282 /nfs/dbraw/zinc/03/02/82/574030282.db2.gz MAKBWIVNDDJSDK-SVRRBLITSA-N 1 1 169.249 2.003 10 0 AEAEMO C[C@@H]1C[NH2+][C@@H](c2ccco2)S1 85300862 574030385 /nfs/dbraw/zinc/03/03/85/574030385.db2.gz MSNPNPIFFISRAW-HTRCEHHLSA-N 1 1 169.249 2.003 10 0 AEAEMO C[C@@H]1C[NH2+][C@@H](c2ccoc2)S1 85301106 574030446 /nfs/dbraw/zinc/03/04/46/574030446.db2.gz MAKBWIVNDDJSDK-HTRCEHHLSA-N 1 1 169.249 2.003 10 0 AEAEMO C[C@@H]1C[NH2+][C@H](c2ccco2)S1 85300857 574030485 /nfs/dbraw/zinc/03/04/85/574030485.db2.gz MSNPNPIFFISRAW-SVRRBLITSA-N 1 1 169.249 2.003 10 0 AEAEMO Cc1ccc([C@H]2[NH2+]C[C@@H](C)S2)o1 85302503 574030664 /nfs/dbraw/zinc/03/06/64/574030664.db2.gz OJNKIPQIUVKBQA-APPZFPTMSA-N 1 1 183.276 2.312 10 0 AEAEMO C[C@H]1C[NH2+][C@H](c2ccoc2)S1 85301103 574030697 /nfs/dbraw/zinc/03/06/97/574030697.db2.gz MAKBWIVNDDJSDK-XPUUQOCRSA-N 1 1 169.249 2.003 10 0 AEAEMO C[C@H]1C[NH2+][C@H](c2cccc(O)c2)S1 85302519 574030750 /nfs/dbraw/zinc/03/07/50/574030750.db2.gz JFGYQLSOWZAUSL-XVKPBYJWSA-N 1 1 195.287 2.116 10 0 AEAEMO Cc1ccc([C@@H]2[NH2+]C[C@H](C)S2)o1 85302495 574030766 /nfs/dbraw/zinc/03/07/66/574030766.db2.gz OJNKIPQIUVKBQA-IONNQARKSA-N 1 1 183.276 2.312 10 0 AEAEMO C[C@H]1CS[C@@H](c2ccoc2)[NH2+]1 85309586 574030987 /nfs/dbraw/zinc/03/09/87/574030987.db2.gz XGCUCEDBYYELEV-XPUUQOCRSA-N 1 1 169.249 2.003 10 0 AEAEMO Cc1ccc([C@@H]2[NH2+][C@@H](C)CS2)o1 85310405 574031075 /nfs/dbraw/zinc/03/10/75/574031075.db2.gz VEKGGFRIGQCGSF-IMTBSYHQSA-N 1 1 183.276 2.312 10 0 AEAEMO C[C@@H]1CS[C@@H](c2ccoc2)[NH2+]1 85309583 574031158 /nfs/dbraw/zinc/03/11/58/574031158.db2.gz XGCUCEDBYYELEV-SVRRBLITSA-N 1 1 169.249 2.003 10 0 AEAEMO C[C@@H]1CS[C@H](c2ccco2)[NH2+]1 85309438 574031344 /nfs/dbraw/zinc/03/13/44/574031344.db2.gz QKUJUBLVTYKYDC-HTRCEHHLSA-N 1 1 169.249 2.003 10 0 AEAEMO Cc1ccc([C@H]2[NH2+][C@H](C)CS2)o1 85310403 574031348 /nfs/dbraw/zinc/03/13/48/574031348.db2.gz VEKGGFRIGQCGSF-MUWHJKNJSA-N 1 1 183.276 2.312 10 0 AEAEMO C[C@@H]1CCS[C@H](c2ccncc2)[NH2+]1 85318608 574035016 /nfs/dbraw/zinc/03/50/16/574035016.db2.gz JCLRIHKHVRXCGS-PSASIEDQSA-N 1 1 194.303 2.195 10 0 AEAEMO C[C@H]1CCS[C@@H](c2ccncc2)[NH2+]1 85318611 574035591 /nfs/dbraw/zinc/03/55/91/574035591.db2.gz JCLRIHKHVRXCGS-WPRPVWTQSA-N 1 1 194.303 2.195 10 0 AEAEMO C[C@@H]1CCS[C@@H](c2ccncc2)[NH2+]1 85318610 574036105 /nfs/dbraw/zinc/03/61/05/574036105.db2.gz JCLRIHKHVRXCGS-SCZZXKLOSA-N 1 1 194.303 2.195 10 0 AEAEMO C[C@@H]1CC[NH2+][C@H](c2ccncc2)S1 85342190 574037277 /nfs/dbraw/zinc/03/72/77/574037277.db2.gz CSLVRLPFKXECBY-SCZZXKLOSA-N 1 1 194.303 2.195 10 0 AEAEMO CCCNc1cc(NCC)nc(C)[nH+]1 87806641 574037469 /nfs/dbraw/zinc/03/74/69/574037469.db2.gz IGXBSHONUZUYTN-UHFFFAOYSA-N 1 1 194.282 2.039 10 0 AEAEMO C[C@@H]1C[NH2+][C@@H](c2ccncc2)SC1 85337185 574037489 /nfs/dbraw/zinc/03/74/89/574037489.db2.gz GCUXAMHTCLAXJS-PSASIEDQSA-N 1 1 194.303 2.053 10 0 AEAEMO C[C@@H]1C[NH2+][C@@H](c2cccnc2)SC1 85337484 574038250 /nfs/dbraw/zinc/03/82/50/574038250.db2.gz QLAFPRFVRCYWBB-PSASIEDQSA-N 1 1 194.303 2.053 10 0 AEAEMO CNc1nc(NC(C)(C)C)c(C)c[nH+]1 87801767 574037519 /nfs/dbraw/zinc/03/75/19/574037519.db2.gz LYKPADAMVZCRMA-UHFFFAOYSA-N 1 1 194.282 2.037 10 0 AEAEMO CCNc1nc(N[C@@H](C)CC)cc[nH+]1 87806998 574038251 /nfs/dbraw/zinc/03/82/51/574038251.db2.gz OEWFPRRGTVTOEW-QMMMGPOBSA-N 1 1 194.282 2.119 10 0 AEAEMO CCC(CC)Nc1cc[nH+]c(NC)n1 87807289 574037550 /nfs/dbraw/zinc/03/75/50/574037550.db2.gz DVKICSJBIJQFNW-UHFFFAOYSA-N 1 1 194.282 2.119 10 0 AEAEMO CCNc1nc(N[C@H](C)CC)cc[nH+]1 87806997 574038179 /nfs/dbraw/zinc/03/81/79/574038179.db2.gz OEWFPRRGTVTOEW-MRVPVSSYSA-N 1 1 194.282 2.119 10 0 AEAEMO C[C@@H]1C[NH2+][C@H](c2cccnc2)SC1 85337478 574037648 /nfs/dbraw/zinc/03/76/48/574037648.db2.gz QLAFPRFVRCYWBB-SCZZXKLOSA-N 1 1 194.303 2.053 10 0 AEAEMO C[C@H]1C[NH2+][C@H](c2cccnc2)SC1 85337482 574037790 /nfs/dbraw/zinc/03/77/90/574037790.db2.gz QLAFPRFVRCYWBB-WPRPVWTQSA-N 1 1 194.303 2.053 10 0 AEAEMO C[C@H]1C[NH2+][C@@H](c2ccncc2)SC1 85337187 574037857 /nfs/dbraw/zinc/03/78/57/574037857.db2.gz GCUXAMHTCLAXJS-WCBMZHEXSA-N 1 1 194.303 2.053 10 0 AEAEMO CC[C@@H](C)Nc1nc(NC)[nH+]cc1C 87806979 574037882 /nfs/dbraw/zinc/03/78/82/574037882.db2.gz PBHLMYWLXHZGQV-MRVPVSSYSA-N 1 1 194.282 2.037 10 0 AEAEMO C[C@H]1CC[NH2+][C@H](c2ccncc2)S1 85342192 574037980 /nfs/dbraw/zinc/03/79/80/574037980.db2.gz CSLVRLPFKXECBY-WPRPVWTQSA-N 1 1 194.303 2.195 10 0 AEAEMO C[C@H]1C[NH2+][C@@H](c2cccnc2)SC1 85337488 574038053 /nfs/dbraw/zinc/03/80/53/574038053.db2.gz QLAFPRFVRCYWBB-WCBMZHEXSA-N 1 1 194.303 2.053 10 0 AEAEMO CNc1cc(NC(C)(C)C)[nH+]c(C)n1 87801717 574038086 /nfs/dbraw/zinc/03/80/86/574038086.db2.gz ISLQGUFTUSXQFP-UHFFFAOYSA-N 1 1 194.282 2.037 10 0 AEAEMO CCC(C)(C)Nc1cc[nH+]c(NC)n1 87801669 574038099 /nfs/dbraw/zinc/03/80/99/574038099.db2.gz IWUZXIJDKRRYSJ-UHFFFAOYSA-N 1 1 194.282 2.119 10 0 AEAEMO CCNc1nc(NC(C)(C)C)cc[nH+]1 87801784 574038102 /nfs/dbraw/zinc/03/81/02/574038102.db2.gz JICJFWZLXKNFTE-UHFFFAOYSA-N 1 1 194.282 2.119 10 0 AEAEMO CCCNc1nc(NCC)[nH+]cc1C 87806700 574038158 /nfs/dbraw/zinc/03/81/58/574038158.db2.gz IODKBKJQNFBEIO-UHFFFAOYSA-N 1 1 194.282 2.039 10 0 AEAEMO CC[C@H]1CS[C@@H](c2ccccn2)[NH2+]1 85347273 574040093 /nfs/dbraw/zinc/04/00/93/574040093.db2.gz KVJGEKWFQQRECM-WPRPVWTQSA-N 1 1 194.303 2.195 10 0 AEAEMO CC[C@@H]1CS[C@@H](c2ccco2)[NH2+]1 85347044 574040121 /nfs/dbraw/zinc/04/01/21/574040121.db2.gz NXGDFVFLXVPUTK-APPZFPTMSA-N 1 1 183.276 2.393 10 0 AEAEMO CCC[C@@H](C)Nc1cc[nH+]c(NC)n1 87807753 574041072 /nfs/dbraw/zinc/04/10/72/574041072.db2.gz LEUGYIJUFZXEQZ-MRVPVSSYSA-N 1 1 194.282 2.119 10 0 AEAEMO CCCCCNc1cc[nH+]c(NC)n1 87808005 574040348 /nfs/dbraw/zinc/04/03/48/574040348.db2.gz NFFAJQUVVQPDIJ-UHFFFAOYSA-N 1 1 194.282 2.120 10 0 AEAEMO C[C@H]([NH2+][C@H](C)CCN(C)C)C1(C)CC1 49553809 574040749 /nfs/dbraw/zinc/04/07/49/574040749.db2.gz NIOBKFAHYBBBPD-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CS[C@@H](c2ccoc2)[NH2+]1 85347104 574040789 /nfs/dbraw/zinc/04/07/89/574040789.db2.gz BGWYTKIILKPLOW-BDAKNGLRSA-N 1 1 183.276 2.393 10 0 AEAEMO CC1(C)C[C@@H](CO)C[N@H+]1C1CCCC1 259297116 574040844 /nfs/dbraw/zinc/04/08/44/574040844.db2.gz HJGWGJZRRPMWOK-SNVBAGLBSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H]1CS[C@@H](c2ccoc2)[NH2+]1 85347105 574040920 /nfs/dbraw/zinc/04/09/20/574040920.db2.gz BGWYTKIILKPLOW-IUCAKERBSA-N 1 1 183.276 2.393 10 0 AEAEMO CC[C@H]1CS[C@H](c2ccco2)[NH2+]1 85347043 574042244 /nfs/dbraw/zinc/04/22/44/574042244.db2.gz NXGDFVFLXVPUTK-IONNQARKSA-N 1 1 183.276 2.393 10 0 AEAEMO CCCCNc1nc(NC)[nH+]cc1C 87807928 574042384 /nfs/dbraw/zinc/04/23/84/574042384.db2.gz WSCRBQXFVPZGHV-UHFFFAOYSA-N 1 1 194.282 2.039 10 0 AEAEMO C[C@H](CCN(C)C)[NH2+][C@H](C)C1(C)CC1 49553811 574042738 /nfs/dbraw/zinc/04/27/38/574042738.db2.gz NIOBKFAHYBBBPD-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CC1(C)CS[C@H](c2ccoc2)[NH2+]1 85349626 574042796 /nfs/dbraw/zinc/04/27/96/574042796.db2.gz XATXLQNZKKJOAU-MRVPVSSYSA-N 1 1 183.276 2.393 10 0 AEAEMO CCCCC[NH2+][C@H](C)CCN(C)C 49553678 574042863 /nfs/dbraw/zinc/04/28/63/574042863.db2.gz XZIZBYSNCIYMNB-LLVKDONJSA-N 1 1 186.343 2.106 10 0 AEAEMO CC1(C)CS[C@@H](c2ccco2)[NH2+]1 85349593 574043041 /nfs/dbraw/zinc/04/30/41/574043041.db2.gz WTWQKGWAYXEWKJ-QMMMGPOBSA-N 1 1 183.276 2.393 10 0 AEAEMO CC[C@H](C)[N@H+]1CCCC(=O)C1(C)C 259300179 574046918 /nfs/dbraw/zinc/04/69/18/574046918.db2.gz HMCIEVDVMOFDSN-VIFPVBQESA-N 1 1 183.295 2.228 10 0 AEAEMO CC1(C)C(=O)CC[N@H+]1C1CCCCC1 259499781 574045373 /nfs/dbraw/zinc/04/53/73/574045373.db2.gz SUOIOBANELWUQX-UHFFFAOYSA-N 1 1 195.306 2.373 10 0 AEAEMO CCc1[nH+]ccn1[C@H]1CCCCO1 224174599 574045410 /nfs/dbraw/zinc/04/54/10/574045410.db2.gz UZLJRXSCCQFGHM-SNVBAGLBSA-N 1 1 180.251 2.145 10 0 AEAEMO CC(C)(C)C(C)(C)[N@H+]1CCCNCC1 113105920 574045685 /nfs/dbraw/zinc/04/56/85/574045685.db2.gz SZFQAGPEHBKPPW-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO Cc1ccc(N2CCCCC2)[nH+]c1 113075027 574046430 /nfs/dbraw/zinc/04/64/30/574046430.db2.gz ZDICTLFPOMFOBZ-UHFFFAOYSA-N 1 1 176.263 2.380 10 0 AEAEMO C[C@H]1CC(C)(C)[N@H+]1[C@@H]1CCSC1 687829017 575188998 /nfs/dbraw/zinc/18/89/98/575188998.db2.gz IOEXASHUUKUOTC-DTWKUNHWSA-N 1 1 185.336 2.365 10 0 AEAEMO C[C@@H]1CC(C)(C)[N@H+]1[C@H]1CCSC1 687829016 575189135 /nfs/dbraw/zinc/18/91/35/575189135.db2.gz IOEXASHUUKUOTC-BDAKNGLRSA-N 1 1 185.336 2.365 10 0 AEAEMO C[C@H]1CC(C)(C)[N@H+]1[C@H]1CCSC1 687829018 575189142 /nfs/dbraw/zinc/18/91/42/575189142.db2.gz IOEXASHUUKUOTC-IUCAKERBSA-N 1 1 185.336 2.365 10 0 AEAEMO C[C@@H]1CC(C)(C)[N@H+]1[C@@H]1CCSC1 687829019 575189313 /nfs/dbraw/zinc/18/93/13/575189313.db2.gz IOEXASHUUKUOTC-RKDXNWHRSA-N 1 1 185.336 2.365 10 0 AEAEMO CC(C)C[C@H](N)C[N@H+]1CCC[C@@H](C)C1 20071899 486712828 /nfs/dbraw/zinc/71/28/28/486712828.db2.gz KABZWDQUMIVSND-NEPJUHHUSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@H]([NH3+])CN1CCC[C@@H](C)C1 20071899 486712832 /nfs/dbraw/zinc/71/28/32/486712832.db2.gz KABZWDQUMIVSND-NEPJUHHUSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@@H]([NH3+])CN1CCCC[C@@H]1C 20071551 486713080 /nfs/dbraw/zinc/71/30/80/486713080.db2.gz SUVAMUCGODMVOO-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@@H](N)C[N@@H+]1CCCC[C@@H]1C 20071551 486713084 /nfs/dbraw/zinc/71/30/84/486713084.db2.gz SUVAMUCGODMVOO-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@@H](N)C[N@H+]1CCCC[C@@H]1C 20071551 486713088 /nfs/dbraw/zinc/71/30/88/486713088.db2.gz SUVAMUCGODMVOO-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@H]([NH3+])CN1CCCC[C@@H]1C 20071554 486713304 /nfs/dbraw/zinc/71/33/04/486713304.db2.gz SUVAMUCGODMVOO-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@H](N)C[N@@H+]1CCCC[C@@H]1C 20071554 486713307 /nfs/dbraw/zinc/71/33/07/486713307.db2.gz SUVAMUCGODMVOO-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@H](N)C[N@H+]1CCCC[C@@H]1C 20071554 486713310 /nfs/dbraw/zinc/71/33/10/486713310.db2.gz SUVAMUCGODMVOO-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@@H]([NH3+])CN1CCCCCC1 20071966 486713370 /nfs/dbraw/zinc/71/33/70/486713370.db2.gz HFTLELDGGLCTQT-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)C[C@@H]([NH3+])CN1CCC(C)CC1 20071331 486713512 /nfs/dbraw/zinc/71/35/12/486713512.db2.gz ZUEGSXZCMUZBJS-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@@H](N)C[N@H+]1CCC[C@@H](C)C1 20071897 486713652 /nfs/dbraw/zinc/71/36/52/486713652.db2.gz KABZWDQUMIVSND-VXGBXAGGSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@@H]([NH3+])CN1CCC[C@@H](C)C1 20071897 486713654 /nfs/dbraw/zinc/71/36/54/486713654.db2.gz KABZWDQUMIVSND-VXGBXAGGSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCCN(C)C[C@H]([NH3+])CC(C)C 20072697 486713993 /nfs/dbraw/zinc/71/39/93/486713993.db2.gz MHLDEWIIULMNFL-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCCC[N@H+](C)C[C@H](N)CC(C)C 20072697 486713996 /nfs/dbraw/zinc/71/39/96/486713996.db2.gz MHLDEWIIULMNFL-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCCC[N@@H+](C)C[C@H](N)CC(C)C 20072697 486714001 /nfs/dbraw/zinc/71/40/01/486714001.db2.gz MHLDEWIIULMNFL-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CC(C)C[C@H]([NH3+])CN1CCCCCC1 20071968 486714265 /nfs/dbraw/zinc/71/42/65/486714265.db2.gz HFTLELDGGLCTQT-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)C[C@H](N)C[N@@H+](C)C1CCCC1 37092899 486717722 /nfs/dbraw/zinc/71/77/22/486717722.db2.gz MDROXXITGLISKS-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@H]([NH3+])CN(C)C1CCCC1 37092899 486717724 /nfs/dbraw/zinc/71/77/24/486717724.db2.gz MDROXXITGLISKS-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@H](N)C[N@@H+](C)[C@@H](C)C1CC1 36785630 486717949 /nfs/dbraw/zinc/71/79/49/486717949.db2.gz VGSFGLWUMREETB-JQWIXIFHSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@H]([NH3+])CN(C)[C@@H](C)C1CC1 36785630 486717952 /nfs/dbraw/zinc/71/79/52/486717952.db2.gz VGSFGLWUMREETB-JQWIXIFHSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@H](C)[N@@H+](C)C[C@H](N)CC(C)C 37110436 486718123 /nfs/dbraw/zinc/71/81/23/486718123.db2.gz VZTMFHHHFUAKRG-WDEREUQCSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C)N(C)C[C@H]([NH3+])CC(C)C 37110436 486718128 /nfs/dbraw/zinc/71/81/28/486718128.db2.gz VZTMFHHHFUAKRG-WDEREUQCSA-N 1 1 186.343 2.090 10 0 AEAEMO CC(C)C[C@@H](N)C[N@@H+](C)[C@@H](C)C1CC1 36785631 486718200 /nfs/dbraw/zinc/71/82/00/486718200.db2.gz VGSFGLWUMREETB-CMPLNLGQSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@@H]([NH3+])CN(C)[C@@H](C)C1CC1 36785631 486718204 /nfs/dbraw/zinc/71/82/04/486718204.db2.gz VGSFGLWUMREETB-CMPLNLGQSA-N 1 1 198.354 2.090 10 0 AEAEMO CCCN(C[C@@H]([NH3+])CC(C)C)C1CC1 37097476 486718331 /nfs/dbraw/zinc/71/83/31/486718331.db2.gz KREJXKMUJHWODB-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@H+](C[C@@H](N)CC(C)C)C1CC1 37097476 486718335 /nfs/dbraw/zinc/71/83/35/486718335.db2.gz KREJXKMUJHWODB-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+](C[C@@H](N)CC(C)C)C1CC1 37097476 486718337 /nfs/dbraw/zinc/71/83/37/486718337.db2.gz KREJXKMUJHWODB-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+](CC)C[C@H](N)CC(C)C 37095218 486718455 /nfs/dbraw/zinc/71/84/55/486718455.db2.gz VDNHPODDHGIEKY-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCCN(CC)C[C@H]([NH3+])CC(C)C 37095218 486718456 /nfs/dbraw/zinc/71/84/56/486718456.db2.gz VDNHPODDHGIEKY-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CC(C)C[C@@H](N)C[N@@H+](C)C1CCCC1 37092900 486718466 /nfs/dbraw/zinc/71/84/66/486718466.db2.gz MDROXXITGLISKS-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@@H]([NH3+])CN(C)C1CCCC1 37092900 486718468 /nfs/dbraw/zinc/71/84/68/486718468.db2.gz MDROXXITGLISKS-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCN(C[C@H]([NH3+])CC(C)C)C1CC1 37097475 486718491 /nfs/dbraw/zinc/71/84/91/486718491.db2.gz KREJXKMUJHWODB-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@H+](C[C@H](N)CC(C)C)C1CC1 37097475 486718493 /nfs/dbraw/zinc/71/84/93/486718493.db2.gz KREJXKMUJHWODB-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+](C[C@H](N)CC(C)C)C1CC1 37097475 486718495 /nfs/dbraw/zinc/71/84/95/486718495.db2.gz KREJXKMUJHWODB-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+](CC)C[C@@H](N)CC(C)C 37095219 486718498 /nfs/dbraw/zinc/71/84/98/486718498.db2.gz VDNHPODDHGIEKY-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)C[C@H](N)CC(C)C 37110435 486718528 /nfs/dbraw/zinc/71/85/28/486718528.db2.gz VZTMFHHHFUAKRG-GHMZBOCLSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@H](C)N(C)C[C@H]([NH3+])CC(C)C 37110435 486718529 /nfs/dbraw/zinc/71/85/29/486718529.db2.gz VZTMFHHHFUAKRG-GHMZBOCLSA-N 1 1 186.343 2.090 10 0 AEAEMO CCCN(CC)C[C@@H]([NH3+])CC(C)C 37095219 486718500 /nfs/dbraw/zinc/71/85/00/486718500.db2.gz VDNHPODDHGIEKY-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CC(C)C[C@@H](N)C[N@H+]1CCC[C@H](C)C1 37115961 486718947 /nfs/dbraw/zinc/71/89/47/486718947.db2.gz KABZWDQUMIVSND-NWDGAFQWSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@@H]([NH3+])CN1CCC[C@H](C)C1 37115961 486718950 /nfs/dbraw/zinc/71/89/50/486718950.db2.gz KABZWDQUMIVSND-NWDGAFQWSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@@H]([NH3+])CN1CCCC[C@H]1C 37115946 486719003 /nfs/dbraw/zinc/71/90/03/486719003.db2.gz SUVAMUCGODMVOO-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@@H](N)C[N@@H+]1CCCC[C@H]1C 37115946 486719007 /nfs/dbraw/zinc/71/90/07/486719007.db2.gz SUVAMUCGODMVOO-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@@H](N)C[N@H+]1CCCC[C@H]1C 37115946 486719011 /nfs/dbraw/zinc/71/90/11/486719011.db2.gz SUVAMUCGODMVOO-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@H]([NH3+])CN1CCC(C)CC1 39140973 486722803 /nfs/dbraw/zinc/72/28/03/486722803.db2.gz ZUEGSXZCMUZBJS-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1C[C@H]2CCC[C@@H](C)[N@H+]2C1 39080447 486722838 /nfs/dbraw/zinc/72/28/38/486722838.db2.gz KZBHBOGGHZZBMN-OPRDCNLKSA-N 1 1 153.269 2.269 10 0 AEAEMO C[C@@H]1CC[N@H+]2C[C@H](C)C[C@@H]2C1 39080408 486722876 /nfs/dbraw/zinc/72/28/76/486722876.db2.gz TYIFLUUZNXGYBE-BBBLOLIVSA-N 1 1 153.269 2.127 10 0 AEAEMO C[C@@H]1C[C@@H]2CCC[C@@H](C)[N@H+]2C1 39080443 486723024 /nfs/dbraw/zinc/72/30/24/486723024.db2.gz KZBHBOGGHZZBMN-BBBLOLIVSA-N 1 1 153.269 2.269 10 0 AEAEMO CCCCN(C)C[C@@H]([NH3+])CC(C)C 39141117 486723200 /nfs/dbraw/zinc/72/32/00/486723200.db2.gz MHLDEWIIULMNFL-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CCCC[N@H+](C)C[C@@H](N)CC(C)C 39141117 486723204 /nfs/dbraw/zinc/72/32/04/486723204.db2.gz MHLDEWIIULMNFL-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CCCC[N@@H+](C)C[C@@H](N)CC(C)C 39141117 486723210 /nfs/dbraw/zinc/72/32/10/486723210.db2.gz MHLDEWIIULMNFL-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO COC[C@H](C)C[N@H+]1C[C@H](C)[C@H](C)[C@H]1C 669576065 486726327 /nfs/dbraw/zinc/72/63/27/486726327.db2.gz ZDJGSVSLARAHGA-NOOOWODRSA-N 1 1 199.338 2.245 10 0 AEAEMO C[C@@H]1C[N@@H+](Cc2cocn2)[C@H](C)[C@@H]1C 669575989 486726435 /nfs/dbraw/zinc/72/64/35/486726435.db2.gz MFOQZTPJJSVZBN-OPRDCNLKSA-N 1 1 194.278 2.151 10 0 AEAEMO C[C@@H]1C[N@@H+](CC2(F)CC2)[C@H](C)[C@H]1C 669576000 486726483 /nfs/dbraw/zinc/72/64/83/486726483.db2.gz NEBVEKMGWYRKAH-KXUCPTDWSA-N 1 1 185.286 2.465 10 0 AEAEMO COC[C@H](C)C[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C 669576064 486726495 /nfs/dbraw/zinc/72/64/95/486726495.db2.gz ZDJGSVSLARAHGA-KXNHARMFSA-N 1 1 199.338 2.245 10 0 AEAEMO C[C@@H]1C[N@@H+](Cc2cocn2)[C@H](C)[C@H]1C 669575988 486726546 /nfs/dbraw/zinc/72/65/46/486726546.db2.gz MFOQZTPJJSVZBN-KXUCPTDWSA-N 1 1 194.278 2.151 10 0 AEAEMO C[C@@H]1C[N@@H+](CC2(F)CC2)[C@@H](C)[C@@H]1C 669575999 486726580 /nfs/dbraw/zinc/72/65/80/486726580.db2.gz NEBVEKMGWYRKAH-BBBLOLIVSA-N 1 1 185.286 2.465 10 0 AEAEMO COC[C@H](C)C[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C 669576067 486726807 /nfs/dbraw/zinc/72/68/07/486726807.db2.gz ZDJGSVSLARAHGA-WRWGMCAJSA-N 1 1 199.338 2.245 10 0 AEAEMO C[C@@H]1C[N@@H+](Cc2cocn2)[C@@H](C)[C@@H]1C 669575987 486726904 /nfs/dbraw/zinc/72/69/04/486726904.db2.gz MFOQZTPJJSVZBN-BBBLOLIVSA-N 1 1 194.278 2.151 10 0 AEAEMO C[C@@H]1C[N@@H+](Cc2cocn2)[C@@H](C)[C@H]1C 669575990 486726985 /nfs/dbraw/zinc/72/69/85/486726985.db2.gz MFOQZTPJJSVZBN-UTLUCORTSA-N 1 1 194.278 2.151 10 0 AEAEMO COC[C@H](C)C[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C 669576066 486727128 /nfs/dbraw/zinc/72/71/28/486727128.db2.gz ZDJGSVSLARAHGA-RHYQMDGZSA-N 1 1 199.338 2.245 10 0 AEAEMO C[C@@H]1C[N@@H+](CC2(F)CC2)[C@H](C)[C@@H]1C 669576001 486727187 /nfs/dbraw/zinc/72/71/87/486727187.db2.gz NEBVEKMGWYRKAH-OPRDCNLKSA-N 1 1 185.286 2.465 10 0 AEAEMO C[C@@H]1C[N@@H+](CC2(F)CC2)[C@@H](C)[C@H]1C 669576002 486727195 /nfs/dbraw/zinc/72/71/95/486727195.db2.gz NEBVEKMGWYRKAH-UTLUCORTSA-N 1 1 185.286 2.465 10 0 AEAEMO COCCCC[N@@H+](C)CC=C(C)C 669577905 486727964 /nfs/dbraw/zinc/72/79/64/486727964.db2.gz HCUFKOBBJVIJFR-UHFFFAOYSA-N 1 1 185.311 2.311 10 0 AEAEMO C[N@@H+](C[C@H](O)C(C)(C)C)C1CCCC1 44128540 486728056 /nfs/dbraw/zinc/72/80/56/486728056.db2.gz OUDSLIXKBIVMRS-NSHDSACASA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H](C1CC1)[N@@H+](C)C[C@H](O)C(C)(C)C 44133192 486728303 /nfs/dbraw/zinc/72/83/03/486728303.db2.gz UJNSNKFZZFWLFU-ONGXEEELSA-N 1 1 199.338 2.124 10 0 AEAEMO C[C@H](C1CC1)[N@@H+](C)C[C@H](O)C(C)(C)C 44133194 486728309 /nfs/dbraw/zinc/72/83/09/486728309.db2.gz UJNSNKFZZFWLFU-KOLCDFICSA-N 1 1 199.338 2.124 10 0 AEAEMO CCCC[N@@H+](C)C[C@H](O)C(C)(C)C 44122708 486728370 /nfs/dbraw/zinc/72/83/70/486728370.db2.gz AXXLOECOFDBZPR-JTQLQIEISA-N 1 1 187.327 2.125 10 0 AEAEMO C[N@@H+](C[C@@H](O)C(C)(C)C)C1CCCC1 44128537 486728391 /nfs/dbraw/zinc/72/83/91/486728391.db2.gz OUDSLIXKBIVMRS-LLVKDONJSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCC[N@@H+](C)C[C@@H](O)C(C)(C)C 44122713 486728874 /nfs/dbraw/zinc/72/88/74/486728874.db2.gz AXXLOECOFDBZPR-SNVBAGLBSA-N 1 1 187.327 2.125 10 0 AEAEMO C[C@@H]1CCCC[C@H]1C[N@@H+](C)CCCO 669621509 486729574 /nfs/dbraw/zinc/72/95/74/486729574.db2.gz ODFTUWIVBVBORX-NEPJUHHUSA-N 1 1 199.338 2.127 10 0 AEAEMO C[C@@H]1CCCC[C@@H]1C[N@@H+](C)CCCO 669621512 486729871 /nfs/dbraw/zinc/72/98/71/486729871.db2.gz ODFTUWIVBVBORX-VXGBXAGGSA-N 1 1 199.338 2.127 10 0 AEAEMO C[C@H]1CCCC[C@@H]1C[N@@H+](C)CCCO 669621510 486730191 /nfs/dbraw/zinc/73/01/91/486730191.db2.gz ODFTUWIVBVBORX-NWDGAFQWSA-N 1 1 199.338 2.127 10 0 AEAEMO C[C@H]1CCCC[C@H]1C[N@@H+](C)CCCO 669621511 486730231 /nfs/dbraw/zinc/73/02/31/486730231.db2.gz ODFTUWIVBVBORX-RYUDHWBXSA-N 1 1 199.338 2.127 10 0 AEAEMO CC(C)COCC[N@@H+](C)[C@@H](C)C1CC1 669687632 486730740 /nfs/dbraw/zinc/73/07/40/486730740.db2.gz FUWPVETUBMURGO-NSHDSACASA-N 1 1 199.338 2.389 10 0 AEAEMO CC(C)COCC[N@H+]1CCC[C@@H](C)C1 669687651 486730873 /nfs/dbraw/zinc/73/08/73/486730873.db2.gz BUCPTPVFZSYMFH-GFCCVEGCSA-N 1 1 199.338 2.391 10 0 AEAEMO CC(C)COCC[N@@H+](C)[C@H](C)C1CC1 669687631 486730919 /nfs/dbraw/zinc/73/09/19/486730919.db2.gz FUWPVETUBMURGO-LLVKDONJSA-N 1 1 199.338 2.389 10 0 AEAEMO CC(C)COCC[N@@H+](C)CC1CC1 669688496 486731137 /nfs/dbraw/zinc/73/11/37/486731137.db2.gz XONCJLCVXHORFG-UHFFFAOYSA-N 1 1 185.311 2.001 10 0 AEAEMO CC(C)COCC[N@H+]1CC[C@@H](C)C1 669689236 486731222 /nfs/dbraw/zinc/73/12/22/486731222.db2.gz GIXXLROUVOWCRC-LLVKDONJSA-N 1 1 185.311 2.001 10 0 AEAEMO CC(C)COCC[N@H+]1CC[C@@H](C)[C@H]1C 669690422 486731281 /nfs/dbraw/zinc/73/12/81/486731281.db2.gz GBNVQKMNZCCNOP-VXGBXAGGSA-N 1 1 199.338 2.389 10 0 AEAEMO CC[C@H](C)[N@@H+](C)CCOCC(C)C 669691177 486731416 /nfs/dbraw/zinc/73/14/16/486731416.db2.gz CHHGWPBBBKPTEA-NSHDSACASA-N 1 1 187.327 2.389 10 0 AEAEMO CC(C)COCC[N@H+]1CC[C@H](C)[C@H]1C 669690420 486731475 /nfs/dbraw/zinc/73/14/75/486731475.db2.gz GBNVQKMNZCCNOP-NWDGAFQWSA-N 1 1 199.338 2.389 10 0 AEAEMO CC(C)COCC[N@H+]1CCC(C)(C)C1 669690362 486731530 /nfs/dbraw/zinc/73/15/30/486731530.db2.gz CLPNJSYTYMZDHA-UHFFFAOYSA-N 1 1 199.338 2.391 10 0 AEAEMO CC(C)COCC[N@H+]1CC[C@@H](C)[C@@H]1C 669690419 486731712 /nfs/dbraw/zinc/73/17/12/486731712.db2.gz GBNVQKMNZCCNOP-NEPJUHHUSA-N 1 1 199.338 2.389 10 0 AEAEMO CC(C)COCC[N@H+]1CCC[C@H](C)C1 669687652 486731737 /nfs/dbraw/zinc/73/17/37/486731737.db2.gz BUCPTPVFZSYMFH-LBPRGKRZSA-N 1 1 199.338 2.391 10 0 AEAEMO CC(C)COCC[N@H+]1CC[C@H](C)[C@@H]1C 669690421 486731767 /nfs/dbraw/zinc/73/17/67/486731767.db2.gz GBNVQKMNZCCNOP-RYUDHWBXSA-N 1 1 199.338 2.389 10 0 AEAEMO CCC[N@@H+](CC)CCOCC(C)C 669688764 486731922 /nfs/dbraw/zinc/73/19/22/486731922.db2.gz HAZJICYFWQVZAI-UHFFFAOYSA-N 1 1 187.327 2.391 10 0 AEAEMO CC[N@@H+](CCOCC(C)C)C1CC1 669688059 486731956 /nfs/dbraw/zinc/73/19/56/486731956.db2.gz ALBUZVNMKMJWJD-UHFFFAOYSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)CCOCC(C)C 669691176 486732001 /nfs/dbraw/zinc/73/20/01/486732001.db2.gz CHHGWPBBBKPTEA-LLVKDONJSA-N 1 1 187.327 2.389 10 0 AEAEMO CC(C)COCC[N@H+]1CC[C@H](C)C1 669689237 486732012 /nfs/dbraw/zinc/73/20/12/486732012.db2.gz GIXXLROUVOWCRC-NSHDSACASA-N 1 1 185.311 2.001 10 0 AEAEMO CC[C@H]1CC[N@@H+](CCOCC(C)C)C1 669690541 486732054 /nfs/dbraw/zinc/73/20/54/486732054.db2.gz HJFFSNWUZIOOPF-LBPRGKRZSA-N 1 1 199.338 2.391 10 0 AEAEMO CC[C@@H]1CC[N@@H+](CCOCC(C)C)C1 669690540 486732061 /nfs/dbraw/zinc/73/20/61/486732061.db2.gz HJFFSNWUZIOOPF-GFCCVEGCSA-N 1 1 199.338 2.391 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@H](C)O[C@H](C2CC2)C1 669693841 486732471 /nfs/dbraw/zinc/73/24/71/486732471.db2.gz ZAYUNWQLXIZKOZ-NHCYSSNCSA-N 1 1 197.322 2.284 10 0 AEAEMO CC[C@H](C)[N@@H+]1C[C@H](C2CC2)O[C@H](C)C1 669693839 486732543 /nfs/dbraw/zinc/73/25/43/486732543.db2.gz ZAYUNWQLXIZKOZ-HOSYDEDBSA-N 1 1 197.322 2.284 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 669693840 486732562 /nfs/dbraw/zinc/73/25/62/486732562.db2.gz ZAYUNWQLXIZKOZ-JBLDHEPKSA-N 1 1 197.322 2.284 10 0 AEAEMO CC[N@@H+](C)Cc1cccc(OC)c1F 669707213 486733105 /nfs/dbraw/zinc/73/31/05/486733105.db2.gz PPOGJSUOAUMBEH-UHFFFAOYSA-N 1 1 197.253 2.286 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 669693842 486733151 /nfs/dbraw/zinc/73/31/51/486733151.db2.gz ZAYUNWQLXIZKOZ-UMNHJUIQSA-N 1 1 197.322 2.284 10 0 AEAEMO CC/C=C\CC[N@H+]1CCC(=O)[C@H](C)C1 670087866 486735872 /nfs/dbraw/zinc/73/58/72/486735872.db2.gz DIKYPUCBJBXYKV-DOGVGXBMSA-N 1 1 195.306 2.254 10 0 AEAEMO CC/C=C/CC[N@H+]1CCC(=O)[C@H](C)C1 670087867 486736127 /nfs/dbraw/zinc/73/61/27/486736127.db2.gz DIKYPUCBJBXYKV-SGUJLRQBSA-N 1 1 195.306 2.254 10 0 AEAEMO C[C@H]1CCC[C@H](C[N@H+](C)[C@@H](C)CO)C1 670107006 486736902 /nfs/dbraw/zinc/73/69/02/486736902.db2.gz UCSMFUHENYZXPD-SRVKXCTJSA-N 1 1 199.338 2.125 10 0 AEAEMO CC/C=C/CC[N@H+]1CCC(=O)[C@@H](C)C1 670087869 486737028 /nfs/dbraw/zinc/73/70/28/486737028.db2.gz DIKYPUCBJBXYKV-ZWNMCFTASA-N 1 1 195.306 2.254 10 0 AEAEMO CC/C=C\CC[N@H+]1CCC(=O)[C@@H](C)C1 670087868 486737206 /nfs/dbraw/zinc/73/72/06/486737206.db2.gz DIKYPUCBJBXYKV-WYGGZMRJSA-N 1 1 195.306 2.254 10 0 AEAEMO C[C@@H](CO)[N@@H+](C)CC1CCCCCC1 670107307 486737221 /nfs/dbraw/zinc/73/72/21/486737221.db2.gz FFXIXLPJTIJPPT-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO C[C@@H](CO)[N@@H+](C)CCCC1CCCC1 670107123 486737444 /nfs/dbraw/zinc/73/74/44/486737444.db2.gz WWXLFUMZOFKBML-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO C[C@H]1CCC[C@@H](C[N@H+](C)[C@@H](C)CO)C1 670107005 486737574 /nfs/dbraw/zinc/73/75/74/486737574.db2.gz UCSMFUHENYZXPD-SDDRHHMPSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@@H](C[N@@H+](C)[C@@H]1CCOC1)C(C)(C)C 670263738 486738560 /nfs/dbraw/zinc/73/85/60/486738560.db2.gz SSTPVPYPIUKOMV-WDEREUQCSA-N 1 1 199.338 2.389 10 0 AEAEMO C[C@@H](C[N@@H+](C)[C@H]1CCOC1)C(C)(C)C 670263737 486738573 /nfs/dbraw/zinc/73/85/73/486738573.db2.gz SSTPVPYPIUKOMV-QWRGUYRKSA-N 1 1 199.338 2.389 10 0 AEAEMO C[C@H](C[N@@H+](C)[C@H]1CCOC1)C(C)(C)C 670263736 486738650 /nfs/dbraw/zinc/73/86/50/486738650.db2.gz SSTPVPYPIUKOMV-MNOVXSKESA-N 1 1 199.338 2.389 10 0 AEAEMO C[C@H](C[N@@H+](C)[C@@H]1CCOC1)C(C)(C)C 670263735 486738813 /nfs/dbraw/zinc/73/88/13/486738813.db2.gz SSTPVPYPIUKOMV-GHMZBOCLSA-N 1 1 199.338 2.389 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCOCC12CC2 670273175 486739496 /nfs/dbraw/zinc/73/94/96/486739496.db2.gz LOSKMKJMQQNAGE-NSHDSACASA-N 1 1 197.322 2.287 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCOCC12CC2 670273174 486739696 /nfs/dbraw/zinc/73/96/96/486739696.db2.gz LOSKMKJMQQNAGE-LLVKDONJSA-N 1 1 197.322 2.287 10 0 AEAEMO CC(C)[NH2+]CC1(CN(C)C)CCCC1 51214393 486740030 /nfs/dbraw/zinc/74/00/30/486740030.db2.gz FZHRHEMNDSFSLT-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)C[N@@H+](CCC)CCO 51323828 486740053 /nfs/dbraw/zinc/74/00/53/486740053.db2.gz NZGKWYUXDBROAB-NSHDSACASA-N 1 1 187.327 2.127 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCC[C@H](CO)C1 51323802 486740185 /nfs/dbraw/zinc/74/01/85/486740185.db2.gz NFBKCOYBQSSHMG-NEPJUHHUSA-N 1 1 199.338 2.127 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCC[C@H](CO)C1 51323804 486740516 /nfs/dbraw/zinc/74/05/16/486740516.db2.gz NFBKCOYBQSSHMG-RYUDHWBXSA-N 1 1 199.338 2.127 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](CCC)CCO 51323826 486740648 /nfs/dbraw/zinc/74/06/48/486740648.db2.gz NZGKWYUXDBROAB-LLVKDONJSA-N 1 1 187.327 2.127 10 0 AEAEMO CC[C@H](C)C[N@H+]1Cc2cccnc2C1 670984303 486741218 /nfs/dbraw/zinc/74/12/18/486741218.db2.gz UHMRCCVWHNGKJA-JTQLQIEISA-N 1 1 190.290 2.443 10 0 AEAEMO COCC[N@@H+](C)[C@H]1C=CCCCCC1 670990595 486741243 /nfs/dbraw/zinc/74/12/43/486741243.db2.gz FYRBXIUXXAIMOU-LBPRGKRZSA-N 1 1 197.322 2.454 10 0 AEAEMO CC(C)CC[N@H+]1Cc2cccnc2C1 670984216 486741407 /nfs/dbraw/zinc/74/14/07/486741407.db2.gz PGKDGNZDVWACQB-UHFFFAOYSA-N 1 1 190.290 2.443 10 0 AEAEMO CC[C@@H](C)C[N@H+]1Cc2cccnc2C1 670984304 486741863 /nfs/dbraw/zinc/74/18/63/486741863.db2.gz UHMRCCVWHNGKJA-SNVBAGLBSA-N 1 1 190.290 2.443 10 0 AEAEMO CC(C)[N@@H+](C[C@@H](O)C(C)(C)C)C1CC1 670990769 486741880 /nfs/dbraw/zinc/74/18/80/486741880.db2.gz VWAANUJEPLFQIG-LLVKDONJSA-N 1 1 199.338 2.266 10 0 AEAEMO C[N@H+](Cc1cc[nH]n1)CC1CCCC1 670990704 486741939 /nfs/dbraw/zinc/74/19/39/486741939.db2.gz GLHPWJIFADNPPH-UHFFFAOYSA-N 1 1 193.294 2.032 10 0 AEAEMO COCC[N@@H+](C)[C@@H]1C=CCCCCC1 670990594 486741982 /nfs/dbraw/zinc/74/19/82/486741982.db2.gz FYRBXIUXXAIMOU-GFCCVEGCSA-N 1 1 197.322 2.454 10 0 AEAEMO CC(C)[N@@H+](C[C@H](O)C(C)(C)C)C1CC1 670990770 486743559 /nfs/dbraw/zinc/74/35/59/486743559.db2.gz VWAANUJEPLFQIG-NSHDSACASA-N 1 1 199.338 2.266 10 0 AEAEMO C[C@H]1C[C@H]1Nc1[nH]c2ccccc2[nH+]1 52291579 486744700 /nfs/dbraw/zinc/74/47/00/486744700.db2.gz PODUUQXXTVQHOB-OIBJUYFYSA-N 1 1 187.246 2.383 10 0 AEAEMO C[C@@H]1C[C@@H]1Nc1[nH]c2ccccc2[nH+]1 52291569 486744824 /nfs/dbraw/zinc/74/48/24/486744824.db2.gz PODUUQXXTVQHOB-XCBNKYQSSA-N 1 1 187.246 2.383 10 0 AEAEMO C[C@@H]1C[C@H]1Nc1[nH]c2ccccc2[nH+]1 52291574 486744930 /nfs/dbraw/zinc/74/49/30/486744930.db2.gz PODUUQXXTVQHOB-GMSGAONNSA-N 1 1 187.246 2.383 10 0 AEAEMO C[C@H]1C[C@@H]1Nc1[nH]c2ccccc2[nH+]1 52291571 486744908 /nfs/dbraw/zinc/74/49/08/486744908.db2.gz PODUUQXXTVQHOB-XVKPBYJWSA-N 1 1 187.246 2.383 10 0 AEAEMO OCC[C@H]1CCCCC[N@H+]1CC1CC1 671246133 486745267 /nfs/dbraw/zinc/74/52/67/486745267.db2.gz DXESRJMUHRGIIP-GFCCVEGCSA-N 1 1 197.322 2.023 10 0 AEAEMO OCC[C@@H]1CCCCC[N@H+]1CC1CC1 671246134 486745417 /nfs/dbraw/zinc/74/54/17/486745417.db2.gz DXESRJMUHRGIIP-LBPRGKRZSA-N 1 1 197.322 2.023 10 0 AEAEMO CC(C)C[N@H+]1CCCCC[C@@H]1CCO 671246374 486745633 /nfs/dbraw/zinc/74/56/33/486745633.db2.gz ICLJUFHZXNQBMW-GFCCVEGCSA-N 1 1 199.338 2.269 10 0 AEAEMO CCCC[N@H+]1CCCCC[C@@H]1CCO 671248668 486745952 /nfs/dbraw/zinc/74/59/52/486745952.db2.gz ZZGZNYGPHPYBMZ-GFCCVEGCSA-N 1 1 199.338 2.414 10 0 AEAEMO CCCC[N@H+]1CCCCC[C@H]1CCO 671248669 486745985 /nfs/dbraw/zinc/74/59/85/486745985.db2.gz ZZGZNYGPHPYBMZ-LBPRGKRZSA-N 1 1 199.338 2.414 10 0 AEAEMO CCCC[N@H+]1CC[C@@]2(CCCOC2)C1 671253298 486746088 /nfs/dbraw/zinc/74/60/88/486746088.db2.gz CWBBGCPJASHKAL-LBPRGKRZSA-N 1 1 197.322 2.289 10 0 AEAEMO CC(C)C[N@H+]1CC[C@]2(CCCOC2)C1 671253251 486746115 /nfs/dbraw/zinc/74/61/15/486746115.db2.gz ALWQQCWWLAZABA-GFCCVEGCSA-N 1 1 197.322 2.145 10 0 AEAEMO CC(C)C[N@H+]1CCCCC[C@H]1CCO 671246375 486746189 /nfs/dbraw/zinc/74/61/89/486746189.db2.gz ICLJUFHZXNQBMW-LBPRGKRZSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@H](C)[N@H+]1CC[C@@]2(CCCOC2)C1 671254222 486746348 /nfs/dbraw/zinc/74/63/48/486746348.db2.gz VBQZMNVBDQTJRO-NEPJUHHUSA-N 1 1 197.322 2.287 10 0 AEAEMO CC[C@@H](C)[N@H+]1CC[C@]2(CCCOC2)C1 671254231 486746397 /nfs/dbraw/zinc/74/63/97/486746397.db2.gz VBQZMNVBDQTJRO-VXGBXAGGSA-N 1 1 197.322 2.287 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@]2(CCCOC2)C1 671254223 486746470 /nfs/dbraw/zinc/74/64/70/486746470.db2.gz VBQZMNVBDQTJRO-NWDGAFQWSA-N 1 1 197.322 2.287 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCC[C@@H]1CCCO 52762670 486746680 /nfs/dbraw/zinc/74/66/80/486746680.db2.gz DXIUZGDMWCRSOS-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)C[N@H+]1CC[C@@]2(CCCOC2)C1 671253252 486746759 /nfs/dbraw/zinc/74/67/59/486746759.db2.gz ALWQQCWWLAZABA-LBPRGKRZSA-N 1 1 197.322 2.145 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CCC[C@@H]1CCCO 52762669 486746784 /nfs/dbraw/zinc/74/67/84/486746784.db2.gz DXIUZGDMWCRSOS-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@@]2(CCCOC2)C1 671254230 486746820 /nfs/dbraw/zinc/74/68/20/486746820.db2.gz VBQZMNVBDQTJRO-RYUDHWBXSA-N 1 1 197.322 2.287 10 0 AEAEMO CCCC[N@H+]1CC[C@]2(CCCOC2)C1 671253296 486746868 /nfs/dbraw/zinc/74/68/68/486746868.db2.gz CWBBGCPJASHKAL-GFCCVEGCSA-N 1 1 197.322 2.289 10 0 AEAEMO CCOC1CC(C[N@@H+](C)CC2CC2)C1 671677863 486751991 /nfs/dbraw/zinc/75/19/91/486751991.db2.gz ULPPFMXBRDNPJI-UHFFFAOYSA-N 1 1 197.322 2.143 10 0 AEAEMO CC(C)C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O 53882917 486752177 /nfs/dbraw/zinc/75/21/77/486752177.db2.gz JXAYPUMEQMGFKQ-RYUDHWBXSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](C)[N@@H+](C)C[C@@H]1CCCC[C@@H]1O 53882604 486752189 /nfs/dbraw/zinc/75/21/89/486752189.db2.gz TVOJTPFTRMUTOU-SRVKXCTJSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)C[N@@H+](C)C[C@H]1CCCC[C@@H]1O 53882918 486752329 /nfs/dbraw/zinc/75/23/29/486752329.db2.gz JXAYPUMEQMGFKQ-NEPJUHHUSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)CN1CCC[C@@H]1C[NH2+]C(C)C 53648903 486752362 /nfs/dbraw/zinc/75/23/62/486752362.db2.gz FLEQJKKBXFHRRF-GFCCVEGCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCOC1CC(C[N@H+]2[C@@H](C)C[C@H]2C)C1 671692536 486752768 /nfs/dbraw/zinc/75/27/68/486752768.db2.gz IISHCINXTNHCPC-ZYANWLCNSA-N 1 1 197.322 2.284 10 0 AEAEMO CO[C@H]1C[C@@H]([N@@H+](C)[C@@H]2C=CCCC2)C1 671704983 486752831 /nfs/dbraw/zinc/75/28/31/486752831.db2.gz MSLJVORDNOOWAF-UTUOFQBUSA-N 1 1 195.306 2.204 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)C[C@@H]1CCC[C@@H]1O 53883842 486752930 /nfs/dbraw/zinc/75/29/30/486752930.db2.gz DJNXOJGFLLAOER-SRVKXCTJSA-N 1 1 199.338 2.268 10 0 AEAEMO CC/C=C/CC[N@@H+](C)[C@H]1C[C@@H](OC)C1 671705027 486752969 /nfs/dbraw/zinc/75/29/69/486752969.db2.gz GCSABJWIBKBTIX-MTJJXUSZSA-N 1 1 197.322 2.452 10 0 AEAEMO CC/C=C\CC[N@@H+](C)[C@H]1C[C@@H](OC)C1 671705026 486753036 /nfs/dbraw/zinc/75/30/36/486753036.db2.gz GCSABJWIBKBTIX-DLXAAPBESA-N 1 1 197.322 2.452 10 0 AEAEMO CO[C@H]1C[C@@H]([N@@H+](C)[C@H]2C=CCCC2)C1 671704982 486753188 /nfs/dbraw/zinc/75/31/88/486753188.db2.gz MSLJVORDNOOWAF-SDDRHHMPSA-N 1 1 195.306 2.204 10 0 AEAEMO CO[C@H]1C[C@@H]([N@@H+](C)CC2CCCC2)C1 671704930 486753520 /nfs/dbraw/zinc/75/35/20/486753520.db2.gz DSQKYHOHTDZUOT-TXEJJXNPSA-N 1 1 197.322 2.286 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)C[C@@H]1CCC[C@@H]1O 53883578 486753574 /nfs/dbraw/zinc/75/35/74/486753574.db2.gz LPCQDPADAUKFJH-SRVKXCTJSA-N 1 1 199.338 2.124 10 0 AEAEMO CC(C)CCC[N@H+]1CCC(=O)[C@@H](C)C1 62097807 486766202 /nfs/dbraw/zinc/76/62/02/486766202.db2.gz ITNXKVOLBHFKDF-NSHDSACASA-N 1 1 197.322 2.334 10 0 AEAEMO CC(C)CCC[N@H+]1CCC(=O)[C@H](C)C1 62097806 486766679 /nfs/dbraw/zinc/76/66/79/486766679.db2.gz ITNXKVOLBHFKDF-LLVKDONJSA-N 1 1 197.322 2.334 10 0 AEAEMO CC(C)C[C@H](N)C[N@@H+]1CCCC1(C)C 63073479 486768405 /nfs/dbraw/zinc/76/84/05/486768405.db2.gz POYFJBZTQXDCJA-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@H](N)C[N@H+]1CCCC1(C)C 63073479 486768407 /nfs/dbraw/zinc/76/84/07/486768407.db2.gz POYFJBZTQXDCJA-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H](O)CCC[N@H+]1CCCC1(C)C 63072377 486768460 /nfs/dbraw/zinc/76/84/60/486768460.db2.gz QRHRWQNAKNITDK-SNVBAGLBSA-N 1 1 185.311 2.022 10 0 AEAEMO CC(C)C[C@@H](N)C[N@@H+]1CCCC1(C)C 63073480 486768482 /nfs/dbraw/zinc/76/84/82/486768482.db2.gz POYFJBZTQXDCJA-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@@H](N)C[N@H+]1CCCC1(C)C 63073480 486768487 /nfs/dbraw/zinc/76/84/87/486768487.db2.gz POYFJBZTQXDCJA-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC1(C)CCC[N@H+]1CCOC1CCC1 672539863 486768832 /nfs/dbraw/zinc/76/88/32/486768832.db2.gz UWPZETPQXVEYHE-UHFFFAOYSA-N 1 1 197.322 2.430 10 0 AEAEMO C[C@H](O)CCC[N@H+]1CCCC1(C)C 63072376 486768899 /nfs/dbraw/zinc/76/88/99/486768899.db2.gz QRHRWQNAKNITDK-JTQLQIEISA-N 1 1 185.311 2.022 10 0 AEAEMO CCOCC[N@@H+](C)Cc1ccc(C)o1 673077640 486771732 /nfs/dbraw/zinc/77/17/32/486771732.db2.gz SLGJTTZSATWCIF-UHFFFAOYSA-N 1 1 197.278 2.056 10 0 AEAEMO CC[N@H+](CC1CC1)C[C@@H](N)CC(C)C 68947679 486771985 /nfs/dbraw/zinc/77/19/85/486771985.db2.gz BYLHZNBYWFPRQP-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CCN(CC1CC1)C[C@@H]([NH3+])CC(C)C 68947679 486771988 /nfs/dbraw/zinc/77/19/88/486771988.db2.gz BYLHZNBYWFPRQP-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@H+](CC1CC1)C[C@H](N)CC(C)C 68947677 486772026 /nfs/dbraw/zinc/77/20/26/486772026.db2.gz BYLHZNBYWFPRQP-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCN(CC1CC1)C[C@H]([NH3+])CC(C)C 68947677 486772031 /nfs/dbraw/zinc/77/20/31/486772031.db2.gz BYLHZNBYWFPRQP-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCOCC[N@@H+](C)Cc1ccsc1 673085494 486772816 /nfs/dbraw/zinc/77/28/16/486772816.db2.gz DYDMBDOHWYTLFE-UHFFFAOYSA-N 1 1 199.319 2.216 10 0 AEAEMO CCCc1[nH+]ccn1COC1CCC1 673446749 486773501 /nfs/dbraw/zinc/77/35/01/486773501.db2.gz IBESMBPFRPJYDB-UHFFFAOYSA-N 1 1 194.278 2.362 10 0 AEAEMO C[C@@H]([NH2+]Cc1c[nH]cn1)C1CCCC1 69804412 486775608 /nfs/dbraw/zinc/77/56/08/486775608.db2.gz AWUQCZNEUQNCMP-SECBINFHSA-N 1 1 193.294 2.078 10 0 AEAEMO C[C@H]([NH2+]Cc1c[nH]cn1)C1CCCC1 69804410 486775974 /nfs/dbraw/zinc/77/59/74/486775974.db2.gz AWUQCZNEUQNCMP-VIFPVBQESA-N 1 1 193.294 2.078 10 0 AEAEMO CCC[N@H+](C)[C@@H]1CCN(CC)C[C@@H]1C 673716615 486776369 /nfs/dbraw/zinc/77/63/69/486776369.db2.gz ZSDFWZSRZQSALI-NWDGAFQWSA-N 1 1 198.354 2.059 10 0 AEAEMO CCC[N@@H+](C)[C@@H]1CCN(CC)C[C@@H]1C 673716615 486776374 /nfs/dbraw/zinc/77/63/74/486776374.db2.gz ZSDFWZSRZQSALI-NWDGAFQWSA-N 1 1 198.354 2.059 10 0 AEAEMO CCC[N@H+](C)[C@H]1CCN(CC)C[C@@H]1C 673716616 486776522 /nfs/dbraw/zinc/77/65/22/486776522.db2.gz ZSDFWZSRZQSALI-RYUDHWBXSA-N 1 1 198.354 2.059 10 0 AEAEMO CCC[N@@H+](C)[C@H]1CCN(CC)C[C@@H]1C 673716616 486776527 /nfs/dbraw/zinc/77/65/27/486776527.db2.gz ZSDFWZSRZQSALI-RYUDHWBXSA-N 1 1 198.354 2.059 10 0 AEAEMO CCC[N@H+](C)[C@H]1CCN(CC)C[C@H]1C 673716613 486776631 /nfs/dbraw/zinc/77/66/31/486776631.db2.gz ZSDFWZSRZQSALI-NEPJUHHUSA-N 1 1 198.354 2.059 10 0 AEAEMO CCC[N@@H+](C)[C@H]1CCN(CC)C[C@H]1C 673716613 486776636 /nfs/dbraw/zinc/77/66/36/486776636.db2.gz ZSDFWZSRZQSALI-NEPJUHHUSA-N 1 1 198.354 2.059 10 0 AEAEMO CCC[N@H+](C)[C@@H]1CCN(CC)C[C@H]1C 673716618 486776684 /nfs/dbraw/zinc/77/66/84/486776684.db2.gz ZSDFWZSRZQSALI-VXGBXAGGSA-N 1 1 198.354 2.059 10 0 AEAEMO CCC[N@@H+](C)[C@@H]1CCN(CC)C[C@H]1C 673716618 486776690 /nfs/dbraw/zinc/77/66/90/486776690.db2.gz ZSDFWZSRZQSALI-VXGBXAGGSA-N 1 1 198.354 2.059 10 0 AEAEMO C[N@@H+](C1CCOCC1)[C@@H]1C=CCCC1 673755284 486778250 /nfs/dbraw/zinc/77/82/50/486778250.db2.gz COYJVWPICGCEHR-LLVKDONJSA-N 1 1 195.306 2.206 10 0 AEAEMO C[N@@H+](C1CCOCC1)[C@H]1C=CCCC1 673755285 486778349 /nfs/dbraw/zinc/77/83/49/486778349.db2.gz COYJVWPICGCEHR-NSHDSACASA-N 1 1 195.306 2.206 10 0 AEAEMO CC(C)C[N@@H+](C)Cc1ccc[nH]1 673857558 486778767 /nfs/dbraw/zinc/77/87/67/486778767.db2.gz XGDLNCOVUVNAOO-UHFFFAOYSA-N 1 1 166.268 2.103 10 0 AEAEMO COCCCn1cc[nH+]c1C(C)C 69950250 486778924 /nfs/dbraw/zinc/77/89/24/486778924.db2.gz FVQOBVYCCXNHOX-UHFFFAOYSA-N 1 1 182.267 2.043 10 0 AEAEMO C[C@H]1CCCCC[N@@H+]1CCC[C@@H](C)O 69945507 486779048 /nfs/dbraw/zinc/77/90/48/486779048.db2.gz VIOGZXXYQWJGGU-NWDGAFQWSA-N 1 1 199.338 2.412 10 0 AEAEMO C[C@@H](O)CCC[N@H+]1CCCCC[C@H]1C 69945505 486779131 /nfs/dbraw/zinc/77/91/31/486779131.db2.gz VIOGZXXYQWJGGU-VXGBXAGGSA-N 1 1 199.338 2.412 10 0 AEAEMO CCOC[C@H]1CC[N@@H+](CC=C(C)C)C1 673914785 486780902 /nfs/dbraw/zinc/78/09/02/486780902.db2.gz BNOBTCUHDNSMMR-LBPRGKRZSA-N 1 1 197.322 2.311 10 0 AEAEMO CCOC[C@@H]1CC[N@@H+](CC=C(C)C)C1 673914784 486780950 /nfs/dbraw/zinc/78/09/50/486780950.db2.gz BNOBTCUHDNSMMR-GFCCVEGCSA-N 1 1 197.322 2.311 10 0 AEAEMO CC(C)C[C@H]1CCCCC[N@H+]1CCO 674005453 486783488 /nfs/dbraw/zinc/78/34/88/486783488.db2.gz HDWBAPQIRNMHOK-GFCCVEGCSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)C[C@@H]1CCCCC[N@H+]1CCO 674005458 486783563 /nfs/dbraw/zinc/78/35/63/486783563.db2.gz HDWBAPQIRNMHOK-LBPRGKRZSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H](C)C[N@@H+](CC)CCCOC 674007016 486785409 /nfs/dbraw/zinc/78/54/09/486785409.db2.gz FDRXNSKRDQHYLQ-NSHDSACASA-N 1 1 187.327 2.391 10 0 AEAEMO CC[C@@H](C)C[N@@H+](CC)CCCOC 674007015 486785518 /nfs/dbraw/zinc/78/55/18/486785518.db2.gz FDRXNSKRDQHYLQ-LLVKDONJSA-N 1 1 187.327 2.391 10 0 AEAEMO COC[C@H](C)C[N@@H+](C)CC1CCCC1 674012730 486785853 /nfs/dbraw/zinc/78/58/53/486785853.db2.gz YMLMEVMFHMJFRH-LLVKDONJSA-N 1 1 199.338 2.391 10 0 AEAEMO CCC(C)(C)CC[N@H+]1CC[C@@](C)(O)C1 674012188 486786260 /nfs/dbraw/zinc/78/62/60/486786260.db2.gz XZJQKEKZYVDLLW-GFCCVEGCSA-N 1 1 199.338 2.269 10 0 AEAEMO COC[C@H](C)C[N@@H+](C)CCC1CC1 674011444 486786277 /nfs/dbraw/zinc/78/62/77/486786277.db2.gz IKAXWUVOFXNDBD-SNVBAGLBSA-N 1 1 185.311 2.001 10 0 AEAEMO CCC(C)(C)CC[N@H+]1CC[C@](C)(O)C1 674012189 486786466 /nfs/dbraw/zinc/78/64/66/486786466.db2.gz XZJQKEKZYVDLLW-LBPRGKRZSA-N 1 1 199.338 2.269 10 0 AEAEMO COC[C@@H](C)C[N@@H+](C)CCC1CC1 674011440 486786517 /nfs/dbraw/zinc/78/65/17/486786517.db2.gz IKAXWUVOFXNDBD-JTQLQIEISA-N 1 1 185.311 2.001 10 0 AEAEMO COC[C@@H](C)C[N@@H+](C)CC1CCCC1 674012731 486786598 /nfs/dbraw/zinc/78/65/98/486786598.db2.gz YMLMEVMFHMJFRH-NSHDSACASA-N 1 1 199.338 2.391 10 0 AEAEMO C[N@@H+](CCC(C)(C)C)C[C@@H]1CCOC1 674231538 486788626 /nfs/dbraw/zinc/78/86/26/486788626.db2.gz CVODKXKYFFODOS-NSHDSACASA-N 1 1 199.338 2.391 10 0 AEAEMO C[N@@H+](CCC(C)(C)C)C[C@H]1CCOC1 674231537 486788779 /nfs/dbraw/zinc/78/87/79/486788779.db2.gz CVODKXKYFFODOS-LLVKDONJSA-N 1 1 199.338 2.391 10 0 AEAEMO CCCCC[N@@H+](C)Cc1cnccn1 674251791 486789796 /nfs/dbraw/zinc/78/97/96/486789796.db2.gz RDXKGXNBAWVELQ-UHFFFAOYSA-N 1 1 193.294 2.099 10 0 AEAEMO Cc1[nH+]ccn1CCC(F)(F)F 70916664 486796745 /nfs/dbraw/zinc/79/67/45/486796745.db2.gz GLSXDBYARGJNLO-UHFFFAOYSA-N 1 1 178.157 2.144 10 0 AEAEMO CCOCCC[N@@H+]1C[C@@H](C)[C@@H](C)C1 674458411 486799612 /nfs/dbraw/zinc/79/96/12/486799612.db2.gz FLORWXIOWZMOCJ-PHIMTYICSA-N 1 1 185.311 2.001 10 0 AEAEMO CC(C)C[N@H+]1CC[C@@H](C)[C@@H]1C 674464836 486800510 /nfs/dbraw/zinc/80/05/10/486800510.db2.gz BYUAPXQQNRWNDA-ZJUUUORDSA-N 1 1 155.285 2.373 10 0 AEAEMO CC(C)C[N@H+]1CC[C@H](C)[C@H]1C 674464835 486800638 /nfs/dbraw/zinc/80/06/38/486800638.db2.gz BYUAPXQQNRWNDA-VHSXEESVSA-N 1 1 155.285 2.373 10 0 AEAEMO CC(C)C[N@H+]1CC[C@@H](C)[C@H]1C 674464832 486800669 /nfs/dbraw/zinc/80/06/69/486800669.db2.gz BYUAPXQQNRWNDA-NXEZZACHSA-N 1 1 155.285 2.373 10 0 AEAEMO CC(C)C[N@H+]1CC[C@H](C)[C@@H]1C 674464834 486800933 /nfs/dbraw/zinc/80/09/33/486800933.db2.gz BYUAPXQQNRWNDA-UWVGGRQHSA-N 1 1 155.285 2.373 10 0 AEAEMO C[C@H]1CC[N@@H+](CCOCC2CC2)[C@@H]1C 674465253 486801398 /nfs/dbraw/zinc/80/13/98/486801398.db2.gz GZBSAEAKSZSXEM-WDEREUQCSA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@@H]1CC[N@@H+](CCOCC2CC2)[C@@H]1C 674465250 486801517 /nfs/dbraw/zinc/80/15/17/486801517.db2.gz GZBSAEAKSZSXEM-GHMZBOCLSA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@H]1[C@H](C)CC[N@H+]1CCOCC1CC1 674465251 486801630 /nfs/dbraw/zinc/80/16/30/486801630.db2.gz GZBSAEAKSZSXEM-MNOVXSKESA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@H]1CC[N@@H+](CCOCC2CC2)[C@H]1C 674465252 486801703 /nfs/dbraw/zinc/80/17/03/486801703.db2.gz GZBSAEAKSZSXEM-QWRGUYRKSA-N 1 1 197.322 2.143 10 0 AEAEMO COCCC[N@@H+](C)[C@H](C)C1(C)CC1 674506255 486803675 /nfs/dbraw/zinc/80/36/75/486803675.db2.gz DMIWFNDSRBKZKY-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO COCCC[N@@H+](C)[C@@H](C)C1(C)CC1 674506254 486804161 /nfs/dbraw/zinc/80/41/61/486804161.db2.gz DMIWFNDSRBKZKY-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C[C@H](C)O)C(C)C 674863719 486816135 /nfs/dbraw/zinc/81/61/35/486816135.db2.gz PAUVHAHHFLZUHB-MNOVXSKESA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@H](C)C[N@@H+](C[C@@H](C)O)C(C)C 674863721 486816564 /nfs/dbraw/zinc/81/65/64/486816564.db2.gz PAUVHAHHFLZUHB-WDEREUQCSA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@H](C)C[N@@H+](C[C@H](C)O)C(C)C 674863720 486816696 /nfs/dbraw/zinc/81/66/96/486816696.db2.gz PAUVHAHHFLZUHB-QWRGUYRKSA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C[C@@H](C)O)C(C)C 674863718 486816887 /nfs/dbraw/zinc/81/68/87/486816887.db2.gz PAUVHAHHFLZUHB-GHMZBOCLSA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CCC[C@H](COC)C1 674864922 486817378 /nfs/dbraw/zinc/81/73/78/486817378.db2.gz CMFFZJCSFKBTIB-NEPJUHHUSA-N 1 1 199.338 2.391 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCC[C@@H](COC)C1 674864925 486817847 /nfs/dbraw/zinc/81/78/47/486817847.db2.gz CMFFZJCSFKBTIB-NWDGAFQWSA-N 1 1 199.338 2.391 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)Cc1ccc[nH]1 674866139 486817991 /nfs/dbraw/zinc/81/79/91/486817991.db2.gz ANGIZYZVPMWHQQ-SNVBAGLBSA-N 1 1 180.295 2.493 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)Cc1ccc[nH]1 674866138 486818039 /nfs/dbraw/zinc/81/80/39/486818039.db2.gz ANGIZYZVPMWHQQ-JTQLQIEISA-N 1 1 180.295 2.493 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CCC[C@@H](COC)C1 674864930 486818059 /nfs/dbraw/zinc/81/80/59/486818059.db2.gz CMFFZJCSFKBTIB-VXGBXAGGSA-N 1 1 199.338 2.391 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCC[C@H](COC)C1 674864928 486818096 /nfs/dbraw/zinc/81/80/96/486818096.db2.gz CMFFZJCSFKBTIB-RYUDHWBXSA-N 1 1 199.338 2.391 10 0 AEAEMO CCC[N@H+]1CC[C@H](C(C)C)C1 674867442 486818526 /nfs/dbraw/zinc/81/85/26/486818526.db2.gz APBGTUXBBGULJN-JTQLQIEISA-N 1 1 155.285 2.374 10 0 AEAEMO COCC[C@H](C)[N@H+]1CC[C@@H](C(C)C)C1 674867624 486818556 /nfs/dbraw/zinc/81/85/56/486818556.db2.gz FGQHXRXIEYDMEJ-NWDGAFQWSA-N 1 1 199.338 2.389 10 0 AEAEMO COCC[C@@H](C)[N@H+]1CC[C@H](C(C)C)C1 674867623 486818647 /nfs/dbraw/zinc/81/86/47/486818647.db2.gz FGQHXRXIEYDMEJ-NEPJUHHUSA-N 1 1 199.338 2.389 10 0 AEAEMO CCOCC[N@H+]1CC[C@H](C(C)C)C1 674867579 486818676 /nfs/dbraw/zinc/81/86/76/486818676.db2.gz DGMAMYCYBQHPJT-NSHDSACASA-N 1 1 185.311 2.001 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)C[C@H](C)COC 674866866 486818690 /nfs/dbraw/zinc/81/86/90/486818690.db2.gz VNTKUFBANKMPRS-MNOVXSKESA-N 1 1 187.327 2.247 10 0 AEAEMO CC[C@H]1CC[N@@H+](CCCCOC)C1 674868163 486818774 /nfs/dbraw/zinc/81/87/74/486818774.db2.gz DHFKOAIPERRANL-NSHDSACASA-N 1 1 185.311 2.145 10 0 AEAEMO CC[C@H]1CC[N@@H+](CCOCC2CC2)C1 674867512 486818818 /nfs/dbraw/zinc/81/88/18/486818818.db2.gz CPSMWMXFDQYXRH-NSHDSACASA-N 1 1 197.322 2.145 10 0 AEAEMO COCCC[N@H+]1CC[C@H](C(C)C)C1 674868239 486818834 /nfs/dbraw/zinc/81/88/34/486818834.db2.gz PBDYYDLYNGUQOP-NSHDSACASA-N 1 1 185.311 2.001 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)C[C@H](C)COC 674866867 486818882 /nfs/dbraw/zinc/81/88/82/486818882.db2.gz VNTKUFBANKMPRS-QWRGUYRKSA-N 1 1 187.327 2.247 10 0 AEAEMO COCCCC[N@H+]1CC[C@H](C(C)C)C1 674867806 486818893 /nfs/dbraw/zinc/81/88/93/486818893.db2.gz JEMZBPCLHMQFBK-LBPRGKRZSA-N 1 1 199.338 2.391 10 0 AEAEMO CC(C)[C@H]1CC[N@@H+](CC2(C)COC2)C1 674867728 486818981 /nfs/dbraw/zinc/81/89/81/486818981.db2.gz HIPSUZMBUNLOJL-NSHDSACASA-N 1 1 197.322 2.001 10 0 AEAEMO CC[C@@H]1CC[N@@H+](CCOCC2CC2)C1 674867511 486819077 /nfs/dbraw/zinc/81/90/77/486819077.db2.gz CPSMWMXFDQYXRH-LLVKDONJSA-N 1 1 197.322 2.145 10 0 AEAEMO CC(C)[C@@H]1CC[N@@H+](CC2(C)COC2)C1 674867727 486819102 /nfs/dbraw/zinc/81/91/02/486819102.db2.gz HIPSUZMBUNLOJL-LLVKDONJSA-N 1 1 197.322 2.001 10 0 AEAEMO COCCCC[N@H+]1CC[C@@H](C(C)C)C1 674867805 486819113 /nfs/dbraw/zinc/81/91/13/486819113.db2.gz JEMZBPCLHMQFBK-GFCCVEGCSA-N 1 1 199.338 2.391 10 0 AEAEMO CC(C)OCC[N@H+]1CC[C@@H](C(C)C)C1 674868065 486819133 /nfs/dbraw/zinc/81/91/33/486819133.db2.gz NBJLOUTYMGRMSA-GFCCVEGCSA-N 1 1 199.338 2.389 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)C[C@@H](C)COC 674866865 486819175 /nfs/dbraw/zinc/81/91/75/486819175.db2.gz VNTKUFBANKMPRS-GHMZBOCLSA-N 1 1 187.327 2.247 10 0 AEAEMO CC(C)OCC[N@H+]1CC[C@H](C(C)C)C1 674868066 486819281 /nfs/dbraw/zinc/81/92/81/486819281.db2.gz NBJLOUTYMGRMSA-LBPRGKRZSA-N 1 1 199.338 2.389 10 0 AEAEMO COCC[C@H](C)[N@H+]1CC[C@H](C(C)C)C1 674867626 486819287 /nfs/dbraw/zinc/81/92/87/486819287.db2.gz FGQHXRXIEYDMEJ-RYUDHWBXSA-N 1 1 199.338 2.389 10 0 AEAEMO COCC[C@@H](C)[N@H+]1CC[C@@H](C(C)C)C1 674867627 486819333 /nfs/dbraw/zinc/81/93/33/486819333.db2.gz FGQHXRXIEYDMEJ-VXGBXAGGSA-N 1 1 199.338 2.389 10 0 AEAEMO CCOCC[N@H+]1CC[C@@H](C(C)C)C1 674867577 486819343 /nfs/dbraw/zinc/81/93/43/486819343.db2.gz DGMAMYCYBQHPJT-LLVKDONJSA-N 1 1 185.311 2.001 10 0 AEAEMO CC[C@@H]1CC[N@@H+](CCCCOC)C1 674868162 486819373 /nfs/dbraw/zinc/81/93/73/486819373.db2.gz DHFKOAIPERRANL-LLVKDONJSA-N 1 1 185.311 2.145 10 0 AEAEMO COCCC[N@H+]1CC[C@@H](C(C)C)C1 674868238 486819400 /nfs/dbraw/zinc/81/94/00/486819400.db2.gz PBDYYDLYNGUQOP-LLVKDONJSA-N 1 1 185.311 2.001 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)C[C@@H](C)COC 674866868 486819494 /nfs/dbraw/zinc/81/94/94/486819494.db2.gz VNTKUFBANKMPRS-WDEREUQCSA-N 1 1 187.327 2.247 10 0 AEAEMO CC(C)=CC[N@@H+](C)CCOCC1CC1 674872977 486819998 /nfs/dbraw/zinc/81/99/98/486819998.db2.gz HIANLAYSWGFZSC-UHFFFAOYSA-N 1 1 197.322 2.311 10 0 AEAEMO CC[C@H](C)C[NH+]1CCC(N(C)C)CC1 674873214 486820089 /nfs/dbraw/zinc/82/00/89/486820089.db2.gz NXWRVPCDDZSRQK-NSHDSACASA-N 1 1 198.354 2.059 10 0 AEAEMO CCOCCC[N@H+]1CC[C@H](C(C)C)C1 674868577 486820472 /nfs/dbraw/zinc/82/04/72/486820472.db2.gz VFBZSECFTRRMRW-LBPRGKRZSA-N 1 1 199.338 2.391 10 0 AEAEMO CC[C@@H](C)C[NH+]1CCC(N(C)C)CC1 674873212 486820496 /nfs/dbraw/zinc/82/04/96/486820496.db2.gz NXWRVPCDDZSRQK-LLVKDONJSA-N 1 1 198.354 2.059 10 0 AEAEMO CCOCCC[N@H+]1CC[C@@H](C(C)C)C1 674868576 486820587 /nfs/dbraw/zinc/82/05/87/486820587.db2.gz VFBZSECFTRRMRW-GFCCVEGCSA-N 1 1 199.338 2.391 10 0 AEAEMO Cc1csc(C[N@@H+](C)CC2CC2)n1 674873706 486820928 /nfs/dbraw/zinc/82/09/28/486820928.db2.gz ZQDLNVHFGLKMHJ-UHFFFAOYSA-N 1 1 196.319 2.293 10 0 AEAEMO CCCCC[N@H+]1CC[C@@]2(CCOC2)C1 674911216 486821690 /nfs/dbraw/zinc/82/16/90/486821690.db2.gz HYCXKHZGHLDQBK-GFCCVEGCSA-N 1 1 197.322 2.289 10 0 AEAEMO CCCCC[N@H+]1CC[C@]2(CCOC2)C1 674911222 486821774 /nfs/dbraw/zinc/82/17/74/486821774.db2.gz HYCXKHZGHLDQBK-LBPRGKRZSA-N 1 1 197.322 2.289 10 0 AEAEMO CC(C)C[C@H](N)C[NH2+]C1(C)CCCC1 82785895 486826017 /nfs/dbraw/zinc/82/60/17/486826017.db2.gz ADOVDEDPBQLICU-NSHDSACASA-N 1 1 198.354 2.282 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)CC1(O)CCC1 675068214 486826146 /nfs/dbraw/zinc/82/61/46/486826146.db2.gz DFWFGVBXQXWQQC-JTQLQIEISA-N 1 1 185.311 2.022 10 0 AEAEMO CCCC[N@@H+](CC)CC1(O)CCC1 675065240 486826432 /nfs/dbraw/zinc/82/64/32/486826432.db2.gz AMKMKJCOYSIWEC-UHFFFAOYSA-N 1 1 185.311 2.023 10 0 AEAEMO CC(C)C[C@@H](N)C[NH2+]C1(C)CCCC1 82785896 486826446 /nfs/dbraw/zinc/82/64/46/486826446.db2.gz ADOVDEDPBQLICU-LLVKDONJSA-N 1 1 198.354 2.282 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)CC1(O)CCC1 675068215 486826686 /nfs/dbraw/zinc/82/66/86/486826686.db2.gz DFWFGVBXQXWQQC-SNVBAGLBSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[C@@H]1CCC[N@@H+](CC(C)(C)O)C1 675125496 486827695 /nfs/dbraw/zinc/82/76/95/486827695.db2.gz LZBYNXAFPHAYQP-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@H]1CCC[N@@H+](CC(C)(C)O)C1 675125497 486828030 /nfs/dbraw/zinc/82/80/30/486828030.db2.gz LZBYNXAFPHAYQP-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO COCCCC[N@H+]1[C@@H](C)CC[C@H]1C 675126627 486828193 /nfs/dbraw/zinc/82/81/93/486828193.db2.gz FEEXAHZDJDJDLV-PHIMTYICSA-N 1 1 185.311 2.286 10 0 AEAEMO CCC[N@@H+](C)Cc1c(CC)noc1C 675123615 486828349 /nfs/dbraw/zinc/82/83/49/486828349.db2.gz CIZDMGNWVCZAOW-UHFFFAOYSA-N 1 1 196.294 2.387 10 0 AEAEMO CCC[C@H](C)C[N@H+]1C[C@H](C)NC[C@@H]1C 82934764 486829568 /nfs/dbraw/zinc/82/95/68/486829568.db2.gz HJVKODGTCBJIIQ-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)CN1C[C@H](C)[NH2+]C[C@@H]1C 82934764 486829570 /nfs/dbraw/zinc/82/95/70/486829570.db2.gz HJVKODGTCBJIIQ-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@]1(C)CC[N@@H+](CCCOC)C1 675185655 486830193 /nfs/dbraw/zinc/83/01/93/486830193.db2.gz GSSQFWIXHRKKRT-LLVKDONJSA-N 1 1 185.311 2.145 10 0 AEAEMO CC[C@@]1(C)CC[N@@H+](CCCOC)C1 675185656 486830436 /nfs/dbraw/zinc/83/04/36/486830436.db2.gz GSSQFWIXHRKKRT-NSHDSACASA-N 1 1 185.311 2.145 10 0 AEAEMO CC(=O)C[N@H+]1CCCC(C)(C)CC1 83680759 486840119 /nfs/dbraw/zinc/84/01/19/486840119.db2.gz BYGGJYNEZHQSGB-UHFFFAOYSA-N 1 1 183.295 2.088 10 0 AEAEMO CCCN(C)c1nc(C)[nH+]c(C)c1C 675548036 486843661 /nfs/dbraw/zinc/84/36/61/486843661.db2.gz AGZNPKQUUDRMJL-UHFFFAOYSA-N 1 1 193.294 2.248 10 0 AEAEMO Cc1ccc(C[N@@H+](C)CC2CC2)o1 675638432 486845017 /nfs/dbraw/zinc/84/50/17/486845017.db2.gz BHUQDQOSDKXCQF-UHFFFAOYSA-N 1 1 179.263 2.430 10 0 AEAEMO COC1CCC([N@@H+](C)CC2CC2)CC1 675639882 486845582 /nfs/dbraw/zinc/84/55/82/486845582.db2.gz IDBHJQLVHIZKIU-UHFFFAOYSA-N 1 1 197.322 2.286 10 0 AEAEMO CO[C@@H](C)C[N@@H+](CC1CC1)C(C)C 675639211 486845675 /nfs/dbraw/zinc/84/56/75/486845675.db2.gz FGGBHAOLIJXUQU-JTQLQIEISA-N 1 1 185.311 2.142 10 0 AEAEMO CO[C@H](C)C[N@@H+](CC1CC1)C(C)C 675639212 486845890 /nfs/dbraw/zinc/84/58/90/486845890.db2.gz FGGBHAOLIJXUQU-SNVBAGLBSA-N 1 1 185.311 2.142 10 0 AEAEMO CCOC[C@@H]1CCC[N@@H+](CC2CC2)C1 675639133 486846038 /nfs/dbraw/zinc/84/60/38/486846038.db2.gz CQKKDHQXKLNGHC-GFCCVEGCSA-N 1 1 197.322 2.145 10 0 AEAEMO CCOC[C@H]1CCC[N@@H+](CC2CC2)C1 675639135 486846297 /nfs/dbraw/zinc/84/62/97/486846297.db2.gz CQKKDHQXKLNGHC-LBPRGKRZSA-N 1 1 197.322 2.145 10 0 AEAEMO CC(C)[C@H]1CC[N@@H+](CC2CC2)C1 675640113 486846890 /nfs/dbraw/zinc/84/68/90/486846890.db2.gz PGDLMTYBYADAGK-NSHDSACASA-N 1 1 167.296 2.374 10 0 AEAEMO CC(C)[C@@H]1CC[N@@H+](CC2CC2)C1 675640112 486847263 /nfs/dbraw/zinc/84/72/63/486847263.db2.gz PGDLMTYBYADAGK-LLVKDONJSA-N 1 1 167.296 2.374 10 0 AEAEMO C[N@@H+](CCC1CCOCC1)CC1CC1 675640203 486847640 /nfs/dbraw/zinc/84/76/40/486847640.db2.gz SFUYPRIUHUMLPQ-UHFFFAOYSA-N 1 1 197.322 2.145 10 0 AEAEMO CC(C)C[N@H+]1CCOC(C)(C)[C@H]1C 675640568 486848240 /nfs/dbraw/zinc/84/82/40/486848240.db2.gz FLUCTFJDOFLQHF-SNVBAGLBSA-N 1 1 185.311 2.142 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)CC1CC1 675646231 486848281 /nfs/dbraw/zinc/84/82/81/486848281.db2.gz UTARQEZOHURCGO-MRVPVSSYSA-N 1 1 141.258 2.127 10 0 AEAEMO CC[C@H](C)[N@@H+](C)CC1CC1 675646232 486848296 /nfs/dbraw/zinc/84/82/96/486848296.db2.gz UTARQEZOHURCGO-QMMMGPOBSA-N 1 1 141.258 2.127 10 0 AEAEMO CC(C)C[N@H+]1CCOC(C)(C)[C@@H]1C 675640567 486848307 /nfs/dbraw/zinc/84/83/07/486848307.db2.gz FLUCTFJDOFLQHF-JTQLQIEISA-N 1 1 185.311 2.142 10 0 AEAEMO CC[N@H+]1CCOC2(CCCCCC2)C1 675641571 486848857 /nfs/dbraw/zinc/84/88/57/486848857.db2.gz GCSDVSAUCDUNLX-UHFFFAOYSA-N 1 1 197.322 2.432 10 0 AEAEMO CC(C)=CC[N@H+](C)Cc1cccnc1 675840483 486850521 /nfs/dbraw/zinc/85/05/21/486850521.db2.gz FDXRHRMYOGUYRP-UHFFFAOYSA-N 1 1 190.290 2.480 10 0 AEAEMO C[C@@H]1OCC[N@H+]([C@H]2C=CCCC2)[C@@H]1C 675896980 486851981 /nfs/dbraw/zinc/85/19/81/486851981.db2.gz AUWUAGVTTHSZBX-WOPDTQHZSA-N 1 1 195.306 2.204 10 0 AEAEMO CC[N@@H+](CCCF)Cc1ccccn1 675892607 486852004 /nfs/dbraw/zinc/85/20/04/486852004.db2.gz HWQXLAFBWFTOBA-UHFFFAOYSA-N 1 1 196.269 2.263 10 0 AEAEMO FCCC[N@H+]1CC[C@H](c2ccco2)C1 675889419 486852076 /nfs/dbraw/zinc/85/20/76/486852076.db2.gz AFLAEROKIUCTMH-JTQLQIEISA-N 1 1 197.253 2.429 10 0 AEAEMO C[C@@H]1OCC[N@H+]([C@H]2C=CCCC2)[C@H]1C 675896979 486852294 /nfs/dbraw/zinc/85/22/94/486852294.db2.gz AUWUAGVTTHSZBX-SRVKXCTJSA-N 1 1 195.306 2.204 10 0 AEAEMO FCCC[N@H+]1CC[C@@H](c2ccco2)C1 675889420 486852309 /nfs/dbraw/zinc/85/23/09/486852309.db2.gz AFLAEROKIUCTMH-SNVBAGLBSA-N 1 1 197.253 2.429 10 0 AEAEMO CCC[C@H](O)C[N@H+]1C[C@H](C)CC[C@@H]1C 84052241 486852446 /nfs/dbraw/zinc/85/24/46/486852446.db2.gz LXOVGNWHWGBZNZ-WOPDTQHZSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H]1OCC[N@H+]([C@@H]2C=CCCC2)[C@H]1C 675896978 486852582 /nfs/dbraw/zinc/85/25/82/486852582.db2.gz AUWUAGVTTHSZBX-SDDRHHMPSA-N 1 1 195.306 2.204 10 0 AEAEMO C[C@@H]1OCC[N@H+]([C@@H]2C=CCCC2)[C@@H]1C 675896977 486852736 /nfs/dbraw/zinc/85/27/36/486852736.db2.gz AUWUAGVTTHSZBX-GRYCIOLGSA-N 1 1 195.306 2.204 10 0 AEAEMO Cc1cccc(C[N@@H+](C)CCCF)n1 675965198 486853434 /nfs/dbraw/zinc/85/34/34/486853434.db2.gz BQBQHZSLEDPOGU-UHFFFAOYSA-N 1 1 196.269 2.181 10 0 AEAEMO CCC[N@@H+](C)CCN1CCC(C)CC1 676085251 486856295 /nfs/dbraw/zinc/85/62/95/486856295.db2.gz LAWCSNVATXWDDC-UHFFFAOYSA-N 1 1 198.354 2.060 10 0 AEAEMO CCCN(C)CC[NH+]1CCC(C)CC1 676085251 486856301 /nfs/dbraw/zinc/85/63/01/486856301.db2.gz LAWCSNVATXWDDC-UHFFFAOYSA-N 1 1 198.354 2.060 10 0 AEAEMO CCCC[N@H+](C)CC[C@H]1CCCN1C 676222241 486858465 /nfs/dbraw/zinc/85/84/65/486858465.db2.gz HPZKCLOKHWICLG-GFCCVEGCSA-N 1 1 198.354 2.203 10 0 AEAEMO CCCC[N@@H+](C)CC[C@H]1CCCN1C 676222241 486858469 /nfs/dbraw/zinc/85/84/69/486858469.db2.gz HPZKCLOKHWICLG-GFCCVEGCSA-N 1 1 198.354 2.203 10 0 AEAEMO CCCC[N@H+](C)CC[C@@H]1CCCN1C 676222242 486858670 /nfs/dbraw/zinc/85/86/70/486858670.db2.gz HPZKCLOKHWICLG-LBPRGKRZSA-N 1 1 198.354 2.203 10 0 AEAEMO CCCC[N@@H+](C)CC[C@@H]1CCCN1C 676222242 486858676 /nfs/dbraw/zinc/85/86/76/486858676.db2.gz HPZKCLOKHWICLG-LBPRGKRZSA-N 1 1 198.354 2.203 10 0 AEAEMO Cc1ccncc1C[N@@H+](C)CC1CC1 676557515 486864232 /nfs/dbraw/zinc/86/42/32/486864232.db2.gz WCJCNJYLLYTNRF-UHFFFAOYSA-N 1 1 190.290 2.232 10 0 AEAEMO Cc1ccc(C[N@@H+](C)CC2CC2)nc1 676556971 486864366 /nfs/dbraw/zinc/86/43/66/486864366.db2.gz CPEGJAGXMDFMRL-UHFFFAOYSA-N 1 1 190.290 2.232 10 0 AEAEMO C[C@@H]1COCCC[N@H+]1[C@H]1C=CCCC1 676711480 486867485 /nfs/dbraw/zinc/86/74/85/486867485.db2.gz COMBCJKRBYCSPU-NEPJUHHUSA-N 1 1 195.306 2.206 10 0 AEAEMO COCCCC[N@@H+](C)CCC1CC1 676716105 486867731 /nfs/dbraw/zinc/86/77/31/486867731.db2.gz FQIJUDGMEUPONP-UHFFFAOYSA-N 1 1 185.311 2.145 10 0 AEAEMO C[C@H]1COCCC[N@H+]1[C@@H]1C=CCCC1 676711481 486867864 /nfs/dbraw/zinc/86/78/64/486867864.db2.gz COMBCJKRBYCSPU-NWDGAFQWSA-N 1 1 195.306 2.206 10 0 AEAEMO C[C@@H]1COCCC[N@H+]1[C@@H]1C=CCCC1 676711483 486868208 /nfs/dbraw/zinc/86/82/08/486868208.db2.gz COMBCJKRBYCSPU-VXGBXAGGSA-N 1 1 195.306 2.206 10 0 AEAEMO CC[N@@H+](C)Cc1cccc(COC)c1 676715086 486868025 /nfs/dbraw/zinc/86/80/25/486868025.db2.gz RXXKJORGHAMEOG-UHFFFAOYSA-N 1 1 193.290 2.285 10 0 AEAEMO C[C@H]1COCCC[N@H+]1[C@H]1C=CCCC1 676711482 486868074 /nfs/dbraw/zinc/86/80/74/486868074.db2.gz COMBCJKRBYCSPU-RYUDHWBXSA-N 1 1 195.306 2.206 10 0 AEAEMO CCCCC[N@H+]1CCOCC12CCC2 676716517 486869182 /nfs/dbraw/zinc/86/91/82/486869182.db2.gz FJAVBSYTKOSYGP-UHFFFAOYSA-N 1 1 197.322 2.432 10 0 AEAEMO CCN1CC[N@@H+](CCC(C)C)C[C@@H]1C 677193917 486880770 /nfs/dbraw/zinc/88/07/70/486880770.db2.gz FDNVMFVWAAGZPP-LBPRGKRZSA-N 1 1 198.354 2.059 10 0 AEAEMO CCN1CC[N@@H+](CCC(C)C)C[C@H]1C 677193916 486880802 /nfs/dbraw/zinc/88/08/02/486880802.db2.gz FDNVMFVWAAGZPP-GFCCVEGCSA-N 1 1 198.354 2.059 10 0 AEAEMO CCC[N@@H+](CC)CCc1nccs1 677189225 486881098 /nfs/dbraw/zinc/88/10/98/486881098.db2.gz LPSMWVSACYYMBV-UHFFFAOYSA-N 1 1 198.335 2.418 10 0 AEAEMO CC[N@@H+](CCc1nccs1)C(C)C 677190081 486881107 /nfs/dbraw/zinc/88/11/07/486881107.db2.gz UQUOKGBYZKEVRR-UHFFFAOYSA-N 1 1 198.335 2.416 10 0 AEAEMO CCC[N@@H+](C)CCc1ncc(C)s1 677267669 486882039 /nfs/dbraw/zinc/88/20/39/486882039.db2.gz IFYHOEXRCIUFEL-UHFFFAOYSA-N 1 1 198.335 2.336 10 0 AEAEMO Cc1cnc(CC[N@H+](C)C(C)C)s1 677267448 486882247 /nfs/dbraw/zinc/88/22/47/486882247.db2.gz FFYSNJKDBPURSL-UHFFFAOYSA-N 1 1 198.335 2.334 10 0 AEAEMO CCCC[C@H](CC)CN[C@@H]1CC[NH2+]C1 86725176 486884056 /nfs/dbraw/zinc/88/40/56/486884056.db2.gz MIKXRGSNICIDGI-NWDGAFQWSA-N 1 1 198.354 2.154 10 0 AEAEMO CCCC[C@@H](CC)CN[C@@H]1CC[NH2+]C1 86725173 486884181 /nfs/dbraw/zinc/88/41/81/486884181.db2.gz MIKXRGSNICIDGI-VXGBXAGGSA-N 1 1 198.354 2.154 10 0 AEAEMO CCCC[C@H](CC)CN[C@H]1CC[NH2+]C1 86725183 486884279 /nfs/dbraw/zinc/88/42/79/486884279.db2.gz MIKXRGSNICIDGI-RYUDHWBXSA-N 1 1 198.354 2.154 10 0 AEAEMO CCCC[C@@H](CC)CN[C@H]1CC[NH2+]C1 86725181 486884503 /nfs/dbraw/zinc/88/45/03/486884503.db2.gz MIKXRGSNICIDGI-NEPJUHHUSA-N 1 1 198.354 2.154 10 0 AEAEMO CC1=CC[N@@H+](CCOC(C)(C)C)CC1 677379562 486885486 /nfs/dbraw/zinc/88/54/86/486885486.db2.gz BTGCIFYOGCAQAV-UHFFFAOYSA-N 1 1 197.322 2.454 10 0 AEAEMO CC[NH+](CC)Cc1ncc(C2CC2)o1 677675949 486892292 /nfs/dbraw/zinc/89/22/92/486892292.db2.gz HGPLPFAXMWFHBD-UHFFFAOYSA-N 1 1 194.278 2.394 10 0 AEAEMO CCCCOCC[N@@H+]1CC=C(C)CC1 677379618 486886152 /nfs/dbraw/zinc/88/61/52/486886152.db2.gz GLEVKQPMFHKYMC-UHFFFAOYSA-N 1 1 197.322 2.455 10 0 AEAEMO CCCC[N@@H+](CC)[C@@H]1CCCOC1 677475688 486887025 /nfs/dbraw/zinc/88/70/25/486887025.db2.gz FEZNSIZEGHOXPN-LLVKDONJSA-N 1 1 185.311 2.287 10 0 AEAEMO CCCC[N@@H+](CC)[C@H]1CCCOC1 677475692 486887524 /nfs/dbraw/zinc/88/75/24/486887524.db2.gz FEZNSIZEGHOXPN-NSHDSACASA-N 1 1 185.311 2.287 10 0 AEAEMO CC[N@H+](C)Cc1csc(C2CC2)n1 677553959 486889042 /nfs/dbraw/zinc/88/90/42/486889042.db2.gz FLXCCAKHMRQEKE-UHFFFAOYSA-N 1 1 196.319 2.472 10 0 AEAEMO CC[N@@H+](C)Cc1csc(C2CC2)n1 677553959 486889047 /nfs/dbraw/zinc/88/90/47/486889047.db2.gz FLXCCAKHMRQEKE-UHFFFAOYSA-N 1 1 196.319 2.472 10 0 AEAEMO COCC[N@@H+]1CC=C(C(C)(C)C)CC1 677560892 486889446 /nfs/dbraw/zinc/88/94/46/486889446.db2.gz AWFQKQGGWJCBSX-UHFFFAOYSA-N 1 1 197.322 2.311 10 0 AEAEMO CCC[C@@H]1C[N@@H+](CC=C(C)C)CCO1 677570362 486890385 /nfs/dbraw/zinc/89/03/85/486890385.db2.gz HKMGAGFTBLUZOG-GFCCVEGCSA-N 1 1 197.322 2.454 10 0 AEAEMO CCC[C@H]1C[N@@H+](CC=C(C)C)CCO1 677570364 486890778 /nfs/dbraw/zinc/89/07/78/486890778.db2.gz HKMGAGFTBLUZOG-LBPRGKRZSA-N 1 1 197.322 2.454 10 0 AEAEMO CCC[N@H+](C)Cc1ncc(C2CC2)o1 677681985 486892415 /nfs/dbraw/zinc/89/24/15/486892415.db2.gz MRKSLCVQNLCHHV-UHFFFAOYSA-N 1 1 194.278 2.394 10 0 AEAEMO CCC[N@@H+](C)Cc1ncc(C2CC2)o1 677681985 486892422 /nfs/dbraw/zinc/89/24/22/486892422.db2.gz MRKSLCVQNLCHHV-UHFFFAOYSA-N 1 1 194.278 2.394 10 0 AEAEMO CCCCC[N@@H+](C)CCN1CCCC1 677684402 486892431 /nfs/dbraw/zinc/89/24/31/486892431.db2.gz AQHAMILVWSPXHW-UHFFFAOYSA-N 1 1 198.354 2.204 10 0 AEAEMO CCCCCN(C)CC[NH+]1CCCC1 677684402 486892438 /nfs/dbraw/zinc/89/24/38/486892438.db2.gz AQHAMILVWSPXHW-UHFFFAOYSA-N 1 1 198.354 2.204 10 0 AEAEMO CCCC[N@H+](C)Cc1ncc(C)cn1 677674108 486892570 /nfs/dbraw/zinc/89/25/70/486892570.db2.gz OGERRYMUENKBAC-UHFFFAOYSA-N 1 1 193.294 2.017 10 0 AEAEMO CCCC[N@@H+](C)Cc1ncc(C)cn1 677674108 486892575 /nfs/dbraw/zinc/89/25/75/486892575.db2.gz OGERRYMUENKBAC-UHFFFAOYSA-N 1 1 193.294 2.017 10 0 AEAEMO CC[C@H](C)[N@@H+](C)Cc1ncc(C)cn1 677697094 486892704 /nfs/dbraw/zinc/89/27/04/486892704.db2.gz POIVAHAAHJLAHU-JTQLQIEISA-N 1 1 193.294 2.015 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)Cc1ncc(C)cn1 677697096 486893200 /nfs/dbraw/zinc/89/32/00/486893200.db2.gz POIVAHAAHJLAHU-SNVBAGLBSA-N 1 1 193.294 2.015 10 0 AEAEMO CCC[N@@H+](CC)Cc1ncc(C)cn1 677679072 486893269 /nfs/dbraw/zinc/89/32/69/486893269.db2.gz PLNBEBAGVGNMTN-UHFFFAOYSA-N 1 1 193.294 2.017 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CCCSCC1 677710285 486893707 /nfs/dbraw/zinc/89/37/07/486893707.db2.gz LRWXHTMAQZQONL-SNVBAGLBSA-N 1 1 187.352 2.471 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCCSCC1 677710284 486894223 /nfs/dbraw/zinc/89/42/23/486894223.db2.gz LRWXHTMAQZQONL-JTQLQIEISA-N 1 1 187.352 2.471 10 0 AEAEMO CC(C)C[N@H+]1CC[C@H](C(F)F)C1 677731978 486895683 /nfs/dbraw/zinc/89/56/83/486895683.db2.gz UKORUBVOIWZBEQ-QMMMGPOBSA-N 1 1 177.238 2.229 10 0 AEAEMO FC(F)[C@H]1CC[N@@H+](CCC2CC2)C1 677732171 486895817 /nfs/dbraw/zinc/89/58/17/486895817.db2.gz MJANRBNRNIQTDF-VIFPVBQESA-N 1 1 189.249 2.374 10 0 AEAEMO CC(C)C[N@H+]1CC[C@@H](C(F)F)C1 677731977 486895878 /nfs/dbraw/zinc/89/58/78/486895878.db2.gz UKORUBVOIWZBEQ-MRVPVSSYSA-N 1 1 177.238 2.229 10 0 AEAEMO FC(F)[C@@H]1CC[N@@H+](CCC2CC2)C1 677732168 486896221 /nfs/dbraw/zinc/89/62/21/486896221.db2.gz MJANRBNRNIQTDF-SECBINFHSA-N 1 1 189.249 2.374 10 0 AEAEMO CC(C)C[N@@H+]1CCC[C@H]1C(F)F 677738482 486897302 /nfs/dbraw/zinc/89/73/02/486897302.db2.gz HJQOZILPKYZKMG-QMMMGPOBSA-N 1 1 177.238 2.372 10 0 AEAEMO CC(C)C[N@H+]1CCC[C@H]1C(F)F 677738482 486897307 /nfs/dbraw/zinc/89/73/07/486897307.db2.gz HJQOZILPKYZKMG-QMMMGPOBSA-N 1 1 177.238 2.372 10 0 AEAEMO FC(F)[C@@H]1CCC[N@@H+]1CC1CC1 677738905 486897321 /nfs/dbraw/zinc/89/73/21/486897321.db2.gz PFMQTZOIDXYYSR-QMMMGPOBSA-N 1 1 175.222 2.126 10 0 AEAEMO FC(F)[C@@H]1CCC[N@H+]1CC1CC1 677738905 486897324 /nfs/dbraw/zinc/89/73/24/486897324.db2.gz PFMQTZOIDXYYSR-QMMMGPOBSA-N 1 1 175.222 2.126 10 0 AEAEMO CCC[N@@H+]1CCC[C@H]1C(F)F 677737713 486897767 /nfs/dbraw/zinc/89/77/67/486897767.db2.gz LGZALLJPYPVIFX-ZETCQYMHSA-N 1 1 163.211 2.126 10 0 AEAEMO CCC[N@H+]1CCC[C@H]1C(F)F 677737713 486897769 /nfs/dbraw/zinc/89/77/69/486897769.db2.gz LGZALLJPYPVIFX-ZETCQYMHSA-N 1 1 163.211 2.126 10 0 AEAEMO C[N@@H+](CCOCC1CCC1)CC1CC1 677766764 486898113 /nfs/dbraw/zinc/89/81/13/486898113.db2.gz FSFBHRNGXFKASB-UHFFFAOYSA-N 1 1 197.322 2.145 10 0 AEAEMO CC(C)[C@@H](O)C[N@H+]1C[C@H](C)CC[C@@H]1C 87538862 486898300 /nfs/dbraw/zinc/89/83/00/486898300.db2.gz AUVCRDWMRDQIQY-WOPDTQHZSA-N 1 1 199.338 2.124 10 0 AEAEMO CC(C)[C@@H](O)C[N@H+]1C[C@H](C)CC[C@H]1C 87538864 486898381 /nfs/dbraw/zinc/89/83/81/486898381.db2.gz AUVCRDWMRDQIQY-UTUOFQBUSA-N 1 1 199.338 2.124 10 0 AEAEMO CC(C)[C@@H](O)C[N@H+]1CCCCC[C@@H]1C 87538801 486898400 /nfs/dbraw/zinc/89/84/00/486898400.db2.gz KTFKRXXOCVBBPG-RYUDHWBXSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[C@@H](O)C[N@H+]1CCCCC[C@H]1C 87538800 486898470 /nfs/dbraw/zinc/89/84/70/486898470.db2.gz KTFKRXXOCVBBPG-NEPJUHHUSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@]1(C[NH2+]CC(F)F)CCCS1 87793711 486904178 /nfs/dbraw/zinc/90/41/78/486904178.db2.gz BDFBJCYWZWFJEK-MRVPVSSYSA-N 1 1 195.278 2.127 10 0 AEAEMO C[C@@]1(C[NH2+]CC(F)F)CCCS1 87793712 486904258 /nfs/dbraw/zinc/90/42/58/486904258.db2.gz BDFBJCYWZWFJEK-QMMMGPOBSA-N 1 1 195.278 2.127 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@H]1CCCOC1 677882882 486905242 /nfs/dbraw/zinc/90/52/42/486905242.db2.gz HPJWXHBCIDDBFD-NSHDSACASA-N 1 1 185.311 2.143 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@@H]1CCCOC1 677882881 486905471 /nfs/dbraw/zinc/90/54/71/486905471.db2.gz HPJWXHBCIDDBFD-LLVKDONJSA-N 1 1 185.311 2.143 10 0 AEAEMO COCCCC[N@H+]1CC[C@H](C2CC2)C1 677904779 486906197 /nfs/dbraw/zinc/90/61/97/486906197.db2.gz GYFSLEFTJGHLRQ-LBPRGKRZSA-N 1 1 197.322 2.145 10 0 AEAEMO CCOCCC[N@H+]1CC[C@@H](C2CC2)C1 677904705 486906207 /nfs/dbraw/zinc/90/62/07/486906207.db2.gz AFDRECNSMSPHJS-GFCCVEGCSA-N 1 1 197.322 2.145 10 0 AEAEMO CC[C@H](C)C[N@@H+](CC)CC1(O)CCC1 677892689 486906217 /nfs/dbraw/zinc/90/62/17/486906217.db2.gz QIMSLFLELPZKMC-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@H](C)C[N@@H+](CC)CC1(O)CCC1 677892687 486906452 /nfs/dbraw/zinc/90/64/52/486906452.db2.gz QIMSLFLELPZKMC-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO COCCCC[N@H+]1CC[C@@H](C2CC2)C1 677904778 486906521 /nfs/dbraw/zinc/90/65/21/486906521.db2.gz GYFSLEFTJGHLRQ-GFCCVEGCSA-N 1 1 197.322 2.145 10 0 AEAEMO CCOCCC[N@H+]1CC[C@H](C2CC2)C1 677904706 486907222 /nfs/dbraw/zinc/90/72/22/486907222.db2.gz AFDRECNSMSPHJS-LBPRGKRZSA-N 1 1 197.322 2.145 10 0 AEAEMO CC(C)C[N@H+]1CC[C@@H](C2CC2)C1 677905259 486907508 /nfs/dbraw/zinc/90/75/08/486907508.db2.gz IASNYHAUXWCOIT-LLVKDONJSA-N 1 1 167.296 2.374 10 0 AEAEMO CC(C)C[N@H+]1CC[C@H](C2CC2)C1 677905260 486908149 /nfs/dbraw/zinc/90/81/49/486908149.db2.gz IASNYHAUXWCOIT-NSHDSACASA-N 1 1 167.296 2.374 10 0 AEAEMO CCCCC[N@H+]1CCOC2(CCC2)C1 677990464 486910899 /nfs/dbraw/zinc/91/08/99/486910899.db2.gz CLLXNQOSFMYZKM-UHFFFAOYSA-N 1 1 197.322 2.432 10 0 AEAEMO CC[C@]1(C)CCC[N@@H+](C[C@@H](C)CO)C1 678045164 486913026 /nfs/dbraw/zinc/91/30/26/486913026.db2.gz YECQZTCMCJCHBF-VXGBXAGGSA-N 1 1 199.338 2.127 10 0 AEAEMO CC[C@@]1(C)CCC[N@@H+](C[C@@H](C)CO)C1 678045154 486913031 /nfs/dbraw/zinc/91/30/31/486913031.db2.gz YECQZTCMCJCHBF-NEPJUHHUSA-N 1 1 199.338 2.127 10 0 AEAEMO CC[C@@]1(C)CCC[N@@H+](C[C@H](C)CO)C1 678045162 486913066 /nfs/dbraw/zinc/91/30/66/486913066.db2.gz YECQZTCMCJCHBF-RYUDHWBXSA-N 1 1 199.338 2.127 10 0 AEAEMO CCC[C@H]1CCC[N@@H+](C[C@@H](C)CO)C1 678044365 486913045 /nfs/dbraw/zinc/91/30/45/486913045.db2.gz PAEGQKOKOYRICG-NEPJUHHUSA-N 1 1 199.338 2.127 10 0 AEAEMO C[C@@H](CO)C[N@H+]1CCC[C@@H]1C(C)(C)C 678044725 486913057 /nfs/dbraw/zinc/91/30/57/486913057.db2.gz FIRFQBMNEIHGMY-GHMZBOCLSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@@H](CO)C[N@H+]1CCC[C@H]1C(C)(C)C 678044726 486913137 /nfs/dbraw/zinc/91/31/37/486913137.db2.gz FIRFQBMNEIHGMY-MNOVXSKESA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@@H]1CCC[N@@H+](C[C@H](C)CO)C1 678044366 486913250 /nfs/dbraw/zinc/91/32/50/486913250.db2.gz PAEGQKOKOYRICG-NWDGAFQWSA-N 1 1 199.338 2.127 10 0 AEAEMO CCC[C@H]1CCC[N@@H+](C[C@H](C)CO)C1 678044367 486913426 /nfs/dbraw/zinc/91/34/26/486913426.db2.gz PAEGQKOKOYRICG-RYUDHWBXSA-N 1 1 199.338 2.127 10 0 AEAEMO C[C@H](CO)C[N@H+]1C[C@H](C)CCC[C@@H]1C 678045234 486913541 /nfs/dbraw/zinc/91/35/41/486913541.db2.gz ZJBFTDAMHNEISL-WOPDTQHZSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H](CO)C[N@H+](C1CCCC1)C1CC1 678044717 486913550 /nfs/dbraw/zinc/91/35/50/486913550.db2.gz FEIQDMJGQWPLFB-JTQLQIEISA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@]1(C)CCC[N@@H+](C[C@H](C)CO)C1 678045160 486913653 /nfs/dbraw/zinc/91/36/53/486913653.db2.gz YECQZTCMCJCHBF-NWDGAFQWSA-N 1 1 199.338 2.127 10 0 AEAEMO CCC[C@@H]1CCC[N@@H+](C[C@@H](C)CO)C1 678044368 486913661 /nfs/dbraw/zinc/91/36/61/486913661.db2.gz PAEGQKOKOYRICG-VXGBXAGGSA-N 1 1 199.338 2.127 10 0 AEAEMO C[C@H](CO)C[N@H+]1CCC[C@@H]1C(C)(C)C 678044728 486913670 /nfs/dbraw/zinc/91/36/70/486913670.db2.gz FIRFQBMNEIHGMY-WDEREUQCSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H](CO)C[N@H+]1C[C@@H](C)CCC[C@H]1C 678045231 486913692 /nfs/dbraw/zinc/91/36/92/486913692.db2.gz ZJBFTDAMHNEISL-SDDRHHMPSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H](CO)C[N@H+]1CCC[C@H]1C(C)(C)C 678044727 486913742 /nfs/dbraw/zinc/91/37/42/486913742.db2.gz FIRFQBMNEIHGMY-QWRGUYRKSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H](CO)C[N@H+]1C[C@@H](C)CCC[C@@H]1C 678045232 486913763 /nfs/dbraw/zinc/91/37/63/486913763.db2.gz ZJBFTDAMHNEISL-SRVKXCTJSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H](CO)C[N@H+]1C[C@H](C)CCC[C@H]1C 678045230 486913817 /nfs/dbraw/zinc/91/38/17/486913817.db2.gz ZJBFTDAMHNEISL-GRYCIOLGSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@@H](CO)C[N@H+](C1CCCC1)C1CC1 678044718 486913887 /nfs/dbraw/zinc/91/38/87/486913887.db2.gz FEIQDMJGQWPLFB-SNVBAGLBSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)[N@H+](C[C@H](C)CO)C1CCCC1 678046944 486914257 /nfs/dbraw/zinc/91/42/57/486914257.db2.gz VJTMIEGUDUEAND-NSHDSACASA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[N@H+](C[C@@H](C)CO)C1CCCC1 678046942 486914368 /nfs/dbraw/zinc/91/43/68/486914368.db2.gz VJTMIEGUDUEAND-LLVKDONJSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)C[N@H+](C)CC[C@H]1CCCN1C 678074519 486916693 /nfs/dbraw/zinc/91/66/93/486916693.db2.gz FMGGCICQJYBDSD-GFCCVEGCSA-N 1 1 198.354 2.059 10 0 AEAEMO CC(C)C[N@@H+](C)CC[C@H]1CCCN1C 678074519 486916696 /nfs/dbraw/zinc/91/66/96/486916696.db2.gz FMGGCICQJYBDSD-GFCCVEGCSA-N 1 1 198.354 2.059 10 0 AEAEMO CC(C)=CC[N@H+](C)CC1CCOCC1 678085227 486916757 /nfs/dbraw/zinc/91/67/57/486916757.db2.gz ICBBDPJFVVYKSU-UHFFFAOYSA-N 1 1 197.322 2.311 10 0 AEAEMO CC(C)C[N@H+](C)CC[C@@H]1CCCN1C 678074520 486917015 /nfs/dbraw/zinc/91/70/15/486917015.db2.gz FMGGCICQJYBDSD-LBPRGKRZSA-N 1 1 198.354 2.059 10 0 AEAEMO CC(C)C[N@@H+](C)CC[C@@H]1CCCN1C 678074520 486917018 /nfs/dbraw/zinc/91/70/18/486917018.db2.gz FMGGCICQJYBDSD-LBPRGKRZSA-N 1 1 198.354 2.059 10 0 AEAEMO CCCC[N@@H+](CC)CC1=CCCOC1 678120571 486917846 /nfs/dbraw/zinc/91/78/46/486917846.db2.gz CFUPDUYCVNRHAA-UHFFFAOYSA-N 1 1 197.322 2.455 10 0 AEAEMO CCCn1cc(C[N@@H+](C)C(C)C)cn1 678120539 486918231 /nfs/dbraw/zinc/91/82/31/486918231.db2.gz BCHXFYSFVRUKPO-UHFFFAOYSA-N 1 1 195.310 2.133 10 0 AEAEMO CCC[N@@H+](C)Cc1ccc(COC)o1 678132418 486918842 /nfs/dbraw/zinc/91/88/42/486918842.db2.gz FTFZQAIXTJLOHP-UHFFFAOYSA-N 1 1 197.278 2.268 10 0 AEAEMO CCCn1cc(C[N@@H+](C)CCC)cn1 678132384 486919386 /nfs/dbraw/zinc/91/93/86/486919386.db2.gz CNCRVIOAFPHFSE-UHFFFAOYSA-N 1 1 195.310 2.135 10 0 AEAEMO CC[N@@H+](C)Cc1ccc(COC)cc1 678133450 486920059 /nfs/dbraw/zinc/92/00/59/486920059.db2.gz ARZXVGPNKSQVBZ-UHFFFAOYSA-N 1 1 193.290 2.285 10 0 AEAEMO CC[N@@H+](C)Cc1c[nH]nc1C(C)(C)C 678134275 486920223 /nfs/dbraw/zinc/92/02/23/486920223.db2.gz VASJIVCROPCXOE-UHFFFAOYSA-N 1 1 195.310 2.159 10 0 AEAEMO CC[N@@H+](C)Cc1cnn(C(C)(C)C)c1 678134053 486920540 /nfs/dbraw/zinc/92/05/40/486920540.db2.gz RFBAAFMHMXQGJW-UHFFFAOYSA-N 1 1 195.310 2.090 10 0 AEAEMO CC[N@@H+](Cc1cc[nH]n1)C1CCCC1 678140911 486921355 /nfs/dbraw/zinc/92/13/55/486921355.db2.gz VWBVMJCSOQTOJO-UHFFFAOYSA-N 1 1 193.294 2.174 10 0 AEAEMO CC(C)C[C@@H](C)[N@@H+](C)Cc1cc[nH]n1 678153959 486922813 /nfs/dbraw/zinc/92/28/13/486922813.db2.gz WFFXRXGISMTMJU-SNVBAGLBSA-N 1 1 195.310 2.276 10 0 AEAEMO C[C@@H](c1ccccn1)[N@@H+](C)CCCF 678163417 486923156 /nfs/dbraw/zinc/92/31/56/486923156.db2.gz YTUYTWXFPIMMBF-JTQLQIEISA-N 1 1 196.269 2.434 10 0 AEAEMO C[C@H](c1ccccn1)[N@@H+](C)CCCF 678163418 486923279 /nfs/dbraw/zinc/92/32/79/486923279.db2.gz YTUYTWXFPIMMBF-SNVBAGLBSA-N 1 1 196.269 2.434 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)Cc1cc[nH]n1 678153957 486923314 /nfs/dbraw/zinc/92/33/14/486923314.db2.gz WFFXRXGISMTMJU-JTQLQIEISA-N 1 1 195.310 2.276 10 0 AEAEMO C[C@@H]([N@@H+](C)Cc1cc[nH]n1)C(C)(C)C 678153186 486923576 /nfs/dbraw/zinc/92/35/76/486923576.db2.gz HGSIVLGUADTJEC-SECBINFHSA-N 1 1 195.310 2.276 10 0 AEAEMO C[C@H]([N@@H+](C)Cc1cc[nH]n1)C(C)(C)C 678153187 486923592 /nfs/dbraw/zinc/92/35/92/486923592.db2.gz HGSIVLGUADTJEC-VIFPVBQESA-N 1 1 195.310 2.276 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)CC1CC1 113246697 486924188 /nfs/dbraw/zinc/92/41/88/486924188.db2.gz KDQGWEUMHNRFNY-SECBINFHSA-N 1 1 155.285 2.374 10 0 AEAEMO Cc1ncccc1C[N@@H+](C)CC1CC1 678192176 486924214 /nfs/dbraw/zinc/92/42/14/486924214.db2.gz DLDCYUMURIDMRT-UHFFFAOYSA-N 1 1 190.290 2.232 10 0 AEAEMO CCC(CC)C[N@@H+](C)CCCOC 678215820 486925597 /nfs/dbraw/zinc/92/55/97/486925597.db2.gz GZLAGDORMXMLKA-UHFFFAOYSA-N 1 1 187.327 2.391 10 0 AEAEMO Cc1ccoc1C[N@@H+](C)CC1CC1 678192496 486925733 /nfs/dbraw/zinc/92/57/33/486925733.db2.gz LJIXUHIYWGNKNY-UHFFFAOYSA-N 1 1 179.263 2.430 10 0 AEAEMO COC[C@@H](C)[N@@H+](C)C[C@@H]1CC=CCC1 678192947 486925905 /nfs/dbraw/zinc/92/59/05/486925905.db2.gz NNFVHZBEGPPOQV-VXGBXAGGSA-N 1 1 197.322 2.309 10 0 AEAEMO COC[C@H](C)[N@@H+](C)C[C@H]1CC=CCC1 678192946 486925916 /nfs/dbraw/zinc/92/59/16/486925916.db2.gz NNFVHZBEGPPOQV-RYUDHWBXSA-N 1 1 197.322 2.309 10 0 AEAEMO COC[C@H](C)[N@@H+](C)C[C@@H]1CC=CCC1 678192944 486926238 /nfs/dbraw/zinc/92/62/38/486926238.db2.gz NNFVHZBEGPPOQV-NWDGAFQWSA-N 1 1 197.322 2.309 10 0 AEAEMO COC[C@@H](C)[N@@H+](C)C[C@H]1CC=CCC1 678192942 486926253 /nfs/dbraw/zinc/92/62/53/486926253.db2.gz NNFVHZBEGPPOQV-NEPJUHHUSA-N 1 1 197.322 2.309 10 0 AEAEMO CCC(CC)C[N@@H+](C)Cc1cc[nH]n1 678260226 486928099 /nfs/dbraw/zinc/92/80/99/486928099.db2.gz UDBYOCVTGAUGIW-UHFFFAOYSA-N 1 1 195.310 2.278 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1Cc1cn[nH]c1 678263673 486928170 /nfs/dbraw/zinc/92/81/70/486928170.db2.gz CACMBHSNDBDJJG-JTQLQIEISA-N 1 1 193.294 2.174 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1Cc1cn[nH]c1 678263675 486928390 /nfs/dbraw/zinc/92/83/90/486928390.db2.gz CACMBHSNDBDJJG-SNVBAGLBSA-N 1 1 193.294 2.174 10 0 AEAEMO CC[N@H+](CC1=CCCOC1)CC1CC1 678263047 486928598 /nfs/dbraw/zinc/92/85/98/486928598.db2.gz AZODJTHAGQUFDK-UHFFFAOYSA-N 1 1 195.306 2.065 10 0 AEAEMO C[C@H]1CC[C@@H](C)C[N@@H+]1Cc1cn[nH]c1 678270496 486929172 /nfs/dbraw/zinc/92/91/72/486929172.db2.gz CKAPHMAEMUBLBX-ZJUUUORDSA-N 1 1 193.294 2.030 10 0 AEAEMO C[C@H]1CC[C@@H](C)[N@@H+](Cc2cn[nH]c2)C1 678270494 486929267 /nfs/dbraw/zinc/92/92/67/486929267.db2.gz CKAPHMAEMUBLBX-VHSXEESVSA-N 1 1 193.294 2.030 10 0 AEAEMO CC1(C)C[N@H+](C2CCCC2)CCCO1 678271775 486929659 /nfs/dbraw/zinc/92/96/59/486929659.db2.gz GJBZUFMAPNAYTP-UHFFFAOYSA-N 1 1 197.322 2.430 10 0 AEAEMO C[C@H]1CC[C@H](C)[N@@H+](Cc2cn[nH]c2)C1 678270493 486930092 /nfs/dbraw/zinc/93/00/92/486930092.db2.gz CKAPHMAEMUBLBX-UWVGGRQHSA-N 1 1 193.294 2.030 10 0 AEAEMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2cn[nH]c2)C1 678270492 486930170 /nfs/dbraw/zinc/93/01/70/486930170.db2.gz CKAPHMAEMUBLBX-NXEZZACHSA-N 1 1 193.294 2.030 10 0 AEAEMO C[N@H+](Cc1ccc[nH]1)Cc1ccco1 678294601 486930639 /nfs/dbraw/zinc/93/06/39/486930639.db2.gz MTUVJMDTDHXPFQ-UHFFFAOYSA-N 1 1 190.246 2.240 10 0 AEAEMO C[N@@H+](Cc1ccc[nH]1)Cc1ccco1 678294601 486930643 /nfs/dbraw/zinc/93/06/43/486930643.db2.gz MTUVJMDTDHXPFQ-UHFFFAOYSA-N 1 1 190.246 2.240 10 0 AEAEMO CC(C)[N@@H+](Cc1cc[nH]n1)C1CCC1 678276420 486931155 /nfs/dbraw/zinc/93/11/55/486931155.db2.gz HWTTVWKHRGMHET-UHFFFAOYSA-N 1 1 193.294 2.173 10 0 AEAEMO COC[C@H](C)C[N@@H+](C)C1CCCC1 678294825 486931977 /nfs/dbraw/zinc/93/19/77/486931977.db2.gz VMEPTODFVAMNTD-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO COC[C@@H](C)C[N@@H+](C)C1CCCC1 678294824 486931988 /nfs/dbraw/zinc/93/19/88/486931988.db2.gz VMEPTODFVAMNTD-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO CO[C@@H](C)C[N@@H+](C(C)C)C1CCC1 678348771 486933253 /nfs/dbraw/zinc/93/32/53/486933253.db2.gz ABYHCHDGBYALRV-JTQLQIEISA-N 1 1 185.311 2.284 10 0 AEAEMO CO[C@H](C)C[N@@H+](C(C)C)C1CCC1 678348772 486933440 /nfs/dbraw/zinc/93/34/40/486933440.db2.gz ABYHCHDGBYALRV-SNVBAGLBSA-N 1 1 185.311 2.284 10 0 AEAEMO CC(C)[N@@H+](C[C@H]1C[C@H]1C)[C@@H]1CCOC1 678349338 486934104 /nfs/dbraw/zinc/93/41/04/486934104.db2.gz JQJRKBYEGJIJFG-IJLUTSLNSA-N 1 1 197.322 2.142 10 0 AEAEMO CC(C)C[C@@H](C)[N@@H+](CCO)CC1CC1 678349292 486934329 /nfs/dbraw/zinc/93/43/29/486934329.db2.gz ITTVFYILMKDCFT-LLVKDONJSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](CCO)CC1CC1 678349293 486934366 /nfs/dbraw/zinc/93/43/66/486934366.db2.gz ITTVFYILMKDCFT-NSHDSACASA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)[N@@H+](C[C@@H]1C[C@H]1C)[C@@H]1CCOC1 678349337 486934402 /nfs/dbraw/zinc/93/44/02/486934402.db2.gz JQJRKBYEGJIJFG-GRYCIOLGSA-N 1 1 197.322 2.142 10 0 AEAEMO CC(C)[N@@H+](C[C@@H]1C[C@H]1C)[C@H]1CCOC1 678349340 486934601 /nfs/dbraw/zinc/93/46/01/486934601.db2.gz JQJRKBYEGJIJFG-WOPDTQHZSA-N 1 1 197.322 2.142 10 0 AEAEMO CC(C)C[N@@H+](C(C)C)[C@@H]1CCOC1 678349081 486934662 /nfs/dbraw/zinc/93/46/62/486934662.db2.gz HKCUVAXWSAULST-LLVKDONJSA-N 1 1 185.311 2.142 10 0 AEAEMO CC(C)C[N@@H+](C(C)C)[C@H]1CCOC1 678349083 486934697 /nfs/dbraw/zinc/93/46/97/486934697.db2.gz HKCUVAXWSAULST-NSHDSACASA-N 1 1 185.311 2.142 10 0 AEAEMO CC(C)[N@@H+](C[C@H]1C[C@H]1C)[C@H]1CCOC1 678349339 486934756 /nfs/dbraw/zinc/93/47/56/486934756.db2.gz JQJRKBYEGJIJFG-UTUOFQBUSA-N 1 1 197.322 2.142 10 0 AEAEMO Cc1cnc([C@H](C)[N@@H+](C)CC2CC2)o1 678461522 486936527 /nfs/dbraw/zinc/93/65/27/486936527.db2.gz NTJJVXGMVSKHRY-VIFPVBQESA-N 1 1 194.278 2.386 10 0 AEAEMO CC(C)[C@@H]1CC[N@@H+](CCCCCO)C1 122821338 486936761 /nfs/dbraw/zinc/93/67/61/486936761.db2.gz UPBKMCMGHYHYKL-GFCCVEGCSA-N 1 1 199.338 2.127 10 0 AEAEMO CC(C)[C@H]1CC[N@@H+](CCCCCO)C1 122821555 486936794 /nfs/dbraw/zinc/93/67/94/486936794.db2.gz UPBKMCMGHYHYKL-LBPRGKRZSA-N 1 1 199.338 2.127 10 0 AEAEMO Cc1cnc([C@@H](C)[N@@H+](C)CC2CC2)o1 678461521 486936889 /nfs/dbraw/zinc/93/68/89/486936889.db2.gz NTJJVXGMVSKHRY-SECBINFHSA-N 1 1 194.278 2.386 10 0 AEAEMO Cc1cccnc1C[N@@H+](C)CC1CC1 678514745 486938440 /nfs/dbraw/zinc/93/84/40/486938440.db2.gz SCYROQHWTXUAJV-UHFFFAOYSA-N 1 1 190.290 2.232 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@H](COC)C1 678828757 486947571 /nfs/dbraw/zinc/94/75/71/486947571.db2.gz JUDLIFZEGQLICD-RYUDHWBXSA-N 1 1 199.338 2.391 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CC[C@@H](COC)C1 678828761 486947639 /nfs/dbraw/zinc/94/76/39/486947639.db2.gz JUDLIFZEGQLICD-VXGBXAGGSA-N 1 1 199.338 2.391 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)C[C@H]1CCOC1 678839878 486947650 /nfs/dbraw/zinc/94/76/50/486947650.db2.gz DYCLDKCDNSJRFX-NWDGAFQWSA-N 1 1 199.338 2.391 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)C[C@@H]1CCOC1 678839879 486947745 /nfs/dbraw/zinc/94/77/45/486947745.db2.gz DYCLDKCDNSJRFX-RYUDHWBXSA-N 1 1 199.338 2.391 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@@H](COC)C1 678828754 486947763 /nfs/dbraw/zinc/94/77/63/486947763.db2.gz JUDLIFZEGQLICD-NWDGAFQWSA-N 1 1 199.338 2.391 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)C[C@H]1CCOC1 678839880 486947825 /nfs/dbraw/zinc/94/78/25/486947825.db2.gz DYCLDKCDNSJRFX-VXGBXAGGSA-N 1 1 199.338 2.391 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)Cc1cn[nH]c1 678830525 486947844 /nfs/dbraw/zinc/94/78/44/486947844.db2.gz OPEGTIGAMKYESX-SNVBAGLBSA-N 1 1 195.310 2.278 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CC[C@H](COC)C1 678828750 486947945 /nfs/dbraw/zinc/94/79/45/486947945.db2.gz JUDLIFZEGQLICD-NEPJUHHUSA-N 1 1 199.338 2.391 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)Cc1cc[nH]n1 678828799 486948210 /nfs/dbraw/zinc/94/82/10/486948210.db2.gz VKLVHKIHRUFXOR-JTQLQIEISA-N 1 1 195.310 2.278 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)Cc1cn[nH]c1 678830524 486948305 /nfs/dbraw/zinc/94/83/05/486948305.db2.gz OPEGTIGAMKYESX-JTQLQIEISA-N 1 1 195.310 2.278 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)C[C@@H]1CCOC1 678839877 486948355 /nfs/dbraw/zinc/94/83/55/486948355.db2.gz DYCLDKCDNSJRFX-NEPJUHHUSA-N 1 1 199.338 2.391 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)Cc1cc[nH]n1 678828801 486948486 /nfs/dbraw/zinc/94/84/86/486948486.db2.gz VKLVHKIHRUFXOR-SNVBAGLBSA-N 1 1 195.310 2.278 10 0 AEAEMO CCC[C@@H]1CCC[N@@H+]1C1CCNCC1 146701325 486951966 /nfs/dbraw/zinc/95/19/66/486951966.db2.gz RUHYPPCIJVDZAH-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CCC[C@@H]1CCC[N@H+]1C1CCNCC1 146701325 486951969 /nfs/dbraw/zinc/95/19/69/486951969.db2.gz RUHYPPCIJVDZAH-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CCC[C@H]1CCC[N@@H+]1C1CCNCC1 146701449 486953015 /nfs/dbraw/zinc/95/30/15/486953015.db2.gz RUHYPPCIJVDZAH-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CCC[C@H]1CCC[N@H+]1C1CCNCC1 146701449 486953018 /nfs/dbraw/zinc/95/30/18/486953018.db2.gz RUHYPPCIJVDZAH-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CCC(CC)C[N@@H+](C)CC 147298474 486955133 /nfs/dbraw/zinc/95/51/33/486955133.db2.gz DLAZAKAUHNPOJH-UHFFFAOYSA-N 1 1 143.274 2.374 10 0 AEAEMO CSCCCCn1cc[nH+]c1C 147368215 486955331 /nfs/dbraw/zinc/95/53/31/486955331.db2.gz FCGUPJHBOQESKE-UHFFFAOYSA-N 1 1 184.308 2.335 10 0 AEAEMO CC(C)OCCC[N@@H+]1CC=CCC1 679321436 486957472 /nfs/dbraw/zinc/95/74/72/486957472.db2.gz BYPZQFUXFRBOPZ-UHFFFAOYSA-N 1 1 183.295 2.063 10 0 AEAEMO Cc1csc(C[N@H+]2CC=CCC2)n1 679321490 486957498 /nfs/dbraw/zinc/95/74/98/486957498.db2.gz DUOPDSJFBFODNU-UHFFFAOYSA-N 1 1 194.303 2.213 10 0 AEAEMO Cc1csc(C[N@@H+]2CC=CCC2)n1 679321490 486957501 /nfs/dbraw/zinc/95/75/01/486957501.db2.gz DUOPDSJFBFODNU-UHFFFAOYSA-N 1 1 194.303 2.213 10 0 AEAEMO C[N@H+](CC1CCC1)CC1CC1 147901304 486958042 /nfs/dbraw/zinc/95/80/42/486958042.db2.gz XOMWYSJOIVZNEM-UHFFFAOYSA-N 1 1 153.269 2.128 10 0 AEAEMO C[C@H](c1cccnc1)[N@@H+]1CC=CCC1 679322597 486958433 /nfs/dbraw/zinc/95/84/33/486958433.db2.gz CSIDIYONDUVMHE-LLVKDONJSA-N 1 1 188.274 2.405 10 0 AEAEMO Cc1ccncc1C[N@@H+]1CC=CCC1 679322135 486958665 /nfs/dbraw/zinc/95/86/65/486958665.db2.gz BWVHOYIEYUCNKW-UHFFFAOYSA-N 1 1 188.274 2.152 10 0 AEAEMO C[C@@H](c1cccnc1)[N@@H+]1CC=CCC1 679322598 486958713 /nfs/dbraw/zinc/95/87/13/486958713.db2.gz CSIDIYONDUVMHE-NSHDSACASA-N 1 1 188.274 2.405 10 0 AEAEMO C[N@@H+](C[C@H](O)C(C)(C)C)C(C)(C)C 148346969 486959190 /nfs/dbraw/zinc/95/91/90/486959190.db2.gz QTEKZZDLJUYDEF-VIFPVBQESA-N 1 1 187.327 2.124 10 0 AEAEMO C[N@@H+](C[C@@H](O)C(C)(C)C)C(C)(C)C 148346839 486959321 /nfs/dbraw/zinc/95/93/21/486959321.db2.gz QTEKZZDLJUYDEF-SECBINFHSA-N 1 1 187.327 2.124 10 0 AEAEMO C[C@H]1C[C@H](C[N@@H+]2CC[C@@H](C)C2)CCO1 679328576 486959655 /nfs/dbraw/zinc/95/96/55/486959655.db2.gz RZZJUQMHNDDLAD-GRYCIOLGSA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@@H]1C[C@@H](C[N@@H+](C)CC2CC2)CCO1 679328289 486959740 /nfs/dbraw/zinc/95/97/40/486959740.db2.gz BFTGDCMQUNGJLG-PWSUYJOCSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[N@@H+](C)CCOc1ccc(C)cc1 148762858 486959802 /nfs/dbraw/zinc/95/98/02/486959802.db2.gz FJXRZOGWFBMJEB-UHFFFAOYSA-N 1 1 193.290 2.326 10 0 AEAEMO C[C@@H]1C[C@H](C[N@@H+](C)CC2CC2)CCO1 679328290 486959924 /nfs/dbraw/zinc/95/99/24/486959924.db2.gz BFTGDCMQUNGJLG-ZYHUDNBSSA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@H]1C[C@@H](C[N@@H+](C)CC2CC2)CCO1 679328288 486960322 /nfs/dbraw/zinc/96/03/22/486960322.db2.gz BFTGDCMQUNGJLG-JQWIXIFHSA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@H]1C[C@H](C[N@@H+](C)CC2CC2)CCO1 679328287 486960426 /nfs/dbraw/zinc/96/04/26/486960426.db2.gz BFTGDCMQUNGJLG-CMPLNLGQSA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@H]1C[C@@H](C[N@@H+]2CC=CCC2)CCO1 679359022 486960706 /nfs/dbraw/zinc/96/07/06/486960706.db2.gz MGDUUYGRGZICKU-RYUDHWBXSA-N 1 1 195.306 2.063 10 0 AEAEMO C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]2C)CCO1 679333707 486960720 /nfs/dbraw/zinc/96/07/20/486960720.db2.gz BAJXOQNHFKLEQM-IJLUTSLNSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H]1CC[N@@H+](C[C@H]2CCO[C@H](C)C2)C1 679328580 486960779 /nfs/dbraw/zinc/96/07/79/486960779.db2.gz RZZJUQMHNDDLAD-UTUOFQBUSA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@H]1CC[N@H+](Cc2ccco2)C[C@H]1F 679359376 486960816 /nfs/dbraw/zinc/96/08/16/486960816.db2.gz PMXYCURIJOMZHT-GXSJLCMTSA-N 1 1 197.253 2.460 10 0 AEAEMO C[C@H]1CC[N@@H+](Cc2ccco2)C[C@H]1F 679359376 486960820 /nfs/dbraw/zinc/96/08/20/486960820.db2.gz PMXYCURIJOMZHT-GXSJLCMTSA-N 1 1 197.253 2.460 10 0 AEAEMO CC(C)C[N@@H+](C)C[C@@H]1CCO[C@H](C)C1 679328599 486960835 /nfs/dbraw/zinc/96/08/35/486960835.db2.gz GOIKXASNONAITD-VXGBXAGGSA-N 1 1 199.338 2.389 10 0 AEAEMO CC(C)C[N@@H+](C)C[C@@H]1CCO[C@@H](C)C1 679328596 486960861 /nfs/dbraw/zinc/96/08/61/486960861.db2.gz GOIKXASNONAITD-NWDGAFQWSA-N 1 1 199.338 2.389 10 0 AEAEMO CC[N@@H+](C[C@H]1CCO[C@@H](C)C1)C1CC1 679328607 486960889 /nfs/dbraw/zinc/96/08/89/486960889.db2.gz GPKUDKZEFNJVFV-QWRGUYRKSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@H]1C[C@H](C[N@@H+]2CC=CCC2)CCO1 679359021 486960903 /nfs/dbraw/zinc/96/09/03/486960903.db2.gz MGDUUYGRGZICKU-NWDGAFQWSA-N 1 1 195.306 2.063 10 0 AEAEMO C[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@H](C)C2)C1 679328578 486960915 /nfs/dbraw/zinc/96/09/15/486960915.db2.gz RZZJUQMHNDDLAD-IJLUTSLNSA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@H]1CCC[N@H+]1C[C@H]1CCO[C@H](C)C1 679333709 486960955 /nfs/dbraw/zinc/96/09/55/486960955.db2.gz BAJXOQNHFKLEQM-TUAOUCFPSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@H]1CCC[N@H+]1C[C@@H]1CCO[C@H](C)C1 679333708 486961029 /nfs/dbraw/zinc/96/10/29/486961029.db2.gz BAJXOQNHFKLEQM-QJPTWQEYSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H]1CC[N@H+](Cc2ccco2)C[C@H]1F 679359379 486961042 /nfs/dbraw/zinc/96/10/42/486961042.db2.gz PMXYCURIJOMZHT-MWLCHTKSSA-N 1 1 197.253 2.460 10 0 AEAEMO C[C@@H]1CC[N@@H+](Cc2ccco2)C[C@H]1F 679359379 486961050 /nfs/dbraw/zinc/96/10/50/486961050.db2.gz PMXYCURIJOMZHT-MWLCHTKSSA-N 1 1 197.253 2.460 10 0 AEAEMO C[C@@H]1C[C@H](C[N@@H+]2CC=CCC2)CCO1 679359023 486961105 /nfs/dbraw/zinc/96/11/05/486961105.db2.gz MGDUUYGRGZICKU-VXGBXAGGSA-N 1 1 195.306 2.063 10 0 AEAEMO C[C@H]1C[C@@H](C[N@@H+]2CC[C@@H](C)C2)CCO1 679328583 486961160 /nfs/dbraw/zinc/96/11/60/486961160.db2.gz RZZJUQMHNDDLAD-WOPDTQHZSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[N@@H+](C[C@@H]1CCO[C@@H](C)C1)C1CC1 679328609 486961236 /nfs/dbraw/zinc/96/12/36/486961236.db2.gz GPKUDKZEFNJVFV-WDEREUQCSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H]1C[C@@H](C[N@@H+]2CC=CCC2)CCO1 679359020 486961320 /nfs/dbraw/zinc/96/13/20/486961320.db2.gz MGDUUYGRGZICKU-NEPJUHHUSA-N 1 1 195.306 2.063 10 0 AEAEMO CC[N@@H+](C[C@H]1CCO[C@H](C)C1)C1CC1 679328606 486961430 /nfs/dbraw/zinc/96/14/30/486961430.db2.gz GPKUDKZEFNJVFV-MNOVXSKESA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H]2C)CCO1 679333710 486961456 /nfs/dbraw/zinc/96/14/56/486961456.db2.gz BAJXOQNHFKLEQM-UTUOFQBUSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H]1CC[N@H+](Cc2ccco2)C[C@@H]1F 679359377 486961519 /nfs/dbraw/zinc/96/15/19/486961519.db2.gz PMXYCURIJOMZHT-KOLCDFICSA-N 1 1 197.253 2.460 10 0 AEAEMO C[C@@H]1CC[N@@H+](Cc2ccco2)C[C@@H]1F 679359377 486961523 /nfs/dbraw/zinc/96/15/23/486961523.db2.gz PMXYCURIJOMZHT-KOLCDFICSA-N 1 1 197.253 2.460 10 0 AEAEMO CC(C)C[N@@H+](C)C[C@H]1CCO[C@@H](C)C1 679328598 486961549 /nfs/dbraw/zinc/96/15/49/486961549.db2.gz GOIKXASNONAITD-RYUDHWBXSA-N 1 1 199.338 2.389 10 0 AEAEMO CC(C)C[N@@H+](C)C[C@H]1CCO[C@H](C)C1 679328593 486961585 /nfs/dbraw/zinc/96/15/85/486961585.db2.gz GOIKXASNONAITD-NEPJUHHUSA-N 1 1 199.338 2.389 10 0 AEAEMO C[C@H]1CC[N@H+](Cc2ccco2)C[C@@H]1F 679359381 486961626 /nfs/dbraw/zinc/96/16/26/486961626.db2.gz PMXYCURIJOMZHT-ONGXEEELSA-N 1 1 197.253 2.460 10 0 AEAEMO C[C@H]1CC[N@@H+](Cc2ccco2)C[C@@H]1F 679359381 486961630 /nfs/dbraw/zinc/96/16/30/486961630.db2.gz PMXYCURIJOMZHT-ONGXEEELSA-N 1 1 197.253 2.460 10 0 AEAEMO CC[N@@H+](C[C@@H]1CCO[C@H](C)C1)C1CC1 679328604 486961672 /nfs/dbraw/zinc/96/16/72/486961672.db2.gz GPKUDKZEFNJVFV-GHMZBOCLSA-N 1 1 197.322 2.286 10 0 AEAEMO CCC[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 679369820 486961982 /nfs/dbraw/zinc/96/19/82/486961982.db2.gz ZSRIRZLJDRVGEI-WDEREUQCSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 679369814 486962300 /nfs/dbraw/zinc/96/23/00/486962300.db2.gz ZSRIRZLJDRVGEI-MNOVXSKESA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 679369817 486962418 /nfs/dbraw/zinc/96/24/18/486962418.db2.gz ZSRIRZLJDRVGEI-QWRGUYRKSA-N 1 1 199.338 2.125 10 0 AEAEMO CCOCC[N@@H+](C)C[C@@H]1CC=CCC1 679422828 486962447 /nfs/dbraw/zinc/96/24/47/486962447.db2.gz FGZRMLZGGIHEMJ-GFCCVEGCSA-N 1 1 197.322 2.311 10 0 AEAEMO CCC[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 679369811 486962494 /nfs/dbraw/zinc/96/24/94/486962494.db2.gz ZSRIRZLJDRVGEI-GHMZBOCLSA-N 1 1 199.338 2.125 10 0 AEAEMO CCOCC[N@@H+](C)C[C@H]1CC=CCC1 679422829 486962548 /nfs/dbraw/zinc/96/25/48/486962548.db2.gz FGZRMLZGGIHEMJ-LBPRGKRZSA-N 1 1 197.322 2.311 10 0 AEAEMO CO[C@@H](C)C[N@@H+](C)Cc1ccc(C)o1 679850540 486968772 /nfs/dbraw/zinc/96/87/72/486968772.db2.gz JJYSMIIQAOKRNC-JTQLQIEISA-N 1 1 197.278 2.055 10 0 AEAEMO CO[C@@H](C)C[N@@H+](CC(C)C)C1CC1 679850257 486969062 /nfs/dbraw/zinc/96/90/62/486969062.db2.gz AILKOBIQCXMAGR-JTQLQIEISA-N 1 1 185.311 2.142 10 0 AEAEMO CO[C@H](C)C[N@@H+](CC(C)C)C1CC1 679850258 486969254 /nfs/dbraw/zinc/96/92/54/486969254.db2.gz AILKOBIQCXMAGR-SNVBAGLBSA-N 1 1 185.311 2.142 10 0 AEAEMO CO[C@@H](C)C[N@@H+](C)Cc1ccsc1 679850296 486969445 /nfs/dbraw/zinc/96/94/45/486969445.db2.gz CADVQTWHZSHGHN-VIFPVBQESA-N 1 1 199.319 2.215 10 0 AEAEMO CO[C@H](C)C[N@@H+](C)Cc1ccsc1 679850295 486969552 /nfs/dbraw/zinc/96/95/52/486969552.db2.gz CADVQTWHZSHGHN-SECBINFHSA-N 1 1 199.319 2.215 10 0 AEAEMO CO[C@@H](C)C[N@@H+](C)Cc1cccs1 679851123 486970060 /nfs/dbraw/zinc/97/00/60/486970060.db2.gz PTFCHQDLHAUJMO-VIFPVBQESA-N 1 1 199.319 2.215 10 0 AEAEMO CO[C@H](C)C[N@@H+](C)Cc1ccc(C)o1 679850541 486970084 /nfs/dbraw/zinc/97/00/84/486970084.db2.gz JJYSMIIQAOKRNC-SNVBAGLBSA-N 1 1 197.278 2.055 10 0 AEAEMO CO[C@H](C)C[N@@H+](C)Cc1cccs1 679851121 486970113 /nfs/dbraw/zinc/97/01/13/486970113.db2.gz PTFCHQDLHAUJMO-SECBINFHSA-N 1 1 199.319 2.215 10 0 AEAEMO CO[C@@H](C)C[N@@H+](C)C1CCCCC1 679850546 486970128 /nfs/dbraw/zinc/97/01/28/486970128.db2.gz JUCJKKHATVAHRD-JTQLQIEISA-N 1 1 185.311 2.286 10 0 AEAEMO CCC[N@H+](CC1CC1)C[C@@H](C)OC 679850748 486970484 /nfs/dbraw/zinc/97/04/84/486970484.db2.gz LLQCTVVNKGNFFT-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[N@H+](CC1CC1)C[C@H](C)OC 679850747 486970608 /nfs/dbraw/zinc/97/06/08/486970608.db2.gz LLQCTVVNKGNFFT-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO CO[C@H](C)C[N@@H+](C)C1CCCCC1 679850547 486970773 /nfs/dbraw/zinc/97/07/73/486970773.db2.gz JUCJKKHATVAHRD-SNVBAGLBSA-N 1 1 185.311 2.286 10 0 AEAEMO CO[C@@H](C)C[N@@H+](C)[C@@H](C)C(C)(C)C 679852103 486971141 /nfs/dbraw/zinc/97/11/41/486971141.db2.gz YQPCEIRWKVOJHU-UWVGGRQHSA-N 1 1 187.327 2.388 10 0 AEAEMO CO[C@H](C)C[N@@H+](C)[C@@H](C)C(C)(C)C 679852105 486971175 /nfs/dbraw/zinc/97/11/75/486971175.db2.gz YQPCEIRWKVOJHU-ZJUUUORDSA-N 1 1 187.327 2.388 10 0 AEAEMO CO[C@@H](C)C[N@@H+](C)[C@H](C)C(C)(C)C 679852104 486971747 /nfs/dbraw/zinc/97/17/47/486971747.db2.gz YQPCEIRWKVOJHU-VHSXEESVSA-N 1 1 187.327 2.388 10 0 AEAEMO CO[C@H](C)C[N@@H+](C)[C@H](C)C(C)(C)C 679852102 486971755 /nfs/dbraw/zinc/97/17/55/486971755.db2.gz YQPCEIRWKVOJHU-NXEZZACHSA-N 1 1 187.327 2.388 10 0 AEAEMO CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H](C)OC 679851593 486971861 /nfs/dbraw/zinc/97/18/61/486971861.db2.gz FUNMKGBGGYQKNY-GMTAPVOTSA-N 1 1 185.311 2.142 10 0 AEAEMO CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H](C)OC 679851594 486971922 /nfs/dbraw/zinc/97/19/22/486971922.db2.gz FUNMKGBGGYQKNY-HBNTYKKESA-N 1 1 185.311 2.142 10 0 AEAEMO CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H](C)OC 679851595 486972045 /nfs/dbraw/zinc/97/20/45/486972045.db2.gz FUNMKGBGGYQKNY-OUAUKWLOSA-N 1 1 185.311 2.142 10 0 AEAEMO CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H](C)OC 679851592 486972104 /nfs/dbraw/zinc/97/21/04/486972104.db2.gz FUNMKGBGGYQKNY-GARJFASQSA-N 1 1 185.311 2.142 10 0 AEAEMO CO[C@H](C)C[N@H+]1C[C@H](C)CC[C@H]1C 679853004 486972434 /nfs/dbraw/zinc/97/24/34/486972434.db2.gz XEYQXQRUTYRYQR-GMTAPVOTSA-N 1 1 185.311 2.142 10 0 AEAEMO CO[C@H](C)C[N@@H+](C[C@H]1C[C@H]1C)C(C)C 679853523 486973339 /nfs/dbraw/zinc/97/33/39/486973339.db2.gz GTXVFWUGONCSFH-IJLUTSLNSA-N 1 1 199.338 2.388 10 0 AEAEMO CO[C@H](C)C[N@H+]1C[C@H](C)CC[C@@H]1C 679853006 486972529 /nfs/dbraw/zinc/97/25/29/486972529.db2.gz XEYQXQRUTYRYQR-OUAUKWLOSA-N 1 1 185.311 2.142 10 0 AEAEMO CO[C@H](C)C[N@@H+](C[C@@H]1C[C@@H]1C)C(C)C 679853527 486972607 /nfs/dbraw/zinc/97/26/07/486972607.db2.gz GTXVFWUGONCSFH-TUAOUCFPSA-N 1 1 199.338 2.388 10 0 AEAEMO CO[C@H](C)C[N@H+]1C[C@@H](C)CC[C@@H]1C 679853003 486972775 /nfs/dbraw/zinc/97/27/75/486972775.db2.gz XEYQXQRUTYRYQR-GARJFASQSA-N 1 1 185.311 2.142 10 0 AEAEMO CO[C@H](C)C[N@H+]1C[C@@H](C)CC[C@H]1C 679853005 486972925 /nfs/dbraw/zinc/97/29/25/486972925.db2.gz XEYQXQRUTYRYQR-HBNTYKKESA-N 1 1 185.311 2.142 10 0 AEAEMO CO[C@H](C)C[N@@H+](C[C@@H]1C[C@H]1C)C(C)C 679853529 486973038 /nfs/dbraw/zinc/97/30/38/486973038.db2.gz GTXVFWUGONCSFH-UTUOFQBUSA-N 1 1 199.338 2.388 10 0 AEAEMO CO[C@H](C)C[N@@H+](C[C@H]1C[C@@H]1C)C(C)C 679853525 486973266 /nfs/dbraw/zinc/97/32/66/486973266.db2.gz GTXVFWUGONCSFH-QJPTWQEYSA-N 1 1 199.338 2.388 10 0 AEAEMO CCCCC[N@H+]1CCOCC2(CC2)C1 679874878 486975204 /nfs/dbraw/zinc/97/52/04/486975204.db2.gz FUTPJMZIHDVYMS-UHFFFAOYSA-N 1 1 197.322 2.289 10 0 AEAEMO COCC[N@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 679862042 486975677 /nfs/dbraw/zinc/97/56/77/486975677.db2.gz IDJYPMGNHDLAOV-QJPTWQEYSA-N 1 1 197.322 2.143 10 0 AEAEMO COCC[N@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 679862046 486976025 /nfs/dbraw/zinc/97/60/25/486976025.db2.gz IDJYPMGNHDLAOV-SRVKXCTJSA-N 1 1 197.322 2.143 10 0 AEAEMO COCC[N@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 679862044 486976140 /nfs/dbraw/zinc/97/61/40/486976140.db2.gz IDJYPMGNHDLAOV-SDDRHHMPSA-N 1 1 197.322 2.143 10 0 AEAEMO COCC[N@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 679862047 486976162 /nfs/dbraw/zinc/97/61/62/486976162.db2.gz IDJYPMGNHDLAOV-TUAOUCFPSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[C@@H](C)CO[C@H](C)Cc1[nH]cc[nH+]1 679923414 486976817 /nfs/dbraw/zinc/97/68/17/486976817.db2.gz MNSYQUXMSWVOHP-NXEZZACHSA-N 1 1 196.294 2.403 10 0 AEAEMO CC[C@H](C)CO[C@@H](C)Cc1[nH]cc[nH+]1 679923415 486976829 /nfs/dbraw/zinc/97/68/29/486976829.db2.gz MNSYQUXMSWVOHP-UWVGGRQHSA-N 1 1 196.294 2.403 10 0 AEAEMO CC[C@H](C)CO[C@H](C)Cc1[nH]cc[nH+]1 679923416 486976856 /nfs/dbraw/zinc/97/68/56/486976856.db2.gz MNSYQUXMSWVOHP-VHSXEESVSA-N 1 1 196.294 2.403 10 0 AEAEMO CC[C@@H](C)CO[C@@H](C)Cc1[nH]cc[nH+]1 679923417 486976975 /nfs/dbraw/zinc/97/69/75/486976975.db2.gz MNSYQUXMSWVOHP-ZJUUUORDSA-N 1 1 196.294 2.403 10 0 AEAEMO CCCNCC[NH2+]C[C@H](C)CCC 161359196 486979386 /nfs/dbraw/zinc/97/93/86/486979386.db2.gz GIZAVGXENNOTHY-LLVKDONJSA-N 1 1 186.343 2.012 10 0 AEAEMO CCCNCC[NH2+]C[C@@H](C)CCC 161359304 486979727 /nfs/dbraw/zinc/97/97/27/486979727.db2.gz GIZAVGXENNOTHY-NSHDSACASA-N 1 1 186.343 2.012 10 0 AEAEMO COCC[N@@H+](C)C[C@@H]1CCCC[C@@H]1C 680326470 486981825 /nfs/dbraw/zinc/98/18/25/486981825.db2.gz FFSDQRDFLFHMMB-RYUDHWBXSA-N 1 1 199.338 2.391 10 0 AEAEMO COCC[N@@H+](C)C[C@@H]1CCCC[C@H]1C 680326464 486982051 /nfs/dbraw/zinc/98/20/51/486982051.db2.gz FFSDQRDFLFHMMB-NEPJUHHUSA-N 1 1 199.338 2.391 10 0 AEAEMO COCC[N@@H+](C)C[C@H]1CCCC[C@H]1C 680326473 486982120 /nfs/dbraw/zinc/98/21/20/486982120.db2.gz FFSDQRDFLFHMMB-VXGBXAGGSA-N 1 1 199.338 2.391 10 0 AEAEMO COCC[N@@H+](C)C[C@H]1CCCC[C@@H]1C 680326469 486982306 /nfs/dbraw/zinc/98/23/06/486982306.db2.gz FFSDQRDFLFHMMB-NWDGAFQWSA-N 1 1 199.338 2.391 10 0 AEAEMO CNC[C@@H](C)[NH2+]CC1CCC(C)CC1 162115415 486982619 /nfs/dbraw/zinc/98/26/19/486982619.db2.gz GVJOXXBAESBNDE-MOENNCHZSA-N 1 1 198.354 2.010 10 0 AEAEMO CNC[C@H](C)[NH2+]CC1CCC(C)CC1 162115281 486982815 /nfs/dbraw/zinc/98/28/15/486982815.db2.gz GVJOXXBAESBNDE-CXQJBGSLSA-N 1 1 198.354 2.010 10 0 AEAEMO CC[N@@H+](CC[C@@H]1CCCCO1)C1CC1 680371995 486983785 /nfs/dbraw/zinc/98/37/85/486983785.db2.gz RZFJGWUSAIALJV-LBPRGKRZSA-N 1 1 197.322 2.430 10 0 AEAEMO C1=CC[N@@H+](CC[C@H]2CCCCO2)CC1 680388571 486983872 /nfs/dbraw/zinc/98/38/72/486983872.db2.gz GNCGFYLFLIUOIY-GFCCVEGCSA-N 1 1 195.306 2.208 10 0 AEAEMO C[N@@H+](CC[C@@H]1CCCCO1)C1CCC1 680374708 486984081 /nfs/dbraw/zinc/98/40/81/486984081.db2.gz IROJODSZDMVLPR-LBPRGKRZSA-N 1 1 197.322 2.430 10 0 AEAEMO C[N@@H+](CC[C@@H]1CCCCO1)CC1CC1 680372100 486984099 /nfs/dbraw/zinc/98/40/99/486984099.db2.gz UFNBRSFGLFDXLG-LBPRGKRZSA-N 1 1 197.322 2.287 10 0 AEAEMO C[N@@H+](CC[C@H]1CCCCO1)CC1CC1 680372099 486984308 /nfs/dbraw/zinc/98/43/08/486984308.db2.gz UFNBRSFGLFDXLG-GFCCVEGCSA-N 1 1 197.322 2.287 10 0 AEAEMO C[N@@H+](CC[C@H]1CCCCO1)C1CCC1 680374707 486984489 /nfs/dbraw/zinc/98/44/89/486984489.db2.gz IROJODSZDMVLPR-GFCCVEGCSA-N 1 1 197.322 2.430 10 0 AEAEMO C1=CC[N@@H+](CC[C@@H]2CCCCO2)CC1 680388573 486984550 /nfs/dbraw/zinc/98/45/50/486984550.db2.gz GNCGFYLFLIUOIY-LBPRGKRZSA-N 1 1 195.306 2.208 10 0 AEAEMO CC[N@@H+](CC[C@H]1CCCCO1)C1CC1 680371994 486984588 /nfs/dbraw/zinc/98/45/88/486984588.db2.gz RZFJGWUSAIALJV-GFCCVEGCSA-N 1 1 197.322 2.430 10 0 AEAEMO CC[N@H+]1CCO[C@@H](C2CCCCC2)C1 680438291 486984855 /nfs/dbraw/zinc/98/48/55/486984855.db2.gz XZBXORCBVQSTAB-GFCCVEGCSA-N 1 1 197.322 2.287 10 0 AEAEMO CC[N@H+]1CCO[C@H](C2CCCCC2)C1 680438292 486985011 /nfs/dbraw/zinc/98/50/11/486985011.db2.gz XZBXORCBVQSTAB-LBPRGKRZSA-N 1 1 197.322 2.287 10 0 AEAEMO COCCC[N@H+]1CC[C@H](C)C(C)(C)C1 680585711 486988723 /nfs/dbraw/zinc/98/87/23/486988723.db2.gz HZCJVMGOLLOAES-NSHDSACASA-N 1 1 199.338 2.391 10 0 AEAEMO COCCC[N@H+]1CC[C@@H](C)C(C)(C)C1 680585710 486989057 /nfs/dbraw/zinc/98/90/57/486989057.db2.gz HZCJVMGOLLOAES-LLVKDONJSA-N 1 1 199.338 2.391 10 0 AEAEMO CC[N@@H+](CCC1CC1)CC1(O)CCC1 680636863 486990115 /nfs/dbraw/zinc/99/01/15/486990115.db2.gz XWDNOADORMWMSI-UHFFFAOYSA-N 1 1 197.322 2.023 10 0 AEAEMO CC[N@@H+](CCC1CC1)[C@@H]1CCCOC1 680635794 486990289 /nfs/dbraw/zinc/99/02/89/486990289.db2.gz GCXDTAVVVWSNHK-GFCCVEGCSA-N 1 1 197.322 2.287 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)CC1(O)CCC1 680650690 486990351 /nfs/dbraw/zinc/99/03/51/486990351.db2.gz NPTPZXAGWGWMJN-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CC[N@@H+](CCC1CC1)[C@H]1CCCOC1 680635796 486990393 /nfs/dbraw/zinc/99/03/93/486990393.db2.gz GCXDTAVVVWSNHK-LBPRGKRZSA-N 1 1 197.322 2.287 10 0 AEAEMO CC[N@@H+](CCCOC)CCC1CC1 680635759 486990431 /nfs/dbraw/zinc/99/04/31/486990431.db2.gz FMCNHAFDFOODPV-UHFFFAOYSA-N 1 1 185.311 2.145 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)CC1(O)CCC1 680650687 486990535 /nfs/dbraw/zinc/99/05/35/486990535.db2.gz NPTPZXAGWGWMJN-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@@H](O)C[N@H+]1CC[C@H](C(C)C)C1 166571786 486994868 /nfs/dbraw/zinc/99/48/68/486994868.db2.gz GLJPSASMMWZKNI-NWDGAFQWSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](O)C[N@H+]1CC[C@H](C(C)C)C1 166571678 486995425 /nfs/dbraw/zinc/99/54/25/486995425.db2.gz GLJPSASMMWZKNI-RYUDHWBXSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 166341647 486995556 /nfs/dbraw/zinc/99/55/56/486995556.db2.gz OJBKQASHSONFFV-VXGBXAGGSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H]1CC[N@H+](C[C@H](N)CC(C)C)C1 166341647 486995562 /nfs/dbraw/zinc/99/55/62/486995562.db2.gz OJBKQASHSONFFV-VXGBXAGGSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H]1CC[N@@H+](C[C@H](N)CC(C)C)C1 166341647 486995564 /nfs/dbraw/zinc/99/55/64/486995564.db2.gz OJBKQASHSONFFV-VXGBXAGGSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H]1CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 166341755 486995628 /nfs/dbraw/zinc/99/56/28/486995628.db2.gz OJBKQASHSONFFV-NWDGAFQWSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H]1CC[N@H+](C[C@H](N)CC(C)C)C1 166341755 486995633 /nfs/dbraw/zinc/99/56/33/486995633.db2.gz OJBKQASHSONFFV-NWDGAFQWSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H]1CC[N@@H+](C[C@H](N)CC(C)C)C1 166341755 486995634 /nfs/dbraw/zinc/99/56/34/486995634.db2.gz OJBKQASHSONFFV-NWDGAFQWSA-N 1 1 198.354 2.092 10 0 AEAEMO Cc1ccc(C[N@@H+](C)CC2CC2)cn1 680931549 487001232 /nfs/dbraw/zinc/00/12/32/487001232.db2.gz VCAWTTRMCCIHQM-UHFFFAOYSA-N 1 1 190.290 2.232 10 0 AEAEMO CCN(C)[C@@H]1CCCC[C@H]1[N@@H+](C)CC 680986336 487002411 /nfs/dbraw/zinc/00/24/11/487002411.db2.gz AEQYOBYCBZORQM-VXGBXAGGSA-N 1 1 198.354 2.201 10 0 AEAEMO CC/C=C/CC[N@H+]1CCO[C@@H](CC)C1 681018366 487004364 /nfs/dbraw/zinc/00/43/64/487004364.db2.gz ALEMNJQOPMCULX-FYJFLYSWSA-N 1 1 197.322 2.454 10 0 AEAEMO CC/C=C/CC[N@H+]1CCO[C@H](CC)C1 681018361 487004518 /nfs/dbraw/zinc/00/45/18/487004518.db2.gz ALEMNJQOPMCULX-BTDICHCPSA-N 1 1 197.322 2.454 10 0 AEAEMO CC/C=C\CC[N@H+]1CCOCC1(C)C 681018403 487004588 /nfs/dbraw/zinc/00/45/88/487004588.db2.gz AUWMXYJEXAAQOQ-WAYWQWQTSA-N 1 1 197.322 2.454 10 0 AEAEMO CC/C=C/CC[N@H+]1CCOCC1(C)C 681018401 487004947 /nfs/dbraw/zinc/00/49/47/487004947.db2.gz AUWMXYJEXAAQOQ-AATRIKPKSA-N 1 1 197.322 2.454 10 0 AEAEMO CC/C=C\CC[N@H+]1CCO[C@H](CC)C1 681018365 487004975 /nfs/dbraw/zinc/00/49/75/487004975.db2.gz ALEMNJQOPMCULX-FOQNGQEVSA-N 1 1 197.322 2.454 10 0 AEAEMO CC/C=C\CC[N@H+]1CCO[C@@H](CC)C1 681018363 487005001 /nfs/dbraw/zinc/00/50/01/487005001.db2.gz ALEMNJQOPMCULX-FJOGCWAESA-N 1 1 197.322 2.454 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C 168833926 487005278 /nfs/dbraw/zinc/00/52/78/487005278.db2.gz VAPFQLIVRMPJML-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC/C=C\CC[N@H+](C)Cc1ccon1 681020503 487005375 /nfs/dbraw/zinc/00/53/75/487005375.db2.gz CRAMHFUWTLITPW-PLNGDYQASA-N 1 1 194.278 2.463 10 0 AEAEMO CC/C=C\CC[N@@H+](C)Cc1ccon1 681020503 487005379 /nfs/dbraw/zinc/00/53/79/487005379.db2.gz CRAMHFUWTLITPW-PLNGDYQASA-N 1 1 194.278 2.463 10 0 AEAEMO CC/C=C\CC[N@@H+](C)Cc1cc[nH]n1 681020533 487005391 /nfs/dbraw/zinc/00/53/91/487005391.db2.gz FEJCXFCSFFTGFS-PLNGDYQASA-N 1 1 193.294 2.198 10 0 AEAEMO CC/C=C\CC[N@@H+](C[C@@H](C)O)C(C)C 681021917 487005458 /nfs/dbraw/zinc/00/54/58/487005458.db2.gz VIXRBTRPIATLQC-ZHRWSRJISA-N 1 1 199.338 2.434 10 0 AEAEMO CC/C=C/CC[N@H+](C)Cc1ccon1 681020504 487005532 /nfs/dbraw/zinc/00/55/32/487005532.db2.gz CRAMHFUWTLITPW-SNAWJCMRSA-N 1 1 194.278 2.463 10 0 AEAEMO CC/C=C/CC[N@@H+](C)Cc1ccon1 681020504 487005537 /nfs/dbraw/zinc/00/55/37/487005537.db2.gz CRAMHFUWTLITPW-SNAWJCMRSA-N 1 1 194.278 2.463 10 0 AEAEMO CC/C=C/CC[N@@H+](C)C[C@H]1CCCO1 681020197 487005555 /nfs/dbraw/zinc/00/55/55/487005555.db2.gz WHHNSOKDJOWXKC-ZYOFXKKJSA-N 1 1 197.322 2.454 10 0 AEAEMO CC/C=C\CC[N@@H+](C[C@H](C)O)C(C)C 681021914 487005674 /nfs/dbraw/zinc/00/56/74/487005674.db2.gz VIXRBTRPIATLQC-DGMVEKRQSA-N 1 1 199.338 2.434 10 0 AEAEMO CC/C=C\CC[N@@H+](C)C[C@H]1CCCO1 681020195 487005711 /nfs/dbraw/zinc/00/57/11/487005711.db2.gz WHHNSOKDJOWXKC-QMAVJUDZSA-N 1 1 197.322 2.454 10 0 AEAEMO CC/C=C/CC[N@@H+](C[C@H](C)O)C(C)C 681021916 487005747 /nfs/dbraw/zinc/00/57/47/487005747.db2.gz VIXRBTRPIATLQC-SYTKJHMZSA-N 1 1 199.338 2.434 10 0 AEAEMO CC/C=C\CC[N@H+]1CCCO[C@H](C)C1 681020626 487005807 /nfs/dbraw/zinc/00/58/07/487005807.db2.gz ARBHCOIAWLNSOA-QMAVJUDZSA-N 1 1 197.322 2.454 10 0 AEAEMO CC/C=C/CC[N@@H+](C[C@@H](C)O)C(C)C 681021915 487005984 /nfs/dbraw/zinc/00/59/84/487005984.db2.gz VIXRBTRPIATLQC-NNNHXZLVSA-N 1 1 199.338 2.434 10 0 AEAEMO CC/C=C/CC[N@@H+](C)C[C@@H]1CCCO1 681020194 487005988 /nfs/dbraw/zinc/00/59/88/487005988.db2.gz WHHNSOKDJOWXKC-ITKZLYELSA-N 1 1 197.322 2.454 10 0 AEAEMO CC/C=C\CC[N@@H+](C)C[C@@H]1CCCO1 681020196 487006006 /nfs/dbraw/zinc/00/60/06/487006006.db2.gz WHHNSOKDJOWXKC-RXNFCKPNSA-N 1 1 197.322 2.454 10 0 AEAEMO CC/C=C/CC[N@H+]1CCCO[C@@H](C)C1 681020624 487006010 /nfs/dbraw/zinc/00/60/10/487006010.db2.gz ARBHCOIAWLNSOA-ITKZLYELSA-N 1 1 197.322 2.454 10 0 AEAEMO CC/C=C\CC[N@H+]1CCCO[C@@H](C)C1 681020627 487006051 /nfs/dbraw/zinc/00/60/51/487006051.db2.gz ARBHCOIAWLNSOA-RXNFCKPNSA-N 1 1 197.322 2.454 10 0 AEAEMO CC/C=C/CC[N@@H+](C)Cc1cc[nH]n1 681020534 487006058 /nfs/dbraw/zinc/00/60/58/487006058.db2.gz FEJCXFCSFFTGFS-SNAWJCMRSA-N 1 1 193.294 2.198 10 0 AEAEMO CC/C=C/CC[N@H+]1CCCO[C@H](C)C1 681020629 487006124 /nfs/dbraw/zinc/00/61/24/487006124.db2.gz ARBHCOIAWLNSOA-ZYOFXKKJSA-N 1 1 197.322 2.454 10 0 AEAEMO C[C@H](O)CC[N@@H+](C)[C@H]1CCC(C)(C)C1 681080944 487008316 /nfs/dbraw/zinc/00/83/16/487008316.db2.gz SENDQJMLGPPKEL-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H](CO)C[N@@H+](C)[C@@H]1CCC(C)(C)C1 681080621 487008374 /nfs/dbraw/zinc/00/83/74/487008374.db2.gz FPFMKWGRNXDKRA-WDEREUQCSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@@H](CO)C[N@@H+](C)[C@@H]1CCC(C)(C)C1 681080616 487008562 /nfs/dbraw/zinc/00/85/62/487008562.db2.gz FPFMKWGRNXDKRA-GHMZBOCLSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H](CO)C[N@@H+](C)[C@H]1CCC(C)(C)C1 681080620 487008582 /nfs/dbraw/zinc/00/85/82/487008582.db2.gz FPFMKWGRNXDKRA-QWRGUYRKSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@@H](O)CC[N@@H+](C)[C@H]1CCC(C)(C)C1 681080943 487008605 /nfs/dbraw/zinc/00/86/05/487008605.db2.gz SENDQJMLGPPKEL-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H](O)CC[N@@H+](C)[C@@H]1CCC(C)(C)C1 681080945 487008693 /nfs/dbraw/zinc/00/86/93/487008693.db2.gz SENDQJMLGPPKEL-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H](CO)C[N@@H+](C)[C@H]1CCC(C)(C)C1 681080618 487008775 /nfs/dbraw/zinc/00/87/75/487008775.db2.gz FPFMKWGRNXDKRA-MNOVXSKESA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@@H](O)CC[N@@H+](C)[C@@H]1CCC(C)(C)C1 681080942 487008818 /nfs/dbraw/zinc/00/88/18/487008818.db2.gz SENDQJMLGPPKEL-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@@H+](C)Cc1ccc(C)cc1OC 199966344 487016178 /nfs/dbraw/zinc/01/61/78/487016178.db2.gz QHTMRXFDXSCMPV-UHFFFAOYSA-N 1 1 193.290 2.455 10 0 AEAEMO CC[N@@H+](C)CCc1ccc(C)cc1 199968232 487016270 /nfs/dbraw/zinc/01/62/70/487016270.db2.gz OHJHPURYWJSFHL-UHFFFAOYSA-N 1 1 177.291 2.489 10 0 AEAEMO C[N@@H+](CC1CC1)C[C@@H]1CCC(C)(C)O1 681399741 487020897 /nfs/dbraw/zinc/02/08/97/487020897.db2.gz QLNSNNKPYYGAHI-NSHDSACASA-N 1 1 197.322 2.286 10 0 AEAEMO C[N@@H+](CC1CC1)C[C@H]1CCC(C)(C)O1 681399740 487021112 /nfs/dbraw/zinc/02/11/12/487021112.db2.gz QLNSNNKPYYGAHI-LLVKDONJSA-N 1 1 197.322 2.286 10 0 AEAEMO CC(C)C[C@@H](CO)[N@@H+](C)CC1CCC1 681466340 487022763 /nfs/dbraw/zinc/02/27/63/487022763.db2.gz ZQANOPYLFAUFKF-LBPRGKRZSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)C[C@@H](CO)[N@@H+](C)CCC1CC1 681466342 487022942 /nfs/dbraw/zinc/02/29/42/487022942.db2.gz ZQATTWWFLSIAPR-LBPRGKRZSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)C[C@H](CO)[N@@H+](C)CCC1CC1 681466341 487022977 /nfs/dbraw/zinc/02/29/77/487022977.db2.gz ZQATTWWFLSIAPR-GFCCVEGCSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)C[C@H](CO)[N@@H+](C)CC1CCC1 681466339 487023235 /nfs/dbraw/zinc/02/32/35/487023235.db2.gz ZQANOPYLFAUFKF-GFCCVEGCSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)=CC[N@H+](C)[C@@H](CO)CC(C)C 681465495 487023336 /nfs/dbraw/zinc/02/33/36/487023336.db2.gz BOVMWBOMEIYOPZ-GFCCVEGCSA-N 1 1 199.338 2.291 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)CC1CC1 213111296 487023491 /nfs/dbraw/zinc/02/34/91/487023491.db2.gz KDQGWEUMHNRFNY-VIFPVBQESA-N 1 1 155.285 2.374 10 0 AEAEMO CC(C)=CC[N@H+](C)[C@H](CO)CC(C)C 681465496 487023492 /nfs/dbraw/zinc/02/34/92/487023492.db2.gz BOVMWBOMEIYOPZ-LBPRGKRZSA-N 1 1 199.338 2.291 10 0 AEAEMO CCN(C)[C@H]1CCCC[C@H]1[N@@H+](C)CC 213013343 487023576 /nfs/dbraw/zinc/02/35/76/487023576.db2.gz AEQYOBYCBZORQM-TXEJJXNPSA-N 1 1 198.354 2.201 10 0 AEAEMO CCN(C)[C@@H]1CCCC[C@@H]1[N@H+](C)CC 213013343 487023579 /nfs/dbraw/zinc/02/35/79/487023579.db2.gz AEQYOBYCBZORQM-TXEJJXNPSA-N 1 1 198.354 2.201 10 0 AEAEMO CCN(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)CC 213013343 487023582 /nfs/dbraw/zinc/02/35/82/487023582.db2.gz AEQYOBYCBZORQM-TXEJJXNPSA-N 1 1 198.354 2.201 10 0 AEAEMO COCC1=CC[N@@H+](CCC2CC2)CC1 681471663 487024037 /nfs/dbraw/zinc/02/40/37/487024037.db2.gz HJCFZHISNPGFMA-UHFFFAOYSA-N 1 1 195.306 2.065 10 0 AEAEMO CC(C)C[C@H]1CCCCC[N@H+]1CCN 214123879 487024056 /nfs/dbraw/zinc/02/40/56/487024056.db2.gz FHTWFLLYLZYBEG-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO COCC1=CC[N@@H+](CC2CCC2)CC1 681471524 487024249 /nfs/dbraw/zinc/02/42/49/487024249.db2.gz FVYPZAIESLODEQ-UHFFFAOYSA-N 1 1 195.306 2.065 10 0 AEAEMO CC(C)C[C@@H]1CCCCC[N@H+]1CCN 214123825 487024487 /nfs/dbraw/zinc/02/44/87/487024487.db2.gz FHTWFLLYLZYBEG-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)CC[N@H+]1CCO[C@@H](C2CC2)C1 681594860 487027011 /nfs/dbraw/zinc/02/70/11/487027011.db2.gz ZQWOCEQAOTYZIK-GFCCVEGCSA-N 1 1 197.322 2.143 10 0 AEAEMO CCCCC[N@H+]1CCO[C@@H](C2CC2)C1 681594546 487027035 /nfs/dbraw/zinc/02/70/35/487027035.db2.gz WHYZMTHSRNTTKD-GFCCVEGCSA-N 1 1 197.322 2.287 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCO[C@H](C2CC2)C1 681594663 487027077 /nfs/dbraw/zinc/02/70/77/487027077.db2.gz GHFVHXLIQDZWSX-JQWIXIFHSA-N 1 1 197.322 2.143 10 0 AEAEMO CCCCC[N@H+]1CCO[C@H](C2CC2)C1 681594547 487027376 /nfs/dbraw/zinc/02/73/76/487027376.db2.gz WHYZMTHSRNTTKD-LBPRGKRZSA-N 1 1 197.322 2.287 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CCO[C@H](C2CC2)C1 681594664 487027463 /nfs/dbraw/zinc/02/74/63/487027463.db2.gz GHFVHXLIQDZWSX-PWSUYJOCSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCO[C@@H](C2CC2)C1 681594662 487027521 /nfs/dbraw/zinc/02/75/21/487027521.db2.gz GHFVHXLIQDZWSX-CMPLNLGQSA-N 1 1 197.322 2.143 10 0 AEAEMO CC(C)CC[N@H+]1CCO[C@H](C2CC2)C1 681594861 487027616 /nfs/dbraw/zinc/02/76/16/487027616.db2.gz ZQWOCEQAOTYZIK-LBPRGKRZSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CCO[C@@H](C2CC2)C1 681594665 487027741 /nfs/dbraw/zinc/02/77/41/487027741.db2.gz GHFVHXLIQDZWSX-ZYHUDNBSSA-N 1 1 197.322 2.143 10 0 AEAEMO CCC[C@H](C)[NH+]1CCC(N(C)C)CC1 681669746 487029478 /nfs/dbraw/zinc/02/94/78/487029478.db2.gz ZWWCUQHXPRWBBU-NSHDSACASA-N 1 1 198.354 2.201 10 0 AEAEMO CCC[C@@H](C)[NH+]1CCC(N(C)C)CC1 681669745 487029490 /nfs/dbraw/zinc/02/94/90/487029490.db2.gz ZWWCUQHXPRWBBU-LLVKDONJSA-N 1 1 198.354 2.201 10 0 AEAEMO CC(C)C[C@H](N)C[N@@H+]1C[C@@H](C)C[C@@H]1C 222608528 487033972 /nfs/dbraw/zinc/03/39/72/487033972.db2.gz VTZWUZLBKJFOAC-SRVKXCTJSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@H](N)C[N@H+]1C[C@@H](C)C[C@@H]1C 222608528 487033979 /nfs/dbraw/zinc/03/39/79/487033979.db2.gz VTZWUZLBKJFOAC-SRVKXCTJSA-N 1 1 198.354 2.090 10 0 AEAEMO CCOCCC[N@H+]1CC[C@@H]2CCC[C@@H]21 681711002 487034909 /nfs/dbraw/zinc/03/49/09/487034909.db2.gz AQKWYNAMWCMYIS-RYUDHWBXSA-N 1 1 197.322 2.287 10 0 AEAEMO CCOCCC[N@H+]1CC[C@@H]2CCC[C@H]21 681711000 487034946 /nfs/dbraw/zinc/03/49/46/487034946.db2.gz AQKWYNAMWCMYIS-NWDGAFQWSA-N 1 1 197.322 2.287 10 0 AEAEMO CCCC[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 681709932 487034957 /nfs/dbraw/zinc/03/49/57/487034957.db2.gz QULHXEHJHSXDNH-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CCCC[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 681709931 487035027 /nfs/dbraw/zinc/03/50/27/487035027.db2.gz QULHXEHJHSXDNH-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CCOCCC[N@H+]1CC[C@H]2CCC[C@@H]21 681710997 487035090 /nfs/dbraw/zinc/03/50/90/487035090.db2.gz AQKWYNAMWCMYIS-NEPJUHHUSA-N 1 1 197.322 2.287 10 0 AEAEMO CCCC[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 681709934 487035112 /nfs/dbraw/zinc/03/51/12/487035112.db2.gz QULHXEHJHSXDNH-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CCCC[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 681709933 487035557 /nfs/dbraw/zinc/03/55/57/487035557.db2.gz QULHXEHJHSXDNH-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CCOCCC[N@H+]1CC[C@H]2CCC[C@H]21 681711003 487035666 /nfs/dbraw/zinc/03/56/66/487035666.db2.gz AQKWYNAMWCMYIS-VXGBXAGGSA-N 1 1 197.322 2.287 10 0 AEAEMO CC(C)C[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 681711095 487035925 /nfs/dbraw/zinc/03/59/25/487035925.db2.gz OOTUIKINMFFSGW-VXGBXAGGSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)C[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 681711094 487036677 /nfs/dbraw/zinc/03/66/77/487036677.db2.gz OOTUIKINMFFSGW-RYUDHWBXSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)C[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 681711090 487036686 /nfs/dbraw/zinc/03/66/86/487036686.db2.gz OOTUIKINMFFSGW-NEPJUHHUSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)C[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 681711092 487036767 /nfs/dbraw/zinc/03/67/67/487036767.db2.gz OOTUIKINMFFSGW-NWDGAFQWSA-N 1 1 199.338 2.125 10 0 AEAEMO C[N@H+](Cc1cncc(F)c1)CC1CC1 681751570 487038220 /nfs/dbraw/zinc/03/82/20/487038220.db2.gz FDQYRYQSDSABJX-UHFFFAOYSA-N 1 1 194.253 2.063 10 0 AEAEMO CC(C)CCC[N@@H+](C)Cc1cc[nH]n1 681755184 487038572 /nfs/dbraw/zinc/03/85/72/487038572.db2.gz QBWWTSDRCHRMJX-UHFFFAOYSA-N 1 1 195.310 2.278 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CC[C@](O)(CC)C1 681755243 487038689 /nfs/dbraw/zinc/03/86/89/487038689.db2.gz RLRLPEWCLHQSQC-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CC[C@@](O)(CC)C1 681755240 487038711 /nfs/dbraw/zinc/03/87/11/487038711.db2.gz RLRLPEWCLHQSQC-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@@](O)(CC)C1 681755242 487038761 /nfs/dbraw/zinc/03/87/61/487038761.db2.gz RLRLPEWCLHQSQC-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@](O)(CC)C1 681755241 487038800 /nfs/dbraw/zinc/03/88/00/487038800.db2.gz RLRLPEWCLHQSQC-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@H](C)CN1C[C@H](C)[NH2+][C@@H](C)C1 225152678 487041102 /nfs/dbraw/zinc/04/11/02/487041102.db2.gz UTFBZVKLWZHBKN-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO COCCC[N@H+]1CCC[C@@H](C(C)C)C1 682039173 487041741 /nfs/dbraw/zinc/04/17/41/487041741.db2.gz HGUYCDVFNQFEHW-GFCCVEGCSA-N 1 1 199.338 2.391 10 0 AEAEMO CC[C@](C)(O)C[N@H+]1CCCC[C@H](C)C1 682031577 487041903 /nfs/dbraw/zinc/04/19/03/487041903.db2.gz LPOCWGQPEJMRLG-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@](C)(O)C[N@H+]1CCCC[C@H](C)C1 682031576 487042002 /nfs/dbraw/zinc/04/20/02/487042002.db2.gz LPOCWGQPEJMRLG-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@](C)(O)C[N@H+]1CCCC[C@@H](C)C1 682031575 487042024 /nfs/dbraw/zinc/04/20/24/487042024.db2.gz LPOCWGQPEJMRLG-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@](C)(O)C[N@H+]1CCCC[C@@H](C)C1 682031578 487042068 /nfs/dbraw/zinc/04/20/68/487042068.db2.gz LPOCWGQPEJMRLG-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO COCCC[N@H+]1CCC[C@H](C(C)C)C1 682039174 487042102 /nfs/dbraw/zinc/04/21/02/487042102.db2.gz HGUYCDVFNQFEHW-LBPRGKRZSA-N 1 1 199.338 2.391 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)Cc1cnccn1 682070162 487042584 /nfs/dbraw/zinc/04/25/84/487042584.db2.gz WEKLFWXZKIVDJP-JTQLQIEISA-N 1 1 193.294 2.097 10 0 AEAEMO C[C@H](O)CC[N@@H+](C)[C@@H](C)c1ccco1 682070922 487042611 /nfs/dbraw/zinc/04/26/11/487042611.db2.gz GPZIGNHQFKZBEZ-UWVGGRQHSA-N 1 1 197.278 2.043 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCO[C@H](C2CC2)C1 682072542 487042625 /nfs/dbraw/zinc/04/26/25/487042625.db2.gz JMWAXVAWLMDKBG-JQWIXIFHSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@H](O)CC[N@@H+](C)[C@H](C)c1ccco1 682070926 487042693 /nfs/dbraw/zinc/04/26/93/487042693.db2.gz GPZIGNHQFKZBEZ-VHSXEESVSA-N 1 1 197.278 2.043 10 0 AEAEMO C[C@@H](O)CC[N@@H+](C)[C@H](C)c1ccco1 682070919 487042796 /nfs/dbraw/zinc/04/27/96/487042796.db2.gz GPZIGNHQFKZBEZ-NXEZZACHSA-N 1 1 197.278 2.043 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCO[C@@H](C2CC2)C1 682072541 487042916 /nfs/dbraw/zinc/04/29/16/487042916.db2.gz JMWAXVAWLMDKBG-CMPLNLGQSA-N 1 1 197.322 2.286 10 0 AEAEMO COC[C@@H](C)C[N@@H+](C)[C@H](C)C1(C)CC1 682071086 487043094 /nfs/dbraw/zinc/04/30/94/487043094.db2.gz GEHLCFOCDHQIJH-WDEREUQCSA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@H](C)C[N@@H+](C)[C@@H](C)C1(C)CC1 682071084 487043141 /nfs/dbraw/zinc/04/31/41/487043141.db2.gz GEHLCFOCDHQIJH-MNOVXSKESA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@@H](C)C[N@@H+](C)[C@@H](C)C1(C)CC1 682071085 487043163 /nfs/dbraw/zinc/04/31/63/487043163.db2.gz GEHLCFOCDHQIJH-QWRGUYRKSA-N 1 1 199.338 2.389 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCO[C@@H](C2CC2)C1 682072545 487043183 /nfs/dbraw/zinc/04/31/83/487043183.db2.gz JMWAXVAWLMDKBG-ZYHUDNBSSA-N 1 1 197.322 2.286 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)Cc1cnccn1 682070163 487043231 /nfs/dbraw/zinc/04/32/31/487043231.db2.gz WEKLFWXZKIVDJP-SNVBAGLBSA-N 1 1 193.294 2.097 10 0 AEAEMO COC[C@H](C)C[N@@H+](C)[C@H](C)C1(C)CC1 682071083 487043381 /nfs/dbraw/zinc/04/33/81/487043381.db2.gz GEHLCFOCDHQIJH-GHMZBOCLSA-N 1 1 199.338 2.389 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCO[C@H](C2CC2)C1 682072543 487043428 /nfs/dbraw/zinc/04/34/28/487043428.db2.gz JMWAXVAWLMDKBG-PWSUYJOCSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H](c1ccco1)[N@H+](C)CC[C@@H](C)O 682070929 487043441 /nfs/dbraw/zinc/04/34/41/487043441.db2.gz GPZIGNHQFKZBEZ-ZJUUUORDSA-N 1 1 197.278 2.043 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)O)C1 682077651 487043931 /nfs/dbraw/zinc/04/39/31/487043931.db2.gz QLOANCCZJMWEJR-TUAOUCFPSA-N 1 1 199.338 2.124 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@H]([C@H]2CCOC2)C1 682075447 487044112 /nfs/dbraw/zinc/04/41/12/487044112.db2.gz RSZGULLRABKOLX-SRVKXCTJSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 682075442 487044316 /nfs/dbraw/zinc/04/43/16/487044316.db2.gz RSZGULLRABKOLX-QJPTWQEYSA-N 1 1 197.322 2.143 10 0 AEAEMO COC[C@H](C)C[N@H+]1CCC[C@@H](C)[C@@H]1C 682153582 487048080 /nfs/dbraw/zinc/04/80/80/487048080.db2.gz LWHQGRWUVYAULW-UTUOFQBUSA-N 1 1 199.338 2.389 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CCC[C@@H]([C@H](C)O)C1 682077649 487044438 /nfs/dbraw/zinc/04/44/38/487044438.db2.gz QLOANCCZJMWEJR-SDDRHHMPSA-N 1 1 199.338 2.124 10 0 AEAEMO C[N@@H+](CCOCC1CCC1)C1CCC1 682074834 487044461 /nfs/dbraw/zinc/04/44/61/487044461.db2.gz FVTALTASIKEZMP-UHFFFAOYSA-N 1 1 197.322 2.287 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 682075446 487044473 /nfs/dbraw/zinc/04/44/73/487044473.db2.gz RSZGULLRABKOLX-SDDRHHMPSA-N 1 1 197.322 2.143 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CCC[C@@H]([C@@H](C)O)C1 682077648 487044510 /nfs/dbraw/zinc/04/45/10/487044510.db2.gz QLOANCCZJMWEJR-QJPTWQEYSA-N 1 1 199.338 2.124 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 682075452 487044606 /nfs/dbraw/zinc/04/46/06/487044606.db2.gz RSZGULLRABKOLX-TUAOUCFPSA-N 1 1 197.322 2.143 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CCC[C@H]([C@H](C)O)C1 682077650 487044726 /nfs/dbraw/zinc/04/47/26/487044726.db2.gz QLOANCCZJMWEJR-SRVKXCTJSA-N 1 1 199.338 2.124 10 0 AEAEMO C[C@@H]1C[N@@H+](CCC2CC2)[C@H](C)[C@@H](C)O1 682091634 487045155 /nfs/dbraw/zinc/04/51/55/487045155.db2.gz YBVCGRPXVPRDQB-GMTAPVOTSA-N 1 1 197.322 2.284 10 0 AEAEMO CC(C)=CC[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C 682091438 487045174 /nfs/dbraw/zinc/04/51/74/487045174.db2.gz PRMANCFRKYIJEO-QJPTWQEYSA-N 1 1 197.322 2.450 10 0 AEAEMO CC(C)=CC[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C 682091440 487045273 /nfs/dbraw/zinc/04/52/73/487045273.db2.gz PRMANCFRKYIJEO-SRVKXCTJSA-N 1 1 197.322 2.450 10 0 AEAEMO C[C@@H]1O[C@H](C)C[N@@H+](CC2CCC2)[C@@H]1C 682092127 487045377 /nfs/dbraw/zinc/04/53/77/487045377.db2.gz WPHZVLYJUOITBH-MXWKQRLJSA-N 1 1 197.322 2.284 10 0 AEAEMO C[C@@H]1O[C@H](C)C[N@@H+](CCC2CC2)[C@@H]1C 682091635 487045631 /nfs/dbraw/zinc/04/56/31/487045631.db2.gz YBVCGRPXVPRDQB-MXWKQRLJSA-N 1 1 197.322 2.284 10 0 AEAEMO CC(C)=CC[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C 682091441 487045670 /nfs/dbraw/zinc/04/56/70/487045670.db2.gz PRMANCFRKYIJEO-TUAOUCFPSA-N 1 1 197.322 2.450 10 0 AEAEMO C[C@@H]1O[C@H](C)C[N@@H+](CC2CCC2)[C@H]1C 682092129 487045747 /nfs/dbraw/zinc/04/57/47/487045747.db2.gz WPHZVLYJUOITBH-VWYCJHECSA-N 1 1 197.322 2.284 10 0 AEAEMO CC(C)=CC[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C 682091439 487045558 /nfs/dbraw/zinc/04/55/58/487045558.db2.gz PRMANCFRKYIJEO-SDDRHHMPSA-N 1 1 197.322 2.450 10 0 AEAEMO C[C@@H]1O[C@H](C)C[N@@H+](CCC2CC2)[C@H]1C 682091637 487045855 /nfs/dbraw/zinc/04/58/55/487045855.db2.gz YBVCGRPXVPRDQB-VWYCJHECSA-N 1 1 197.322 2.284 10 0 AEAEMO CC/C=C\CC[N@@H+](C)CC1(CO)CC1 682089955 487046006 /nfs/dbraw/zinc/04/60/06/487046006.db2.gz KKDPFFBNDNHFKN-PLNGDYQASA-N 1 1 197.322 2.047 10 0 AEAEMO C[C@H]1[C@@H](C)O[C@H](C)C[N@H+]1CC1CCC1 682092128 487046105 /nfs/dbraw/zinc/04/61/05/487046105.db2.gz WPHZVLYJUOITBH-OUAUKWLOSA-N 1 1 197.322 2.284 10 0 AEAEMO CC/C=C/CC[N@@H+](C)CC1(CO)CC1 682089957 487046156 /nfs/dbraw/zinc/04/61/56/487046156.db2.gz KKDPFFBNDNHFKN-SNAWJCMRSA-N 1 1 197.322 2.047 10 0 AEAEMO C[C@@H]1C[N@@H+](CC2CCC2)[C@H](C)[C@@H](C)O1 682092126 487046205 /nfs/dbraw/zinc/04/62/05/487046205.db2.gz WPHZVLYJUOITBH-GMTAPVOTSA-N 1 1 197.322 2.284 10 0 AEAEMO C[C@H]1[C@@H](C)O[C@H](C)C[N@H+]1CCC1CC1 682091636 487046225 /nfs/dbraw/zinc/04/62/25/487046225.db2.gz YBVCGRPXVPRDQB-OUAUKWLOSA-N 1 1 197.322 2.284 10 0 AEAEMO CC[C@@H]1CCC[N@@H+](C[C@@H](C)COC)C1 682150622 487046692 /nfs/dbraw/zinc/04/66/92/487046692.db2.gz CRNQWIHMUXYKHA-VXGBXAGGSA-N 1 1 199.338 2.391 10 0 AEAEMO COC[C@@H](C)C[N@H+]1CCC[C@@H](C)CC1 682151429 487046709 /nfs/dbraw/zinc/04/67/09/487046709.db2.gz GKLDPZOTLLQQMF-NEPJUHHUSA-N 1 1 199.338 2.391 10 0 AEAEMO COC[C@@H](C)C[N@@H+](CC1CC1)C(C)C 682151264 487046774 /nfs/dbraw/zinc/04/67/74/487046774.db2.gz LDRBFVQOMRWJJH-NSHDSACASA-N 1 1 199.338 2.389 10 0 AEAEMO CC[C@H]1CCC[N@@H+](C[C@H](C)COC)C1 682150619 487046786 /nfs/dbraw/zinc/04/67/86/487046786.db2.gz CRNQWIHMUXYKHA-RYUDHWBXSA-N 1 1 199.338 2.391 10 0 AEAEMO COC[C@H](C)C[N@H+]1CCC[C@H](C)CC1 682151431 487046817 /nfs/dbraw/zinc/04/68/17/487046817.db2.gz GKLDPZOTLLQQMF-NWDGAFQWSA-N 1 1 199.338 2.391 10 0 AEAEMO COC[C@H](C)C[N@@H+](CC1CC1)C(C)C 682151263 487046824 /nfs/dbraw/zinc/04/68/24/487046824.db2.gz LDRBFVQOMRWJJH-LLVKDONJSA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@H](C)C[N@H+]1CCC[C@@H](C)CC1 682151434 487046871 /nfs/dbraw/zinc/04/68/71/487046871.db2.gz GKLDPZOTLLQQMF-VXGBXAGGSA-N 1 1 199.338 2.391 10 0 AEAEMO CCC[N@@H+](CC)[C@@H]1CCCC[C@H]1O 226240273 487047032 /nfs/dbraw/zinc/04/70/32/487047032.db2.gz NEKDKCQTDPVQBE-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@H]1CCC[N@@H+](C[C@@H](C)COC)C1 682150613 487047102 /nfs/dbraw/zinc/04/71/02/487047102.db2.gz CRNQWIHMUXYKHA-NEPJUHHUSA-N 1 1 199.338 2.391 10 0 AEAEMO CC[C@@H]1CCC[N@@H+](C[C@H](C)COC)C1 682150615 487047211 /nfs/dbraw/zinc/04/72/11/487047211.db2.gz CRNQWIHMUXYKHA-NWDGAFQWSA-N 1 1 199.338 2.391 10 0 AEAEMO COC[C@H](C)C[N@@H+](CC(C)C)C1CC1 682151124 487047235 /nfs/dbraw/zinc/04/72/35/487047235.db2.gz JCXFDLGBZHKJBP-LLVKDONJSA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@@H](C)C[N@@H+](CC(C)C)C1CC1 682151126 487047274 /nfs/dbraw/zinc/04/72/74/487047274.db2.gz JCXFDLGBZHKJBP-NSHDSACASA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@@H](C)C[N@H+]1CCC[C@H](C)CC1 682151432 487047282 /nfs/dbraw/zinc/04/72/82/487047282.db2.gz GKLDPZOTLLQQMF-RYUDHWBXSA-N 1 1 199.338 2.391 10 0 AEAEMO COC[C@@H](C)C[N@H+]1C[C@@H](C)C[C@@H](C)C1 682151587 487047813 /nfs/dbraw/zinc/04/78/13/487047813.db2.gz JYQQAGFJFSGVNL-TUAOUCFPSA-N 1 1 199.338 2.247 10 0 AEAEMO CCCC[N@@H+](CC)[C@@H]1CCC[C@H]1O 226276585 487047865 /nfs/dbraw/zinc/04/78/65/487047865.db2.gz MUHBKGVOVRBSTC-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO COC[C@H](C)C[N@H+]1CCC[C@@H]1C1CC1 682154197 487047878 /nfs/dbraw/zinc/04/78/78/487047878.db2.gz YUEXMGNIQSFFHZ-ZYHUDNBSSA-N 1 1 197.322 2.143 10 0 AEAEMO CCC[N@H+](CC1CC1)C[C@@H](C)COC 682152231 487047893 /nfs/dbraw/zinc/04/78/93/487047893.db2.gz RWCBXXIBJAQWQH-LLVKDONJSA-N 1 1 199.338 2.391 10 0 AEAEMO COC[C@H](C)C[N@H+]1CCC[C@H]1C(C)C 682152359 487047928 /nfs/dbraw/zinc/04/79/28/487047928.db2.gz ZSPCEXPZFLKQBI-NEPJUHHUSA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@H](C)C[N@H+]1CCC[C@@H]1C(C)C 682152362 487047940 /nfs/dbraw/zinc/04/79/40/487047940.db2.gz ZSPCEXPZFLKQBI-VXGBXAGGSA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@@H](C)C[N@H+]1CCC[C@H]1C(C)C 682152361 487047959 /nfs/dbraw/zinc/04/79/59/487047959.db2.gz ZSPCEXPZFLKQBI-RYUDHWBXSA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@@H](C)C[N@H+]1CCC[C@H]1C1CC1 682154195 487047976 /nfs/dbraw/zinc/04/79/76/487047976.db2.gz YUEXMGNIQSFFHZ-JQWIXIFHSA-N 1 1 197.322 2.143 10 0 AEAEMO COC[C@H](C)C[N@H+]1CCC[C@H]1C1CC1 682154196 487048018 /nfs/dbraw/zinc/04/80/18/487048018.db2.gz YUEXMGNIQSFFHZ-PWSUYJOCSA-N 1 1 197.322 2.143 10 0 AEAEMO COC[C@H](C)C[N@H+]1C[C@@H](C)C[C@@H](C)C1 682151581 487048063 /nfs/dbraw/zinc/04/80/63/487048063.db2.gz JYQQAGFJFSGVNL-GRYCIOLGSA-N 1 1 199.338 2.247 10 0 AEAEMO COC[C@@H](C)C[N@H+]1CCC[C@@H]1C1CC1 682154194 487048094 /nfs/dbraw/zinc/04/80/94/487048094.db2.gz YUEXMGNIQSFFHZ-CMPLNLGQSA-N 1 1 197.322 2.143 10 0 AEAEMO COC[C@H](C)C[N@H+]1CCC[C@H](C)[C@H]1C 682153580 487048101 /nfs/dbraw/zinc/04/81/01/487048101.db2.gz LWHQGRWUVYAULW-GRYCIOLGSA-N 1 1 199.338 2.389 10 0 AEAEMO CCC[N@H+](CC1CC1)C[C@H](C)COC 682152233 487048108 /nfs/dbraw/zinc/04/81/08/487048108.db2.gz RWCBXXIBJAQWQH-NSHDSACASA-N 1 1 199.338 2.391 10 0 AEAEMO COC[C@H](C)C[N@H+]1CCC[C@H](C)[C@@H]1C 682153583 487048120 /nfs/dbraw/zinc/04/81/20/487048120.db2.gz LWHQGRWUVYAULW-WOPDTQHZSA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@H](C)C[N@H+]1CCC[C@@H](C)[C@H]1C 682153581 487048149 /nfs/dbraw/zinc/04/81/49/487048149.db2.gz LWHQGRWUVYAULW-IJLUTSLNSA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@H](C)C[N@H+]1CCCC(C)(C)C1 682152661 487048206 /nfs/dbraw/zinc/04/82/06/487048206.db2.gz VBMHZWJAPHJZEP-LLVKDONJSA-N 1 1 199.338 2.391 10 0 AEAEMO COC[C@@H](C)C[N@H+]1CCC[C@@H]1C(C)C 682152360 487048257 /nfs/dbraw/zinc/04/82/57/487048257.db2.gz ZSPCEXPZFLKQBI-NWDGAFQWSA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@@H](C)C[N@H+]1CCCC(C)(C)C1 682152662 487048268 /nfs/dbraw/zinc/04/82/68/487048268.db2.gz VBMHZWJAPHJZEP-NSHDSACASA-N 1 1 199.338 2.391 10 0 AEAEMO CC[C@H](C)C[N@@H+](CC)[C@@H]1CCC[C@H]1O 226288749 487048507 /nfs/dbraw/zinc/04/85/07/487048507.db2.gz YPPBQFBCUMRJAX-QJPTWQEYSA-N 1 1 199.338 2.268 10 0 AEAEMO COC[C@H](C)C[N@H+]1CC[C@@H](C)[C@@H](C)C1 682155231 487048577 /nfs/dbraw/zinc/04/85/77/487048577.db2.gz QOEHIIISQBWQGJ-UTUOFQBUSA-N 1 1 199.338 2.247 10 0 AEAEMO CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H](C)COC 682155417 487048633 /nfs/dbraw/zinc/04/86/33/487048633.db2.gz XMARFYKKIFXXAW-SDDRHHMPSA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@H](C)C[N@H+]1C[C@@H](C)CC[C@@H]1C 682155115 487048674 /nfs/dbraw/zinc/04/86/74/487048674.db2.gz KUOBJFGHKAAONN-TUAOUCFPSA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@H](C)C[N@H+]1CC[C@H](C)[C@@H](C)C1 682155232 487048685 /nfs/dbraw/zinc/04/86/85/487048685.db2.gz QOEHIIISQBWQGJ-WOPDTQHZSA-N 1 1 199.338 2.247 10 0 AEAEMO COC[C@@H](C)C[N@H+]1CCC2(CCC2)C1 682154906 487048826 /nfs/dbraw/zinc/04/88/26/487048826.db2.gz HSVZWBYCPKIFGP-NSHDSACASA-N 1 1 197.322 2.145 10 0 AEAEMO CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H](C)COC 682155416 487048857 /nfs/dbraw/zinc/04/88/57/487048857.db2.gz XMARFYKKIFXXAW-QJPTWQEYSA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@H](C)C[N@H+]1CCC2(CCC2)C1 682154905 487048879 /nfs/dbraw/zinc/04/88/79/487048879.db2.gz HSVZWBYCPKIFGP-LLVKDONJSA-N 1 1 197.322 2.145 10 0 AEAEMO CC[C@]1(C)CC[N@@H+](C[C@H](C)COC)C1 682156223 487048987 /nfs/dbraw/zinc/04/89/87/487048987.db2.gz IDSLZIPQEYJCNR-NWDGAFQWSA-N 1 1 199.338 2.391 10 0 AEAEMO CC[C@@H](C)C[N@@H+](CC)[C@@H]1CCC[C@H]1O 226288742 487048994 /nfs/dbraw/zinc/04/89/94/487048994.db2.gz YPPBQFBCUMRJAX-IJLUTSLNSA-N 1 1 199.338 2.268 10 0 AEAEMO COC[C@H](C)C[N@H+]1CC[C@@H](C2CC2)C1 682155861 487049006 /nfs/dbraw/zinc/04/90/06/487049006.db2.gz FCBKZGOOGFOZQG-ZYHUDNBSSA-N 1 1 197.322 2.001 10 0 AEAEMO CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H](C)COC 682155414 487049024 /nfs/dbraw/zinc/04/90/24/487049024.db2.gz XMARFYKKIFXXAW-GRYCIOLGSA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@H](C)C[N@H+]1C[C@H](C)CC[C@@H]1C 682155116 487049034 /nfs/dbraw/zinc/04/90/34/487049034.db2.gz KUOBJFGHKAAONN-UTUOFQBUSA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@@H](C)C[N@H+]1CC[C@@H](C(C)C)C1 682156176 487049103 /nfs/dbraw/zinc/04/91/03/487049103.db2.gz JJARUHADIUNXLW-NWDGAFQWSA-N 1 1 199.338 2.247 10 0 AEAEMO COC[C@H](C)C[N@H+]1CC[C@H](C(C)C)C1 682156175 487049138 /nfs/dbraw/zinc/04/91/38/487049138.db2.gz JJARUHADIUNXLW-NEPJUHHUSA-N 1 1 199.338 2.247 10 0 AEAEMO COC[C@@H](C)C[N@H+]1CC[C@H](C(C)C)C1 682156180 487049148 /nfs/dbraw/zinc/04/91/48/487049148.db2.gz JJARUHADIUNXLW-RYUDHWBXSA-N 1 1 199.338 2.247 10 0 AEAEMO COC[C@H](C)C[N@H+]1CC[C@@H](C(C)C)C1 682156181 487049256 /nfs/dbraw/zinc/04/92/56/487049256.db2.gz JJARUHADIUNXLW-VXGBXAGGSA-N 1 1 199.338 2.247 10 0 AEAEMO COC[C@H](C)C[N@H+]1CC[C@H](C2CC2)C1 682155860 487049166 /nfs/dbraw/zinc/04/91/66/487049166.db2.gz FCBKZGOOGFOZQG-PWSUYJOCSA-N 1 1 197.322 2.001 10 0 AEAEMO COC[C@H](C)C[N@H+]1CC[C@H](C)[C@H](C)C1 682155229 487049176 /nfs/dbraw/zinc/04/91/76/487049176.db2.gz QOEHIIISQBWQGJ-GRYCIOLGSA-N 1 1 199.338 2.247 10 0 AEAEMO CC[C@]1(C)CC[N@@H+](C[C@@H](C)COC)C1 682156229 487049200 /nfs/dbraw/zinc/04/92/00/487049200.db2.gz IDSLZIPQEYJCNR-VXGBXAGGSA-N 1 1 199.338 2.391 10 0 AEAEMO CC[C@@]1(C)CC[N@@H+](C[C@@H](C)COC)C1 682156221 487049290 /nfs/dbraw/zinc/04/92/90/487049290.db2.gz IDSLZIPQEYJCNR-NEPJUHHUSA-N 1 1 199.338 2.391 10 0 AEAEMO CC[C@@]1(C)CC[N@@H+](C[C@H](C)COC)C1 682156226 487049300 /nfs/dbraw/zinc/04/93/00/487049300.db2.gz IDSLZIPQEYJCNR-RYUDHWBXSA-N 1 1 199.338 2.391 10 0 AEAEMO COC[C@@H](C)C[N@H+]1CC[C@@H](C2CC2)C1 682155858 487049338 /nfs/dbraw/zinc/04/93/38/487049338.db2.gz FCBKZGOOGFOZQG-CMPLNLGQSA-N 1 1 197.322 2.001 10 0 AEAEMO COC[C@H](C)C[N@H+]1C[C@H](C)CC[C@H]1C 682155113 487049377 /nfs/dbraw/zinc/04/93/77/487049377.db2.gz KUOBJFGHKAAONN-IJLUTSLNSA-N 1 1 199.338 2.389 10 0 AEAEMO C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@H]2O)CC1 226286611 487049413 /nfs/dbraw/zinc/04/94/13/487049413.db2.gz XZGPACHGKQBJFF-IJLUTSLNSA-N 1 1 197.322 2.022 10 0 AEAEMO COC[C@H](C)C[N@H+]1C[C@@H](C)CC[C@H]1C 682155114 487049415 /nfs/dbraw/zinc/04/94/15/487049415.db2.gz KUOBJFGHKAAONN-QJPTWQEYSA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@H](C)C[N@H+]1CC[C@@H](C)[C@H](C)C1 682155230 487049439 /nfs/dbraw/zinc/04/94/39/487049439.db2.gz QOEHIIISQBWQGJ-IJLUTSLNSA-N 1 1 199.338 2.247 10 0 AEAEMO CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H](C)COC 682155415 487049452 /nfs/dbraw/zinc/04/94/52/487049452.db2.gz XMARFYKKIFXXAW-IJLUTSLNSA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@@H](C)C[N@H+]1CC[C@H](C2CC2)C1 682155859 487049555 /nfs/dbraw/zinc/04/95/55/487049555.db2.gz FCBKZGOOGFOZQG-JQWIXIFHSA-N 1 1 197.322 2.001 10 0 AEAEMO C[C@H]1CCC[N@H+]([C@@H]2CCC[C@H]2O)CC1 226286621 487049564 /nfs/dbraw/zinc/04/95/64/487049564.db2.gz XZGPACHGKQBJFF-QJPTWQEYSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC(CC)C[N@@H+](C)CC1(CO)CC1 682168542 487049888 /nfs/dbraw/zinc/04/98/88/487049888.db2.gz FCJUKKUJVUWFOP-UHFFFAOYSA-N 1 1 199.338 2.127 10 0 AEAEMO COC[C@H](C)C[N@H+]1CCCC[C@H](C)C1 682163395 487049948 /nfs/dbraw/zinc/04/99/48/487049948.db2.gz ARAZTFBEFWKRCV-NWDGAFQWSA-N 1 1 199.338 2.391 10 0 AEAEMO CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H](C)COC 682163369 487050063 /nfs/dbraw/zinc/05/00/63/487050063.db2.gz ABOJVMMHSMUPDE-QJPTWQEYSA-N 1 1 199.338 2.389 10 0 AEAEMO CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@H](C)COC 682163368 487050161 /nfs/dbraw/zinc/05/01/61/487050161.db2.gz ABOJVMMHSMUPDE-IJLUTSLNSA-N 1 1 199.338 2.389 10 0 AEAEMO CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@@H](C)COC 682163366 487050192 /nfs/dbraw/zinc/05/01/92/487050192.db2.gz ABOJVMMHSMUPDE-GRYCIOLGSA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@@H](C)C[N@H+]1CCCC[C@@H](C)C1 682163394 487050241 /nfs/dbraw/zinc/05/02/41/487050241.db2.gz ARAZTFBEFWKRCV-NEPJUHHUSA-N 1 1 199.338 2.391 10 0 AEAEMO COC[C@H](C)C[N@H+]1CCCC2(CC2)C1 682163458 487050259 /nfs/dbraw/zinc/05/02/59/487050259.db2.gz BVMBVANUSQGFPV-LLVKDONJSA-N 1 1 197.322 2.145 10 0 AEAEMO COC[C@H](C)C[N@H+]1CCCC[C@@H](C)C1 682163397 487050279 /nfs/dbraw/zinc/05/02/79/487050279.db2.gz ARAZTFBEFWKRCV-VXGBXAGGSA-N 1 1 199.338 2.391 10 0 AEAEMO CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H](C)COC 682163371 487050327 /nfs/dbraw/zinc/05/03/27/487050327.db2.gz ABOJVMMHSMUPDE-SDDRHHMPSA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@@H](C)C[N@H+]1CCCC[C@H](C)C1 682163396 487050520 /nfs/dbraw/zinc/05/05/20/487050520.db2.gz ARAZTFBEFWKRCV-RYUDHWBXSA-N 1 1 199.338 2.391 10 0 AEAEMO CC[N@@H+](CCC1CC1)C[C@@H](C)COC 682162820 487050547 /nfs/dbraw/zinc/05/05/47/487050547.db2.gz XHTXOTDWZONRPI-LLVKDONJSA-N 1 1 199.338 2.391 10 0 AEAEMO COC[C@@H](C)C[N@H+]1CCCC2(CC2)C1 682163459 487050588 /nfs/dbraw/zinc/05/05/88/487050588.db2.gz BVMBVANUSQGFPV-NSHDSACASA-N 1 1 197.322 2.145 10 0 AEAEMO CCC[C@H](O)C[N@H+]1C[C@@H](C)CC[C@@H]1C 226378853 487050711 /nfs/dbraw/zinc/05/07/11/487050711.db2.gz LXOVGNWHWGBZNZ-SRVKXCTJSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@@H+](CCC1CC1)C[C@H](C)COC 682162821 487050713 /nfs/dbraw/zinc/05/07/13/487050713.db2.gz XHTXOTDWZONRPI-NSHDSACASA-N 1 1 199.338 2.391 10 0 AEAEMO CC[C@H](C)C[N@H+]1CC[C@@H](C)[C@@H](OC)C1 682220353 487050949 /nfs/dbraw/zinc/05/09/49/487050949.db2.gz BWPNNHKWEYGQEJ-TUAOUCFPSA-N 1 1 199.338 2.389 10 0 AEAEMO CO[C@@H]1C[N@@H+](CCC2CC2)CC[C@@H]1C 682220355 487050956 /nfs/dbraw/zinc/05/09/56/487050956.db2.gz CDOBUHAVNHMECL-CMPLNLGQSA-N 1 1 197.322 2.143 10 0 AEAEMO CO[C@@H]1C[N@@H+](CCC2CC2)CC[C@H]1C 682220359 487051047 /nfs/dbraw/zinc/05/10/47/487051047.db2.gz CDOBUHAVNHMECL-ZYHUDNBSSA-N 1 1 197.322 2.143 10 0 AEAEMO CO[C@H]1C[N@@H+](CCC(C)C)CC[C@H]1C 682220381 487051110 /nfs/dbraw/zinc/05/11/10/487051110.db2.gz DMDZWNUXBJCEEM-NEPJUHHUSA-N 1 1 199.338 2.389 10 0 AEAEMO CO[C@H]1C[N@@H+](CCC2CC2)CC[C@@H]1C 682220356 487051137 /nfs/dbraw/zinc/05/11/37/487051137.db2.gz CDOBUHAVNHMECL-JQWIXIFHSA-N 1 1 197.322 2.143 10 0 AEAEMO CO[C@H]1C[N@@H+](CCC2CC2)CC[C@H]1C 682220357 487051146 /nfs/dbraw/zinc/05/11/46/487051146.db2.gz CDOBUHAVNHMECL-PWSUYJOCSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[C@H](C)C[N@H+]1CC[C@@H](C)[C@H](OC)C1 682220350 487051166 /nfs/dbraw/zinc/05/11/66/487051166.db2.gz BWPNNHKWEYGQEJ-QJPTWQEYSA-N 1 1 199.338 2.389 10 0 AEAEMO CC[C@H](C)C[N@H+]1CC[C@H](C)[C@H](OC)C1 682220351 487051171 /nfs/dbraw/zinc/05/11/71/487051171.db2.gz BWPNNHKWEYGQEJ-SDDRHHMPSA-N 1 1 199.338 2.389 10 0 AEAEMO CC[C@H](C)C[N@H+]1CC[C@H](C)[C@@H](OC)C1 682220352 487051405 /nfs/dbraw/zinc/05/14/05/487051405.db2.gz BWPNNHKWEYGQEJ-SRVKXCTJSA-N 1 1 199.338 2.389 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)[C@H]1CC[C@H](O)CC1 682225606 487051924 /nfs/dbraw/zinc/05/19/24/487051924.db2.gz KRSIWXCWOBGIEU-IJLUTSLNSA-N 1 1 199.338 2.268 10 0 AEAEMO CO[C@@H]1C[N@@H+](CC=C(C)C)CC[C@@H]1C 682220669 487052006 /nfs/dbraw/zinc/05/20/06/487052006.db2.gz ILLZEZGQUFZHKF-NWDGAFQWSA-N 1 1 197.322 2.309 10 0 AEAEMO C[N@@H+](CCC1CC1)[C@H]1CC[C@H](O)CC1 682224905 487052015 /nfs/dbraw/zinc/05/20/15/487052015.db2.gz QVLUWLAMMYCBEN-HAQNSBGRSA-N 1 1 197.322 2.022 10 0 AEAEMO CO[C@H]1C[N@@H+](CC=C(C)C)CC[C@@H]1C 682220670 487052162 /nfs/dbraw/zinc/05/21/62/487052162.db2.gz ILLZEZGQUFZHKF-RYUDHWBXSA-N 1 1 197.322 2.309 10 0 AEAEMO CO[C@H]1C[N@@H+](CC=C(C)C)CC[C@H]1C 682220663 487052174 /nfs/dbraw/zinc/05/21/74/487052174.db2.gz ILLZEZGQUFZHKF-NEPJUHHUSA-N 1 1 197.322 2.309 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@H]1CC[C@H](O)CC1 682225607 487052204 /nfs/dbraw/zinc/05/22/04/487052204.db2.gz KRSIWXCWOBGIEU-SRVKXCTJSA-N 1 1 199.338 2.268 10 0 AEAEMO CO[C@@H]1C[N@@H+](CCC(C)C)CC[C@H]1C 682220384 487052266 /nfs/dbraw/zinc/05/22/66/487052266.db2.gz DMDZWNUXBJCEEM-VXGBXAGGSA-N 1 1 199.338 2.389 10 0 AEAEMO CO[C@H]1C[N@@H+](CCC(C)C)CC[C@@H]1C 682220383 487052273 /nfs/dbraw/zinc/05/22/73/487052273.db2.gz DMDZWNUXBJCEEM-RYUDHWBXSA-N 1 1 199.338 2.389 10 0 AEAEMO CO[C@@H]1C[N@@H+](CC=C(C)C)CC[C@H]1C 682220672 487052379 /nfs/dbraw/zinc/05/23/79/487052379.db2.gz ILLZEZGQUFZHKF-VXGBXAGGSA-N 1 1 197.322 2.309 10 0 AEAEMO CO[C@@H]1C[N@@H+](CCC(C)C)CC[C@@H]1C 682220382 487052396 /nfs/dbraw/zinc/05/23/96/487052396.db2.gz DMDZWNUXBJCEEM-NWDGAFQWSA-N 1 1 199.338 2.389 10 0 AEAEMO CC(C)CC[N@@H+](C)[C@H]1CC[C@H](O)CC1 682224501 487052491 /nfs/dbraw/zinc/05/24/91/487052491.db2.gz NSKYVGIJMWPFFE-HAQNSBGRSA-N 1 1 199.338 2.268 10 0 AEAEMO C[N@@H+](CCO)C[C@@H]1CCCCC1(C)C 226581504 487052554 /nfs/dbraw/zinc/05/25/54/487052554.db2.gz URRNXSSLKSBTNO-NSHDSACASA-N 1 1 199.338 2.127 10 0 AEAEMO CCCCC[N@@H+](C)[C@H]1CC[C@H](O)CC1 682226227 487052595 /nfs/dbraw/zinc/05/25/95/487052595.db2.gz ODKYYVSIXSTJNV-HAQNSBGRSA-N 1 1 199.338 2.412 10 0 AEAEMO C[N@@H+](CCN)C[C@H]1CCCCC1(C)C 226581558 487052611 /nfs/dbraw/zinc/05/26/11/487052611.db2.gz CTNLZPLBSOOQGK-LLVKDONJSA-N 1 1 198.354 2.093 10 0 AEAEMO CN(CC[NH3+])C[C@H]1CCCCC1(C)C 226581558 487052614 /nfs/dbraw/zinc/05/26/14/487052614.db2.gz CTNLZPLBSOOQGK-LLVKDONJSA-N 1 1 198.354 2.093 10 0 AEAEMO C[N@@H+](CCO)C[C@H]1CCCCC1(C)C 226581508 487052673 /nfs/dbraw/zinc/05/26/73/487052673.db2.gz URRNXSSLKSBTNO-LLVKDONJSA-N 1 1 199.338 2.127 10 0 AEAEMO C[N@@H+](CCN)C[C@@H]1CCCCC1(C)C 226581553 487052713 /nfs/dbraw/zinc/05/27/13/487052713.db2.gz CTNLZPLBSOOQGK-NSHDSACASA-N 1 1 198.354 2.093 10 0 AEAEMO CN(CC[NH3+])C[C@@H]1CCCCC1(C)C 226581553 487052715 /nfs/dbraw/zinc/05/27/15/487052715.db2.gz CTNLZPLBSOOQGK-NSHDSACASA-N 1 1 198.354 2.093 10 0 AEAEMO Cc1cncc(C[N@@H+](C)CC2CC2)c1 682366346 487054370 /nfs/dbraw/zinc/05/43/70/487054370.db2.gz FPZGURYOPPQESA-UHFFFAOYSA-N 1 1 190.290 2.232 10 0 AEAEMO CC[N@@H+]1CC(C)(C)OC2(CCCC2)C1 682373365 487055207 /nfs/dbraw/zinc/05/52/07/487055207.db2.gz DNLZTBZQEDPIEQ-UHFFFAOYSA-N 1 1 197.322 2.430 10 0 AEAEMO CC1CCC(C[N@@H+](C)CCC[NH3+])CC1 227742535 487055627 /nfs/dbraw/zinc/05/56/27/487055627.db2.gz DVYZFPYNTGBCJB-UHFFFAOYSA-N 1 1 198.354 2.093 10 0 AEAEMO C[C@@H]1CCC[N@H+]1C[C@@H]1CCC[C@@H](O)C1 227727706 487056532 /nfs/dbraw/zinc/05/65/32/487056532.db2.gz MNNUBLSCOWIZEZ-IJLUTSLNSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@@H+](CCC1CC1)CC[C@H]1CCCO1 682434598 487058211 /nfs/dbraw/zinc/05/82/11/487058211.db2.gz FROJWIYGJBFEDM-GFCCVEGCSA-N 1 1 197.322 2.287 10 0 AEAEMO C[N@@H+](CCC1CC1)CC[C@@H]1CCCO1 682434599 487058861 /nfs/dbraw/zinc/05/88/61/487058861.db2.gz FROJWIYGJBFEDM-LBPRGKRZSA-N 1 1 197.322 2.287 10 0 AEAEMO C[C@@H]([NH2+][C@H]1CCCSC1)C(F)F 228521962 487059446 /nfs/dbraw/zinc/05/94/46/487059446.db2.gz GOBJYCZXMRIELQ-RQJHMYQMSA-N 1 1 195.278 2.125 10 0 AEAEMO C[C@@H]([NH2+][C@@H]1CCCSC1)C(F)F 228521954 487059648 /nfs/dbraw/zinc/05/96/48/487059648.db2.gz GOBJYCZXMRIELQ-RNFRBKRXSA-N 1 1 195.278 2.125 10 0 AEAEMO C[C@H]([NH2+][C@@H]1CCCSC1)C(F)F 228521960 487060129 /nfs/dbraw/zinc/06/01/29/487060129.db2.gz GOBJYCZXMRIELQ-NKWVEPMBSA-N 1 1 195.278 2.125 10 0 AEAEMO C[C@H]([NH2+][C@H]1CCCSC1)C(F)F 228521968 487060260 /nfs/dbraw/zinc/06/02/60/487060260.db2.gz GOBJYCZXMRIELQ-BQBZGAKWSA-N 1 1 195.278 2.125 10 0 AEAEMO CCC[N@@H+](CC[C@@H]1CCCO1)C1CC1 682521805 487061656 /nfs/dbraw/zinc/06/16/56/487061656.db2.gz AWAUMSLPPZQFCH-LBPRGKRZSA-N 1 1 197.322 2.430 10 0 AEAEMO CC[N@@H+](CC[C@H]1CCCO1)C1CCC1 682527225 487061689 /nfs/dbraw/zinc/06/16/89/487061689.db2.gz BCEJEHIQITUODF-GFCCVEGCSA-N 1 1 197.322 2.430 10 0 AEAEMO COC(C)(C)CC[N@@H+](C)CC(C)C 682519236 487061699 /nfs/dbraw/zinc/06/16/99/487061699.db2.gz ICMMMEUSKRVZIV-UHFFFAOYSA-N 1 1 187.327 2.389 10 0 AEAEMO CCC[N@@H+](CC[C@H]1CCCO1)C1CC1 682521802 487061710 /nfs/dbraw/zinc/06/17/10/487061710.db2.gz AWAUMSLPPZQFCH-GFCCVEGCSA-N 1 1 197.322 2.430 10 0 AEAEMO COC(C)(C)CC[N@@H+](C)CC1CC1 682517769 487061742 /nfs/dbraw/zinc/06/17/42/487061742.db2.gz IKLHEEUBYBTUHV-UHFFFAOYSA-N 1 1 185.311 2.143 10 0 AEAEMO COC(C)(C)CC[N@H+]1CC[C@H](C)C1 682526433 487061800 /nfs/dbraw/zinc/06/18/00/487061800.db2.gz SWSCAADSTOGJDD-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@@H]1CC[N@H+](C[C@@H](N)CC(C)C)C1 228739707 487061870 /nfs/dbraw/zinc/06/18/70/487061870.db2.gz OJBKQASHSONFFV-NEPJUHHUSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H]1CC[N@@H+](C[C@@H](N)CC(C)C)C1 228739707 487061875 /nfs/dbraw/zinc/06/18/75/487061875.db2.gz OJBKQASHSONFFV-NEPJUHHUSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](CC[C@@H]1CCCO1)C1CCC1 682527226 487061905 /nfs/dbraw/zinc/06/19/05/487061905.db2.gz BCEJEHIQITUODF-LBPRGKRZSA-N 1 1 197.322 2.430 10 0 AEAEMO COC(C)(C)CC[N@H+]1CC[C@@H](C)C1 682526435 487061983 /nfs/dbraw/zinc/06/19/83/487061983.db2.gz SWSCAADSTOGJDD-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[N@@H+](C)CCC(C)(C)OC 682520360 487062052 /nfs/dbraw/zinc/06/20/52/487062052.db2.gz IYYIDMHSFQKZTI-UHFFFAOYSA-N 1 1 173.300 2.143 10 0 AEAEMO CC(C)[N@@H+](CC[C@H]1CCCO1)C1CC1 682517738 487062101 /nfs/dbraw/zinc/06/21/01/487062101.db2.gz HGXKSPJSPYHFGX-GFCCVEGCSA-N 1 1 197.322 2.428 10 0 AEAEMO CC[C@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 682529877 487062672 /nfs/dbraw/zinc/06/26/72/487062672.db2.gz GXKWKRJFWKLHNO-RYUDHWBXSA-N 1 1 197.322 2.287 10 0 AEAEMO CC[N@@H+](CCC(C)(C)OC)C1CC1 682519125 487062284 /nfs/dbraw/zinc/06/22/84/487062284.db2.gz YZEZCUZLPCUEJE-UHFFFAOYSA-N 1 1 185.311 2.286 10 0 AEAEMO CC(C)[N@@H+](CC[C@@H]1CCCO1)C1CC1 682517739 487062298 /nfs/dbraw/zinc/06/22/98/487062298.db2.gz HGXKSPJSPYHFGX-LBPRGKRZSA-N 1 1 197.322 2.428 10 0 AEAEMO CC[C@H]1CC[N@H+](C[C@@H](N)CC(C)C)C1 228739716 487062513 /nfs/dbraw/zinc/06/25/13/487062513.db2.gz OJBKQASHSONFFV-RYUDHWBXSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H]1CC[N@@H+](C[C@@H](N)CC(C)C)C1 228739716 487062515 /nfs/dbraw/zinc/06/25/15/487062515.db2.gz OJBKQASHSONFFV-RYUDHWBXSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1C 682528584 487062708 /nfs/dbraw/zinc/06/27/08/487062708.db2.gz HEZXLJFITXSAEF-TUAOUCFPSA-N 1 1 197.322 2.143 10 0 AEAEMO COC(C)(C)CC[N@H+]1CCC[C@@H]1C 682529636 487062861 /nfs/dbraw/zinc/06/28/61/487062861.db2.gz YXWMVXURNCOLTC-JTQLQIEISA-N 1 1 185.311 2.286 10 0 AEAEMO C[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1C 682528582 487062927 /nfs/dbraw/zinc/06/29/27/487062927.db2.gz HEZXLJFITXSAEF-GRYCIOLGSA-N 1 1 197.322 2.143 10 0 AEAEMO COC(C)(C)CC[N@H+]1CCC[C@H]1C 682529637 487062993 /nfs/dbraw/zinc/06/29/93/487062993.db2.gz YXWMVXURNCOLTC-SNVBAGLBSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 682529875 487063016 /nfs/dbraw/zinc/06/30/16/487063016.db2.gz GXKWKRJFWKLHNO-NEPJUHHUSA-N 1 1 197.322 2.287 10 0 AEAEMO CC[C@@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 682529878 487063061 /nfs/dbraw/zinc/06/30/61/487063061.db2.gz GXKWKRJFWKLHNO-VXGBXAGGSA-N 1 1 197.322 2.287 10 0 AEAEMO COC(C)(C)CC[N@@H+]1CC=CCC1 682533165 487062782 /nfs/dbraw/zinc/06/27/82/487062782.db2.gz WETHHQMPKZOBBV-UHFFFAOYSA-N 1 1 183.295 2.063 10 0 AEAEMO COC(C)(C)CC[N@@H+]1C[C@@H](C)[C@@H](C)C1 682528576 487063158 /nfs/dbraw/zinc/06/31/58/487063158.db2.gz HBHLWXUMQSJPGM-PHIMTYICSA-N 1 1 199.338 2.389 10 0 AEAEMO CC[C@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 682529876 487063328 /nfs/dbraw/zinc/06/33/28/487063328.db2.gz GXKWKRJFWKLHNO-NWDGAFQWSA-N 1 1 197.322 2.287 10 0 AEAEMO COC(C)(C)CC[N@@H+](C)C1CCC1 682528741 487063348 /nfs/dbraw/zinc/06/33/48/487063348.db2.gz MPXNKJMMAKHQLK-UHFFFAOYSA-N 1 1 185.311 2.286 10 0 AEAEMO COC(C)(C)CC[N@@H+]1CC=C(C)CC1 682532366 487063395 /nfs/dbraw/zinc/06/33/95/487063395.db2.gz UNNFDGRYGIUEFS-UHFFFAOYSA-N 1 1 197.322 2.454 10 0 AEAEMO COC[C@@H]1CCC[N@@H+](C[C@H]2C[C@H]2C)C1 682672765 487064794 /nfs/dbraw/zinc/06/47/94/487064794.db2.gz HQWZMXJNFXWBMX-IJLUTSLNSA-N 1 1 197.322 2.001 10 0 AEAEMO CCC[N@H+](Cc1cocn1)CC1CC1 682672323 487065029 /nfs/dbraw/zinc/06/50/29/487065029.db2.gz AYNQQFILGOJXRJ-UHFFFAOYSA-N 1 1 194.278 2.297 10 0 AEAEMO COC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2C)C1 682672768 487065052 /nfs/dbraw/zinc/06/50/52/487065052.db2.gz HQWZMXJNFXWBMX-UTUOFQBUSA-N 1 1 197.322 2.001 10 0 AEAEMO Cc1cc(C[N@H+](C)C[C@H]2C[C@H]2C)no1 682673235 487065104 /nfs/dbraw/zinc/06/51/04/487065104.db2.gz MJBRURQNFZMJPA-PSASIEDQSA-N 1 1 194.278 2.071 10 0 AEAEMO COC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]2C)C1 682672767 487065134 /nfs/dbraw/zinc/06/51/34/487065134.db2.gz HQWZMXJNFXWBMX-TUAOUCFPSA-N 1 1 197.322 2.001 10 0 AEAEMO Cc1cc(C[N@H+](C)C[C@H]2C[C@@H]2C)no1 682673237 487065155 /nfs/dbraw/zinc/06/51/55/487065155.db2.gz MJBRURQNFZMJPA-WCBMZHEXSA-N 1 1 194.278 2.071 10 0 AEAEMO Cc1cc(C[N@H+](C)C[C@@H]2C[C@H]2C)no1 682673236 487065163 /nfs/dbraw/zinc/06/51/63/487065163.db2.gz MJBRURQNFZMJPA-SCZZXKLOSA-N 1 1 194.278 2.071 10 0 AEAEMO COC[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]2C)C1 682672766 487065318 /nfs/dbraw/zinc/06/53/18/487065318.db2.gz HQWZMXJNFXWBMX-QJPTWQEYSA-N 1 1 197.322 2.001 10 0 AEAEMO Cc1cc(C[N@H+](C)C[C@@H]2C[C@@H]2C)no1 682673238 487065570 /nfs/dbraw/zinc/06/55/70/487065570.db2.gz MJBRURQNFZMJPA-WPRPVWTQSA-N 1 1 194.278 2.071 10 0 AEAEMO CCCCC[N@H+]1[C@@H](C)C[C@H](O)C[C@H]1C 682675513 487066142 /nfs/dbraw/zinc/06/61/42/487066142.db2.gz VQPAEJVELOPFFA-ZSBIGDGJSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[C@@H](C)C[N@H+]1[C@@H](C)C[C@H](O)C[C@H]1C 682674840 487066160 /nfs/dbraw/zinc/06/61/60/487066160.db2.gz NEVJYXOODPIPKM-WISYIIOYSA-N 1 1 199.338 2.266 10 0 AEAEMO CC[C@H](C)C[N@H+]1[C@@H](C)C[C@H](O)C[C@H]1C 682674841 487066235 /nfs/dbraw/zinc/06/62/35/487066235.db2.gz NEVJYXOODPIPKM-YFKTTZPYSA-N 1 1 199.338 2.266 10 0 AEAEMO CCC1([NH2+]CCNC(C)(C)C)CCC1 229505059 487067693 /nfs/dbraw/zinc/06/76/93/487067693.db2.gz ORMLJPYOCKHYJB-UHFFFAOYSA-N 1 1 198.354 2.297 10 0 AEAEMO CCC1(NCC[NH2+]C(C)(C)C)CCC1 229505059 487067696 /nfs/dbraw/zinc/06/76/96/487067696.db2.gz ORMLJPYOCKHYJB-UHFFFAOYSA-N 1 1 198.354 2.297 10 0 AEAEMO CCC1([NH2+]C[C@@H](N)CC(C)C)CCC1 229505418 487067934 /nfs/dbraw/zinc/06/79/34/487067934.db2.gz GIDLOILFFFTVND-NSHDSACASA-N 1 1 198.354 2.282 10 0 AEAEMO CCC1([NH2+]C[C@H](N)CC(C)C)CCC1 229505433 487068042 /nfs/dbraw/zinc/06/80/42/487068042.db2.gz GIDLOILFFFTVND-LLVKDONJSA-N 1 1 198.354 2.282 10 0 AEAEMO C[C@H]1[C@H](C)CC[N@@H+]1C[C@H]1CC[C@@H](C)O1 682760328 487068449 /nfs/dbraw/zinc/06/84/49/487068449.db2.gz ANEZKJIZHPVCDD-WISYIIOYSA-N 1 1 197.322 2.284 10 0 AEAEMO C[C@H]1CC[N@H+](C[C@H]2CC[C@@H](C)O2)[C@@H]1C 682760326 487068494 /nfs/dbraw/zinc/06/84/94/487068494.db2.gz ANEZKJIZHPVCDD-IRCOFANPSA-N 1 1 197.322 2.284 10 0 AEAEMO C[C@H]1CC[N@H+](C[C@H]2CC[C@@H](C)O2)[C@H]1C 682760327 487068561 /nfs/dbraw/zinc/06/85/61/487068561.db2.gz ANEZKJIZHPVCDD-WHOHXGKFSA-N 1 1 197.322 2.284 10 0 AEAEMO C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H](C)[C@H]2C)O1 682760325 487068728 /nfs/dbraw/zinc/06/87/28/487068728.db2.gz ANEZKJIZHPVCDD-DDHJBXDOSA-N 1 1 197.322 2.284 10 0 AEAEMO CC[N@H+]1C[C@H](C)C[C@H](C)[C@@H]1C 682777348 487069339 /nfs/dbraw/zinc/06/93/39/487069339.db2.gz KSDPRQXLLPCYNW-UTLUCORTSA-N 1 1 155.285 2.373 10 0 AEAEMO CC[N@H+]1C[C@H](C)C[C@H](C)[C@H]1C 682777346 487069371 /nfs/dbraw/zinc/06/93/71/487069371.db2.gz KSDPRQXLLPCYNW-KXUCPTDWSA-N 1 1 155.285 2.373 10 0 AEAEMO CO[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)[C@H]1C 682777281 487069380 /nfs/dbraw/zinc/06/93/80/487069380.db2.gz JHQQBZXZBWEABB-WRWGMCAJSA-N 1 1 199.338 2.388 10 0 AEAEMO CCOCC[N@H+]1C[C@H](C)C[C@H](C)[C@H]1C 682777005 487069397 /nfs/dbraw/zinc/06/93/97/487069397.db2.gz DBJNPHRPTLCKSY-GRYCIOLGSA-N 1 1 199.338 2.389 10 0 AEAEMO CC[N@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C 682777345 487069459 /nfs/dbraw/zinc/06/94/59/487069459.db2.gz KSDPRQXLLPCYNW-BBBLOLIVSA-N 1 1 155.285 2.373 10 0 AEAEMO CCOCC[N@H+]1C[C@H](C)C[C@H](C)[C@@H]1C 682777008 487069609 /nfs/dbraw/zinc/06/96/09/487069609.db2.gz DBJNPHRPTLCKSY-WOPDTQHZSA-N 1 1 199.338 2.389 10 0 AEAEMO COCCC[N@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C 682777329 487069638 /nfs/dbraw/zinc/06/96/38/487069638.db2.gz KKPDCCQWMHCXND-UTUOFQBUSA-N 1 1 199.338 2.389 10 0 AEAEMO CC[N@H+]1C[C@H](C)C[C@@H](C)[C@H]1C 682777347 487069794 /nfs/dbraw/zinc/06/97/94/487069794.db2.gz KSDPRQXLLPCYNW-OPRDCNLKSA-N 1 1 155.285 2.373 10 0 AEAEMO CO[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)[C@@H]1C 682777279 487069807 /nfs/dbraw/zinc/06/98/07/487069807.db2.gz JHQQBZXZBWEABB-KXNHARMFSA-N 1 1 199.338 2.388 10 0 AEAEMO CO[C@H](C)C[N@H+]1C[C@H](C)C[C@@H](C)[C@H]1C 682777276 487069830 /nfs/dbraw/zinc/06/98/30/487069830.db2.gz JHQQBZXZBWEABB-DDHJBXDOSA-N 1 1 199.338 2.388 10 0 AEAEMO COCCC[N@H+]1C[C@H](C)C[C@H](C)[C@@H]1C 682777330 487070125 /nfs/dbraw/zinc/07/01/25/487070125.db2.gz KKPDCCQWMHCXND-WOPDTQHZSA-N 1 1 199.338 2.389 10 0 AEAEMO CO[C@H](C)C[N@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C 682777278 487070179 /nfs/dbraw/zinc/07/01/79/487070179.db2.gz JHQQBZXZBWEABB-KKOKHZNYSA-N 1 1 199.338 2.388 10 0 AEAEMO CCOCC[N@H+]1C[C@H](C)C[C@@H](C)[C@H]1C 682777006 487070215 /nfs/dbraw/zinc/07/02/15/487070215.db2.gz DBJNPHRPTLCKSY-IJLUTSLNSA-N 1 1 199.338 2.389 10 0 AEAEMO CCOCC[N@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C 682777007 487070238 /nfs/dbraw/zinc/07/02/38/487070238.db2.gz DBJNPHRPTLCKSY-UTUOFQBUSA-N 1 1 199.338 2.389 10 0 AEAEMO COCCC[N@H+]1C[C@H](C)C[C@@H](C)[C@H]1C 682777328 487070255 /nfs/dbraw/zinc/07/02/55/487070255.db2.gz KKPDCCQWMHCXND-IJLUTSLNSA-N 1 1 199.338 2.389 10 0 AEAEMO COCCC[N@H+]1C[C@H](C)C[C@H](C)[C@H]1C 682777327 487070283 /nfs/dbraw/zinc/07/02/83/487070283.db2.gz KKPDCCQWMHCXND-GRYCIOLGSA-N 1 1 199.338 2.389 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCC[C@@]1(C)CO 682782223 487071292 /nfs/dbraw/zinc/07/12/92/487071292.db2.gz AHZSEJDUEHYWIO-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCC[C@@]1(C)CO 682782221 487071353 /nfs/dbraw/zinc/07/13/53/487071353.db2.gz AHZSEJDUEHYWIO-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCC[C@]1(C)CO 682782222 487071389 /nfs/dbraw/zinc/07/13/89/487071389.db2.gz AHZSEJDUEHYWIO-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCC[C@]1(C)CO 682782224 487071419 /nfs/dbraw/zinc/07/14/19/487071419.db2.gz AHZSEJDUEHYWIO-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[N@@H+](CC1CCC1)[C@@H]1CCC[C@H]1O 230327893 487073963 /nfs/dbraw/zinc/07/39/63/487073963.db2.gz BRFZOZCQLKUEGM-VXGBXAGGSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1C[C@H]1C[N@H+]1C[C@@H](C)O[C@H](C)[C@@H]1C 683111226 487084422 /nfs/dbraw/zinc/08/44/22/487084422.db2.gz RMKKOUOTAOLNEB-MJDLHHQISA-N 1 1 197.322 2.140 10 0 AEAEMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1cocn1 683354863 487090511 /nfs/dbraw/zinc/09/05/11/487090511.db2.gz IXOKMBCFGJOEGK-KOLCDFICSA-N 1 1 194.278 2.295 10 0 AEAEMO CC(C)C[C@@H](N)C[NH2+]CC1(C)CCC1 232615056 487083993 /nfs/dbraw/zinc/08/39/93/487083993.db2.gz KUZGIIDHGKMLPJ-LLVKDONJSA-N 1 1 198.354 2.140 10 0 AEAEMO COC1(C[N@@H+](C)CC2CC2)CCCC1 682995338 487076814 /nfs/dbraw/zinc/07/68/14/487076814.db2.gz JOLVAMNKFZOIHG-UHFFFAOYSA-N 1 1 197.322 2.287 10 0 AEAEMO COC1(C[N@@H+]2CC=CCC2)CCCC1 682997083 487076924 /nfs/dbraw/zinc/07/69/24/487076924.db2.gz GAJBDYIVGMWHIW-UHFFFAOYSA-N 1 1 195.306 2.208 10 0 AEAEMO CC(C)C[C@H](N)C[NH2+]CC1(C)CCC1 232622648 487084037 /nfs/dbraw/zinc/08/40/37/487084037.db2.gz KUZGIIDHGKMLPJ-NSHDSACASA-N 1 1 198.354 2.140 10 0 AEAEMO CCCC[N@@H+](CC)Cc1ncccn1 683001817 487077697 /nfs/dbraw/zinc/07/76/97/487077697.db2.gz PYYYLLMVBLZRTA-UHFFFAOYSA-N 1 1 193.294 2.099 10 0 AEAEMO Cc1ccnc(C[N@@H+](C)CC2CC2)c1 683004963 487077831 /nfs/dbraw/zinc/07/78/31/487077831.db2.gz NIBAPIXOBITYJV-UHFFFAOYSA-N 1 1 190.290 2.232 10 0 AEAEMO CCC(C)(C)[N@@H+](C)Cc1ncccn1 683015656 487077961 /nfs/dbraw/zinc/07/79/61/487077961.db2.gz KXMICRTVGNHXLG-UHFFFAOYSA-N 1 1 193.294 2.097 10 0 AEAEMO CC[N@@H+](CCN)CC1CCC(C)CC1 231818692 487078075 /nfs/dbraw/zinc/07/80/75/487078075.db2.gz SQNAVFJVWORFSI-UHFFFAOYSA-N 1 1 198.354 2.093 10 0 AEAEMO CCN(CC[NH3+])CC1CCC(C)CC1 231818692 487078080 /nfs/dbraw/zinc/07/80/80/487078080.db2.gz SQNAVFJVWORFSI-UHFFFAOYSA-N 1 1 198.354 2.093 10 0 AEAEMO CC1(CNCC[NH2+]C(C)(C)C)CCC1 232497414 487083091 /nfs/dbraw/zinc/08/30/91/487083091.db2.gz PEHABKFZELYLLJ-UHFFFAOYSA-N 1 1 198.354 2.154 10 0 AEAEMO CC1(C[NH2+]CCNC(C)(C)C)CCC1 232497414 487083097 /nfs/dbraw/zinc/08/30/97/487083097.db2.gz PEHABKFZELYLLJ-UHFFFAOYSA-N 1 1 198.354 2.154 10 0 AEAEMO CC(C)C1CC([NH2+]CC(F)F)C1 232558883 487083199 /nfs/dbraw/zinc/08/31/99/487083199.db2.gz ZVEGDDOOFDYPLJ-UHFFFAOYSA-N 1 1 177.238 2.276 10 0 AEAEMO C[C@@H]1O[C@H](C)C[N@H+](C[C@@H]2C[C@@H]2C)[C@H]1C 683111229 487083844 /nfs/dbraw/zinc/08/38/44/487083844.db2.gz RMKKOUOTAOLNEB-OSUNSFLBSA-N 1 1 197.322 2.140 10 0 AEAEMO C[C@H]1C[C@H]1C[N@H+]1C[C@@H](C)O[C@H](C)[C@H]1C 683111224 487084229 /nfs/dbraw/zinc/08/42/29/487084229.db2.gz RMKKOUOTAOLNEB-KQSJRHEJSA-N 1 1 197.322 2.140 10 0 AEAEMO C[C@H]1C[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)[C@H]1C 683111222 487084517 /nfs/dbraw/zinc/08/45/17/487084517.db2.gz RMKKOUOTAOLNEB-KNZXXDILSA-N 1 1 197.322 2.140 10 0 AEAEMO COCC(C)(C)C[N@H+]1CC[C@@H](C)[C@@H]1C 683161844 487084966 /nfs/dbraw/zinc/08/49/66/487084966.db2.gz GPHYCWJJQYDTNA-MNOVXSKESA-N 1 1 199.338 2.389 10 0 AEAEMO COCC(C)(C)C[N@H+]1CC[C@@H](C)[C@H]1C 683161843 487084991 /nfs/dbraw/zinc/08/49/91/487084991.db2.gz GPHYCWJJQYDTNA-GHMZBOCLSA-N 1 1 199.338 2.389 10 0 AEAEMO COCC(C)(C)C[N@H+]1CC[C@H](C)[C@@H]1C 683161845 487085055 /nfs/dbraw/zinc/08/50/55/487085055.db2.gz GPHYCWJJQYDTNA-QWRGUYRKSA-N 1 1 199.338 2.389 10 0 AEAEMO COCC(C)(C)C[N@H+]1CC[C@H](C)[C@H]1C 683161846 487085283 /nfs/dbraw/zinc/08/52/83/487085283.db2.gz GPHYCWJJQYDTNA-WDEREUQCSA-N 1 1 199.338 2.389 10 0 AEAEMO CC1(C[NH2+]CC2(N)CCCC2)CCC1 232857781 487085417 /nfs/dbraw/zinc/08/54/17/487085417.db2.gz ZNWVXZGCMFXAKE-UHFFFAOYSA-N 1 1 196.338 2.038 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1Cc1cocn1 683350189 487087822 /nfs/dbraw/zinc/08/78/22/487087822.db2.gz ANNDCFJAGATSHM-LLVKDONJSA-N 1 1 194.278 2.439 10 0 AEAEMO CC(C)[C@H]1CCC[N@H+]1Cc1cocn1 683350242 487087862 /nfs/dbraw/zinc/08/78/62/487087862.db2.gz FBFRUXAEALGIFA-LLVKDONJSA-N 1 1 194.278 2.295 10 0 AEAEMO CCC(N)(CC)C[NH2+]CC1(C)CCC1 232989608 487087927 /nfs/dbraw/zinc/08/79/27/487087927.db2.gz XOHDFCVTDIVVRZ-UHFFFAOYSA-N 1 1 198.354 2.284 10 0 AEAEMO CCC[N@@H+](C)CCCC(=O)CC 233026297 487087938 /nfs/dbraw/zinc/08/79/38/487087938.db2.gz DXQSYPQVVAXCRR-UHFFFAOYSA-N 1 1 171.284 2.088 10 0 AEAEMO CC[N@@H+](Cc1cocn1)C1CCCC1 683350613 487087970 /nfs/dbraw/zinc/08/79/70/487087970.db2.gz MRZSRJCSXCJDFU-UHFFFAOYSA-N 1 1 194.278 2.439 10 0 AEAEMO CC(C)[N@H+](Cc1cocn1)CC1CC1 683350830 487088032 /nfs/dbraw/zinc/08/80/32/487088032.db2.gz OKHDLWVVXGZKRP-UHFFFAOYSA-N 1 1 194.278 2.295 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1Cc1cocn1 683350190 487088067 /nfs/dbraw/zinc/08/80/67/487088067.db2.gz ANNDCFJAGATSHM-NSHDSACASA-N 1 1 194.278 2.439 10 0 AEAEMO CC(C)[C@@H]1CCC[N@H+]1Cc1cocn1 683350243 487088114 /nfs/dbraw/zinc/08/81/14/487088114.db2.gz FBFRUXAEALGIFA-NSHDSACASA-N 1 1 194.278 2.295 10 0 AEAEMO C[C@H]1C[C@@H](C)C[N@@H+](Cc2cocn2)C1 683351219 487088255 /nfs/dbraw/zinc/08/82/55/487088255.db2.gz XFSLLZUMPJUOKB-AOOOYVTPSA-N 1 1 194.278 2.153 10 0 AEAEMO C[N@@H+](Cc1cocn1)C1CCCCC1 683351109 487088350 /nfs/dbraw/zinc/08/83/50/487088350.db2.gz UKHKQFIOWJKAFS-UHFFFAOYSA-N 1 1 194.278 2.439 10 0 AEAEMO c1nc(C[N@H+]2CCC[C@@H]2C2CC2)co1 683353015 487088719 /nfs/dbraw/zinc/08/87/19/487088719.db2.gz QNAPFXXQMWXUIN-LLVKDONJSA-N 1 1 192.262 2.049 10 0 AEAEMO c1nc(C[N@H+]2CCC[C@H]2C2CC2)co1 683353016 487088751 /nfs/dbraw/zinc/08/87/51/487088751.db2.gz QNAPFXXQMWXUIN-NSHDSACASA-N 1 1 192.262 2.049 10 0 AEAEMO C[C@H]([N@H+](C)Cc1cocn1)C1(C)CC1 683352809 487088772 /nfs/dbraw/zinc/08/87/72/487088772.db2.gz YNQJXMGODNHGRT-VIFPVBQESA-N 1 1 194.278 2.295 10 0 AEAEMO C[C@H]([N@@H+](C)Cc1cocn1)C1(C)CC1 683352809 487088777 /nfs/dbraw/zinc/08/87/77/487088777.db2.gz YNQJXMGODNHGRT-VIFPVBQESA-N 1 1 194.278 2.295 10 0 AEAEMO c1nc(C[N@H+]2CCC3(CCC3)C2)co1 683352064 487088799 /nfs/dbraw/zinc/08/87/99/487088799.db2.gz WOYUKBPUUIJEQT-UHFFFAOYSA-N 1 1 192.262 2.051 10 0 AEAEMO CC(C)[C@@H]1CC[N@@H+](Cc2cocn2)C1 683352368 487088829 /nfs/dbraw/zinc/08/88/29/487088829.db2.gz MNNGFPLKDGIVFM-SNVBAGLBSA-N 1 1 194.278 2.153 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1Cc1cocn1 683351718 487088871 /nfs/dbraw/zinc/08/88/71/487088871.db2.gz MLGOMSFTFNWDCX-JTQLQIEISA-N 1 1 194.278 2.439 10 0 AEAEMO C[C@H]1CCC[N@@H+](Cc2cocn2)[C@H]1C 683352939 487088884 /nfs/dbraw/zinc/08/88/84/487088884.db2.gz NTJOATMLCDEQGK-UWVGGRQHSA-N 1 1 194.278 2.295 10 0 AEAEMO CC1(C)CCC[N@H+](Cc2cocn2)C1 683353129 487088937 /nfs/dbraw/zinc/08/89/37/487088937.db2.gz UWCQQBSALLAAKV-UHFFFAOYSA-N 1 1 194.278 2.297 10 0 AEAEMO CC1(C)CCC[N@@H+](Cc2cocn2)C1 683353129 487088939 /nfs/dbraw/zinc/08/89/39/487088939.db2.gz UWCQQBSALLAAKV-UHFFFAOYSA-N 1 1 194.278 2.297 10 0 AEAEMO C[C@H]1CC[C@@H](C)[N@@H+](Cc2cocn2)C1 683351494 487089003 /nfs/dbraw/zinc/08/90/03/487089003.db2.gz GOPMOYWYKUTHST-VHSXEESVSA-N 1 1 194.278 2.295 10 0 AEAEMO C[C@H]1CCC[N@@H+](Cc2cocn2)CC1 683352653 487089034 /nfs/dbraw/zinc/08/90/34/487089034.db2.gz JBURHUNKLMUENP-JTQLQIEISA-N 1 1 194.278 2.297 10 0 AEAEMO C[C@H]1CC[C@@H](C)C[N@@H+]1Cc1cocn1 683351495 487089079 /nfs/dbraw/zinc/08/90/79/487089079.db2.gz GOPMOYWYKUTHST-ZJUUUORDSA-N 1 1 194.278 2.295 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1Cc1cocn1 683351719 487089095 /nfs/dbraw/zinc/08/90/95/487089095.db2.gz MLGOMSFTFNWDCX-SNVBAGLBSA-N 1 1 194.278 2.439 10 0 AEAEMO CC(C)C[N@@H+](Cc1cocn1)C1CC1 683351295 487089116 /nfs/dbraw/zinc/08/91/16/487089116.db2.gz XVVFZYBEEQSQOC-UHFFFAOYSA-N 1 1 194.278 2.295 10 0 AEAEMO CC[C@]1(C)CC[N@@H+](Cc2cocn2)C1 683351509 487089132 /nfs/dbraw/zinc/08/91/32/487089132.db2.gz HAICQQPOFZKTDJ-LLVKDONJSA-N 1 1 194.278 2.297 10 0 AEAEMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cocn1 683352000 487089145 /nfs/dbraw/zinc/08/91/45/487089145.db2.gz UTUSSMLHYMQTQJ-KOLCDFICSA-N 1 1 194.278 2.295 10 0 AEAEMO C[C@H]1[C@H](C)CCC[N@H+]1Cc1cocn1 683352941 487089158 /nfs/dbraw/zinc/08/91/58/487089158.db2.gz NTJOATMLCDEQGK-ZJUUUORDSA-N 1 1 194.278 2.295 10 0 AEAEMO CC(C)[C@H]1CC[N@@H+](Cc2cocn2)C1 683352367 487089179 /nfs/dbraw/zinc/08/91/79/487089179.db2.gz MNNGFPLKDGIVFM-JTQLQIEISA-N 1 1 194.278 2.153 10 0 AEAEMO C[N@H+](Cc1cocn1)CC1CCCC1 683352400 487089193 /nfs/dbraw/zinc/08/91/93/487089193.db2.gz AVQDFOBPAQTJPT-UHFFFAOYSA-N 1 1 194.278 2.297 10 0 AEAEMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1cocn1 683352002 487089214 /nfs/dbraw/zinc/08/92/14/487089214.db2.gz UTUSSMLHYMQTQJ-ONGXEEELSA-N 1 1 194.278 2.295 10 0 AEAEMO CC(C)[N@@H+](Cc1cocn1)C1CCC1 683351993 487089222 /nfs/dbraw/zinc/08/92/22/487089222.db2.gz UQSULHOYBPDBBN-UHFFFAOYSA-N 1 1 194.278 2.438 10 0 AEAEMO C[C@H]1CC[C@H](C)[N@@H+](Cc2cocn2)C1 683351493 487089263 /nfs/dbraw/zinc/08/92/63/487089263.db2.gz GOPMOYWYKUTHST-UWVGGRQHSA-N 1 1 194.278 2.295 10 0 AEAEMO C[C@H]1CC[N@@H+](Cc2cocn2)C[C@H]1C 683352100 487089295 /nfs/dbraw/zinc/08/92/95/487089295.db2.gz XHQUXXOPJARZSC-VHSXEESVSA-N 1 1 194.278 2.153 10 0 AEAEMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cocn1 683352001 487089315 /nfs/dbraw/zinc/08/93/15/487089315.db2.gz UTUSSMLHYMQTQJ-MWLCHTKSSA-N 1 1 194.278 2.295 10 0 AEAEMO CC[C@@]1(C)CC[N@@H+](Cc2cocn2)C1 683351510 487089331 /nfs/dbraw/zinc/08/93/31/487089331.db2.gz HAICQQPOFZKTDJ-NSHDSACASA-N 1 1 194.278 2.297 10 0 AEAEMO C[C@@H]([N@H+](C)Cc1cocn1)C1(C)CC1 683352808 487089355 /nfs/dbraw/zinc/08/93/55/487089355.db2.gz YNQJXMGODNHGRT-SECBINFHSA-N 1 1 194.278 2.295 10 0 AEAEMO C[C@@H]([N@@H+](C)Cc1cocn1)C1(C)CC1 683352808 487089361 /nfs/dbraw/zinc/08/93/61/487089361.db2.gz YNQJXMGODNHGRT-SECBINFHSA-N 1 1 194.278 2.295 10 0 AEAEMO C[C@H]1CCC[N@@H+](Cc2cocn2)[C@@H]1C 683352940 487089394 /nfs/dbraw/zinc/08/93/94/487089394.db2.gz NTJOATMLCDEQGK-VHSXEESVSA-N 1 1 194.278 2.295 10 0 AEAEMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cocn1 683351999 487089441 /nfs/dbraw/zinc/08/94/41/487089441.db2.gz UTUSSMLHYMQTQJ-GXSJLCMTSA-N 1 1 194.278 2.295 10 0 AEAEMO C[C@@H]1CC[N@@H+](Cc2cocn2)C[C@@H]1C 683352101 487089514 /nfs/dbraw/zinc/08/95/14/487089514.db2.gz XHQUXXOPJARZSC-ZJUUUORDSA-N 1 1 194.278 2.153 10 0 AEAEMO C[C@@H]1CCC[N@@H+](Cc2cocn2)CC1 683352654 487089533 /nfs/dbraw/zinc/08/95/33/487089533.db2.gz JBURHUNKLMUENP-SNVBAGLBSA-N 1 1 194.278 2.297 10 0 AEAEMO C[C@H]1CC[N@@H+](Cc2cocn2)C[C@@H]1C 683352098 487089567 /nfs/dbraw/zinc/08/95/67/487089567.db2.gz XHQUXXOPJARZSC-UWVGGRQHSA-N 1 1 194.278 2.153 10 0 AEAEMO CCCC[N@H+](Cc1cocn1)C1CC1 683351358 487089760 /nfs/dbraw/zinc/08/97/60/487089760.db2.gz YTIDPSLMNPKFQY-UHFFFAOYSA-N 1 1 194.278 2.439 10 0 AEAEMO CCCC[N@@H+](Cc1cocn1)C1CC1 683351358 487089765 /nfs/dbraw/zinc/08/97/65/487089765.db2.gz YTIDPSLMNPKFQY-UHFFFAOYSA-N 1 1 194.278 2.439 10 0 AEAEMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2cocn2)C1 683351492 487089774 /nfs/dbraw/zinc/08/97/74/487089774.db2.gz GOPMOYWYKUTHST-NXEZZACHSA-N 1 1 194.278 2.295 10 0 AEAEMO C[C@@H]1C[N@H+](Cc2cocn2)CC[C@H]1C 683352096 487089796 /nfs/dbraw/zinc/08/97/96/487089796.db2.gz XHQUXXOPJARZSC-NXEZZACHSA-N 1 1 194.278 2.153 10 0 AEAEMO C[C@@H]1CCC[N@@H+](Cc2cocn2)[C@@H]1C 683352938 487089808 /nfs/dbraw/zinc/08/98/08/487089808.db2.gz NTJOATMLCDEQGK-NXEZZACHSA-N 1 1 194.278 2.295 10 0 AEAEMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cocn1 683354862 487090240 /nfs/dbraw/zinc/09/02/40/487090240.db2.gz IXOKMBCFGJOEGK-GXSJLCMTSA-N 1 1 194.278 2.295 10 0 AEAEMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cocn1 683354864 487090436 /nfs/dbraw/zinc/09/04/36/487090436.db2.gz IXOKMBCFGJOEGK-MWLCHTKSSA-N 1 1 194.278 2.295 10 0 AEAEMO c1nc(C[N@@H+]2CCCC3(CC3)C2)co1 683355528 487090488 /nfs/dbraw/zinc/09/04/88/487090488.db2.gz XFJFOSVBHTVDSR-UHFFFAOYSA-N 1 1 192.262 2.051 10 0 AEAEMO c1nc(C[N@H+]2CCCC3(CC3)C2)co1 683355528 487090493 /nfs/dbraw/zinc/09/04/93/487090493.db2.gz XFJFOSVBHTVDSR-UHFFFAOYSA-N 1 1 192.262 2.051 10 0 AEAEMO C[C@@H]1CCCC[N@@H+](Cc2cocn2)C1 683355310 487090572 /nfs/dbraw/zinc/09/05/72/487090572.db2.gz RRZAPEYYFLGINJ-SNVBAGLBSA-N 1 1 194.278 2.297 10 0 AEAEMO CC[N@@H+](CCC1CC1)Cc1cocn1 683354992 487090705 /nfs/dbraw/zinc/09/07/05/487090705.db2.gz KFTFQRKZZYRQBT-UHFFFAOYSA-N 1 1 194.278 2.297 10 0 AEAEMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cocn1 683354865 487090839 /nfs/dbraw/zinc/09/08/39/487090839.db2.gz IXOKMBCFGJOEGK-ONGXEEELSA-N 1 1 194.278 2.295 10 0 AEAEMO C[C@H]1CCCC[N@@H+](Cc2cocn2)C1 683355309 487091069 /nfs/dbraw/zinc/09/10/69/487091069.db2.gz RRZAPEYYFLGINJ-JTQLQIEISA-N 1 1 194.278 2.297 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCC12CCOCC2 683525956 487092264 /nfs/dbraw/zinc/09/22/64/487092264.db2.gz NQYDQKSQJFBMDI-NSHDSACASA-N 1 1 197.322 2.287 10 0 AEAEMO CC(C)=CC[N@H+]1CCC12CCOCC2 683527609 487092310 /nfs/dbraw/zinc/09/23/10/487092310.db2.gz YOMQIYMPNTXMCH-UHFFFAOYSA-N 1 1 195.306 2.208 10 0 AEAEMO CC(C)CC[N@H+]1CCC12CCOCC2 683524169 487092328 /nfs/dbraw/zinc/09/23/28/487092328.db2.gz DUYXUSHIIQEXFI-UHFFFAOYSA-N 1 1 197.322 2.287 10 0 AEAEMO CCCCC[N@H+]1CCC12CCOCC2 683523774 487092398 /nfs/dbraw/zinc/09/23/98/487092398.db2.gz APCGQGQLFUWWGT-UHFFFAOYSA-N 1 1 197.322 2.432 10 0 AEAEMO CC(C)[N@H+](CC1CCC1)C[C@H](C)CO 683527848 487092744 /nfs/dbraw/zinc/09/27/44/487092744.db2.gz MXGDJWAMPCEOMD-NSHDSACASA-N 1 1 199.338 2.125 10 0 AEAEMO C1CC(C[N@H+]2CCC23CCOCC3)C1 683526413 487092754 /nfs/dbraw/zinc/09/27/54/487092754.db2.gz RKOSHJNLHPKRNE-UHFFFAOYSA-N 1 1 195.306 2.041 10 0 AEAEMO CC(C)[N@H+](CC1CCC1)C[C@@H](C)CO 683527847 487092785 /nfs/dbraw/zinc/09/27/85/487092785.db2.gz MXGDJWAMPCEOMD-LLVKDONJSA-N 1 1 199.338 2.125 10 0 AEAEMO C1CC2(CCO1)CC[N@@H+]2CCC1CC1 683525447 487092839 /nfs/dbraw/zinc/09/28/39/487092839.db2.gz WUTMJNONJKMCNS-UHFFFAOYSA-N 1 1 195.306 2.041 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CCC12CCOCC2 683525955 487092926 /nfs/dbraw/zinc/09/29/26/487092926.db2.gz NQYDQKSQJFBMDI-LLVKDONJSA-N 1 1 197.322 2.287 10 0 AEAEMO C[N@@H+](C[C@H]1CCCO1)CC1(C)CCC1 683696499 487094351 /nfs/dbraw/zinc/09/43/51/487094351.db2.gz MQXZQTFZFIHZKM-LLVKDONJSA-N 1 1 197.322 2.287 10 0 AEAEMO C[C@@H]1COCCC[N@H+]1CC1(C)CCC1 683700286 487094370 /nfs/dbraw/zinc/09/43/70/487094370.db2.gz VIUJTFRLAIBCNC-LLVKDONJSA-N 1 1 197.322 2.287 10 0 AEAEMO C[N@@H+](Cc1cc[nH]n1)CC1(C)CCC1 683700018 487094394 /nfs/dbraw/zinc/09/43/94/487094394.db2.gz YTFDPMRHANORKZ-UHFFFAOYSA-N 1 1 193.294 2.032 10 0 AEAEMO C[N@@H+](C[C@@H]1CCCO1)CC1(C)CCC1 683696500 487094403 /nfs/dbraw/zinc/09/44/03/487094403.db2.gz MQXZQTFZFIHZKM-NSHDSACASA-N 1 1 197.322 2.287 10 0 AEAEMO C[N@@H+](Cc1cn[nH]c1)CC1(C)CCC1 683699363 487094411 /nfs/dbraw/zinc/09/44/11/487094411.db2.gz QRJMJSDBFXRHRS-UHFFFAOYSA-N 1 1 193.294 2.032 10 0 AEAEMO CC[C@H]1C[N@@H+](CC2(C)CCC2)CCO1 683696568 487094464 /nfs/dbraw/zinc/09/44/64/487094464.db2.gz QMEJZKOJDARUSQ-NSHDSACASA-N 1 1 197.322 2.287 10 0 AEAEMO COC[C@H]1CC[N@@H+](CC2(C)CCC2)C1 683699699 487094497 /nfs/dbraw/zinc/09/44/97/487094497.db2.gz UMKXRPHSGPPHMA-NSHDSACASA-N 1 1 197.322 2.145 10 0 AEAEMO CC(C)[N@@H+](C[C@@H](C)O)CC1(C)CCC1 683697408 487094549 /nfs/dbraw/zinc/09/45/49/487094549.db2.gz FLWAJEQVTZUFIT-LLVKDONJSA-N 1 1 199.338 2.268 10 0 AEAEMO C[N@@H+](C[C@H]1CCOC1)CC1(C)CCC1 683701193 487094602 /nfs/dbraw/zinc/09/46/02/487094602.db2.gz KQXILZOMPKWRPN-LLVKDONJSA-N 1 1 197.322 2.145 10 0 AEAEMO CC[C@@H]1C[N@@H+](CC2(C)CCC2)CCO1 683696567 487094790 /nfs/dbraw/zinc/09/47/90/487094790.db2.gz QMEJZKOJDARUSQ-LLVKDONJSA-N 1 1 197.322 2.287 10 0 AEAEMO C[N@@H+](C[C@@H]1CCOC1)CC1(C)CCC1 683701194 487094897 /nfs/dbraw/zinc/09/48/97/487094897.db2.gz KQXILZOMPKWRPN-NSHDSACASA-N 1 1 197.322 2.145 10 0 AEAEMO CC1(C[N@H+]2CCOC(C)(C)C2)CCC1 683696662 487094941 /nfs/dbraw/zinc/09/49/41/487094941.db2.gz BKZXCWIXMHTXNW-UHFFFAOYSA-N 1 1 197.322 2.287 10 0 AEAEMO COC[C@@H]1CC[N@@H+](CC2(C)CCC2)C1 683699698 487095053 /nfs/dbraw/zinc/09/50/53/487095053.db2.gz UMKXRPHSGPPHMA-LLVKDONJSA-N 1 1 197.322 2.145 10 0 AEAEMO CC[N@@H+](C)Cc1ccc(C)c(OC)c1 683696518 487095085 /nfs/dbraw/zinc/09/50/85/487095085.db2.gz NEVXHYYAEQFYBB-UHFFFAOYSA-N 1 1 193.290 2.455 10 0 AEAEMO C[C@H]1COCCC[N@H+]1CC1(C)CCC1 683700288 487095099 /nfs/dbraw/zinc/09/50/99/487095099.db2.gz VIUJTFRLAIBCNC-NSHDSACASA-N 1 1 197.322 2.287 10 0 AEAEMO CC(C)[N@@H+](C[C@H](C)O)CC1(C)CCC1 683697409 487095132 /nfs/dbraw/zinc/09/51/32/487095132.db2.gz FLWAJEQVTZUFIT-NSHDSACASA-N 1 1 199.338 2.268 10 0 AEAEMO C[N@H+](Cc1ccon1)CC1(C)CCC1 683699045 487095210 /nfs/dbraw/zinc/09/52/10/487095210.db2.gz IUWCYPYBLLHMNH-UHFFFAOYSA-N 1 1 194.278 2.297 10 0 AEAEMO C[N@@H+](Cc1ccon1)CC1(C)CCC1 683699045 487095216 /nfs/dbraw/zinc/09/52/16/487095216.db2.gz IUWCYPYBLLHMNH-UHFFFAOYSA-N 1 1 194.278 2.297 10 0 AEAEMO C[N@@H+](CC1(C)CCC1)CC1(O)CCC1 683709087 487095736 /nfs/dbraw/zinc/09/57/36/487095736.db2.gz PZWZGRIKSJLRQM-UHFFFAOYSA-N 1 1 197.322 2.023 10 0 AEAEMO Cc1[nH+]ccn1C[C@@H]1CCO[C@@H](C)C1 683738898 487096453 /nfs/dbraw/zinc/09/64/53/487096453.db2.gz KNXHNXALZKTODN-GXSJLCMTSA-N 1 1 194.278 2.007 10 0 AEAEMO Cc1[nH+]ccn1C[C@@H]1CCO[C@H](C)C1 683738901 487096503 /nfs/dbraw/zinc/09/65/03/487096503.db2.gz KNXHNXALZKTODN-MWLCHTKSSA-N 1 1 194.278 2.007 10 0 AEAEMO Cc1[nH+]ccn1C[C@H]1CCO[C@H](C)C1 683738899 487096526 /nfs/dbraw/zinc/09/65/26/487096526.db2.gz KNXHNXALZKTODN-KOLCDFICSA-N 1 1 194.278 2.007 10 0 AEAEMO Cc1[nH+]ccn1C[C@H]1CCO[C@@H](C)C1 683738902 487097033 /nfs/dbraw/zinc/09/70/33/487097033.db2.gz KNXHNXALZKTODN-ONGXEEELSA-N 1 1 194.278 2.007 10 0 AEAEMO C[C@@H](O)CCC[N@@H+](C)C1(C)CCCC1 683804699 487098679 /nfs/dbraw/zinc/09/86/79/487098679.db2.gz CNGRWIQFSJDQQN-LLVKDONJSA-N 1 1 199.338 2.412 10 0 AEAEMO C[N@@H+](CCC(C)(C)O)C1(C)CCCC1 683804872 487098880 /nfs/dbraw/zinc/09/88/80/487098880.db2.gz FXWIGKVRQSIZJN-UHFFFAOYSA-N 1 1 199.338 2.412 10 0 AEAEMO C[N@@H+](CC1(C)COC1)C1(C)CCCC1 683805488 487098922 /nfs/dbraw/zinc/09/89/22/487098922.db2.gz NVHBNETVJFLCBV-UHFFFAOYSA-N 1 1 197.322 2.287 10 0 AEAEMO C[C@H](O)CCC[N@@H+](C)C1(C)CCCC1 683804703 487099089 /nfs/dbraw/zinc/09/90/89/487099089.db2.gz CNGRWIQFSJDQQN-NSHDSACASA-N 1 1 199.338 2.412 10 0 AEAEMO CC1(C[N@H+]2CCCOC(C)(C)C2)CC1 683829894 487100224 /nfs/dbraw/zinc/10/02/24/487100224.db2.gz CPEFACXXJAFODH-UHFFFAOYSA-N 1 1 197.322 2.287 10 0 AEAEMO Cc1cc(C[N@@H+](C)CC2(C)CC2)no1 683826714 487100236 /nfs/dbraw/zinc/10/02/36/487100236.db2.gz MFDGUMYKPYTDTA-UHFFFAOYSA-N 1 1 194.278 2.215 10 0 AEAEMO Cc1cc(C[N@H+](C)CC2(C)CC2)no1 683826714 487100240 /nfs/dbraw/zinc/10/02/40/487100240.db2.gz MFDGUMYKPYTDTA-UHFFFAOYSA-N 1 1 194.278 2.215 10 0 AEAEMO CO[C@H]1C[N@@H+](CC2(C)CC2)CC[C@@H]1C 683839306 487101086 /nfs/dbraw/zinc/10/10/86/487101086.db2.gz HRFJTZMMZNFSNI-QWRGUYRKSA-N 1 1 197.322 2.143 10 0 AEAEMO CO[C@@H]1C[N@@H+](CC2(C)CC2)CC[C@H]1C 683839303 487101172 /nfs/dbraw/zinc/10/11/72/487101172.db2.gz HRFJTZMMZNFSNI-GHMZBOCLSA-N 1 1 197.322 2.143 10 0 AEAEMO CO[C@H]1C[N@@H+](CC2(C)CC2)CC[C@H]1C 683839304 487101242 /nfs/dbraw/zinc/10/12/42/487101242.db2.gz HRFJTZMMZNFSNI-MNOVXSKESA-N 1 1 197.322 2.143 10 0 AEAEMO COCC1=CC[N@@H+](CC2(C)CC2)CC1 683837708 487101285 /nfs/dbraw/zinc/10/12/85/487101285.db2.gz CUZSNYMHPHVZPD-UHFFFAOYSA-N 1 1 195.306 2.065 10 0 AEAEMO CO[C@@H]1C[N@@H+](CC2(C)CC2)CC[C@@H]1C 683839308 487101444 /nfs/dbraw/zinc/10/14/44/487101444.db2.gz HRFJTZMMZNFSNI-WDEREUQCSA-N 1 1 197.322 2.143 10 0 AEAEMO C[N@@H+](CC1(C)CC1)[C@H]1CC[C@H](O)CC1 683838989 487101529 /nfs/dbraw/zinc/10/15/29/487101529.db2.gz CGPGQHGSEISIHH-XYPYZODXSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCC[N@H+]1CCC[C@@H]1c1cc[nH]n1 683896969 487103350 /nfs/dbraw/zinc/10/33/50/487103350.db2.gz GJBUKJPCZNRMFT-LLVKDONJSA-N 1 1 193.294 2.347 10 0 AEAEMO CCCC[N@H+]1CCC[C@H]1c1cc[nH]n1 683896970 487103645 /nfs/dbraw/zinc/10/36/45/487103645.db2.gz GJBUKJPCZNRMFT-NSHDSACASA-N 1 1 193.294 2.347 10 0 AEAEMO Cc1nc(C)c(C[N@@H+]2CC[C@H](C)C2)o1 683897965 487103813 /nfs/dbraw/zinc/10/38/13/487103813.db2.gz HSJVOJVWEBVNQR-QMMMGPOBSA-N 1 1 194.278 2.133 10 0 AEAEMO Cc1nc(C)c(C[N@H+](C)C2CCC2)o1 683897507 487103920 /nfs/dbraw/zinc/10/39/20/487103920.db2.gz AQDFGAOETAFYTJ-UHFFFAOYSA-N 1 1 194.278 2.276 10 0 AEAEMO CC[N@@H+](Cc1oc(C)nc1C)C1CC1 683897883 487103945 /nfs/dbraw/zinc/10/39/45/487103945.db2.gz DJXJEDFKSGKIKH-UHFFFAOYSA-N 1 1 194.278 2.276 10 0 AEAEMO Cc1nc(C)c(C[N@@H+]2CC[C@@H](C)C2)o1 683897964 487104112 /nfs/dbraw/zinc/10/41/12/487104112.db2.gz HSJVOJVWEBVNQR-MRVPVSSYSA-N 1 1 194.278 2.133 10 0 AEAEMO Cc1ccnc(C[N@H+]2[C@@H](C)C[C@H]2C)c1 684208343 487111720 /nfs/dbraw/zinc/11/17/20/487111720.db2.gz LJLZERSVLBFIPS-PHIMTYICSA-N 1 1 190.290 2.373 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1C[C@H]1CCC(C)(C)O1 684208256 487111849 /nfs/dbraw/zinc/11/18/49/487111849.db2.gz JFYJBIRTDMCNKE-OUAUKWLOSA-N 1 1 197.322 2.427 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1C[C@@H]1CCC(C)(C)O1 684208253 487112165 /nfs/dbraw/zinc/11/21/65/487112165.db2.gz JFYJBIRTDMCNKE-AXFHLTTASA-N 1 1 197.322 2.427 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1CC[C@H]1CCCCO1 684209108 487112845 /nfs/dbraw/zinc/11/28/45/487112845.db2.gz YOSOHMCICOIVJV-GRYCIOLGSA-N 1 1 197.322 2.428 10 0 AEAEMO CCc1cnc(C[N@@H+]2[C@@H](C)C[C@H]2C)o1 684208632 487112937 /nfs/dbraw/zinc/11/29/37/487112937.db2.gz PNEFMOBKHWIRHU-DTORHVGOSA-N 1 1 194.278 2.220 10 0 AEAEMO CCc1cnc(C[N@H+]2[C@@H](C)C[C@H]2C)o1 684208632 487112941 /nfs/dbraw/zinc/11/29/41/487112941.db2.gz PNEFMOBKHWIRHU-DTORHVGOSA-N 1 1 194.278 2.220 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1C[C@H]1CCO[C@H](C)C1 684209421 487112991 /nfs/dbraw/zinc/11/29/91/487112991.db2.gz ANONQWLZSRLQLB-KXNHARMFSA-N 1 1 197.322 2.284 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1[C@H](C)c1cnccn1 684210378 487113132 /nfs/dbraw/zinc/11/31/32/487113132.db2.gz VMTAANPKVJWRRD-KXUCPTDWSA-N 1 1 191.278 2.020 10 0 AEAEMO CCc1cnc(C[NH+]2[C@H](C)C[C@H]2C)o1 684208634 487113145 /nfs/dbraw/zinc/11/31/45/487113145.db2.gz PNEFMOBKHWIRHU-RKDXNWHRSA-N 1 1 194.278 2.220 10 0 AEAEMO CCc1cnc(C[NH+]2[C@@H](C)C[C@@H]2C)o1 684208633 487113206 /nfs/dbraw/zinc/11/32/06/487113206.db2.gz PNEFMOBKHWIRHU-IUCAKERBSA-N 1 1 194.278 2.220 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1CC[C@@H]1CCCCO1 684209110 487113404 /nfs/dbraw/zinc/11/34/04/487113404.db2.gz YOSOHMCICOIVJV-TUAOUCFPSA-N 1 1 197.322 2.428 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1C[C@@H]1CCO[C@H](C)C1 684209423 487113441 /nfs/dbraw/zinc/11/34/41/487113441.db2.gz ANONQWLZSRLQLB-WRWGMCAJSA-N 1 1 197.322 2.284 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1[C@@H](C)c1cnccn1 684210376 487113497 /nfs/dbraw/zinc/11/34/97/487113497.db2.gz VMTAANPKVJWRRD-AEJSXWLSSA-N 1 1 191.278 2.020 10 0 AEAEMO CCC[C@H](O)C[N@H+]1CCCCC[C@H]1C 251097243 487114783 /nfs/dbraw/zinc/11/47/83/487114783.db2.gz COFDKBPPYSOCEG-NEPJUHHUSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC[C@@H](O)C[N@H+]1CCCCC[C@H]1C 251097246 487115037 /nfs/dbraw/zinc/11/50/37/487115037.db2.gz COFDKBPPYSOCEG-VXGBXAGGSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC[C@H](O)C[N@H+]1C[C@@H](C)CC[C@H]1C 251145150 487115484 /nfs/dbraw/zinc/11/54/84/487115484.db2.gz LXOVGNWHWGBZNZ-TUAOUCFPSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H](O)C[N@H+]1C[C@H](C)CC[C@H]1C 251145153 487115547 /nfs/dbraw/zinc/11/55/47/487115547.db2.gz LXOVGNWHWGBZNZ-UTUOFQBUSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H](C)C[N@H+]1C[C@@H](C)NC[C@H]1C 251289695 487116257 /nfs/dbraw/zinc/11/62/57/487116257.db2.gz HJVKODGTCBJIIQ-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)CN1C[C@@H](C)[NH2+]C[C@H]1C 251289695 487116262 /nfs/dbraw/zinc/11/62/62/487116262.db2.gz HJVKODGTCBJIIQ-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)C[N@H+]1C[C@H](C)NC[C@H]1C 251289698 487116466 /nfs/dbraw/zinc/11/64/66/487116466.db2.gz HJVKODGTCBJIIQ-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)CN1C[C@H](C)[NH2+]C[C@H]1C 251289698 487116471 /nfs/dbraw/zinc/11/64/71/487116471.db2.gz HJVKODGTCBJIIQ-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H](C)CN1CCCC[C@H]1C[NH3+] 251310490 487116921 /nfs/dbraw/zinc/11/69/21/487116921.db2.gz KHZMXQGNNCDAGQ-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCCC[C@H]1CN 251310494 487116911 /nfs/dbraw/zinc/11/69/11/487116911.db2.gz KHZMXQGNNCDAGQ-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H](C)CN1CCCC[C@H]1C[NH3+] 251310494 487116914 /nfs/dbraw/zinc/11/69/14/487116914.db2.gz KHZMXQGNNCDAGQ-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCCC[C@H]1CN 251310490 487116918 /nfs/dbraw/zinc/11/69/18/487116918.db2.gz KHZMXQGNNCDAGQ-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H](C)CN1CCC[C@H]1C[NH2+]C 251394879 487118218 /nfs/dbraw/zinc/11/82/18/487118218.db2.gz YSYXRTDYBHMGEM-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](C)CN1CCC[C@H]1C[NH2+]C 251394877 487118272 /nfs/dbraw/zinc/11/82/72/487118272.db2.gz YSYXRTDYBHMGEM-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[N@@H+](C)CCCc1ccc(C)nc1 684356365 487118367 /nfs/dbraw/zinc/11/83/67/487118367.db2.gz YGJWSNXXLFXZCJ-UHFFFAOYSA-N 1 1 192.306 2.274 10 0 AEAEMO C[N@H+](Cc1cccnc1)CC1(F)CC1 684392922 487120561 /nfs/dbraw/zinc/12/05/61/487120561.db2.gz UBGIAKXVMAEWPF-UHFFFAOYSA-N 1 1 194.253 2.016 10 0 AEAEMO C[N@@H+](Cc1cccnc1)CC1(F)CC1 684392922 487120566 /nfs/dbraw/zinc/12/05/66/487120566.db2.gz UBGIAKXVMAEWPF-UHFFFAOYSA-N 1 1 194.253 2.016 10 0 AEAEMO C[N@H+](Cc1ccccn1)CC1(F)CC1 684394389 487120835 /nfs/dbraw/zinc/12/08/35/487120835.db2.gz KDQRRVJWVWPRGF-UHFFFAOYSA-N 1 1 194.253 2.016 10 0 AEAEMO C[N@@H+](Cc1ccccn1)CC1(F)CC1 684394389 487120842 /nfs/dbraw/zinc/12/08/42/487120842.db2.gz KDQRRVJWVWPRGF-UHFFFAOYSA-N 1 1 194.253 2.016 10 0 AEAEMO C[N@H+](Cc1ccncc1)CC1(F)CC1 684394957 487121164 /nfs/dbraw/zinc/12/11/64/487121164.db2.gz QUSIGBDJKKXSQQ-UHFFFAOYSA-N 1 1 194.253 2.016 10 0 AEAEMO C[N@@H+](Cc1ccncc1)CC1(F)CC1 684394957 487121170 /nfs/dbraw/zinc/12/11/70/487121170.db2.gz QUSIGBDJKKXSQQ-UHFFFAOYSA-N 1 1 194.253 2.016 10 0 AEAEMO CC[N@H+](CC1CCC1)C[C@@H](C)COC 684429097 487121806 /nfs/dbraw/zinc/12/18/06/487121806.db2.gz POACQPIBOBDDQX-LLVKDONJSA-N 1 1 199.338 2.391 10 0 AEAEMO CC[N@H+](Cc1cocn1)CC1CCC1 684428259 487121817 /nfs/dbraw/zinc/12/18/17/487121817.db2.gz FCWAGXSICULSON-UHFFFAOYSA-N 1 1 194.278 2.297 10 0 AEAEMO CC[N@H+](CC1CCC1)C[C@H](C)COC 684429104 487122121 /nfs/dbraw/zinc/12/21/21/487122121.db2.gz POACQPIBOBDDQX-NSHDSACASA-N 1 1 199.338 2.391 10 0 AEAEMO CC(C)C[C@H](N)C[N@H+]1CCC[C@H](C)C1 252125589 487122258 /nfs/dbraw/zinc/12/22/58/487122258.db2.gz KABZWDQUMIVSND-RYUDHWBXSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@H]([NH3+])CN1CCC[C@H](C)C1 252125589 487122264 /nfs/dbraw/zinc/12/22/64/487122264.db2.gz KABZWDQUMIVSND-RYUDHWBXSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@H]([NH3+])CN1CCCC[C@H]1C 252198713 487122843 /nfs/dbraw/zinc/12/28/43/487122843.db2.gz SUVAMUCGODMVOO-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@H](N)C[N@@H+]1CCCC[C@H]1C 252198713 487122847 /nfs/dbraw/zinc/12/28/47/487122847.db2.gz SUVAMUCGODMVOO-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@H](N)C[N@H+]1CCCC[C@H]1C 252198713 487122851 /nfs/dbraw/zinc/12/28/51/487122851.db2.gz SUVAMUCGODMVOO-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@H]([NH3+])C[N@H+]1CCCC[C@H]1C 252198713 487122838 /nfs/dbraw/zinc/12/28/38/487122838.db2.gz SUVAMUCGODMVOO-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@H](N)C[N@@H+](C)[C@H](C)C1CC1 252418216 487124322 /nfs/dbraw/zinc/12/43/22/487124322.db2.gz VGSFGLWUMREETB-PWSUYJOCSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@H]([NH3+])CN(C)[C@H](C)C1CC1 252418216 487124325 /nfs/dbraw/zinc/12/43/25/487124325.db2.gz VGSFGLWUMREETB-PWSUYJOCSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@@H](N)C[N@@H+](C)[C@H](C)C1CC1 252418217 487124377 /nfs/dbraw/zinc/12/43/77/487124377.db2.gz VGSFGLWUMREETB-ZYHUDNBSSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@@H]([NH3+])CN(C)[C@H](C)C1CC1 252418217 487124379 /nfs/dbraw/zinc/12/43/79/487124379.db2.gz VGSFGLWUMREETB-ZYHUDNBSSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)CC[C@@H](O)C[N@@H+](C)CC1CC1 684606487 487124517 /nfs/dbraw/zinc/12/45/17/487124517.db2.gz LCABXURQYHMHNQ-GFCCVEGCSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)CC[C@H](O)C[N@@H+](C)CC1CC1 684606488 487124947 /nfs/dbraw/zinc/12/49/47/487124947.db2.gz LCABXURQYHMHNQ-LBPRGKRZSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](C)[N@@H+](C)Cc1ccnc(C)n1 684619192 487125316 /nfs/dbraw/zinc/12/53/16/487125316.db2.gz HEXKXAVGYCSZRZ-VIFPVBQESA-N 1 1 193.294 2.015 10 0 AEAEMO CC1=C(C)C[N@H+](Cc2cocn2)CC1 684614624 487125341 /nfs/dbraw/zinc/12/53/41/487125341.db2.gz WYWXUNXOGCMWBF-UHFFFAOYSA-N 1 1 192.262 2.217 10 0 AEAEMO CC1=C(C)C[N@@H+](Cc2cocn2)CC1 684614624 487125343 /nfs/dbraw/zinc/12/53/43/487125343.db2.gz WYWXUNXOGCMWBF-UHFFFAOYSA-N 1 1 192.262 2.217 10 0 AEAEMO CC(C)CC[C@@H](O)C[N@H+]1[C@@H](C)C[C@H]1C 684607915 487125352 /nfs/dbraw/zinc/12/53/52/487125352.db2.gz PHVKNEMVYIUEEZ-GRYCIOLGSA-N 1 1 199.338 2.266 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)Cc1ccnc(C)n1 684619191 487125510 /nfs/dbraw/zinc/12/55/10/487125510.db2.gz HEXKXAVGYCSZRZ-SECBINFHSA-N 1 1 193.294 2.015 10 0 AEAEMO CC(C)CC[C@H](O)C[N@H+]1[C@@H](C)C[C@H]1C 684607917 487125770 /nfs/dbraw/zinc/12/57/70/487125770.db2.gz PHVKNEMVYIUEEZ-TUAOUCFPSA-N 1 1 199.338 2.266 10 0 AEAEMO CCCC[N@@H+](C)Cc1ccnc(C)n1 684616629 487125905 /nfs/dbraw/zinc/12/59/05/487125905.db2.gz UVPIBNQBCVHZHL-UHFFFAOYSA-N 1 1 193.294 2.017 10 0 AEAEMO COC[C@@H](C)C[N@H+]1CCC(C)=C(C)C1 684614573 487125938 /nfs/dbraw/zinc/12/59/38/487125938.db2.gz PGZRDCYVDUNBLW-JTQLQIEISA-N 1 1 197.322 2.311 10 0 AEAEMO C[C@H](O)CC[N@H+]1C[C@H](C)C[C@H](C)[C@@H]1C 253111530 487131367 /nfs/dbraw/zinc/13/13/67/487131367.db2.gz XUAPSPREEDSIKH-RHYQMDGZSA-N 1 1 199.338 2.124 10 0 AEAEMO COC[C@H](C)C[N@H+]1CCC(C)=C(C)C1 684614574 487126296 /nfs/dbraw/zinc/12/62/96/487126296.db2.gz PGZRDCYVDUNBLW-SNVBAGLBSA-N 1 1 197.322 2.311 10 0 AEAEMO CC[N@@H+](CC1CCC1)CC1(O)CCC1 684624123 487126801 /nfs/dbraw/zinc/12/68/01/487126801.db2.gz MUCFGVJSJRYMQV-UHFFFAOYSA-N 1 1 197.322 2.023 10 0 AEAEMO Cc1ccncc1C[N@@H+](C)CCCF 684623975 487127116 /nfs/dbraw/zinc/12/71/16/487127116.db2.gz OYWMJJOIWKLAAE-UHFFFAOYSA-N 1 1 196.269 2.181 10 0 AEAEMO CC[N@@H+](CC1CCC1)[C@@H]1CCCOC1 684623519 487127149 /nfs/dbraw/zinc/12/71/49/487127149.db2.gz FKPQTPQRVFHLRX-GFCCVEGCSA-N 1 1 197.322 2.287 10 0 AEAEMO CC[N@@H+](CCCOC)CC1CCC1 684623769 487127291 /nfs/dbraw/zinc/12/72/91/487127291.db2.gz GXWVNCCQAMSZBD-UHFFFAOYSA-N 1 1 185.311 2.145 10 0 AEAEMO CC[N@H+](Cc1ccon1)CC1CCC1 684623749 487127458 /nfs/dbraw/zinc/12/74/58/487127458.db2.gz GDEQLCDJCZOICK-UHFFFAOYSA-N 1 1 194.278 2.297 10 0 AEAEMO CC[N@@H+](CC1CCC1)[C@H]1CCCOC1 684623520 487127550 /nfs/dbraw/zinc/12/75/50/487127550.db2.gz FKPQTPQRVFHLRX-LBPRGKRZSA-N 1 1 197.322 2.287 10 0 AEAEMO CC[C@@H]1CCCCC[N@H+]1CC[C@H](C)O 252866756 487128278 /nfs/dbraw/zinc/12/82/78/487128278.db2.gz REHBOVMIPBENII-NWDGAFQWSA-N 1 1 199.338 2.412 10 0 AEAEMO CC[C@H]1CCCCC[N@H+]1CC[C@H](C)O 252866759 487128443 /nfs/dbraw/zinc/12/84/43/487128443.db2.gz REHBOVMIPBENII-RYUDHWBXSA-N 1 1 199.338 2.412 10 0 AEAEMO COCC[C@H](C)[N@H+]1CCC(C)=C(C)C1 684629396 487128516 /nfs/dbraw/zinc/12/85/16/487128516.db2.gz ADQABTXCOPGHNZ-LBPRGKRZSA-N 1 1 197.322 2.454 10 0 AEAEMO COCC[C@@H](C)[N@H+]1CCC(C)=C(C)C1 684629395 487128571 /nfs/dbraw/zinc/12/85/71/487128571.db2.gz ADQABTXCOPGHNZ-GFCCVEGCSA-N 1 1 197.322 2.454 10 0 AEAEMO COCCCC[N@H+]1CCC(C)=C(C)C1 684629438 487128804 /nfs/dbraw/zinc/12/88/04/487128804.db2.gz FFRJAWJESHYHHB-UHFFFAOYSA-N 1 1 197.322 2.455 10 0 AEAEMO COCCC[N@H+]1CCC(C)=C(C)C1 684629465 487129008 /nfs/dbraw/zinc/12/90/08/487129008.db2.gz HVOROJAWYCYJKF-UHFFFAOYSA-N 1 1 183.295 2.065 10 0 AEAEMO COCCCC[N@@H+]1CC(C)=C[C@H](C)C1 684669541 487129551 /nfs/dbraw/zinc/12/95/51/487129551.db2.gz SWRIFSMEYZUUFG-NSHDSACASA-N 1 1 197.322 2.311 10 0 AEAEMO CC1=C[C@@H](C)C[N@H+](CCC[C@H](C)O)C1 684669592 487129597 /nfs/dbraw/zinc/12/95/97/487129597.db2.gz WQVSFOMJIUBGSU-PWSUYJOCSA-N 1 1 197.322 2.045 10 0 AEAEMO COCC[C@H](C)[N@@H+]1CC(C)=C[C@@H](C)C1 684669514 487129623 /nfs/dbraw/zinc/12/96/23/487129623.db2.gz RQPSRZADAKHEGB-PWSUYJOCSA-N 1 1 197.322 2.309 10 0 AEAEMO CC1=C[C@H](C)C[N@H+](CCOC(C)C)C1 684669320 487129637 /nfs/dbraw/zinc/12/96/37/487129637.db2.gz AAKOSZILXAUZNQ-NSHDSACASA-N 1 1 197.322 2.309 10 0 AEAEMO CCOCCC[N@@H+]1CC(C)=C[C@H](C)C1 684669411 487129697 /nfs/dbraw/zinc/12/96/97/487129697.db2.gz JPILGNMNTRQDDZ-NSHDSACASA-N 1 1 197.322 2.311 10 0 AEAEMO COCC[C@@H](C)[N@@H+]1CC(C)=C[C@H](C)C1 684669512 487129713 /nfs/dbraw/zinc/12/97/13/487129713.db2.gz RQPSRZADAKHEGB-CMPLNLGQSA-N 1 1 197.322 2.309 10 0 AEAEMO COCC[C@H](C)[N@@H+]1CC(C)=C[C@H](C)C1 684669513 487129758 /nfs/dbraw/zinc/12/97/58/487129758.db2.gz RQPSRZADAKHEGB-JQWIXIFHSA-N 1 1 197.322 2.309 10 0 AEAEMO COCC[C@@H](C)[N@@H+]1CC(C)=C[C@@H](C)C1 684669515 487129763 /nfs/dbraw/zinc/12/97/63/487129763.db2.gz RQPSRZADAKHEGB-ZYHUDNBSSA-N 1 1 197.322 2.309 10 0 AEAEMO CC1=C[C@@H](C)C[N@H+](CCOC(C)C)C1 684669319 487129827 /nfs/dbraw/zinc/12/98/27/487129827.db2.gz AAKOSZILXAUZNQ-LLVKDONJSA-N 1 1 197.322 2.309 10 0 AEAEMO CCOCCC[N@@H+]1CC(C)=C[C@@H](C)C1 684669410 487129844 /nfs/dbraw/zinc/12/98/44/487129844.db2.gz JPILGNMNTRQDDZ-LLVKDONJSA-N 1 1 197.322 2.311 10 0 AEAEMO CC1=C[C@H](C)C[N@@H+](CCCCCO)C1 684669486 487129921 /nfs/dbraw/zinc/12/99/21/487129921.db2.gz PWGYXYVYCJYQES-NSHDSACASA-N 1 1 197.322 2.047 10 0 AEAEMO COCCCC[N@@H+]1CC(C)=C[C@@H](C)C1 684669540 487129945 /nfs/dbraw/zinc/12/99/45/487129945.db2.gz SWRIFSMEYZUUFG-LLVKDONJSA-N 1 1 197.322 2.311 10 0 AEAEMO CC1=C[C@H](C)C[N@H+](CCC[C@@H](C)O)C1 684669590 487129965 /nfs/dbraw/zinc/12/99/65/487129965.db2.gz WQVSFOMJIUBGSU-CMPLNLGQSA-N 1 1 197.322 2.045 10 0 AEAEMO CC1=C[C@H](C)C[N@H+](CCC[C@H](C)O)C1 684669591 487129900 /nfs/dbraw/zinc/12/99/00/487129900.db2.gz WQVSFOMJIUBGSU-JQWIXIFHSA-N 1 1 197.322 2.045 10 0 AEAEMO CC1=C[C@@H](C)C[N@H+](CCC[C@@H](C)O)C1 684669593 487130055 /nfs/dbraw/zinc/13/00/55/487130055.db2.gz WQVSFOMJIUBGSU-ZYHUDNBSSA-N 1 1 197.322 2.045 10 0 AEAEMO CC1=C[C@@H](C)C[N@@H+](CCCCCO)C1 684669485 487130066 /nfs/dbraw/zinc/13/00/66/487130066.db2.gz PWGYXYVYCJYQES-LLVKDONJSA-N 1 1 197.322 2.047 10 0 AEAEMO COC[C@H](C)C[N@@H+]1CC(C)=C[C@H](C)C1 684683935 487130397 /nfs/dbraw/zinc/13/03/97/487130397.db2.gz UXTIFXHQCGIVQF-CMPLNLGQSA-N 1 1 197.322 2.167 10 0 AEAEMO COC[C@@H](C)C[N@@H+]1CC(C)=C[C@H](C)C1 684683936 487130419 /nfs/dbraw/zinc/13/04/19/487130419.db2.gz UXTIFXHQCGIVQF-JQWIXIFHSA-N 1 1 197.322 2.167 10 0 AEAEMO CC1=C[C@H](C)C[N@H+](Cc2cocn2)C1 684682761 487130578 /nfs/dbraw/zinc/13/05/78/487130578.db2.gz AFRGUWCCWIHZPO-VIFPVBQESA-N 1 1 192.262 2.073 10 0 AEAEMO CC1=C[C@H](C)C[N@@H+](Cc2cocn2)C1 684682761 487130581 /nfs/dbraw/zinc/13/05/81/487130581.db2.gz AFRGUWCCWIHZPO-VIFPVBQESA-N 1 1 192.262 2.073 10 0 AEAEMO CC1=CCC[N@@H+](CCOCC2CC2)C1 684773659 487130590 /nfs/dbraw/zinc/13/05/90/487130590.db2.gz BYPNCNGERIZCGY-UHFFFAOYSA-N 1 1 195.306 2.065 10 0 AEAEMO CC1=C[C@@H](C)C[N@H+](Cc2cocn2)C1 684682760 487130796 /nfs/dbraw/zinc/13/07/96/487130796.db2.gz AFRGUWCCWIHZPO-SECBINFHSA-N 1 1 192.262 2.073 10 0 AEAEMO CC1=C[C@@H](C)C[N@@H+](Cc2cocn2)C1 684682760 487130800 /nfs/dbraw/zinc/13/08/00/487130800.db2.gz AFRGUWCCWIHZPO-SECBINFHSA-N 1 1 192.262 2.073 10 0 AEAEMO COC(C)(C)CC[N@H+]1CCC=C(C)C1 684773762 487130807 /nfs/dbraw/zinc/13/08/07/487130807.db2.gz HKRIBGUMTRYGJN-UHFFFAOYSA-N 1 1 197.322 2.454 10 0 AEAEMO COC[C@H](C)C[N@@H+]1CC(C)=C[C@@H](C)C1 684683938 487130839 /nfs/dbraw/zinc/13/08/39/487130839.db2.gz UXTIFXHQCGIVQF-ZYHUDNBSSA-N 1 1 197.322 2.167 10 0 AEAEMO CCOCCC[N@H+]1CCC=C(C)C1 684773672 487130856 /nfs/dbraw/zinc/13/08/56/487130856.db2.gz CHWOAVROHFKFLT-UHFFFAOYSA-N 1 1 183.295 2.065 10 0 AEAEMO COC[C@@H](C)C[N@@H+]1CC(C)=C[C@@H](C)C1 684683937 487130989 /nfs/dbraw/zinc/13/09/89/487130989.db2.gz UXTIFXHQCGIVQF-PWSUYJOCSA-N 1 1 197.322 2.167 10 0 AEAEMO CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O 253099300 487131238 /nfs/dbraw/zinc/13/12/38/487131238.db2.gz URPQBBWACXVBKI-UTUOFQBUSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)C[C@H](N)C[N@@H+]1C[C@@H](C)C[C@H]1C 253080800 487131425 /nfs/dbraw/zinc/13/14/25/487131425.db2.gz VTZWUZLBKJFOAC-TUAOUCFPSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@H](N)C[N@H+]1C[C@@H](C)C[C@H]1C 253080800 487131430 /nfs/dbraw/zinc/13/14/30/487131430.db2.gz VTZWUZLBKJFOAC-TUAOUCFPSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@H](N)C[N@@H+]1C[C@H](C)C[C@@H]1C 253080802 487131457 /nfs/dbraw/zinc/13/14/57/487131457.db2.gz VTZWUZLBKJFOAC-WOPDTQHZSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@H](N)C[N@H+]1C[C@H](C)C[C@@H]1C 253080802 487131459 /nfs/dbraw/zinc/13/14/59/487131459.db2.gz VTZWUZLBKJFOAC-WOPDTQHZSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O 253099299 487131648 /nfs/dbraw/zinc/13/16/48/487131648.db2.gz URPQBBWACXVBKI-QJPTWQEYSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H](O)CC[N@H+]1C[C@H](C)C[C@@H](C)[C@H]1C 253111533 487131693 /nfs/dbraw/zinc/13/16/93/487131693.db2.gz XUAPSPREEDSIKH-WISYIIOYSA-N 1 1 199.338 2.124 10 0 AEAEMO CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O 253099298 487131736 /nfs/dbraw/zinc/13/17/36/487131736.db2.gz URPQBBWACXVBKI-IJLUTSLNSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H](O)CC[N@H+]1C[C@H](C)C[C@H](C)[C@H]1C 253111529 487131808 /nfs/dbraw/zinc/13/18/08/487131808.db2.gz XUAPSPREEDSIKH-NOOOWODRSA-N 1 1 199.338 2.124 10 0 AEAEMO CC(C)C[C@H](N)C[N@@H+]1C[C@H](C)C[C@H]1C 253080801 487131989 /nfs/dbraw/zinc/13/19/89/487131989.db2.gz VTZWUZLBKJFOAC-UTUOFQBUSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@H](N)C[N@H+]1C[C@H](C)C[C@H]1C 253080801 487131995 /nfs/dbraw/zinc/13/19/95/487131995.db2.gz VTZWUZLBKJFOAC-UTUOFQBUSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H](O)CC[N@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C 253111534 487132165 /nfs/dbraw/zinc/13/21/65/487132165.db2.gz XUAPSPREEDSIKH-WYUUTHIRSA-N 1 1 199.338 2.124 10 0 AEAEMO COCC(C)(C)C[N@H+]1CCC=C(C)C1 684800122 487132812 /nfs/dbraw/zinc/13/28/12/487132812.db2.gz FJUGGAPOTWSDRM-UHFFFAOYSA-N 1 1 197.322 2.311 10 0 AEAEMO CC(C)(C)C(C)(C)CN[C@@H]1CC[NH2+]C1 258776481 487135566 /nfs/dbraw/zinc/13/55/66/487135566.db2.gz BGILGJYOGHWBHZ-SNVBAGLBSA-N 1 1 198.354 2.010 10 0 AEAEMO N[C@H]1CCC[C@H]1[NH2+]CCC1CCCC1 258892619 487135757 /nfs/dbraw/zinc/13/57/57/487135757.db2.gz HCFCCPYCVBRAKE-NWDGAFQWSA-N 1 1 196.338 2.036 10 0 AEAEMO N[C@H]1CCC[C@@H]1[NH2+]CCC1CCCC1 258892621 487135808 /nfs/dbraw/zinc/13/58/08/487135808.db2.gz HCFCCPYCVBRAKE-RYUDHWBXSA-N 1 1 196.338 2.036 10 0 AEAEMO N[C@@H]1CCC[C@@H]1[NH2+]CCC1CCCC1 258892618 487135944 /nfs/dbraw/zinc/13/59/44/487135944.db2.gz HCFCCPYCVBRAKE-NEPJUHHUSA-N 1 1 196.338 2.036 10 0 AEAEMO CC(C)(C)C(C)(C)CN[C@H]1CC[NH2+]C1 258776477 487136012 /nfs/dbraw/zinc/13/60/12/487136012.db2.gz BGILGJYOGHWBHZ-JTQLQIEISA-N 1 1 198.354 2.010 10 0 AEAEMO N[C@@H]1CCC[C@H]1[NH2+]CCC1CCCC1 258892622 487137072 /nfs/dbraw/zinc/13/70/72/487137072.db2.gz HCFCCPYCVBRAKE-VXGBXAGGSA-N 1 1 196.338 2.036 10 0 AEAEMO CC[N@@H+](C)Cc1cn(C(C)C)nc1C 684964304 487137767 /nfs/dbraw/zinc/13/77/67/487137767.db2.gz NMOTVVBEDWTRAF-UHFFFAOYSA-N 1 1 195.310 2.224 10 0 AEAEMO CCC(C)(C)[C@@H]1CCC[N@H+]1C[C@H](C)O 685003857 487139816 /nfs/dbraw/zinc/13/98/16/487139816.db2.gz PEXSWZSEFYGPFA-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC(C)(C)[C@@H]1CCC[N@H+]1C[C@@H](C)O 685003856 487139838 /nfs/dbraw/zinc/13/98/38/487139838.db2.gz PEXSWZSEFYGPFA-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO CCC(C)(C)[C@H]1CCC[N@H+]1C[C@@H](C)O 685003855 487139955 /nfs/dbraw/zinc/13/99/55/487139955.db2.gz PEXSWZSEFYGPFA-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC(C)(C)[C@H]1CCC[N@H+]1C[C@H](C)O 685003858 487139961 /nfs/dbraw/zinc/13/99/61/487139961.db2.gz PEXSWZSEFYGPFA-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@@H+](C)Cc1cnc(C(C)C)nc1 685040393 487141375 /nfs/dbraw/zinc/14/13/75/487141375.db2.gz GDQLLMFUBVAAGR-UHFFFAOYSA-N 1 1 193.294 2.052 10 0 AEAEMO C[N@@H+](CCCO)CC1CCCCCC1 685046288 487142580 /nfs/dbraw/zinc/14/25/80/487142580.db2.gz RERRGRRMIXDYPO-UHFFFAOYSA-N 1 1 199.338 2.271 10 0 AEAEMO C[N@@H+](CCCO)CCCC1CCCC1 685047325 487142620 /nfs/dbraw/zinc/14/26/20/487142620.db2.gz UCARHAIPQPVUAT-UHFFFAOYSA-N 1 1 199.338 2.271 10 0 AEAEMO C[C@@H]1CCC[N@H+]1C[C@H]1CCC[C@H](O)C1 300371634 487143519 /nfs/dbraw/zinc/14/35/19/487143519.db2.gz MNNUBLSCOWIZEZ-WOPDTQHZSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H](CO)[N@@H+](C)CCC1CCCCC1 300716657 487143621 /nfs/dbraw/zinc/14/36/21/487143621.db2.gz CRCKOFAHPDAMJC-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO C[C@@H]1CCC[N@H+]1C[C@H]1CCC[C@@H](O)C1 300371632 487143706 /nfs/dbraw/zinc/14/37/06/487143706.db2.gz MNNUBLSCOWIZEZ-GRYCIOLGSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1CCC[N@H+]1C[C@@H]1CCC[C@H](O)C1 300371633 487143720 /nfs/dbraw/zinc/14/37/20/487143720.db2.gz MNNUBLSCOWIZEZ-UTUOFQBUSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H](CO)[N@@H+](C)CCCC(C)(C)C 300777203 487144417 /nfs/dbraw/zinc/14/44/17/487144417.db2.gz MSTJBUGCIMBOPD-JTQLQIEISA-N 1 1 187.327 2.125 10 0 AEAEMO CO[C@H]1C[C@@H]([N@@H+](C)CC2(C)CCC2)C1 685438524 487144541 /nfs/dbraw/zinc/14/45/41/487144541.db2.gz YJMFEMPWKZJPAR-PHIMTYICSA-N 1 1 197.322 2.286 10 0 AEAEMO CN(C)CCC[N@H+](C)CC1(C)CCC1 685452103 487144611 /nfs/dbraw/zinc/14/46/11/487144611.db2.gz XXTPAWXNTKQBGH-UHFFFAOYSA-N 1 1 198.354 2.060 10 0 AEAEMO CN(C)CCC[N@@H+](C)CC1(C)CCC1 685452103 487144613 /nfs/dbraw/zinc/14/46/13/487144613.db2.gz XXTPAWXNTKQBGH-UHFFFAOYSA-N 1 1 198.354 2.060 10 0 AEAEMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1cocn1 685470955 487145406 /nfs/dbraw/zinc/14/54/06/487145406.db2.gz BZYNGNGYZOCHDW-ONGXEEELSA-N 1 1 194.278 2.438 10 0 AEAEMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cocn1 685470953 487145436 /nfs/dbraw/zinc/14/54/36/487145436.db2.gz BZYNGNGYZOCHDW-KOLCDFICSA-N 1 1 194.278 2.438 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)C[C@@H](O)C1CC1 685461257 487145451 /nfs/dbraw/zinc/14/54/51/487145451.db2.gz IXCFDDOFBNWOBF-CMPLNLGQSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cocn1 685470954 487145462 /nfs/dbraw/zinc/14/54/62/487145462.db2.gz BZYNGNGYZOCHDW-MWLCHTKSSA-N 1 1 194.278 2.438 10 0 AEAEMO C[C@H]1CCCC[C@H]1C[N@H+](C)[C@@H](C)CO 685458308 487145512 /nfs/dbraw/zinc/14/55/12/487145512.db2.gz CMABVVHTDAGGBP-SRVKXCTJSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H]1CCCC[C@@H]1C[N@H+](C)[C@@H](C)CO 685458307 487145657 /nfs/dbraw/zinc/14/56/57/487145657.db2.gz CMABVVHTDAGGBP-SDDRHHMPSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)C[C@H](O)C1CC1 685461258 487145723 /nfs/dbraw/zinc/14/57/23/487145723.db2.gz IXCFDDOFBNWOBF-JQWIXIFHSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cocn1 685470952 487145776 /nfs/dbraw/zinc/14/57/76/487145776.db2.gz BZYNGNGYZOCHDW-GXSJLCMTSA-N 1 1 194.278 2.438 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)C[C@H](O)C1CC1 685461259 487145851 /nfs/dbraw/zinc/14/58/51/487145851.db2.gz IXCFDDOFBNWOBF-PWSUYJOCSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)C[C@@H](O)C1CC1 685461260 487146043 /nfs/dbraw/zinc/14/60/43/487146043.db2.gz IXCFDDOFBNWOBF-ZYHUDNBSSA-N 1 1 199.338 2.125 10 0 AEAEMO Cc1nc(C)c(C[N@H+](C)CC(C)C)o1 685561765 487146676 /nfs/dbraw/zinc/14/66/76/487146676.db2.gz UKNTUTIMXLTLNZ-UHFFFAOYSA-N 1 1 196.294 2.379 10 0 AEAEMO CCOC1CC([N@@H+](C)C[C@H]2C[C@@H]2C)C1 685472319 487146702 /nfs/dbraw/zinc/14/67/02/487146702.db2.gz CZLMDLUQGPLFRU-DMOGRIERSA-N 1 1 197.322 2.142 10 0 AEAEMO CCOC1CC([N@@H+](C)C[C@H]2C[C@H]2C)C1 685472322 487146707 /nfs/dbraw/zinc/14/67/07/487146707.db2.gz CZLMDLUQGPLFRU-QYNFOATHSA-N 1 1 197.322 2.142 10 0 AEAEMO CCOC1CC([N@@H+](C)C[C@@H]2C[C@H]2C)C1 685472321 487146781 /nfs/dbraw/zinc/14/67/81/487146781.db2.gz CZLMDLUQGPLFRU-QKEWWQLBSA-N 1 1 197.322 2.142 10 0 AEAEMO CCOC1CC([N@@H+](C)CC2(C)CC2)C1 685472312 487146797 /nfs/dbraw/zinc/14/67/97/487146797.db2.gz BPRSMBNJXXTFHJ-UHFFFAOYSA-N 1 1 197.322 2.286 10 0 AEAEMO CCOC1CC([N@@H+](C)C[C@@H]2C[C@@H]2C)C1 685472320 487146942 /nfs/dbraw/zinc/14/69/42/487146942.db2.gz CZLMDLUQGPLFRU-JYBOHDQNSA-N 1 1 197.322 2.142 10 0 AEAEMO Cc1nc(C)c(C[N@H+]2[C@@H](C)C[C@H]2C)o1 685580581 487147805 /nfs/dbraw/zinc/14/78/05/487147805.db2.gz VTGRTOLDMMZVAQ-OCAPTIKFSA-N 1 1 194.278 2.274 10 0 AEAEMO Cc1nc(C)c(C[N@@H+]2CC=CCC2)o1 685571734 487147908 /nfs/dbraw/zinc/14/79/08/487147908.db2.gz IDPUSLNHAWELGR-UHFFFAOYSA-N 1 1 192.262 2.053 10 0 AEAEMO CCC[NH+](CCC)Cc1[nH]ncc1C 685832690 487149077 /nfs/dbraw/zinc/14/90/77/487149077.db2.gz JXYYNPLJEAQWMV-UHFFFAOYSA-N 1 1 195.310 2.340 10 0 AEAEMO CC[N@@H+](C)CC1Cc2ccccc2C1 685833440 487149937 /nfs/dbraw/zinc/14/99/37/487149937.db2.gz DWNQNGMRNIIRNH-UHFFFAOYSA-N 1 1 189.302 2.353 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)Cc1[nH]ncc1C 685834196 487150196 /nfs/dbraw/zinc/15/01/96/487150196.db2.gz OPUNHYMFKRFJPJ-SECBINFHSA-N 1 1 195.310 2.196 10 0 AEAEMO CC[C@@H](C)C[N@H+](C)Cc1n[nH]cc1C 685834196 487150199 /nfs/dbraw/zinc/15/01/99/487150199.db2.gz OPUNHYMFKRFJPJ-SECBINFHSA-N 1 1 195.310 2.196 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)Cc1n[nH]cc1C 685834196 487150203 /nfs/dbraw/zinc/15/02/03/487150203.db2.gz OPUNHYMFKRFJPJ-SECBINFHSA-N 1 1 195.310 2.196 10 0 AEAEMO CCC(C)(C)[N@@H+](C)Cc1n[nH]cc1C 685836970 487150223 /nfs/dbraw/zinc/15/02/23/487150223.db2.gz WOUPPXCTFLEARB-UHFFFAOYSA-N 1 1 195.310 2.339 10 0 AEAEMO CCC(C)(C)[N@H+](C)Cc1[nH]ncc1C 685836970 487150226 /nfs/dbraw/zinc/15/02/26/487150226.db2.gz WOUPPXCTFLEARB-UHFFFAOYSA-N 1 1 195.310 2.339 10 0 AEAEMO CCC(C)(C)[N@@H+](C)Cc1[nH]ncc1C 685836970 487150230 /nfs/dbraw/zinc/15/02/30/487150230.db2.gz WOUPPXCTFLEARB-UHFFFAOYSA-N 1 1 195.310 2.339 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)Cc1[nH]ncc1C 685834197 487150263 /nfs/dbraw/zinc/15/02/63/487150263.db2.gz OPUNHYMFKRFJPJ-VIFPVBQESA-N 1 1 195.310 2.196 10 0 AEAEMO CC[C@H](C)C[N@H+](C)Cc1n[nH]cc1C 685834197 487150267 /nfs/dbraw/zinc/15/02/67/487150267.db2.gz OPUNHYMFKRFJPJ-VIFPVBQESA-N 1 1 195.310 2.196 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)Cc1n[nH]cc1C 685834197 487150270 /nfs/dbraw/zinc/15/02/70/487150270.db2.gz OPUNHYMFKRFJPJ-VIFPVBQESA-N 1 1 195.310 2.196 10 0 AEAEMO CC[N@@H+](Cc1[nH]ncc1C)C1CCC1 685837896 487150443 /nfs/dbraw/zinc/15/04/43/487150443.db2.gz WTEWAGOXSAPQOX-UHFFFAOYSA-N 1 1 193.294 2.093 10 0 AEAEMO CC[N@H+](Cc1n[nH]cc1C)C1CCC1 685837896 487150447 /nfs/dbraw/zinc/15/04/47/487150447.db2.gz WTEWAGOXSAPQOX-UHFFFAOYSA-N 1 1 193.294 2.093 10 0 AEAEMO CC[N@@H+](Cc1n[nH]cc1C)C1CCC1 685837896 487150451 /nfs/dbraw/zinc/15/04/51/487150451.db2.gz WTEWAGOXSAPQOX-UHFFFAOYSA-N 1 1 193.294 2.093 10 0 AEAEMO CC[C@@H]1CC[N@H+]1Cc1cccn1C 306155109 487150579 /nfs/dbraw/zinc/15/05/79/487150579.db2.gz BZNSEOGFQAUYDQ-SNVBAGLBSA-N 1 1 178.279 2.009 10 0 AEAEMO CCC[N@@H+](Cc1[nH]ncc1C)C1CC1 685833799 487150627 /nfs/dbraw/zinc/15/06/27/487150627.db2.gz GDJDELNZJGSQRM-UHFFFAOYSA-N 1 1 193.294 2.093 10 0 AEAEMO CC[C@H]1CC[N@H+]1Cc1cccn1C 306155106 487150628 /nfs/dbraw/zinc/15/06/28/487150628.db2.gz BZNSEOGFQAUYDQ-JTQLQIEISA-N 1 1 178.279 2.009 10 0 AEAEMO CCC[N@H+](Cc1n[nH]cc1C)C1CC1 685833799 487150629 /nfs/dbraw/zinc/15/06/29/487150629.db2.gz GDJDELNZJGSQRM-UHFFFAOYSA-N 1 1 193.294 2.093 10 0 AEAEMO CCC[N@@H+](Cc1n[nH]cc1C)C1CC1 685833799 487150634 /nfs/dbraw/zinc/15/06/34/487150634.db2.gz GDJDELNZJGSQRM-UHFFFAOYSA-N 1 1 193.294 2.093 10 0 AEAEMO Cc1cccc(N2CCC3(CC3)C2)[nH+]1 685918668 487151280 /nfs/dbraw/zinc/15/12/80/487151280.db2.gz MCIRZYOWSJVQEE-UHFFFAOYSA-N 1 1 188.274 2.380 10 0 AEAEMO Cc1cc[nH+]c(N2CCC3(CC3)C2)c1 685918398 487151607 /nfs/dbraw/zinc/15/16/07/487151607.db2.gz KJWWLSBRLVNIRF-UHFFFAOYSA-N 1 1 188.274 2.380 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 306212378 487151765 /nfs/dbraw/zinc/15/17/65/487151765.db2.gz VNNIVMRTIZQKRI-GARJFASQSA-N 1 1 198.354 2.281 10 0 AEAEMO C[C@H](N)[C@@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 306212379 487151897 /nfs/dbraw/zinc/15/18/97/487151897.db2.gz VNNIVMRTIZQKRI-HBNTYKKESA-N 1 1 198.354 2.281 10 0 AEAEMO C[C@H](N)[C@@H](C)[NH2+][C@H]1CCCC(C)(C)C1 306212376 487151996 /nfs/dbraw/zinc/15/19/96/487151996.db2.gz VNNIVMRTIZQKRI-AXFHLTTASA-N 1 1 198.354 2.281 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+][C@H]1CCCC(C)(C)C1 306212377 487152009 /nfs/dbraw/zinc/15/20/09/487152009.db2.gz VNNIVMRTIZQKRI-DCAQKATOSA-N 1 1 198.354 2.281 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C 306338326 487153690 /nfs/dbraw/zinc/15/36/90/487153690.db2.gz UTLNNLUTSRPCJM-LDMBFOFVSA-N 1 1 198.354 2.136 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C 306338327 487153696 /nfs/dbraw/zinc/15/36/96/487153696.db2.gz UTLNNLUTSRPCJM-UHFZAUJKSA-N 1 1 198.354 2.136 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C 306338328 487153759 /nfs/dbraw/zinc/15/37/59/487153759.db2.gz UTLNNLUTSRPCJM-WTPMCQDGSA-N 1 1 198.354 2.136 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C 306338325 487153771 /nfs/dbraw/zinc/15/37/71/487153771.db2.gz UTLNNLUTSRPCJM-KZZRWZIVSA-N 1 1 198.354 2.136 10 0 AEAEMO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1CC1(C)C 306424675 487155558 /nfs/dbraw/zinc/15/55/58/487155558.db2.gz BWKLONSBDKNYRO-XVKPBYJWSA-N 1 1 193.294 2.167 10 0 AEAEMO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H]1CC1(C)C 306424673 487155818 /nfs/dbraw/zinc/15/58/18/487155818.db2.gz BWKLONSBDKNYRO-XCBNKYQSSA-N 1 1 193.294 2.167 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@@H](C(F)F)C1 306767249 487165932 /nfs/dbraw/zinc/16/59/32/487165932.db2.gz XTHQGGOSXOVOBV-JGVFFNPUSA-N 1 1 177.238 2.372 10 0 AEAEMO CC[C@@H](C)[N@H+]1CC[C@@H](C(F)F)C1 306767240 487166041 /nfs/dbraw/zinc/16/60/41/487166041.db2.gz XTHQGGOSXOVOBV-HTQZYQBOSA-N 1 1 177.238 2.372 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@H](C(F)F)C1 306767258 487166659 /nfs/dbraw/zinc/16/66/59/487166659.db2.gz XTHQGGOSXOVOBV-YUMQZZPRSA-N 1 1 177.238 2.372 10 0 AEAEMO CC[C@@H](C)[N@H+]1CC[C@H](C(F)F)C1 306767257 487166813 /nfs/dbraw/zinc/16/68/13/487166813.db2.gz XTHQGGOSXOVOBV-SFYZADRCSA-N 1 1 177.238 2.372 10 0 AEAEMO CC(C)=CCC[N@H+]1CCC(=O)[C@@H](C)C1 306863943 487167737 /nfs/dbraw/zinc/16/77/37/487167737.db2.gz JLPJUTLNPDOHSJ-NSHDSACASA-N 1 1 195.306 2.254 10 0 AEAEMO CC(C)=CCC[N@H+]1CCC(=O)[C@H](C)C1 306863941 487168111 /nfs/dbraw/zinc/16/81/11/487168111.db2.gz JLPJUTLNPDOHSJ-LLVKDONJSA-N 1 1 195.306 2.254 10 0 AEAEMO C[C@@H]1[C@@H](O)CCC[N@H+]1CCC1CCC1 306874137 487168388 /nfs/dbraw/zinc/16/83/88/487168388.db2.gz ZEYBJUCKEGKXNG-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1[C@H](O)CCC[N@H+]1CCC1CCC1 306874138 487168453 /nfs/dbraw/zinc/16/84/53/487168453.db2.gz ZEYBJUCKEGKXNG-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1[C@H](O)CCC[N@H+]1CCC1CCC1 306874135 487168627 /nfs/dbraw/zinc/16/86/27/487168627.db2.gz ZEYBJUCKEGKXNG-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1[C@@H](O)CCC[N@H+]1CCC1CCC1 306874136 487168711 /nfs/dbraw/zinc/16/87/11/487168711.db2.gz ZEYBJUCKEGKXNG-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1CC[C@@H](O)C[N@H+]1CCC1CCC1 306896062 487169162 /nfs/dbraw/zinc/16/91/62/487169162.db2.gz OODNUVNZAJNCOF-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1CC[C@H](O)C[N@H+]1CCC1CCC1 306896060 487169188 /nfs/dbraw/zinc/16/91/88/487169188.db2.gz OODNUVNZAJNCOF-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1CC[C@@H](O)C[N@H+]1CCC1CCC1 306896059 487169216 /nfs/dbraw/zinc/16/92/16/487169216.db2.gz OODNUVNZAJNCOF-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1CC[C@H](O)C[N@H+]1CCC1CCC1 306896061 487169223 /nfs/dbraw/zinc/16/92/23/487169223.db2.gz OODNUVNZAJNCOF-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@]1(C)CC[N@H+]([C@@H]2CCC[C@H]2O)C1 306957305 487170206 /nfs/dbraw/zinc/17/02/06/487170206.db2.gz SWFMURJPTHHFLY-UTUOFQBUSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@]1(C)CC[N@H+]([C@@H]2CCC[C@H]2O)C1 306957304 487170210 /nfs/dbraw/zinc/17/02/10/487170210.db2.gz SWFMURJPTHHFLY-IJLUTSLNSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1[C@H](N)CC[N@@H+]1C[C@H](C)C(C)(C)C 307265517 487177523 /nfs/dbraw/zinc/17/75/23/487177523.db2.gz FCBNIONSVVSFQZ-HBNTYKKESA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H](C[N@H+]1CC[C@H](N)[C@H]1C)C(C)(C)C 307265518 487177570 /nfs/dbraw/zinc/17/75/70/487177570.db2.gz FCBNIONSVVSFQZ-MXWKQRLJSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@@H]1[C@@H](N)CC[N@@H+]1C[C@H](C)C(C)(C)C 307265515 487177846 /nfs/dbraw/zinc/17/78/46/487177846.db2.gz FCBNIONSVVSFQZ-AXFHLTTASA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H](C[N@H+]1CC[C@@H](N)[C@H]1C)C(C)(C)C 307265516 487177921 /nfs/dbraw/zinc/17/79/21/487177921.db2.gz FCBNIONSVVSFQZ-GMTAPVOTSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@@H](C[NH+]1CC(F)C1)C(C)(C)C 307284035 487178388 /nfs/dbraw/zinc/17/83/88/487178388.db2.gz IVFMFTMEJDMTFQ-QMMMGPOBSA-N 1 1 173.275 2.322 10 0 AEAEMO C[C@H](C[NH+]1CC(F)C1)C(C)(C)C 307284033 487178421 /nfs/dbraw/zinc/17/84/21/487178421.db2.gz IVFMFTMEJDMTFQ-MRVPVSSYSA-N 1 1 173.275 2.322 10 0 AEAEMO FC1(C[N@H+]2C[C@@H]3CCCC[C@@H]32)CC1 307409122 487180846 /nfs/dbraw/zinc/18/08/46/487180846.db2.gz MTUKGRTUJLMPGQ-UWVGGRQHSA-N 1 1 183.270 2.363 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CC[C@@H](O)C(C)(C)C1 307445260 487180906 /nfs/dbraw/zinc/18/09/06/487180906.db2.gz VIHLBPNQEZPLAX-WDEREUQCSA-N 1 1 199.338 2.124 10 0 AEAEMO CC(C)[C@@H](C)[N@H+]1CC[C@H](O)C(C)(C)C1 307445252 487181232 /nfs/dbraw/zinc/18/12/32/487181232.db2.gz VIHLBPNQEZPLAX-MNOVXSKESA-N 1 1 199.338 2.124 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CC[C@H](O)C(C)(C)C1 307445256 487181255 /nfs/dbraw/zinc/18/12/55/487181255.db2.gz VIHLBPNQEZPLAX-QWRGUYRKSA-N 1 1 199.338 2.124 10 0 AEAEMO CC(C)[C@@H](C)[N@H+]1CC[C@@H](O)C(C)(C)C1 307445248 487181277 /nfs/dbraw/zinc/18/12/77/487181277.db2.gz VIHLBPNQEZPLAX-GHMZBOCLSA-N 1 1 199.338 2.124 10 0 AEAEMO Cc1cc(NCC[C@@H](C)F)nc(C)[nH+]1 307555753 487183952 /nfs/dbraw/zinc/18/39/52/487183952.db2.gz NRBIGQCPRODQLM-SSDOTTSWSA-N 1 1 197.257 2.253 10 0 AEAEMO Cc1cc(NCC[C@H](C)F)nc(C)[nH+]1 307555756 487183961 /nfs/dbraw/zinc/18/39/61/487183961.db2.gz NRBIGQCPRODQLM-ZETCQYMHSA-N 1 1 197.257 2.253 10 0 AEAEMO C[C@H]1C[C@@H](C)C[C@H]([NH2+][C@H](C)[C@@H](C)N)C1 307577433 487184637 /nfs/dbraw/zinc/18/46/37/487184637.db2.gz MAENSJQVQZJVER-ROHXPCBUSA-N 1 1 198.354 2.136 10 0 AEAEMO C[C@H]1C[C@@H](C)C[C@H]([NH2+][C@@H](C)[C@H](C)N)C1 307577415 487184656 /nfs/dbraw/zinc/18/46/56/487184656.db2.gz MAENSJQVQZJVER-KZZRWZIVSA-N 1 1 198.354 2.136 10 0 AEAEMO C[C@H]1C[C@@H](C)C[C@H]([NH2+][C@H](C)[C@H](C)N)C1 307577427 487184687 /nfs/dbraw/zinc/18/46/87/487184687.db2.gz MAENSJQVQZJVER-RNWYCLNJSA-N 1 1 198.354 2.136 10 0 AEAEMO C[C@H]1C[C@@H](C)C[C@H]([NH2+][C@@H](C)[C@@H](C)N)C1 307577421 487184706 /nfs/dbraw/zinc/18/47/06/487184706.db2.gz MAENSJQVQZJVER-LVEVGFFFSA-N 1 1 198.354 2.136 10 0 AEAEMO CC[C@H](C)[NH2+]C1(C(F)F)CC1 307641781 487186904 /nfs/dbraw/zinc/18/69/04/487186904.db2.gz JZFJANJDTQCFIH-LURJTMIESA-N 1 1 163.211 2.172 10 0 AEAEMO CC(C)C[NH2+]C1(C(F)F)CC1 307632037 487187049 /nfs/dbraw/zinc/18/70/49/487187049.db2.gz MDEMSNSMPHYSTQ-UHFFFAOYSA-N 1 1 163.211 2.030 10 0 AEAEMO CC[C@@H](C)[NH2+]C1(C(F)F)CC1 307641782 487187179 /nfs/dbraw/zinc/18/71/79/487187179.db2.gz JZFJANJDTQCFIH-ZCFIWIBFSA-N 1 1 163.211 2.172 10 0 AEAEMO C[C@H]1C[C@H]1C[NH2+]C1(C(F)F)CC1 307950704 487191609 /nfs/dbraw/zinc/19/16/09/487191609.db2.gz NYCREZUUVACWOI-BQBZGAKWSA-N 1 1 175.222 2.030 10 0 AEAEMO C[C@H]1C[C@@H]1C[NH2+]C1(C(F)F)CC1 307950705 487191625 /nfs/dbraw/zinc/19/16/25/487191625.db2.gz NYCREZUUVACWOI-NKWVEPMBSA-N 1 1 175.222 2.030 10 0 AEAEMO C[C@@H]1C[C@H]1C[NH2+]C1(C(F)F)CC1 307950707 487191656 /nfs/dbraw/zinc/19/16/56/487191656.db2.gz NYCREZUUVACWOI-RQJHMYQMSA-N 1 1 175.222 2.030 10 0 AEAEMO C[C@@H]1C[C@@H]1C[NH2+]C1(C(F)F)CC1 307950706 487191874 /nfs/dbraw/zinc/19/18/74/487191874.db2.gz NYCREZUUVACWOI-RNFRBKRXSA-N 1 1 175.222 2.030 10 0 AEAEMO CC(C)CC[C@H](C)[NH2+][C@@H](C)[C@@H](C)N 308144757 487194841 /nfs/dbraw/zinc/19/48/41/487194841.db2.gz XFXURMRXOHFBSY-AXFHLTTASA-N 1 1 186.343 2.136 10 0 AEAEMO CC(C)CC[C@H](C)[NH2+][C@@H](C)[C@H](C)N 308144759 487195071 /nfs/dbraw/zinc/19/50/71/487195071.db2.gz XFXURMRXOHFBSY-DCAQKATOSA-N 1 1 186.343 2.136 10 0 AEAEMO CC(C)CC[C@H](C)[NH2+][C@H](C)[C@@H](C)N 308144765 487195076 /nfs/dbraw/zinc/19/50/76/487195076.db2.gz XFXURMRXOHFBSY-HBNTYKKESA-N 1 1 186.343 2.136 10 0 AEAEMO CC(C)CC[C@H](C)[NH2+][C@H](C)[C@H](C)N 308144761 487195159 /nfs/dbraw/zinc/19/51/59/487195159.db2.gz XFXURMRXOHFBSY-GARJFASQSA-N 1 1 186.343 2.136 10 0 AEAEMO CC(C)COCC[N@H+]1[C@@H](C)C[C@H]1C 308161940 487195527 /nfs/dbraw/zinc/19/55/27/487195527.db2.gz VLMZZKIBKGVJEV-PHIMTYICSA-N 1 1 185.311 2.142 10 0 AEAEMO CCCNCC[NH2+][C@@H](C)CC(C)C 308181910 487195951 /nfs/dbraw/zinc/19/59/51/487195951.db2.gz HORYBFZFQUSDJS-NSHDSACASA-N 1 1 186.343 2.010 10 0 AEAEMO CCC[NH2+]CCN[C@@H](C)CC(C)C 308181910 487195953 /nfs/dbraw/zinc/19/59/53/487195953.db2.gz HORYBFZFQUSDJS-NSHDSACASA-N 1 1 186.343 2.010 10 0 AEAEMO CCCNCC[NH2+][C@H](C)CC(C)C 308181909 487196284 /nfs/dbraw/zinc/19/62/84/487196284.db2.gz HORYBFZFQUSDJS-LLVKDONJSA-N 1 1 186.343 2.010 10 0 AEAEMO CCC[NH2+]CCN[C@H](C)CC(C)C 308181909 487196287 /nfs/dbraw/zinc/19/62/87/487196287.db2.gz HORYBFZFQUSDJS-LLVKDONJSA-N 1 1 186.343 2.010 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1C 308655467 487206800 /nfs/dbraw/zinc/20/68/00/487206800.db2.gz NIODQAARUVLRMX-FIQHERPVSA-N 1 1 198.354 2.138 10 0 AEAEMO C/C=C\C[NH2+][C@H](C)c1cc(C)on1 308253281 487198598 /nfs/dbraw/zinc/19/85/98/487198598.db2.gz CKYKOELGDSVAMX-XRVBUDJMSA-N 1 1 180.251 2.210 10 0 AEAEMO C/C=C/C[NH2+][C@H](C)c1cc(C)on1 308253279 487198603 /nfs/dbraw/zinc/19/86/03/487198603.db2.gz CKYKOELGDSVAMX-XNPJLODASA-N 1 1 180.251 2.210 10 0 AEAEMO CCC(C)(C)CC[N@@H+](C)[C@@H](C)CO 308313880 487199275 /nfs/dbraw/zinc/19/92/75/487199275.db2.gz TZCBTMVOVBQXAU-JTQLQIEISA-N 1 1 187.327 2.125 10 0 AEAEMO CCCC[N@H+]1CC[C@H](OC(F)F)C1 308386882 487199933 /nfs/dbraw/zinc/19/99/33/487199933.db2.gz XKPOZPORGJXXRS-QMMMGPOBSA-N 1 1 193.237 2.100 10 0 AEAEMO CC1CCC(C[N@H+](C)[C@@H](C)CO)CC1 308458145 487201382 /nfs/dbraw/zinc/20/13/82/487201382.db2.gz CIKBBZJYSQSLGD-CXQJBGSLSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 308520731 487202774 /nfs/dbraw/zinc/20/27/74/487202774.db2.gz XRTRNEJRKMILTO-GRYCIOLGSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 308520731 487202778 /nfs/dbraw/zinc/20/27/78/487202778.db2.gz XRTRNEJRKMILTO-GRYCIOLGSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[N@@H+](CC(C)C)[C@@H]1CCC[C@H]1O 308524421 487202870 /nfs/dbraw/zinc/20/28/70/487202870.db2.gz ZWUNVYBHZXHBRX-VXGBXAGGSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](N)[C@H]1C 308564146 487203117 /nfs/dbraw/zinc/20/31/17/487203117.db2.gz ZDNNJWKVCYVEIJ-QJPTWQEYSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@H](C)C[N@H+]1CC[C@@H](N)[C@H]1C 308564146 487203120 /nfs/dbraw/zinc/20/31/20/487203120.db2.gz ZDNNJWKVCYVEIJ-QJPTWQEYSA-N 1 1 198.354 2.090 10 0 AEAEMO CC1CCC(C[NH2+][C@H](C)[C@@H](C)N)CC1 308549303 487203155 /nfs/dbraw/zinc/20/31/55/487203155.db2.gz QYPMHKNCGVARJM-BFUDSRACSA-N 1 1 198.354 2.138 10 0 AEAEMO CC1CCC(C[NH2+][C@@H](C)[C@H](C)N)CC1 308549312 487203220 /nfs/dbraw/zinc/20/32/20/487203220.db2.gz QYPMHKNCGVARJM-YECOWLKZSA-N 1 1 198.354 2.138 10 0 AEAEMO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](N)[C@@H]1C 308564148 487203362 /nfs/dbraw/zinc/20/33/62/487203362.db2.gz ZDNNJWKVCYVEIJ-SDDRHHMPSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@H](C)C[N@H+]1CC[C@@H](N)[C@@H]1C 308564148 487203366 /nfs/dbraw/zinc/20/33/66/487203366.db2.gz ZDNNJWKVCYVEIJ-SDDRHHMPSA-N 1 1 198.354 2.090 10 0 AEAEMO CC1CCC(C[NH2+][C@@H](C)[C@@H](C)N)CC1 308549309 487203399 /nfs/dbraw/zinc/20/33/99/487203399.db2.gz QYPMHKNCGVARJM-UPOSSJBDSA-N 1 1 198.354 2.138 10 0 AEAEMO CC1CCC(C[NH2+][C@H](C)[C@H](C)N)CC1 308549306 487203464 /nfs/dbraw/zinc/20/34/64/487203464.db2.gz QYPMHKNCGVARJM-LVFLEHKBSA-N 1 1 198.354 2.138 10 0 AEAEMO CC(C)C[C@@H]([NH3+])CN(C)CCC1CC1 308531527 487203486 /nfs/dbraw/zinc/20/34/86/487203486.db2.gz RTPFQRHDXKWPKA-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@@H](N)C[N@H+](C)CCC1CC1 308531527 487203490 /nfs/dbraw/zinc/20/34/90/487203490.db2.gz RTPFQRHDXKWPKA-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@@H](N)C[N@@H+](C)CCC1CC1 308531527 487203493 /nfs/dbraw/zinc/20/34/93/487203493.db2.gz RTPFQRHDXKWPKA-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@H](C)C[N@@H+]1CC[C@H](N)[C@@H]1C 308564150 487203920 /nfs/dbraw/zinc/20/39/20/487203920.db2.gz ZDNNJWKVCYVEIJ-SRVKXCTJSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@H](C)C[N@H+]1CC[C@H](N)[C@@H]1C 308564150 487203923 /nfs/dbraw/zinc/20/39/23/487203923.db2.gz ZDNNJWKVCYVEIJ-SRVKXCTJSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@H](C)C[N@@H+]1CC[C@H](N)[C@H]1C 308564152 487204112 /nfs/dbraw/zinc/20/41/12/487204112.db2.gz ZDNNJWKVCYVEIJ-TUAOUCFPSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@H](C)C[N@H+]1CC[C@H](N)[C@H]1C 308564152 487204114 /nfs/dbraw/zinc/20/41/14/487204114.db2.gz ZDNNJWKVCYVEIJ-TUAOUCFPSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1C 308655468 487206699 /nfs/dbraw/zinc/20/66/99/487206699.db2.gz NIODQAARUVLRMX-NOOOWODRSA-N 1 1 198.354 2.138 10 0 AEAEMO CCC1CCC([NH2+][C@H](C)[C@H](C)N)CC1 308692603 487206572 /nfs/dbraw/zinc/20/65/72/487206572.db2.gz RXYYDVOJICWPLB-DMOGRIERSA-N 1 1 198.354 2.281 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1C 308655465 487207213 /nfs/dbraw/zinc/20/72/13/487207213.db2.gz NIODQAARUVLRMX-BJDJZHNGSA-N 1 1 198.354 2.138 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+]C[C@@H]1CCCC[C@H]1C 308655470 487207230 /nfs/dbraw/zinc/20/72/30/487207230.db2.gz NIODQAARUVLRMX-RHYQMDGZSA-N 1 1 198.354 2.138 10 0 AEAEMO CCC1CCC([NH2+][C@@H](C)[C@H](C)N)CC1 308692604 487207350 /nfs/dbraw/zinc/20/73/50/487207350.db2.gz RXYYDVOJICWPLB-JYBOHDQNSA-N 1 1 198.354 2.281 10 0 AEAEMO CCC1CCC([NH2+][C@@H](C)[C@@H](C)N)CC1 308692605 487207459 /nfs/dbraw/zinc/20/74/59/487207459.db2.gz RXYYDVOJICWPLB-QKEWWQLBSA-N 1 1 198.354 2.281 10 0 AEAEMO CCC1CCC([NH2+][C@H](C)[C@@H](C)N)CC1 308692606 487207753 /nfs/dbraw/zinc/20/77/53/487207753.db2.gz RXYYDVOJICWPLB-QYNFOATHSA-N 1 1 198.354 2.281 10 0 AEAEMO CC1CCC(C[N@H+](C)[C@H](C)CN)CC1 322771003 487223193 /nfs/dbraw/zinc/22/31/93/487223193.db2.gz IZAFFOWWVNMFEX-MOENNCHZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC1CCC(CN(C)[C@H](C)C[NH3+])CC1 322771003 487223196 /nfs/dbraw/zinc/22/31/96/487223196.db2.gz IZAFFOWWVNMFEX-MOENNCHZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC1CCC(C[N@H+](C)[C@@H](C)CN)CC1 324406787 487225421 /nfs/dbraw/zinc/22/54/21/487225421.db2.gz IZAFFOWWVNMFEX-CXQJBGSLSA-N 1 1 198.354 2.092 10 0 AEAEMO CC1CCC(CN(C)[C@@H](C)C[NH3+])CC1 324406787 487225423 /nfs/dbraw/zinc/22/54/23/487225423.db2.gz IZAFFOWWVNMFEX-CXQJBGSLSA-N 1 1 198.354 2.092 10 0 AEAEMO CC1=CCC[N@H+]([C@@H]2CCO[C@H](C)C2)C1 335503454 487230943 /nfs/dbraw/zinc/23/09/43/487230943.db2.gz MRKZOLWGGUWHCO-VXGBXAGGSA-N 1 1 195.306 2.206 10 0 AEAEMO C[C@@H]1C[C@H]([N@H+]2CCC(C)(C)C2)CCO1 335550539 487231063 /nfs/dbraw/zinc/23/10/63/487231063.db2.gz MAMIAGBCPXVPIJ-GHMZBOCLSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@H](C)C[NH2+]C1(C(F)F)CC1 379313026 487237665 /nfs/dbraw/zinc/23/76/65/487237665.db2.gz DKBSMHHTEYOXKR-ZETCQYMHSA-N 1 1 177.238 2.420 10 0 AEAEMO CC[C@@H](C)C[NH2+]C1(C(F)F)CC1 379313025 487237864 /nfs/dbraw/zinc/23/78/64/487237864.db2.gz DKBSMHHTEYOXKR-SSDOTTSWSA-N 1 1 177.238 2.420 10 0 AEAEMO CC[C@@H](C)[N@H+]1CC[C@H](OC(F)F)C1 379357812 487239110 /nfs/dbraw/zinc/23/91/10/487239110.db2.gz SSNWZKKZKGVFMZ-SFYZADRCSA-N 1 1 193.237 2.098 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@H](OC(F)F)C1 379357813 487239144 /nfs/dbraw/zinc/23/91/44/487239144.db2.gz SSNWZKKZKGVFMZ-YUMQZZPRSA-N 1 1 193.237 2.098 10 0 AEAEMO C/C=C/C[NH2+][C@@H](C)c1cc(C)on1 379380872 487241159 /nfs/dbraw/zinc/24/11/59/487241159.db2.gz CKYKOELGDSVAMX-MOVJSRMASA-N 1 1 180.251 2.210 10 0 AEAEMO C/C=C\C[NH2+][C@@H](C)c1cc(C)on1 379380873 487241356 /nfs/dbraw/zinc/24/13/56/487241356.db2.gz CKYKOELGDSVAMX-WBSSQXGSSA-N 1 1 180.251 2.210 10 0 AEAEMO C[C@@H](CO)[N@@H+](C)C[C@@H]1CCC[C@@H](C)C1 379544091 487245166 /nfs/dbraw/zinc/24/51/66/487245166.db2.gz UCSMFUHENYZXPD-GRYCIOLGSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@@H](CO)[N@@H+](C)C[C@H]1CCC[C@@H](C)C1 379544094 487245172 /nfs/dbraw/zinc/24/51/72/487245172.db2.gz UCSMFUHENYZXPD-WOPDTQHZSA-N 1 1 199.338 2.125 10 0 AEAEMO CC1CCC(C[NH2+]CC(C)(C)N)CC1 379595884 487246468 /nfs/dbraw/zinc/24/64/68/487246468.db2.gz FABZUSMIWKARPZ-UHFFFAOYSA-N 1 1 198.354 2.140 10 0 AEAEMO Cc1c[nH]nc1C[NH2+][C@H](C)C(C)(C)C 379590863 487246498 /nfs/dbraw/zinc/24/64/98/487246498.db2.gz WTTLWUGHGGXSQD-SECBINFHSA-N 1 1 195.310 2.242 10 0 AEAEMO CC(C)C[C@H]([NH3+])CN(C)CCC1CC1 379662644 487247370 /nfs/dbraw/zinc/24/73/70/487247370.db2.gz RTPFQRHDXKWPKA-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@H](N)C[N@H+](C)CCC1CC1 379662644 487247373 /nfs/dbraw/zinc/24/73/73/487247373.db2.gz RTPFQRHDXKWPKA-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@H](N)C[N@@H+](C)CCC1CC1 379662644 487247375 /nfs/dbraw/zinc/24/73/75/487247375.db2.gz RTPFQRHDXKWPKA-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@H](N)C[N@@H+]1CC[C@@H](C)[C@@H]1C 380654364 487248066 /nfs/dbraw/zinc/24/80/66/487248066.db2.gz FBUXRPQPCWPQEF-WOPDTQHZSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@H](N)C[N@H+]1CC[C@@H](C)[C@@H]1C 380654364 487248070 /nfs/dbraw/zinc/24/80/70/487248070.db2.gz FBUXRPQPCWPQEF-WOPDTQHZSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@H](N)C[N@@H+]1CC[C@H](C)[C@H]1C 380654362 487248265 /nfs/dbraw/zinc/24/82/65/487248265.db2.gz FBUXRPQPCWPQEF-TUAOUCFPSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@H](N)C[N@H+]1CC[C@H](C)[C@H]1C 380654362 487248268 /nfs/dbraw/zinc/24/82/68/487248268.db2.gz FBUXRPQPCWPQEF-TUAOUCFPSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@H](N)C[N@@H+]1CC[C@H](C)[C@@H]1C 380654311 487248491 /nfs/dbraw/zinc/24/84/91/487248491.db2.gz FBUXRPQPCWPQEF-SRVKXCTJSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@H](N)C[N@H+]1CC[C@H](C)[C@@H]1C 380654311 487248494 /nfs/dbraw/zinc/24/84/94/487248494.db2.gz FBUXRPQPCWPQEF-SRVKXCTJSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@H](N)C[N@@H+]1CC[C@@H](C)[C@H]1C 380654363 487248593 /nfs/dbraw/zinc/24/85/93/487248593.db2.gz FBUXRPQPCWPQEF-UTUOFQBUSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@H](N)C[N@H+]1CC[C@@H](C)[C@H]1C 380654363 487248596 /nfs/dbraw/zinc/24/85/96/487248596.db2.gz FBUXRPQPCWPQEF-UTUOFQBUSA-N 1 1 198.354 2.090 10 0 AEAEMO C/C=C/C[NH2+][C@@H](C)c1cscn1 384856993 487253262 /nfs/dbraw/zinc/25/32/62/487253262.db2.gz MCEPYTJKZUBWSO-RTMURIBGSA-N 1 1 182.292 2.370 10 0 AEAEMO C/C=C\C[NH2+][C@H](C)c1cscn1 384856994 487253297 /nfs/dbraw/zinc/25/32/97/487253297.db2.gz MCEPYTJKZUBWSO-TUUFMJSCSA-N 1 1 182.292 2.370 10 0 AEAEMO C/C=C/C[NH2+][C@H](C)c1cscn1 384856992 487253380 /nfs/dbraw/zinc/25/33/80/487253380.db2.gz MCEPYTJKZUBWSO-MPJRPATESA-N 1 1 182.292 2.370 10 0 AEAEMO C/C=C\C[NH2+][C@@H](C)c1cscn1 384856995 487254209 /nfs/dbraw/zinc/25/42/09/487254209.db2.gz MCEPYTJKZUBWSO-VEMNSZJBSA-N 1 1 182.292 2.370 10 0 AEAEMO CC[N@@H+](CCC1CC1)[C@@H]1CCC[C@H]1O 385323352 487255441 /nfs/dbraw/zinc/25/54/41/487255441.db2.gz AIPKLCNTARPWDO-VXGBXAGGSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCC[N@@H+](C)[C@@H]1CCO[C@H](C)C1 388319836 487259403 /nfs/dbraw/zinc/25/94/03/487259403.db2.gz WPICNDOSRDDTMX-GHMZBOCLSA-N 1 1 185.311 2.286 10 0 AEAEMO C[C@@H]([NH2+]C1(C(F)F)CC1)C1CC1 388502389 487259672 /nfs/dbraw/zinc/25/96/72/487259672.db2.gz MSZKIFPNHULBOM-ZCFIWIBFSA-N 1 1 175.222 2.172 10 0 AEAEMO C[C@H]([NH2+]C1(C(F)F)CC1)C1CC1 388502386 487259970 /nfs/dbraw/zinc/25/99/70/487259970.db2.gz MSZKIFPNHULBOM-LURJTMIESA-N 1 1 175.222 2.172 10 0 AEAEMO CCC[N@H+](C)[C@H](C)c1nnc(C)s1 388578906 487260438 /nfs/dbraw/zinc/26/04/38/487260438.db2.gz AQHMUUFWBXKDLQ-SSDOTTSWSA-N 1 1 199.323 2.249 10 0 AEAEMO CCC[N@@H+](C)[C@H](C)c1nnc(C)s1 388578906 487260442 /nfs/dbraw/zinc/26/04/42/487260442.db2.gz AQHMUUFWBXKDLQ-SSDOTTSWSA-N 1 1 199.323 2.249 10 0 AEAEMO CCC[N@H+](C)[C@@H](C)c1nnc(C)s1 388578928 487260792 /nfs/dbraw/zinc/26/07/92/487260792.db2.gz AQHMUUFWBXKDLQ-ZETCQYMHSA-N 1 1 199.323 2.249 10 0 AEAEMO CCC[N@@H+](C)[C@@H](C)c1nnc(C)s1 388578928 487260796 /nfs/dbraw/zinc/26/07/96/487260796.db2.gz AQHMUUFWBXKDLQ-ZETCQYMHSA-N 1 1 199.323 2.249 10 0 AEAEMO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H](C)N)C1 389201743 487262109 /nfs/dbraw/zinc/26/21/09/487262109.db2.gz APUMQMWTZWCMOG-YFKTTZPYSA-N 1 1 198.354 2.281 10 0 AEAEMO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H](C)N)C1 389201737 487262194 /nfs/dbraw/zinc/26/21/94/487262194.db2.gz APUMQMWTZWCMOG-KXNHARMFSA-N 1 1 198.354 2.281 10 0 AEAEMO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H](C)N)C1 389201739 487262255 /nfs/dbraw/zinc/26/22/55/487262255.db2.gz APUMQMWTZWCMOG-QCNOEVLYSA-N 1 1 198.354 2.281 10 0 AEAEMO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H](C)N)C1 389201733 487262466 /nfs/dbraw/zinc/26/24/66/487262466.db2.gz APUMQMWTZWCMOG-KKOKHZNYSA-N 1 1 198.354 2.281 10 0 AEAEMO C[C@H](N)[C@@H](C)[NH2+]CCC1CCCCC1 389293791 487263515 /nfs/dbraw/zinc/26/35/15/487263515.db2.gz JCKWUVFOEZSZPZ-WDEREUQCSA-N 1 1 198.354 2.282 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+]CCC1CCCCC1 389293790 487263603 /nfs/dbraw/zinc/26/36/03/487263603.db2.gz JCKWUVFOEZSZPZ-QWRGUYRKSA-N 1 1 198.354 2.282 10 0 AEAEMO C[C@H]([NH2+]CCC1CCCCC1)[C@@H](C)N 389293786 487263657 /nfs/dbraw/zinc/26/36/57/487263657.db2.gz JCKWUVFOEZSZPZ-MNOVXSKESA-N 1 1 198.354 2.282 10 0 AEAEMO C[C@@H](N)[C@@H](C)[NH2+]CCC1CCCCC1 389293783 487263709 /nfs/dbraw/zinc/26/37/09/487263709.db2.gz JCKWUVFOEZSZPZ-GHMZBOCLSA-N 1 1 198.354 2.282 10 0 AEAEMO C[C@H](N)[C@@H](C)[NH2+]C[C@H]1CCC[C@@H](C)C1 389318437 487264211 /nfs/dbraw/zinc/26/42/11/487264211.db2.gz QXOVOJMQLKCEPB-KXNHARMFSA-N 1 1 198.354 2.138 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+]CC1CCCCCC1 389451650 487264223 /nfs/dbraw/zinc/26/42/23/487264223.db2.gz HKKNAKXDADYLFW-QWRGUYRKSA-N 1 1 198.354 2.282 10 0 AEAEMO C[C@@H](N)[C@@H](C)[NH2+]CC1CCCCCC1 389451648 487264245 /nfs/dbraw/zinc/26/42/45/487264245.db2.gz HKKNAKXDADYLFW-GHMZBOCLSA-N 1 1 198.354 2.282 10 0 AEAEMO C[C@@H]1CCC[C@H](C[NH2+][C@H](C)[C@@H](C)N)C1 389318428 487264418 /nfs/dbraw/zinc/26/44/18/487264418.db2.gz QXOVOJMQLKCEPB-KKOKHZNYSA-N 1 1 198.354 2.138 10 0 AEAEMO C[C@H]([NH2+]CC1CCCCCC1)[C@@H](C)N 389451649 487264435 /nfs/dbraw/zinc/26/44/35/487264435.db2.gz HKKNAKXDADYLFW-MNOVXSKESA-N 1 1 198.354 2.282 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+]C[C@H]1CCC[C@@H](C)C1 389318450 487264529 /nfs/dbraw/zinc/26/45/29/487264529.db2.gz QXOVOJMQLKCEPB-RHYQMDGZSA-N 1 1 198.354 2.138 10 0 AEAEMO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)[C@@H](C)N 389318474 487264571 /nfs/dbraw/zinc/26/45/71/487264571.db2.gz QXOVOJMQLKCEPB-WYUUTHIRSA-N 1 1 198.354 2.138 10 0 AEAEMO C[C@H](N)[C@@H](C)[NH2+]CC1CCCCCC1 389451651 487264607 /nfs/dbraw/zinc/26/46/07/487264607.db2.gz HKKNAKXDADYLFW-WDEREUQCSA-N 1 1 198.354 2.282 10 0 AEAEMO CC(C)C[N@@H+](C)C[C@@H]1CCC[C@H](O)C1 393662487 487268363 /nfs/dbraw/zinc/26/83/63/487268363.db2.gz YLEXKDNVKPRGGP-NEPJUHHUSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)C[N@@H+](C)C[C@H]1CCC[C@H](O)C1 393662490 487268412 /nfs/dbraw/zinc/26/84/12/487268412.db2.gz YLEXKDNVKPRGGP-RYUDHWBXSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)C[N@@H+](C)C[C@H]1CCC[C@@H](O)C1 393662489 487268425 /nfs/dbraw/zinc/26/84/25/487268425.db2.gz YLEXKDNVKPRGGP-NWDGAFQWSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)C[N@@H+](C)C[C@@H]1CCC[C@@H](O)C1 393662491 487268471 /nfs/dbraw/zinc/26/84/71/487268471.db2.gz YLEXKDNVKPRGGP-VXGBXAGGSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1C[C@@H](C)C[C@@H](O)C1 401652341 487288382 /nfs/dbraw/zinc/28/83/82/487288382.db2.gz LJMFPTYVTMNTQN-GRYCIOLGSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H](CN)[N@@H+](C)CCC(C)(C)C1CC1 405992569 487292999 /nfs/dbraw/zinc/29/29/99/487292999.db2.gz MTLVDOVYOHUCJV-SNVBAGLBSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H](C[NH3+])N(C)CCC(C)(C)C1CC1 405992569 487293002 /nfs/dbraw/zinc/29/30/02/487293002.db2.gz MTLVDOVYOHUCJV-SNVBAGLBSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H](CN)[N@@H+](C)CCC(C)(C)C1CC1 405992568 487293059 /nfs/dbraw/zinc/29/30/59/487293059.db2.gz MTLVDOVYOHUCJV-JTQLQIEISA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H](C[NH3+])N(C)CCC(C)(C)C1CC1 405992568 487293062 /nfs/dbraw/zinc/29/30/62/487293062.db2.gz MTLVDOVYOHUCJV-JTQLQIEISA-N 1 1 198.354 2.092 10 0 AEAEMO Nc1ccc(C2CCSCC2)c[nH+]1 584628810 487295479 /nfs/dbraw/zinc/29/54/79/487295479.db2.gz WJBCCVAUOCYDOC-UHFFFAOYSA-N 1 1 194.303 2.274 10 0 AEAEMO CC(C)=CC[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 606269134 487304923 /nfs/dbraw/zinc/30/49/23/487304923.db2.gz OCRNQZPTQDPBKI-GHMZBOCLSA-N 1 1 195.306 2.110 10 0 AEAEMO Cc1[nH+]ccn1C[C@H]1CC(C)(C)CO1 606269211 487304964 /nfs/dbraw/zinc/30/49/64/487304964.db2.gz WKKQFLRJQLIBBJ-SNVBAGLBSA-N 1 1 194.278 2.007 10 0 AEAEMO Cc1[nH+]ccn1C[C@@H]1CC(C)(C)CO1 606269209 487305144 /nfs/dbraw/zinc/30/51/44/487305144.db2.gz WKKQFLRJQLIBBJ-JTQLQIEISA-N 1 1 194.278 2.007 10 0 AEAEMO CCSCC[N@@H+](C)CC1CC1 610212705 487306463 /nfs/dbraw/zinc/30/64/63/487306463.db2.gz XMOVZGMXZMCIBY-UHFFFAOYSA-N 1 1 173.325 2.081 10 0 AEAEMO C[C@H]1CC[C@H]([NH2+]CC(F)F)CS1 642830114 487309399 /nfs/dbraw/zinc/30/93/99/487309399.db2.gz NNTSKJBSROVBSP-BQBZGAKWSA-N 1 1 195.278 2.125 10 0 AEAEMO C[C@H]1CC[C@@H]([NH2+]CC(F)F)CS1 642830115 487309417 /nfs/dbraw/zinc/30/94/17/487309417.db2.gz NNTSKJBSROVBSP-NKWVEPMBSA-N 1 1 195.278 2.125 10 0 AEAEMO C[C@@H]1CC[C@@H]([NH2+]CC(F)F)CS1 642830116 487309607 /nfs/dbraw/zinc/30/96/07/487309607.db2.gz NNTSKJBSROVBSP-RNFRBKRXSA-N 1 1 195.278 2.125 10 0 AEAEMO C[C@@H]1CC[C@H]([NH2+]CC(F)F)CS1 642830117 487309957 /nfs/dbraw/zinc/30/99/57/487309957.db2.gz NNTSKJBSROVBSP-RQJHMYQMSA-N 1 1 195.278 2.125 10 0 AEAEMO CCC(CC)C[NH2+]C1CC(N(C)C)C1 655790820 487312361 /nfs/dbraw/zinc/31/23/61/487312361.db2.gz STLUQMVDFDVLET-UHFFFAOYSA-N 1 1 198.354 2.105 10 0 AEAEMO CN(C)C1CC([NH2+]C2CCCCC2)C1 655790011 487312431 /nfs/dbraw/zinc/31/24/31/487312431.db2.gz BGRXDAOTTILPAG-UHFFFAOYSA-N 1 1 196.338 2.001 10 0 AEAEMO CC(C)CCC[NH2+]C1CC(N(C)C)C1 655792377 487312479 /nfs/dbraw/zinc/31/24/79/487312479.db2.gz JBHIBMXXJAIERB-UHFFFAOYSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(C)(C)[NH2+]C[C@H](N)CC(C)C 666652267 487332308 /nfs/dbraw/zinc/33/23/08/487332308.db2.gz ZDDVNKCNVQFDNL-SNVBAGLBSA-N 1 1 186.343 2.138 10 0 AEAEMO C[C@@H]1C[C@H]1[C@@H](C)[NH2+]C1(C(F)F)CC1 666135564 487320406 /nfs/dbraw/zinc/32/04/06/487320406.db2.gz OIIDWMJEIUPTQB-BWZBUEFSSA-N 1 1 189.249 2.418 10 0 AEAEMO C[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C1(C(F)F)CC1 666135579 487320834 /nfs/dbraw/zinc/32/08/34/487320834.db2.gz OIIDWMJEIUPTQB-PRJMDXOYSA-N 1 1 189.249 2.418 10 0 AEAEMO C[C@H]([NH2+]C1(C(F)F)CC1)[C@@H]1C[C@H]1C 666135572 487320887 /nfs/dbraw/zinc/32/08/87/487320887.db2.gz OIIDWMJEIUPTQB-GJMOJQLCSA-N 1 1 189.249 2.418 10 0 AEAEMO C[C@H]([NH2+]C1(C(F)F)CC1)[C@H]1C[C@H]1C 666135569 487320908 /nfs/dbraw/zinc/32/09/08/487320908.db2.gz OIIDWMJEIUPTQB-CSMHCCOUSA-N 1 1 189.249 2.418 10 0 AEAEMO Cc1occc1C[N@@H+]1CC=CCC1 666353562 487327265 /nfs/dbraw/zinc/32/72/65/487327265.db2.gz IEHSVMVMYBBYKV-UHFFFAOYSA-N 1 1 177.247 2.350 10 0 AEAEMO COC[C@@H](C)C[N@H+]1CC(C)(C)C[C@H]1C 666455008 487329249 /nfs/dbraw/zinc/32/92/49/487329249.db2.gz KZQRJDSSMGBCJU-WDEREUQCSA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@H](C)C[N@H+]1CC(C)(C)C[C@@H]1C 666455006 487329320 /nfs/dbraw/zinc/32/93/20/487329320.db2.gz KZQRJDSSMGBCJU-MNOVXSKESA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@@H](C)C[N@H+]1CC(C)(C)C[C@@H]1C 666455007 487329423 /nfs/dbraw/zinc/32/94/23/487329423.db2.gz KZQRJDSSMGBCJU-QWRGUYRKSA-N 1 1 199.338 2.389 10 0 AEAEMO C[C@H]1CC(C)(C)C[N@H+]1Cc1cocn1 666454972 487329217 /nfs/dbraw/zinc/32/92/17/487329217.db2.gz AINGNIWVNVVWTB-VIFPVBQESA-N 1 1 194.278 2.295 10 0 AEAEMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1cocn1 666454963 487329488 /nfs/dbraw/zinc/32/94/88/487329488.db2.gz AINGNIWVNVVWTB-SECBINFHSA-N 1 1 194.278 2.295 10 0 AEAEMO COC[C@H](C)C[N@H+]1CC(C)(C)C[C@H]1C 666455005 487329685 /nfs/dbraw/zinc/32/96/85/487329685.db2.gz KZQRJDSSMGBCJU-GHMZBOCLSA-N 1 1 199.338 2.389 10 0 AEAEMO CC(C)C[C@H]([NH3+])CN(C(C)C)C1CC1 666623324 487330812 /nfs/dbraw/zinc/33/08/12/487330812.db2.gz CFLUXEOBKPQJMS-NSHDSACASA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[C@H](N)C[N@H+](C(C)C)C1CC1 666623324 487330815 /nfs/dbraw/zinc/33/08/15/487330815.db2.gz CFLUXEOBKPQJMS-NSHDSACASA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[C@H](N)C[N@@H+](C(C)C)C1CC1 666623324 487330817 /nfs/dbraw/zinc/33/08/17/487330817.db2.gz CFLUXEOBKPQJMS-NSHDSACASA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[C@@H]([NH3+])CN(C(C)C)C1CC1 666623319 487331376 /nfs/dbraw/zinc/33/13/76/487331376.db2.gz CFLUXEOBKPQJMS-LLVKDONJSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[C@@H](N)C[N@H+](C(C)C)C1CC1 666623319 487331379 /nfs/dbraw/zinc/33/13/79/487331379.db2.gz CFLUXEOBKPQJMS-LLVKDONJSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[C@@H](N)C[N@@H+](C(C)C)C1CC1 666623319 487331383 /nfs/dbraw/zinc/33/13/83/487331383.db2.gz CFLUXEOBKPQJMS-LLVKDONJSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[C@@H](N)C[N@@H+]1[C@@H](C)CC[C@H]1C 666650690 487331721 /nfs/dbraw/zinc/33/17/21/487331721.db2.gz DRYSIRMGBBLTEW-GRYCIOLGSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[C@@H](N)C[N@H+]1[C@@H](C)CC[C@H]1C 666650690 487331725 /nfs/dbraw/zinc/33/17/25/487331725.db2.gz DRYSIRMGBBLTEW-GRYCIOLGSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[C@H](N)C[NH+]1[C@@H](C)CC[C@@H]1C 666650691 487331836 /nfs/dbraw/zinc/33/18/36/487331836.db2.gz DRYSIRMGBBLTEW-SRVKXCTJSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[C@H](N)C[NH+]1[C@H](C)CC[C@H]1C 666650693 487332310 /nfs/dbraw/zinc/33/23/10/487332310.db2.gz DRYSIRMGBBLTEW-UTUOFQBUSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[N@@H+](C[C@H](N)CC(C)C)C1CCC1 666642783 487332348 /nfs/dbraw/zinc/33/23/48/487332348.db2.gz WECNESABJIQEPZ-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCN(C[C@H]([NH3+])CC(C)C)C1CCC1 666642783 487332350 /nfs/dbraw/zinc/33/23/50/487332350.db2.gz WECNESABJIQEPZ-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(C)(C)[NH2+]C[C@@H](N)CC(C)C 666652260 487332444 /nfs/dbraw/zinc/33/24/44/487332444.db2.gz ZDDVNKCNVQFDNL-JTQLQIEISA-N 1 1 186.343 2.138 10 0 AEAEMO CC[N@@H+](C[C@@H](N)CC(C)C)C1CCC1 666642784 487332449 /nfs/dbraw/zinc/33/24/49/487332449.db2.gz WECNESABJIQEPZ-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CCN(C[C@@H]([NH3+])CC(C)C)C1CCC1 666642784 487332452 /nfs/dbraw/zinc/33/24/52/487332452.db2.gz WECNESABJIQEPZ-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@H](N)C[N@@H+]1[C@@H](C)CC[C@H]1C 666650692 487332461 /nfs/dbraw/zinc/33/24/61/487332461.db2.gz DRYSIRMGBBLTEW-TUAOUCFPSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[C@H](N)C[N@H+]1[C@@H](C)CC[C@H]1C 666650692 487332463 /nfs/dbraw/zinc/33/24/63/487332463.db2.gz DRYSIRMGBBLTEW-TUAOUCFPSA-N 1 1 198.354 2.233 10 0 AEAEMO NC1(C[NH2+]CC2CC2)CCCCCC1 666808179 487339532 /nfs/dbraw/zinc/33/95/32/487339532.db2.gz UGKWCFOFCBOMII-UHFFFAOYSA-N 1 1 196.338 2.038 10 0 AEAEMO CC(C)C[NH2+]CC1(N)CCCCCC1 666808153 487339621 /nfs/dbraw/zinc/33/96/21/487339621.db2.gz BGZPQVVPDTXICC-UHFFFAOYSA-N 1 1 198.354 2.284 10 0 AEAEMO CCC[C@@H](C)C[NH2+]C[C@@H](C)NCC 666877260 487345295 /nfs/dbraw/zinc/34/52/95/487345295.db2.gz YJZPVGYUSBLBFK-GHMZBOCLSA-N 1 1 186.343 2.010 10 0 AEAEMO CCC[C@H](C)C[NH2+]C[C@@H](C)NCC 666877261 487345626 /nfs/dbraw/zinc/34/56/26/487345626.db2.gz YJZPVGYUSBLBFK-WDEREUQCSA-N 1 1 186.343 2.010 10 0 AEAEMO CCCC[C@H](CC)[NH2+][C@H](C)[C@@H](C)N 666931701 487348806 /nfs/dbraw/zinc/34/88/06/487348806.db2.gz GZWGAJYEWWYUMU-MXWKQRLJSA-N 1 1 186.343 2.281 10 0 AEAEMO CCCC(CCC)[NH2+][C@@H](C)[C@@H](C)N 666930482 487348812 /nfs/dbraw/zinc/34/88/12/487348812.db2.gz OQGRRONACGPHIZ-ZJUUUORDSA-N 1 1 186.343 2.281 10 0 AEAEMO C[C@H](N)[C@@H](C)[NH2+][C@H](C)CC1CCCC1 666931696 487348849 /nfs/dbraw/zinc/34/88/49/487348849.db2.gz FSUYYOWTGNCODU-OUAUKWLOSA-N 1 1 198.354 2.281 10 0 AEAEMO CCCC[C@H](CC)[NH2+][C@H](C)[C@H](C)N 666931699 487348894 /nfs/dbraw/zinc/34/88/94/487348894.db2.gz GZWGAJYEWWYUMU-AXFHLTTASA-N 1 1 186.343 2.281 10 0 AEAEMO CCCC[C@H](CC)[NH2+][C@@H](C)[C@@H](C)N 666931702 487348927 /nfs/dbraw/zinc/34/89/27/487348927.db2.gz GZWGAJYEWWYUMU-VWYCJHECSA-N 1 1 186.343 2.281 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+][C@H](C)CC1CCCC1 666931697 487349002 /nfs/dbraw/zinc/34/90/02/487349002.db2.gz FSUYYOWTGNCODU-VWYCJHECSA-N 1 1 198.354 2.281 10 0 AEAEMO C[C@H]([NH2+][C@H](C)CC1CCCC1)[C@@H](C)N 666931695 487349021 /nfs/dbraw/zinc/34/90/21/487349021.db2.gz FSUYYOWTGNCODU-MXWKQRLJSA-N 1 1 198.354 2.281 10 0 AEAEMO CCCC[C@H](CC)[NH2+][C@@H](C)[C@H](C)N 666931700 487349257 /nfs/dbraw/zinc/34/92/57/487349257.db2.gz GZWGAJYEWWYUMU-DCAQKATOSA-N 1 1 186.343 2.281 10 0 AEAEMO CCCC(CCC)[NH2+][C@@H](C)[C@H](C)N 666930479 487349274 /nfs/dbraw/zinc/34/92/74/487349274.db2.gz OQGRRONACGPHIZ-UWVGGRQHSA-N 1 1 186.343 2.281 10 0 AEAEMO C[C@H](CC1CCCC1)[NH2+][C@H](C)[C@@H](C)N 666931694 487349289 /nfs/dbraw/zinc/34/92/89/487349289.db2.gz FSUYYOWTGNCODU-GMTAPVOTSA-N 1 1 198.354 2.281 10 0 AEAEMO CCCC(CCC)[NH2+][C@H](C)[C@@H](C)N 666930475 487349308 /nfs/dbraw/zinc/34/93/08/487349308.db2.gz OQGRRONACGPHIZ-NXEZZACHSA-N 1 1 186.343 2.281 10 0 AEAEMO CCCC(CCC)[NH2+][C@H](C)[C@H](C)N 666930480 487349367 /nfs/dbraw/zinc/34/93/67/487349367.db2.gz OQGRRONACGPHIZ-VHSXEESVSA-N 1 1 186.343 2.281 10 0 AEAEMO CCCC[C@H](C)[NH2+][C@H]1CCCCNC1 666993020 487351907 /nfs/dbraw/zinc/35/19/07/487351907.db2.gz WUGRMAOEACWNMA-RYUDHWBXSA-N 1 1 198.354 2.297 10 0 AEAEMO CCC[C@H](CC)[NH2+][C@@H]1CCCCNC1 666992911 487351931 /nfs/dbraw/zinc/35/19/31/487351931.db2.gz DHOFQYJUNFZPLX-NWDGAFQWSA-N 1 1 198.354 2.297 10 0 AEAEMO CC(C)(C)CC[NH2+][C@@H]1CCCCNC1 666992990 487351978 /nfs/dbraw/zinc/35/19/78/487351978.db2.gz RTEPQEIFDYIEKG-LLVKDONJSA-N 1 1 198.354 2.154 10 0 AEAEMO CC(C)CCC[NH2+][C@H]1CCCCNC1 666992989 487351982 /nfs/dbraw/zinc/35/19/82/487351982.db2.gz QGBSQBZYRMWYPQ-LBPRGKRZSA-N 1 1 198.354 2.154 10 0 AEAEMO C[C@H]1[C@@H](N)CC[N@@H+]1C[C@H](C)C(C)(C)C 666983142 487351996 /nfs/dbraw/zinc/35/19/96/487351996.db2.gz FCBNIONSVVSFQZ-DCAQKATOSA-N 1 1 198.354 2.090 10 0 AEAEMO CCCC[C@@H](C)[NH2+][C@@H]1CCCCNC1 666993021 487352015 /nfs/dbraw/zinc/35/20/15/487352015.db2.gz WUGRMAOEACWNMA-VXGBXAGGSA-N 1 1 198.354 2.297 10 0 AEAEMO CCC[C@H](C)CN[C@H]1CC[NH2+]C1(C)C 666966035 487352033 /nfs/dbraw/zinc/35/20/33/487352033.db2.gz ADOGAYUSLHUFLF-QWRGUYRKSA-N 1 1 198.354 2.153 10 0 AEAEMO CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](N)[C@@H]1C 666983183 487352087 /nfs/dbraw/zinc/35/20/87/487352087.db2.gz ZDNNJWKVCYVEIJ-WOPDTQHZSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[C@@H](C)C[N@H+]1CC[C@H](N)[C@@H]1C 666983183 487352088 /nfs/dbraw/zinc/35/20/88/487352088.db2.gz ZDNNJWKVCYVEIJ-WOPDTQHZSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC[C@@H](CC)[NH2+][C@H]1CCCCNC1 666992910 487352098 /nfs/dbraw/zinc/35/20/98/487352098.db2.gz DHOFQYJUNFZPLX-NEPJUHHUSA-N 1 1 198.354 2.297 10 0 AEAEMO CCC[C@@H](C)C[NH2+][C@@H]1CCCCNC1 666992477 487352109 /nfs/dbraw/zinc/35/21/09/487352109.db2.gz AUDFCNLVBFSVAJ-VXGBXAGGSA-N 1 1 198.354 2.154 10 0 AEAEMO CC(C)(C)CC[NH2+][C@H]1CCCCNC1 666992991 487352120 /nfs/dbraw/zinc/35/21/20/487352120.db2.gz RTEPQEIFDYIEKG-NSHDSACASA-N 1 1 198.354 2.154 10 0 AEAEMO CCC[C@@H](C)CN[C@H]1CC[NH2+]C1(C)C 666966034 487352125 /nfs/dbraw/zinc/35/21/25/487352125.db2.gz ADOGAYUSLHUFLF-MNOVXSKESA-N 1 1 198.354 2.153 10 0 AEAEMO CCC[C@H](C)C[NH2+][C@H]1CCCCNC1 666992476 487352158 /nfs/dbraw/zinc/35/21/58/487352158.db2.gz AUDFCNLVBFSVAJ-RYUDHWBXSA-N 1 1 198.354 2.154 10 0 AEAEMO CCC(CC)C[NH2+][C@@H]1CCCCNC1 666992490 487352168 /nfs/dbraw/zinc/35/21/68/487352168.db2.gz GGMXIUBUEDREQE-GFCCVEGCSA-N 1 1 198.354 2.154 10 0 AEAEMO CCC[C@@H](C)CN[C@@H]1CC[NH2+]C1(C)C 666966033 487352177 /nfs/dbraw/zinc/35/21/77/487352177.db2.gz ADOGAYUSLHUFLF-GHMZBOCLSA-N 1 1 198.354 2.153 10 0 AEAEMO CC(C)CCC[NH2+][C@@H]1CCCCNC1 666992988 487352188 /nfs/dbraw/zinc/35/21/88/487352188.db2.gz QGBSQBZYRMWYPQ-GFCCVEGCSA-N 1 1 198.354 2.154 10 0 AEAEMO CCCC[C@H](C)[NH2+][C@@H]1CCCCNC1 666993019 487352235 /nfs/dbraw/zinc/35/22/35/487352235.db2.gz WUGRMAOEACWNMA-NWDGAFQWSA-N 1 1 198.354 2.297 10 0 AEAEMO CCC[C@H](CC)[NH2+][C@H]1CCCCNC1 666992912 487352257 /nfs/dbraw/zinc/35/22/57/487352257.db2.gz DHOFQYJUNFZPLX-RYUDHWBXSA-N 1 1 198.354 2.297 10 0 AEAEMO CCCC[C@@H](C)[NH2+][C@H]1CCCCNC1 666993018 487352497 /nfs/dbraw/zinc/35/24/97/487352497.db2.gz WUGRMAOEACWNMA-NEPJUHHUSA-N 1 1 198.354 2.297 10 0 AEAEMO CCC[C@@H](C)C[NH2+][C@H]1CCCCNC1 666992474 487352546 /nfs/dbraw/zinc/35/25/46/487352546.db2.gz AUDFCNLVBFSVAJ-NEPJUHHUSA-N 1 1 198.354 2.154 10 0 AEAEMO CCC[C@H](C)CN[C@@H]1CC[NH2+]C1(C)C 666966036 487352570 /nfs/dbraw/zinc/35/25/70/487352570.db2.gz ADOGAYUSLHUFLF-WDEREUQCSA-N 1 1 198.354 2.153 10 0 AEAEMO CCC[C@H](C)C[NH2+][C@@H]1CCCCNC1 666992475 487352581 /nfs/dbraw/zinc/35/25/81/487352581.db2.gz AUDFCNLVBFSVAJ-NWDGAFQWSA-N 1 1 198.354 2.154 10 0 AEAEMO CCC[C@@H](CC)[NH2+][C@@H]1CCCCNC1 666992913 487352603 /nfs/dbraw/zinc/35/26/03/487352603.db2.gz DHOFQYJUNFZPLX-VXGBXAGGSA-N 1 1 198.354 2.297 10 0 AEAEMO C[C@H]1[C@@H](N)CC[N@@H+]1C[C@@H](C)C(C)(C)C 666983143 487352614 /nfs/dbraw/zinc/35/26/14/487352614.db2.gz FCBNIONSVVSFQZ-VWYCJHECSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC(CC)C[NH2+][C@H]1CCCCNC1 666992491 487352666 /nfs/dbraw/zinc/35/26/66/487352666.db2.gz GGMXIUBUEDREQE-LBPRGKRZSA-N 1 1 198.354 2.154 10 0 AEAEMO CC[N@@H+](C)Cc1cc(COC)cs1 667495692 487356071 /nfs/dbraw/zinc/35/60/71/487356071.db2.gz VDYMZJWTZFNJGQ-UHFFFAOYSA-N 1 1 199.319 2.346 10 0 AEAEMO CCCn1nccc1C[N@@H+](C)CCC 667495923 487356166 /nfs/dbraw/zinc/35/61/66/487356166.db2.gz BJIHDVWQYZGIBW-UHFFFAOYSA-N 1 1 195.310 2.135 10 0 AEAEMO COC[C@H](C)C[N@H+]1C[C@@H]2CCCC[C@@H]21 668299561 487361730 /nfs/dbraw/zinc/36/17/30/487361730.db2.gz KICDMBVICDGYOU-WOPDTQHZSA-N 1 1 197.322 2.143 10 0 AEAEMO c1nc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)co1 668299938 487361825 /nfs/dbraw/zinc/36/18/25/487361825.db2.gz XPURXMQQIRMGMZ-ONGXEEELSA-N 1 1 192.262 2.049 10 0 AEAEMO c1nc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)co1 668299938 487361829 /nfs/dbraw/zinc/36/18/29/487361829.db2.gz XPURXMQQIRMGMZ-ONGXEEELSA-N 1 1 192.262 2.049 10 0 AEAEMO COC[C@@H](C)C[N@H+]1C[C@@H]2CCCC[C@@H]21 668299560 487361840 /nfs/dbraw/zinc/36/18/40/487361840.db2.gz KICDMBVICDGYOU-SRVKXCTJSA-N 1 1 197.322 2.143 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)Cc1cnc[nH]1 668421853 487362163 /nfs/dbraw/zinc/36/21/63/487362163.db2.gz IKCJQBPYPIAPNV-SNVBAGLBSA-N 1 1 195.310 2.278 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)Cc1cnc[nH]1 668421852 487362357 /nfs/dbraw/zinc/36/23/57/487362357.db2.gz IKCJQBPYPIAPNV-JTQLQIEISA-N 1 1 195.310 2.278 10 0 AEAEMO C[C@H]1C[N@H+](CC2(C)CC2)CC[C@@H](C)O1 668626164 487364689 /nfs/dbraw/zinc/36/46/89/487364689.db2.gz SMACSKOIZJUMMX-MNOVXSKESA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@H]1C[N@@H+](C[C@@H]2C[C@@H]2C)CC[C@@H](C)O1 668626411 487364836 /nfs/dbraw/zinc/36/48/36/487364836.db2.gz YJQDXYKJEOXLMI-USZNOCQGSA-N 1 1 197.322 2.142 10 0 AEAEMO C[C@H]1C[N@@H+](C[C@@H]2C[C@H]2C)CC[C@@H](C)O1 668626414 487364869 /nfs/dbraw/zinc/36/48/69/487364869.db2.gz YJQDXYKJEOXLMI-WYUUTHIRSA-N 1 1 197.322 2.142 10 0 AEAEMO C[C@H]1C[N@@H+](C[C@H]2C[C@@H]2C)CC[C@@H](C)O1 668626412 487365100 /nfs/dbraw/zinc/36/51/00/487365100.db2.gz YJQDXYKJEOXLMI-WHOHXGKFSA-N 1 1 197.322 2.142 10 0 AEAEMO C[C@H]1C[N@@H+](C[C@H]2C[C@H]2C)CC[C@@H](C)O1 668626413 487365123 /nfs/dbraw/zinc/36/51/23/487365123.db2.gz YJQDXYKJEOXLMI-WISYIIOYSA-N 1 1 197.322 2.142 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCC2(COC2)C1 668720041 487367813 /nfs/dbraw/zinc/36/78/13/487367813.db2.gz JAXQXWFTUSRXPT-LLVKDONJSA-N 1 1 197.322 2.145 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCC2(COC2)C1 668720042 487368036 /nfs/dbraw/zinc/36/80/36/487368036.db2.gz JAXQXWFTUSRXPT-NSHDSACASA-N 1 1 197.322 2.145 10 0 AEAEMO C[C@@H]1C[C@H]1C[N@@H+](C)CC1=CCSC1 668774588 487368405 /nfs/dbraw/zinc/36/84/05/487368405.db2.gz DFXINQPDXFIVNF-KOLCDFICSA-N 1 1 197.347 2.247 10 0 AEAEMO C[C@@H]1C[C@@H]1C[N@@H+](C)CC1=CCSC1 668774589 487368493 /nfs/dbraw/zinc/36/84/93/487368493.db2.gz DFXINQPDXFIVNF-MWLCHTKSSA-N 1 1 197.347 2.247 10 0 AEAEMO C[C@H]1C[C@H]1C[N@@H+](C)CC1=CCSC1 668774590 487368509 /nfs/dbraw/zinc/36/85/09/487368509.db2.gz DFXINQPDXFIVNF-ONGXEEELSA-N 1 1 197.347 2.247 10 0 AEAEMO C[C@H]1C[C@@H]1C[N@@H+](C)CC1=CCSC1 668774587 487368559 /nfs/dbraw/zinc/36/85/59/487368559.db2.gz DFXINQPDXFIVNF-GXSJLCMTSA-N 1 1 197.347 2.247 10 0 AEAEMO COC[C@@H](C)C[N@@H+](C)C[C@@H]1CC1(C)C 668814233 487368932 /nfs/dbraw/zinc/36/89/32/487368932.db2.gz DAFOBWZUAYMTHC-QWRGUYRKSA-N 1 1 199.338 2.247 10 0 AEAEMO COC[C@H](C)C[N@@H+](C)C[C@@H]1CC1(C)C 668814232 487368980 /nfs/dbraw/zinc/36/89/80/487368980.db2.gz DAFOBWZUAYMTHC-MNOVXSKESA-N 1 1 199.338 2.247 10 0 AEAEMO C[N@@H+](Cc1cocn1)C[C@H]1CC1(C)C 668814897 487369008 /nfs/dbraw/zinc/36/90/08/487369008.db2.gz XQWBNAZTLQYXBF-SECBINFHSA-N 1 1 194.278 2.153 10 0 AEAEMO C[N@H+](Cc1cocn1)C[C@H]1CC1(C)C 668814897 487369011 /nfs/dbraw/zinc/36/90/11/487369011.db2.gz XQWBNAZTLQYXBF-SECBINFHSA-N 1 1 194.278 2.153 10 0 AEAEMO C[N@@H+](C[C@H]1CC1(C)C)CC1(F)CC1 668814508 487369018 /nfs/dbraw/zinc/36/90/18/487369018.db2.gz LTLHLQBOEGEDND-SECBINFHSA-N 1 1 185.286 2.466 10 0 AEAEMO C[N@@H+](C[C@@H]1CC1(C)C)CC1(F)CC1 668814509 487369032 /nfs/dbraw/zinc/36/90/32/487369032.db2.gz LTLHLQBOEGEDND-VIFPVBQESA-N 1 1 185.286 2.466 10 0 AEAEMO C[N@@H+](Cc1cocn1)C[C@@H]1CC1(C)C 668814898 487369041 /nfs/dbraw/zinc/36/90/41/487369041.db2.gz XQWBNAZTLQYXBF-VIFPVBQESA-N 1 1 194.278 2.153 10 0 AEAEMO C[N@H+](Cc1cocn1)C[C@@H]1CC1(C)C 668814898 487369043 /nfs/dbraw/zinc/36/90/43/487369043.db2.gz XQWBNAZTLQYXBF-VIFPVBQESA-N 1 1 194.278 2.153 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)C1(CO)CCC1 668801800 487369089 /nfs/dbraw/zinc/36/90/89/487369089.db2.gz AEZOMOGSZUBRJU-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO COC[C@H](C)C[N@@H+](C)C[C@H]1CC1(C)C 668814231 487369116 /nfs/dbraw/zinc/36/91/16/487369116.db2.gz DAFOBWZUAYMTHC-GHMZBOCLSA-N 1 1 199.338 2.247 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)C1(CO)CCC1 668801801 487369161 /nfs/dbraw/zinc/36/91/61/487369161.db2.gz AEZOMOGSZUBRJU-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO COC[C@@H](C)C[N@@H+](C)C[C@H]1CC1(C)C 668814234 487369380 /nfs/dbraw/zinc/36/93/80/487369380.db2.gz DAFOBWZUAYMTHC-WDEREUQCSA-N 1 1 199.338 2.247 10 0 AEAEMO CCCC[N@@H+](C)Cc1cncn1CC 669487977 487373419 /nfs/dbraw/zinc/37/34/19/487373419.db2.gz CSMODAITVNKNCW-UHFFFAOYSA-N 1 1 195.310 2.135 10 0 AEAEMO CC[C@H](C)[N@@H+](C)Cc1cncn1CC 669492079 487373986 /nfs/dbraw/zinc/37/39/86/487373986.db2.gz DYENYWLVCHUWJE-JTQLQIEISA-N 1 1 195.310 2.133 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)Cc1cncn1CC 669492080 487374027 /nfs/dbraw/zinc/37/40/27/487374027.db2.gz DYENYWLVCHUWJE-SNVBAGLBSA-N 1 1 195.310 2.133 10 0 AEAEMO CC(C)N1CCC[C@]12CC[C@@H](C)[NH2+]C2 757125295 582457515 /nfs/dbraw/zinc/45/75/15/582457515.db2.gz DJAIINUBSKGMAP-VXGBXAGGSA-N 1 1 196.338 2.001 10 0 AEAEMO CC(C)N1CCC[C@@]12CC[C@@H](C)[NH2+]C2 757125276 582457602 /nfs/dbraw/zinc/45/76/02/582457602.db2.gz DJAIINUBSKGMAP-NEPJUHHUSA-N 1 1 196.338 2.001 10 0 AEAEMO CC(C)N1CCC[C@]12CC[C@H](C)[NH2+]C2 757125279 582457641 /nfs/dbraw/zinc/45/76/41/582457641.db2.gz DJAIINUBSKGMAP-NWDGAFQWSA-N 1 1 196.338 2.001 10 0 AEAEMO CCCN1CCC[C@@]12CC[C@H](C)[NH2+]C2 757126453 582457654 /nfs/dbraw/zinc/45/76/54/582457654.db2.gz FTKXGVKFPLQHEN-RYUDHWBXSA-N 1 1 196.338 2.003 10 0 AEAEMO CCCN1CCC[C@]12CC[C@@H](C)[NH2+]C2 757126456 582457674 /nfs/dbraw/zinc/45/76/74/582457674.db2.gz FTKXGVKFPLQHEN-VXGBXAGGSA-N 1 1 196.338 2.003 10 0 AEAEMO CCCN1CCC[C@@]12CC[C@@H](C)[NH2+]C2 757126450 582457845 /nfs/dbraw/zinc/45/78/45/582457845.db2.gz FTKXGVKFPLQHEN-NEPJUHHUSA-N 1 1 196.338 2.003 10 0 AEAEMO CC(C)N1CCC[C@@]12CC[C@H](C)[NH2+]C2 757125291 582457933 /nfs/dbraw/zinc/45/79/33/582457933.db2.gz DJAIINUBSKGMAP-RYUDHWBXSA-N 1 1 196.338 2.001 10 0 AEAEMO CCCN1CCC[C@]12CC[C@H](C)[NH2+]C2 757126451 582458000 /nfs/dbraw/zinc/45/80/00/582458000.db2.gz FTKXGVKFPLQHEN-NWDGAFQWSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H](C)[N@H+]1CCCC12CC[NH2+]CC2 757131165 582458251 /nfs/dbraw/zinc/45/82/51/582458251.db2.gz PNNKSUZOISDIQR-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CCCCCN1CCC[C@@]12CC[NH2+]C2 757130716 582458345 /nfs/dbraw/zinc/45/83/45/582458345.db2.gz NURQEDYQVPYUPI-LBPRGKRZSA-N 1 1 196.338 2.005 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCCC12CC[NH2+]CC2 757131162 582458517 /nfs/dbraw/zinc/45/85/17/582458517.db2.gz PNNKSUZOISDIQR-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CCC[C@@H](C)N1CCC[C@@]12CC[NH2+]C2 757127874 582458591 /nfs/dbraw/zinc/45/85/91/582458591.db2.gz IDJAWSXFXOEYKR-NEPJUHHUSA-N 1 1 196.338 2.003 10 0 AEAEMO CCC[C@H](C)N1CCC[C@]12CC[NH2+]C2 757127887 582458635 /nfs/dbraw/zinc/45/86/35/582458635.db2.gz IDJAWSXFXOEYKR-NWDGAFQWSA-N 1 1 196.338 2.003 10 0 AEAEMO CCCCCN1CCC[C@]12CC[NH2+]C2 757130705 582458650 /nfs/dbraw/zinc/45/86/50/582458650.db2.gz NURQEDYQVPYUPI-GFCCVEGCSA-N 1 1 196.338 2.005 10 0 AEAEMO CCC[C@H](C)N1CCC[C@@]12CC[NH2+]C2 757127914 582458765 /nfs/dbraw/zinc/45/87/65/582458765.db2.gz IDJAWSXFXOEYKR-RYUDHWBXSA-N 1 1 196.338 2.003 10 0 AEAEMO CCC[C@@H](C)N1CCC[C@]12CC[NH2+]C2 757127928 582458779 /nfs/dbraw/zinc/45/87/79/582458779.db2.gz IDJAWSXFXOEYKR-VXGBXAGGSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@H](C[N@@H+]1CC[C@@H]1CN)CC(C)(C)C 757141507 582462078 /nfs/dbraw/zinc/46/20/78/582462078.db2.gz DDZNPKYURVBRSW-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H](C[N@H+]1CC[C@@H]1CN)CC(C)(C)C 757141507 582462080 /nfs/dbraw/zinc/46/20/80/582462080.db2.gz DDZNPKYURVBRSW-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO c1coc([C@@H]2CCOC3(CCC3)[NH2+]2)c1 757141802 582462365 /nfs/dbraw/zinc/46/23/65/582462365.db2.gz CNMQPBUFVDWLGO-VIFPVBQESA-N 1 1 193.246 2.211 10 0 AEAEMO c1coc([C@H]2CCOC3(CCC3)[NH2+]2)c1 757141767 582462391 /nfs/dbraw/zinc/46/23/91/582462391.db2.gz CNMQPBUFVDWLGO-SECBINFHSA-N 1 1 193.246 2.211 10 0 AEAEMO C[C@@H](C[N@@H+]1CC[C@H]1CN)CC(C)(C)C 757141502 582462449 /nfs/dbraw/zinc/46/24/49/582462449.db2.gz DDZNPKYURVBRSW-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H](C[N@H+]1CC[C@H]1CN)CC(C)(C)C 757141502 582462451 /nfs/dbraw/zinc/46/24/51/582462451.db2.gz DDZNPKYURVBRSW-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H](C[N@@H+]1CC[C@H]1CN)CC(C)(C)C 757141505 582462468 /nfs/dbraw/zinc/46/24/68/582462468.db2.gz DDZNPKYURVBRSW-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H](C[N@H+]1CC[C@H]1CN)CC(C)(C)C 757141505 582462469 /nfs/dbraw/zinc/46/24/69/582462469.db2.gz DDZNPKYURVBRSW-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H](C[N@@H+]1CC[C@@H]1CN)CC(C)(C)C 757141422 582462555 /nfs/dbraw/zinc/46/25/55/582462555.db2.gz DDZNPKYURVBRSW-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H](C[N@H+]1CC[C@@H]1CN)CC(C)(C)C 757141422 582462558 /nfs/dbraw/zinc/46/25/58/582462558.db2.gz DDZNPKYURVBRSW-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1[NH2+][C@H](c2ccccc2F)CCO1 757144652 582464364 /nfs/dbraw/zinc/46/43/64/582464364.db2.gz GMKBGNXJRHMRSX-KCJUWKMLSA-N 1 1 195.237 2.223 10 0 AEAEMO C[C@@H]1[NH2+][C@@H](c2ccccc2F)CCO1 757144687 582464476 /nfs/dbraw/zinc/46/44/76/582464476.db2.gz GMKBGNXJRHMRSX-LDYMZIIASA-N 1 1 195.237 2.223 10 0 AEAEMO C[C@H]1[NH2+][C@@H](c2ccccc2F)CCO1 757144650 582464736 /nfs/dbraw/zinc/46/47/36/582464736.db2.gz GMKBGNXJRHMRSX-GZMMTYOYSA-N 1 1 195.237 2.223 10 0 AEAEMO C[C@H]1[NH2+][C@H](c2ccccc2F)CCO1 757144667 582464790 /nfs/dbraw/zinc/46/47/90/582464790.db2.gz GMKBGNXJRHMRSX-KWQFWETISA-N 1 1 195.237 2.223 10 0 AEAEMO CC[C@@H]1[NH2+][C@H](c2ccco2)CCO1 757153935 582467249 /nfs/dbraw/zinc/46/72/49/582467249.db2.gz YMQBQTCQLGTVBK-WCBMZHEXSA-N 1 1 181.235 2.067 10 0 AEAEMO CC1(C)[NH2+][C@H](c2ccco2)CCO1 757153235 582467273 /nfs/dbraw/zinc/46/72/73/582467273.db2.gz UHZDWDUKNKTRAL-QMMMGPOBSA-N 1 1 181.235 2.067 10 0 AEAEMO CC[C@@H]1[NH2+][C@@H](c2ccco2)CCO1 757153931 582467412 /nfs/dbraw/zinc/46/74/12/582467412.db2.gz YMQBQTCQLGTVBK-PSASIEDQSA-N 1 1 181.235 2.067 10 0 AEAEMO CC1(C)[NH2+][C@@H](c2ccco2)CCO1 757153230 582467622 /nfs/dbraw/zinc/46/76/22/582467622.db2.gz UHZDWDUKNKTRAL-MRVPVSSYSA-N 1 1 181.235 2.067 10 0 AEAEMO CC[C@H]1[NH2+][C@@H](c2ccco2)CCO1 757153934 582467840 /nfs/dbraw/zinc/46/78/40/582467840.db2.gz YMQBQTCQLGTVBK-SCZZXKLOSA-N 1 1 181.235 2.067 10 0 AEAEMO CCc1nc2cccc([C@H](C)[NH3+])c2[nH]1 757168790 582469915 /nfs/dbraw/zinc/46/99/15/582469915.db2.gz NNBXZVADYUAFNS-ZETCQYMHSA-N 1 1 189.262 2.145 10 0 AEAEMO CCc1nc2cccc([C@@H](C)[NH3+])c2[nH]1 757168789 582469957 /nfs/dbraw/zinc/46/99/57/582469957.db2.gz NNBXZVADYUAFNS-SSDOTTSWSA-N 1 1 189.262 2.145 10 0 AEAEMO CCCC[N@H+]1CCOC(C)(C)[C@H]1C 306241340 582485513 /nfs/dbraw/zinc/48/55/13/582485513.db2.gz HVVSGZXGRPZYRS-SNVBAGLBSA-N 1 1 185.311 2.286 10 0 AEAEMO CCCC[N@@H+]1Cc2cccnc2C1 306240106 582485731 /nfs/dbraw/zinc/48/57/31/582485731.db2.gz HFJAOBQPCPKPHO-UHFFFAOYSA-N 1 1 176.263 2.197 10 0 AEAEMO CCCC[N@H+]1Cc2cccnc2C1 306240106 582485732 /nfs/dbraw/zinc/48/57/32/582485732.db2.gz HFJAOBQPCPKPHO-UHFFFAOYSA-N 1 1 176.263 2.197 10 0 AEAEMO C[C@H]1C[C@H]1C[N@H+]1CC[C@@H](C)[C@@H](F)C1 306580140 582487315 /nfs/dbraw/zinc/48/73/15/582487315.db2.gz XYXDDKHUXFBNPB-RCWTZXSCSA-N 1 1 185.286 2.322 10 0 AEAEMO C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2C)C[C@H]1F 306580139 582487425 /nfs/dbraw/zinc/48/74/25/582487425.db2.gz XYXDDKHUXFBNPB-CHWFTXMASA-N 1 1 185.286 2.322 10 0 AEAEMO C[C@H]1C[C@H]1C[N@H+]1CC[C@@H](C)[C@H](F)C1 306580141 582487465 /nfs/dbraw/zinc/48/74/65/582487465.db2.gz XYXDDKHUXFBNPB-VPOLOUISSA-N 1 1 185.286 2.322 10 0 AEAEMO C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2C)C[C@@H]1F 306580142 582487595 /nfs/dbraw/zinc/48/75/95/582487595.db2.gz XYXDDKHUXFBNPB-ZNSHCXBVSA-N 1 1 185.286 2.322 10 0 AEAEMO CCc1ccc(C[N@H+](C)CC)o1 393321789 582492524 /nfs/dbraw/zinc/49/25/24/582492524.db2.gz MIFYZHXRUZBIGC-UHFFFAOYSA-N 1 1 167.252 2.294 10 0 AEAEMO CC(C)[C@@H](O)C[N@@H+](C)[C@@H](C)C1(C)CC1 393685394 582493099 /nfs/dbraw/zinc/49/30/99/582493099.db2.gz XOMTXWAVUYQEJS-QWRGUYRKSA-N 1 1 199.338 2.124 10 0 AEAEMO CC(C)[C@H](O)C[N@@H+](C)[C@@H](C)C1(C)CC1 393685395 582493121 /nfs/dbraw/zinc/49/31/21/582493121.db2.gz XOMTXWAVUYQEJS-WDEREUQCSA-N 1 1 199.338 2.124 10 0 AEAEMO CC(C)[C@H](O)C[N@@H+](C)[C@H](C)C1(C)CC1 393685392 582493287 /nfs/dbraw/zinc/49/32/87/582493287.db2.gz XOMTXWAVUYQEJS-GHMZBOCLSA-N 1 1 199.338 2.124 10 0 AEAEMO COC[C@H](C)C[N@@H+](C)CCC(C)C 393702780 582493474 /nfs/dbraw/zinc/49/34/74/582493474.db2.gz IVXLJIWWFTZYRX-LLVKDONJSA-N 1 1 187.327 2.247 10 0 AEAEMO CC(C)[C@@H](O)C[N@@H+](C)[C@H](C)C1(C)CC1 393685393 582493483 /nfs/dbraw/zinc/49/34/83/582493483.db2.gz XOMTXWAVUYQEJS-MNOVXSKESA-N 1 1 199.338 2.124 10 0 AEAEMO COC[C@@H](C)C[N@@H+](C)CCC(C)C 393702781 582493693 /nfs/dbraw/zinc/49/36/93/582493693.db2.gz IVXLJIWWFTZYRX-NSHDSACASA-N 1 1 187.327 2.247 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@H]1CCCN[C@H]1C 396686611 582501942 /nfs/dbraw/zinc/50/19/42/582501942.db2.gz XOYCVLSYPSPCPP-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCN(CC(C)C)[C@H]1CCC[NH2+][C@H]1C 396686611 582501943 /nfs/dbraw/zinc/50/19/43/582501943.db2.gz XOYCVLSYPSPCPP-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO C#CC[C@H]1CCC[N@H+](C(C)C)C1 146844691 582498059 /nfs/dbraw/zinc/49/80/59/582498059.db2.gz MZDXQZSMNVOBFU-NSHDSACASA-N 1 1 165.280 2.130 10 0 AEAEMO CC(C)[C@@H]1CCCC[N@@H+]1C[C@H](C)CO 396068766 582500592 /nfs/dbraw/zinc/50/05/92/582500592.db2.gz GETWBFREEAVRQJ-RYUDHWBXSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)[C@H]1CCCC[N@@H+]1C[C@@H](C)CO 396068768 582500694 /nfs/dbraw/zinc/50/06/94/582500694.db2.gz GETWBFREEAVRQJ-VXGBXAGGSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)[C@H]1CCCC[N@@H+]1C[C@H](C)CO 396068764 582500749 /nfs/dbraw/zinc/50/07/49/582500749.db2.gz GETWBFREEAVRQJ-NWDGAFQWSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)[C@@H]1CCCC[N@@H+]1C[C@@H](C)CO 396068762 582500767 /nfs/dbraw/zinc/50/07/67/582500767.db2.gz GETWBFREEAVRQJ-NEPJUHHUSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@H]1CCCN[C@@H]1C 396686607 582501778 /nfs/dbraw/zinc/50/17/78/582501778.db2.gz XOYCVLSYPSPCPP-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCN(CC(C)C)[C@H]1CCC[NH2+][C@@H]1C 396686607 582501781 /nfs/dbraw/zinc/50/17/81/582501781.db2.gz XOYCVLSYPSPCPP-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@@H]1CCCN[C@@H]1C 396686612 582501808 /nfs/dbraw/zinc/50/18/08/582501808.db2.gz XOYCVLSYPSPCPP-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCN(CC(C)C)[C@@H]1CCC[NH2+][C@@H]1C 396686612 582501810 /nfs/dbraw/zinc/50/18/10/582501810.db2.gz XOYCVLSYPSPCPP-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@@H]1CCCN[C@H]1C 396686609 582502151 /nfs/dbraw/zinc/50/21/51/582502151.db2.gz XOYCVLSYPSPCPP-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCN(CC(C)C)[C@@H]1CCC[NH2+][C@H]1C 396686609 582502153 /nfs/dbraw/zinc/50/21/53/582502153.db2.gz XOYCVLSYPSPCPP-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO Cc1n[nH]c(C[N@@H+]2CCC[C@@H]2C)c1C 894021111 582508747 /nfs/dbraw/zinc/50/87/47/582508747.db2.gz LQHVCWBMVPPQET-QMMMGPOBSA-N 1 1 193.294 2.011 10 0 AEAEMO CC[C@](C)(O)C[N@H+]1CC[C@@](C)(CC)C1 399380280 582506723 /nfs/dbraw/zinc/50/67/23/582506723.db2.gz PBGRQECQNVPADJ-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@](C)(O)C[N@H+]1CC[C@@](C)(CC)C1 399380285 582506725 /nfs/dbraw/zinc/50/67/25/582506725.db2.gz PBGRQECQNVPADJ-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@](C)(O)C[N@H+]1CC[C@](C)(CC)C1 399380284 582506804 /nfs/dbraw/zinc/50/68/04/582506804.db2.gz PBGRQECQNVPADJ-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[N@H+](Cc1ocnc1C)CC1CC1 894019360 582508700 /nfs/dbraw/zinc/50/87/00/582508700.db2.gz AYYCIWLZMJVLJW-UHFFFAOYSA-N 1 1 194.278 2.215 10 0 AEAEMO CC[C@@]1(C)CC[N@H+](C[C@](C)(O)CC)C1 399380282 582507023 /nfs/dbraw/zinc/50/70/23/582507023.db2.gz PBGRQECQNVPADJ-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO COCCC[N@@H+](C)Cc1cc(C)co1 893977580 582508563 /nfs/dbraw/zinc/50/85/63/582508563.db2.gz GASMHBVRDIXPPN-UHFFFAOYSA-N 1 1 197.278 2.056 10 0 AEAEMO Cc1n[nH]c(C[N@H+](C)C2CCC2)c1C 894033015 582508943 /nfs/dbraw/zinc/50/89/43/582508943.db2.gz WNBSCZHPKGPHGN-UHFFFAOYSA-N 1 1 193.294 2.011 10 0 AEAEMO CC[N@@H+](Cc1[nH]nc(C)c1C)C1CC1 893939420 582509187 /nfs/dbraw/zinc/50/91/87/582509187.db2.gz IRRWMVRJSUBLMU-UHFFFAOYSA-N 1 1 193.294 2.011 10 0 AEAEMO Cc1ncoc1C[N@H+]1CCCC1(C)C 893987326 582509064 /nfs/dbraw/zinc/50/90/64/582509064.db2.gz UBANWJUFFOBWDS-UHFFFAOYSA-N 1 1 194.278 2.357 10 0 AEAEMO Cc1n[nH]c(C[N@@H+]2CCC[C@H]2C)c1C 894021110 582509136 /nfs/dbraw/zinc/50/91/36/582509136.db2.gz LQHVCWBMVPPQET-MRVPVSSYSA-N 1 1 193.294 2.011 10 0 AEAEMO Cc1n[nH]c(C[N@H+]2CCC2(C)C)c1C 894032726 582509161 /nfs/dbraw/zinc/50/91/61/582509161.db2.gz SQBOIXNZRZZXTP-UHFFFAOYSA-N 1 1 193.294 2.011 10 0 AEAEMO Cc1ncoc1C[N@H+](C(C)C)C1CC1 893953603 582509405 /nfs/dbraw/zinc/50/94/05/582509405.db2.gz GEJZTGMOKGDXSE-UHFFFAOYSA-N 1 1 194.278 2.356 10 0 AEAEMO Cc1coc(C[N@@H+](C)CC2CC2)c1 893966603 582509460 /nfs/dbraw/zinc/50/94/60/582509460.db2.gz QKQXOBWIJQSRLM-UHFFFAOYSA-N 1 1 179.263 2.430 10 0 AEAEMO CC[N@@H+](Cc1ocnc1C)C1CCC1 894038728 582509467 /nfs/dbraw/zinc/50/94/67/582509467.db2.gz FMWQXCKPAJACJA-UHFFFAOYSA-N 1 1 194.278 2.357 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCNCC1(C)C 82475282 582512821 /nfs/dbraw/zinc/51/28/21/582512821.db2.gz AZENWJUMOVYXEI-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)CN1CC[NH2+]CC1(C)C 82475282 582512822 /nfs/dbraw/zinc/51/28/22/582512822.db2.gz AZENWJUMOVYXEI-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCNCC1(C)C 82475281 582513236 /nfs/dbraw/zinc/51/32/36/582513236.db2.gz AZENWJUMOVYXEI-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](C)CN1CC[NH2+]CC1(C)C 82475281 582513238 /nfs/dbraw/zinc/51/32/38/582513238.db2.gz AZENWJUMOVYXEI-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[N@H+](CC(C)C)[C@H]1CC[C@H](C)NC1 62948653 582513443 /nfs/dbraw/zinc/51/34/43/582513443.db2.gz FATXMBWRZRMFHK-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@H]1CC[C@H](C)NC1 62948653 582513446 /nfs/dbraw/zinc/51/34/46/582513446.db2.gz FATXMBWRZRMFHK-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[NH+](CCC)[C@@H]1CC[C@H](C)NC1 62948598 582513540 /nfs/dbraw/zinc/51/35/40/582513540.db2.gz YNNXCUAXQXSZIF-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[NH+](CCC)[C@@H]1CC[C@@H](C)NC1 62948600 582513615 /nfs/dbraw/zinc/51/36/15/582513615.db2.gz YNNXCUAXQXSZIF-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[NH+](CCC)[C@H]1CC[C@H](C)NC1 62948599 582513625 /nfs/dbraw/zinc/51/36/25/582513625.db2.gz YNNXCUAXQXSZIF-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[N@H+](CC(C)C)[C@@H]1CC[C@H](C)NC1 62948652 582513669 /nfs/dbraw/zinc/51/36/69/582513669.db2.gz FATXMBWRZRMFHK-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@@H]1CC[C@H](C)NC1 62948652 582513672 /nfs/dbraw/zinc/51/36/72/582513672.db2.gz FATXMBWRZRMFHK-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[NH+](CCC)[C@H]1CC[C@@H](C)NC1 62948601 582513826 /nfs/dbraw/zinc/51/38/26/582513826.db2.gz YNNXCUAXQXSZIF-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CC1=CCC[N@H+](Cc2ocnc2C)C1 894646900 582517238 /nfs/dbraw/zinc/51/72/38/582517238.db2.gz AVFNCURXQCDZLU-UHFFFAOYSA-N 1 1 192.262 2.135 10 0 AEAEMO Cc1n[nH]c(C[N@H+]2[C@@H](C)C[C@H]2C)c1C 894600165 582517279 /nfs/dbraw/zinc/51/72/79/582517279.db2.gz FMQLZZRHBVIYTL-OCAPTIKFSA-N 1 1 193.294 2.009 10 0 AEAEMO CSc1ccc(C[NH+]2CC(C)C2)o1 894608501 582517343 /nfs/dbraw/zinc/51/73/43/582517343.db2.gz KASKSEGXTVQENS-UHFFFAOYSA-N 1 1 197.303 2.453 10 0 AEAEMO CO[C@@H](C)C[N@@H+](C)Cc1cc(C)co1 894757097 582518139 /nfs/dbraw/zinc/51/81/39/582518139.db2.gz QWLABUZRBFFGGA-JTQLQIEISA-N 1 1 197.278 2.055 10 0 AEAEMO CO[C@H](C)C[N@@H+](C)Cc1cc(C)co1 894757099 582518202 /nfs/dbraw/zinc/51/82/02/582518202.db2.gz QWLABUZRBFFGGA-SNVBAGLBSA-N 1 1 197.278 2.055 10 0 AEAEMO CC[C@](C)(C[N@H+]1C[C@@H](C)[C@@H]1C)OC 894860256 582518814 /nfs/dbraw/zinc/51/88/14/582518814.db2.gz HMOWBMGFPCYGOO-OUAUKWLOSA-N 1 1 185.311 2.142 10 0 AEAEMO CCC[C@H](C[N@H+]1C[C@H](C)[C@H]1C)OC 894860648 582518863 /nfs/dbraw/zinc/51/88/63/582518863.db2.gz RYXNFKLVQDKNBW-HBNTYKKESA-N 1 1 185.311 2.142 10 0 AEAEMO Cc1occc1C[N@@H+]1C[C@@H](C)[C@H]1C 894860301 582518866 /nfs/dbraw/zinc/51/88/66/582518866.db2.gz JRKAYNBRQMMZAY-RKDXNWHRSA-N 1 1 179.263 2.428 10 0 AEAEMO CC[C@H](C)[C@H](C[N@H+]1C[C@@H](C)[C@@H]1C)OC 894860660 582518970 /nfs/dbraw/zinc/51/89/70/582518970.db2.gz SSJOLJWYULEJCH-USZNOCQGSA-N 1 1 199.338 2.388 10 0 AEAEMO CC[C@](C)(C[N@H+]1C[C@H](C)[C@H]1C)OC 894860255 582519000 /nfs/dbraw/zinc/51/90/00/582519000.db2.gz HMOWBMGFPCYGOO-HBNTYKKESA-N 1 1 185.311 2.142 10 0 AEAEMO CCCC[N@H+]1CCOC(C)(C)[C@@H]1C 306241337 582519004 /nfs/dbraw/zinc/51/90/04/582519004.db2.gz HVVSGZXGRPZYRS-JTQLQIEISA-N 1 1 185.311 2.286 10 0 AEAEMO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H]2C)sn1 894860196 582519029 /nfs/dbraw/zinc/51/90/29/582519029.db2.gz CIOCDHIAHLYGIS-VXNVDRBHSA-N 1 1 196.319 2.292 10 0 AEAEMO Cc1cc(C[N@@H+]2C[C@H](C)[C@H]2C)sn1 894860195 582519050 /nfs/dbraw/zinc/51/90/50/582519050.db2.gz CIOCDHIAHLYGIS-IONNQARKSA-N 1 1 196.319 2.292 10 0 AEAEMO Cc1cc(C[N@@H+]2C[C@@H](C)[C@@H]2C)sn1 894860193 582519060 /nfs/dbraw/zinc/51/90/60/582519060.db2.gz CIOCDHIAHLYGIS-APPZFPTMSA-N 1 1 196.319 2.292 10 0 AEAEMO Cc1occc1C[N@@H+]1C[C@@H](C)[C@@H]1C 894860298 582519081 /nfs/dbraw/zinc/51/90/81/582519081.db2.gz JRKAYNBRQMMZAY-BDAKNGLRSA-N 1 1 179.263 2.428 10 0 AEAEMO CC[C@](C)(C[N@H+]1C[C@H](C)[C@@H]1C)OC 894860253 582519140 /nfs/dbraw/zinc/51/91/40/582519140.db2.gz HMOWBMGFPCYGOO-GARJFASQSA-N 1 1 185.311 2.142 10 0 AEAEMO Cc1cc(C[N@@H+]2C[C@H](C)[C@@H]2C)sn1 894860194 582519158 /nfs/dbraw/zinc/51/91/58/582519158.db2.gz CIOCDHIAHLYGIS-CBAPKCEASA-N 1 1 196.319 2.292 10 0 AEAEMO CC[C@H](C)[C@H](C[N@H+]1C[C@@H](C)[C@H]1C)OC 894860659 582519180 /nfs/dbraw/zinc/51/91/80/582519180.db2.gz SSJOLJWYULEJCH-QCNOEVLYSA-N 1 1 199.338 2.388 10 0 AEAEMO CCC[C@H](C[N@H+]1C[C@@H](C)[C@@H]1C)OC 894860649 582519185 /nfs/dbraw/zinc/51/91/85/582519185.db2.gz RYXNFKLVQDKNBW-OUAUKWLOSA-N 1 1 185.311 2.142 10 0 AEAEMO Cc1occc1C[N@@H+]1C[C@H](C)[C@H]1C 894860299 582519205 /nfs/dbraw/zinc/51/92/05/582519205.db2.gz JRKAYNBRQMMZAY-DTWKUNHWSA-N 1 1 179.263 2.428 10 0 AEAEMO CC[C@H](C)[C@H](C[N@H+]1C[C@H](C)[C@H]1C)OC 894860661 582519217 /nfs/dbraw/zinc/51/92/17/582519217.db2.gz SSJOLJWYULEJCH-YFKTTZPYSA-N 1 1 199.338 2.388 10 0 AEAEMO CCC[C@H](C[N@H+]1C[C@H](C)[C@@H]1C)OC 894860646 582519236 /nfs/dbraw/zinc/51/92/36/582519236.db2.gz RYXNFKLVQDKNBW-GARJFASQSA-N 1 1 185.311 2.142 10 0 AEAEMO Cc1occc1C[N@@H+]1C[C@H](C)[C@@H]1C 894860300 582519254 /nfs/dbraw/zinc/51/92/54/582519254.db2.gz JRKAYNBRQMMZAY-IUCAKERBSA-N 1 1 179.263 2.428 10 0 AEAEMO CCC[C@H](C[N@H+]1C[C@@H](C)[C@H]1C)OC 894860647 582519257 /nfs/dbraw/zinc/51/92/57/582519257.db2.gz RYXNFKLVQDKNBW-GMTAPVOTSA-N 1 1 185.311 2.142 10 0 AEAEMO CC[C@H](C)[C@H](C[N@H+]1C[C@H](C)[C@@H]1C)OC 894860658 582519274 /nfs/dbraw/zinc/51/92/74/582519274.db2.gz SSJOLJWYULEJCH-BJDJZHNGSA-N 1 1 199.338 2.388 10 0 AEAEMO CC[C@](C)(C[N@H+]1C[C@@H](C)[C@H]1C)OC 894860254 582519364 /nfs/dbraw/zinc/51/93/64/582519364.db2.gz HMOWBMGFPCYGOO-GMTAPVOTSA-N 1 1 185.311 2.142 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1CC1CCSCC1 894861292 582519563 /nfs/dbraw/zinc/51/95/63/582519563.db2.gz DJFBHFLZVPJYPQ-ZJUUUORDSA-N 1 1 199.363 2.470 10 0 AEAEMO C[C@H]1C[N@@H+](CC2CCSCC2)[C@H]1C 894861290 582519585 /nfs/dbraw/zinc/51/95/85/582519585.db2.gz DJFBHFLZVPJYPQ-UWVGGRQHSA-N 1 1 199.363 2.470 10 0 AEAEMO Cc1coc(C[N@@H+]2C[C@H](C)[C@@H]2C)c1 894861688 582519591 /nfs/dbraw/zinc/51/95/91/582519591.db2.gz MGOABTIOQDOMHZ-UWVGGRQHSA-N 1 1 179.263 2.428 10 0 AEAEMO CO[C@](C)(C[N@H+]1C[C@@H](C)[C@@H]1C)C1CC1 894860466 582519613 /nfs/dbraw/zinc/51/96/13/582519613.db2.gz MUADNBLWIVOOKB-JFGNBEQYSA-N 1 1 197.322 2.142 10 0 AEAEMO CO[C@](C)(C[N@H+]1C[C@H](C)[C@H]1C)C1CC1 894860464 582519631 /nfs/dbraw/zinc/51/96/31/582519631.db2.gz MUADNBLWIVOOKB-HOSYDEDBSA-N 1 1 197.322 2.142 10 0 AEAEMO C[C@@H]1C[N@@H+](CC2CCSCC2)[C@@H]1C 894861289 582519654 /nfs/dbraw/zinc/51/96/54/582519654.db2.gz DJFBHFLZVPJYPQ-NXEZZACHSA-N 1 1 199.363 2.470 10 0 AEAEMO C[C@H]1C[N@@H+](CC2CCSCC2)[C@@H]1C 894861291 582519731 /nfs/dbraw/zinc/51/97/31/582519731.db2.gz DJFBHFLZVPJYPQ-VHSXEESVSA-N 1 1 199.363 2.470 10 0 AEAEMO Cc1coc(C[N@@H+]2C[C@@H](C)[C@@H]2C)c1 894861690 582519906 /nfs/dbraw/zinc/51/99/06/582519906.db2.gz MGOABTIOQDOMHZ-ZJUUUORDSA-N 1 1 179.263 2.428 10 0 AEAEMO Cc1coc(C[N@@H+]2C[C@@H](C)[C@H]2C)c1 894861687 582519920 /nfs/dbraw/zinc/51/99/20/582519920.db2.gz MGOABTIOQDOMHZ-NXEZZACHSA-N 1 1 179.263 2.428 10 0 AEAEMO Cc1coc(C[N@@H+]2C[C@H](C)[C@H]2C)c1 894861689 582519928 /nfs/dbraw/zinc/51/99/28/582519928.db2.gz MGOABTIOQDOMHZ-VHSXEESVSA-N 1 1 179.263 2.428 10 0 AEAEMO CO[C@](C)(C[N@H+]1C[C@@H](C)[C@H]1C)C1CC1 894860463 582519960 /nfs/dbraw/zinc/51/99/60/582519960.db2.gz MUADNBLWIVOOKB-CKYFFXLPSA-N 1 1 197.322 2.142 10 0 AEAEMO CCC[N@@H+](CC)CCCF 306494136 582520006 /nfs/dbraw/zinc/52/00/06/582520006.db2.gz ASYYQQKRZLARRD-UHFFFAOYSA-N 1 1 147.237 2.078 10 0 AEAEMO CO[C@](C)(C[N@H+]1C[C@H](C)[C@@H]1C)C1CC1 894860465 582520044 /nfs/dbraw/zinc/52/00/44/582520044.db2.gz MUADNBLWIVOOKB-JBLDHEPKSA-N 1 1 197.322 2.142 10 0 AEAEMO Cc1coc(C[N@@H+]2CC[C@@H](F)C2)c1 894875167 582520201 /nfs/dbraw/zinc/52/02/01/582520201.db2.gz WVPMQSKEKQVBCU-SECBINFHSA-N 1 1 183.226 2.132 10 0 AEAEMO Cc1coc(C[N@H+]2CC[C@@H](F)C2)c1 894875167 582520203 /nfs/dbraw/zinc/52/02/03/582520203.db2.gz WVPMQSKEKQVBCU-SECBINFHSA-N 1 1 183.226 2.132 10 0 AEAEMO Cc1coc(C[N@@H+]2CC[C@H](F)C2)c1 894875168 582520605 /nfs/dbraw/zinc/52/06/05/582520605.db2.gz WVPMQSKEKQVBCU-VIFPVBQESA-N 1 1 183.226 2.132 10 0 AEAEMO Cc1coc(C[N@H+]2CC[C@H](F)C2)c1 894875168 582520606 /nfs/dbraw/zinc/52/06/06/582520606.db2.gz WVPMQSKEKQVBCU-VIFPVBQESA-N 1 1 183.226 2.132 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1CC1(C)CC1 307581866 582521058 /nfs/dbraw/zinc/52/10/58/582521058.db2.gz SOOZTQMBLFQILW-DTORHVGOSA-N 1 1 153.269 2.269 10 0 AEAEMO CC[C@@H](C(N)=O)[N@@H+]1CC(C)=C[C@@H](C)C1 334313851 582522723 /nfs/dbraw/zinc/52/27/23/582522723.db2.gz ZGKTVHYQZNENAY-SCZZXKLOSA-N 1 1 196.294 2.198 10 0 AEAEMO CC[C@@H](C(N)=O)[N@@H+]1CC(C)=C[C@H](C)C1 334313854 582522867 /nfs/dbraw/zinc/52/28/67/582522867.db2.gz ZGKTVHYQZNENAY-WPRPVWTQSA-N 1 1 196.294 2.198 10 0 AEAEMO CC[C@H](C(N)=O)[N@@H+]1CC(C)=C[C@@H](C)C1 334313849 582522956 /nfs/dbraw/zinc/52/29/56/582522956.db2.gz ZGKTVHYQZNENAY-PSASIEDQSA-N 1 1 196.294 2.198 10 0 AEAEMO Cc1n[nH]c(C[N@H+](C)C(C)(C)C)c1C 895088500 582523179 /nfs/dbraw/zinc/52/31/79/582523179.db2.gz ZXKGRNXBLAFGLP-UHFFFAOYSA-N 1 1 195.310 2.257 10 0 AEAEMO CC[C@H](C(N)=O)[N@@H+]1CC(C)=C[C@H](C)C1 334313853 582523247 /nfs/dbraw/zinc/52/32/47/582523247.db2.gz ZGKTVHYQZNENAY-WCBMZHEXSA-N 1 1 196.294 2.198 10 0 AEAEMO CC(C)C[N@@H+](C)C1(CN)CCCCC1 20226872 582525173 /nfs/dbraw/zinc/52/51/73/582525173.db2.gz HIMIVHHTXFEIDA-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO Cc1coc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 895328349 582527234 /nfs/dbraw/zinc/52/72/34/582527234.db2.gz UYRWIAAEIHWBBJ-GHMZBOCLSA-N 1 1 191.274 2.430 10 0 AEAEMO Cc1coc(C[N@H+]2CC[C@H]3C[C@H]3C2)c1 895328352 582527356 /nfs/dbraw/zinc/52/73/56/582527356.db2.gz UYRWIAAEIHWBBJ-QWRGUYRKSA-N 1 1 191.274 2.430 10 0 AEAEMO Cc1coc(C[N@@H+]2C[C@H]3C[C@H]3C2)c1 895387341 582528045 /nfs/dbraw/zinc/52/80/45/582528045.db2.gz AZHPNHMVRTZOGG-AOOOYVTPSA-N 1 1 177.247 2.040 10 0 AEAEMO c1oc(C2CC2)nc1C[NH+]1CCCC1 727465798 582527855 /nfs/dbraw/zinc/52/78/55/582527855.db2.gz SMKPLGQFDNIIKC-UHFFFAOYSA-N 1 1 192.262 2.148 10 0 AEAEMO C[C@H]([NH2+][C@H](C)[C@@H]1CC1(F)F)C(F)F 895726090 582529897 /nfs/dbraw/zinc/52/98/97/582529897.db2.gz ZSBBJPBJFPDWES-SRQIZXRXSA-N 1 1 199.191 2.273 10 0 AEAEMO C[N@@H+](Cc1ccns1)CC1(C)CC1 895452026 582528628 /nfs/dbraw/zinc/52/86/28/582528628.db2.gz INAUCDVFPMILGC-UHFFFAOYSA-N 1 1 196.319 2.375 10 0 AEAEMO FC[C@H]1CCC[N@@H+](CC2(F)CC2)C1 895544118 582528893 /nfs/dbraw/zinc/52/88/93/582528893.db2.gz IFLCILOHOPWXGQ-SECBINFHSA-N 1 1 189.249 2.170 10 0 AEAEMO FC[C@@H]1CCC[N@@H+](CC2(F)CC2)C1 895544121 582529067 /nfs/dbraw/zinc/52/90/67/582529067.db2.gz IFLCILOHOPWXGQ-VIFPVBQESA-N 1 1 189.249 2.170 10 0 AEAEMO FC[C@H]1CCC[N@@H+](Cc2ccoc2)C1 895545499 582529087 /nfs/dbraw/zinc/52/90/87/582529087.db2.gz FNZSUSHQZJALSB-SNVBAGLBSA-N 1 1 197.253 2.461 10 0 AEAEMO Cc1coc(C[N@H+]2CC[C@H](CF)C2)c1 895568624 582529280 /nfs/dbraw/zinc/52/92/80/582529280.db2.gz ODDXQILQQCFEDM-SNVBAGLBSA-N 1 1 197.253 2.379 10 0 AEAEMO FC[C@H]1CC[N@@H+](Cc2ccoc2)C1 895574888 582529290 /nfs/dbraw/zinc/52/92/90/582529290.db2.gz QDIYMQFEUWZXGA-SECBINFHSA-N 1 1 183.226 2.071 10 0 AEAEMO FC[C@@H]1CCC[N@@H+](Cc2ccoc2)C1 895545498 582529305 /nfs/dbraw/zinc/52/93/05/582529305.db2.gz FNZSUSHQZJALSB-JTQLQIEISA-N 1 1 197.253 2.461 10 0 AEAEMO FC[C@@H]1CC[N@@H+](Cc2ccoc2)C1 895574891 582529347 /nfs/dbraw/zinc/52/93/47/582529347.db2.gz QDIYMQFEUWZXGA-VIFPVBQESA-N 1 1 183.226 2.071 10 0 AEAEMO Cc1coc(C[N@H+]2CC[C@@H](CF)C2)c1 895568614 582529393 /nfs/dbraw/zinc/52/93/93/582529393.db2.gz ODDXQILQQCFEDM-JTQLQIEISA-N 1 1 197.253 2.379 10 0 AEAEMO C[C@@H]([NH2+]C1CC(C(F)F)C1)C(F)F 895723935 582529840 /nfs/dbraw/zinc/52/98/40/582529840.db2.gz CFZNCSGVKAZBLH-IISSFJTQSA-N 1 1 199.191 2.273 10 0 AEAEMO C[C@H]([NH2+]C1CC(C(F)F)C1)C(F)F 895723939 582530063 /nfs/dbraw/zinc/53/00/63/582530063.db2.gz CFZNCSGVKAZBLH-KXGSVCODSA-N 1 1 199.191 2.273 10 0 AEAEMO C[C@H]([NH2+][C@@H](C)[C@@H]1CC1(F)F)C(F)F 895726091 582530328 /nfs/dbraw/zinc/53/03/28/582530328.db2.gz ZSBBJPBJFPDWES-ZLUOBGJFSA-N 1 1 199.191 2.273 10 0 AEAEMO C[C@H]([NH2+][C@H](C)[C@H]1CC1(F)F)C(F)F 895726089 582530450 /nfs/dbraw/zinc/53/04/50/582530450.db2.gz ZSBBJPBJFPDWES-NGJCXOISSA-N 1 1 199.191 2.273 10 0 AEAEMO C[C@H]([NH2+][C@@H](C)[C@H]1CC1(F)F)C(F)F 895726088 582530549 /nfs/dbraw/zinc/53/05/49/582530549.db2.gz ZSBBJPBJFPDWES-HCWXCVPCSA-N 1 1 199.191 2.273 10 0 AEAEMO CC1(C[N@@H+]2C[C@H]3CSC[C@H]3C2)CC1 895778831 582531035 /nfs/dbraw/zinc/53/10/35/582531035.db2.gz FWUHVBQQAKONMX-AOOOYVTPSA-N 1 1 197.347 2.081 10 0 AEAEMO FC(F)CNc1[nH]c2ccccc2[nH+]1 147884594 582532538 /nfs/dbraw/zinc/53/25/38/582532538.db2.gz VIAUSYOCUCCLSB-UHFFFAOYSA-N 1 1 197.188 2.240 10 0 AEAEMO Cc1nc(C[NH+]2C3CCC2CC3)co1 585383306 582551730 /nfs/dbraw/zinc/55/17/30/582551730.db2.gz BGDOZBASRAGDJD-UHFFFAOYSA-N 1 1 192.262 2.110 10 0 AEAEMO Cc1cc(NCC2(F)CC2)nc(C)[nH+]1 902171325 582594197 /nfs/dbraw/zinc/59/41/97/582594197.db2.gz PNQOTQQLCGVVJR-UHFFFAOYSA-N 1 1 195.241 2.007 10 0 AEAEMO CC[C@@H]1C[C@H]1CO[NH+]=C(N)[C@H]1C[C@@H]1C 902479644 582606035 /nfs/dbraw/zinc/60/60/35/582606035.db2.gz YGQZKIVHUCWZIP-JXUBOQSCSA-N 1 1 196.294 2.187 10 0 AEAEMO CC[C@@H]1C[C@H]1CO[NH+]=C(N)[C@@H]1C[C@@H]1C 902479645 582606143 /nfs/dbraw/zinc/60/61/43/582606143.db2.gz YGQZKIVHUCWZIP-QCLAVDOMSA-N 1 1 196.294 2.187 10 0 AEAEMO CC[C@@H]1C[C@H]1CO[NH+]=C(N)[C@H]1C[C@H]1C 902479643 582606170 /nfs/dbraw/zinc/60/61/70/582606170.db2.gz YGQZKIVHUCWZIP-IMSYWVGJSA-N 1 1 196.294 2.187 10 0 AEAEMO CC[C@@H]1C[C@H]1CO[NH+]=C(N)[C@@H]1C[C@H]1C 902479642 582606835 /nfs/dbraw/zinc/60/68/35/582606835.db2.gz YGQZKIVHUCWZIP-DOLQZWNJSA-N 1 1 196.294 2.187 10 0 AEAEMO FCCCC[N@H+]1CCC[C@@H](F)C1 902991796 582619875 /nfs/dbraw/zinc/61/98/75/582619875.db2.gz BJMKINPJMVTZJB-SECBINFHSA-N 1 1 177.238 2.170 10 0 AEAEMO FCCCC[N@H+]1CCC[C@H](F)C1 902991797 582620397 /nfs/dbraw/zinc/62/03/97/582620397.db2.gz BJMKINPJMVTZJB-VIFPVBQESA-N 1 1 177.238 2.170 10 0 AEAEMO CCCCN[C@H]1CC[NH2+]C12CCCC2 903487696 582625574 /nfs/dbraw/zinc/62/55/74/582625574.db2.gz LDGKGEYMJYKCMH-NSHDSACASA-N 1 1 196.338 2.051 10 0 AEAEMO CCCCN[C@@H]1CC[NH2+]C12CCCC2 903487695 582625601 /nfs/dbraw/zinc/62/56/01/582625601.db2.gz LDGKGEYMJYKCMH-LLVKDONJSA-N 1 1 196.338 2.051 10 0 AEAEMO CCCCCN[C@H]1CC[NH2+]C12CCC2 903465433 582625731 /nfs/dbraw/zinc/62/57/31/582625731.db2.gz ISLHCEJMFDJZMR-NSHDSACASA-N 1 1 196.338 2.051 10 0 AEAEMO CCCCCN[C@@H]1CC[NH2+]C12CCC2 903465431 582625971 /nfs/dbraw/zinc/62/59/71/582625971.db2.gz ISLHCEJMFDJZMR-LLVKDONJSA-N 1 1 196.338 2.051 10 0 AEAEMO CCCC[C@H](CC)N[C@@H]1C[NH2+]C[C@H]1C 903963528 582630536 /nfs/dbraw/zinc/63/05/36/582630536.db2.gz ANOCVUPAQBZWQO-GRYCIOLGSA-N 1 1 198.354 2.153 10 0 AEAEMO CCCC[C@@H](CC)N[C@@H]1C[NH2+]C[C@H]1C 903963530 582630744 /nfs/dbraw/zinc/63/07/44/582630744.db2.gz ANOCVUPAQBZWQO-IJLUTSLNSA-N 1 1 198.354 2.153 10 0 AEAEMO CCCCC[C@H](C)N[C@@H]1C[NH2+]C[C@H]1C 903964605 582630779 /nfs/dbraw/zinc/63/07/79/582630779.db2.gz RLPBWZBWKQBKRA-GRYCIOLGSA-N 1 1 198.354 2.153 10 0 AEAEMO CC(C)CC[C@@H](C)N[C@@H]1C[NH2+]C[C@H]1C 903963567 582630821 /nfs/dbraw/zinc/63/08/21/582630821.db2.gz BCBXVJVXCBLLGK-IJLUTSLNSA-N 1 1 198.354 2.009 10 0 AEAEMO CC(C)CC[C@H](C)N[C@@H]1C[NH2+]C[C@H]1C 903963566 582631015 /nfs/dbraw/zinc/63/10/15/582631015.db2.gz BCBXVJVXCBLLGK-GRYCIOLGSA-N 1 1 198.354 2.009 10 0 AEAEMO CCCCC[C@@H](C)N[C@@H]1C[NH2+]C[C@H]1C 903964606 582631183 /nfs/dbraw/zinc/63/11/83/582631183.db2.gz RLPBWZBWKQBKRA-IJLUTSLNSA-N 1 1 198.354 2.153 10 0 AEAEMO CCCC(CCC)N[C@@H]1C[NH2+]C[C@H]1C 903964131 582631224 /nfs/dbraw/zinc/63/12/24/582631224.db2.gz MSBLKLUXLRYPNI-ZYHUDNBSSA-N 1 1 198.354 2.153 10 0 AEAEMO CCC[C@@H](C)CN[C@H]1C[NH2+]CC1(C)C 904461891 582637924 /nfs/dbraw/zinc/63/79/24/582637924.db2.gz LCARSVQTKRDJKP-MNOVXSKESA-N 1 1 198.354 2.010 10 0 AEAEMO CCC[C@@H](C)CN[C@@H]1C[NH2+]CC1(C)C 904461890 582638226 /nfs/dbraw/zinc/63/82/26/582638226.db2.gz LCARSVQTKRDJKP-GHMZBOCLSA-N 1 1 198.354 2.010 10 0 AEAEMO CCC[C@H](C)CN[C@H]1C[NH2+]CC1(C)C 904461892 582638254 /nfs/dbraw/zinc/63/82/54/582638254.db2.gz LCARSVQTKRDJKP-QWRGUYRKSA-N 1 1 198.354 2.010 10 0 AEAEMO CCC[C@H](C)CN[C@@H]1C[NH2+]CC1(C)C 904461893 582638736 /nfs/dbraw/zinc/63/87/36/582638736.db2.gz LCARSVQTKRDJKP-WDEREUQCSA-N 1 1 198.354 2.010 10 0 AEAEMO CCCCCC[C@H](O)C[N@H+]1CC[C@H]1C 905973396 582653676 /nfs/dbraw/zinc/65/36/76/582653676.db2.gz IFWCZSCDDBIGPH-NEPJUHHUSA-N 1 1 199.338 2.412 10 0 AEAEMO CCCCCC[C@H](O)C[N@H+]1CC[C@@H]1C 905973398 582653750 /nfs/dbraw/zinc/65/37/50/582653750.db2.gz IFWCZSCDDBIGPH-RYUDHWBXSA-N 1 1 199.338 2.412 10 0 AEAEMO CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O 158730122 582663632 /nfs/dbraw/zinc/66/36/32/582663632.db2.gz URPQBBWACXVBKI-TUAOUCFPSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)(C)OCCC[N@H+]1CC[C@@H]2C[C@@H]21 761085216 582668127 /nfs/dbraw/zinc/66/81/27/582668127.db2.gz BBNGNWCZAKLURV-MNOVXSKESA-N 1 1 197.322 2.286 10 0 AEAEMO Fc1cccc(C[N@H+]2CC[C@@H]3C[C@@H]32)c1 761080604 582668106 /nfs/dbraw/zinc/66/81/06/582668106.db2.gz DUABIYCOTIESQC-PWSUYJOCSA-N 1 1 191.249 2.420 10 0 AEAEMO CC(C)(C)OCCC[N@H+]1CC[C@H]2C[C@H]21 761085222 582668454 /nfs/dbraw/zinc/66/84/54/582668454.db2.gz BBNGNWCZAKLURV-WDEREUQCSA-N 1 1 197.322 2.286 10 0 AEAEMO Fc1cccc(C[N@H+]2CC[C@H]3C[C@H]32)c1 761080562 582668467 /nfs/dbraw/zinc/66/84/67/582668467.db2.gz DUABIYCOTIESQC-CMPLNLGQSA-N 1 1 191.249 2.420 10 0 AEAEMO Fc1ccccc1C[N@H+]1CC[C@H]2C[C@H]21 761100072 582668826 /nfs/dbraw/zinc/66/88/26/582668826.db2.gz XYVRITLVOMVRGO-JOYOIKCWSA-N 1 1 191.249 2.420 10 0 AEAEMO Fc1ccccc1C[N@H+]1CC[C@@H]2C[C@@H]21 761100076 582669344 /nfs/dbraw/zinc/66/93/44/582669344.db2.gz XYVRITLVOMVRGO-SKDRFNHKSA-N 1 1 191.249 2.420 10 0 AEAEMO Cc1nc(C[N@@H+]2CCC2(C)C)cs1 754659157 582674230 /nfs/dbraw/zinc/67/42/30/582674230.db2.gz OBOCFBCLCDACPB-UHFFFAOYSA-N 1 1 196.319 2.436 10 0 AEAEMO Cc1nc(C[N@H+]2CCC2(C)C)cs1 754659157 582674232 /nfs/dbraw/zinc/67/42/32/582674232.db2.gz OBOCFBCLCDACPB-UHFFFAOYSA-N 1 1 196.319 2.436 10 0 AEAEMO C[N@@H+](CCc1cccc(F)c1)C1CC1 733797152 582680046 /nfs/dbraw/zinc/68/00/46/582680046.db2.gz QYPSRYVCFMGUMJ-UHFFFAOYSA-N 1 1 193.265 2.462 10 0 AEAEMO CCOCCC[N@H+]1CCCC12CCC2 769983019 582682717 /nfs/dbraw/zinc/68/27/17/582682717.db2.gz CXDUPHHVMQCEQV-UHFFFAOYSA-N 1 1 197.322 2.432 10 0 AEAEMO C[C@H]1C[N@H+](Cc2ccc(F)nc2)[C@H]1C 816648135 582684791 /nfs/dbraw/zinc/68/47/91/582684791.db2.gz FOKBQQBWUDLIPJ-IUCAKERBSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@H]1C[N@@H+](Cc2ccc(F)nc2)[C@H]1C 816648135 582684793 /nfs/dbraw/zinc/68/47/93/582684793.db2.gz FOKBQQBWUDLIPJ-IUCAKERBSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@@H]1C[N@H+](Cc2ccc(F)nc2)[C@@H]1C 816648136 582684921 /nfs/dbraw/zinc/68/49/21/582684921.db2.gz FOKBQQBWUDLIPJ-RKDXNWHRSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@@H]1C[N@@H+](Cc2ccc(F)nc2)[C@@H]1C 816648136 582684923 /nfs/dbraw/zinc/68/49/23/582684923.db2.gz FOKBQQBWUDLIPJ-RKDXNWHRSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@H]1[C@H](C)C[N@@H+]1Cc1ccc(F)nc1 816648133 582684987 /nfs/dbraw/zinc/68/49/87/582684987.db2.gz FOKBQQBWUDLIPJ-BDAKNGLRSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1Cc1ccc(F)nc1 816648133 582684989 /nfs/dbraw/zinc/68/49/89/582684989.db2.gz FOKBQQBWUDLIPJ-BDAKNGLRSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@H]1C[N@H+](Cc2ccc(F)nc2)[C@@H]1C 816648134 582685352 /nfs/dbraw/zinc/68/53/52/582685352.db2.gz FOKBQQBWUDLIPJ-DTWKUNHWSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@H]1C[N@@H+](Cc2ccc(F)nc2)[C@@H]1C 816648134 582685353 /nfs/dbraw/zinc/68/53/53/582685353.db2.gz FOKBQQBWUDLIPJ-DTWKUNHWSA-N 1 1 194.253 2.061 10 0 AEAEMO CCCc1[nH+]ccn1CCCCOC 158536817 582696659 /nfs/dbraw/zinc/69/66/59/582696659.db2.gz BVRDTNOQTKMZFK-UHFFFAOYSA-N 1 1 196.294 2.262 10 0 AEAEMO CC[C@H]1CCC[N@@H+](Cc2cocn2)C1 205536559 582709959 /nfs/dbraw/zinc/70/99/59/582709959.db2.gz XQUOGFZWNPNNGM-JTQLQIEISA-N 1 1 194.278 2.297 10 0 AEAEMO CC[C@@H]1CCC[N@@H+](Cc2cocn2)C1 205536547 582710055 /nfs/dbraw/zinc/71/00/55/582710055.db2.gz XQUOGFZWNPNNGM-SNVBAGLBSA-N 1 1 194.278 2.297 10 0 AEAEMO CCC1CC[NH+](Cc2cocn2)CC1 205535174 582710336 /nfs/dbraw/zinc/71/03/36/582710336.db2.gz CXVCTZYGCWJUJD-UHFFFAOYSA-N 1 1 194.278 2.297 10 0 AEAEMO CC(C)CC[N@@H+](CCN)C1CCCC1 42428180 582712366 /nfs/dbraw/zinc/71/23/66/582712366.db2.gz KWAIKCLCWZLHOS-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)CCCF 378968676 582712752 /nfs/dbraw/zinc/71/27/52/582712752.db2.gz DRPOZHAXQMOOBB-VIFPVBQESA-N 1 1 161.264 2.466 10 0 AEAEMO CCC[N@@H+](C)CCCCCF 378932748 582712789 /nfs/dbraw/zinc/71/27/89/582712789.db2.gz BBLVMHFAGNFGAZ-UHFFFAOYSA-N 1 1 161.264 2.468 10 0 AEAEMO C[N@@H+](CCCCF)C1CCC1 378965974 582712801 /nfs/dbraw/zinc/71/28/01/582712801.db2.gz BJWUVXYGTRRNMX-UHFFFAOYSA-N 1 1 159.248 2.220 10 0 AEAEMO CCC[N@@H+](C)C/C=C\Cl 207809665 582712682 /nfs/dbraw/zinc/71/26/82/582712682.db2.gz BWUQCQYQENOGSG-PLNGDYQASA-N 1 1 147.649 2.081 10 0 AEAEMO CO[C@H](C)C[N@@H+](C)Cc1ccccc1 198664739 582714659 /nfs/dbraw/zinc/71/46/59/582714659.db2.gz SZRJPJVQRAKDAM-LLVKDONJSA-N 1 1 193.290 2.153 10 0 AEAEMO CC(C)[N@@H+](C[C@H](O)C1CC1)C1CCC1 838895409 582722878 /nfs/dbraw/zinc/72/28/78/582722878.db2.gz OASMBYJQRJHHJL-LBPRGKRZSA-N 1 1 197.322 2.020 10 0 AEAEMO CC(C)[N@@H+](C[C@@H](O)C1CC1)C1CCC1 838895408 582723128 /nfs/dbraw/zinc/72/31/28/582723128.db2.gz OASMBYJQRJHHJL-GFCCVEGCSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@@H]1CCC(C)(C)[N@H+]1C[C@H](O)C1CC1 839029918 582724880 /nfs/dbraw/zinc/72/48/80/582724880.db2.gz SLRRRJLUFWBEQH-KOLCDFICSA-N 1 1 197.322 2.020 10 0 AEAEMO Cc1cc(C[NH+]2CC(C(C)C)C2)no1 839064190 582724958 /nfs/dbraw/zinc/72/49/58/582724958.db2.gz FMSZUXZFMDXKIZ-UHFFFAOYSA-N 1 1 194.278 2.071 10 0 AEAEMO C[C@@H]1CCC(C)(C)[N@H+]1C[C@@H](O)C1CC1 839029919 582725114 /nfs/dbraw/zinc/72/51/14/582725114.db2.gz SLRRRJLUFWBEQH-MWLCHTKSSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@H]1CCC(C)(C)[N@H+]1C[C@H](O)C1CC1 839029920 582725152 /nfs/dbraw/zinc/72/51/52/582725152.db2.gz SLRRRJLUFWBEQH-ONGXEEELSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@H]1CCC(C)(C)[N@H+]1C[C@@H](O)C1CC1 839029916 582725630 /nfs/dbraw/zinc/72/56/30/582725630.db2.gz SLRRRJLUFWBEQH-GXSJLCMTSA-N 1 1 197.322 2.020 10 0 AEAEMO CCC(CC)[N@@H+](CC)C[C@H](O)C1CC1 839015011 582725657 /nfs/dbraw/zinc/72/56/57/582725657.db2.gz GUVQDVYYVHXQOQ-LBPRGKRZSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC(CC)[N@@H+](CC)C[C@@H](O)C1CC1 839015008 582725665 /nfs/dbraw/zinc/72/56/65/582725665.db2.gz GUVQDVYYVHXQOQ-GFCCVEGCSA-N 1 1 199.338 2.268 10 0 AEAEMO FC1CC2(C1)C[NH+](Cc1ccoc1)C2 839140455 582726482 /nfs/dbraw/zinc/72/64/82/582726482.db2.gz QVVYNPGTVRDQBW-UHFFFAOYSA-N 1 1 195.237 2.214 10 0 AEAEMO CCCCCC[N@@H+](C)Cc1cc[nH]n1 740877818 582730364 /nfs/dbraw/zinc/73/03/64/582730364.db2.gz ZKPQERHJRGCLDS-UHFFFAOYSA-N 1 1 195.310 2.422 10 0 AEAEMO CCOCCC[N@@H+](CC)C(C)C 741777193 582733464 /nfs/dbraw/zinc/73/34/64/582733464.db2.gz FGUNWBFZYFOAIR-UHFFFAOYSA-N 1 1 173.300 2.143 10 0 AEAEMO C[N@@H+](CCCCCCCO)CC1CC1 743840984 582737706 /nfs/dbraw/zinc/73/77/06/582737706.db2.gz BDXSSYRTIFXFGD-UHFFFAOYSA-N 1 1 199.338 2.271 10 0 AEAEMO CC[C@@]1(C)CCC[N@@H+](CCC(C)=O)C1 744421194 582740988 /nfs/dbraw/zinc/74/09/88/582740988.db2.gz XITFHXWPMVZWPO-LBPRGKRZSA-N 1 1 197.322 2.478 10 0 AEAEMO CC[C@]1(C)CCC[N@@H+](CCC(C)=O)C1 744421192 582741529 /nfs/dbraw/zinc/74/15/29/582741529.db2.gz XITFHXWPMVZWPO-GFCCVEGCSA-N 1 1 197.322 2.478 10 0 AEAEMO CCC[C@H](C)[N@@H+]1C[C@H]2CSC[C@H]2C1 886570779 582745921 /nfs/dbraw/zinc/74/59/21/582745921.db2.gz XAJIXLNRMWJZQU-GARJFASQSA-N 1 1 199.363 2.470 10 0 AEAEMO CCC[C@@H](C)[N@@H+]1C[C@H]2CSC[C@H]2C1 886570780 582746267 /nfs/dbraw/zinc/74/62/67/582746267.db2.gz XAJIXLNRMWJZQU-MXWKQRLJSA-N 1 1 199.363 2.470 10 0 AEAEMO CC(C)C[N@H+]1CCC1(C)C 746463388 582746894 /nfs/dbraw/zinc/74/68/94/582746894.db2.gz TZYYERZFJLARGB-UHFFFAOYSA-N 1 1 141.258 2.127 10 0 AEAEMO FCC[N@H+]1CC[C@@H](c2ccccc2)C1 746502594 582747029 /nfs/dbraw/zinc/74/70/29/582747029.db2.gz GLKQZTJJWNGTOV-GFCCVEGCSA-N 1 1 193.265 2.445 10 0 AEAEMO Cc1noc(C)c1C[N@H+]1CCC1(C)C 746461957 582747102 /nfs/dbraw/zinc/74/71/02/582747102.db2.gz HTTSUSPZYVHMGQ-UHFFFAOYSA-N 1 1 194.278 2.276 10 0 AEAEMO FCC[N@H+]1CC[C@H](c2ccccc2)C1 746502596 582747228 /nfs/dbraw/zinc/74/72/28/582747228.db2.gz GLKQZTJJWNGTOV-LBPRGKRZSA-N 1 1 193.265 2.445 10 0 AEAEMO CCOCC[N@H+]1C[C@@H](C)CC1(C)C 746673449 582747479 /nfs/dbraw/zinc/74/74/79/582747479.db2.gz BMFILSFXXXJYOC-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO COc1ccc(C[N@H+](C)CCF)cc1 746492905 582747570 /nfs/dbraw/zinc/74/75/70/582747570.db2.gz CFDRZDREVQRHGR-UHFFFAOYSA-N 1 1 197.253 2.097 10 0 AEAEMO COc1ccc(C[N@@H+](C)CCF)cc1 746492905 582747572 /nfs/dbraw/zinc/74/75/72/582747572.db2.gz CFDRZDREVQRHGR-UHFFFAOYSA-N 1 1 197.253 2.097 10 0 AEAEMO CCOCC[N@H+]1C[C@H](C)CC1(C)C 746673460 582747584 /nfs/dbraw/zinc/74/75/84/582747584.db2.gz BMFILSFXXXJYOC-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO CSCC[N@H+]1C[C@@H](C)CC1(C)C 747532060 582749477 /nfs/dbraw/zinc/74/94/77/582749477.db2.gz RGPIZABQFHPOQI-VIFPVBQESA-N 1 1 187.352 2.470 10 0 AEAEMO CSCC[N@H+]1C[C@H](C)CC1(C)C 747532058 582749260 /nfs/dbraw/zinc/74/92/60/582749260.db2.gz RGPIZABQFHPOQI-SECBINFHSA-N 1 1 187.352 2.470 10 0 AEAEMO CCC(=O)CC[N@H+]1CCC[C@H]1C1CC1 753704477 582774159 /nfs/dbraw/zinc/77/41/59/582774159.db2.gz HOVIBPFEFYYBHR-LBPRGKRZSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC(=O)CC[N@H+]1C[C@H](C)CC[C@@H]1C 753731024 582774320 /nfs/dbraw/zinc/77/43/20/582774320.db2.gz FDGHEDATQOONED-MNOVXSKESA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1C 753722086 582774365 /nfs/dbraw/zinc/77/43/65/582774365.db2.gz FXFPOQVLOIMQHN-QWRGUYRKSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(C)(C)C(=O)CC[N@@H+]1CC=CCC1 753745342 582774371 /nfs/dbraw/zinc/77/43/71/582774371.db2.gz GLEGUWWYWYOBIW-UHFFFAOYSA-N 1 1 195.306 2.254 10 0 AEAEMO CCC(=O)CC[N@H+]1CCC[C@H](C)[C@H]1C 753722087 582774376 /nfs/dbraw/zinc/77/43/76/582774376.db2.gz FXFPOQVLOIMQHN-WDEREUQCSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(=O)CC[N@H+]1C[C@@H](C)CC[C@@H]1C 753731025 582774635 /nfs/dbraw/zinc/77/46/35/582774635.db2.gz FDGHEDATQOONED-QWRGUYRKSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(=O)CC[N@H+]1C[C@@H](C)C[C@@H](C)C1 753696200 582774769 /nfs/dbraw/zinc/77/47/69/582774769.db2.gz HSXOFQKHQDKFQT-PHIMTYICSA-N 1 1 197.322 2.334 10 0 AEAEMO CCC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1C 753722084 582774773 /nfs/dbraw/zinc/77/47/73/582774773.db2.gz FXFPOQVLOIMQHN-GHMZBOCLSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(=O)CC[N@H+]1CC[C@@H](C(C)C)C1 753738601 582774817 /nfs/dbraw/zinc/77/48/17/582774817.db2.gz NAWPSYPPWNZQHO-LLVKDONJSA-N 1 1 197.322 2.334 10 0 AEAEMO CCC(=O)CC[N@H+]1C[C@H](C)CC[C@H]1C 753731022 582775057 /nfs/dbraw/zinc/77/50/57/582775057.db2.gz FDGHEDATQOONED-GHMZBOCLSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1C 753722085 582775129 /nfs/dbraw/zinc/77/51/29/582775129.db2.gz FXFPOQVLOIMQHN-MNOVXSKESA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(=O)CC[N@H+]1CCC[C@@H](C)CC1 753705751 582775164 /nfs/dbraw/zinc/77/51/64/582775164.db2.gz OPUHCVIVJDAZMR-LLVKDONJSA-N 1 1 197.322 2.478 10 0 AEAEMO CCC(=O)CC[N@H+]1C[C@@H](C)CC[C@H]1C 753731028 582775178 /nfs/dbraw/zinc/77/51/78/582775178.db2.gz FDGHEDATQOONED-WDEREUQCSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(=O)CC[N@H+]1CC[C@H](C(C)C)C1 753738605 582775200 /nfs/dbraw/zinc/77/52/00/582775200.db2.gz NAWPSYPPWNZQHO-NSHDSACASA-N 1 1 197.322 2.334 10 0 AEAEMO CCC(=O)CC[N@H+]1CCC[C@@H]1C1CC1 753704476 582775221 /nfs/dbraw/zinc/77/52/21/582775221.db2.gz HOVIBPFEFYYBHR-GFCCVEGCSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC(=O)CC[N@H+]1CCC[C@H](C)CC1 753705754 582775279 /nfs/dbraw/zinc/77/52/79/582775279.db2.gz OPUHCVIVJDAZMR-NSHDSACASA-N 1 1 197.322 2.478 10 0 AEAEMO COC(C)(C)C[N@@H+](C)[C@H](C)C1CC1 753915461 582778120 /nfs/dbraw/zinc/77/81/20/582778120.db2.gz MRPAQHHUOVZMEG-SECBINFHSA-N 1 1 185.311 2.142 10 0 AEAEMO COC(C)(C)C[N@@H+](C)[C@@H](C)C1CC1 753915513 582778323 /nfs/dbraw/zinc/77/83/23/582778323.db2.gz MRPAQHHUOVZMEG-VIFPVBQESA-N 1 1 185.311 2.142 10 0 AEAEMO C1CC[C@H](CC[N@H+]2CC[C@@H]3C[C@@H]32)OC1 754083536 582779225 /nfs/dbraw/zinc/77/92/25/582779225.db2.gz WOTSUWYBGNJDSQ-UTUOFQBUSA-N 1 1 195.306 2.040 10 0 AEAEMO C1CC[C@H](CC[N@H+]2CC[C@H]3C[C@H]32)OC1 754083531 582779559 /nfs/dbraw/zinc/77/95/59/582779559.db2.gz WOTSUWYBGNJDSQ-QJPTWQEYSA-N 1 1 195.306 2.040 10 0 AEAEMO CC1(C)CC[C@H](C[N@H+]2CC[C@@H]3C[C@@H]32)O1 839531862 582782709 /nfs/dbraw/zinc/78/27/09/582782709.db2.gz HYLGAWNHMRDAAD-MXWKQRLJSA-N 1 1 195.306 2.038 10 0 AEAEMO CC1(C)CC[C@H](C[N@H+]2CC[C@H]3C[C@H]32)O1 839531860 582783098 /nfs/dbraw/zinc/78/30/98/582783098.db2.gz HYLGAWNHMRDAAD-HBNTYKKESA-N 1 1 195.306 2.038 10 0 AEAEMO Cc1ncc(C[N@H+]2CCC2(C)C)s1 754661180 582783163 /nfs/dbraw/zinc/78/31/63/582783163.db2.gz XBNCBOYCVHAXDB-UHFFFAOYSA-N 1 1 196.319 2.436 10 0 AEAEMO CC(=O)CC[N@@H+]1CC(C)(C)C[C@H]1C 839659439 582795123 /nfs/dbraw/zinc/79/51/23/582795123.db2.gz DLVQEWBGTYZGST-SECBINFHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[N@H+](CCF)Cc1occc1C 839661690 582795144 /nfs/dbraw/zinc/79/51/44/582795144.db2.gz DWOIVQINGQQKMP-UHFFFAOYSA-N 1 1 185.242 2.379 10 0 AEAEMO CC[N@@H+](CCF)Cc1occc1C 839661690 582795145 /nfs/dbraw/zinc/79/51/45/582795145.db2.gz DWOIVQINGQQKMP-UHFFFAOYSA-N 1 1 185.242 2.379 10 0 AEAEMO CC[N@@H+](CCF)C1CC(C)(C)C1 839663720 582795439 /nfs/dbraw/zinc/79/54/39/582795439.db2.gz JQJJWRODNVUVRR-UHFFFAOYSA-N 1 1 173.275 2.466 10 0 AEAEMO CC(=O)CC[N@@H+]1CC(C)(C)C[C@@H]1C 839659440 582795487 /nfs/dbraw/zinc/79/54/87/582795487.db2.gz DLVQEWBGTYZGST-VIFPVBQESA-N 1 1 183.295 2.086 10 0 AEAEMO CC(=O)CC[N@H+]1CC[C@H](C2CCC2)C1 839678262 582796576 /nfs/dbraw/zinc/79/65/76/582796576.db2.gz YJUXVACNLGHDFT-LBPRGKRZSA-N 1 1 195.306 2.088 10 0 AEAEMO FCC[N@H+]1CC[C@H](C2CCC2)C1 839678875 582796660 /nfs/dbraw/zinc/79/66/60/582796660.db2.gz AECZUNVCJOTWDM-JTQLQIEISA-N 1 1 171.259 2.078 10 0 AEAEMO FCC[N@H+]1CC[C@@H](C2CCC2)C1 839678876 582796844 /nfs/dbraw/zinc/79/68/44/582796844.db2.gz AECZUNVCJOTWDM-SNVBAGLBSA-N 1 1 171.259 2.078 10 0 AEAEMO CC[N@@H+](CCC(C)=O)C1CC(C)(C)C1 839665379 582796893 /nfs/dbraw/zinc/79/68/93/582796893.db2.gz MJSBTRPFNPFGRS-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(=O)CC[N@H+]1CC[C@@H](C2CCC2)C1 839678260 582797047 /nfs/dbraw/zinc/79/70/47/582797047.db2.gz YJUXVACNLGHDFT-GFCCVEGCSA-N 1 1 195.306 2.088 10 0 AEAEMO Cc1cccc2c1CC[N@H+](CCF)C2 759337755 582801716 /nfs/dbraw/zinc/80/17/16/582801716.db2.gz GLTCJQFHNDEGRD-UHFFFAOYSA-N 1 1 193.265 2.323 10 0 AEAEMO Cc1cccc2c1CC[N@@H+](CCF)C2 759337755 582801718 /nfs/dbraw/zinc/80/17/18/582801718.db2.gz GLTCJQFHNDEGRD-UHFFFAOYSA-N 1 1 193.265 2.323 10 0 AEAEMO C[C@@H]1Cc2ccccc2C[N@H+]1CCF 759342271 582802089 /nfs/dbraw/zinc/80/20/89/582802089.db2.gz GMELPXCIQPJAKH-SNVBAGLBSA-N 1 1 193.265 2.403 10 0 AEAEMO C[C@H]1Cc2ccccc2C[N@H+]1CCF 759342269 582802179 /nfs/dbraw/zinc/80/21/79/582802179.db2.gz GMELPXCIQPJAKH-JTQLQIEISA-N 1 1 193.265 2.403 10 0 AEAEMO C[N@@H+](CCF)CCc1ccc(F)cc1 759331181 582802404 /nfs/dbraw/zinc/80/24/04/582802404.db2.gz WYUOUJOBGQJZSX-UHFFFAOYSA-N 1 1 199.244 2.270 10 0 AEAEMO FCC[N@H+]1CCCc2ccccc2C1 759345283 582802778 /nfs/dbraw/zinc/80/27/78/582802778.db2.gz DDNSUMKANHDRBO-UHFFFAOYSA-N 1 1 193.265 2.404 10 0 AEAEMO CC(C)CCC[N@H+]1CCN(C)[C@@H](C)C1 759397965 582803313 /nfs/dbraw/zinc/80/33/13/582803313.db2.gz HKCPIALMLLVCEP-LBPRGKRZSA-N 1 1 198.354 2.059 10 0 AEAEMO CC(C)CCC[N@H+]1CCN(C)[C@H](C)C1 759397955 582803336 /nfs/dbraw/zinc/80/33/36/582803336.db2.gz HKCPIALMLLVCEP-GFCCVEGCSA-N 1 1 198.354 2.059 10 0 AEAEMO CC(=O)CC[N@@H+]1CC[C@@H](C)C(C)(C)C1 759921753 582806326 /nfs/dbraw/zinc/80/63/26/582806326.db2.gz IRSBOOAFCHIUMP-SNVBAGLBSA-N 1 1 197.322 2.334 10 0 AEAEMO CC(=O)CC[N@@H+]1CC[C@H](C)C(C)(C)C1 759921752 582806351 /nfs/dbraw/zinc/80/63/51/582806351.db2.gz IRSBOOAFCHIUMP-JTQLQIEISA-N 1 1 197.322 2.334 10 0 AEAEMO C[C@H](c1ccccn1)[N@H+]1CC[C@@H]2C[C@@H]21 761091897 582808734 /nfs/dbraw/zinc/80/87/34/582808734.db2.gz MFTACARLXCHOEQ-FOGDFJRCSA-N 1 1 188.274 2.237 10 0 AEAEMO c1ccc(CC[N@H+]2CC[C@H]3C[C@H]32)cc1 761084434 582808932 /nfs/dbraw/zinc/80/89/32/582808932.db2.gz AKXFDBJCAQCVTF-QWHCGFSZSA-N 1 1 187.286 2.323 10 0 AEAEMO c1ccc(CC[N@H+]2CC[C@@H]3C[C@@H]32)cc1 761084426 582808978 /nfs/dbraw/zinc/80/89/78/582808978.db2.gz AKXFDBJCAQCVTF-OLZOCXBDSA-N 1 1 187.286 2.323 10 0 AEAEMO OCCCCCCC[N@H+]1CC[C@H]2C[C@H]21 761081901 582809039 /nfs/dbraw/zinc/80/90/39/582809039.db2.gz GFQDRRCMGRQKPD-NWDGAFQWSA-N 1 1 197.322 2.023 10 0 AEAEMO C[C@H](c1ccccn1)[N@H+]1CC[C@H]2C[C@H]21 761091898 582809364 /nfs/dbraw/zinc/80/93/64/582809364.db2.gz MFTACARLXCHOEQ-JFGNBEQYSA-N 1 1 188.274 2.237 10 0 AEAEMO OCCCCCCC[N@H+]1CC[C@@H]2C[C@@H]21 761081899 582809445 /nfs/dbraw/zinc/80/94/45/582809445.db2.gz GFQDRRCMGRQKPD-NEPJUHHUSA-N 1 1 197.322 2.023 10 0 AEAEMO CC[C@H](C)C[N@H+]1CC[C@@H]2C[C@@H]21 761095915 582810015 /nfs/dbraw/zinc/81/00/15/582810015.db2.gz PQPLBMSACIPTAQ-AEJSXWLSSA-N 1 1 153.269 2.127 10 0 AEAEMO CC[C@H](C)C[N@H+]1CC[C@H]2C[C@H]21 761095918 582810224 /nfs/dbraw/zinc/81/02/24/582810224.db2.gz PQPLBMSACIPTAQ-LPEHRKFASA-N 1 1 153.269 2.127 10 0 AEAEMO C[C@H](c1cccnc1)[N@H+]1CC[C@@H]2C[C@@H]21 761092190 582810238 /nfs/dbraw/zinc/81/02/38/582810238.db2.gz MGLVCVXTWQSNFI-FOGDFJRCSA-N 1 1 188.274 2.237 10 0 AEAEMO C[C@H](c1cccnc1)[N@H+]1CC[C@H]2C[C@H]21 761092193 582810277 /nfs/dbraw/zinc/81/02/77/582810277.db2.gz MGLVCVXTWQSNFI-JFGNBEQYSA-N 1 1 188.274 2.237 10 0 AEAEMO Fc1ccc(C[N@H+]2CC[C@@H]3C[C@@H]32)cc1 761093076 582810436 /nfs/dbraw/zinc/81/04/36/582810436.db2.gz LORWIHFQFKYWPR-PWSUYJOCSA-N 1 1 191.249 2.420 10 0 AEAEMO Fc1ccc(C[N@H+]2CC[C@H]3C[C@H]32)cc1 761093073 582810455 /nfs/dbraw/zinc/81/04/55/582810455.db2.gz LORWIHFQFKYWPR-CMPLNLGQSA-N 1 1 191.249 2.420 10 0 AEAEMO Cc1csc(C[N@@H+]2CC[C@H]3C[C@H]32)n1 761092169 582810505 /nfs/dbraw/zinc/81/05/05/582810505.db2.gz KHMNURUQTYZBIM-DTWKUNHWSA-N 1 1 194.303 2.046 10 0 AEAEMO Cc1csc(C[N@H+]2CC[C@H]3C[C@H]32)n1 761092169 582810506 /nfs/dbraw/zinc/81/05/06/582810506.db2.gz KHMNURUQTYZBIM-DTWKUNHWSA-N 1 1 194.303 2.046 10 0 AEAEMO C[C@H](c1ccncc1)[N@H+]1CC[C@H]2C[C@H]21 761095456 582810518 /nfs/dbraw/zinc/81/05/18/582810518.db2.gz PNKFZORDWMYUCF-ADEWGFFLSA-N 1 1 188.274 2.237 10 0 AEAEMO Cc1csc(C[N@@H+]2CC[C@@H]3C[C@@H]32)n1 761092167 582810548 /nfs/dbraw/zinc/81/05/48/582810548.db2.gz KHMNURUQTYZBIM-BDAKNGLRSA-N 1 1 194.303 2.046 10 0 AEAEMO Cc1csc(C[N@H+]2CC[C@@H]3C[C@@H]32)n1 761092167 582810550 /nfs/dbraw/zinc/81/05/50/582810550.db2.gz KHMNURUQTYZBIM-BDAKNGLRSA-N 1 1 194.303 2.046 10 0 AEAEMO Cc1nc(C[N@@H+]2CC[C@H]3C[C@H]32)cs1 761097222 582810574 /nfs/dbraw/zinc/81/05/74/582810574.db2.gz UEYZMWPIGQXDQI-WCBMZHEXSA-N 1 1 194.303 2.046 10 0 AEAEMO Cc1nc(C[N@H+]2CC[C@H]3C[C@H]32)cs1 761097222 582810575 /nfs/dbraw/zinc/81/05/75/582810575.db2.gz UEYZMWPIGQXDQI-WCBMZHEXSA-N 1 1 194.303 2.046 10 0 AEAEMO Cc1nc(C[N@@H+]2CC[C@@H]3C[C@@H]32)cs1 761097221 582810578 /nfs/dbraw/zinc/81/05/78/582810578.db2.gz UEYZMWPIGQXDQI-SCZZXKLOSA-N 1 1 194.303 2.046 10 0 AEAEMO Cc1nc(C[N@H+]2CC[C@@H]3C[C@@H]32)cs1 761097221 582810579 /nfs/dbraw/zinc/81/05/79/582810579.db2.gz UEYZMWPIGQXDQI-SCZZXKLOSA-N 1 1 194.303 2.046 10 0 AEAEMO C[C@H](c1ccncc1)[N@H+]1CC[C@@H]2C[C@@H]21 761095458 582810603 /nfs/dbraw/zinc/81/06/03/582810603.db2.gz PNKFZORDWMYUCF-JLLWLGSASA-N 1 1 188.274 2.237 10 0 AEAEMO Cc1csc(C[N@@H+]2CCC2(C)C)n1 763560352 582819154 /nfs/dbraw/zinc/81/91/54/582819154.db2.gz NSNAOYPGJATTBW-UHFFFAOYSA-N 1 1 196.319 2.436 10 0 AEAEMO Cc1csc(C[N@H+]2CCC2(C)C)n1 763560352 582819157 /nfs/dbraw/zinc/81/91/57/582819157.db2.gz NSNAOYPGJATTBW-UHFFFAOYSA-N 1 1 196.319 2.436 10 0 AEAEMO CC/C=C/CC[N@H+]1CCOCC[C@H]1C 767339126 582830683 /nfs/dbraw/zinc/83/06/83/582830683.db2.gz UDULVFDSCUTIFE-ZYOFXKKJSA-N 1 1 197.322 2.454 10 0 AEAEMO CC(C)CC[N@@H+](C)CCC(=O)C1CC1 767347590 582831001 /nfs/dbraw/zinc/83/10/01/582831001.db2.gz BCUQAGVUCHIAIU-UHFFFAOYSA-N 1 1 197.322 2.334 10 0 AEAEMO C[C@@H](C1CC1)[N@@H+](C)CCC(=O)C1CC1 767357970 582831009 /nfs/dbraw/zinc/83/10/09/582831009.db2.gz CRXYSVZOUWVZMX-VIFPVBQESA-N 1 1 195.306 2.086 10 0 AEAEMO CC/C=C\CC[N@H+]1CCOCC[C@@H]1C 767339125 582831014 /nfs/dbraw/zinc/83/10/14/582831014.db2.gz UDULVFDSCUTIFE-RXNFCKPNSA-N 1 1 197.322 2.454 10 0 AEAEMO CC1(C)CCC[N@H+]1CCC(=O)C1CC1 767371731 582831025 /nfs/dbraw/zinc/83/10/25/582831025.db2.gz ZLVQLEUNAHIOAH-UHFFFAOYSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)CCC(=O)C1CC1 767349983 582831187 /nfs/dbraw/zinc/83/11/87/582831187.db2.gz BBMXFFQPIDRIEI-SNVBAGLBSA-N 1 1 197.322 2.476 10 0 AEAEMO CC/C=C\CC[N@H+]1CCOC[C@@H](C)C1 767330048 582831218 /nfs/dbraw/zinc/83/12/18/582831218.db2.gz IAJVDNSSEFHQKH-RXNFCKPNSA-N 1 1 197.322 2.311 10 0 AEAEMO CC/C=C/CC[N@H+]1CCOC[C@@H](C)C1 767330043 582831265 /nfs/dbraw/zinc/83/12/65/582831265.db2.gz IAJVDNSSEFHQKH-ITKZLYELSA-N 1 1 197.322 2.311 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)CCC(=O)C1CC1 767349980 582831297 /nfs/dbraw/zinc/83/12/97/582831297.db2.gz BBMXFFQPIDRIEI-JTQLQIEISA-N 1 1 197.322 2.476 10 0 AEAEMO CC/C=C\CC[N@H+]1CCOCC[C@H]1C 767339124 582831304 /nfs/dbraw/zinc/83/13/04/582831304.db2.gz UDULVFDSCUTIFE-QMAVJUDZSA-N 1 1 197.322 2.454 10 0 AEAEMO CC/C=C/CC[N@H+]1CCOC[C@H](C)C1 767330049 582831385 /nfs/dbraw/zinc/83/13/85/582831385.db2.gz IAJVDNSSEFHQKH-ZYOFXKKJSA-N 1 1 197.322 2.311 10 0 AEAEMO CC/C=C/CC[N@H+]1CCOCC[C@@H]1C 767339123 582831390 /nfs/dbraw/zinc/83/13/90/582831390.db2.gz UDULVFDSCUTIFE-ITKZLYELSA-N 1 1 197.322 2.454 10 0 AEAEMO C[C@H](C1CC1)[N@@H+](C)CCC(=O)C1CC1 767357965 582831417 /nfs/dbraw/zinc/83/14/17/582831417.db2.gz CRXYSVZOUWVZMX-SECBINFHSA-N 1 1 195.306 2.086 10 0 AEAEMO CC/C=C\CC[N@H+]1CCOC[C@H](C)C1 767330047 582831464 /nfs/dbraw/zinc/83/14/64/582831464.db2.gz IAJVDNSSEFHQKH-QMAVJUDZSA-N 1 1 197.322 2.311 10 0 AEAEMO C[C@H]1CC[C@@H](C)[N@H+]1CCC(=O)C1CC1 767413504 582831833 /nfs/dbraw/zinc/83/18/33/582831833.db2.gz BUXQYOXGQCKRIB-AOOOYVTPSA-N 1 1 195.306 2.228 10 0 AEAEMO FCC[N@@H+]1CCC[C@@H]1c1ccncc1 767572885 582832266 /nfs/dbraw/zinc/83/22/66/582832266.db2.gz DYYJULLRSGUQFD-LLVKDONJSA-N 1 1 194.253 2.188 10 0 AEAEMO FCC[N@H+]1CCC[C@@H]1c1ccncc1 767572885 582832268 /nfs/dbraw/zinc/83/22/68/582832268.db2.gz DYYJULLRSGUQFD-LLVKDONJSA-N 1 1 194.253 2.188 10 0 AEAEMO FCC[N@@H+]1CCC[C@H]1c1ccncc1 767572889 582832448 /nfs/dbraw/zinc/83/24/48/582832448.db2.gz DYYJULLRSGUQFD-NSHDSACASA-N 1 1 194.253 2.188 10 0 AEAEMO FCC[N@H+]1CCC[C@H]1c1ccncc1 767572889 582832450 /nfs/dbraw/zinc/83/24/50/582832450.db2.gz DYYJULLRSGUQFD-NSHDSACASA-N 1 1 194.253 2.188 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)Cc1cncnc1 768340038 582834726 /nfs/dbraw/zinc/83/47/26/582834726.db2.gz YZXVKJZUGOWQPA-JTQLQIEISA-N 1 1 193.294 2.097 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)Cc1cncnc1 768340039 582834746 /nfs/dbraw/zinc/83/47/46/582834746.db2.gz YZXVKJZUGOWQPA-SNVBAGLBSA-N 1 1 193.294 2.097 10 0 AEAEMO CCCC[N@@H+](CC)Cc1cncnc1 768145473 582835154 /nfs/dbraw/zinc/83/51/54/582835154.db2.gz ZPAOIZPBVYVBBQ-UHFFFAOYSA-N 1 1 193.294 2.099 10 0 AEAEMO CC1(C)CC[N@H+]1Cc1cccc(O)c1 769445144 582839074 /nfs/dbraw/zinc/83/90/74/582839074.db2.gz DCFCONCGGLFTJR-UHFFFAOYSA-N 1 1 191.274 2.377 10 0 AEAEMO CCC(C)(C)[N@@H+](C)Cc1cncnc1 769379882 582839343 /nfs/dbraw/zinc/83/93/43/582839343.db2.gz BJQXTGMCZYWIRZ-UHFFFAOYSA-N 1 1 193.294 2.097 10 0 AEAEMO Cc1ncccc1C[N@H+]1CCC1(C)C 769446381 582839688 /nfs/dbraw/zinc/83/96/88/582839688.db2.gz NETFCVXOEMCVAK-UHFFFAOYSA-N 1 1 190.290 2.374 10 0 AEAEMO CC1(C)[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]21 769487713 582839962 /nfs/dbraw/zinc/83/99/62/582839962.db2.gz LBQACHPQNPMWHB-PHIMTYICSA-N 1 1 191.274 2.367 10 0 AEAEMO Cc1cnc([C@H](C)[N@@H+]2CC[C@@H]3C[C@@H]32)o1 771457899 582845576 /nfs/dbraw/zinc/84/55/76/582845576.db2.gz PJVVOIFBPCHULS-AEJSXWLSSA-N 1 1 192.262 2.138 10 0 AEAEMO Cc1cnc([C@H](C)[N@H+]2CC[C@@H]3C[C@@H]32)o1 771457899 582845578 /nfs/dbraw/zinc/84/55/78/582845578.db2.gz PJVVOIFBPCHULS-AEJSXWLSSA-N 1 1 192.262 2.138 10 0 AEAEMO Cc1cnc([C@H](C)[N@@H+]2CC[C@H]3C[C@H]32)o1 771457902 582846219 /nfs/dbraw/zinc/84/62/19/582846219.db2.gz PJVVOIFBPCHULS-LPEHRKFASA-N 1 1 192.262 2.138 10 0 AEAEMO Cc1cnc([C@H](C)[N@H+]2CC[C@H]3C[C@H]32)o1 771457902 582846221 /nfs/dbraw/zinc/84/62/21/582846221.db2.gz PJVVOIFBPCHULS-LPEHRKFASA-N 1 1 192.262 2.138 10 0 AEAEMO CC(=O)CC[N@@H+](C1CC1)[C@H](C)C1CC1 771794300 582846875 /nfs/dbraw/zinc/84/68/75/582846875.db2.gz CQTNKGZVUFYTAF-SNVBAGLBSA-N 1 1 195.306 2.228 10 0 AEAEMO CC(=O)CC[N@@H+](C1CC1)[C@@H](C)C1CC1 771794299 582847100 /nfs/dbraw/zinc/84/71/00/582847100.db2.gz CQTNKGZVUFYTAF-JTQLQIEISA-N 1 1 195.306 2.228 10 0 AEAEMO FCC[N@H+](Cc1ccncc1)C1CC1 772241774 582848484 /nfs/dbraw/zinc/84/84/84/582848484.db2.gz HYILYACCCOOBRN-UHFFFAOYSA-N 1 1 194.253 2.016 10 0 AEAEMO FCC[N@@H+](Cc1ccncc1)C1CC1 772241774 582848490 /nfs/dbraw/zinc/84/84/90/582848490.db2.gz HYILYACCCOOBRN-UHFFFAOYSA-N 1 1 194.253 2.016 10 0 AEAEMO C1CCC([N@H+]2CC[C@H]3C[C@H]32)C1 772284412 582848913 /nfs/dbraw/zinc/84/89/13/582848913.db2.gz WORXVFAOZUSQKW-WCBMZHEXSA-N 1 1 151.253 2.023 10 0 AEAEMO CC(=O)CC[N@H+](C1CCCC1)C1CC1 772754288 582850872 /nfs/dbraw/zinc/85/08/72/582850872.db2.gz GUQBJHVYOHPJKP-UHFFFAOYSA-N 1 1 195.306 2.373 10 0 AEAEMO CC(=O)CC[N@H+](C)C(C1CC1)C1CC1 772284374 582849048 /nfs/dbraw/zinc/84/90/48/582849048.db2.gz GGWLAQRYOQQHSX-UHFFFAOYSA-N 1 1 195.306 2.086 10 0 AEAEMO CC(=O)CC[N@H+]1C[C@@H](C)CCC[C@@H]1C 772776887 582850700 /nfs/dbraw/zinc/85/07/00/582850700.db2.gz IPNJDHRPGHFUFM-QWRGUYRKSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(=O)CC[N@H+]1C[C@@H](C)CCC[C@H]1C 772776890 582850736 /nfs/dbraw/zinc/85/07/36/582850736.db2.gz IPNJDHRPGHFUFM-WDEREUQCSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(=O)CC[N@H+]1C[C@H](C)CCC[C@@H]1C 772776886 582850792 /nfs/dbraw/zinc/85/07/92/582850792.db2.gz IPNJDHRPGHFUFM-MNOVXSKESA-N 1 1 197.322 2.476 10 0 AEAEMO CC(=O)CC[N@H+]1C[C@H](C)CCC[C@H]1C 772776882 582850965 /nfs/dbraw/zinc/85/09/65/582850965.db2.gz IPNJDHRPGHFUFM-GHMZBOCLSA-N 1 1 197.322 2.476 10 0 AEAEMO C[C@@H]1CCOCC[N@H+]1[C@H]1C=CCCC1 775572096 582863170 /nfs/dbraw/zinc/86/31/70/582863170.db2.gz NQWIWJSYXBYEFU-NEPJUHHUSA-N 1 1 195.306 2.206 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCCN(C)CC1 775633443 582863233 /nfs/dbraw/zinc/86/32/33/582863233.db2.gz JNSICPZXQIMILK-GFCCVEGCSA-N 1 1 198.354 2.060 10 0 AEAEMO C[C@H]1CCOCC[N@H+]1CC1CCCC1 775566627 582863505 /nfs/dbraw/zinc/86/35/05/582863505.db2.gz PUFLZNWPYXFVAG-NSHDSACASA-N 1 1 197.322 2.287 10 0 AEAEMO C[C@@H]1CCOCC[N@H+]1[C@@H]1C=CCCC1 775572099 582863574 /nfs/dbraw/zinc/86/35/74/582863574.db2.gz NQWIWJSYXBYEFU-VXGBXAGGSA-N 1 1 195.306 2.206 10 0 AEAEMO C[C@H]1CCOCC[N@H+]1[C@H]1C=CCCC1 775572098 582863691 /nfs/dbraw/zinc/86/36/91/582863691.db2.gz NQWIWJSYXBYEFU-RYUDHWBXSA-N 1 1 195.306 2.206 10 0 AEAEMO C[C@H]1CCOCC[N@H+]1[C@@H]1C=CCCC1 775572097 582863698 /nfs/dbraw/zinc/86/36/98/582863698.db2.gz NQWIWJSYXBYEFU-NWDGAFQWSA-N 1 1 195.306 2.206 10 0 AEAEMO C[C@@H]1CCOCC[N@H+]1CC1CCCC1 775566626 582863803 /nfs/dbraw/zinc/86/38/03/582863803.db2.gz PUFLZNWPYXFVAG-LLVKDONJSA-N 1 1 197.322 2.287 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCCN(C)CC1 775633468 582863845 /nfs/dbraw/zinc/86/38/45/582863845.db2.gz JNSICPZXQIMILK-LBPRGKRZSA-N 1 1 198.354 2.060 10 0 AEAEMO C[C@@H](C1CC1)[N@H+]1C[C@@H](C)OC(C)(C)C1 777953994 582868515 /nfs/dbraw/zinc/86/85/15/582868515.db2.gz VJAJIKONZRKHJP-ZJUUUORDSA-N 1 1 197.322 2.284 10 0 AEAEMO CC[C@@H]1C[N@H+]([C@@H](C)C2CC2)C[C@@H](C)O1 777964073 582868626 /nfs/dbraw/zinc/86/86/26/582868626.db2.gz NQXBZVOPGFOJMO-JFGNBEQYSA-N 1 1 197.322 2.284 10 0 AEAEMO C[C@H]1C[N@H+]([C@@H](C)C2CC2)CC(C)(C)O1 777953992 582868705 /nfs/dbraw/zinc/86/87/05/582868705.db2.gz VJAJIKONZRKHJP-UWVGGRQHSA-N 1 1 197.322 2.284 10 0 AEAEMO CC[C@@H]1C[N@H+]([C@H](C)C2CC2)C[C@@H](C)O1 777964063 582868859 /nfs/dbraw/zinc/86/88/59/582868859.db2.gz NQXBZVOPGFOJMO-CKYFFXLPSA-N 1 1 197.322 2.284 10 0 AEAEMO CC[C@@H]1C[N@H+]([C@@H](C)C2CC2)C[C@H](C)O1 777964071 582868977 /nfs/dbraw/zinc/86/89/77/582868977.db2.gz NQXBZVOPGFOJMO-JBLDHEPKSA-N 1 1 197.322 2.284 10 0 AEAEMO CC[C@@H]1C[N@H+]([C@H](C)C2CC2)C[C@H](C)O1 777964067 582868981 /nfs/dbraw/zinc/86/89/81/582868981.db2.gz NQXBZVOPGFOJMO-HOSYDEDBSA-N 1 1 197.322 2.284 10 0 AEAEMO C[C@@H]1C[N@H+]([C@H](C)C2CC2)CC(C)(C)O1 777953991 582869044 /nfs/dbraw/zinc/86/90/44/582869044.db2.gz VJAJIKONZRKHJP-NXEZZACHSA-N 1 1 197.322 2.284 10 0 AEAEMO C[C@H]1C[N@H+]([C@H](C)C2CC2)CC(C)(C)O1 777953993 582869275 /nfs/dbraw/zinc/86/92/75/582869275.db2.gz VJAJIKONZRKHJP-VHSXEESVSA-N 1 1 197.322 2.284 10 0 AEAEMO C[C@@H]1CC[N@H+](Cc2ccoc2)C[C@@H]1F 779148095 582871603 /nfs/dbraw/zinc/87/16/03/582871603.db2.gz GGRJNJBUQYOICD-KOLCDFICSA-N 1 1 197.253 2.460 10 0 AEAEMO C[C@@H]1CC[N@@H+](Cc2ccoc2)C[C@@H]1F 779148095 582871605 /nfs/dbraw/zinc/87/16/05/582871605.db2.gz GGRJNJBUQYOICD-KOLCDFICSA-N 1 1 197.253 2.460 10 0 AEAEMO C[C@H]1CC[N@H+](Cc2ccoc2)C[C@@H]1F 779148101 582871728 /nfs/dbraw/zinc/87/17/28/582871728.db2.gz GGRJNJBUQYOICD-ONGXEEELSA-N 1 1 197.253 2.460 10 0 AEAEMO C[C@H]1CC[N@@H+](Cc2ccoc2)C[C@@H]1F 779148101 582871730 /nfs/dbraw/zinc/87/17/30/582871730.db2.gz GGRJNJBUQYOICD-ONGXEEELSA-N 1 1 197.253 2.460 10 0 AEAEMO C[C@H]1CC[N@H+](Cc2ccoc2)C[C@H]1F 779148093 582871791 /nfs/dbraw/zinc/87/17/91/582871791.db2.gz GGRJNJBUQYOICD-GXSJLCMTSA-N 1 1 197.253 2.460 10 0 AEAEMO C[C@H]1CC[N@@H+](Cc2ccoc2)C[C@H]1F 779148093 582871793 /nfs/dbraw/zinc/87/17/93/582871793.db2.gz GGRJNJBUQYOICD-GXSJLCMTSA-N 1 1 197.253 2.460 10 0 AEAEMO CCC[N@@H+](CC)Cc1ccc(F)nc1 779147853 582871868 /nfs/dbraw/zinc/87/18/68/582871868.db2.gz CPUGQNASZKAQDU-UHFFFAOYSA-N 1 1 196.269 2.453 10 0 AEAEMO C[N@H+](Cc1ccc(F)nc1)CC1CC1 779153299 582871882 /nfs/dbraw/zinc/87/18/82/582871882.db2.gz GHPBIAGIHSHZDD-UHFFFAOYSA-N 1 1 194.253 2.063 10 0 AEAEMO C[C@@H]1CC[N@H+](Cc2ccoc2)C[C@H]1F 779148099 582872083 /nfs/dbraw/zinc/87/20/83/582872083.db2.gz GGRJNJBUQYOICD-MWLCHTKSSA-N 1 1 197.253 2.460 10 0 AEAEMO C[C@@H]1CC[N@@H+](Cc2ccoc2)C[C@H]1F 779148099 582872087 /nfs/dbraw/zinc/87/20/87/582872087.db2.gz GGRJNJBUQYOICD-MWLCHTKSSA-N 1 1 197.253 2.460 10 0 AEAEMO CC[C@@H]1C[C@@H](C[N@@H+](C)C2CC2)CCO1 780754092 582878168 /nfs/dbraw/zinc/87/81/68/582878168.db2.gz MKTAKQXNDOVNQL-CMPLNLGQSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@H]1C[C@@H](C[N@@H+](C)C2CC2)CCO1 780754093 582878485 /nfs/dbraw/zinc/87/84/85/582878485.db2.gz MKTAKQXNDOVNQL-JQWIXIFHSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@H]1C[C@H](C[N@@H+](C)C2CC2)CCO1 780754094 582878603 /nfs/dbraw/zinc/87/86/03/582878603.db2.gz MKTAKQXNDOVNQL-PWSUYJOCSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@@H]1C[C@H](C[N@@H+](C)C2CC2)CCO1 780754095 582878921 /nfs/dbraw/zinc/87/89/21/582878921.db2.gz MKTAKQXNDOVNQL-ZYHUDNBSSA-N 1 1 197.322 2.286 10 0 AEAEMO COC[C@H]1CCC[N@H+]([C@@H](C)C2CC2)C1 782181481 582882282 /nfs/dbraw/zinc/88/22/82/582882282.db2.gz IUSTWGIMTKKYJL-QWRGUYRKSA-N 1 1 197.322 2.143 10 0 AEAEMO CCC[C@H]1C[N@H+]([C@@H](C)C2CC2)CCO1 782182212 582882322 /nfs/dbraw/zinc/88/23/22/582882322.db2.gz VEMDFAABBSCGEG-JQWIXIFHSA-N 1 1 197.322 2.286 10 0 AEAEMO COC[C@@H]1CCC[N@H+]([C@H](C)C2CC2)C1 782181474 582882390 /nfs/dbraw/zinc/88/23/90/582882390.db2.gz IUSTWGIMTKKYJL-GHMZBOCLSA-N 1 1 197.322 2.143 10 0 AEAEMO CCC[C@@H]1C[N@H+]([C@H](C)C2CC2)CCO1 782182215 582882641 /nfs/dbraw/zinc/88/26/41/582882641.db2.gz VEMDFAABBSCGEG-ZYHUDNBSSA-N 1 1 197.322 2.286 10 0 AEAEMO COC[C@@H]1CCC[N@H+]([C@@H](C)C2CC2)C1 782181482 582882661 /nfs/dbraw/zinc/88/26/61/582882661.db2.gz IUSTWGIMTKKYJL-WDEREUQCSA-N 1 1 197.322 2.143 10 0 AEAEMO CCC[C@H]1C[N@H+]([C@H](C)C2CC2)CCO1 782182213 582882697 /nfs/dbraw/zinc/88/26/97/582882697.db2.gz VEMDFAABBSCGEG-PWSUYJOCSA-N 1 1 197.322 2.286 10 0 AEAEMO CCC[C@@H]1C[N@H+]([C@@H](C)C2CC2)CCO1 782182210 582882742 /nfs/dbraw/zinc/88/27/42/582882742.db2.gz VEMDFAABBSCGEG-CMPLNLGQSA-N 1 1 197.322 2.286 10 0 AEAEMO COC[C@H]1CCC[N@H+]([C@H](C)C2CC2)C1 782181479 582882952 /nfs/dbraw/zinc/88/29/52/582882952.db2.gz IUSTWGIMTKKYJL-MNOVXSKESA-N 1 1 197.322 2.143 10 0 AEAEMO COCC1=CC[N@H+]([C@H](C)C2CC2)CC1 782192246 582883303 /nfs/dbraw/zinc/88/33/03/582883303.db2.gz ADXFTCFCCJOOOK-SNVBAGLBSA-N 1 1 195.306 2.063 10 0 AEAEMO COCC1=CC[N@H+]([C@@H](C)C2CC2)CC1 782192244 582883358 /nfs/dbraw/zinc/88/33/58/582883358.db2.gz ADXFTCFCCJOOOK-JTQLQIEISA-N 1 1 195.306 2.063 10 0 AEAEMO CCOC[C@@H]1CC[N@H+]([C@@H](C)C2CC2)C1 782183883 582883608 /nfs/dbraw/zinc/88/36/08/582883608.db2.gz AUCKJECWQBFTPR-WDEREUQCSA-N 1 1 197.322 2.143 10 0 AEAEMO CCOC[C@H]1CC[N@H+]([C@H](C)C2CC2)C1 782183879 582883762 /nfs/dbraw/zinc/88/37/62/582883762.db2.gz AUCKJECWQBFTPR-MNOVXSKESA-N 1 1 197.322 2.143 10 0 AEAEMO CCOC[C@H]1CC[N@H+]([C@@H](C)C2CC2)C1 782183881 582883772 /nfs/dbraw/zinc/88/37/72/582883772.db2.gz AUCKJECWQBFTPR-QWRGUYRKSA-N 1 1 197.322 2.143 10 0 AEAEMO CCOC[C@@H]1CC[N@H+]([C@H](C)C2CC2)C1 782183878 582883846 /nfs/dbraw/zinc/88/38/46/582883846.db2.gz AUCKJECWQBFTPR-GHMZBOCLSA-N 1 1 197.322 2.143 10 0 AEAEMO Cc1oncc1C[N@H+]1CCCC1(C)C 782488150 582884476 /nfs/dbraw/zinc/88/44/76/582884476.db2.gz ZAIUOBXZZIJKBF-UHFFFAOYSA-N 1 1 194.278 2.357 10 0 AEAEMO CCCCCC[N@@H+](C)CC1(CO)CC1 782598513 582885380 /nfs/dbraw/zinc/88/53/80/582885380.db2.gz HNFZVJKRDPZPKR-UHFFFAOYSA-N 1 1 199.338 2.271 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)CC1(CO)CC1 783733212 582888692 /nfs/dbraw/zinc/88/86/92/582888692.db2.gz KXXPUNXXSYATQV-LLVKDONJSA-N 1 1 199.338 2.127 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)CC1(CO)CC1 783733213 582888697 /nfs/dbraw/zinc/88/86/97/582888697.db2.gz KXXPUNXXSYATQV-NSHDSACASA-N 1 1 199.338 2.127 10 0 AEAEMO Cc1nc(F)ccc1C[N@H+](C)C(C)C 787048461 582897639 /nfs/dbraw/zinc/89/76/39/582897639.db2.gz FZQBIQVVWMSJLZ-UHFFFAOYSA-N 1 1 196.269 2.369 10 0 AEAEMO Cc1nc(F)ccc1C[N@H+](C)C1CC1 787084368 582898198 /nfs/dbraw/zinc/89/81/98/582898198.db2.gz PIVSMYBHNFWECS-UHFFFAOYSA-N 1 1 194.253 2.123 10 0 AEAEMO CCC[N@@H+](C)Cc1ccc(F)nc1C 787078882 582898380 /nfs/dbraw/zinc/89/83/80/582898380.db2.gz GRNFEWVZKAOJMA-UHFFFAOYSA-N 1 1 196.269 2.371 10 0 AEAEMO C[N@H+](Cc1ccc(F)cn1)CC1CC1 787172621 582899385 /nfs/dbraw/zinc/89/93/85/582899385.db2.gz YBMLNLYMPKMLDS-UHFFFAOYSA-N 1 1 194.253 2.063 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1CCCCCCCO 791574473 582913868 /nfs/dbraw/zinc/91/38/68/582913868.db2.gz PCHZNCMHEFSLRF-TXEJJXNPSA-N 1 1 199.338 2.412 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1CC1(O)CCCCC1 791569026 582913948 /nfs/dbraw/zinc/91/39/48/582913948.db2.gz ZSASNFJYIOLSQD-PHIMTYICSA-N 1 1 197.322 2.164 10 0 AEAEMO COC1(C[N@H+]2CCC2(C)C)CCCC1 792164721 582915461 /nfs/dbraw/zinc/91/54/61/582915461.db2.gz CLGWGKRRXZCTEY-UHFFFAOYSA-N 1 1 197.322 2.430 10 0 AEAEMO CC[N@@H+](Cc1ccnc(C)n1)C(C)C 796453293 582924622 /nfs/dbraw/zinc/92/46/22/582924622.db2.gz GCUYIHSOBMQJML-UHFFFAOYSA-N 1 1 193.294 2.015 10 0 AEAEMO CC(=O)CC[N@@H+](CC1CC1)C1CCC1 796576262 582924743 /nfs/dbraw/zinc/92/47/43/582924743.db2.gz ASUDXJFMHKCZKZ-UHFFFAOYSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(=O)CC[N@H+](C)[C@H]1CCC(C)(C)C1 796526011 582924891 /nfs/dbraw/zinc/92/48/91/582924891.db2.gz PNVFYXHHDKASIA-NSHDSACASA-N 1 1 197.322 2.476 10 0 AEAEMO CC(=O)CC[N@H+](C)[C@@H]1CCC(C)(C)C1 796526009 582925731 /nfs/dbraw/zinc/92/57/31/582925731.db2.gz PNVFYXHHDKASIA-LLVKDONJSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(=O)CC[N@@H+]1CC(C)=C[C@H](C)C1 797526591 582928039 /nfs/dbraw/zinc/92/80/39/582928039.db2.gz VOWLSLKGFIZZDP-JTQLQIEISA-N 1 1 195.306 2.254 10 0 AEAEMO CCC(=O)CC[N@@H+]1CC(C)=C[C@@H](C)C1 797526592 582928542 /nfs/dbraw/zinc/92/85/42/582928542.db2.gz VOWLSLKGFIZZDP-SNVBAGLBSA-N 1 1 195.306 2.254 10 0 AEAEMO CC1=CCC[N@@H+](C[C@H]2CCC=CO2)C1 798089961 582930058 /nfs/dbraw/zinc/93/00/58/582930058.db2.gz CDECVEZVFJOIHW-GFCCVEGCSA-N 1 1 193.290 2.331 10 0 AEAEMO CC1=CCC[N@@H+](C[C@@H]2CCC=CO2)C1 798089962 582930087 /nfs/dbraw/zinc/93/00/87/582930087.db2.gz CDECVEZVFJOIHW-LBPRGKRZSA-N 1 1 193.290 2.331 10 0 AEAEMO CC[N@@H+](CCOCC(C)C)C(C)C 800332877 582933893 /nfs/dbraw/zinc/93/38/93/582933893.db2.gz HJNAGBNBSYIUCN-UHFFFAOYSA-N 1 1 187.327 2.389 10 0 AEAEMO CC(C)C(=O)CC[N@H+]1CC[C@H](C)[C@H]1C 808732119 582936694 /nfs/dbraw/zinc/93/66/94/582936694.db2.gz BJWLORUGAOJDNV-WDEREUQCSA-N 1 1 197.322 2.332 10 0 AEAEMO CC(C)SCC[N@H+]1CC[C@H]2C[C@H]21 801525825 582936748 /nfs/dbraw/zinc/93/67/48/582936748.db2.gz OPZSPLCGFNAEDU-VHSXEESVSA-N 1 1 185.336 2.222 10 0 AEAEMO CC(C)C(=O)CC[N@H+]1CC[C@@H](C)[C@@H]1C 808732117 582936848 /nfs/dbraw/zinc/93/68/48/582936848.db2.gz BJWLORUGAOJDNV-MNOVXSKESA-N 1 1 197.322 2.332 10 0 AEAEMO CC(C)C(=O)CC[N@H+]1CC[C@@H](C)[C@H]1C 808732116 582937137 /nfs/dbraw/zinc/93/71/37/582937137.db2.gz BJWLORUGAOJDNV-GHMZBOCLSA-N 1 1 197.322 2.332 10 0 AEAEMO CC(C)SCC[N@H+]1CC[C@@H]2C[C@@H]21 801525826 582937144 /nfs/dbraw/zinc/93/71/44/582937144.db2.gz OPZSPLCGFNAEDU-ZJUUUORDSA-N 1 1 185.336 2.222 10 0 AEAEMO CC(C)C(=O)CC[N@H+]1CC[C@H](C)[C@@H]1C 808732118 582937243 /nfs/dbraw/zinc/93/72/43/582937243.db2.gz BJWLORUGAOJDNV-QWRGUYRKSA-N 1 1 197.322 2.332 10 0 AEAEMO CC[N@H+]1CCC[C@@H](C2=CCOCC2)C1 757569582 582958205 /nfs/dbraw/zinc/95/82/05/582958205.db2.gz XSPXYNYRAZXBOE-GFCCVEGCSA-N 1 1 195.306 2.065 10 0 AEAEMO CC[N@H+]1CCC[C@H](C2=CCOCC2)C1 757569585 582958386 /nfs/dbraw/zinc/95/83/86/582958386.db2.gz XSPXYNYRAZXBOE-LBPRGKRZSA-N 1 1 195.306 2.065 10 0 AEAEMO CC[C@H]1CC[N@@H+](CCC(=O)C(C)C)C1 808731717 582958882 /nfs/dbraw/zinc/95/88/82/582958882.db2.gz DPDHZXPXQNZYBV-NSHDSACASA-N 1 1 197.322 2.334 10 0 AEAEMO CC(C)C(=O)CC[N@H+]1CCCC1(C)C 808717947 582958912 /nfs/dbraw/zinc/95/89/12/582958912.db2.gz NPUBJAGLTCFOLI-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@@H]1CC[N@@H+](CCC(=O)C(C)C)C1 808731716 582959150 /nfs/dbraw/zinc/95/91/50/582959150.db2.gz DPDHZXPXQNZYBV-LLVKDONJSA-N 1 1 197.322 2.334 10 0 AEAEMO CC[N@@H+](CCC(=O)C(C)C)CC1CC1 808726469 582959263 /nfs/dbraw/zinc/95/92/63/582959263.db2.gz CYICUQJHYDSHCV-UHFFFAOYSA-N 1 1 197.322 2.334 10 0 AEAEMO CC(C)C(=O)CC[N@@H+](C)C1CCCC1 808706339 582959273 /nfs/dbraw/zinc/95/92/73/582959273.db2.gz HHNQKLCFTQGUBQ-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(C)C(=O)CC[N@H+]1C[C@@H](C)C[C@H]1C 808727902 582959423 /nfs/dbraw/zinc/95/94/23/582959423.db2.gz AWBPZFSLEPYZHO-WDEREUQCSA-N 1 1 197.322 2.332 10 0 AEAEMO CC(C)C(=O)CC[N@H+]1C[C@H](C)C[C@H]1C 808727893 582959428 /nfs/dbraw/zinc/95/94/28/582959428.db2.gz AWBPZFSLEPYZHO-GHMZBOCLSA-N 1 1 197.322 2.332 10 0 AEAEMO CC(C)C(=O)CC[N@H+]1C[C@@H](C)C[C@@H]1C 808727899 582959478 /nfs/dbraw/zinc/95/94/78/582959478.db2.gz AWBPZFSLEPYZHO-QWRGUYRKSA-N 1 1 197.322 2.332 10 0 AEAEMO CC(C)C(=O)CC[N@H+]1C[C@H](C)C[C@@H]1C 808727896 582959481 /nfs/dbraw/zinc/95/94/81/582959481.db2.gz AWBPZFSLEPYZHO-MNOVXSKESA-N 1 1 197.322 2.332 10 0 AEAEMO CC(C)C(=O)CC[N@@H+](C)CCC1CC1 808739674 582959851 /nfs/dbraw/zinc/95/98/51/582959851.db2.gz ACYOZOAZQWUQHW-UHFFFAOYSA-N 1 1 197.322 2.334 10 0 AEAEMO CC(=O)CC[N@H+]1CCC[C@@H](C2CC2)C1 808778419 582959949 /nfs/dbraw/zinc/95/99/49/582959949.db2.gz WXDMYJHRTBSGGS-GFCCVEGCSA-N 1 1 195.306 2.088 10 0 AEAEMO CC(=O)CC[N@H+]1CCC[C@H](C2CC2)C1 808778420 582960051 /nfs/dbraw/zinc/96/00/51/582960051.db2.gz WXDMYJHRTBSGGS-LBPRGKRZSA-N 1 1 195.306 2.088 10 0 AEAEMO CC[N@@H+](C)CCCc1cnccc1C 809543582 582961543 /nfs/dbraw/zinc/96/15/43/582961543.db2.gz RVOMVJIBVYYWNI-UHFFFAOYSA-N 1 1 192.306 2.274 10 0 AEAEMO Cc1nc(C)c(C[N@H+]2CCC2(C)C)o1 809963710 582963515 /nfs/dbraw/zinc/96/35/15/582963515.db2.gz YHAZLIOTWCMOTD-UHFFFAOYSA-N 1 1 194.278 2.276 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)Cc1ncc[nH]1 813328674 582974438 /nfs/dbraw/zinc/97/44/38/582974438.db2.gz SVMVKZDFMYDBRZ-SNVBAGLBSA-N 1 1 195.310 2.278 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)Cc1ncc[nH]1 813328673 582974617 /nfs/dbraw/zinc/97/46/17/582974617.db2.gz SVMVKZDFMYDBRZ-JTQLQIEISA-N 1 1 195.310 2.278 10 0 AEAEMO COCC(C)(C)[N@@H+](C)Cc1ccoc1 814178178 582976243 /nfs/dbraw/zinc/97/62/43/582976243.db2.gz FTLKRNZUJUGULT-UHFFFAOYSA-N 1 1 197.278 2.136 10 0 AEAEMO COC1(CC[N@H+]2CC[C@@H]3C[C@@H]32)CCC1 815079033 582982765 /nfs/dbraw/zinc/98/27/65/582982765.db2.gz LDIQUZYPOVUWNS-MNOVXSKESA-N 1 1 195.306 2.040 10 0 AEAEMO COC1(CC[N@H+]2CC[C@H]3C[C@H]32)CCC1 815079035 582982316 /nfs/dbraw/zinc/98/23/16/582982316.db2.gz LDIQUZYPOVUWNS-WDEREUQCSA-N 1 1 195.306 2.040 10 0 AEAEMO CCc1nocc1C[N@H+]1CCC1(C)C 816513127 582985958 /nfs/dbraw/zinc/98/59/58/582985958.db2.gz HOGFNQJPCDXXFA-UHFFFAOYSA-N 1 1 194.278 2.221 10 0 AEAEMO C[C@H]1C[N@@H+](CC2(C)CC2)[C@@H]1C 816646330 582986681 /nfs/dbraw/zinc/98/66/81/582986681.db2.gz BZEBZZMOLNVSPN-DTWKUNHWSA-N 1 1 153.269 2.127 10 0 AEAEMO C[C@H]1C[N@@H+](CC2(C)CC2)[C@H]1C 816646331 582986686 /nfs/dbraw/zinc/98/66/86/582986686.db2.gz BZEBZZMOLNVSPN-IUCAKERBSA-N 1 1 153.269 2.127 10 0 AEAEMO Cc1ccc(C[N@@H+]2C[C@H](C)[C@H]2C)o1 816646765 582986693 /nfs/dbraw/zinc/98/66/93/582986693.db2.gz ITEFAWUIEPMDIO-WCBMZHEXSA-N 1 1 179.263 2.428 10 0 AEAEMO C[C@@H]1C[N@@H+](Cc2ccoc2)[C@@H]1C 816649419 582986709 /nfs/dbraw/zinc/98/67/09/582986709.db2.gz YWGNFAGVAUSBOX-RKDXNWHRSA-N 1 1 165.236 2.120 10 0 AEAEMO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]2C)o1 816646764 582986743 /nfs/dbraw/zinc/98/67/43/582986743.db2.gz ITEFAWUIEPMDIO-SCZZXKLOSA-N 1 1 179.263 2.428 10 0 AEAEMO COC1(C[N@H+]2C[C@H](C)[C@H]2C)CCCC1 816647111 582986824 /nfs/dbraw/zinc/98/68/24/582986824.db2.gz NNJAEOHZWJUXNU-WDEREUQCSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@H]1C[N@@H+](Cc2ccco2)[C@H]1C 816646427 582986954 /nfs/dbraw/zinc/98/69/54/582986954.db2.gz DEHZWGVZVPFAKA-IUCAKERBSA-N 1 1 165.236 2.120 10 0 AEAEMO C[C@@H]1C[N@@H+](Cc2ccco2)[C@@H]1C 816646428 582987059 /nfs/dbraw/zinc/98/70/59/582987059.db2.gz DEHZWGVZVPFAKA-RKDXNWHRSA-N 1 1 165.236 2.120 10 0 AEAEMO C[C@H]1C[N@@H+](Cc2ccco2)[C@@H]1C 816646426 582987110 /nfs/dbraw/zinc/98/71/10/582987110.db2.gz DEHZWGVZVPFAKA-DTWKUNHWSA-N 1 1 165.236 2.120 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1Cc1ccco1 816646425 582987462 /nfs/dbraw/zinc/98/74/62/582987462.db2.gz DEHZWGVZVPFAKA-BDAKNGLRSA-N 1 1 165.236 2.120 10 0 AEAEMO C[C@@H]1C[N@@H+](CC2(C)CC2)[C@@H]1C 816646332 582987483 /nfs/dbraw/zinc/98/74/83/582987483.db2.gz BZEBZZMOLNVSPN-RKDXNWHRSA-N 1 1 153.269 2.127 10 0 AEAEMO COC1(C[N@H+]2C[C@H](C)[C@@H]2C)CCCC1 816647110 582987488 /nfs/dbraw/zinc/98/74/88/582987488.db2.gz NNJAEOHZWJUXNU-QWRGUYRKSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1CC1(C)CC1 816646329 582987500 /nfs/dbraw/zinc/98/75/00/582987500.db2.gz BZEBZZMOLNVSPN-BDAKNGLRSA-N 1 1 153.269 2.127 10 0 AEAEMO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H]2C)o1 816646763 582987518 /nfs/dbraw/zinc/98/75/18/582987518.db2.gz ITEFAWUIEPMDIO-PSASIEDQSA-N 1 1 179.263 2.428 10 0 AEAEMO Cc1ccc(C[N@@H+]2C[C@H](C)[C@@H]2C)o1 816646766 582987686 /nfs/dbraw/zinc/98/76/86/582987686.db2.gz ITEFAWUIEPMDIO-WPRPVWTQSA-N 1 1 179.263 2.428 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1C[C@H]1CCC=CO1 816649107 582987908 /nfs/dbraw/zinc/98/79/08/582987908.db2.gz UBZVNTSWFXGCPL-OUAUKWLOSA-N 1 1 181.279 2.019 10 0 AEAEMO CSC1(C[N@H+]2C[C@@H](C)[C@@H]2C)CC1 816649209 582988030 /nfs/dbraw/zinc/98/80/30/582988030.db2.gz VWDSATICURRGBS-BDAKNGLRSA-N 1 1 185.336 2.222 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1C[C@@H]1CCSC1 816648651 582988051 /nfs/dbraw/zinc/98/80/51/582988051.db2.gz MZUHLWPAEQJAOT-UTLUCORTSA-N 1 1 185.336 2.080 10 0 AEAEMO Cc1ccoc1C[N@@H+]1C[C@H](C)[C@@H]1C 816648826 582988089 /nfs/dbraw/zinc/98/80/89/582988089.db2.gz PQSLSFWBJGKEFU-UWVGGRQHSA-N 1 1 179.263 2.428 10 0 AEAEMO C[C@H]1C[N@@H+](Cc2cccc(O)c2)[C@@H]1C 816649016 582988127 /nfs/dbraw/zinc/98/81/27/582988127.db2.gz RXHDFHAATYNNNI-VHSXEESVSA-N 1 1 191.274 2.232 10 0 AEAEMO COC1(C[N@H+]2C[C@@H](C)[C@@H]2C)CCCC1 816647109 582988140 /nfs/dbraw/zinc/98/81/40/582988140.db2.gz NNJAEOHZWJUXNU-MNOVXSKESA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1C[C@H]1CCSC1 816648649 582988169 /nfs/dbraw/zinc/98/81/69/582988169.db2.gz MZUHLWPAEQJAOT-KXUCPTDWSA-N 1 1 185.336 2.080 10 0 AEAEMO C[C@@H]1C[N@@H+](C[C@@H]2CCC=CO2)[C@@H]1C 816649106 582988183 /nfs/dbraw/zinc/98/81/83/582988183.db2.gz UBZVNTSWFXGCPL-MXWKQRLJSA-N 1 1 181.279 2.019 10 0 AEAEMO CSC1(C[N@H+]2C[C@H](C)[C@H]2C)CC1 816649210 582988226 /nfs/dbraw/zinc/98/82/26/582988226.db2.gz VWDSATICURRGBS-DTWKUNHWSA-N 1 1 185.336 2.222 10 0 AEAEMO CCC[C@H](C)C[N@@H+](CC)[C@@H](C)CO 816654126 582988296 /nfs/dbraw/zinc/98/82/96/582988296.db2.gz VCGHEDFILJRQER-QWRGUYRKSA-N 1 1 187.327 2.125 10 0 AEAEMO COC1(C[N@H+]2C[C@@H](C)[C@H]2C)CCCC1 816647108 582988217 /nfs/dbraw/zinc/98/82/17/582988217.db2.gz NNJAEOHZWJUXNU-GHMZBOCLSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@H]1C[N@@H+](Cc2ccoc2)[C@H]1C 816649418 582988364 /nfs/dbraw/zinc/98/83/64/582988364.db2.gz YWGNFAGVAUSBOX-IUCAKERBSA-N 1 1 165.236 2.120 10 0 AEAEMO Cc1ccoc1C[N@@H+]1C[C@H](C)[C@H]1C 816648827 582988396 /nfs/dbraw/zinc/98/83/96/582988396.db2.gz PQSLSFWBJGKEFU-VHSXEESVSA-N 1 1 179.263 2.428 10 0 AEAEMO C[C@@H]1C[N@@H+](C[C@H]2CCSC2)[C@@H]1C 816648650 582988402 /nfs/dbraw/zinc/98/84/02/582988402.db2.gz MZUHLWPAEQJAOT-OPRDCNLKSA-N 1 1 185.336 2.080 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1Cc1ccoc1 816649416 582988423 /nfs/dbraw/zinc/98/84/23/582988423.db2.gz YWGNFAGVAUSBOX-BDAKNGLRSA-N 1 1 165.236 2.120 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](CC)[C@@H](C)CO 816654125 582988431 /nfs/dbraw/zinc/98/84/31/582988431.db2.gz VCGHEDFILJRQER-MNOVXSKESA-N 1 1 187.327 2.125 10 0 AEAEMO CSC1(C[N@H+]2C[C@H](C)[C@@H]2C)CC1 816649211 582988445 /nfs/dbraw/zinc/98/84/45/582988445.db2.gz VWDSATICURRGBS-IUCAKERBSA-N 1 1 185.336 2.222 10 0 AEAEMO C[C@@H]1C[N@@H+](C[C@H]2CCC=CO2)[C@@H]1C 816649105 582988449 /nfs/dbraw/zinc/98/84/49/582988449.db2.gz UBZVNTSWFXGCPL-GMTAPVOTSA-N 1 1 181.279 2.019 10 0 AEAEMO C[C@H]1C[N@@H+](Cc2cccc(O)c2)[C@H]1C 816649015 582988536 /nfs/dbraw/zinc/98/85/36/582988536.db2.gz RXHDFHAATYNNNI-UWVGGRQHSA-N 1 1 191.274 2.232 10 0 AEAEMO Cc1ccoc1C[N@@H+]1C[C@@H](C)[C@@H]1C 816648828 582988545 /nfs/dbraw/zinc/98/85/45/582988545.db2.gz PQSLSFWBJGKEFU-ZJUUUORDSA-N 1 1 179.263 2.428 10 0 AEAEMO Cc1ccoc1C[N@@H+]1C[C@@H](C)[C@H]1C 816648825 582988579 /nfs/dbraw/zinc/98/85/79/582988579.db2.gz PQSLSFWBJGKEFU-NXEZZACHSA-N 1 1 179.263 2.428 10 0 AEAEMO CSC1(C[N@H+]2C[C@@H](C)[C@H]2C)CC1 816649212 582988698 /nfs/dbraw/zinc/98/86/98/582988698.db2.gz VWDSATICURRGBS-RKDXNWHRSA-N 1 1 185.336 2.222 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1Cc1cccc(O)c1 816649017 582988763 /nfs/dbraw/zinc/98/87/63/582988763.db2.gz RXHDFHAATYNNNI-ZJUUUORDSA-N 1 1 191.274 2.232 10 0 AEAEMO C[C@@H]1C[N@@H+](Cc2cccc(O)c2)[C@@H]1C 816649014 582988776 /nfs/dbraw/zinc/98/87/76/582988776.db2.gz RXHDFHAATYNNNI-NXEZZACHSA-N 1 1 191.274 2.232 10 0 AEAEMO C[C@@H]1C[N@@H+](C[C@@H]2CCSC2)[C@@H]1C 816648648 582988792 /nfs/dbraw/zinc/98/87/92/582988792.db2.gz MZUHLWPAEQJAOT-BBBLOLIVSA-N 1 1 185.336 2.080 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1C[C@@H]1CCC=CO1 816649108 582988795 /nfs/dbraw/zinc/98/87/95/582988795.db2.gz UBZVNTSWFXGCPL-VWYCJHECSA-N 1 1 181.279 2.019 10 0 AEAEMO C[C@H]1C[N@@H+](Cc2ccoc2)[C@@H]1C 816649417 582988819 /nfs/dbraw/zinc/98/88/19/582988819.db2.gz YWGNFAGVAUSBOX-DTWKUNHWSA-N 1 1 165.236 2.120 10 0 AEAEMO CCCCCC[NH2+][C@H]1CCC[C@H]1N 817892983 582998596 /nfs/dbraw/zinc/99/85/96/582998596.db2.gz ARIWJFACPPKXMN-MNOVXSKESA-N 1 1 184.327 2.036 10 0 AEAEMO C[C@H](C[NH2+][C@H]1CCC[C@@H]1N)C(C)(C)C 817893449 582998610 /nfs/dbraw/zinc/99/86/10/582998610.db2.gz DYIWSPIGNGETOP-VWYCJHECSA-N 1 1 198.354 2.138 10 0 AEAEMO CCCCCC[NH2+][C@@H]1CCC[C@H]1N 817892980 582998815 /nfs/dbraw/zinc/99/88/15/582998815.db2.gz ARIWJFACPPKXMN-GHMZBOCLSA-N 1 1 184.327 2.036 10 0 AEAEMO CCCCCC[NH2+][C@H]1CCC[C@@H]1N 817892985 582998924 /nfs/dbraw/zinc/99/89/24/582998924.db2.gz ARIWJFACPPKXMN-QWRGUYRKSA-N 1 1 184.327 2.036 10 0 AEAEMO CCCCCC[NH2+][C@@H]1CCC[C@@H]1N 817892987 582999056 /nfs/dbraw/zinc/99/90/56/582999056.db2.gz ARIWJFACPPKXMN-WDEREUQCSA-N 1 1 184.327 2.036 10 0 AEAEMO C[C@H](C[NH2+][C@H]1CCC[C@H]1N)C(C)(C)C 817893446 582999092 /nfs/dbraw/zinc/99/90/92/582999092.db2.gz DYIWSPIGNGETOP-MXWKQRLJSA-N 1 1 198.354 2.138 10 0 AEAEMO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1N)C(C)(C)C 817893448 582999150 /nfs/dbraw/zinc/99/91/50/582999150.db2.gz DYIWSPIGNGETOP-OUAUKWLOSA-N 1 1 198.354 2.138 10 0 AEAEMO C[C@H](C[NH2+][C@@H]1CCC[C@H]1N)C(C)(C)C 817893439 582999314 /nfs/dbraw/zinc/99/93/14/582999314.db2.gz DYIWSPIGNGETOP-GMTAPVOTSA-N 1 1 198.354 2.138 10 0 AEAEMO CCN[C@H](C)C[NH2+][C@@H]1CC[C@H]1C(C)C 817973572 583001050 /nfs/dbraw/zinc/00/10/50/583001050.db2.gz VHUYBTQBVLNRSQ-GRYCIOLGSA-N 1 1 198.354 2.009 10 0 AEAEMO CCN[C@H](C)C[NH2+][C@@H]1CC[C@@H]1C(C)C 817973574 583001098 /nfs/dbraw/zinc/00/10/98/583001098.db2.gz VHUYBTQBVLNRSQ-IJLUTSLNSA-N 1 1 198.354 2.009 10 0 AEAEMO CCN[C@H](C)C[NH2+][C@H]1CC[C@@H]1C(C)C 817973575 583001735 /nfs/dbraw/zinc/00/17/35/583001735.db2.gz VHUYBTQBVLNRSQ-UTUOFQBUSA-N 1 1 198.354 2.009 10 0 AEAEMO CCN[C@H](C)C[NH2+][C@H]1CC[C@H]1C(C)C 817973577 583001796 /nfs/dbraw/zinc/00/17/96/583001796.db2.gz VHUYBTQBVLNRSQ-WOPDTQHZSA-N 1 1 198.354 2.009 10 0 AEAEMO CO[C@@H]1CC[C@H]([N@@H+]2CC=C(C)CC2)C1 821396160 583029193 /nfs/dbraw/zinc/02/91/93/583029193.db2.gz GZCRHAHJXOVTAT-NWDGAFQWSA-N 1 1 195.306 2.206 10 0 AEAEMO CO[C@H]1CC[C@@H]([N@@H+]2CC=C(C)CC2)C1 821396159 583029429 /nfs/dbraw/zinc/02/94/29/583029429.db2.gz GZCRHAHJXOVTAT-NEPJUHHUSA-N 1 1 195.306 2.206 10 0 AEAEMO CO[C@H]1CC[C@H]([N@@H+]2CC=C(C)CC2)C1 821396161 583029503 /nfs/dbraw/zinc/02/95/03/583029503.db2.gz GZCRHAHJXOVTAT-RYUDHWBXSA-N 1 1 195.306 2.206 10 0 AEAEMO CO[C@@H]1CC[C@@H]([N@@H+]2CC=C(C)CC2)C1 821396162 583030595 /nfs/dbraw/zinc/03/05/95/583030595.db2.gz GZCRHAHJXOVTAT-VXGBXAGGSA-N 1 1 195.306 2.206 10 0 AEAEMO CC1(C)CC[N@@H+]1Cc1ccncc1F 823452918 583041138 /nfs/dbraw/zinc/04/11/38/583041138.db2.gz GOJUZSPSOKBMKE-UHFFFAOYSA-N 1 1 194.253 2.205 10 0 AEAEMO CC1(C)CC[N@H+]1Cc1ccncc1F 823452918 583041139 /nfs/dbraw/zinc/04/11/39/583041139.db2.gz GOJUZSPSOKBMKE-UHFFFAOYSA-N 1 1 194.253 2.205 10 0 AEAEMO Cc1cnccc1C[N@H+]1CCC1(C)C 823453729 583041728 /nfs/dbraw/zinc/04/17/28/583041728.db2.gz YNLGZVOWVMNCIF-UHFFFAOYSA-N 1 1 190.290 2.374 10 0 AEAEMO C1=CO[C@H](C[N@H+]2CC[C@@H]2C2CC2)CC1 824649007 583045413 /nfs/dbraw/zinc/04/54/13/583045413.db2.gz AMPRGJLBPSEHEG-NWDGAFQWSA-N 1 1 193.290 2.163 10 0 AEAEMO C1=CO[C@@H](C[N@H+]2CC[C@@H]2C2CC2)CC1 824649010 583045421 /nfs/dbraw/zinc/04/54/21/583045421.db2.gz AMPRGJLBPSEHEG-VXGBXAGGSA-N 1 1 193.290 2.163 10 0 AEAEMO CS[C@@H]1CC[N@@H+](Cc2ccoc2)C1 824683311 583045630 /nfs/dbraw/zinc/04/56/30/583045630.db2.gz DOCFXMVXTQJQGK-SNVBAGLBSA-N 1 1 197.303 2.217 10 0 AEAEMO C1=CO[C@@H](C[N@H+]2CC[C@H]2C2CC2)CC1 824649005 583045708 /nfs/dbraw/zinc/04/57/08/583045708.db2.gz AMPRGJLBPSEHEG-NEPJUHHUSA-N 1 1 193.290 2.163 10 0 AEAEMO FCC(CF)[NH2+]CCc1ccccc1 824555721 583045715 /nfs/dbraw/zinc/04/57/15/583045715.db2.gz XJLPLFSQMCWWBH-UHFFFAOYSA-N 1 1 199.244 2.126 10 0 AEAEMO CS[C@H]1CC[N@@H+](Cc2ccoc2)C1 824683310 583045739 /nfs/dbraw/zinc/04/57/39/583045739.db2.gz DOCFXMVXTQJQGK-JTQLQIEISA-N 1 1 197.303 2.217 10 0 AEAEMO c1cc(C[N@H+]2CC[C@@H]2C2CC2)co1 824650099 583045793 /nfs/dbraw/zinc/04/57/93/583045793.db2.gz IFUDSHXJBDKOHT-LLVKDONJSA-N 1 1 177.247 2.264 10 0 AEAEMO C1=CO[C@H](C[N@H+]2CC[C@H]2C2CC2)CC1 824649008 583045823 /nfs/dbraw/zinc/04/58/23/583045823.db2.gz AMPRGJLBPSEHEG-RYUDHWBXSA-N 1 1 193.290 2.163 10 0 AEAEMO Cc1cc(C[N@@H+]2CC[C@@H](F)C2)c(C)o1 824570278 583045898 /nfs/dbraw/zinc/04/58/98/583045898.db2.gz AQGLJZYQIAUNQF-LLVKDONJSA-N 1 1 197.253 2.440 10 0 AEAEMO Cc1cc(C[N@H+]2CC[C@@H](F)C2)c(C)o1 824570278 583045900 /nfs/dbraw/zinc/04/59/00/583045900.db2.gz AQGLJZYQIAUNQF-LLVKDONJSA-N 1 1 197.253 2.440 10 0 AEAEMO c1cc(C[N@H+]2CC[C@H]2C2CC2)co1 824650100 583046007 /nfs/dbraw/zinc/04/60/07/583046007.db2.gz IFUDSHXJBDKOHT-NSHDSACASA-N 1 1 177.247 2.264 10 0 AEAEMO c1cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)co1 827506932 583055067 /nfs/dbraw/zinc/05/50/67/583055067.db2.gz OSZTWNCVZLQDQH-GHMZBOCLSA-N 1 1 177.247 2.121 10 0 AEAEMO c1cc(C[N@H+]2CC[C@H]3C[C@H]3C2)co1 827506934 583055620 /nfs/dbraw/zinc/05/56/20/583055620.db2.gz OSZTWNCVZLQDQH-QWRGUYRKSA-N 1 1 177.247 2.121 10 0 AEAEMO CC(C)CC(=O)CC[N@@H+]1CC=CCC1 828198968 583056751 /nfs/dbraw/zinc/05/67/51/583056751.db2.gz RBGRSTAOWGMERK-UHFFFAOYSA-N 1 1 195.306 2.254 10 0 AEAEMO C1=C(C[N@H+]2CC[C@H]3C[C@H]32)CCC1 828103756 583057043 /nfs/dbraw/zinc/05/70/43/583057043.db2.gz YLHREJIXLJENJH-WDEREUQCSA-N 1 1 163.264 2.191 10 0 AEAEMO C1=C(C[N@H+]2CC[C@@H]3C[C@@H]32)CCC1 828103754 583057109 /nfs/dbraw/zinc/05/71/09/583057109.db2.gz YLHREJIXLJENJH-MNOVXSKESA-N 1 1 163.264 2.191 10 0 AEAEMO FC1(F)CC(C[N@H+]2CC[C@H]3C[C@H]32)C1 828533603 583059652 /nfs/dbraw/zinc/05/96/52/583059652.db2.gz FEEZYDDGDXCTRX-DTWKUNHWSA-N 1 1 187.233 2.126 10 0 AEAEMO FC1(F)CC(C[N@H+]2CC[C@@H]3C[C@@H]32)C1 828533602 583060395 /nfs/dbraw/zinc/06/03/95/583060395.db2.gz FEEZYDDGDXCTRX-BDAKNGLRSA-N 1 1 187.233 2.126 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@@H+](CCF)C1 832468172 583078667 /nfs/dbraw/zinc/07/86/67/583078667.db2.gz FWJBQEXCORPJEQ-VHSXEESVSA-N 1 1 173.275 2.466 10 0 AEAEMO CCC(=O)CC[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C 842161435 583121552 /nfs/dbraw/zinc/12/15/52/583121552.db2.gz DEGHOFXGCXVXIH-AXFHLTTASA-N 1 1 197.322 2.332 10 0 AEAEMO CCC(=O)CC[N@H+]1C[C@H](C)[C@H](C)[C@H]1C 842161438 583121667 /nfs/dbraw/zinc/12/16/67/583121667.db2.gz DEGHOFXGCXVXIH-GARJFASQSA-N 1 1 197.322 2.332 10 0 AEAEMO CCC(=O)CC[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C 842161440 583121960 /nfs/dbraw/zinc/12/19/60/583121960.db2.gz DEGHOFXGCXVXIH-HBNTYKKESA-N 1 1 197.322 2.332 10 0 AEAEMO CCC(=O)CC[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C 842161437 583122001 /nfs/dbraw/zinc/12/20/01/583122001.db2.gz DEGHOFXGCXVXIH-DCAQKATOSA-N 1 1 197.322 2.332 10 0 AEAEMO CCC(=O)CC[N@H+]1CCC12CCCC2 844359864 583140752 /nfs/dbraw/zinc/14/07/52/583140752.db2.gz NUSGQUGUXCRDCW-UHFFFAOYSA-N 1 1 195.306 2.374 10 0 AEAEMO CC[N@H+]1CCC[C@]2(C1)CC2(F)F 844439175 583141519 /nfs/dbraw/zinc/14/15/19/583141519.db2.gz NTFDLRNOTKKKMJ-MRVPVSSYSA-N 1 1 175.222 2.128 10 0 AEAEMO FCC[N@H+]1CCC[C@]2(C1)CC2(F)F 844434854 583141740 /nfs/dbraw/zinc/14/17/40/583141740.db2.gz CRGJNUZKEQAGEQ-MRVPVSSYSA-N 1 1 193.212 2.077 10 0 AEAEMO FCC[N@H+]1CCC[C@@]2(C1)CC2(F)F 844434855 583141778 /nfs/dbraw/zinc/14/17/78/583141778.db2.gz CRGJNUZKEQAGEQ-QMMMGPOBSA-N 1 1 193.212 2.077 10 0 AEAEMO CC[N@H+]1CCC[C@@]2(C1)CC2(F)F 844439178 583141953 /nfs/dbraw/zinc/14/19/53/583141953.db2.gz NTFDLRNOTKKKMJ-QMMMGPOBSA-N 1 1 175.222 2.128 10 0 AEAEMO FC1(F)[C@@H]2C[N@@H+](C3CCCC3)C[C@@H]21 844456352 583142049 /nfs/dbraw/zinc/14/20/49/583142049.db2.gz GCEKNKXZEVFUSS-DTORHVGOSA-N 1 1 187.233 2.126 10 0 AEAEMO FC1(F)[C@@H]2C[N@H+](CC3=CCCC3)C[C@@H]21 844459874 583142921 /nfs/dbraw/zinc/14/29/21/583142921.db2.gz DAISLWRWVKHRJC-AOOOYVTPSA-N 1 1 199.244 2.294 10 0 AEAEMO F[C@H]1CCC[N@H+](Cc2ccoc2)C1 846119180 583152829 /nfs/dbraw/zinc/15/28/29/583152829.db2.gz BSAAFFFVLHPDKN-JTQLQIEISA-N 1 1 183.226 2.214 10 0 AEAEMO F[C@H]1CCC[N@@H+](Cc2ccoc2)C1 846119180 583152830 /nfs/dbraw/zinc/15/28/30/583152830.db2.gz BSAAFFFVLHPDKN-JTQLQIEISA-N 1 1 183.226 2.214 10 0 AEAEMO F[C@@H]1CCC[N@H+](Cc2ccoc2)C1 846119182 583153035 /nfs/dbraw/zinc/15/30/35/583153035.db2.gz BSAAFFFVLHPDKN-SNVBAGLBSA-N 1 1 183.226 2.214 10 0 AEAEMO F[C@@H]1CCC[N@@H+](Cc2ccoc2)C1 846119182 583153037 /nfs/dbraw/zinc/15/30/37/583153037.db2.gz BSAAFFFVLHPDKN-SNVBAGLBSA-N 1 1 183.226 2.214 10 0 AEAEMO CC/C=C\CCO[NH+]=C(N)[C@@H]1C[C@@H]1C 848517777 583168596 /nfs/dbraw/zinc/16/85/96/583168596.db2.gz FZZUIFAMHYFBNB-YVDHIRPGSA-N 1 1 196.294 2.497 10 0 AEAEMO CC/C=C/CCO[NH+]=C(N)[C@@H]1C[C@H]1C 848517775 583168041 /nfs/dbraw/zinc/16/80/41/583168041.db2.gz FZZUIFAMHYFBNB-NUNSBDKSSA-N 1 1 196.294 2.497 10 0 AEAEMO C[C@H]1C[C@@H]1C(N)=[NH+]OC1CCCC1 848521530 583168171 /nfs/dbraw/zinc/16/81/71/583168171.db2.gz SOCOUMSWSFVUDE-CBAPKCEASA-N 1 1 182.267 2.083 10 0 AEAEMO C[C@H]1C[C@@H]1C(N)=[NH+]OCC1=CCCC1 848521865 583168219 /nfs/dbraw/zinc/16/82/19/583168219.db2.gz UDIGJGDUJAINBQ-WPRPVWTQSA-N 1 1 194.278 2.251 10 0 AEAEMO C[C@@H]1C[C@H]1C(N)=[NH+]OC1CCCC1 848521535 583168402 /nfs/dbraw/zinc/16/84/02/583168402.db2.gz SOCOUMSWSFVUDE-VXNVDRBHSA-N 1 1 182.267 2.083 10 0 AEAEMO C[C@@H]1C[C@@H]1C(N)=[NH+]OC1CCCC1 848521528 583168406 /nfs/dbraw/zinc/16/84/06/583168406.db2.gz SOCOUMSWSFVUDE-APPZFPTMSA-N 1 1 182.267 2.083 10 0 AEAEMO C[C@H]1C[C@H]1C(N)=[NH+]OC1CCCC1 848521532 583168419 /nfs/dbraw/zinc/16/84/19/583168419.db2.gz SOCOUMSWSFVUDE-IONNQARKSA-N 1 1 182.267 2.083 10 0 AEAEMO CC/C=C\CCO[NH+]=C(N)[C@@H]1C[C@H]1C 848517774 583168434 /nfs/dbraw/zinc/16/84/34/583168434.db2.gz FZZUIFAMHYFBNB-BYIQDMNASA-N 1 1 196.294 2.497 10 0 AEAEMO CC/C=C/CCO[NH+]=C(N)[C@@H]1C[C@@H]1C 848517776 583168639 /nfs/dbraw/zinc/16/86/39/583168639.db2.gz FZZUIFAMHYFBNB-OCIBVNFRSA-N 1 1 196.294 2.497 10 0 AEAEMO CC(C)=CCO[NH+]=C(N)[C@H]1C[C@@H]1C 848520949 583168857 /nfs/dbraw/zinc/16/88/57/583168857.db2.gz QWJRLQKYHKTEDS-IUCAKERBSA-N 1 1 182.267 2.107 10 0 AEAEMO CC[C@H](C)CO[NH+]=C(N)[C@H]1C[C@@H]1C 848518920 583168909 /nfs/dbraw/zinc/16/89/09/583168909.db2.gz MGNXXQQILFSKBF-CIUDSAMLSA-N 1 1 184.283 2.187 10 0 AEAEMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCC1CCCC1 848517106 583169002 /nfs/dbraw/zinc/16/90/02/583169002.db2.gz GMKJPSTZXQAARF-SCZZXKLOSA-N 1 1 196.294 2.331 10 0 AEAEMO CC(C)CCO[NH+]=C(N)[C@@H]1C[C@@H]1C 848517256 583169015 /nfs/dbraw/zinc/16/90/15/583169015.db2.gz HDVDSWFAQUDSMR-DTWKUNHWSA-N 1 1 184.283 2.187 10 0 AEAEMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCC1=CCCC1 848521862 583169057 /nfs/dbraw/zinc/16/90/57/583169057.db2.gz UDIGJGDUJAINBQ-SCZZXKLOSA-N 1 1 194.278 2.251 10 0 AEAEMO CC(C)=CCO[NH+]=C(N)[C@@H]1C[C@@H]1C 848520948 583169061 /nfs/dbraw/zinc/16/90/61/583169061.db2.gz QWJRLQKYHKTEDS-DTWKUNHWSA-N 1 1 182.267 2.107 10 0 AEAEMO CC[C@H](C)CO[NH+]=C(N)[C@@H]1C[C@@H]1C 848519019 583169069 /nfs/dbraw/zinc/16/90/69/583169069.db2.gz MGNXXQQILFSKBF-XHNCKOQMSA-N 1 1 184.283 2.187 10 0 AEAEMO C[C@H]1C[C@@H]1C(N)=[NH+]OCC1CCCC1 848517109 583169175 /nfs/dbraw/zinc/16/91/75/583169175.db2.gz GMKJPSTZXQAARF-WPRPVWTQSA-N 1 1 196.294 2.331 10 0 AEAEMO C[C@@H]1C[C@H]1C(N)=[NH+]OCC1CCCC1 848517100 583169206 /nfs/dbraw/zinc/16/92/06/583169206.db2.gz GMKJPSTZXQAARF-PSASIEDQSA-N 1 1 196.294 2.331 10 0 AEAEMO C[C@@H]1C[C@H]1C(N)=[NH+]OCC1=CCCC1 848521860 583169249 /nfs/dbraw/zinc/16/92/49/583169249.db2.gz UDIGJGDUJAINBQ-PSASIEDQSA-N 1 1 194.278 2.251 10 0 AEAEMO CC(C)CCO[NH+]=C(N)[C@@H]1C[C@H]1C 848517260 583169297 /nfs/dbraw/zinc/16/92/97/583169297.db2.gz HDVDSWFAQUDSMR-RKDXNWHRSA-N 1 1 184.283 2.187 10 0 AEAEMO CC(C)CCO[NH+]=C(N)[C@H]1C[C@H]1C 848517251 583169315 /nfs/dbraw/zinc/16/93/15/583169315.db2.gz HDVDSWFAQUDSMR-BDAKNGLRSA-N 1 1 184.283 2.187 10 0 AEAEMO CC[C@H](C)CO[NH+]=C(N)[C@@H]1C[C@H]1C 848518923 583169348 /nfs/dbraw/zinc/16/93/48/583169348.db2.gz MGNXXQQILFSKBF-DJLDLDEBSA-N 1 1 184.283 2.187 10 0 AEAEMO C[C@H]1C[C@H]1C(N)=[NH+]OCC1=CCCC1 848521864 583169361 /nfs/dbraw/zinc/16/93/61/583169361.db2.gz UDIGJGDUJAINBQ-WCBMZHEXSA-N 1 1 194.278 2.251 10 0 AEAEMO CC(C)=CCO[NH+]=C(N)[C@@H]1C[C@H]1C 848520950 583169457 /nfs/dbraw/zinc/16/94/57/583169457.db2.gz QWJRLQKYHKTEDS-RKDXNWHRSA-N 1 1 182.267 2.107 10 0 AEAEMO C[C@H]1C[C@H]1C(N)=[NH+]OCC1CCCC1 848517107 583169473 /nfs/dbraw/zinc/16/94/73/583169473.db2.gz GMKJPSTZXQAARF-WCBMZHEXSA-N 1 1 196.294 2.331 10 0 AEAEMO CC(C)=CCO[NH+]=C(N)[C@H]1C[C@H]1C 848520947 583169475 /nfs/dbraw/zinc/16/94/75/583169475.db2.gz QWJRLQKYHKTEDS-BDAKNGLRSA-N 1 1 182.267 2.107 10 0 AEAEMO CC(C)CCO[NH+]=C(N)[C@H]1C[C@@H]1C 848517258 583169578 /nfs/dbraw/zinc/16/95/78/583169578.db2.gz HDVDSWFAQUDSMR-IUCAKERBSA-N 1 1 184.283 2.187 10 0 AEAEMO CC[C@H](C)CO[NH+]=C(N)[C@H]1C[C@H]1C 848519020 583169641 /nfs/dbraw/zinc/16/96/41/583169641.db2.gz MGNXXQQILFSKBF-YIZRAAEISA-N 1 1 184.283 2.187 10 0 AEAEMO CCC[N@@H+](Cc1cncnc1)C(C)C 848924049 583171192 /nfs/dbraw/zinc/17/11/92/583171192.db2.gz VRWWAVDKDXIIPH-UHFFFAOYSA-N 1 1 193.294 2.097 10 0 AEAEMO CCCC[N@@H+](CC)CCOC(F)F 851711858 583188840 /nfs/dbraw/zinc/18/88/40/583188840.db2.gz HAXKFUTVSKPWKM-UHFFFAOYSA-N 1 1 195.253 2.348 10 0 AEAEMO C[N@@H+](CCOC(F)F)C1CCCC1 851716746 583188903 /nfs/dbraw/zinc/18/89/03/583188903.db2.gz DLDRPEMLYHCIMG-UHFFFAOYSA-N 1 1 193.237 2.100 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)CCOC(F)F 851719785 583189083 /nfs/dbraw/zinc/18/90/83/583189083.db2.gz SEMZJZWAIZRFPH-MRVPVSSYSA-N 1 1 195.253 2.202 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)CCOC(F)F 851719786 583189448 /nfs/dbraw/zinc/18/94/48/583189448.db2.gz SEMZJZWAIZRFPH-QMMMGPOBSA-N 1 1 195.253 2.202 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)CCOC(F)F 851725044 583190164 /nfs/dbraw/zinc/19/01/64/583190164.db2.gz QBCOVDOFGNBAER-MRVPVSSYSA-N 1 1 195.253 2.346 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1CCOC(F)F 851720164 583190174 /nfs/dbraw/zinc/19/01/74/583190174.db2.gz BMBAQAQGJUGOKN-MRVPVSSYSA-N 1 1 193.237 2.100 10 0 AEAEMO C[C@H]1CCCC[N@H+]1CCOC(F)F 851720165 583190190 /nfs/dbraw/zinc/19/01/90/583190190.db2.gz BMBAQAQGJUGOKN-QMMMGPOBSA-N 1 1 193.237 2.100 10 0 AEAEMO CC[N@@H+](CCOC(F)F)CC(C)C 851726368 583190231 /nfs/dbraw/zinc/19/02/31/583190231.db2.gz PFTFBVHXDJWXHP-UHFFFAOYSA-N 1 1 195.253 2.204 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)CCOC(F)F 851725045 583190574 /nfs/dbraw/zinc/19/05/74/583190574.db2.gz QBCOVDOFGNBAER-QMMMGPOBSA-N 1 1 195.253 2.346 10 0 AEAEMO CC(C)CC[N@@H+](C)CCOC(F)F 851730321 583190892 /nfs/dbraw/zinc/19/08/92/583190892.db2.gz BUCWGRIBRGRSBD-UHFFFAOYSA-N 1 1 195.253 2.204 10 0 AEAEMO CC(C)[N@@H+](CCOC(F)F)C1CC1 851727225 583191009 /nfs/dbraw/zinc/19/10/09/583191009.db2.gz GYLVMRUXJNDDNC-UHFFFAOYSA-N 1 1 193.237 2.098 10 0 AEAEMO CC[N@@H+](Cc1cccc(F)n1)C(C)C 851732681 583192022 /nfs/dbraw/zinc/19/20/22/583192022.db2.gz AMUFBGBWGZDCGW-UHFFFAOYSA-N 1 1 196.269 2.451 10 0 AEAEMO CC(C)C[N@@H+](C)Cc1cccc(F)n1 851738410 583192076 /nfs/dbraw/zinc/19/20/76/583192076.db2.gz FYRJBXNBENFLFM-UHFFFAOYSA-N 1 1 196.269 2.309 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1CCOC(F)F 851749036 583192799 /nfs/dbraw/zinc/19/27/99/583192799.db2.gz STUHUAPCLDNYPB-MRVPVSSYSA-N 1 1 193.237 2.100 10 0 AEAEMO CC[C@H]1CCC[N@H+]1CCOC(F)F 851749037 583192807 /nfs/dbraw/zinc/19/28/07/583192807.db2.gz STUHUAPCLDNYPB-QMMMGPOBSA-N 1 1 193.237 2.100 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)CCOC(F)F 851766890 583192969 /nfs/dbraw/zinc/19/29/69/583192969.db2.gz PQLXZFIIMOWHGF-MRVPVSSYSA-N 1 1 195.253 2.204 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)CCOC(F)F 851766891 583193046 /nfs/dbraw/zinc/19/30/46/583193046.db2.gz PQLXZFIIMOWHGF-QMMMGPOBSA-N 1 1 195.253 2.204 10 0 AEAEMO CC1(C)CCC[N@H+]1CCOC(F)F 851750219 583193254 /nfs/dbraw/zinc/19/32/54/583193254.db2.gz AUIXTVHCBDYJQR-UHFFFAOYSA-N 1 1 193.237 2.100 10 0 AEAEMO C[N@@H+](CCOC(F)F)CC(C)(C)C 851747874 583193541 /nfs/dbraw/zinc/19/35/41/583193541.db2.gz LAZSCXBUIKSCGD-UHFFFAOYSA-N 1 1 195.253 2.204 10 0 AEAEMO CCC[N@@H+](CCOC(F)F)C1CC1 851752117 583193577 /nfs/dbraw/zinc/19/35/77/583193577.db2.gz ZJNJOSMCFFAWRT-UHFFFAOYSA-N 1 1 193.237 2.100 10 0 AEAEMO CC[N@@H+](CCOC(F)F)C1CCC1 851778838 583195250 /nfs/dbraw/zinc/19/52/50/583195250.db2.gz JCICLUDORXXEIS-UHFFFAOYSA-N 1 1 193.237 2.100 10 0 AEAEMO C[C@H]1CC[C@@H](C)[N@H+]1CCOC(F)F 851808509 583196873 /nfs/dbraw/zinc/19/68/73/583196873.db2.gz ODBFPABRAJXPIF-OCAPTIKFSA-N 1 1 193.237 2.098 10 0 AEAEMO ClC(Cl)=CC[N@@H+]1CC[C@H]2C[C@H]21 851877535 583197150 /nfs/dbraw/zinc/19/71/50/583197150.db2.gz KTPXWLGYVSOOGF-NKWVEPMBSA-N 1 1 192.089 2.400 10 0 AEAEMO ClC(Cl)=CC[N@H+]1CC[C@H]2C[C@H]21 851877535 583197157 /nfs/dbraw/zinc/19/71/57/583197157.db2.gz KTPXWLGYVSOOGF-NKWVEPMBSA-N 1 1 192.089 2.400 10 0 AEAEMO CCC(CC)C[N@H+]1CCN(C)[C@H](C)C1 851877271 583197256 /nfs/dbraw/zinc/19/72/56/583197256.db2.gz GNYXDHUTDNKXHT-LLVKDONJSA-N 1 1 198.354 2.059 10 0 AEAEMO CCC(CC)C[N@H+]1CCN(C)[C@@H](C)C1 851877274 583197528 /nfs/dbraw/zinc/19/75/28/583197528.db2.gz GNYXDHUTDNKXHT-NSHDSACASA-N 1 1 198.354 2.059 10 0 AEAEMO ClC(Cl)=CC[N@@H+]1CC[C@@H]2C[C@@H]21 851877537 583197532 /nfs/dbraw/zinc/19/75/32/583197532.db2.gz KTPXWLGYVSOOGF-RQJHMYQMSA-N 1 1 192.089 2.400 10 0 AEAEMO ClC(Cl)=CC[N@H+]1CC[C@@H]2C[C@@H]21 851877537 583197534 /nfs/dbraw/zinc/19/75/34/583197534.db2.gz KTPXWLGYVSOOGF-RQJHMYQMSA-N 1 1 192.089 2.400 10 0 AEAEMO C1=CCC(C[N@H+]2CC[C@@H]3C[C@@H]32)C1 851877396 583197545 /nfs/dbraw/zinc/19/75/45/583197545.db2.gz HBDUYRIVYHACLC-MNOVXSKESA-N 1 1 163.264 2.047 10 0 AEAEMO CCC(C)(C)[N@@H+](C)CCOC(F)F 851841833 583198039 /nfs/dbraw/zinc/19/80/39/583198039.db2.gz CWVOATOBWXNWKJ-UHFFFAOYSA-N 1 1 195.253 2.346 10 0 AEAEMO C1[C@H](C[N@H+]2CC[C@@H]3C[C@@H]32)C[C@H]2C[C@@H]12 851877627 583198109 /nfs/dbraw/zinc/19/81/09/583198109.db2.gz MMGFVQDAMTVOOR-ZIQFBCGOSA-N 1 1 177.291 2.127 10 0 AEAEMO C1=CCC(C[N@H+]2CC[C@H]3C[C@H]32)C1 851877398 583198232 /nfs/dbraw/zinc/19/82/32/583198232.db2.gz HBDUYRIVYHACLC-WDEREUQCSA-N 1 1 163.264 2.047 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CC[C@@H]2C[C@@H]21 851877069 583198255 /nfs/dbraw/zinc/19/82/55/583198255.db2.gz CEEFXPJCQLJKJN-AEJSXWLSSA-N 1 1 153.269 2.125 10 0 AEAEMO CC(C)=CCC[N@H+]1CC[C@@H]2C[C@@H]21 851878014 583198891 /nfs/dbraw/zinc/19/88/91/583198891.db2.gz YODAPRWSQVJVQZ-MNOVXSKESA-N 1 1 165.280 2.437 10 0 AEAEMO c1cc(C[N@H+]2CC[C@H]3C[C@H]32)cs1 851878071 583198929 /nfs/dbraw/zinc/19/89/29/583198929.db2.gz ZWJLOHOSCCSIOR-VHSXEESVSA-N 1 1 179.288 2.342 10 0 AEAEMO C1CC(CC[N@H+]2CC[C@@H]3C[C@@H]32)C1 851877746 583199029 /nfs/dbraw/zinc/19/90/29/583199029.db2.gz QIJKCCDKZNZGCL-MNOVXSKESA-N 1 1 165.280 2.271 10 0 AEAEMO C1CC(CC[N@H+]2CC[C@H]3C[C@H]32)C1 851877748 583199296 /nfs/dbraw/zinc/19/92/96/583199296.db2.gz QIJKCCDKZNZGCL-WDEREUQCSA-N 1 1 165.280 2.271 10 0 AEAEMO CC(C)=CCC[N@H+]1CC[C@H]2C[C@H]21 851878016 583199310 /nfs/dbraw/zinc/19/93/10/583199310.db2.gz YODAPRWSQVJVQZ-WDEREUQCSA-N 1 1 165.280 2.437 10 0 AEAEMO c1cc(C[N@H+]2CC[C@@H]3C[C@@H]32)cs1 851878072 583199343 /nfs/dbraw/zinc/19/93/43/583199343.db2.gz ZWJLOHOSCCSIOR-ZJUUUORDSA-N 1 1 179.288 2.342 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@@H+]1Cc1cccc(F)n1 851998964 583202069 /nfs/dbraw/zinc/20/20/69/583202069.db2.gz XDGKTYDDDLVWBX-DTORHVGOSA-N 1 1 194.253 2.203 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1Cc1cccc(F)n1 851998964 583202072 /nfs/dbraw/zinc/20/20/72/583202072.db2.gz XDGKTYDDDLVWBX-DTORHVGOSA-N 1 1 194.253 2.203 10 0 AEAEMO C[C@@H]1C[C@@H](C)[NH+]1Cc1cccc(F)n1 851998967 583202212 /nfs/dbraw/zinc/20/22/12/583202212.db2.gz XDGKTYDDDLVWBX-RKDXNWHRSA-N 1 1 194.253 2.203 10 0 AEAEMO CO[C@@H]1CC[C@H]([N@H+]2[C@@H](C)C[C@H]2C)C1 851997228 583202305 /nfs/dbraw/zinc/20/23/05/583202305.db2.gz HWKSYQNFZVZPID-ZRUFSTJUSA-N 1 1 183.295 2.037 10 0 AEAEMO C[C@H]1C[C@H](C)[NH+]1Cc1cccc(F)n1 851998965 583202598 /nfs/dbraw/zinc/20/25/98/583202598.db2.gz XDGKTYDDDLVWBX-IUCAKERBSA-N 1 1 194.253 2.203 10 0 AEAEMO CO[C@@H]1CC[C@@H]([N@H+]2[C@@H](C)C[C@H]2C)C1 851997226 583202991 /nfs/dbraw/zinc/20/29/91/583202991.db2.gz HWKSYQNFZVZPID-LMLFDSFASA-N 1 1 183.295 2.037 10 0 AEAEMO C[C@H]1C[N@H+](Cc2cccc(F)n2)[C@@H]1C 852092210 583203412 /nfs/dbraw/zinc/20/34/12/583203412.db2.gz RIJMVNXPBRCNPM-DTWKUNHWSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@H]1C[N@@H+](Cc2cccc(F)n2)[C@@H]1C 852092210 583203417 /nfs/dbraw/zinc/20/34/17/583203417.db2.gz RIJMVNXPBRCNPM-DTWKUNHWSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@H]1[C@H](C)C[N@@H+]1Cc1cccc(F)n1 852092209 583203591 /nfs/dbraw/zinc/20/35/91/583203591.db2.gz RIJMVNXPBRCNPM-BDAKNGLRSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1Cc1cccc(F)n1 852092209 583203592 /nfs/dbraw/zinc/20/35/92/583203592.db2.gz RIJMVNXPBRCNPM-BDAKNGLRSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@H]1C[N@H+](Cc2cccc(F)n2)[C@H]1C 852092211 583203618 /nfs/dbraw/zinc/20/36/18/583203618.db2.gz RIJMVNXPBRCNPM-IUCAKERBSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@H]1C[N@@H+](Cc2cccc(F)n2)[C@H]1C 852092211 583203620 /nfs/dbraw/zinc/20/36/20/583203620.db2.gz RIJMVNXPBRCNPM-IUCAKERBSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@@H]1C[N@H+](Cc2cccc(F)n2)[C@@H]1C 852092212 583204365 /nfs/dbraw/zinc/20/43/65/583204365.db2.gz RIJMVNXPBRCNPM-RKDXNWHRSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@@H]1C[N@@H+](Cc2cccc(F)n2)[C@@H]1C 852092212 583204367 /nfs/dbraw/zinc/20/43/67/583204367.db2.gz RIJMVNXPBRCNPM-RKDXNWHRSA-N 1 1 194.253 2.061 10 0 AEAEMO CCC[N@@H+](CCOC(F)F)C(C)C 852214968 583205738 /nfs/dbraw/zinc/20/57/38/583205738.db2.gz AXLCUCQKETXLJR-UHFFFAOYSA-N 1 1 195.253 2.346 10 0 AEAEMO FCC[NH+]1CCC(c2ccco2)CC1 852320732 583205857 /nfs/dbraw/zinc/20/58/57/583205857.db2.gz FHBROVCRXIXNNB-UHFFFAOYSA-N 1 1 197.253 2.429 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+]1C[C@@H]2[C@H](C1)C2(F)F 852212901 583206299 /nfs/dbraw/zinc/20/62/99/583206299.db2.gz GLGKVEPUBSXZSW-HLTSFMKQSA-N 1 1 189.249 2.228 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)CCOC(F)F 852290557 583206472 /nfs/dbraw/zinc/20/64/72/583206472.db2.gz JWFHNCLMUJRMJN-QMMMGPOBSA-N 1 1 195.253 2.346 10 0 AEAEMO CC(C)[C@H](C)[N@@H+]1C[C@@H]2[C@H](C1)C2(F)F 852212902 583206493 /nfs/dbraw/zinc/20/64/93/583206493.db2.gz GLGKVEPUBSXZSW-XHNCKOQMSA-N 1 1 189.249 2.228 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)CCOC(F)F 852290555 583206561 /nfs/dbraw/zinc/20/65/61/583206561.db2.gz JWFHNCLMUJRMJN-MRVPVSSYSA-N 1 1 195.253 2.346 10 0 AEAEMO CCCCC[N@@H+](CCF)CCOC 852481354 583206948 /nfs/dbraw/zinc/20/69/48/583206948.db2.gz MAQOSIHMCSRALJ-UHFFFAOYSA-N 1 1 191.290 2.095 10 0 AEAEMO CCC[C@H](C)[N@@H+](CCF)CCOC 852480224 583207694 /nfs/dbraw/zinc/20/76/94/583207694.db2.gz RAIRXCHHITXOKK-JTQLQIEISA-N 1 1 191.290 2.093 10 0 AEAEMO CCC[C@@H](C)[N@@H+](CCF)CCOC 852480225 583207896 /nfs/dbraw/zinc/20/78/96/583207896.db2.gz RAIRXCHHITXOKK-SNVBAGLBSA-N 1 1 191.290 2.093 10 0 AEAEMO CCCCCC[N@H+]1CC[C@@]2(O)C[C@H]2C1 852536077 583209068 /nfs/dbraw/zinc/20/90/68/583209068.db2.gz BGIFVYKQNWQOPP-NWDGAFQWSA-N 1 1 197.322 2.023 10 0 AEAEMO FCC[C@H]1CCC[N@@H+](CCF)C1 852532031 583209121 /nfs/dbraw/zinc/20/91/21/583209121.db2.gz BGZJDOHTELARJR-SECBINFHSA-N 1 1 177.238 2.028 10 0 AEAEMO FCC[C@@H]1CCC[N@@H+](CCF)C1 852532032 583209159 /nfs/dbraw/zinc/20/91/59/583209159.db2.gz BGZJDOHTELARJR-VIFPVBQESA-N 1 1 177.238 2.028 10 0 AEAEMO FCC[N@H+]1CCC[C@H](C2CCC2)C1 852673375 583209392 /nfs/dbraw/zinc/20/93/92/583209392.db2.gz IEWVBPCZIGTOFT-NSHDSACASA-N 1 1 185.286 2.468 10 0 AEAEMO FCC[N@H+]1CCC[C@@H](C2CCC2)C1 852673374 583209812 /nfs/dbraw/zinc/20/98/12/583209812.db2.gz IEWVBPCZIGTOFT-LLVKDONJSA-N 1 1 185.286 2.468 10 0 AEAEMO CCCCCC[N@H+]1CCC2(COC2)C1 852683409 583210144 /nfs/dbraw/zinc/21/01/44/583210144.db2.gz KCRWNWNFMRAVRH-UHFFFAOYSA-N 1 1 197.322 2.289 10 0 AEAEMO FCC[N@@H+](CCC1CC1)CC1CC1 852716756 583210996 /nfs/dbraw/zinc/21/09/96/583210996.db2.gz RSEPHVMLJJVQIS-UHFFFAOYSA-N 1 1 185.286 2.468 10 0 AEAEMO CO[C@@H]1CC[C@H]([N@H+]2CC3CC2(C)C3)C1 852785520 583212044 /nfs/dbraw/zinc/21/20/44/583212044.db2.gz AQJHLJAVMYYJCW-LVFLEHKBSA-N 1 1 195.306 2.038 10 0 AEAEMO CO[C@@H]1CC[C@@H]([N@H+]2CC3CC2(C)C3)C1 852785517 583212263 /nfs/dbraw/zinc/21/22/63/583212263.db2.gz AQJHLJAVMYYJCW-BFUDSRACSA-N 1 1 195.306 2.038 10 0 AEAEMO CC12CC(C[N@@H+]1Cc1cscn1)C2 852785535 583212691 /nfs/dbraw/zinc/21/26/91/583212691.db2.gz MJIVOSQVAMPBRJ-UHFFFAOYSA-N 1 1 194.303 2.127 10 0 AEAEMO CC12CC(C[N@H+]1Cc1cscn1)C2 852785535 583212693 /nfs/dbraw/zinc/21/26/93/583212693.db2.gz MJIVOSQVAMPBRJ-UHFFFAOYSA-N 1 1 194.303 2.127 10 0 AEAEMO CO[C@H]1CC[C@@H]([N@H+]2CC3CC2(C)C3)C1 852785524 583212764 /nfs/dbraw/zinc/21/27/64/583212764.db2.gz AQJHLJAVMYYJCW-UPOSSJBDSA-N 1 1 195.306 2.038 10 0 AEAEMO CC12CC(C[N@H+]1C[Si](C)(C)C)C2 852785294 583212790 /nfs/dbraw/zinc/21/27/90/583212790.db2.gz FOIXDLQPVQTWLE-UHFFFAOYSA-N 1 1 183.371 2.348 10 0 AEAEMO CC12CC(C[N@H+]1C/C=C/Cl)C2 852785253 583212806 /nfs/dbraw/zinc/21/28/06/583212806.db2.gz CZMZTNVIFIANRZ-NSCUHMNNSA-N 1 1 171.671 2.223 10 0 AEAEMO CO[C@H]1CC[C@H]([N@H+]2CC3CC2(C)C3)C1 852785527 583212869 /nfs/dbraw/zinc/21/28/69/583212869.db2.gz AQJHLJAVMYYJCW-YECOWLKZSA-N 1 1 195.306 2.038 10 0 AEAEMO CC12CC(C[N@H+]1C/C=C\Cl)C2 852785252 583212910 /nfs/dbraw/zinc/21/29/10/583212910.db2.gz CZMZTNVIFIANRZ-IHWYPQMZSA-N 1 1 171.671 2.223 10 0 AEAEMO CC12CC(C[N@H+]1CCCCCCO)C2 852785920 583212946 /nfs/dbraw/zinc/21/29/46/583212946.db2.gz RRNVLHYXHGVUPP-UHFFFAOYSA-N 1 1 197.322 2.023 10 0 AEAEMO C[C@H]1C[C@H]1C(N)=[NH+]OCC1CC=CC1 853731263 583230259 /nfs/dbraw/zinc/23/02/59/583230259.db2.gz MEWJNIHBOIJBOR-WCBMZHEXSA-N 1 1 194.278 2.107 10 0 AEAEMO C[C@@H]1C[C@H]1C(N)=[NH+]OCC1CC=CC1 853731261 583230310 /nfs/dbraw/zinc/23/03/10/583230310.db2.gz MEWJNIHBOIJBOR-PSASIEDQSA-N 1 1 194.278 2.107 10 0 AEAEMO C[C@@H]1C[C@H]1C(N)=[NH+]OCC1(C)CCC1 853732054 583230348 /nfs/dbraw/zinc/23/03/48/583230348.db2.gz VOKTZTMDGVAYQC-RKDXNWHRSA-N 1 1 196.294 2.331 10 0 AEAEMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCC1CC=CC1 853731262 583230827 /nfs/dbraw/zinc/23/08/27/583230827.db2.gz MEWJNIHBOIJBOR-SCZZXKLOSA-N 1 1 194.278 2.107 10 0 AEAEMO CC(C)=CCCO[NH+]=C(N)[C@@H]1C[C@@H]1C 853730915 583230423 /nfs/dbraw/zinc/23/04/23/583230423.db2.gz JZJIWUYGVVZUTQ-VHSXEESVSA-N 1 1 196.294 2.497 10 0 AEAEMO CC(C)[C@H](C)O[NH+]=C(N)[C@H]1C[C@@H]1C 853731462 583230563 /nfs/dbraw/zinc/23/05/63/583230563.db2.gz NTXGBYUFDYQICH-CIUDSAMLSA-N 1 1 184.283 2.185 10 0 AEAEMO C[C@H]1C[C@@H]1C(N)=[NH+]OCCC1CCC1 853731771 583230580 /nfs/dbraw/zinc/23/05/80/583230580.db2.gz QZOGPDGJPOMGLS-WPRPVWTQSA-N 1 1 196.294 2.331 10 0 AEAEMO C[C@H]1C[C@@H]1C(N)=[NH+]OCC1(C)CCC1 853732053 583230590 /nfs/dbraw/zinc/23/05/90/583230590.db2.gz VOKTZTMDGVAYQC-IUCAKERBSA-N 1 1 196.294 2.331 10 0 AEAEMO C[C@@H]1C[C@H]1C(N)=[NH+]OCCC1CCC1 853731766 583230594 /nfs/dbraw/zinc/23/05/94/583230594.db2.gz QZOGPDGJPOMGLS-PSASIEDQSA-N 1 1 196.294 2.331 10 0 AEAEMO CC(C)=CCCO[NH+]=C(N)[C@H]1C[C@H]1C 853730916 583230631 /nfs/dbraw/zinc/23/06/31/583230631.db2.gz JZJIWUYGVVZUTQ-ZJUUUORDSA-N 1 1 196.294 2.497 10 0 AEAEMO C[C@H]1C[C@H]1C(N)=[NH+]OCCC1CCC1 853731769 583230646 /nfs/dbraw/zinc/23/06/46/583230646.db2.gz QZOGPDGJPOMGLS-WCBMZHEXSA-N 1 1 196.294 2.331 10 0 AEAEMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCCC1CCC1 853731768 583230700 /nfs/dbraw/zinc/23/07/00/583230700.db2.gz QZOGPDGJPOMGLS-SCZZXKLOSA-N 1 1 196.294 2.331 10 0 AEAEMO C[C@H]1C[C@H]1C(N)=[NH+]OCC1(C)CCC1 853732052 583230738 /nfs/dbraw/zinc/23/07/38/583230738.db2.gz VOKTZTMDGVAYQC-DTWKUNHWSA-N 1 1 196.294 2.331 10 0 AEAEMO C[C@H]1C[C@@H]1C(N)=[NH+]OCC1CC=CC1 853731264 583230746 /nfs/dbraw/zinc/23/07/46/583230746.db2.gz MEWJNIHBOIJBOR-WPRPVWTQSA-N 1 1 194.278 2.107 10 0 AEAEMO CC(C)=CCCO[NH+]=C(N)[C@H]1C[C@@H]1C 853730914 583230772 /nfs/dbraw/zinc/23/07/72/583230772.db2.gz JZJIWUYGVVZUTQ-UWVGGRQHSA-N 1 1 196.294 2.497 10 0 AEAEMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCC1(C)CCC1 853732051 583230789 /nfs/dbraw/zinc/23/07/89/583230789.db2.gz VOKTZTMDGVAYQC-BDAKNGLRSA-N 1 1 196.294 2.331 10 0 AEAEMO CC(C)[C@H](C)O[NH+]=C(N)[C@@H]1C[C@@H]1C 853731469 583230891 /nfs/dbraw/zinc/23/08/91/583230891.db2.gz NTXGBYUFDYQICH-XHNCKOQMSA-N 1 1 184.283 2.185 10 0 AEAEMO CC(C)=CCCO[NH+]=C(N)[C@@H]1C[C@H]1C 853730913 583231011 /nfs/dbraw/zinc/23/10/11/583231011.db2.gz JZJIWUYGVVZUTQ-NXEZZACHSA-N 1 1 196.294 2.497 10 0 AEAEMO CC(C)[C@H](C)O[NH+]=C(N)[C@H]1C[C@H]1C 853731467 583231052 /nfs/dbraw/zinc/23/10/52/583231052.db2.gz NTXGBYUFDYQICH-VGMNWLOBSA-N 1 1 184.283 2.185 10 0 AEAEMO CC(C)[C@H](C)O[NH+]=C(N)[C@@H]1C[C@H]1C 853731464 583231058 /nfs/dbraw/zinc/23/10/58/583231058.db2.gz NTXGBYUFDYQICH-HRDYMLBCSA-N 1 1 184.283 2.185 10 0 AEAEMO FCCCC[N@@H+]1Cc2ccncc2C1 857879541 583267548 /nfs/dbraw/zinc/26/75/48/583267548.db2.gz HXJVFIUNAOIPCS-UHFFFAOYSA-N 1 1 194.253 2.147 10 0 AEAEMO FCCCC[N@H+]1Cc2ccncc2C1 857879541 583267550 /nfs/dbraw/zinc/26/75/50/583267550.db2.gz HXJVFIUNAOIPCS-UHFFFAOYSA-N 1 1 194.253 2.147 10 0 AEAEMO C[N@H+](Cc1ccnc(F)c1)CC1CC1 859080200 583275890 /nfs/dbraw/zinc/27/58/90/583275890.db2.gz YHXPJEFFKPNJKJ-UHFFFAOYSA-N 1 1 194.253 2.063 10 0 AEAEMO CC(C)C[N@@H+](C)Cc1ccnc(F)c1 859093910 583275938 /nfs/dbraw/zinc/27/59/38/583275938.db2.gz ZFSJGCIIIJCCJZ-UHFFFAOYSA-N 1 1 196.269 2.309 10 0 AEAEMO CC[N@@H+](Cc1ccnc(F)c1)C1CC1 859073560 583276152 /nfs/dbraw/zinc/27/61/52/583276152.db2.gz SUWKADIQFAKSIK-UHFFFAOYSA-N 1 1 194.253 2.205 10 0 AEAEMO CC[N@@H+](Cc1ccnc(F)c1)C(C)C 859087274 583276197 /nfs/dbraw/zinc/27/61/97/583276197.db2.gz BSDASYBRHPIZAO-UHFFFAOYSA-N 1 1 196.269 2.451 10 0 AEAEMO CCC[N@@H+](CC)Cc1ccnc(F)c1 859094710 583276222 /nfs/dbraw/zinc/27/62/22/583276222.db2.gz JGDFEISZFNHOGL-UHFFFAOYSA-N 1 1 196.269 2.453 10 0 AEAEMO CO[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 859156081 583277220 /nfs/dbraw/zinc/27/72/20/583277220.db2.gz JAJGAXCTOYFODO-LLVKDONJSA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@H]1C[N@H+](Cc2ccnc(F)c2)[C@@H]1C 859316543 583277866 /nfs/dbraw/zinc/27/78/66/583277866.db2.gz WUYVYTIWGSOOOY-DTWKUNHWSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@H]1C[N@@H+](Cc2ccnc(F)c2)[C@@H]1C 859316543 583277868 /nfs/dbraw/zinc/27/78/68/583277868.db2.gz WUYVYTIWGSOOOY-DTWKUNHWSA-N 1 1 194.253 2.061 10 0 AEAEMO CC[C@H]1CC[N@H+]1Cc1ccnc(F)c1 859314423 583277985 /nfs/dbraw/zinc/27/79/85/583277985.db2.gz TWTDNDWEALBEKQ-JTQLQIEISA-N 1 1 194.253 2.205 10 0 AEAEMO C[C@@H]1C[N@H+](Cc2ccnc(F)c2)[C@@H]1C 859316545 583278338 /nfs/dbraw/zinc/27/83/38/583278338.db2.gz WUYVYTIWGSOOOY-RKDXNWHRSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@@H]1C[N@@H+](Cc2ccnc(F)c2)[C@@H]1C 859316545 583278340 /nfs/dbraw/zinc/27/83/40/583278340.db2.gz WUYVYTIWGSOOOY-RKDXNWHRSA-N 1 1 194.253 2.061 10 0 AEAEMO CC[C@@H]1CC[N@H+]1Cc1ccnc(F)c1 859314424 583278354 /nfs/dbraw/zinc/27/83/54/583278354.db2.gz TWTDNDWEALBEKQ-SNVBAGLBSA-N 1 1 194.253 2.205 10 0 AEAEMO C[C@H]1C[N@H+](Cc2ccnc(F)c2)[C@H]1C 859316544 583278454 /nfs/dbraw/zinc/27/84/54/583278454.db2.gz WUYVYTIWGSOOOY-IUCAKERBSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@H]1C[N@@H+](Cc2ccnc(F)c2)[C@H]1C 859316544 583278456 /nfs/dbraw/zinc/27/84/56/583278456.db2.gz WUYVYTIWGSOOOY-IUCAKERBSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1Cc1ccnc(F)c1 859284749 583278538 /nfs/dbraw/zinc/27/85/38/583278538.db2.gz QLEIYMFJSSZPKM-DTORHVGOSA-N 1 1 194.253 2.203 10 0 AEAEMO C[C@H]1[C@H](C)C[N@@H+]1Cc1ccnc(F)c1 859316542 583278582 /nfs/dbraw/zinc/27/85/82/583278582.db2.gz WUYVYTIWGSOOOY-BDAKNGLRSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1Cc1ccnc(F)c1 859316542 583278588 /nfs/dbraw/zinc/27/85/88/583278588.db2.gz WUYVYTIWGSOOOY-BDAKNGLRSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@@H]1CC(F)(F)CC[N@@H+]1CCF 859837387 583281590 /nfs/dbraw/zinc/28/15/90/583281590.db2.gz CTOSZAYFQNSVJC-SSDOTTSWSA-N 1 1 181.201 2.076 10 0 AEAEMO C[C@@H]1CC(F)(F)CC[N@H+]1CCF 859837387 583281592 /nfs/dbraw/zinc/28/15/92/583281592.db2.gz CTOSZAYFQNSVJC-SSDOTTSWSA-N 1 1 181.201 2.076 10 0 AEAEMO C[C@H]1CC(F)(F)CC[N@@H+]1CCF 859837388 583281853 /nfs/dbraw/zinc/28/18/53/583281853.db2.gz CTOSZAYFQNSVJC-ZETCQYMHSA-N 1 1 181.201 2.076 10 0 AEAEMO C[C@H]1CC(F)(F)CC[N@H+]1CCF 859837388 583281856 /nfs/dbraw/zinc/28/18/56/583281856.db2.gz CTOSZAYFQNSVJC-ZETCQYMHSA-N 1 1 181.201 2.076 10 0 AEAEMO FCC[N@H+]1CCCC2(CC1)CC2 860073989 583282740 /nfs/dbraw/zinc/28/27/40/583282740.db2.gz UGVCSTHHPWTHIS-UHFFFAOYSA-N 1 1 171.259 2.222 10 0 AEAEMO CCC[N@@H+](C)Cc1ccnc(F)c1C 862215655 583296510 /nfs/dbraw/zinc/29/65/10/583296510.db2.gz BTURQBBJXULLFF-UHFFFAOYSA-N 1 1 196.269 2.371 10 0 AEAEMO Cc1c(C[N@H+](C)C2CC2)ccnc1F 862219674 583296645 /nfs/dbraw/zinc/29/66/45/583296645.db2.gz HQAJVUWQJMFAEN-UHFFFAOYSA-N 1 1 194.253 2.123 10 0 AEAEMO Cc1nc(C[N@@H+]2CCC2(C)C)[nH]c1C 862246023 583296696 /nfs/dbraw/zinc/29/66/96/583296696.db2.gz GIEAOSMYDOAGMB-UHFFFAOYSA-N 1 1 193.294 2.011 10 0 AEAEMO Cc1nc(C[N@H+]2CCC2(C)C)[nH]c1C 862246023 583296697 /nfs/dbraw/zinc/29/66/97/583296697.db2.gz GIEAOSMYDOAGMB-UHFFFAOYSA-N 1 1 193.294 2.011 10 0 AEAEMO CC[N@@H+](Cc1cnc(C)o1)C(C)C 862216290 583296960 /nfs/dbraw/zinc/29/69/60/583296960.db2.gz KOGKRURICCRXAT-UHFFFAOYSA-N 1 1 182.267 2.213 10 0 AEAEMO Cc1cc(C[N@@H+]2C[C@H]3C[C@H]3C2)c(C)o1 862439744 583299218 /nfs/dbraw/zinc/29/92/18/583299218.db2.gz AQGBHQPXMXRTRI-TXEJJXNPSA-N 1 1 191.274 2.348 10 0 AEAEMO CCC1C[NH+](Cc2ccnc(F)c2)C1 862388896 583299532 /nfs/dbraw/zinc/29/95/32/583299532.db2.gz LWUXTHXOLCXTJN-UHFFFAOYSA-N 1 1 194.253 2.063 10 0 AEAEMO C[C@H]1C[C@@H]1CO[NH+]=C(N)C1CCCC1 863454317 583309543 /nfs/dbraw/zinc/30/95/43/583309543.db2.gz UHRZBIFJUGSXAS-WCBMZHEXSA-N 1 1 196.294 2.331 10 0 AEAEMO CCCCC(N)=[NH+]OC[C@@H]1C[C@H]1C 863455537 583309571 /nfs/dbraw/zinc/30/95/71/583309571.db2.gz MDMAXEMLGUUUAX-BDAKNGLRSA-N 1 1 184.283 2.331 10 0 AEAEMO C[C@H]1C[C@H]1CO[NH+]=C(N)C1CCCC1 863454318 583309867 /nfs/dbraw/zinc/30/98/67/583309867.db2.gz UHRZBIFJUGSXAS-WPRPVWTQSA-N 1 1 196.294 2.331 10 0 AEAEMO CCCCC(N)=[NH+]OC[C@H]1C[C@H]1C 863455540 583309902 /nfs/dbraw/zinc/30/99/02/583309902.db2.gz MDMAXEMLGUUUAX-RKDXNWHRSA-N 1 1 184.283 2.331 10 0 AEAEMO CCCCC(N)=[NH+]OC[C@@H]1C[C@@H]1C 863455539 583309930 /nfs/dbraw/zinc/30/99/30/583309930.db2.gz MDMAXEMLGUUUAX-IUCAKERBSA-N 1 1 184.283 2.331 10 0 AEAEMO C[C@@H]1C[C@@H]1CO[NH+]=C(N)C1CCCC1 863454310 583310062 /nfs/dbraw/zinc/31/00/62/583310062.db2.gz UHRZBIFJUGSXAS-PSASIEDQSA-N 1 1 196.294 2.331 10 0 AEAEMO CCCCC(N)=[NH+]OC[C@H]1C[C@@H]1C 863455538 583310124 /nfs/dbraw/zinc/31/01/24/583310124.db2.gz MDMAXEMLGUUUAX-DTWKUNHWSA-N 1 1 184.283 2.331 10 0 AEAEMO C[C@@H]1C[C@H]1CO[NH+]=C(N)C1CCCC1 863454316 583310197 /nfs/dbraw/zinc/31/01/97/583310197.db2.gz UHRZBIFJUGSXAS-SCZZXKLOSA-N 1 1 196.294 2.331 10 0 AEAEMO CCC(CC)N[C@@H]1CC[NH2+]C12CCC2 863482697 583310621 /nfs/dbraw/zinc/31/06/21/583310621.db2.gz KEGLSJZMKKOCJU-LLVKDONJSA-N 1 1 196.338 2.049 10 0 AEAEMO CCCCC[C@H](C)N[C@@H]1CC[NH2+][C@H]1C 863487699 583310627 /nfs/dbraw/zinc/31/06/27/583310627.db2.gz USVWLJRUJKQCKF-SDDRHHMPSA-N 1 1 198.354 2.295 10 0 AEAEMO C[C@@H]1[NH2+]CC[C@H]1N[C@H](C)CC(C)(C)C 863548435 583310663 /nfs/dbraw/zinc/31/06/63/583310663.db2.gz PTTKSQGSMQOVCD-OUAUKWLOSA-N 1 1 198.354 2.151 10 0 AEAEMO Cc1cc(-c2c[nH+]c(C)n2C)ccn1 863974586 583314311 /nfs/dbraw/zinc/31/43/11/583314311.db2.gz JRWSVLCRJRIKKB-UHFFFAOYSA-N 1 1 187.246 2.099 10 0 AEAEMO CCCCC[C@@H](C)N[C@@H]1CC[NH2+][C@H]1C 863487698 583311020 /nfs/dbraw/zinc/31/10/20/583311020.db2.gz USVWLJRUJKQCKF-GRYCIOLGSA-N 1 1 198.354 2.295 10 0 AEAEMO C[C@@H](CC(C)(C)C)N[C@@H]1CC[NH2+][C@H]1C 863548434 583311027 /nfs/dbraw/zinc/31/10/27/583311027.db2.gz PTTKSQGSMQOVCD-GARJFASQSA-N 1 1 198.354 2.151 10 0 AEAEMO CCC(CC)N[C@H]1CC[NH2+]C12CCC2 863482725 583311363 /nfs/dbraw/zinc/31/13/63/583311363.db2.gz KEGLSJZMKKOCJU-NSHDSACASA-N 1 1 196.338 2.049 10 0 AEAEMO Cc1[nH+]ccn1[C@H](C)C(=O)C(C)(C)C 865361748 583324745 /nfs/dbraw/zinc/32/47/45/583324745.db2.gz YKXSKOFLMRSEGP-MRVPVSSYSA-N 1 1 194.278 2.368 10 0 AEAEMO Cc1[nH+]ccn1[C@@H](C)C(=O)C(C)(C)C 865361749 583324896 /nfs/dbraw/zinc/32/48/96/583324896.db2.gz YKXSKOFLMRSEGP-QMMMGPOBSA-N 1 1 194.278 2.368 10 0 AEAEMO CCC[N@@H+]1CC[C@@](CN)(C(C)(C)C)C1 866702735 583332112 /nfs/dbraw/zinc/33/21/12/583332112.db2.gz FVOHWHPIIUVVRX-LBPRGKRZSA-N 1 1 198.354 2.093 10 0 AEAEMO CCC[N@H+]1CC[C@@](CN)(C(C)(C)C)C1 866702735 583332114 /nfs/dbraw/zinc/33/21/14/583332114.db2.gz FVOHWHPIIUVVRX-LBPRGKRZSA-N 1 1 198.354 2.093 10 0 AEAEMO CC(C)[N@@H+]1CC[C@](CN)(C(C)(C)C)C1 866705004 583332329 /nfs/dbraw/zinc/33/23/29/583332329.db2.gz ZDZGGYFOFGWOAA-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)[N@H+]1CC[C@](CN)(C(C)(C)C)C1 866705004 583332331 /nfs/dbraw/zinc/33/23/31/583332331.db2.gz ZDZGGYFOFGWOAA-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[N@@H+]1CC[C@](CN)(C(C)(C)C)C1 866702732 583332385 /nfs/dbraw/zinc/33/23/85/583332385.db2.gz FVOHWHPIIUVVRX-GFCCVEGCSA-N 1 1 198.354 2.093 10 0 AEAEMO CCC[N@H+]1CC[C@](CN)(C(C)(C)C)C1 866702732 583332387 /nfs/dbraw/zinc/33/23/87/583332387.db2.gz FVOHWHPIIUVVRX-GFCCVEGCSA-N 1 1 198.354 2.093 10 0 AEAEMO CC(C)[N@@H+]1CC[C@@](CN)(C(C)(C)C)C1 866705005 583332422 /nfs/dbraw/zinc/33/24/22/583332422.db2.gz ZDZGGYFOFGWOAA-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)[N@H+]1CC[C@@](CN)(C(C)(C)C)C1 866705005 583332424 /nfs/dbraw/zinc/33/24/24/583332424.db2.gz ZDZGGYFOFGWOAA-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(=O)OCc1c(C)cc(C)[nH+]c1C 869315380 583341027 /nfs/dbraw/zinc/34/10/27/583341027.db2.gz YTAUWXFYHNQBKD-UHFFFAOYSA-N 1 1 193.246 2.070 10 0 AEAEMO C[C@H](C1CC1)[N@@H+]1CC=CCC1 17768658 583343077 /nfs/dbraw/zinc/34/30/77/583343077.db2.gz SCYDBMDTDQTEJN-SECBINFHSA-N 1 1 151.253 2.047 10 0 AEAEMO C[C@@H](C1CC1)[N@@H+]1CC=CCC1 17768655 583343381 /nfs/dbraw/zinc/34/33/81/583343381.db2.gz SCYDBMDTDQTEJN-VIFPVBQESA-N 1 1 151.253 2.047 10 0 AEAEMO C1CCC([N@H+]2CC[C@@H]3C[C@@H]32)C1 18918091 583351700 /nfs/dbraw/zinc/35/17/00/583351700.db2.gz WORXVFAOZUSQKW-SCZZXKLOSA-N 1 1 151.253 2.023 10 0 AEAEMO C[C@@H]1C[C@@H]1C(N)=[NH+]OC1CC(C)(C)C1 871759574 583354855 /nfs/dbraw/zinc/35/48/55/583354855.db2.gz QENHNHGCODPUOQ-APPZFPTMSA-N 1 1 196.294 2.329 10 0 AEAEMO C[C@H]1C[C@H]1C(N)=[NH+]OCCCC1CC1 871759927 583354888 /nfs/dbraw/zinc/35/48/88/583354888.db2.gz ZXFLDNCEQKIXLF-WCBMZHEXSA-N 1 1 196.294 2.331 10 0 AEAEMO CC(C)[C@@H](C)O[NH+]=C(N)C1CCC1 871765558 583354916 /nfs/dbraw/zinc/35/49/16/583354916.db2.gz AJQNXHLTINTPKR-MRVPVSSYSA-N 1 1 184.283 2.329 10 0 AEAEMO C[C@@H]1C[C@H]1C(N)=[NH+]OCCCC1CC1 871759925 583355100 /nfs/dbraw/zinc/35/51/00/583355100.db2.gz ZXFLDNCEQKIXLF-PSASIEDQSA-N 1 1 196.294 2.331 10 0 AEAEMO CC(C)[C@H](C)O[NH+]=C(N)C1CCC1 871765559 583355146 /nfs/dbraw/zinc/35/51/46/583355146.db2.gz AJQNXHLTINTPKR-QMMMGPOBSA-N 1 1 184.283 2.329 10 0 AEAEMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCCCC1CC1 871759926 583355336 /nfs/dbraw/zinc/35/53/36/583355336.db2.gz ZXFLDNCEQKIXLF-SCZZXKLOSA-N 1 1 196.294 2.331 10 0 AEAEMO C[C@H]1C[C@H]1C(N)=[NH+]OC1CC(C)(C)C1 871759576 583355395 /nfs/dbraw/zinc/35/53/95/583355395.db2.gz QENHNHGCODPUOQ-IONNQARKSA-N 1 1 196.294 2.329 10 0 AEAEMO C[C@H]1C[C@@H]1C(N)=[NH+]OC1CC(C)(C)C1 871759575 583355413 /nfs/dbraw/zinc/35/54/13/583355413.db2.gz QENHNHGCODPUOQ-CBAPKCEASA-N 1 1 196.294 2.329 10 0 AEAEMO C[C@@H]1C[C@H]1C(N)=[NH+]OC1CC(C)(C)C1 871759577 583355436 /nfs/dbraw/zinc/35/54/36/583355436.db2.gz QENHNHGCODPUOQ-VXNVDRBHSA-N 1 1 196.294 2.329 10 0 AEAEMO C[C@H]1C[C@@H]1C(N)=[NH+]OCCCC1CC1 871759928 583355452 /nfs/dbraw/zinc/35/54/52/583355452.db2.gz ZXFLDNCEQKIXLF-WPRPVWTQSA-N 1 1 196.294 2.331 10 0 AEAEMO CC[N@H+]1CCC[C@@H](OC2CCC2)CC1 872278344 583360948 /nfs/dbraw/zinc/36/09/48/583360948.db2.gz OGWMFDAJNQIPPW-GFCCVEGCSA-N 1 1 197.322 2.430 10 0 AEAEMO CC[N@H+]1CCC[C@H](OC2CCC2)CC1 872278345 583361677 /nfs/dbraw/zinc/36/16/77/583361677.db2.gz OGWMFDAJNQIPPW-LBPRGKRZSA-N 1 1 197.322 2.430 10 0 AEAEMO CCCC[N@@H+](C)C1(CN)CCCCC1 19485173 583369412 /nfs/dbraw/zinc/36/94/12/583369412.db2.gz JJVMGLVEUCCIFV-UHFFFAOYSA-N 1 1 198.354 2.380 10 0 AEAEMO CC[C@@H]1CC[C@@H](C)[N@H+]1CCC(C)=O 124645657 583376111 /nfs/dbraw/zinc/37/61/11/583376111.db2.gz LQRJJWVOHFBDEV-MWLCHTKSSA-N 1 1 183.295 2.228 10 0 AEAEMO CC[C@H]1CC[C@H](C)[N@H+]1CCC(C)=O 124645460 583376286 /nfs/dbraw/zinc/37/62/86/583376286.db2.gz LQRJJWVOHFBDEV-ONGXEEELSA-N 1 1 183.295 2.228 10 0 AEAEMO CC[C@H]1CC[C@@H](C)[N@H+]1CCC(C)=O 124645849 583376381 /nfs/dbraw/zinc/37/63/81/583376381.db2.gz LQRJJWVOHFBDEV-KOLCDFICSA-N 1 1 183.295 2.228 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@H+]1CCC(C)=O 124645225 583376522 /nfs/dbraw/zinc/37/65/22/583376522.db2.gz LQRJJWVOHFBDEV-GXSJLCMTSA-N 1 1 183.295 2.228 10 0 AEAEMO CCCCCC[N@H+]1CCCC[C@H]1CN 20519813 583381736 /nfs/dbraw/zinc/38/17/36/583381736.db2.gz DDQKDYBOVVEPOO-LBPRGKRZSA-N 1 1 198.354 2.380 10 0 AEAEMO CCCCCCN1CCCC[C@H]1C[NH3+] 20519813 583381738 /nfs/dbraw/zinc/38/17/38/583381738.db2.gz DDQKDYBOVVEPOO-LBPRGKRZSA-N 1 1 198.354 2.380 10 0 AEAEMO CCCCCC[N@H+]1CCCC[C@@H]1CN 20519812 583381983 /nfs/dbraw/zinc/38/19/83/583381983.db2.gz DDQKDYBOVVEPOO-GFCCVEGCSA-N 1 1 198.354 2.380 10 0 AEAEMO CCCCCCN1CCCC[C@@H]1C[NH3+] 20519812 583381986 /nfs/dbraw/zinc/38/19/86/583381986.db2.gz DDQKDYBOVVEPOO-GFCCVEGCSA-N 1 1 198.354 2.380 10 0 AEAEMO C[N@@H+](CC1(C)CCCC1)C1(CO)CC1 877641613 583396184 /nfs/dbraw/zinc/39/61/84/583396184.db2.gz BKQYUIFZPLAWMV-UHFFFAOYSA-N 1 1 197.322 2.023 10 0 AEAEMO C1CC1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 877740780 583396855 /nfs/dbraw/zinc/39/68/55/583396855.db2.gz UMVLQPPRHUJKLE-QWRGUYRKSA-N 1 1 197.347 2.081 10 0 AEAEMO FC1(C[N@H+]2C[C@H]3CC=CC[C@H]3C2)CC1 877718764 583397335 /nfs/dbraw/zinc/39/73/35/583397335.db2.gz SMODKKOJDWHRCX-PHIMTYICSA-N 1 1 195.281 2.387 10 0 AEAEMO CC1(C)C[NH+](Cc2ccnc(F)c2)C1 877717082 583397347 /nfs/dbraw/zinc/39/73/47/583397347.db2.gz FXKNLQWVXDEQEW-UHFFFAOYSA-N 1 1 194.253 2.063 10 0 AEAEMO C1CC1C[N@H+]1CC[C@H]2CSC[C@H]2C1 877740782 583397551 /nfs/dbraw/zinc/39/75/51/583397551.db2.gz UMVLQPPRHUJKLE-WDEREUQCSA-N 1 1 197.347 2.081 10 0 AEAEMO C1CC1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 877740779 583397567 /nfs/dbraw/zinc/39/75/67/583397567.db2.gz UMVLQPPRHUJKLE-MNOVXSKESA-N 1 1 197.347 2.081 10 0 AEAEMO C1CC1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 877740777 583397722 /nfs/dbraw/zinc/39/77/22/583397722.db2.gz UMVLQPPRHUJKLE-GHMZBOCLSA-N 1 1 197.347 2.081 10 0 AEAEMO Cc1conc1C[N@@H+]1CCCC[C@@H]1C 877934505 583399721 /nfs/dbraw/zinc/39/97/21/583399721.db2.gz BSMMEXHODUMLMM-JTQLQIEISA-N 1 1 194.278 2.357 10 0 AEAEMO Cc1conc1C[N@@H+]1CCCC[C@H]1C 877934507 583400081 /nfs/dbraw/zinc/40/00/81/583400081.db2.gz BSMMEXHODUMLMM-SNVBAGLBSA-N 1 1 194.278 2.357 10 0 AEAEMO C=C/C=C\CC[N@H+]1CCO[C@H](CC)C1 877956840 583400677 /nfs/dbraw/zinc/40/06/77/583400677.db2.gz ALNFRJVBWSVWCF-FOQNGQEVSA-N 1 1 195.306 2.230 10 0 AEAEMO C=C/C=C/CC[N@H+]1CCO[C@@H](CC)C1 877956841 583400961 /nfs/dbraw/zinc/40/09/61/583400961.db2.gz ALNFRJVBWSVWCF-FYJFLYSWSA-N 1 1 195.306 2.230 10 0 AEAEMO C=C/C=C/CC[N@H+]1CCO[C@H](CC)C1 877956838 583400981 /nfs/dbraw/zinc/40/09/81/583400981.db2.gz ALNFRJVBWSVWCF-BTDICHCPSA-N 1 1 195.306 2.230 10 0 AEAEMO C=C/C=C\CC[N@H+]1CCO[C@@H](CC)C1 877956839 583401287 /nfs/dbraw/zinc/40/12/87/583401287.db2.gz ALNFRJVBWSVWCF-FJOGCWAESA-N 1 1 195.306 2.230 10 0 AEAEMO C=C/C=C\CC[N@H+](C)C[C@@H]1CCCO1 877971942 583401702 /nfs/dbraw/zinc/40/17/02/583401702.db2.gz AFEFDXZCGVTKPX-RXNFCKPNSA-N 1 1 195.306 2.230 10 0 AEAEMO C=C/C=C/CC[N@H+](C)C1CC1 877966145 583401771 /nfs/dbraw/zinc/40/17/71/583401771.db2.gz AYDUGXOECFQAFW-SNAWJCMRSA-N 1 1 151.253 2.213 10 0 AEAEMO C=C/C=C\CC[N@H+](C)C1CC1 877966144 583401927 /nfs/dbraw/zinc/40/19/27/583401927.db2.gz AYDUGXOECFQAFW-PLNGDYQASA-N 1 1 151.253 2.213 10 0 AEAEMO C=C/C=C\CC[N@H+](C)C[C@H]1CCCO1 877971941 583402079 /nfs/dbraw/zinc/40/20/79/583402079.db2.gz AFEFDXZCGVTKPX-QMAVJUDZSA-N 1 1 195.306 2.230 10 0 AEAEMO C=C/C=C/CC[N@H+](C)C[C@H]1CCCO1 877971943 583402227 /nfs/dbraw/zinc/40/22/27/583402227.db2.gz AFEFDXZCGVTKPX-ZYOFXKKJSA-N 1 1 195.306 2.230 10 0 AEAEMO C=C/C=C/CC[N@H+](C)C[C@@H]1CCCO1 877971940 583402234 /nfs/dbraw/zinc/40/22/34/583402234.db2.gz AFEFDXZCGVTKPX-ITKZLYELSA-N 1 1 195.306 2.230 10 0 AEAEMO C=C/C=C/CC[N@@H+]1CCC[C@@H](OC)C1 878046671 583402856 /nfs/dbraw/zinc/40/28/56/583402856.db2.gz HRTVDZSFSRGMCH-ZYOFXKKJSA-N 1 1 195.306 2.230 10 0 AEAEMO C=C/C=C/CC[N@H+](C)CCC 878013412 583402931 /nfs/dbraw/zinc/40/29/31/583402931.db2.gz GSVJWPQMLHOOSR-VOTSOKGWSA-N 1 1 153.269 2.461 10 0 AEAEMO C=C/C=C\CC[N@@H+]1CCC[C@@H](OC)C1 878046669 583403989 /nfs/dbraw/zinc/40/39/89/583403989.db2.gz HRTVDZSFSRGMCH-QMAVJUDZSA-N 1 1 195.306 2.230 10 0 AEAEMO C=C/C=C/CC[N@@H+]1CCC[C@H](OC)C1 878046668 583404149 /nfs/dbraw/zinc/40/41/49/583404149.db2.gz HRTVDZSFSRGMCH-ITKZLYELSA-N 1 1 195.306 2.230 10 0 AEAEMO C=C/C=C\CC[N@@H+]1CCC[C@H](OC)C1 878046670 583404473 /nfs/dbraw/zinc/40/44/73/583404473.db2.gz HRTVDZSFSRGMCH-RXNFCKPNSA-N 1 1 195.306 2.230 10 0 AEAEMO C=C/C=C/CC[N@@H+](C)Cc1ccon1 878124099 583405512 /nfs/dbraw/zinc/40/55/12/583405512.db2.gz GJVQIVFPXDRABX-SNAWJCMRSA-N 1 1 192.262 2.239 10 0 AEAEMO C=C/C=C/CC[N@H+](C)Cc1ccon1 878124099 583405513 /nfs/dbraw/zinc/40/55/13/583405513.db2.gz GJVQIVFPXDRABX-SNAWJCMRSA-N 1 1 192.262 2.239 10 0 AEAEMO C=C/C=C\CC[N@@H+](C)Cc1ccon1 878124098 583405535 /nfs/dbraw/zinc/40/55/35/583405535.db2.gz GJVQIVFPXDRABX-PLNGDYQASA-N 1 1 192.262 2.239 10 0 AEAEMO C=C/C=C\CC[N@H+](C)Cc1ccon1 878124098 583405536 /nfs/dbraw/zinc/40/55/36/583405536.db2.gz GJVQIVFPXDRABX-PLNGDYQASA-N 1 1 192.262 2.239 10 0 AEAEMO C=C/C=C\CC[N@H+](C)C[C@@H]1CCOC1 878167117 583405935 /nfs/dbraw/zinc/40/59/35/583405935.db2.gz AVXNDOXGVUDAOF-RXNFCKPNSA-N 1 1 195.306 2.087 10 0 AEAEMO C=C/C=C\CC[N@H+](C)C[C@H]1CCOC1 878167115 583405942 /nfs/dbraw/zinc/40/59/42/583405942.db2.gz AVXNDOXGVUDAOF-QMAVJUDZSA-N 1 1 195.306 2.087 10 0 AEAEMO C=C/C=C/CC[N@H+](C)C[C@@H]1CCOC1 878167114 583406434 /nfs/dbraw/zinc/40/64/34/583406434.db2.gz AVXNDOXGVUDAOF-ITKZLYELSA-N 1 1 195.306 2.087 10 0 AEAEMO C(CC1CC1)C[N@H+]1C[C@@H]2CC[C@H](C1)O2 878151651 583406563 /nfs/dbraw/zinc/40/65/63/583406563.db2.gz BOTPDWNUTOCINE-TXEJJXNPSA-N 1 1 195.306 2.040 10 0 AEAEMO C=C/C=C/CC[N@H+](C)C[C@H]1CCOC1 878167118 583406687 /nfs/dbraw/zinc/40/66/87/583406687.db2.gz AVXNDOXGVUDAOF-ZYOFXKKJSA-N 1 1 195.306 2.087 10 0 AEAEMO C=C/C=C/CC[N@@H+]1CCO[C@H](C)[C@H]1C 878196598 583407220 /nfs/dbraw/zinc/40/72/20/583407220.db2.gz GSLYWZHPKRTYAG-IEVRTODYSA-N 1 1 195.306 2.228 10 0 AEAEMO C=C/C=C\CC[N@@H+]1CCO[C@H](C)[C@@H]1C 878196595 583407449 /nfs/dbraw/zinc/40/74/49/583407449.db2.gz GSLYWZHPKRTYAG-ABZJQCSKSA-N 1 1 195.306 2.228 10 0 AEAEMO C=C/C=C\CC[N@@H+]1CCO[C@H](C)[C@H]1C 878196597 583407697 /nfs/dbraw/zinc/40/76/97/583407697.db2.gz GSLYWZHPKRTYAG-GKKDLHFNSA-N 1 1 195.306 2.228 10 0 AEAEMO C=C/C=C/CC[N@@H+]1CCO[C@H](C)[C@@H]1C 878196596 583407832 /nfs/dbraw/zinc/40/78/32/583407832.db2.gz GSLYWZHPKRTYAG-CYLBZQBVSA-N 1 1 195.306 2.228 10 0 AEAEMO C=C/C=C/CC[N@H+](C)C1(COC)CC1 878317073 583408495 /nfs/dbraw/zinc/40/84/95/583408495.db2.gz FFFMQHKHXMNRNA-AATRIKPKSA-N 1 1 195.306 2.230 10 0 AEAEMO C=C/C=C/CC[N@H+]1CC[C@@H]2C[C@@H]21 878317248 583408584 /nfs/dbraw/zinc/40/85/84/583408584.db2.gz OSNSVKRCHUDFHF-YHROSDCASA-N 1 1 163.264 2.213 10 0 AEAEMO C(CC1CC1)C[N@H+]1CC[C@@H]2C[C@@H]21 878317871 583408615 /nfs/dbraw/zinc/40/86/15/583408615.db2.gz TUOMTYYUCRDEQX-MNOVXSKESA-N 1 1 165.280 2.271 10 0 AEAEMO C=C/C=C\CC[N@H+]1CC[C@@H]2C[C@@H]21 878317247 583408633 /nfs/dbraw/zinc/40/86/33/583408633.db2.gz OSNSVKRCHUDFHF-CJOPTALJSA-N 1 1 163.264 2.213 10 0 AEAEMO C(CC1CC1)C[N@H+]1CC[C@H]2C[C@H]21 878317873 583408666 /nfs/dbraw/zinc/40/86/66/583408666.db2.gz TUOMTYYUCRDEQX-WDEREUQCSA-N 1 1 165.280 2.271 10 0 AEAEMO C=C/C=C\CC[N@H+](C)C1(COC)CC1 878317074 583409038 /nfs/dbraw/zinc/40/90/38/583409038.db2.gz FFFMQHKHXMNRNA-WAYWQWQTSA-N 1 1 195.306 2.230 10 0 AEAEMO C=C/C=C/CC[N@H+](C)CCOCC 878339599 583409340 /nfs/dbraw/zinc/40/93/40/583409340.db2.gz DFFJTDIZNWVKOB-VOTSOKGWSA-N 1 1 183.295 2.087 10 0 AEAEMO C=C/C=C\CC[N@H+](C)CCOCC 878339598 583409619 /nfs/dbraw/zinc/40/96/19/583409619.db2.gz DFFJTDIZNWVKOB-SREVYHEPSA-N 1 1 183.295 2.087 10 0 AEAEMO C=C/C=C/CC[N@H+](C)C(C)(C)COC 878643108 583412713 /nfs/dbraw/zinc/41/27/13/583412713.db2.gz BOXLBYBHDXNGMK-BQYQJAHWSA-N 1 1 197.322 2.476 10 0 AEAEMO C=C/C=C/CC[N@@H+]1C[C@H](C)[C@H]1C 878652069 583412854 /nfs/dbraw/zinc/41/28/54/583412854.db2.gz KOSZHDLQRGKKBK-PFDYWKIBSA-N 1 1 165.280 2.459 10 0 AEAEMO C=C/C=C\CC[N@@H+]1C[C@H](C)[C@@H]1C 878652068 583412864 /nfs/dbraw/zinc/41/28/64/583412864.db2.gz KOSZHDLQRGKKBK-OBOPVNRVSA-N 1 1 165.280 2.459 10 0 AEAEMO C=C/C=C\CC[N@@H+]1C[C@H](C)[C@H]1C 878652071 583413061 /nfs/dbraw/zinc/41/30/61/583413061.db2.gz KOSZHDLQRGKKBK-TUISVCKWSA-N 1 1 165.280 2.459 10 0 AEAEMO C=C/C=C/CC[N@@H+]1C[C@H](C)[C@@H]1C 878652070 583413064 /nfs/dbraw/zinc/41/30/64/583413064.db2.gz KOSZHDLQRGKKBK-PZIAFJOJSA-N 1 1 165.280 2.459 10 0 AEAEMO C=C/C=C\CC[N@H+](C)C(C)(C)COC 878643109 583413133 /nfs/dbraw/zinc/41/31/33/583413133.db2.gz BOXLBYBHDXNGMK-FPLPWBNLSA-N 1 1 197.322 2.476 10 0 AEAEMO FCCC[N@H+]1CCC=C(Cl)C1 878791976 583414113 /nfs/dbraw/zinc/41/41/13/583414113.db2.gz IAKPGGDZJFRPLP-UHFFFAOYSA-N 1 1 177.650 2.174 10 0 AEAEMO CCCCCC[N@H+]1CC[C@H](N(C)C)C1 878922265 583415602 /nfs/dbraw/zinc/41/56/02/583415602.db2.gz RAWRMVGTYPTTST-LBPRGKRZSA-N 1 1 198.354 2.203 10 0 AEAEMO CCCCCCN1CC[C@H]([NH+](C)C)C1 878922265 583415605 /nfs/dbraw/zinc/41/56/05/583415605.db2.gz RAWRMVGTYPTTST-LBPRGKRZSA-N 1 1 198.354 2.203 10 0 AEAEMO CCCCCC[N@H+]1CC[C@@H](N(C)C)C1 878922264 583415692 /nfs/dbraw/zinc/41/56/92/583415692.db2.gz RAWRMVGTYPTTST-GFCCVEGCSA-N 1 1 198.354 2.203 10 0 AEAEMO CCCCCCN1CC[C@@H]([NH+](C)C)C1 878922264 583415693 /nfs/dbraw/zinc/41/56/93/583415693.db2.gz RAWRMVGTYPTTST-GFCCVEGCSA-N 1 1 198.354 2.203 10 0 AEAEMO CCC[N@H+]1CC[C@@H]2CSC[C@@H]2C1 879557977 583419898 /nfs/dbraw/zinc/41/98/98/583419898.db2.gz LPQBRAYYXXIBPT-ZJUUUORDSA-N 1 1 185.336 2.081 10 0 AEAEMO CCC[N@H+]1CC[C@H]2CSC[C@@H]2C1 879557973 583419752 /nfs/dbraw/zinc/41/97/52/583419752.db2.gz LPQBRAYYXXIBPT-UWVGGRQHSA-N 1 1 185.336 2.081 10 0 AEAEMO CCC[N@H+]1CC[C@H]2CSC[C@H]2C1 879557976 583420404 /nfs/dbraw/zinc/42/04/04/583420404.db2.gz LPQBRAYYXXIBPT-VHSXEESVSA-N 1 1 185.336 2.081 10 0 AEAEMO CCC[N@H+]1CC[C@@H]2CSC[C@H]2C1 879557970 583420837 /nfs/dbraw/zinc/42/08/37/583420837.db2.gz LPQBRAYYXXIBPT-NXEZZACHSA-N 1 1 185.336 2.081 10 0 AEAEMO C[C@@]1(C(F)(F)F)CC[N@H+](CCF)C1 880002782 583424597 /nfs/dbraw/zinc/42/45/97/583424597.db2.gz QKZHQJSMJQJPLI-SSDOTTSWSA-N 1 1 199.191 2.230 10 0 AEAEMO C[C@@]1(C(F)(F)F)CC[N@@H+](CCF)C1 880002782 583424599 /nfs/dbraw/zinc/42/45/99/583424599.db2.gz QKZHQJSMJQJPLI-SSDOTTSWSA-N 1 1 199.191 2.230 10 0 AEAEMO C[C@]1(C(F)(F)F)CC[N@H+](CCF)C1 880002783 583424703 /nfs/dbraw/zinc/42/47/03/583424703.db2.gz QKZHQJSMJQJPLI-ZETCQYMHSA-N 1 1 199.191 2.230 10 0 AEAEMO C[C@]1(C(F)(F)F)CC[N@@H+](CCF)C1 880002783 583424705 /nfs/dbraw/zinc/42/47/05/583424705.db2.gz QKZHQJSMJQJPLI-ZETCQYMHSA-N 1 1 199.191 2.230 10 0 AEAEMO C[C@@H]1CC[C@H](CO)[N@H+]1CCC1CCC1 880435073 583431806 /nfs/dbraw/zinc/43/18/06/583431806.db2.gz LCRHGTHZAVBBDX-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1CC[C@H](CO)[N@H+]1CCC(C)(C)C 880443651 583432411 /nfs/dbraw/zinc/43/24/11/583432411.db2.gz JICGBIPAVFODJO-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H]1CC[C@H](CO)[N@H+]1CC1CCCC1 880439849 583432432 /nfs/dbraw/zinc/43/24/32/583432432.db2.gz LTDHNODZWWOEQB-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)=CCC[N@H+]1[C@H](C)CC[C@@H]1CO 880435824 583432520 /nfs/dbraw/zinc/43/25/20/583432520.db2.gz VMZYWFLOBMINPG-VXGBXAGGSA-N 1 1 197.322 2.188 10 0 AEAEMO C[C@@H]1CC[C@H](CO)[N@H+]1CCCC1CC1 880435721 583432595 /nfs/dbraw/zinc/43/25/95/583432595.db2.gz VCQRZJMZRHBBGO-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC(C)(C)CC[N@H+]1CC=C[C@H]1CO 880486919 583433762 /nfs/dbraw/zinc/43/37/62/583433762.db2.gz QRQQWSHMLWWLOS-NSHDSACASA-N 1 1 197.322 2.045 10 0 AEAEMO CCC(C)(C)CC[N@H+]1CC=C[C@@H]1CO 880486918 583434263 /nfs/dbraw/zinc/43/42/63/583434263.db2.gz QRQQWSHMLWWLOS-LLVKDONJSA-N 1 1 197.322 2.045 10 0 AEAEMO CC(C)(C)CCC[N@H+]1CC=C[C@H]1CO 880488500 583434761 /nfs/dbraw/zinc/43/47/61/583434761.db2.gz GMBKESQNYFEEOQ-NSHDSACASA-N 1 1 197.322 2.045 10 0 AEAEMO CC(C)(C)CCC[N@H+]1CC=C[C@@H]1CO 880488499 583435049 /nfs/dbraw/zinc/43/50/49/583435049.db2.gz GMBKESQNYFEEOQ-LLVKDONJSA-N 1 1 197.322 2.045 10 0 AEAEMO CC/C=C/CC[N@H+]1C[C@@H](O)CC[C@H]1C 880522319 583436634 /nfs/dbraw/zinc/43/66/34/583436634.db2.gz AINHACLKYCCAOD-RVAOTSRCSA-N 1 1 197.322 2.188 10 0 AEAEMO CC/C=C\CC[N@H+]1C[C@@H](O)CC[C@H]1C 880522318 583436755 /nfs/dbraw/zinc/43/67/55/583436755.db2.gz AINHACLKYCCAOD-JYYSYOFASA-N 1 1 197.322 2.188 10 0 AEAEMO CCCCOc1cc(N)c(C)c[nH+]1 133360142 583471828 /nfs/dbraw/zinc/47/18/28/583471828.db2.gz YVLIKSDUCLDVHL-UHFFFAOYSA-N 1 1 180.251 2.151 10 0 AEAEMO CC(=O)CC[N@H+]1CC[C@@H]2CCCC[C@@H]21 133911178 583473939 /nfs/dbraw/zinc/47/39/39/583473939.db2.gz NBEIHHIUORDKMQ-RYUDHWBXSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[N@@H+](C[C@H]1C[C@]12CCOC2)C(C)C 885963403 583488871 /nfs/dbraw/zinc/48/88/71/583488871.db2.gz NAVSTWFLKUJZHX-NEPJUHHUSA-N 1 1 197.322 2.143 10 0 AEAEMO CCC[N@@H+](CC)C[C@@H]1C[C@@]12CCOC2 885967002 583488907 /nfs/dbraw/zinc/48/89/07/583488907.db2.gz GAIJVUQKENQDAV-NWDGAFQWSA-N 1 1 197.322 2.145 10 0 AEAEMO CCC[N@@H+](CC)C[C@H]1C[C@@]12CCOC2 885967004 583488924 /nfs/dbraw/zinc/48/89/24/583488924.db2.gz GAIJVUQKENQDAV-VXGBXAGGSA-N 1 1 197.322 2.145 10 0 AEAEMO CC[N@@H+](C[C@H]1C[C@@]12CCOC2)C(C)C 885963407 583488927 /nfs/dbraw/zinc/48/89/27/583488927.db2.gz NAVSTWFLKUJZHX-VXGBXAGGSA-N 1 1 197.322 2.143 10 0 AEAEMO CCC[N@@H+](C)C[C@H]1CC[C@@H](C2CC2)O1 885970835 583489093 /nfs/dbraw/zinc/48/90/93/583489093.db2.gz LOBFDCMLAWBYOD-NEPJUHHUSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[N@@H+](C[C@@H]1C[C@@]12CCOC2)C(C)C 885963404 583489122 /nfs/dbraw/zinc/48/91/22/583489122.db2.gz NAVSTWFLKUJZHX-NWDGAFQWSA-N 1 1 197.322 2.143 10 0 AEAEMO CCC[N@@H+](CC)C[C@H]1C[C@]12CCOC2 885967001 583489156 /nfs/dbraw/zinc/48/91/56/583489156.db2.gz GAIJVUQKENQDAV-NEPJUHHUSA-N 1 1 197.322 2.145 10 0 AEAEMO CC[N@@H+](C[C@@H]1C[C@]12CCOC2)C(C)C 885963406 583489206 /nfs/dbraw/zinc/48/92/06/583489206.db2.gz NAVSTWFLKUJZHX-RYUDHWBXSA-N 1 1 197.322 2.143 10 0 AEAEMO C[N@@H+](C[C@H]1CC[C@@H](C2CC2)O1)C1CC1 885956183 583489247 /nfs/dbraw/zinc/48/92/47/583489247.db2.gz LGPNFEFUTJYTAX-NEPJUHHUSA-N 1 1 195.306 2.038 10 0 AEAEMO COCC[N@@H+](C)CC[C@@H]1C[C@H]1C1CC1 885962558 583489261 /nfs/dbraw/zinc/48/92/61/583489261.db2.gz BJRGQOMXKLTSAC-NEPJUHHUSA-N 1 1 197.322 2.001 10 0 AEAEMO CCC[N@@H+](C)C[C@@H]1CC[C@@H](C2CC2)O1 885970837 583489366 /nfs/dbraw/zinc/48/93/66/583489366.db2.gz LOBFDCMLAWBYOD-RYUDHWBXSA-N 1 1 197.322 2.286 10 0 AEAEMO CCC[N@@H+](CC)C[C@@H]1C[C@]12CCOC2 885967003 583489374 /nfs/dbraw/zinc/48/93/74/583489374.db2.gz GAIJVUQKENQDAV-RYUDHWBXSA-N 1 1 197.322 2.145 10 0 AEAEMO CCC[N@@H+](C)C[C@@H]1CC[C@H](C2CC2)O1 885970836 583489389 /nfs/dbraw/zinc/48/93/89/583489389.db2.gz LOBFDCMLAWBYOD-NWDGAFQWSA-N 1 1 197.322 2.286 10 0 AEAEMO CCC[N@@H+](C)C[C@H]1CC[C@H](C2CC2)O1 885970838 583489425 /nfs/dbraw/zinc/48/94/25/583489425.db2.gz LOBFDCMLAWBYOD-VXGBXAGGSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@H+]1C[C@H](O)C1CC1 136460968 583489460 /nfs/dbraw/zinc/48/94/60/583489460.db2.gz VFTALHCRHZZXFC-WCQGTBRESA-N 1 1 197.322 2.020 10 0 AEAEMO CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@H](O)C1CC1 136461048 583489816 /nfs/dbraw/zinc/48/98/16/583489816.db2.gz VFTALHCRHZZXFC-JLLWLGSASA-N 1 1 197.322 2.020 10 0 AEAEMO C[N@@H+](C[C@H]1C[C@]12CCOC2)C(C)(C)C 886265609 583493435 /nfs/dbraw/zinc/49/34/35/583493435.db2.gz MLHSOPQJFKEHCB-PWSUYJOCSA-N 1 1 197.322 2.143 10 0 AEAEMO C[N@@H+](C[C@H]1C[C@@]12CCOC2)C(C)(C)C 886265610 583493682 /nfs/dbraw/zinc/49/36/82/583493682.db2.gz MLHSOPQJFKEHCB-ZYHUDNBSSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)Cc1n[nH]cc1C 886274372 583493788 /nfs/dbraw/zinc/49/37/88/583493788.db2.gz RJRBMWATKGNLCO-SNVBAGLBSA-N 1 1 195.310 2.339 10 0 AEAEMO CC[C@@H](C)[N@H+](CC)Cc1[nH]ncc1C 886274372 583493792 /nfs/dbraw/zinc/49/37/92/583493792.db2.gz RJRBMWATKGNLCO-SNVBAGLBSA-N 1 1 195.310 2.339 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)Cc1[nH]ncc1C 886274372 583493794 /nfs/dbraw/zinc/49/37/94/583493794.db2.gz RJRBMWATKGNLCO-SNVBAGLBSA-N 1 1 195.310 2.339 10 0 AEAEMO C[N@@H+](C[C@@H]1C[C@@]12CCOC2)C(C)(C)C 886265607 583493933 /nfs/dbraw/zinc/49/39/33/583493933.db2.gz MLHSOPQJFKEHCB-CMPLNLGQSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)Cc1n[nH]cc1C 886274371 583494121 /nfs/dbraw/zinc/49/41/21/583494121.db2.gz RJRBMWATKGNLCO-JTQLQIEISA-N 1 1 195.310 2.339 10 0 AEAEMO CC[C@H](C)[N@H+](CC)Cc1[nH]ncc1C 886274371 583494125 /nfs/dbraw/zinc/49/41/25/583494125.db2.gz RJRBMWATKGNLCO-JTQLQIEISA-N 1 1 195.310 2.339 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)Cc1[nH]ncc1C 886274371 583494126 /nfs/dbraw/zinc/49/41/26/583494126.db2.gz RJRBMWATKGNLCO-JTQLQIEISA-N 1 1 195.310 2.339 10 0 AEAEMO F[C@@H]1CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 886222905 583494169 /nfs/dbraw/zinc/49/41/69/583494169.db2.gz CXUBNLZCIDVVGC-UTUOFQBUSA-N 1 1 197.297 2.466 10 0 AEAEMO F[C@H]1CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 886222906 583494240 /nfs/dbraw/zinc/49/42/40/583494240.db2.gz CXUBNLZCIDVVGC-WOPDTQHZSA-N 1 1 197.297 2.466 10 0 AEAEMO C[N@@H+](C[C@@H]1C[C@]12CCOC2)C(C)(C)C 886265608 583494430 /nfs/dbraw/zinc/49/44/30/583494430.db2.gz MLHSOPQJFKEHCB-JQWIXIFHSA-N 1 1 197.322 2.143 10 0 AEAEMO CCC[C@@H](C)[N@@H+]1C[C@H]2C[C@H]2C1 886346409 583496236 /nfs/dbraw/zinc/49/62/36/583496236.db2.gz HSENARDZYXSGMV-BBBLOLIVSA-N 1 1 153.269 2.127 10 0 AEAEMO CC(C)SCC[N@@H+]1C[C@H]2C[C@H]2C1 886346374 583496606 /nfs/dbraw/zinc/49/66/06/583496606.db2.gz HGQRVAPZEUFWEV-AOOOYVTPSA-N 1 1 185.336 2.080 10 0 AEAEMO CCC[C@H](C)[N@@H+]1C[C@H]2C[C@H]2C1 886346412 583496615 /nfs/dbraw/zinc/49/66/15/583496615.db2.gz HSENARDZYXSGMV-LPEHRKFASA-N 1 1 153.269 2.127 10 0 AEAEMO CC(C)(C)OCCC[N@@H+]1C[C@H]2C[C@H]2C1 886335798 583496622 /nfs/dbraw/zinc/49/66/22/583496622.db2.gz IDMUXMGEOXKWMZ-PHIMTYICSA-N 1 1 197.322 2.143 10 0 AEAEMO CC(C)=CCC[N@@H+]1C[C@H]2C[C@H]2C1 886347882 583496824 /nfs/dbraw/zinc/49/68/24/583496824.db2.gz BEGIXHSVANTPOH-PHIMTYICSA-N 1 1 165.280 2.294 10 0 AEAEMO FCCCCC[N@@H+]1C[C@H]2C[C@H]2C1 886347904 583496982 /nfs/dbraw/zinc/49/69/82/583496982.db2.gz BRPNQBJFWMJSOM-AOOOYVTPSA-N 1 1 171.259 2.078 10 0 AEAEMO C1CC(CC[N@@H+]2C[C@H]3C[C@H]3C2)C1 886348161 583497089 /nfs/dbraw/zinc/49/70/89/583497089.db2.gz HLUVHHKYQGQLEB-PHIMTYICSA-N 1 1 165.280 2.128 10 0 AEAEMO C1CC1[C@@H]1C[C@H]1CC[N@@H+]1C[C@H]2C[C@H]2C1 886349094 583497843 /nfs/dbraw/zinc/49/78/43/583497843.db2.gz YDFGIRUPDAPADJ-NDBYEHHHSA-N 1 1 191.318 2.374 10 0 AEAEMO CCCCC[N@H+]1CCNCCC1(C)C 219729214 583499630 /nfs/dbraw/zinc/49/96/30/583499630.db2.gz SRUAHVCCRISEEG-UHFFFAOYSA-N 1 1 198.354 2.251 10 0 AEAEMO CC(C)CC[N@H+]1CCNCCC1(C)C 219729115 583499734 /nfs/dbraw/zinc/49/97/34/583499734.db2.gz JZFIWGMEYMQOEG-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 886822374 583501540 /nfs/dbraw/zinc/50/15/40/583501540.db2.gz PWMFYPYWEUOOAB-SRVKXCTJSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 886822375 583501731 /nfs/dbraw/zinc/50/17/31/583501731.db2.gz PWMFYPYWEUOOAB-TUAOUCFPSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 886822372 583501743 /nfs/dbraw/zinc/50/17/43/583501743.db2.gz PWMFYPYWEUOOAB-QJPTWQEYSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@H]([C@H]2CCCO2)C1 886822373 583501789 /nfs/dbraw/zinc/50/17/89/583501789.db2.gz PWMFYPYWEUOOAB-SDDRHHMPSA-N 1 1 197.322 2.286 10 0 AEAEMO C=C/C=C\CC[N@H+](C)CCC 221112937 583503929 /nfs/dbraw/zinc/50/39/29/583503929.db2.gz GSVJWPQMLHOOSR-SREVYHEPSA-N 1 1 153.269 2.461 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](CCO)C1CCC1 221545325 583504765 /nfs/dbraw/zinc/50/47/65/583504765.db2.gz RJMOOBGOOYGKKP-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@H](C)C[N@@H+](CCO)C1CCC1 221545376 583505064 /nfs/dbraw/zinc/50/50/64/583505064.db2.gz RJMOOBGOOYGKKP-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)C[C@H](N)C[NH2+]C1CCCCC1 40397708 490014140 /nfs/dbraw/zinc/01/41/40/490014140.db2.gz WPLKLADXSFXWIP-NSHDSACASA-N 1 1 198.354 2.282 10 0 AEAEMO CC(C)C[C@@H](N)C[NH2+]C1CCCCC1 40397710 490014312 /nfs/dbraw/zinc/01/43/12/490014312.db2.gz WPLKLADXSFXWIP-LLVKDONJSA-N 1 1 198.354 2.282 10 0 AEAEMO CC(C)n1c[nH+]c2c1CCCC2 76087958 490023426 /nfs/dbraw/zinc/02/34/26/490023426.db2.gz FPZGFEUZHHNPLG-UHFFFAOYSA-N 1 1 164.252 2.343 10 0 AEAEMO Cc1[nH+]cn(Cc2cncs2)c1C 123908093 490029493 /nfs/dbraw/zinc/02/94/93/490029493.db2.gz HRXUOYVDUNRJMP-UHFFFAOYSA-N 1 1 193.275 2.005 10 0 AEAEMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 124585730 490031366 /nfs/dbraw/zinc/03/13/66/490031366.db2.gz ZPFQLFZNHSNJHV-TUAOUCFPSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC1([NH2+]Cc2cn[nH]c2C)CCC1 129067737 490048282 /nfs/dbraw/zinc/04/82/82/490048282.db2.gz SIZOHIYIODFRKE-UHFFFAOYSA-N 1 1 193.294 2.140 10 0 AEAEMO CC(C)[N@H+]1CC[C@H](C)[C@@H](F)C1 218971021 490070962 /nfs/dbraw/zinc/07/09/62/490070962.db2.gz XWQHJBCQXDUAGX-IUCAKERBSA-N 1 1 159.248 2.075 10 0 AEAEMO CC(C)[N@H+]1CC[C@@H](C)[C@@H](F)C1 218970987 490071010 /nfs/dbraw/zinc/07/10/10/490071010.db2.gz XWQHJBCQXDUAGX-BDAKNGLRSA-N 1 1 159.248 2.075 10 0 AEAEMO CCCCC[N@H+]1C[C@H](C)O[C@H](C)C1 219946968 490073736 /nfs/dbraw/zinc/07/37/36/490073736.db2.gz CTLUZECDUNXQDO-PHIMTYICSA-N 1 1 185.311 2.286 10 0 AEAEMO CCC[N@@H+](C)Cc1cc(C)ccn1 219940155 490073753 /nfs/dbraw/zinc/07/37/53/490073753.db2.gz AMBKJPJQVRENQK-UHFFFAOYSA-N 1 1 178.279 2.232 10 0 AEAEMO CCC[N@H+]1CC[C@@H](C(C)C)C1 221245334 490079165 /nfs/dbraw/zinc/07/91/65/490079165.db2.gz APBGTUXBBGULJN-SNVBAGLBSA-N 1 1 155.285 2.374 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)C[C@@H](N)CC(C)C 222066569 490080772 /nfs/dbraw/zinc/08/07/72/490080772.db2.gz VZTMFHHHFUAKRG-MNOVXSKESA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@H](C)N(C)C[C@@H]([NH3+])CC(C)C 222066569 490080774 /nfs/dbraw/zinc/08/07/74/490080774.db2.gz VZTMFHHHFUAKRG-MNOVXSKESA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C)[N@@H+](C)C[C@@H](N)CC(C)C 222066619 490080788 /nfs/dbraw/zinc/08/07/88/490080788.db2.gz VZTMFHHHFUAKRG-QWRGUYRKSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C)N(C)C[C@@H]([NH3+])CC(C)C 222066619 490080790 /nfs/dbraw/zinc/08/07/90/490080790.db2.gz VZTMFHHHFUAKRG-QWRGUYRKSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[C@H](C)C[N@H+]1C[C@@H](C)NC[C@@H]1C 223619197 490082467 /nfs/dbraw/zinc/08/24/67/490082467.db2.gz HJVKODGTCBJIIQ-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)CN1C[C@@H](C)[NH2+]C[C@@H]1C 223619197 490082471 /nfs/dbraw/zinc/08/24/71/490082471.db2.gz HJVKODGTCBJIIQ-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H](O)C[N@H+]1CC[C@@H](C(C)C)C1 230285205 490083996 /nfs/dbraw/zinc/08/39/96/490083996.db2.gz GLJPSASMMWZKNI-VXGBXAGGSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](O)C[N@H+]1CC[C@@H](C(C)C)C1 230285209 490084253 /nfs/dbraw/zinc/08/42/53/490084253.db2.gz GLJPSASMMWZKNI-NEPJUHHUSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@@H](C)C[N@@H+]1CC[C@](C)(CN)C1 300353146 490092521 /nfs/dbraw/zinc/09/25/21/490092521.db2.gz UNRJWZNEQDDRJX-VXGBXAGGSA-N 1 1 198.354 2.093 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CC[C@](C)(CN)C1 300353146 490092523 /nfs/dbraw/zinc/09/25/23/490092523.db2.gz UNRJWZNEQDDRJX-VXGBXAGGSA-N 1 1 198.354 2.093 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCC[C@H](CCO)C1 300332688 490092621 /nfs/dbraw/zinc/09/26/21/490092621.db2.gz CYMSXUKXUTXAMX-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@H](C)C[N@@H+]1CC[C@](C)(CN)C1 300353145 490092730 /nfs/dbraw/zinc/09/27/30/490092730.db2.gz UNRJWZNEQDDRJX-NWDGAFQWSA-N 1 1 198.354 2.093 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@](C)(CN)C1 300353145 490092732 /nfs/dbraw/zinc/09/27/32/490092732.db2.gz UNRJWZNEQDDRJX-NWDGAFQWSA-N 1 1 198.354 2.093 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCC[C@H](CCO)C1 300332689 490092778 /nfs/dbraw/zinc/09/27/78/490092778.db2.gz CYMSXUKXUTXAMX-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO C[N@@H+](CCCO)CCCC(C)(C)C 300875557 490107057 /nfs/dbraw/zinc/10/70/57/490107057.db2.gz YDLROVPPGJYABW-UHFFFAOYSA-N 1 1 187.327 2.127 10 0 AEAEMO C[N@@H+](C[C@H]1CCC[C@H](O)C1)C1CCC1 306150481 490115150 /nfs/dbraw/zinc/11/51/50/490115150.db2.gz CRVGCLKWCSLSMJ-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@@H+](C[C@@H]1CCC[C@H](O)C1)C1CCC1 306150484 490115177 /nfs/dbraw/zinc/11/51/77/490115177.db2.gz CRVGCLKWCSLSMJ-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@@H+](C[C@@H]1CCC[C@@H](O)C1)C1CCC1 306150486 490115212 /nfs/dbraw/zinc/11/52/12/490115212.db2.gz CRVGCLKWCSLSMJ-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@@H+](C[C@H]1CCC[C@@H](O)C1)C1CCC1 306150479 490115260 /nfs/dbraw/zinc/11/52/60/490115260.db2.gz CRVGCLKWCSLSMJ-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H](C)C[N@H+]1C[C@@H](C)[C@@H]1C 307372927 490131481 /nfs/dbraw/zinc/13/14/81/490131481.db2.gz RKXLMEYABHDSDU-AEJSXWLSSA-N 1 1 155.285 2.373 10 0 AEAEMO CC[C@H](C)C[N@H+]1C[C@H](C)[C@@H]1C 307372928 490131528 /nfs/dbraw/zinc/13/15/28/490131528.db2.gz RKXLMEYABHDSDU-GUBZILKMSA-N 1 1 155.285 2.373 10 0 AEAEMO CC[C@H](C)C[N@H+]1C[C@@H](C)[C@H]1C 307372929 490131581 /nfs/dbraw/zinc/13/15/81/490131581.db2.gz RKXLMEYABHDSDU-IVZWLZJFSA-N 1 1 155.285 2.373 10 0 AEAEMO CC[C@H](C)C[N@H+]1C[C@H](C)[C@H]1C 307372930 490131595 /nfs/dbraw/zinc/13/15/95/490131595.db2.gz RKXLMEYABHDSDU-LPEHRKFASA-N 1 1 155.285 2.373 10 0 AEAEMO CCC1C[NH+](Cc2ccncc2F)C1 334521310 490133159 /nfs/dbraw/zinc/13/31/59/490133159.db2.gz BAFGSAMMLXPELE-UHFFFAOYSA-N 1 1 194.253 2.063 10 0 AEAEMO Cc1cc(N[C@@H]2CC23CC3)nc(C)[nH+]1 335105942 490134997 /nfs/dbraw/zinc/13/49/97/490134997.db2.gz ZPOUZRHVQBQFIY-SECBINFHSA-N 1 1 189.262 2.058 10 0 AEAEMO CCC[C@H](C)C[N@H+]1C[C@@H](O)[C@H](CC)C1 400048281 490143347 /nfs/dbraw/zinc/14/33/47/490143347.db2.gz SFYPYCJCJBRWRJ-QJPTWQEYSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)C[N@@H+]1C[C@H](CC)[C@@H](O)C1 400048286 490143483 /nfs/dbraw/zinc/14/34/83/490143483.db2.gz SFYPYCJCJBRWRJ-SRVKXCTJSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)C[N@H+]1C[C@H](O)[C@H](CC)C1 400048289 490143836 /nfs/dbraw/zinc/14/38/36/490143836.db2.gz SFYPYCJCJBRWRJ-TUAOUCFPSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)C[N@H+]1C[C@@H](O)[C@@H](CC)C1 400048284 490143973 /nfs/dbraw/zinc/14/39/73/490143973.db2.gz SFYPYCJCJBRWRJ-SDDRHHMPSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H](O)CCC[N@H+]1CCC[C@H]1C1CC1 682758961 490171136 /nfs/dbraw/zinc/17/11/36/490171136.db2.gz IEYOFNXTDSDKBY-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H](O)CCC[N@H+]1CCC[C@@H]1C1CC1 682758963 490171478 /nfs/dbraw/zinc/17/14/78/490171478.db2.gz IEYOFNXTDSDKBY-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H](O)CCC[N@H+]1CCC[C@H]1C1CC1 682758962 490171752 /nfs/dbraw/zinc/17/17/52/490171752.db2.gz IEYOFNXTDSDKBY-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H](O)CCC[N@H+]1CCC[C@@H]1C1CC1 682758960 490171802 /nfs/dbraw/zinc/17/18/02/490171802.db2.gz IEYOFNXTDSDKBY-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@@H+](Cc1cocn1)C1(C)CCCC1 683847400 490175341 /nfs/dbraw/zinc/17/53/41/490175341.db2.gz IGMZVWTXBGVZLM-UHFFFAOYSA-N 1 1 194.278 2.439 10 0 AEAEMO C[N@@H+](Cc1cn[nH]c1)C1(C)CCCC1 683847772 490175558 /nfs/dbraw/zinc/17/55/58/490175558.db2.gz PVYDIQMMUYGUKK-UHFFFAOYSA-N 1 1 193.294 2.174 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCNC(C)(C)C1 82925779 491022950 /nfs/dbraw/zinc/02/29/50/491022950.db2.gz IIJAGTZAVGPSLW-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](C)CN1CC[NH2+]C(C)(C)C1 82925779 491022951 /nfs/dbraw/zinc/02/29/51/491022951.db2.gz IIJAGTZAVGPSLW-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCNC(C)(C)C1 82925781 491023020 /nfs/dbraw/zinc/02/30/20/491023020.db2.gz IIJAGTZAVGPSLW-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)CN1CC[NH2+]C(C)(C)C1 82925781 491023021 /nfs/dbraw/zinc/02/30/21/491023021.db2.gz IIJAGTZAVGPSLW-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCOCCn1cc[nH+]c1C 82615272 491022249 /nfs/dbraw/zinc/02/22/49/491022249.db2.gz GRWKAMNLWKTJTG-UHFFFAOYSA-N 1 1 182.267 2.008 10 0 AEAEMO CCC(CC)[N@@H+](CCN)CC(C)C 82596394 491022301 /nfs/dbraw/zinc/02/23/01/491022301.db2.gz TWXIACLLNIKLMG-UHFFFAOYSA-N 1 1 186.343 2.092 10 0 AEAEMO CCc1[nH+]ccn1CC[C@H]1CCCO1 83531414 491024632 /nfs/dbraw/zinc/02/46/32/491024632.db2.gz HTDVQQVMFFLTPO-SNVBAGLBSA-N 1 1 194.278 2.015 10 0 AEAEMO CCc1[nH+]ccn1CC[C@@H]1CCCO1 83531413 491024668 /nfs/dbraw/zinc/02/46/68/491024668.db2.gz HTDVQQVMFFLTPO-JTQLQIEISA-N 1 1 194.278 2.015 10 0 AEAEMO CCOCCCn1cc[nH+]c1C(C)C 83553312 491024692 /nfs/dbraw/zinc/02/46/92/491024692.db2.gz DWDBQQWBRZPZEL-UHFFFAOYSA-N 1 1 196.294 2.433 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)CC1(O)CCCC1 83587852 491024722 /nfs/dbraw/zinc/02/47/22/491024722.db2.gz BKORSQYECSUVIW-LLVKDONJSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)CC1(O)CCCC1 83587853 491024804 /nfs/dbraw/zinc/02/48/04/491024804.db2.gz BKORSQYECSUVIW-NSHDSACASA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H](O)CC[N@H+]1CCC[C@H]2CCC[C@@H]21 83702007 491024961 /nfs/dbraw/zinc/02/49/61/491024961.db2.gz JRQNNFIPISAFGE-TUAOUCFPSA-N 1 1 197.322 2.022 10 0 AEAEMO CCc1cc(N[C@@H]2C[C@H]2C)nc(C)[nH+]1 84082061 491026267 /nfs/dbraw/zinc/02/62/67/491026267.db2.gz LOOWRZKJLOJAAW-GMSGAONNSA-N 1 1 191.278 2.168 10 0 AEAEMO CCc1cc(N[C@@H]2C[C@@H]2C)nc(C)[nH+]1 84082059 491026338 /nfs/dbraw/zinc/02/63/38/491026338.db2.gz LOOWRZKJLOJAAW-OIBJUYFYSA-N 1 1 191.278 2.168 10 0 AEAEMO CCc1cc(N[C@H]2C[C@@H]2C)nc(C)[nH+]1 84082060 491026340 /nfs/dbraw/zinc/02/63/40/491026340.db2.gz LOOWRZKJLOJAAW-XVKPBYJWSA-N 1 1 191.278 2.168 10 0 AEAEMO CCc1cc(N[C@H]2C[C@H]2C)nc(C)[nH+]1 84082062 491026346 /nfs/dbraw/zinc/02/63/46/491026346.db2.gz LOOWRZKJLOJAAW-XCBNKYQSSA-N 1 1 191.278 2.168 10 0 AEAEMO C[C@H]1CCC[N@H+](CCC[C@@H](C)O)CC1 84696710 491026624 /nfs/dbraw/zinc/02/66/24/491026624.db2.gz LAIAQQHNRUDOCC-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO C[C@@H](O)CCC[N@H+]1CCC[C@@H](C)CC1 84696708 491026680 /nfs/dbraw/zinc/02/66/80/491026680.db2.gz LAIAQQHNRUDOCC-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)CC(C)(C)O 86274514 491028899 /nfs/dbraw/zinc/02/88/99/491028899.db2.gz RJHNCEVWMVAHAU-JTQLQIEISA-N 1 1 187.327 2.125 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)CC(C)(C)O 86274513 491028994 /nfs/dbraw/zinc/02/89/94/491028994.db2.gz RJHNCEVWMVAHAU-SNVBAGLBSA-N 1 1 187.327 2.125 10 0 AEAEMO CC(C)C[C@@H]([NH3+])CN1CCC(C)(C)C1 87255189 491030061 /nfs/dbraw/zinc/03/00/61/491030061.db2.gz SAPVBXZFNNZDJQ-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@@H](N)C[N@@H+]1CCC(C)(C)C1 87255189 491030062 /nfs/dbraw/zinc/03/00/62/491030062.db2.gz SAPVBXZFNNZDJQ-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@@H](N)C[N@H+]1CCC(C)(C)C1 87255189 491030063 /nfs/dbraw/zinc/03/00/63/491030063.db2.gz SAPVBXZFNNZDJQ-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@H]([NH3+])CN1CCC(C)(C)C1 87255187 491030202 /nfs/dbraw/zinc/03/02/02/491030202.db2.gz SAPVBXZFNNZDJQ-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@H](N)C[N@@H+]1CCC(C)(C)C1 87255187 491030203 /nfs/dbraw/zinc/03/02/03/491030203.db2.gz SAPVBXZFNNZDJQ-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@H](N)C[N@H+]1CCC(C)(C)C1 87255187 491030204 /nfs/dbraw/zinc/03/02/04/491030204.db2.gz SAPVBXZFNNZDJQ-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CCC1(CC)CC[N@@H+](CC(C)(C)O)C1 87257492 491030282 /nfs/dbraw/zinc/03/02/82/491030282.db2.gz RDIVOHWFYJUFOX-UHFFFAOYSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(=O)C[N@H+](CC(C)C)C1CCCC1 87286758 491030353 /nfs/dbraw/zinc/03/03/53/491030353.db2.gz FDBVRGWQENVSQL-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(C)[C@H](O)C[N@@H+](C)CC1CCCC1 87538732 491031367 /nfs/dbraw/zinc/03/13/67/491031367.db2.gz VQSLKEVYHYXABV-GFCCVEGCSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)[C@@H](O)C[N@@H+](C)C1CCCCC1 87537782 491031378 /nfs/dbraw/zinc/03/13/78/491031378.db2.gz ZEJSYITWFOJNAU-LBPRGKRZSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H]1CCC[N@@H+](C[C@H](O)C(C)C)C1 87538155 491031383 /nfs/dbraw/zinc/03/13/83/491031383.db2.gz JQGQUILEIZSGOD-NEPJUHHUSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1C[C@H](O)C(C)C 87537984 491031385 /nfs/dbraw/zinc/03/13/85/491031385.db2.gz RXCXDBMXWSJBQN-RYUDHWBXSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[C@H](O)C[N@@H+](C)C1CCCCC1 87537780 491031389 /nfs/dbraw/zinc/03/13/89/491031389.db2.gz ZEJSYITWFOJNAU-GFCCVEGCSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[N@H+](CC1CC1)C[C@H](O)C(C)C 87538325 491031396 /nfs/dbraw/zinc/03/13/96/491031396.db2.gz KRCZVIBZQRWVBX-LBPRGKRZSA-N 1 1 199.338 2.125 10 0 AEAEMO CCCC[N@@H+](CC)C[C@H](O)C(C)C 87537851 491031402 /nfs/dbraw/zinc/03/14/02/491031402.db2.gz INWKFALTFYDUCZ-NSHDSACASA-N 1 1 187.327 2.125 10 0 AEAEMO CC(C)[C@@H](O)C[N@@H+](C)CC1CCCC1 87538733 491031409 /nfs/dbraw/zinc/03/14/09/491031409.db2.gz VQSLKEVYHYXABV-LBPRGKRZSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H]1CCC[N@@H+](C[C@H](O)C(C)C)C1 87538156 491031438 /nfs/dbraw/zinc/03/14/38/491031438.db2.gz JQGQUILEIZSGOD-RYUDHWBXSA-N 1 1 199.338 2.125 10 0 AEAEMO CCc1[nH+]ccn1CC(=O)[C@H](C)CC 87536277 491031450 /nfs/dbraw/zinc/03/14/50/491031450.db2.gz JCWUZVDLHRLQPR-SECBINFHSA-N 1 1 194.278 2.061 10 0 AEAEMO CCCC[N@@H+](CC)C[C@@H](O)C(C)C 87537853 491031461 /nfs/dbraw/zinc/03/14/61/491031461.db2.gz INWKFALTFYDUCZ-LLVKDONJSA-N 1 1 187.327 2.125 10 0 AEAEMO CCC[N@H+](CC1CC1)C[C@@H](O)C(C)C 87538326 491031468 /nfs/dbraw/zinc/03/14/68/491031468.db2.gz KRCZVIBZQRWVBX-GFCCVEGCSA-N 1 1 199.338 2.125 10 0 AEAEMO CCc1[nH+]ccn1CC(=O)[C@@H](C)CC 87536276 491031473 /nfs/dbraw/zinc/03/14/73/491031473.db2.gz JCWUZVDLHRLQPR-VIFPVBQESA-N 1 1 194.278 2.061 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1C[C@H](O)C(C)C 87537982 491031475 /nfs/dbraw/zinc/03/14/75/491031475.db2.gz RXCXDBMXWSJBQN-NEPJUHHUSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](C)[NH2+][C@@H](C)Cc1cc(C)[nH]n1 130998827 491034469 /nfs/dbraw/zinc/03/44/69/491034469.db2.gz WWKRBGZNYOHWNE-IUCAKERBSA-N 1 1 195.310 2.037 10 0 AEAEMO CCC(CC)C[N@H+]1CCC(=O)[C@@H](C)C1 130382986 491033715 /nfs/dbraw/zinc/03/37/15/491033715.db2.gz RGPIKJUKROMAPS-JTQLQIEISA-N 1 1 197.322 2.334 10 0 AEAEMO CC[C@H](C)[NH2+][C@H](C)Cc1cc(C)[nH]n1 130999226 491034539 /nfs/dbraw/zinc/03/45/39/491034539.db2.gz WWKRBGZNYOHWNE-DTWKUNHWSA-N 1 1 195.310 2.037 10 0 AEAEMO CCC(CC)C[N@H+]1CCC(=O)[C@H](C)C1 130382758 491033779 /nfs/dbraw/zinc/03/37/79/491033779.db2.gz RGPIKJUKROMAPS-SNVBAGLBSA-N 1 1 197.322 2.334 10 0 AEAEMO CC[C@@H](C)[NH2+][C@@H](C)Cc1cc(C)[nH]n1 130998613 491034556 /nfs/dbraw/zinc/03/45/56/491034556.db2.gz WWKRBGZNYOHWNE-BDAKNGLRSA-N 1 1 195.310 2.037 10 0 AEAEMO CC[C@@H](C)[NH2+][C@H](C)Cc1cc(C)[nH]n1 130999021 491034560 /nfs/dbraw/zinc/03/45/60/491034560.db2.gz WWKRBGZNYOHWNE-RKDXNWHRSA-N 1 1 195.310 2.037 10 0 AEAEMO C[C@@H](CC1CCC1)[NH2+]Cc1ccn[nH]1 133381815 491037638 /nfs/dbraw/zinc/03/76/38/491037638.db2.gz FDAIKRUKVWENDV-VIFPVBQESA-N 1 1 193.294 2.078 10 0 AEAEMO C[C@H](CC1CCC1)[NH2+]Cc1ccn[nH]1 133381990 491037683 /nfs/dbraw/zinc/03/76/83/491037683.db2.gz FDAIKRUKVWENDV-SECBINFHSA-N 1 1 193.294 2.078 10 0 AEAEMO CCC[C@H](C)C[N@@H+](CCO)CC1CC1 132496740 491036396 /nfs/dbraw/zinc/03/63/96/491036396.db2.gz PAVKWMRCZBLIJM-NSHDSACASA-N 1 1 199.338 2.127 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](CCO)CC1CC1 132496534 491036463 /nfs/dbraw/zinc/03/64/63/491036463.db2.gz PAVKWMRCZBLIJM-LLVKDONJSA-N 1 1 199.338 2.127 10 0 AEAEMO CCCC[N@@H+](C)CCCF 220345825 491040497 /nfs/dbraw/zinc/04/04/97/491040497.db2.gz DHMGEPVNAPKNIO-UHFFFAOYSA-N 1 1 147.237 2.078 10 0 AEAEMO CO[C@@H](C)[C@H](C)Nc1cccc(C)[nH+]1 134169536 491038564 /nfs/dbraw/zinc/03/85/64/491038564.db2.gz XPYSAFMZXMREKQ-UWVGGRQHSA-N 1 1 194.278 2.225 10 0 AEAEMO CO[C@H](C)[C@H](C)Nc1cccc(C)[nH+]1 134169112 491038620 /nfs/dbraw/zinc/03/86/20/491038620.db2.gz XPYSAFMZXMREKQ-VHSXEESVSA-N 1 1 194.278 2.225 10 0 AEAEMO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H](C)C(C)C 134545503 491038947 /nfs/dbraw/zinc/03/89/47/491038947.db2.gz TZNCZVPKZWAAJA-RKDXNWHRSA-N 1 1 195.310 2.413 10 0 AEAEMO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](C)C(C)C 134545484 491039083 /nfs/dbraw/zinc/03/90/83/491039083.db2.gz TZNCZVPKZWAAJA-IUCAKERBSA-N 1 1 195.310 2.413 10 0 AEAEMO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C 134552462 491039115 /nfs/dbraw/zinc/03/91/15/491039115.db2.gz IAYNCFHHXCHJIW-NRPADANISA-N 1 1 193.294 2.025 10 0 AEAEMO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H](C)C(C)C 134545465 491039122 /nfs/dbraw/zinc/03/91/22/491039122.db2.gz TZNCZVPKZWAAJA-DTWKUNHWSA-N 1 1 195.310 2.413 10 0 AEAEMO Cc1[nH]ncc1[C@H](C)[NH2+][C@H](C)C(C)C 134545524 491039126 /nfs/dbraw/zinc/03/91/26/491039126.db2.gz TZNCZVPKZWAAJA-BDAKNGLRSA-N 1 1 195.310 2.413 10 0 AEAEMO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H]1C[C@@H]1C 134552502 491039128 /nfs/dbraw/zinc/03/91/28/491039128.db2.gz IAYNCFHHXCHJIW-OYNCUSHFSA-N 1 1 193.294 2.025 10 0 AEAEMO Cc1[nH]ncc1[C@@H](C)[NH2+]C1CC(C)C1 134590280 491039150 /nfs/dbraw/zinc/03/91/50/491039150.db2.gz OIVYYPMAUMYGGJ-CCNFQMFXSA-N 1 1 193.294 2.167 10 0 AEAEMO Cc1[nH]ncc1[C@H](C)[NH2+]C1CC(C)C1 134590301 491039219 /nfs/dbraw/zinc/03/92/19/491039219.db2.gz OIVYYPMAUMYGGJ-ZCUBBSJVSA-N 1 1 193.294 2.167 10 0 AEAEMO CC1(C)CC(C)(C)c2[nH+]c[nH]c21 200522759 491040231 /nfs/dbraw/zinc/04/02/31/491040231.db2.gz GIWUZXWCEQTULJ-UHFFFAOYSA-N 1 1 164.252 2.369 10 0 AEAEMO CC(C)[N@@H+](C)CC1(C)CC1 222861847 491041225 /nfs/dbraw/zinc/04/12/25/491041225.db2.gz GGQSBAQPFVAEKF-UHFFFAOYSA-N 1 1 141.258 2.127 10 0 AEAEMO C[C@H](CO)C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 228198168 491044459 /nfs/dbraw/zinc/04/44/59/491044459.db2.gz AGSADKZDAVNOKY-GRYCIOLGSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@@H](CCO)C1 224483842 491041795 /nfs/dbraw/zinc/04/17/95/491041795.db2.gz OOFFZXUZXAPHNN-RYUDHWBXSA-N 1 1 199.338 2.127 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CC[C@@H](CCO)C1 224483798 491041801 /nfs/dbraw/zinc/04/18/01/491041801.db2.gz OOFFZXUZXAPHNN-NEPJUHHUSA-N 1 1 199.338 2.127 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCC[C@@H](CO)C1 225346498 491042210 /nfs/dbraw/zinc/04/22/10/491042210.db2.gz NFBKCOYBQSSHMG-NWDGAFQWSA-N 1 1 199.338 2.127 10 0 AEAEMO C[C@H](CO)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C 225563046 491042212 /nfs/dbraw/zinc/04/22/12/491042212.db2.gz PCZSDKBSNDRPTH-SDDRHHMPSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@@H](C)N1CC[NH+](C(C)C)CC1 225510414 491042216 /nfs/dbraw/zinc/04/22/16/491042216.db2.gz HHMXGXVOHJVOHJ-GFCCVEGCSA-N 1 1 198.354 2.201 10 0 AEAEMO CCC[C@H](C)N1CC[NH+](C(C)C)CC1 225510448 491042247 /nfs/dbraw/zinc/04/22/47/491042247.db2.gz HHMXGXVOHJVOHJ-LBPRGKRZSA-N 1 1 198.354 2.201 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCC[C@@H](CO)C1 225346460 491042267 /nfs/dbraw/zinc/04/22/67/491042267.db2.gz NFBKCOYBQSSHMG-VXGBXAGGSA-N 1 1 199.338 2.127 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1C[C@@H](O)C(C)C 226399505 491042859 /nfs/dbraw/zinc/04/28/59/491042859.db2.gz RXCXDBMXWSJBQN-VXGBXAGGSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@@H]([C@@H](C)O)C1 226482206 491042845 /nfs/dbraw/zinc/04/28/45/491042845.db2.gz OLMXPCDIKSPARM-QJPTWQEYSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1C[C@@H](O)C(C)C 226399510 491042849 /nfs/dbraw/zinc/04/28/49/491042849.db2.gz RXCXDBMXWSJBQN-NWDGAFQWSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H](O)CCC[N@H+]1CCCCC[C@@H]1C 226738970 491043093 /nfs/dbraw/zinc/04/30/93/491043093.db2.gz VIOGZXXYQWJGGU-RYUDHWBXSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@@H](C)[C@@H]1CO 227188476 491043542 /nfs/dbraw/zinc/04/35/42/491043542.db2.gz BBWHGPMQZXSHFI-TUAOUCFPSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H](O)CCC[N@H+]1C[C@@H](C)CC[C@@H]1C 228013338 491044287 /nfs/dbraw/zinc/04/42/87/491044287.db2.gz VCNCCRNRKGWJRJ-SRVKXCTJSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 306323851 491048569 /nfs/dbraw/zinc/04/85/69/491048569.db2.gz KLOXETIFCBQOAU-LDMBFOFVSA-N 1 1 198.354 2.136 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 306323853 491048571 /nfs/dbraw/zinc/04/85/71/491048571.db2.gz KLOXETIFCBQOAU-WTPMCQDGSA-N 1 1 198.354 2.136 10 0 AEAEMO CC(C)[C@H]1CC[N@H+](CCC[C@H](C)O)C1 228788792 491044864 /nfs/dbraw/zinc/04/48/64/491044864.db2.gz RGQHQVYRECCQOR-RYUDHWBXSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[N@@H+](CC(C)C)C[C@@](C)(O)CC 229382622 491045072 /nfs/dbraw/zinc/04/50/72/491045072.db2.gz AYYYCTIKLPORHO-NSHDSACASA-N 1 1 187.327 2.125 10 0 AEAEMO CC[C@](C)(O)C[N@@H+](C)CC(C)(C)C 229390298 491045090 /nfs/dbraw/zinc/04/50/90/491045090.db2.gz MWWAGOTZXXXUFO-NSHDSACASA-N 1 1 187.327 2.125 10 0 AEAEMO CC[C@@](C)(O)C[N@@H+](C)CCC(C)C 229385952 491045100 /nfs/dbraw/zinc/04/51/00/491045100.db2.gz YSVBQLNPFLKMIH-LLVKDONJSA-N 1 1 187.327 2.125 10 0 AEAEMO CC[C@H]1CCC[N@@H+](C[C@@](C)(O)CC)C1 229384077 491045102 /nfs/dbraw/zinc/04/51/02/491045102.db2.gz CFYPRGPIVHBAQU-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@](C)(O)C[N@H+]1CCC[C@@H](C)CC1 229392164 491045115 /nfs/dbraw/zinc/04/51/15/491045115.db2.gz WCGDYDKGBODFEH-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[N@@H+](CC(C)C)C[C@](C)(O)CC 229382638 491045122 /nfs/dbraw/zinc/04/51/22/491045122.db2.gz AYYYCTIKLPORHO-LLVKDONJSA-N 1 1 187.327 2.125 10 0 AEAEMO CC[C@@](C)(O)C[N@@H+](C)CC1CCCC1 229392190 491045133 /nfs/dbraw/zinc/04/51/33/491045133.db2.gz IMZPXDIBWFJMFO-GFCCVEGCSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@](C)(O)C[N@@H+](C)CC1CCCC1 229392200 491045144 /nfs/dbraw/zinc/04/51/44/491045144.db2.gz IMZPXDIBWFJMFO-LBPRGKRZSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@](C)(O)C[N@H+]1CCC[C@@H](C)CC1 229392147 491045146 /nfs/dbraw/zinc/04/51/46/491045146.db2.gz WCGDYDKGBODFEH-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)C[C@@](C)(O)CC 229380979 491045152 /nfs/dbraw/zinc/04/51/52/491045152.db2.gz WYWCIKCDNOWPBQ-QWRGUYRKSA-N 1 1 187.327 2.125 10 0 AEAEMO CC[C@@H]1CCC[N@@H+](C[C@@](C)(O)CC)C1 229384059 491045159 /nfs/dbraw/zinc/04/51/59/491045159.db2.gz CFYPRGPIVHBAQU-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CCCC[N@@H+](CC)C[C@](C)(O)CC 229381465 491045167 /nfs/dbraw/zinc/04/51/67/491045167.db2.gz QZIUZQIVZMLJTP-LLVKDONJSA-N 1 1 187.327 2.269 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)C[C@@](C)(O)CC 229380967 491045173 /nfs/dbraw/zinc/04/51/73/491045173.db2.gz WYWCIKCDNOWPBQ-MNOVXSKESA-N 1 1 187.327 2.125 10 0 AEAEMO CCCC[N@@H+](CC)C[C@@](C)(O)CC 229381450 491045197 /nfs/dbraw/zinc/04/51/97/491045197.db2.gz QZIUZQIVZMLJTP-NSHDSACASA-N 1 1 187.327 2.269 10 0 AEAEMO CC[C@@](C)(O)C[N@@H+](C)CC(C)(C)C 229390288 491045205 /nfs/dbraw/zinc/04/52/05/491045205.db2.gz MWWAGOTZXXXUFO-LLVKDONJSA-N 1 1 187.327 2.125 10 0 AEAEMO CC[C@](C)(O)C[N@@H+](C)CCC(C)C 229385964 491045214 /nfs/dbraw/zinc/04/52/14/491045214.db2.gz YSVBQLNPFLKMIH-NSHDSACASA-N 1 1 187.327 2.125 10 0 AEAEMO C[C@H]1C[C@@H](C)C[N@H+](CCCCO)[C@@H]1C 229473463 491045228 /nfs/dbraw/zinc/04/52/28/491045228.db2.gz XSBYABXRAJIYDI-GRYCIOLGSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CCCCO)C1 229473443 491045241 /nfs/dbraw/zinc/04/52/41/491045241.db2.gz XSBYABXRAJIYDI-IJLUTSLNSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@](C)(O)C[N@H+]1CC[C@H](C(C)C)C1 229396795 491045282 /nfs/dbraw/zinc/04/52/82/491045282.db2.gz FCOHSLJZAFSEEO-NWDGAFQWSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@](C)(O)C[N@H+]1CC[C@H](C(C)C)C1 229396811 491045320 /nfs/dbraw/zinc/04/53/20/491045320.db2.gz FCOHSLJZAFSEEO-RYUDHWBXSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@@H](O)[C@@H](C)C1 229575396 491045455 /nfs/dbraw/zinc/04/54/55/491045455.db2.gz UBMUCJGNWONEMP-SDDRHHMPSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@](C)(O)C[N@H+]1CC[C@@H](C(C)C)C1 229875739 491045624 /nfs/dbraw/zinc/04/56/24/491045624.db2.gz FCOHSLJZAFSEEO-NEPJUHHUSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@](C)(O)C[N@H+]1CC[C@@H](C(C)C)C1 229875731 491045665 /nfs/dbraw/zinc/04/56/65/491045665.db2.gz FCOHSLJZAFSEEO-VXGBXAGGSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1C[C@@H]1CC[C@@H](C)O1 306153216 491046002 /nfs/dbraw/zinc/04/60/02/491046002.db2.gz ISDGEZZZIXFJIU-YTWAJWBKSA-N 1 1 183.295 2.037 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1C[C@H]1CC[C@@H](C)O1 306153213 491046064 /nfs/dbraw/zinc/04/60/64/491046064.db2.gz ISDGEZZZIXFJIU-LMLFDSFASA-N 1 1 183.295 2.037 10 0 AEAEMO CCCC[N@@H+]1CC=C(C)CC1 306188875 491046350 /nfs/dbraw/zinc/04/63/50/491046350.db2.gz CSGBFSZKHGKQPT-UHFFFAOYSA-N 1 1 153.269 2.439 10 0 AEAEMO CCC[C@H](C)[N@H+]1C[C@@H]2CC[C@H](C1)O2 306375719 491049576 /nfs/dbraw/zinc/04/95/76/491049576.db2.gz MAWLJUDEGJIDRN-GARJFASQSA-N 1 1 183.295 2.038 10 0 AEAEMO CCCC[N@H+]1CCC12CCOCC2 306215772 491046778 /nfs/dbraw/zinc/04/67/78/491046778.db2.gz BEMHHYPPVAQLJL-UHFFFAOYSA-N 1 1 183.295 2.041 10 0 AEAEMO C[C@@H]1CC[N@@H+](CC2(F)CC2)[C@@H]1C 306232841 491047034 /nfs/dbraw/zinc/04/70/34/491047034.db2.gz APGCTZMVPYYFDB-RKDXNWHRSA-N 1 1 171.259 2.219 10 0 AEAEMO C[C@H]1CC[N@@H+](CC2(F)CC2)[C@H]1C 306232833 491047036 /nfs/dbraw/zinc/04/70/36/491047036.db2.gz APGCTZMVPYYFDB-IUCAKERBSA-N 1 1 171.259 2.219 10 0 AEAEMO C[C@H]1[C@H](C)CC[N@H+]1CC1(F)CC1 306232816 491047085 /nfs/dbraw/zinc/04/70/85/491047085.db2.gz APGCTZMVPYYFDB-BDAKNGLRSA-N 1 1 171.259 2.219 10 0 AEAEMO C[C@H]1CC[N@@H+](CC2(F)CC2)[C@@H]1C 306232825 491047130 /nfs/dbraw/zinc/04/71/30/491047130.db2.gz APGCTZMVPYYFDB-DTWKUNHWSA-N 1 1 171.259 2.219 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1C[C@@H]1CCSC1 306260554 491047385 /nfs/dbraw/zinc/04/73/85/491047385.db2.gz KIRQMEGWWRRNBR-AEJSXWLSSA-N 1 1 185.336 2.222 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1C[C@H]1CCSC1 306260556 491047422 /nfs/dbraw/zinc/04/74/22/491047422.db2.gz KIRQMEGWWRRNBR-KXUCPTDWSA-N 1 1 185.336 2.222 10 0 AEAEMO CCC[C@@H](C)[N@H+]1C[C@@H]2CC[C@H](C1)O2 306375720 491049663 /nfs/dbraw/zinc/04/96/63/491049663.db2.gz MAWLJUDEGJIDRN-MXWKQRLJSA-N 1 1 183.295 2.038 10 0 AEAEMO Cc1nc(C)c(C[N@H+](C)C(C)C)o1 306271516 491047582 /nfs/dbraw/zinc/04/75/82/491047582.db2.gz VYADFIWWXYQKIH-UHFFFAOYSA-N 1 1 182.267 2.132 10 0 AEAEMO CC1=C[C@@H](C)C[N@@H+](CC2(F)CC2)C1 306276374 491047790 /nfs/dbraw/zinc/04/77/90/491047790.db2.gz DWSXIBRSMDDEAH-SECBINFHSA-N 1 1 183.270 2.387 10 0 AEAEMO CC1=C[C@H](C)C[N@@H+](CC2(F)CC2)C1 306276375 491047826 /nfs/dbraw/zinc/04/78/26/491047826.db2.gz DWSXIBRSMDDEAH-VIFPVBQESA-N 1 1 183.270 2.387 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1C[C@@H]1C[C@H]1C 306279621 491047892 /nfs/dbraw/zinc/04/78/92/491047892.db2.gz HTUWHQRCMQJMTO-IMSYWVGJSA-N 1 1 153.269 2.125 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1C[C@H]1C[C@H]1C 306279620 491047938 /nfs/dbraw/zinc/04/79/38/491047938.db2.gz HTUWHQRCMQJMTO-DOLQZWNJSA-N 1 1 153.269 2.125 10 0 AEAEMO CCC(=O)Nc1cc(C)[nH+]cc1C 306286059 491047940 /nfs/dbraw/zinc/04/79/40/491047940.db2.gz CYODNCIMQNKNTA-UHFFFAOYSA-N 1 1 178.235 2.047 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 306323850 491048513 /nfs/dbraw/zinc/04/85/13/491048513.db2.gz KLOXETIFCBQOAU-KZZRWZIVSA-N 1 1 198.354 2.136 10 0 AEAEMO CCCC[N@H+]1CC[C@@H](C)[C@@H](F)C1 306293521 491048173 /nfs/dbraw/zinc/04/81/73/491048173.db2.gz WXXZMGKUGTVTTO-ZJUUUORDSA-N 1 1 173.275 2.466 10 0 AEAEMO CCCC[N@H+]1CC[C@H](C)[C@@H](F)C1 306293514 491048178 /nfs/dbraw/zinc/04/81/78/491048178.db2.gz WXXZMGKUGTVTTO-UWVGGRQHSA-N 1 1 173.275 2.466 10 0 AEAEMO CCCC[N@H+]1CC[C@@H](C)[C@H](F)C1 306293513 491048186 /nfs/dbraw/zinc/04/81/86/491048186.db2.gz WXXZMGKUGTVTTO-NXEZZACHSA-N 1 1 173.275 2.466 10 0 AEAEMO CCCC[N@H+]1CC[C@H](C)[C@H](F)C1 306293515 491048191 /nfs/dbraw/zinc/04/81/91/491048191.db2.gz WXXZMGKUGTVTTO-VHSXEESVSA-N 1 1 173.275 2.466 10 0 AEAEMO CC(C)[C@@H](C)[N@H+]1CCC[C@@](C)(O)CC1 306299561 491048209 /nfs/dbraw/zinc/04/82/09/491048209.db2.gz KPXRNDNIVULQPM-VXGBXAGGSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[C@@H](C)[N@H+]1CCC[C@](C)(O)CC1 306299558 491048223 /nfs/dbraw/zinc/04/82/23/491048223.db2.gz KPXRNDNIVULQPM-NEPJUHHUSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CCC[C@@](C)(O)CC1 306299559 491048245 /nfs/dbraw/zinc/04/82/45/491048245.db2.gz KPXRNDNIVULQPM-NWDGAFQWSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 306323852 491048531 /nfs/dbraw/zinc/04/85/31/491048531.db2.gz KLOXETIFCBQOAU-UHFZAUJKSA-N 1 1 198.354 2.136 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CCC[C@](C)(O)CC1 306299560 491048296 /nfs/dbraw/zinc/04/82/96/491048296.db2.gz KPXRNDNIVULQPM-RYUDHWBXSA-N 1 1 199.338 2.268 10 0 AEAEMO CC1CC([NH2+]C(C)(C)C(F)F)C1 306334414 491048627 /nfs/dbraw/zinc/04/86/27/491048627.db2.gz FVWNYXXIKLJLEM-UHFFFAOYSA-N 1 1 177.238 2.418 10 0 AEAEMO CC[C@@H](O)C[N@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C 306346656 491048884 /nfs/dbraw/zinc/04/88/84/491048884.db2.gz QATBKPHQRMVYKR-WISYIIOYSA-N 1 1 199.338 2.124 10 0 AEAEMO CC[C@@H](O)C[N@H+]1C[C@H](C)C[C@@H](C)[C@H]1C 306346649 491048904 /nfs/dbraw/zinc/04/89/04/491048904.db2.gz QATBKPHQRMVYKR-DDHJBXDOSA-N 1 1 199.338 2.124 10 0 AEAEMO CCc1nc(N[C@@H]2C[C@H]2C)cc(C)[nH+]1 306344266 491048934 /nfs/dbraw/zinc/04/89/34/491048934.db2.gz CMXTWSQRAXFHLE-VXNVDRBHSA-N 1 1 191.278 2.168 10 0 AEAEMO CC[C@@H](O)C[N@H+]1C[C@H](C)C[C@H](C)[C@H]1C 306346664 491048948 /nfs/dbraw/zinc/04/89/48/491048948.db2.gz QATBKPHQRMVYKR-WRWGMCAJSA-N 1 1 199.338 2.124 10 0 AEAEMO C[C@H]1CC[N@@H+](CCC2CC2)C[C@@H]1F 306355400 491049048 /nfs/dbraw/zinc/04/90/48/491049048.db2.gz JJNGIFDEKKPPSJ-ONGXEEELSA-N 1 1 185.286 2.466 10 0 AEAEMO C[C@H]1CC[N@@H+](CCC2CC2)C[C@H]1F 306355394 491049059 /nfs/dbraw/zinc/04/90/59/491049059.db2.gz JJNGIFDEKKPPSJ-GXSJLCMTSA-N 1 1 185.286 2.466 10 0 AEAEMO C[C@@H]1CC[N@@H+](CCC2CC2)C[C@H]1F 306355398 491049062 /nfs/dbraw/zinc/04/90/62/491049062.db2.gz JJNGIFDEKKPPSJ-MWLCHTKSSA-N 1 1 185.286 2.466 10 0 AEAEMO C[C@@H]1CC[N@@H+](CCC2CC2)C[C@@H]1F 306355396 491049092 /nfs/dbraw/zinc/04/90/92/491049092.db2.gz JJNGIFDEKKPPSJ-KOLCDFICSA-N 1 1 185.286 2.466 10 0 AEAEMO C[N@@H+](CC1(F)CC1)C1CCCC1 306360227 491049344 /nfs/dbraw/zinc/04/93/44/491049344.db2.gz MBGGIHNBTHDBIF-UHFFFAOYSA-N 1 1 171.259 2.363 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](F)C1 306389803 491049891 /nfs/dbraw/zinc/04/98/91/491049891.db2.gz XJHYKZCZOZPKOR-KXUCPTDWSA-N 1 1 173.275 2.465 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](F)C1 306389805 491049896 /nfs/dbraw/zinc/04/98/96/491049896.db2.gz XJHYKZCZOZPKOR-UTLUCORTSA-N 1 1 173.275 2.465 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@H](C)[C@H](F)C1 306389804 491049912 /nfs/dbraw/zinc/04/99/12/491049912.db2.gz XJHYKZCZOZPKOR-LPEHRKFASA-N 1 1 173.275 2.465 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](F)C1 306389802 491049967 /nfs/dbraw/zinc/04/99/67/491049967.db2.gz XJHYKZCZOZPKOR-GUBZILKMSA-N 1 1 173.275 2.465 10 0 AEAEMO FC1(C[N@H+]2CCCC3(CC3)C2)CC1 306629609 491054023 /nfs/dbraw/zinc/05/40/23/491054023.db2.gz KDMIOORZKVNLSP-UHFFFAOYSA-N 1 1 183.270 2.365 10 0 AEAEMO CC1(C[N@H+]2C[C@H]3CCC[C@H]32)CC1 306422519 491050543 /nfs/dbraw/zinc/05/05/43/491050543.db2.gz FIRMMCIKMDMIHV-NXEZZACHSA-N 1 1 165.280 2.271 10 0 AEAEMO CC1(C[N@H+]2C[C@@H]3CCC[C@H]32)CC1 306422524 491050579 /nfs/dbraw/zinc/05/05/79/491050579.db2.gz FIRMMCIKMDMIHV-VHSXEESVSA-N 1 1 165.280 2.271 10 0 AEAEMO CC1(C[N@H+]2C[C@H]3CCC[C@@H]32)CC1 306422527 491050671 /nfs/dbraw/zinc/05/06/71/491050671.db2.gz FIRMMCIKMDMIHV-ZJUUUORDSA-N 1 1 165.280 2.271 10 0 AEAEMO CC1(C[N@H+]2C[C@@H]3CCC[C@@H]32)CC1 306422522 491050789 /nfs/dbraw/zinc/05/07/89/491050789.db2.gz FIRMMCIKMDMIHV-UWVGGRQHSA-N 1 1 165.280 2.271 10 0 AEAEMO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1CC1(C)C 306424669 491050889 /nfs/dbraw/zinc/05/08/89/491050889.db2.gz BWKLONSBDKNYRO-GMSGAONNSA-N 1 1 193.294 2.167 10 0 AEAEMO C[C@H]1CC[C@@H](C)[N@H+]1Cc1cocn1 306427007 491050892 /nfs/dbraw/zinc/05/08/92/491050892.db2.gz ISRDVEFFNOZFGP-DTORHVGOSA-N 1 1 180.251 2.047 10 0 AEAEMO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CC1(C)C 306424671 491050945 /nfs/dbraw/zinc/05/09/45/491050945.db2.gz BWKLONSBDKNYRO-OIBJUYFYSA-N 1 1 193.294 2.167 10 0 AEAEMO CC1(C)[C@H]2C[N@@H+](CC3(F)CC3)C[C@H]21 306431332 491051007 /nfs/dbraw/zinc/05/10/07/491051007.db2.gz RHUXIZSOMHRIAN-DTORHVGOSA-N 1 1 183.270 2.076 10 0 AEAEMO CC1(C[N@@H+]2CC=CCC2)CCC1 306447348 491051248 /nfs/dbraw/zinc/05/12/48/491051248.db2.gz UBLZISSBFMFEPA-UHFFFAOYSA-N 1 1 165.280 2.439 10 0 AEAEMO C[C@H]1CC[N@@H+](CC2(C)CC2)C[C@@H]1F 306454368 491051343 /nfs/dbraw/zinc/05/13/43/491051343.db2.gz PIMJYPYSIYPCRR-UWVGGRQHSA-N 1 1 185.286 2.466 10 0 AEAEMO CC(C)[N@H+]1CC[C@H](C)[C@H](F)C1 306453299 491051377 /nfs/dbraw/zinc/05/13/77/491051377.db2.gz XWQHJBCQXDUAGX-DTWKUNHWSA-N 1 1 159.248 2.075 10 0 AEAEMO CC(C)[N@H+]1CC[C@@H](C)[C@H](F)C1 306453300 491051437 /nfs/dbraw/zinc/05/14/37/491051437.db2.gz XWQHJBCQXDUAGX-RKDXNWHRSA-N 1 1 159.248 2.075 10 0 AEAEMO C[C@@H]1CC[N@@H+](CC2(C)CC2)C[C@@H]1F 306454370 491051472 /nfs/dbraw/zinc/05/14/72/491051472.db2.gz PIMJYPYSIYPCRR-ZJUUUORDSA-N 1 1 185.286 2.466 10 0 AEAEMO C[C@@H]1CC[N@@H+](CC2(C)CC2)C[C@H]1F 306454367 491051477 /nfs/dbraw/zinc/05/14/77/491051477.db2.gz PIMJYPYSIYPCRR-NXEZZACHSA-N 1 1 185.286 2.466 10 0 AEAEMO C[C@H]1CC[N@@H+](CC2(C)CC2)C[C@H]1F 306454369 491051485 /nfs/dbraw/zinc/05/14/85/491051485.db2.gz PIMJYPYSIYPCRR-VHSXEESVSA-N 1 1 185.286 2.466 10 0 AEAEMO CCCC[N@H+]1CCC=C(C)C1 306505738 491052322 /nfs/dbraw/zinc/05/23/22/491052322.db2.gz FRDUUGWTQKPKQK-UHFFFAOYSA-N 1 1 153.269 2.439 10 0 AEAEMO FC1(C[N@H+]2CC[C@H](C3CC3)C2)CC1 306581616 491053705 /nfs/dbraw/zinc/05/37/05/491053705.db2.gz ZQGNDCTWTXJPRM-JTQLQIEISA-N 1 1 183.270 2.220 10 0 AEAEMO FC1(C[N@H+]2CC[C@@H](C3CC3)C2)CC1 306581617 491053711 /nfs/dbraw/zinc/05/37/11/491053711.db2.gz ZQGNDCTWTXJPRM-SNVBAGLBSA-N 1 1 183.270 2.220 10 0 AEAEMO CO[C@H]1CCC[N@H+]([C@@H](C)C(C)C)C1 306692278 491054503 /nfs/dbraw/zinc/05/45/03/491054503.db2.gz PHHMJTKPCFHCFL-QWRGUYRKSA-N 1 1 185.311 2.142 10 0 AEAEMO CO[C@H]1CCC[N@H+]([C@H](C)C(C)C)C1 306692277 491054505 /nfs/dbraw/zinc/05/45/05/491054505.db2.gz PHHMJTKPCFHCFL-MNOVXSKESA-N 1 1 185.311 2.142 10 0 AEAEMO CO[C@@H]1CCC[N@H+]([C@H](C)C(C)C)C1 306692276 491054564 /nfs/dbraw/zinc/05/45/64/491054564.db2.gz PHHMJTKPCFHCFL-GHMZBOCLSA-N 1 1 185.311 2.142 10 0 AEAEMO CO[C@@H]1CCC[N@H+]([C@@H](C)C(C)C)C1 306692279 491054573 /nfs/dbraw/zinc/05/45/73/491054573.db2.gz PHHMJTKPCFHCFL-WDEREUQCSA-N 1 1 185.311 2.142 10 0 AEAEMO C[N@@H+](Cc1cocn1)C1CCCC1 306753427 491055290 /nfs/dbraw/zinc/05/52/90/491055290.db2.gz JKPRBANRLYOPLE-UHFFFAOYSA-N 1 1 180.251 2.049 10 0 AEAEMO C[C@H]1C[N@@H+](CC2(C)CC2)CCS1 306761287 491055506 /nfs/dbraw/zinc/05/55/06/491055506.db2.gz RPMQOLYPXOZWFH-VIFPVBQESA-N 1 1 185.336 2.224 10 0 AEAEMO CC(C)CC[N@@H+]1CC=CCC1 307199706 491059302 /nfs/dbraw/zinc/05/93/02/491059302.db2.gz CQYIVXVTBOKRME-UHFFFAOYSA-N 1 1 153.269 2.294 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H](OC(F)F)C1 306923567 491056481 /nfs/dbraw/zinc/05/64/81/491056481.db2.gz GBIACHKJQICHLH-MRVPVSSYSA-N 1 1 193.237 2.098 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H](OC(F)F)C1 306923568 491056526 /nfs/dbraw/zinc/05/65/26/491056526.db2.gz GBIACHKJQICHLH-QMMMGPOBSA-N 1 1 193.237 2.098 10 0 AEAEMO FC1(C[N@H+]2CCC[C@H]2C2CC2)CC1 306926873 491056641 /nfs/dbraw/zinc/05/66/41/491056641.db2.gz RJYWSIRXPZSOPV-JTQLQIEISA-N 1 1 183.270 2.363 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1C[C@@H]1CCCCO1 306926717 491056659 /nfs/dbraw/zinc/05/66/59/491056659.db2.gz QTYXJKLAQPFQPC-AXFHLTTASA-N 1 1 183.295 2.038 10 0 AEAEMO FC1(C[N@H+]2CCC[C@@H]2C2CC2)CC1 306926874 491056691 /nfs/dbraw/zinc/05/66/91/491056691.db2.gz RJYWSIRXPZSOPV-SNVBAGLBSA-N 1 1 183.270 2.363 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1C[C@H]1CCCCO1 306926720 491056696 /nfs/dbraw/zinc/05/66/96/491056696.db2.gz QTYXJKLAQPFQPC-OUAUKWLOSA-N 1 1 183.295 2.038 10 0 AEAEMO C[C@H]1CC[N@@H+](CC2CCC2)C[C@H]1F 306933580 491056800 /nfs/dbraw/zinc/05/68/00/491056800.db2.gz DOHYOXOFWNNFES-GXSJLCMTSA-N 1 1 185.286 2.466 10 0 AEAEMO C[C@@H]1CC[N@@H+](CC2CCC2)C[C@@H]1F 306933582 491056829 /nfs/dbraw/zinc/05/68/29/491056829.db2.gz DOHYOXOFWNNFES-KOLCDFICSA-N 1 1 185.286 2.466 10 0 AEAEMO C[C@@H]1CC[N@@H+](CC2CCC2)C[C@H]1F 306933584 491056860 /nfs/dbraw/zinc/05/68/60/491056860.db2.gz DOHYOXOFWNNFES-MWLCHTKSSA-N 1 1 185.286 2.466 10 0 AEAEMO C[C@H]1CC[N@@H+](CC2CCC2)C[C@@H]1F 306933587 491056874 /nfs/dbraw/zinc/05/68/74/491056874.db2.gz DOHYOXOFWNNFES-ONGXEEELSA-N 1 1 185.286 2.466 10 0 AEAEMO CC(C)C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C 306947622 491056954 /nfs/dbraw/zinc/05/69/54/491056954.db2.gz QGJMQIJQTIRRDA-AXFHLTTASA-N 1 1 185.311 2.140 10 0 AEAEMO C1C[C@H]2[C@H](C1)C[N@@H+]2C[C@@H]1CCSC1 306954460 491056959 /nfs/dbraw/zinc/05/69/59/491056959.db2.gz OETIGGKYIKXBTI-AXFHLTTASA-N 1 1 197.347 2.224 10 0 AEAEMO CC(C)C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C 306947625 491056961 /nfs/dbraw/zinc/05/69/61/491056961.db2.gz QGJMQIJQTIRRDA-HBNTYKKESA-N 1 1 185.311 2.140 10 0 AEAEMO C1C[C@@H]2C[N@H+](C[C@@H]3CCSC3)[C@@H]2C1 306954462 491056979 /nfs/dbraw/zinc/05/69/79/491056979.db2.gz OETIGGKYIKXBTI-HBNTYKKESA-N 1 1 197.347 2.224 10 0 AEAEMO CC(C)C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C 306947623 491056981 /nfs/dbraw/zinc/05/69/81/491056981.db2.gz QGJMQIJQTIRRDA-DCAQKATOSA-N 1 1 185.311 2.140 10 0 AEAEMO C1C[C@H]2[C@H](C1)C[N@@H+]2C[C@H]1CCSC1 306954463 491056989 /nfs/dbraw/zinc/05/69/89/491056989.db2.gz OETIGGKYIKXBTI-MXWKQRLJSA-N 1 1 197.347 2.224 10 0 AEAEMO C1C[C@@H]2C[N@H+](C[C@H]3CCSC3)[C@@H]2C1 306954461 491057009 /nfs/dbraw/zinc/05/70/09/491057009.db2.gz OETIGGKYIKXBTI-GMTAPVOTSA-N 1 1 197.347 2.224 10 0 AEAEMO CC(C)C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C 306947624 491057017 /nfs/dbraw/zinc/05/70/17/491057017.db2.gz QGJMQIJQTIRRDA-GARJFASQSA-N 1 1 185.311 2.140 10 0 AEAEMO FC1(C[N@H+]2CCC3(CCC3)C2)CC1 306983071 491057484 /nfs/dbraw/zinc/05/74/84/491057484.db2.gz KDFAWKGBOLLMHE-UHFFFAOYSA-N 1 1 183.270 2.365 10 0 AEAEMO CCc1nc(N[C@@H]2C[C@@H]2C)cc(C)[nH+]1 306998704 491057659 /nfs/dbraw/zinc/05/76/59/491057659.db2.gz CMXTWSQRAXFHLE-IONNQARKSA-N 1 1 191.278 2.168 10 0 AEAEMO CC(C)C1C[NH+](Cc2nccs2)C1 307003054 491057684 /nfs/dbraw/zinc/05/76/84/491057684.db2.gz BVRYRZUYQPZIKY-UHFFFAOYSA-N 1 1 196.319 2.231 10 0 AEAEMO CCc1nc(N[C@H]2C[C@H]2C)cc(C)[nH+]1 306998699 491057731 /nfs/dbraw/zinc/05/77/31/491057731.db2.gz CMXTWSQRAXFHLE-APPZFPTMSA-N 1 1 191.278 2.168 10 0 AEAEMO CCc1nc(N[C@H]2C[C@@H]2C)cc(C)[nH+]1 306998701 491057743 /nfs/dbraw/zinc/05/77/43/491057743.db2.gz CMXTWSQRAXFHLE-CBAPKCEASA-N 1 1 191.278 2.168 10 0 AEAEMO Cc1ccoc1C[N@@H+]1CC=CCC1 307060118 491058227 /nfs/dbraw/zinc/05/82/27/491058227.db2.gz CZPKMKXHFHVSEN-UHFFFAOYSA-N 1 1 177.247 2.350 10 0 AEAEMO CC(C)([NH2+][C@H]1CCSC1)C(F)F 307085041 491058448 /nfs/dbraw/zinc/05/84/48/491058448.db2.gz LYCLWLABKRBLPC-LURJTMIESA-N 1 1 195.278 2.125 10 0 AEAEMO CC(C)([NH2+][C@@H]1CCSC1)C(F)F 307085044 491058458 /nfs/dbraw/zinc/05/84/58/491058458.db2.gz LYCLWLABKRBLPC-ZCFIWIBFSA-N 1 1 195.278 2.125 10 0 AEAEMO CC(C)[C@@H](C)[N@H+]1CCS[C@@H](C)C1 307218175 491059606 /nfs/dbraw/zinc/05/96/06/491059606.db2.gz NDRIZISRUPOSSL-VHSXEESVSA-N 1 1 187.352 2.468 10 0 AEAEMO CC1(C)CC[N@@H+](CC2(F)CC2)C1 307144829 491058893 /nfs/dbraw/zinc/05/88/93/491058893.db2.gz MBMBCZNURQSNBR-UHFFFAOYSA-N 1 1 171.259 2.220 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CCS[C@@H](C)C1 307218172 491059681 /nfs/dbraw/zinc/05/96/81/491059681.db2.gz NDRIZISRUPOSSL-UWVGGRQHSA-N 1 1 187.352 2.468 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CCS[C@H](C)C1 307218177 491059695 /nfs/dbraw/zinc/05/96/95/491059695.db2.gz NDRIZISRUPOSSL-ZJUUUORDSA-N 1 1 187.352 2.468 10 0 AEAEMO CC(C)[C@@H](C)[N@H+]1CCS[C@H](C)C1 307218169 491059697 /nfs/dbraw/zinc/05/96/97/491059697.db2.gz NDRIZISRUPOSSL-NXEZZACHSA-N 1 1 187.352 2.468 10 0 AEAEMO Cc1ccc(C[N@@H+]2CC=CCC2)o1 307271230 491060134 /nfs/dbraw/zinc/06/01/34/491060134.db2.gz ICDIVBSAUGPRCO-UHFFFAOYSA-N 1 1 177.247 2.350 10 0 AEAEMO C[C@@H]1CCCC[N@@H+]1Cc1cocn1 307317910 491060510 /nfs/dbraw/zinc/06/05/10/491060510.db2.gz PMYSUTPLMCUHHE-SECBINFHSA-N 1 1 180.251 2.049 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1Cc1cocn1 307317910 491060511 /nfs/dbraw/zinc/06/05/11/491060511.db2.gz PMYSUTPLMCUHHE-SECBINFHSA-N 1 1 180.251 2.049 10 0 AEAEMO CC1=CCC[N@@H+](CC2(C)CC2)C1 307308995 491060540 /nfs/dbraw/zinc/06/05/40/491060540.db2.gz AJWOFZOPDUNRAR-UHFFFAOYSA-N 1 1 165.280 2.439 10 0 AEAEMO C[C@H]1CCCC[N@@H+]1Cc1cocn1 307317911 491060581 /nfs/dbraw/zinc/06/05/81/491060581.db2.gz PMYSUTPLMCUHHE-VIFPVBQESA-N 1 1 180.251 2.049 10 0 AEAEMO C[C@H]1CCCC[N@H+]1Cc1cocn1 307317911 491060582 /nfs/dbraw/zinc/06/05/82/491060582.db2.gz PMYSUTPLMCUHHE-VIFPVBQESA-N 1 1 180.251 2.049 10 0 AEAEMO C[C@@H]1CCCC[C@@H]1C[NH+]1CC(F)C1 307607614 491064737 /nfs/dbraw/zinc/06/47/37/491064737.db2.gz BVDBNQXZBKOEOF-NXEZZACHSA-N 1 1 185.286 2.466 10 0 AEAEMO CCC[N@@H+]1CC(C)=C[C@@H](C)C1 307346733 491060958 /nfs/dbraw/zinc/06/09/58/491060958.db2.gz MBPFOGUKHRQBHA-SECBINFHSA-N 1 1 153.269 2.294 10 0 AEAEMO CCC[N@@H+]1CC(C)=C[C@H](C)C1 307346734 491060973 /nfs/dbraw/zinc/06/09/73/491060973.db2.gz MBPFOGUKHRQBHA-VIFPVBQESA-N 1 1 153.269 2.294 10 0 AEAEMO C1=C[C@H]([N@@H+]2CC=CCC2)CCC1 307405973 491061364 /nfs/dbraw/zinc/06/13/64/491061364.db2.gz CBOLZRCUDJYOIC-NSHDSACASA-N 1 1 163.264 2.357 10 0 AEAEMO C1=C[C@@H]([N@@H+]2CC=CCC2)CCC1 307405970 491061398 /nfs/dbraw/zinc/06/13/98/491061398.db2.gz CBOLZRCUDJYOIC-LLVKDONJSA-N 1 1 163.264 2.357 10 0 AEAEMO C[C@@H]1CCCC[C@H]1C[NH+]1CC(F)C1 307607617 491064843 /nfs/dbraw/zinc/06/48/43/491064843.db2.gz BVDBNQXZBKOEOF-ZJUUUORDSA-N 1 1 185.286 2.466 10 0 AEAEMO C[C@H]1CCCC[C@@H]1C[NH+]1CC(F)C1 307607616 491064863 /nfs/dbraw/zinc/06/48/63/491064863.db2.gz BVDBNQXZBKOEOF-VHSXEESVSA-N 1 1 185.286 2.466 10 0 AEAEMO C[C@H]1CCCC[C@H]1C[NH+]1CC(F)C1 307607615 491064872 /nfs/dbraw/zinc/06/48/72/491064872.db2.gz BVDBNQXZBKOEOF-UWVGGRQHSA-N 1 1 185.286 2.466 10 0 AEAEMO CC1=CC[N@@H+](CC2(F)CC2)CC1 307470565 491062279 /nfs/dbraw/zinc/06/22/79/491062279.db2.gz OGVYXQTXFYUWFK-UHFFFAOYSA-N 1 1 169.243 2.141 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1CCCCF 307609908 491064911 /nfs/dbraw/zinc/06/49/11/491064911.db2.gz FVNQXYVSZOXBCP-DTORHVGOSA-N 1 1 159.248 2.219 10 0 AEAEMO CC1=CC[N@@H+](C[C@H]2C[C@H]2C)CC1 307612294 491064923 /nfs/dbraw/zinc/06/49/23/491064923.db2.gz HXVQDDBGDRHDNL-GHMZBOCLSA-N 1 1 165.280 2.294 10 0 AEAEMO CC1=CC[N@@H+](C[C@@H]2C[C@@H]2C)CC1 307612296 491064965 /nfs/dbraw/zinc/06/49/65/491064965.db2.gz HXVQDDBGDRHDNL-QWRGUYRKSA-N 1 1 165.280 2.294 10 0 AEAEMO FC(F)[C@H]1CC[N@@H+](CC2CCC2)C1 307519922 491063135 /nfs/dbraw/zinc/06/31/35/491063135.db2.gz OVJAUCKWDVPWLV-VIFPVBQESA-N 1 1 189.249 2.374 10 0 AEAEMO FC(F)[C@@H]1CC[N@@H+](CC2CCC2)C1 307519911 491063177 /nfs/dbraw/zinc/06/31/77/491063177.db2.gz OVJAUCKWDVPWLV-SECBINFHSA-N 1 1 189.249 2.374 10 0 AEAEMO CCC[N@H+]1CC[C@H](C)[C@H](F)C1 307512935 491063203 /nfs/dbraw/zinc/06/32/03/491063203.db2.gz FHQQPDXRMRYJMY-DTWKUNHWSA-N 1 1 159.248 2.076 10 0 AEAEMO CCC[N@H+]1CC[C@H](C)[C@@H](F)C1 307512936 491063221 /nfs/dbraw/zinc/06/32/21/491063221.db2.gz FHQQPDXRMRYJMY-IUCAKERBSA-N 1 1 159.248 2.076 10 0 AEAEMO CCC[N@H+]1CC[C@@H](C)[C@H](F)C1 307512937 491063258 /nfs/dbraw/zinc/06/32/58/491063258.db2.gz FHQQPDXRMRYJMY-RKDXNWHRSA-N 1 1 159.248 2.076 10 0 AEAEMO CCC[N@H+]1CC[C@@H](C)[C@@H](F)C1 307512934 491063278 /nfs/dbraw/zinc/06/32/78/491063278.db2.gz FHQQPDXRMRYJMY-BDAKNGLRSA-N 1 1 159.248 2.076 10 0 AEAEMO C[C@@H]1C[N@H+](CC2(F)CC2)C[C@@H]1C 307531328 491063544 /nfs/dbraw/zinc/06/35/44/491063544.db2.gz XAIOZOLWHXSUJT-DTORHVGOSA-N 1 1 171.259 2.076 10 0 AEAEMO CC1=CC[N@@H+](C[C@@H]2C[C@H]2C)CC1 307612295 491065067 /nfs/dbraw/zinc/06/50/67/491065067.db2.gz HXVQDDBGDRHDNL-MNOVXSKESA-N 1 1 165.280 2.294 10 0 AEAEMO C[C@H]1CC[C@H](O)C[N@H+]1CCC(C)(C)C 307550896 491063916 /nfs/dbraw/zinc/06/39/16/491063916.db2.gz YETUYEHVYLXQBA-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H]1CC[C@H](O)C[N@H+]1CCC(C)(C)C 307550895 491063950 /nfs/dbraw/zinc/06/39/50/491063950.db2.gz YETUYEHVYLXQBA-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H]1CC[C@@H](O)C[N@H+]1CCC(C)(C)C 307550894 491063957 /nfs/dbraw/zinc/06/39/57/491063957.db2.gz YETUYEHVYLXQBA-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H]1CC[C@@H](O)C[N@H+]1CCC(C)(C)C 307550897 491064055 /nfs/dbraw/zinc/06/40/55/491064055.db2.gz YETUYEHVYLXQBA-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CC1=CC[N@@H+](C[C@H]2C[C@@H]2C)CC1 307612297 491065107 /nfs/dbraw/zinc/06/51/07/491065107.db2.gz HXVQDDBGDRHDNL-WDEREUQCSA-N 1 1 165.280 2.294 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1CC[C@H]1CCCO1 307573718 491064264 /nfs/dbraw/zinc/06/42/64/491064264.db2.gz GGGHAPCYDJRVCO-OUAUKWLOSA-N 1 1 183.295 2.038 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1CC[C@@H]1CCCO1 307573715 491064268 /nfs/dbraw/zinc/06/42/68/491064268.db2.gz GGGHAPCYDJRVCO-AXFHLTTASA-N 1 1 183.295 2.038 10 0 AEAEMO CC[C@H]1CCC[N@H+]1Cc1cocn1 307620674 491065458 /nfs/dbraw/zinc/06/54/58/491065458.db2.gz OCZRRGZWIMHMPQ-JTQLQIEISA-N 1 1 180.251 2.049 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1Cc1cocn1 307620677 491065570 /nfs/dbraw/zinc/06/55/70/491065570.db2.gz OCZRRGZWIMHMPQ-SNVBAGLBSA-N 1 1 180.251 2.049 10 0 AEAEMO CC[C@H](C)[N@@H+](C)CC1(F)CC1 307631904 491065870 /nfs/dbraw/zinc/06/58/70/491065870.db2.gz ZRYRYCWRLVJBLV-QMMMGPOBSA-N 1 1 159.248 2.219 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)CC1(F)CC1 307631903 491065879 /nfs/dbraw/zinc/06/58/79/491065879.db2.gz ZRYRYCWRLVJBLV-MRVPVSSYSA-N 1 1 159.248 2.219 10 0 AEAEMO CC[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 307752149 491070332 /nfs/dbraw/zinc/07/03/32/491070332.db2.gz QONLPVVGEJJWJQ-AEJSXWLSSA-N 1 1 155.285 2.373 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1CCCF 307640425 491066321 /nfs/dbraw/zinc/06/63/21/491066321.db2.gz GBKMGUKVQQWKGH-SECBINFHSA-N 1 1 159.248 2.220 10 0 AEAEMO CC[C@H]1CCC[N@H+]1CCCF 307640426 491066361 /nfs/dbraw/zinc/06/63/61/491066361.db2.gz GBKMGUKVQQWKGH-VIFPVBQESA-N 1 1 159.248 2.220 10 0 AEAEMO CCC[N@@H+](C)C[C@@H]1CCSC1 307665488 491066830 /nfs/dbraw/zinc/06/68/30/491066830.db2.gz ATJHIUNOUIROBM-VIFPVBQESA-N 1 1 173.325 2.081 10 0 AEAEMO CC[N@H+](C)Cc1nc2c(s1)CCC2 307667601 491066835 /nfs/dbraw/zinc/06/68/35/491066835.db2.gz OWLFCZWEZJKVGY-UHFFFAOYSA-N 1 1 196.319 2.084 10 0 AEAEMO CC[N@@H+](C)Cc1nc2c(s1)CCC2 307667601 491066836 /nfs/dbraw/zinc/06/68/36/491066836.db2.gz OWLFCZWEZJKVGY-UHFFFAOYSA-N 1 1 196.319 2.084 10 0 AEAEMO CCC[N@@H+](C)C[C@H]1CCSC1 307665485 491066921 /nfs/dbraw/zinc/06/69/21/491066921.db2.gz ATJHIUNOUIROBM-SECBINFHSA-N 1 1 173.325 2.081 10 0 AEAEMO CC1(C[N@H+]2CCCSCC2)CC1 307670329 491066926 /nfs/dbraw/zinc/06/69/26/491066926.db2.gz UQDRIVOTIQPYLE-UHFFFAOYSA-N 1 1 185.336 2.225 10 0 AEAEMO CC(C)C[N@@H+](C)CC1(F)CC1 307665094 491066984 /nfs/dbraw/zinc/06/69/84/491066984.db2.gz AOYLKVVPOXCXIQ-UHFFFAOYSA-N 1 1 159.248 2.076 10 0 AEAEMO CC[C@H]1CC[N@@H+](CCCF)C1 307682576 491067385 /nfs/dbraw/zinc/06/73/85/491067385.db2.gz FRMZBYHXZYYQQM-VIFPVBQESA-N 1 1 159.248 2.078 10 0 AEAEMO CC[C@H]1CC[N@H+]1CCC1CC1 307682775 491067419 /nfs/dbraw/zinc/06/74/19/491067419.db2.gz GDECDPZMEFFSQM-JTQLQIEISA-N 1 1 153.269 2.271 10 0 AEAEMO CC[C@@H]1CC[N@H+]1CCC1CC1 307682776 491067435 /nfs/dbraw/zinc/06/74/35/491067435.db2.gz GDECDPZMEFFSQM-SNVBAGLBSA-N 1 1 153.269 2.271 10 0 AEAEMO CC[C@@H]1CC[N@@H+](CCCF)C1 307682575 491067460 /nfs/dbraw/zinc/06/74/60/491067460.db2.gz FRMZBYHXZYYQQM-SECBINFHSA-N 1 1 159.248 2.078 10 0 AEAEMO CC(C)[C@H]1CC[N@@H+](CC2(F)CC2)C1 307684732 491067698 /nfs/dbraw/zinc/06/76/98/491067698.db2.gz WIZSYTYQUOJBIC-JTQLQIEISA-N 1 1 185.286 2.466 10 0 AEAEMO CC(C)[C@@H]1CC[N@@H+](CC2(F)CC2)C1 307684733 491067745 /nfs/dbraw/zinc/06/77/45/491067745.db2.gz WIZSYTYQUOJBIC-SNVBAGLBSA-N 1 1 185.286 2.466 10 0 AEAEMO C[N@@H+](CC1CC1)CC1(C)CC1 307691070 491068033 /nfs/dbraw/zinc/06/80/33/491068033.db2.gz PIUCCJCADJZJNL-UHFFFAOYSA-N 1 1 153.269 2.128 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1CC1(F)CC1 307699647 491068323 /nfs/dbraw/zinc/06/83/23/491068323.db2.gz PAYSJEAJUVDRQM-SECBINFHSA-N 1 1 171.259 2.363 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+]1CC=CCC1 307698788 491068348 /nfs/dbraw/zinc/06/83/48/491068348.db2.gz NMSGQPGRPSNIGS-SNVBAGLBSA-N 1 1 153.269 2.293 10 0 AEAEMO CC[C@H]1CCC[N@H+]1CC1(F)CC1 307699648 491068357 /nfs/dbraw/zinc/06/83/57/491068357.db2.gz PAYSJEAJUVDRQM-VIFPVBQESA-N 1 1 171.259 2.363 10 0 AEAEMO CC(C)[C@H](C)[N@@H+]1CC=CCC1 307698787 491068442 /nfs/dbraw/zinc/06/84/42/491068442.db2.gz NMSGQPGRPSNIGS-JTQLQIEISA-N 1 1 153.269 2.293 10 0 AEAEMO CC(C)[C@@H](C)[N@H+]1CCOC(C)(C)C1 307702998 491068591 /nfs/dbraw/zinc/06/85/91/491068591.db2.gz UXBAFDFUEMTDOK-SNVBAGLBSA-N 1 1 185.311 2.142 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CCOC(C)(C)C1 307702997 491068692 /nfs/dbraw/zinc/06/86/92/491068692.db2.gz UXBAFDFUEMTDOK-JTQLQIEISA-N 1 1 185.311 2.142 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+]1CCC(F)(F)C1 307751033 491070221 /nfs/dbraw/zinc/07/02/21/491070221.db2.gz MFMWFYPXJRYIFD-MRVPVSSYSA-N 1 1 177.238 2.372 10 0 AEAEMO CC(C)[C@@H](C)[N@H+]1CCC(F)(F)C1 307751033 491070222 /nfs/dbraw/zinc/07/02/22/491070222.db2.gz MFMWFYPXJRYIFD-MRVPVSSYSA-N 1 1 177.238 2.372 10 0 AEAEMO C[C@@H]1CC[N@@H+](CCCF)C[C@@H]1F 307742811 491069617 /nfs/dbraw/zinc/06/96/17/491069617.db2.gz LDUIUFBUDDRLOO-BDAKNGLRSA-N 1 1 177.238 2.026 10 0 AEAEMO CC[C@@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 307752152 491070232 /nfs/dbraw/zinc/07/02/32/491070232.db2.gz QONLPVVGEJJWJQ-KXUCPTDWSA-N 1 1 155.285 2.373 10 0 AEAEMO CC[C@@H]1C[N@@H+]([C@H](C)CC)C[C@@H](C)O1 307744651 491069732 /nfs/dbraw/zinc/06/97/32/491069732.db2.gz PHWMZQPVOJUXIY-GMTAPVOTSA-N 1 1 185.311 2.284 10 0 AEAEMO C[C@@H]1CC[N@@H+](CCCF)C[C@H]1F 307742814 491069747 /nfs/dbraw/zinc/06/97/47/491069747.db2.gz LDUIUFBUDDRLOO-RKDXNWHRSA-N 1 1 177.238 2.026 10 0 AEAEMO C[C@H]1CC[N@@H+](CCCF)C[C@@H]1F 307742813 491069810 /nfs/dbraw/zinc/06/98/10/491069810.db2.gz LDUIUFBUDDRLOO-IUCAKERBSA-N 1 1 177.238 2.026 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@@H](C)O[C@H](CC)C1 307744652 491069843 /nfs/dbraw/zinc/06/98/43/491069843.db2.gz PHWMZQPVOJUXIY-HBNTYKKESA-N 1 1 185.311 2.284 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@H](C)O[C@H](CC)C1 307744650 491069864 /nfs/dbraw/zinc/06/98/64/491069864.db2.gz PHWMZQPVOJUXIY-GARJFASQSA-N 1 1 185.311 2.284 10 0 AEAEMO CC[C@@H]1C[N@@H+]([C@H](C)CC)C[C@H](C)O1 307744653 491069889 /nfs/dbraw/zinc/06/98/89/491069889.db2.gz PHWMZQPVOJUXIY-OUAUKWLOSA-N 1 1 185.311 2.284 10 0 AEAEMO C[C@H]1CC[N@@H+](CCCF)C[C@H]1F 307742812 491069894 /nfs/dbraw/zinc/06/98/94/491069894.db2.gz LDUIUFBUDDRLOO-DTWKUNHWSA-N 1 1 177.238 2.026 10 0 AEAEMO CC(C)[C@H](C)[N@@H+]1CCC(F)(F)C1 307751034 491070178 /nfs/dbraw/zinc/07/01/78/491070178.db2.gz MFMWFYPXJRYIFD-QMMMGPOBSA-N 1 1 177.238 2.372 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CCC(F)(F)C1 307751034 491070179 /nfs/dbraw/zinc/07/01/79/491070179.db2.gz MFMWFYPXJRYIFD-QMMMGPOBSA-N 1 1 177.238 2.372 10 0 AEAEMO CCCC[N@@H+](C)CC1(F)CC1 307861086 491070745 /nfs/dbraw/zinc/07/07/45/491070745.db2.gz GXLLWHIDNLVLPN-UHFFFAOYSA-N 1 1 159.248 2.220 10 0 AEAEMO CC[N@@H+](CCCF)CC1CC1 307858300 491070755 /nfs/dbraw/zinc/07/07/55/491070755.db2.gz FLYAITRQIQXIMK-UHFFFAOYSA-N 1 1 159.248 2.078 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)CCCF 307893299 491071171 /nfs/dbraw/zinc/07/11/71/491071171.db2.gz GOPFIYNCVUETMQ-VIFPVBQESA-N 1 1 161.264 2.322 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)CCCF 307893298 491071184 /nfs/dbraw/zinc/07/11/84/491071184.db2.gz GOPFIYNCVUETMQ-SECBINFHSA-N 1 1 161.264 2.322 10 0 AEAEMO CCCCC[N@@H+](C)C[C@@H](C)OC 307937378 491071759 /nfs/dbraw/zinc/07/17/59/491071759.db2.gz AGOUEYBURTUSPF-SNVBAGLBSA-N 1 1 173.300 2.143 10 0 AEAEMO CCCCC[N@@H+](C)C[C@H](C)OC 307937376 491071778 /nfs/dbraw/zinc/07/17/78/491071778.db2.gz AGOUEYBURTUSPF-JTQLQIEISA-N 1 1 173.300 2.143 10 0 AEAEMO CC(C)[N@@H+](CCCF)CC1CC1 307938865 491071828 /nfs/dbraw/zinc/07/18/28/491071828.db2.gz AJHOYIGZAJXWNG-UHFFFAOYSA-N 1 1 173.275 2.466 10 0 AEAEMO CC[N@H+](CC(F)F)CC1CCC1 307944403 491072197 /nfs/dbraw/zinc/07/21/97/491072197.db2.gz GWZHAWDDCUVIGU-UHFFFAOYSA-N 1 1 177.238 2.374 10 0 AEAEMO CC[N@@H+](CC(F)F)CC1CCC1 307944403 491072198 /nfs/dbraw/zinc/07/21/98/491072198.db2.gz GWZHAWDDCUVIGU-UHFFFAOYSA-N 1 1 177.238 2.374 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)CC1(F)CC1 307961221 491073099 /nfs/dbraw/zinc/07/30/99/491073099.db2.gz XBHWPAYYPHSDSQ-SECBINFHSA-N 1 1 173.275 2.466 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)CC1(F)CC1 307961224 491073131 /nfs/dbraw/zinc/07/31/31/491073131.db2.gz XBHWPAYYPHSDSQ-VIFPVBQESA-N 1 1 173.275 2.466 10 0 AEAEMO CCCC[N@@H+](C)C[C@H](C)COC 307962185 491073337 /nfs/dbraw/zinc/07/33/37/491073337.db2.gz YADIMPCWBZHEED-JTQLQIEISA-N 1 1 173.300 2.001 10 0 AEAEMO CCCC[N@@H+](C)C[C@@H](C)COC 307962186 491073364 /nfs/dbraw/zinc/07/33/64/491073364.db2.gz YADIMPCWBZHEED-SNVBAGLBSA-N 1 1 173.300 2.001 10 0 AEAEMO CC[N@@H+](CCCCF)CC1CC1 307972041 491073845 /nfs/dbraw/zinc/07/38/45/491073845.db2.gz HUZKIMPOROWZHJ-UHFFFAOYSA-N 1 1 173.275 2.468 10 0 AEAEMO CC[C@@H]1[C@H](C)CC[N@H+]1CCCF 307972518 491073860 /nfs/dbraw/zinc/07/38/60/491073860.db2.gz IBSGCTPSMNBFBY-NXEZZACHSA-N 1 1 173.275 2.466 10 0 AEAEMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCCF 307972520 491073909 /nfs/dbraw/zinc/07/39/09/491073909.db2.gz IBSGCTPSMNBFBY-VHSXEESVSA-N 1 1 173.275 2.466 10 0 AEAEMO CC[C@H]1[C@@H](C)CC[N@H+]1CCCF 307972519 491073957 /nfs/dbraw/zinc/07/39/57/491073957.db2.gz IBSGCTPSMNBFBY-UWVGGRQHSA-N 1 1 173.275 2.466 10 0 AEAEMO CC[C@H]1[C@H](C)CC[N@H+]1CCCF 307972521 491073978 /nfs/dbraw/zinc/07/39/78/491073978.db2.gz IBSGCTPSMNBFBY-ZJUUUORDSA-N 1 1 173.275 2.466 10 0 AEAEMO C[C@@H](C1CC1)[N@@H+](C)CCCCF 307994380 491075003 /nfs/dbraw/zinc/07/50/03/491075003.db2.gz AWDKPOWDIORHPI-VIFPVBQESA-N 1 1 173.275 2.466 10 0 AEAEMO C[C@H](C1CC1)[N@@H+](C)CCCCF 307994378 491075040 /nfs/dbraw/zinc/07/50/40/491075040.db2.gz AWDKPOWDIORHPI-SECBINFHSA-N 1 1 173.275 2.466 10 0 AEAEMO C[N@@H+](CCCF)CC1CCCC1 308026390 491076299 /nfs/dbraw/zinc/07/62/99/491076299.db2.gz ZMJIQPJWELMXHQ-UHFFFAOYSA-N 1 1 173.275 2.468 10 0 AEAEMO CC1=CC[N@@H+](CCCCF)CC1 308006159 491075938 /nfs/dbraw/zinc/07/59/38/491075938.db2.gz DHJBKTLURBSUKK-UHFFFAOYSA-N 1 1 171.259 2.388 10 0 AEAEMO CC[N@@H+](Cc1cncs1)C1CC1 308052668 491076899 /nfs/dbraw/zinc/07/68/99/491076899.db2.gz SRXCENKVKDLQRL-UHFFFAOYSA-N 1 1 182.292 2.127 10 0 AEAEMO C[C@H]1C[N@@H+](CCCCF)CCS1 308053831 491077039 /nfs/dbraw/zinc/07/70/39/491077039.db2.gz TVIAFKNUMILCMZ-VIFPVBQESA-N 1 1 191.315 2.173 10 0 AEAEMO Cc1[nH+]cn(CCCCF)c1C 308069990 491077434 /nfs/dbraw/zinc/07/74/34/491077434.db2.gz AXXMDICBWSCZQB-UHFFFAOYSA-N 1 1 170.231 2.250 10 0 AEAEMO FCCCCC[N@@H+]1CC=CCC1 308076902 491077639 /nfs/dbraw/zinc/07/76/39/491077639.db2.gz GAOSGPVKPWVFPV-UHFFFAOYSA-N 1 1 171.259 2.388 10 0 AEAEMO FCCCC[N@@H+]1CCC=C(F)C1 308079403 491077862 /nfs/dbraw/zinc/07/78/62/491077862.db2.gz IAUUQCJPRRAYPW-UHFFFAOYSA-N 1 1 175.222 2.295 10 0 AEAEMO FCCCC[N@H+]1CCC=C(F)C1 308079403 491077863 /nfs/dbraw/zinc/07/78/63/491077863.db2.gz IAUUQCJPRRAYPW-UHFFFAOYSA-N 1 1 175.222 2.295 10 0 AEAEMO FCCCC[N@H+]1CCCSCC1 308091091 491078142 /nfs/dbraw/zinc/07/81/42/491078142.db2.gz SZSLTRABJATBQT-UHFFFAOYSA-N 1 1 191.315 2.175 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCCOCC1 308145886 491080757 /nfs/dbraw/zinc/08/07/57/491080757.db2.gz AFOCSKDEOVJNRQ-LLVKDONJSA-N 1 1 185.311 2.145 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCCOCC1 308145888 491080761 /nfs/dbraw/zinc/08/07/61/491080761.db2.gz AFOCSKDEOVJNRQ-NSHDSACASA-N 1 1 185.311 2.145 10 0 AEAEMO C[N@@H+](CCCCCF)CC1CC1 308163739 491081981 /nfs/dbraw/zinc/08/19/81/491081981.db2.gz SZLLLQUHOXEUCT-UHFFFAOYSA-N 1 1 173.275 2.468 10 0 AEAEMO C[N@@H+](CC1CC1)C[C@H]1CCSC1 308168376 491082371 /nfs/dbraw/zinc/08/23/71/491082371.db2.gz VKVLELADLCJMNS-SNVBAGLBSA-N 1 1 185.336 2.081 10 0 AEAEMO C[N@@H+](CC1CC1)C[C@@H]1CCSC1 308168368 491082412 /nfs/dbraw/zinc/08/24/12/491082412.db2.gz VKVLELADLCJMNS-JTQLQIEISA-N 1 1 185.336 2.081 10 0 AEAEMO CCC[N@@H+](C)Cc1cncc(F)c1 308174600 491082740 /nfs/dbraw/zinc/08/27/40/491082740.db2.gz CSAGSZDHFWAGPO-UHFFFAOYSA-N 1 1 182.242 2.063 10 0 AEAEMO CCOCC[N@@H+](C)CCCC(C)C 308182080 491083016 /nfs/dbraw/zinc/08/30/16/491083016.db2.gz GZOJCKPOWCQJHH-UHFFFAOYSA-N 1 1 187.327 2.391 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)CCCOC 308208394 491084301 /nfs/dbraw/zinc/08/43/01/491084301.db2.gz DSJGGPYSUWXUNE-LLVKDONJSA-N 1 1 187.327 2.391 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)CCCOC 308208395 491084421 /nfs/dbraw/zinc/08/44/21/491084421.db2.gz DSJGGPYSUWXUNE-NSHDSACASA-N 1 1 187.327 2.391 10 0 AEAEMO CC[N@@H+](CCCC(C)C)CCOC 308213428 491084538 /nfs/dbraw/zinc/08/45/38/491084538.db2.gz HQADBNRZQUBQJU-UHFFFAOYSA-N 1 1 187.327 2.391 10 0 AEAEMO CCCCOCC[N@@H+]1CC=CCC1 308211117 491084562 /nfs/dbraw/zinc/08/45/62/491084562.db2.gz GNYOLTBGMDJKSN-UHFFFAOYSA-N 1 1 183.295 2.065 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)C[C@@H](C)OC 308216368 491084827 /nfs/dbraw/zinc/08/48/27/491084827.db2.gz JPJMOYKNNTYBQX-WDEREUQCSA-N 1 1 187.327 2.389 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)C[C@H](C)OC 308216365 491084925 /nfs/dbraw/zinc/08/49/25/491084925.db2.gz JPJMOYKNNTYBQX-MNOVXSKESA-N 1 1 187.327 2.389 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)C[C@@H](C)OC 308216364 491084969 /nfs/dbraw/zinc/08/49/69/491084969.db2.gz JPJMOYKNNTYBQX-GHMZBOCLSA-N 1 1 187.327 2.389 10 0 AEAEMO CC[N@@H+](C)Cc1scnc1C1CC1 308215163 491084988 /nfs/dbraw/zinc/08/49/88/491084988.db2.gz IYUJTADJOGNEOC-UHFFFAOYSA-N 1 1 196.319 2.472 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)C[C@H](C)OC 308216366 491085031 /nfs/dbraw/zinc/08/50/31/491085031.db2.gz JPJMOYKNNTYBQX-QWRGUYRKSA-N 1 1 187.327 2.389 10 0 AEAEMO COC(C)(C)C[N@@H+](C)CCCCF 308219430 491085526 /nfs/dbraw/zinc/08/55/26/491085526.db2.gz BTHVCTQHQLYCSF-UHFFFAOYSA-N 1 1 191.290 2.093 10 0 AEAEMO CCCC[N@H+]1CC[C@H](C)[C@H](OC)C1 308234837 491086812 /nfs/dbraw/zinc/08/68/12/491086812.db2.gz QIVFJIGDUVIXOY-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO CCCC[N@H+]1CC[C@@H](C)[C@@H](OC)C1 308234833 491086732 /nfs/dbraw/zinc/08/67/32/491086732.db2.gz QIVFJIGDUVIXOY-MNOVXSKESA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@@H](O)C[N@@H+](C)C1(C)CCCC1 308237417 491086738 /nfs/dbraw/zinc/08/67/38/491086738.db2.gz RGICIWVJQBNWFC-SNVBAGLBSA-N 1 1 185.311 2.022 10 0 AEAEMO CCCC[N@H+]1CC[C@H](C)[C@@H](OC)C1 308234834 491086751 /nfs/dbraw/zinc/08/67/51/491086751.db2.gz QIVFJIGDUVIXOY-QWRGUYRKSA-N 1 1 185.311 2.143 10 0 AEAEMO CCCC[N@H+]1CC[C@@H](C)[C@H](OC)C1 308234830 491086774 /nfs/dbraw/zinc/08/67/74/491086774.db2.gz QIVFJIGDUVIXOY-GHMZBOCLSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@@H](COC)[NH2+]C(C)(C)C(F)F 308241306 491086940 /nfs/dbraw/zinc/08/69/40/491086940.db2.gz SVWWLHQYAQKVKU-ZETCQYMHSA-N 1 1 195.253 2.045 10 0 AEAEMO CC[C@H](COC)[NH2+]C(C)(C)C(F)F 308241305 491086970 /nfs/dbraw/zinc/08/69/70/491086970.db2.gz SVWWLHQYAQKVKU-SSDOTTSWSA-N 1 1 195.253 2.045 10 0 AEAEMO CCC[N@H+]1CCC[C@H](OC(F)F)C1 308244974 491087170 /nfs/dbraw/zinc/08/71/70/491087170.db2.gz UXVOIDUNJOVHCP-QMMMGPOBSA-N 1 1 193.237 2.100 10 0 AEAEMO CCC[N@H+]1CCC[C@@H](OC(F)F)C1 308244973 491087275 /nfs/dbraw/zinc/08/72/75/491087275.db2.gz UXVOIDUNJOVHCP-MRVPVSSYSA-N 1 1 193.237 2.100 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1C[C@H](C)COC 308246970 491087361 /nfs/dbraw/zinc/08/73/61/491087361.db2.gz WVOHCYOOFOHTND-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[N@H+](Cc1cocn1)C1CCC1 308246243 491087397 /nfs/dbraw/zinc/08/73/97/491087397.db2.gz VZAVHLGYAHONBT-UHFFFAOYSA-N 1 1 180.251 2.049 10 0 AEAEMO CC[N@@H+](Cc1cocn1)C1CCC1 308246243 491087398 /nfs/dbraw/zinc/08/73/98/491087398.db2.gz VZAVHLGYAHONBT-UHFFFAOYSA-N 1 1 180.251 2.049 10 0 AEAEMO CC[C@H]1CCC[N@H+]1C[C@H](C)COC 308246969 491087448 /nfs/dbraw/zinc/08/74/48/491087448.db2.gz WVOHCYOOFOHTND-QWRGUYRKSA-N 1 1 185.311 2.143 10 0 AEAEMO CCCCC[N@@H+](C)[C@H]1C[C@@H](OC)C1 308246277 491087454 /nfs/dbraw/zinc/08/74/54/491087454.db2.gz WAZVTMCEOWTVGD-PHIMTYICSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@H]1CCC[N@H+]1C[C@@H](C)COC 308246968 491087500 /nfs/dbraw/zinc/08/75/00/491087500.db2.gz WVOHCYOOFOHTND-MNOVXSKESA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1C[C@@H](C)COC 308246967 491087580 /nfs/dbraw/zinc/08/75/80/491087580.db2.gz WVOHCYOOFOHTND-GHMZBOCLSA-N 1 1 185.311 2.143 10 0 AEAEMO COCC1([N@@H+](C)CC=C(C)C)CC1 308252900 491088847 /nfs/dbraw/zinc/08/88/47/491088847.db2.gz GVGDHNPWOIVUHA-UHFFFAOYSA-N 1 1 183.295 2.063 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)Cc1cocn1 308253658 491089080 /nfs/dbraw/zinc/08/90/80/491089080.db2.gz CPGZCJALWVNVDH-VIFPVBQESA-N 1 1 182.267 2.153 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)Cc1cocn1 308253656 491089145 /nfs/dbraw/zinc/08/91/45/491089145.db2.gz CPGZCJALWVNVDH-SECBINFHSA-N 1 1 182.267 2.153 10 0 AEAEMO C[N@H+](Cc1ccoc1)CC1(F)CC1 308272043 491090935 /nfs/dbraw/zinc/09/09/35/491090935.db2.gz SOPPGQAZDIXQNX-UHFFFAOYSA-N 1 1 183.226 2.214 10 0 AEAEMO C[N@@H+](Cc1ccoc1)CC1(F)CC1 308272043 491090936 /nfs/dbraw/zinc/09/09/36/491090936.db2.gz SOPPGQAZDIXQNX-UHFFFAOYSA-N 1 1 183.226 2.214 10 0 AEAEMO C[C@@H]1CC[N@@H+](CCCCF)C[C@@H]1F 308273808 491091260 /nfs/dbraw/zinc/09/12/60/491091260.db2.gz UGSDOLRUFCJXIM-ZJUUUORDSA-N 1 1 191.265 2.416 10 0 AEAEMO C[C@H]1CC[N@@H+](CCCCF)C[C@@H]1F 308273806 491091269 /nfs/dbraw/zinc/09/12/69/491091269.db2.gz UGSDOLRUFCJXIM-UWVGGRQHSA-N 1 1 191.265 2.416 10 0 AEAEMO C[C@@H]1CC[N@@H+](CCCCF)C[C@H]1F 308273805 491091334 /nfs/dbraw/zinc/09/13/34/491091334.db2.gz UGSDOLRUFCJXIM-NXEZZACHSA-N 1 1 191.265 2.416 10 0 AEAEMO C[C@H]1CC[N@@H+](CCCCF)C[C@H]1F 308273807 491091376 /nfs/dbraw/zinc/09/13/76/491091376.db2.gz UGSDOLRUFCJXIM-VHSXEESVSA-N 1 1 191.265 2.416 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@H]1C[C@@H](OC)C1 308284745 491092199 /nfs/dbraw/zinc/09/21/99/491092199.db2.gz CTKPUVHFCZBEGJ-GARJFASQSA-N 1 1 185.311 2.142 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)[C@H]1C[C@@H](OC)C1 308284750 491092244 /nfs/dbraw/zinc/09/22/44/491092244.db2.gz CTKPUVHFCZBEGJ-MXWKQRLJSA-N 1 1 185.311 2.142 10 0 AEAEMO CCOCC[N@@H+](C)C1(C)CCCC1 308288512 491093123 /nfs/dbraw/zinc/09/31/23/491093123.db2.gz BYCWXVRJDASCIF-UHFFFAOYSA-N 1 1 185.311 2.287 10 0 AEAEMO CCC(C)(C)CC[N@@H+](C)CCCO 308296264 491094094 /nfs/dbraw/zinc/09/40/94/491094094.db2.gz JZTVLQVIGPPGDQ-UHFFFAOYSA-N 1 1 187.327 2.127 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)Cc1cc[nH]n1 308290488 491093321 /nfs/dbraw/zinc/09/33/21/491093321.db2.gz GTSCOHDFZHKENI-VIFPVBQESA-N 1 1 181.283 2.030 10 0 AEAEMO CCOC[C@@H](C)[NH2+]C(C)(C)C(F)F 308291572 491093342 /nfs/dbraw/zinc/09/33/42/491093342.db2.gz FECWKIFLGJBJMR-SSDOTTSWSA-N 1 1 195.253 2.045 10 0 AEAEMO CCOCC[N@@H+](CC)CCCCF 308290275 491093373 /nfs/dbraw/zinc/09/33/73/491093373.db2.gz DIQIHGCLGDJOPJ-UHFFFAOYSA-N 1 1 191.290 2.095 10 0 AEAEMO CCOC[C@H](C)[NH2+]C(C)(C)C(F)F 308291573 491093393 /nfs/dbraw/zinc/09/33/93/491093393.db2.gz FECWKIFLGJBJMR-ZETCQYMHSA-N 1 1 195.253 2.045 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)Cc1cc[nH]n1 308290487 491093553 /nfs/dbraw/zinc/09/35/53/491093553.db2.gz GTSCOHDFZHKENI-SECBINFHSA-N 1 1 181.283 2.030 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)Cc1cocn1 308295319 491094033 /nfs/dbraw/zinc/09/40/33/491094033.db2.gz JSQQPBFJWCTJNF-VIFPVBQESA-N 1 1 182.267 2.295 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)Cc1cocn1 308295318 491094042 /nfs/dbraw/zinc/09/40/42/491094042.db2.gz JSQQPBFJWCTJNF-SECBINFHSA-N 1 1 182.267 2.295 10 0 AEAEMO CCC(C)(C)[N@@H+](C)Cc1cc[nH]n1 308296744 491094084 /nfs/dbraw/zinc/09/40/84/491094084.db2.gz KGPAFMYZYUPXLT-UHFFFAOYSA-N 1 1 181.283 2.030 10 0 AEAEMO CO[C@@H](C)C[N@@H+](C)CCCCCF 308323729 491096931 /nfs/dbraw/zinc/09/69/31/491096931.db2.gz DDYPNIIHNRZAOY-JTQLQIEISA-N 1 1 191.290 2.093 10 0 AEAEMO CCC[N@@H+](C[C@@H](C)COC)C1CC1 308325048 491096941 /nfs/dbraw/zinc/09/69/41/491096941.db2.gz DUGDTVQFTNZEPG-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO COCCC[N@H+]1CCCC[C@H](C)C1 308324043 491096955 /nfs/dbraw/zinc/09/69/55/491096955.db2.gz DFJIMTVCVIJSBY-NSHDSACASA-N 1 1 185.311 2.145 10 0 AEAEMO CCOC1CC([N@@H+](C)CC(C)C)C1 308324063 491096972 /nfs/dbraw/zinc/09/69/72/491096972.db2.gz DGLVINQFXXANEQ-UHFFFAOYSA-N 1 1 185.311 2.142 10 0 AEAEMO COCCC[N@H+]1CCCC[C@@H](C)C1 308323770 491096986 /nfs/dbraw/zinc/09/69/86/491096986.db2.gz DFJIMTVCVIJSBY-LLVKDONJSA-N 1 1 185.311 2.145 10 0 AEAEMO CO[C@H](C)C[N@@H+](C)CCCCCF 308323730 491096993 /nfs/dbraw/zinc/09/69/93/491096993.db2.gz DDYPNIIHNRZAOY-SNVBAGLBSA-N 1 1 191.290 2.093 10 0 AEAEMO CCC[N@@H+](C[C@H](C)COC)C1CC1 308325047 491097045 /nfs/dbraw/zinc/09/70/45/491097045.db2.gz DUGDTVQFTNZEPG-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)C[C@@H](C)COC 308333501 491097948 /nfs/dbraw/zinc/09/79/48/491097948.db2.gz KAGJWJJXQNQBSH-MNOVXSKESA-N 1 1 187.327 2.389 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)C[C@H](C)COC 308333502 491097950 /nfs/dbraw/zinc/09/79/50/491097950.db2.gz KAGJWJJXQNQBSH-QWRGUYRKSA-N 1 1 187.327 2.389 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1CCOC(C)(C)C 308335706 491097970 /nfs/dbraw/zinc/09/79/70/491097970.db2.gz NWXCJUUYWUUNPL-AOOOYVTPSA-N 1 1 185.311 2.284 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)C[C@H](C)COC 308333504 491098004 /nfs/dbraw/zinc/09/80/04/491098004.db2.gz KAGJWJJXQNQBSH-WDEREUQCSA-N 1 1 187.327 2.389 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)C[C@@H](C)COC 308333499 491098006 /nfs/dbraw/zinc/09/80/06/491098006.db2.gz KAGJWJJXQNQBSH-GHMZBOCLSA-N 1 1 187.327 2.389 10 0 AEAEMO COCCC[N@@H+](C)CC1(C)CCC1 308362467 491098879 /nfs/dbraw/zinc/09/88/79/491098879.db2.gz MPTQGXKFVHWYIG-UHFFFAOYSA-N 1 1 185.311 2.145 10 0 AEAEMO CC[N@@H+](CC(C)C)C[C@H](C)COC 308391811 491100589 /nfs/dbraw/zinc/10/05/89/491100589.db2.gz ZYZNMJCIUWGIFC-NSHDSACASA-N 1 1 187.327 2.247 10 0 AEAEMO COCCC[N@@H+](C)C1(C)CCCC1 308362152 491098786 /nfs/dbraw/zinc/09/87/86/491098786.db2.gz MMUAWRIZUPFNJA-UHFFFAOYSA-N 1 1 185.311 2.287 10 0 AEAEMO CC[N@@H+](C)Cc1cnc(C2CC2)s1 308364370 491098846 /nfs/dbraw/zinc/09/88/46/491098846.db2.gz NNPQRGZSSUOYKP-UHFFFAOYSA-N 1 1 196.319 2.472 10 0 AEAEMO CC[N@H+](Cc1cocn1)CC(C)C 308366711 491099100 /nfs/dbraw/zinc/09/91/00/491099100.db2.gz OKCIHWDUKNCKCI-UHFFFAOYSA-N 1 1 182.267 2.153 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCOC[C@H]1C 308374100 491099333 /nfs/dbraw/zinc/09/93/33/491099333.db2.gz RKEKGPXBLDWHQK-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCOC[C@H]1C 308374098 491099341 /nfs/dbraw/zinc/09/93/41/491099341.db2.gz RKEKGPXBLDWHQK-GHMZBOCLSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CC[C@H](OC)C1 308384853 491100077 /nfs/dbraw/zinc/10/00/77/491100077.db2.gz WJXIKFBTAOJNHY-MNOVXSKESA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@H](OC)C1 308384854 491100246 /nfs/dbraw/zinc/10/02/46/491100246.db2.gz WJXIKFBTAOJNHY-QWRGUYRKSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[N@@H+](CC(C)C)C[C@@H](C)COC 308391809 491100561 /nfs/dbraw/zinc/10/05/61/491100561.db2.gz ZYZNMJCIUWGIFC-LLVKDONJSA-N 1 1 187.327 2.247 10 0 AEAEMO COCCCCC[N@H+]1[C@@H](C)C[C@H]1C 308393470 491100806 /nfs/dbraw/zinc/10/08/06/491100806.db2.gz CBXRTYHJNLFAMB-PHIMTYICSA-N 1 1 185.311 2.286 10 0 AEAEMO COCC(C)(C)C[N@@H+](C)CC1CC1 308394956 491100899 /nfs/dbraw/zinc/10/08/99/491100899.db2.gz CSEVLCQKUFFCTE-UHFFFAOYSA-N 1 1 185.311 2.001 10 0 AEAEMO CCCC[N@@H+](CC)Cc1cocn1 308420242 491102737 /nfs/dbraw/zinc/10/27/37/491102737.db2.gz OMLXGXNGPZAATR-UHFFFAOYSA-N 1 1 182.267 2.297 10 0 AEAEMO COC[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 308403106 491101605 /nfs/dbraw/zinc/10/16/05/491101605.db2.gz IBIKZSOZRWJBAT-MNOVXSKESA-N 1 1 185.311 2.001 10 0 AEAEMO COC[C@H](C)C[N@H+]1CCC[C@H](C)C1 308403110 491101625 /nfs/dbraw/zinc/10/16/25/491101625.db2.gz IBIKZSOZRWJBAT-WDEREUQCSA-N 1 1 185.311 2.001 10 0 AEAEMO COC[C@@H](C)C[N@H+]1CCC[C@H](C)C1 308403108 491101679 /nfs/dbraw/zinc/10/16/79/491101679.db2.gz IBIKZSOZRWJBAT-QWRGUYRKSA-N 1 1 185.311 2.001 10 0 AEAEMO COC[C@H](C)C[N@H+]1CCC[C@@H](C)C1 308403105 491101701 /nfs/dbraw/zinc/10/17/01/491101701.db2.gz IBIKZSOZRWJBAT-GHMZBOCLSA-N 1 1 185.311 2.001 10 0 AEAEMO C[N@H+](Cc1ccco1)CC1(F)CC1 308407247 491101864 /nfs/dbraw/zinc/10/18/64/491101864.db2.gz KAYLQNINAKKXNJ-UHFFFAOYSA-N 1 1 183.226 2.214 10 0 AEAEMO C[N@@H+](Cc1ccco1)CC1(F)CC1 308407247 491101866 /nfs/dbraw/zinc/10/18/66/491101866.db2.gz KAYLQNINAKKXNJ-UHFFFAOYSA-N 1 1 183.226 2.214 10 0 AEAEMO COCC(C)(C)C[N@H+]1[C@@H](C)C[C@H]1C 308410903 491102232 /nfs/dbraw/zinc/10/22/32/491102232.db2.gz LQFGGEVPKJGMFT-AOOOYVTPSA-N 1 1 185.311 2.142 10 0 AEAEMO COC[C@H](C)C[N@H+]1[C@@H](C)CC[C@H]1C 308432409 491103568 /nfs/dbraw/zinc/10/35/68/491103568.db2.gz UKMUIWXZWWBGNK-MXWKQRLJSA-N 1 1 185.311 2.142 10 0 AEAEMO COC[C@@H](C)C[N@H+]1[C@@H](C)CC[C@H]1C 308432401 491103711 /nfs/dbraw/zinc/10/37/11/491103711.db2.gz UKMUIWXZWWBGNK-GARJFASQSA-N 1 1 185.311 2.142 10 0 AEAEMO COC[C@@H](C)C[N@H+]1CCCC[C@@H]1C 308436723 491104162 /nfs/dbraw/zinc/10/41/62/491104162.db2.gz WYWWOAIHWFVPIK-QWRGUYRKSA-N 1 1 185.311 2.143 10 0 AEAEMO Cc1cnc(C[N@@H+](C)CC2CC2)s1 308436391 491104178 /nfs/dbraw/zinc/10/41/78/491104178.db2.gz WUIOOPJKSUDTDI-UHFFFAOYSA-N 1 1 196.319 2.293 10 0 AEAEMO COC(C)(C)CC[N@H+]1[C@@H](C)C[C@H]1C 308438975 491104191 /nfs/dbraw/zinc/10/41/91/491104191.db2.gz XZODOHRXNSKCFQ-AOOOYVTPSA-N 1 1 185.311 2.284 10 0 AEAEMO COC[C@@H](C)C[N@H+]1CCCC[C@H]1C 308436724 491104214 /nfs/dbraw/zinc/10/42/14/491104214.db2.gz WYWWOAIHWFVPIK-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO COC[C@H](C)C[N@H+]1CCCC[C@H]1C 308436721 491104237 /nfs/dbraw/zinc/10/42/37/491104237.db2.gz WYWWOAIHWFVPIK-GHMZBOCLSA-N 1 1 185.311 2.143 10 0 AEAEMO COC[C@H](C)C[N@H+]1CCCC[C@@H]1C 308436722 491104254 /nfs/dbraw/zinc/10/42/54/491104254.db2.gz WYWWOAIHWFVPIK-MNOVXSKESA-N 1 1 185.311 2.143 10 0 AEAEMO COCC[N@@H+](C)[C@H]1CCC(C)(C)C1 308448587 491104830 /nfs/dbraw/zinc/10/48/30/491104830.db2.gz CIPAZYPNLBCGHP-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO COCC[N@@H+](C)[C@@H]1CCC(C)(C)C1 308448590 491104836 /nfs/dbraw/zinc/10/48/36/491104836.db2.gz CIPAZYPNLBCGHP-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[N@@H+](CCOC)CC1(C)CCC1 308446575 491104891 /nfs/dbraw/zinc/10/48/91/491104891.db2.gz BKUBTROLMDPBCF-UHFFFAOYSA-N 1 1 185.311 2.145 10 0 AEAEMO CCCCC[N@@H+](C(C)C)C1COC1 308446549 491104908 /nfs/dbraw/zinc/10/49/08/491104908.db2.gz BIWLGGFFYGFTJW-UHFFFAOYSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[N@@H+](CCOC)[C@H]1CC[C@@H](C)C1 308461631 491105753 /nfs/dbraw/zinc/10/57/53/491105753.db2.gz HRSGYVODLHUMQD-MNOVXSKESA-N 1 1 185.311 2.143 10 0 AEAEMO CC[N@@H+](CCOC)[C@@H]1CC[C@@H](C)C1 308461630 491105791 /nfs/dbraw/zinc/10/57/91/491105791.db2.gz HRSGYVODLHUMQD-GHMZBOCLSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[N@@H+](CCOC)[C@@H]1CC[C@H](C)C1 308461633 491105811 /nfs/dbraw/zinc/10/58/11/491105811.db2.gz HRSGYVODLHUMQD-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[N@@H+](CCOC)[C@H]1CC[C@H](C)C1 308461632 491105870 /nfs/dbraw/zinc/10/58/70/491105870.db2.gz HRSGYVODLHUMQD-QWRGUYRKSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[N@H+](CC1CC1)C[C@@H](C)COC 308470736 491106009 /nfs/dbraw/zinc/10/60/09/491106009.db2.gz KJEANIFZQPSHTI-SNVBAGLBSA-N 1 1 185.311 2.001 10 0 AEAEMO CC[N@H+](CC1CC1)C[C@H](C)COC 308470730 491106055 /nfs/dbraw/zinc/10/60/55/491106055.db2.gz KJEANIFZQPSHTI-JTQLQIEISA-N 1 1 185.311 2.001 10 0 AEAEMO C[N@@H+](CC[C@@H]1CCCCO1)C1CC1 308481907 491106466 /nfs/dbraw/zinc/10/64/66/491106466.db2.gz NOTKGPCWFWLTHO-NSHDSACASA-N 1 1 183.295 2.040 10 0 AEAEMO C[N@@H+](CC[C@H]1CCCCO1)C1CC1 308481906 491106478 /nfs/dbraw/zinc/10/64/78/491106478.db2.gz NOTKGPCWFWLTHO-LLVKDONJSA-N 1 1 183.295 2.040 10 0 AEAEMO CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@H](C)OC 308497169 491107707 /nfs/dbraw/zinc/10/77/07/491107707.db2.gz UNESYPWHUTUGFI-OUAUKWLOSA-N 1 1 185.311 2.284 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@H+]1C[C@@H](C)OC 308497168 491107757 /nfs/dbraw/zinc/10/77/57/491107757.db2.gz UNESYPWHUTUGFI-HBNTYKKESA-N 1 1 185.311 2.284 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@H+]1C[C@H](C)OC 308497165 491107772 /nfs/dbraw/zinc/10/77/72/491107772.db2.gz UNESYPWHUTUGFI-GARJFASQSA-N 1 1 185.311 2.284 10 0 AEAEMO CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@@H](C)OC 308497167 491107785 /nfs/dbraw/zinc/10/77/85/491107785.db2.gz UNESYPWHUTUGFI-GMTAPVOTSA-N 1 1 185.311 2.284 10 0 AEAEMO C[N@H+](Cc1cocn1)CC(C)(C)C 308501532 491108340 /nfs/dbraw/zinc/10/83/40/491108340.db2.gz XEPIBDVIJGOFJL-UHFFFAOYSA-N 1 1 182.267 2.153 10 0 AEAEMO C[N@@H+](Cc1cocn1)CC(C)(C)C 308501532 491108341 /nfs/dbraw/zinc/10/83/41/491108341.db2.gz XEPIBDVIJGOFJL-UHFFFAOYSA-N 1 1 182.267 2.153 10 0 AEAEMO CCCC[N@@H+](C)[C@H](CO)CC(C)C 308501500 491108513 /nfs/dbraw/zinc/10/85/13/491108513.db2.gz XBLKSPZJRLKCIS-NSHDSACASA-N 1 1 187.327 2.125 10 0 AEAEMO CCCC[N@@H+](C)[C@@H](CO)CC(C)C 308501499 491108523 /nfs/dbraw/zinc/10/85/23/491108523.db2.gz XBLKSPZJRLKCIS-LLVKDONJSA-N 1 1 187.327 2.125 10 0 AEAEMO CC[N@H+]1CCCC[C@H](CCOC)C1 308505668 491108933 /nfs/dbraw/zinc/10/89/33/491108933.db2.gz ZCEOWQRLKYTYEF-LLVKDONJSA-N 1 1 185.311 2.145 10 0 AEAEMO CC[N@H+]1CCCC[C@@H](CCOC)C1 308505669 491108970 /nfs/dbraw/zinc/10/89/70/491108970.db2.gz ZCEOWQRLKYTYEF-NSHDSACASA-N 1 1 185.311 2.145 10 0 AEAEMO CCC(C)(CC)[NH2+]Cc1n[nH]cc1C 308553374 491111544 /nfs/dbraw/zinc/11/15/44/491111544.db2.gz YJHXRRRWCLAJNF-UHFFFAOYSA-N 1 1 195.310 2.386 10 0 AEAEMO COCCc1cc[nH+]c(NC(C)C)c1 308567703 491112163 /nfs/dbraw/zinc/11/21/63/491112163.db2.gz BDVLEJRPMWOZGM-UHFFFAOYSA-N 1 1 194.278 2.091 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCC[C@@H]1CCO 308574427 491112254 /nfs/dbraw/zinc/11/22/54/491112254.db2.gz GLZDMCHJQBSXHM-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCC[C@H]1CCO 308574407 491112279 /nfs/dbraw/zinc/11/22/79/491112279.db2.gz GLZDMCHJQBSXHM-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCC[C@@H]1CCO 308574415 491112306 /nfs/dbraw/zinc/11/23/06/491112306.db2.gz GLZDMCHJQBSXHM-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCC[C@H]1CCO 308574422 491112310 /nfs/dbraw/zinc/11/23/10/491112310.db2.gz GLZDMCHJQBSXHM-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO C[N@@H+](CCCCCO)CC1(C)CCC1 308613405 491114418 /nfs/dbraw/zinc/11/44/18/491114418.db2.gz ORCGBYQVOZBNHW-UHFFFAOYSA-N 1 1 199.338 2.271 10 0 AEAEMO CC(C)[C@H](C)[NH2+]C1(C(F)F)CC1 388402104 491119460 /nfs/dbraw/zinc/11/94/60/491119460.db2.gz OWZRGMSGDSBMBT-ZETCQYMHSA-N 1 1 177.238 2.418 10 0 AEAEMO CC1(C[N@@H+](CCCO)C2CC2)CCC1 404317863 491119769 /nfs/dbraw/zinc/11/97/69/491119769.db2.gz WYEMGTCJPILMBC-UHFFFAOYSA-N 1 1 197.322 2.023 10 0 AEAEMO CCC[C@H](C)C[N@@H+](CCCO)C1CC1 404315845 491119776 /nfs/dbraw/zinc/11/97/76/491119776.db2.gz VCJYWJFKWZEEQR-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](CCCO)C1CC1 404315844 491119783 /nfs/dbraw/zinc/11/97/83/491119783.db2.gz VCJYWJFKWZEEQR-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)[C@@H](C)[NH2+]C1(C(F)F)CC1 388402102 491119466 /nfs/dbraw/zinc/11/94/66/491119466.db2.gz OWZRGMSGDSBMBT-SSDOTTSWSA-N 1 1 177.238 2.418 10 0 AEAEMO C[NH2+]C1CCN(CCC=C(C)C)CC1 397614555 491119728 /nfs/dbraw/zinc/11/97/28/491119728.db2.gz DKHJELURBWOINO-UHFFFAOYSA-N 1 1 196.338 2.027 10 0 AEAEMO C[C@@H]1CC[N@H+]1Cc1ccccc1 5104136 1188765300 /nfs/dbraw/zinc/76/53/00/1188765300.db2.gz ASHXUACJFCZHLR-SNVBAGLBSA-N 1 1 161.248 2.281 10 0 AEAEMO C[C@@H]1CCC[C@@H](C)[NH+]1C1CCNCC1 19481619 1188766863 /nfs/dbraw/zinc/76/68/63/1188766863.db2.gz MTFPTBCGCXHFSB-GHMZBOCLSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@H]1CCC[C@H](C)[NH+]1C1CCNCC1 19481623 1188766885 /nfs/dbraw/zinc/76/68/85/1188766885.db2.gz MTFPTBCGCXHFSB-QWRGUYRKSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@H]1CCC[C@@H](C)[N@@H+]1C1CCNCC1 19481621 1188766958 /nfs/dbraw/zinc/76/69/58/1188766958.db2.gz MTFPTBCGCXHFSB-PHIMTYICSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@H]1CCC[C@@H](C)[N@H+]1C1CCNCC1 19481621 1188766963 /nfs/dbraw/zinc/76/69/63/1188766963.db2.gz MTFPTBCGCXHFSB-PHIMTYICSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@H](C)C[C@@H](CC)[N@H+]1CC[C@H](N)C1 50227959 1188768290 /nfs/dbraw/zinc/76/82/90/1188768290.db2.gz WZGOCWUFJPJGGL-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)C[C@H](CC)[N@H+]1CC[C@H](N)C1 50227962 1188768299 /nfs/dbraw/zinc/76/82/99/1188768299.db2.gz WZGOCWUFJPJGGL-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)C[C@@H](CC)[N@H+]1CC[C@H](N)C1 50227960 1188768349 /nfs/dbraw/zinc/76/83/49/1188768349.db2.gz WZGOCWUFJPJGGL-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@H+](CCNCC)[C@@H](C)CC 58852319 1188768913 /nfs/dbraw/zinc/76/89/13/1188768913.db2.gz GETWUUPROMAXJH-NSHDSACASA-N 1 1 186.343 2.106 10 0 AEAEMO CCC[N@@H+](CCNCC)[C@@H](C)CC 58852319 1188768917 /nfs/dbraw/zinc/76/89/17/1188768917.db2.gz GETWUUPROMAXJH-NSHDSACASA-N 1 1 186.343 2.106 10 0 AEAEMO CCC[N@H+](CCNCC)[C@H](C)CC 58852322 1188769484 /nfs/dbraw/zinc/76/94/84/1188769484.db2.gz GETWUUPROMAXJH-LLVKDONJSA-N 1 1 186.343 2.106 10 0 AEAEMO CCC[N@@H+](CCNCC)[C@H](C)CC 58852322 1188769485 /nfs/dbraw/zinc/76/94/85/1188769485.db2.gz GETWUUPROMAXJH-LLVKDONJSA-N 1 1 186.343 2.106 10 0 AEAEMO CCC[NH+](CCC)[C@@H]1CCCCNC1 54134888 1188769672 /nfs/dbraw/zinc/76/96/72/1188769672.db2.gz GLEQMURCBDSEBT-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO Cc1[nH]c2cc3c(cc2[nH+]1)CCC3 59019974 1188770513 /nfs/dbraw/zinc/77/05/13/1188770513.db2.gz PIEKBNUTOAYLCQ-UHFFFAOYSA-N 1 1 172.231 2.360 10 0 AEAEMO CCCCCc1nnc([C@@H]([NH3+])CC)o1 61497661 1188771000 /nfs/dbraw/zinc/77/10/00/1188771000.db2.gz BFNZXVCQTPMHMM-QMMMGPOBSA-N 1 1 197.282 2.212 10 0 AEAEMO CC[C@H]([NH3+])c1nnc(C2CCCC2)o1 61496821 1188771086 /nfs/dbraw/zinc/77/10/86/1188771086.db2.gz CHOUXZJDFYIERA-QMMMGPOBSA-N 1 1 195.266 2.137 10 0 AEAEMO CC[C@@H]([NH3+])c1nnc(CC(C)(C)C)o1 61497754 1188771108 /nfs/dbraw/zinc/77/11/08/1188771108.db2.gz QLNHEPNWPPZTAG-SSDOTTSWSA-N 1 1 197.282 2.068 10 0 AEAEMO CC[C@H]([NH3+])c1nnc(CC(C)(C)C)o1 61497750 1188771195 /nfs/dbraw/zinc/77/11/95/1188771195.db2.gz QLNHEPNWPPZTAG-ZETCQYMHSA-N 1 1 197.282 2.068 10 0 AEAEMO CC[C@@H]([NH3+])c1nnc(C2CCCC2)o1 61496822 1188771363 /nfs/dbraw/zinc/77/13/63/1188771363.db2.gz CHOUXZJDFYIERA-MRVPVSSYSA-N 1 1 195.266 2.137 10 0 AEAEMO CCCCC[N@@H+](C)CC 59230889 1188771531 /nfs/dbraw/zinc/77/15/31/1188771531.db2.gz WJSIFDOFSKLUHL-UHFFFAOYSA-N 1 1 129.247 2.128 10 0 AEAEMO CC[C@@H]([NH3+])c1nnc(CCC(C)C)o1 61497252 1188771778 /nfs/dbraw/zinc/77/17/78/1188771778.db2.gz QXLLYPWNROKMJM-MRVPVSSYSA-N 1 1 197.282 2.068 10 0 AEAEMO CCCCCc1nnc([C@H]([NH3+])CC)o1 61497656 1188771888 /nfs/dbraw/zinc/77/18/88/1188771888.db2.gz BFNZXVCQTPMHMM-MRVPVSSYSA-N 1 1 197.282 2.212 10 0 AEAEMO C[N@H+](CC1CCC1)C[C@H](O)C(C)(C)C 61482218 1188772060 /nfs/dbraw/zinc/77/20/60/1188772060.db2.gz ADOOFJJMUPUTKN-NSHDSACASA-N 1 1 199.338 2.125 10 0 AEAEMO C[N@H+](CC1CCC1)C[C@@H](O)C(C)(C)C 61482215 1188772110 /nfs/dbraw/zinc/77/21/10/1188772110.db2.gz ADOOFJJMUPUTKN-LLVKDONJSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H]([NH3+])c1nnc(CCC(C)C)o1 61497250 1188772405 /nfs/dbraw/zinc/77/24/05/1188772405.db2.gz QXLLYPWNROKMJM-QMMMGPOBSA-N 1 1 197.282 2.068 10 0 AEAEMO CCCC[N@H+](CC)[C@H]1CC[C@H](C)NC1 62948487 1188773384 /nfs/dbraw/zinc/77/33/84/1188773384.db2.gz DHUZJAULZCFIGW-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@@H+](CC)[C@H]1CC[C@H](C)NC1 62948487 1188773400 /nfs/dbraw/zinc/77/34/00/1188773400.db2.gz DHUZJAULZCFIGW-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@H+](CC)[C@@H]1CC[C@H](C)NC1 62948486 1188773476 /nfs/dbraw/zinc/77/34/76/1188773476.db2.gz DHUZJAULZCFIGW-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[N@@H+](CC)[C@@H]1CC[C@H](C)NC1 62948486 1188773478 /nfs/dbraw/zinc/77/34/78/1188773478.db2.gz DHUZJAULZCFIGW-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(CC)[N@H+](C)[C@@H]1CC[C@H](C)NC1 62948692 1188773614 /nfs/dbraw/zinc/77/36/14/1188773614.db2.gz XQVNJFQUKFTLMV-CMPLNLGQSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@@H]1CC[C@H](C)NC1 62948692 1188773616 /nfs/dbraw/zinc/77/36/16/1188773616.db2.gz XQVNJFQUKFTLMV-CMPLNLGQSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(CC)[N@H+](C)[C@H]1CC[C@H](C)NC1 62948693 1188773641 /nfs/dbraw/zinc/77/36/41/1188773641.db2.gz XQVNJFQUKFTLMV-JQWIXIFHSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(CC)[N@@H+](C)[C@H]1CC[C@H](C)NC1 62948693 1188773644 /nfs/dbraw/zinc/77/36/44/1188773644.db2.gz XQVNJFQUKFTLMV-JQWIXIFHSA-N 1 1 198.354 2.247 10 0 AEAEMO Cc1cc(N)[nH+]cc1-c1ccc(N)cc1 82730100 1188776933 /nfs/dbraw/zinc/77/69/33/1188776933.db2.gz FZLBVKJSYYGGFE-UHFFFAOYSA-N 1 1 199.257 2.221 10 0 AEAEMO Cc1cc(N)[nH+]cc1-c1cccc(N)c1 82730099 1188776941 /nfs/dbraw/zinc/77/69/41/1188776941.db2.gz ADTIYVYZTVQMCG-UHFFFAOYSA-N 1 1 199.257 2.221 10 0 AEAEMO Cc1[nH+]c(N)ccc1-c1ccc(N)cc1 82730161 1188776971 /nfs/dbraw/zinc/77/69/71/1188776971.db2.gz QMQSPLHOXXRLIP-UHFFFAOYSA-N 1 1 199.257 2.221 10 0 AEAEMO Cc1cc(-c2ccc(N)cc2)c[nH+]c1N 82730049 1188777076 /nfs/dbraw/zinc/77/70/76/1188777076.db2.gz VIQSUSGEUCQUGV-UHFFFAOYSA-N 1 1 199.257 2.221 10 0 AEAEMO Fc1ccc(Cc2[nH]cc[nH+]2)c(F)c1 82733968 1188777176 /nfs/dbraw/zinc/77/71/76/1188777176.db2.gz DXXLBPJFBJZAAX-UHFFFAOYSA-N 1 1 194.184 2.279 10 0 AEAEMO CCCNc1[nH+]cnc2[nH]c(C)cc12 169815267 1188782209 /nfs/dbraw/zinc/78/22/09/1188782209.db2.gz XIELHJHFNZAFAT-UHFFFAOYSA-N 1 1 190.250 2.088 10 0 AEAEMO CC(C)[NH+](Cc1c[nH]cn1)C(C)C 197757553 1188783613 /nfs/dbraw/zinc/78/36/13/1188783613.db2.gz HVILPEQHJSUBPI-UHFFFAOYSA-N 1 1 181.283 2.029 10 0 AEAEMO CC(C)(C)C[N@H+]1CCC[C@@H]1C(C)(C)O 203190354 1188785099 /nfs/dbraw/zinc/78/50/99/1188785099.db2.gz PISODUGJUJZWMX-SNVBAGLBSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)(C)C[N@H+]1CCC[C@H]1C(C)(C)O 203190364 1188785120 /nfs/dbraw/zinc/78/51/20/1188785120.db2.gz PISODUGJUJZWMX-JTQLQIEISA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[N@@H+]([C@H](C)CC)[C@@H]1CCCNC1 223379781 1188787366 /nfs/dbraw/zinc/78/73/66/1188787366.db2.gz FBZFLLAEEFLSFG-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCN([C@H](C)CC)[C@@H]1CCC[NH2+]C1 223379781 1188787369 /nfs/dbraw/zinc/78/73/69/1188787369.db2.gz FBZFLLAEEFLSFG-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCC[C@@H](C)N1CCC[C@@H]([NH3+])C1 227091128 1188787760 /nfs/dbraw/zinc/78/77/60/1188787760.db2.gz GJECVHCMYNSINP-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@@H](C)[N@@H+]1CCC[C@@H](N)C1 227091128 1188787765 /nfs/dbraw/zinc/78/77/65/1188787765.db2.gz GJECVHCMYNSINP-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@@H](C)[N@H+]1CCC[C@@H](N)C1 227091128 1188787770 /nfs/dbraw/zinc/78/77/70/1188787770.db2.gz GJECVHCMYNSINP-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@H](C)N1CCC[C@@H]([NH3+])C1 227091131 1188787991 /nfs/dbraw/zinc/78/79/91/1188787991.db2.gz GJECVHCMYNSINP-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@H](C)[N@@H+]1CCC[C@@H](N)C1 227091131 1188787996 /nfs/dbraw/zinc/78/79/96/1188787996.db2.gz GJECVHCMYNSINP-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@H](C)[N@H+]1CCC[C@@H](N)C1 227091131 1188788000 /nfs/dbraw/zinc/78/80/00/1188788000.db2.gz GJECVHCMYNSINP-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO C[C@H](O)C[N@H+]1CCC[C@@H]2CCCC[C@H]21 227018723 1188788157 /nfs/dbraw/zinc/78/81/57/1188788157.db2.gz BOBRHCBSFMXXSJ-SDDRHHMPSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCCCC[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 227675278 1188788437 /nfs/dbraw/zinc/78/84/37/1188788437.db2.gz QJSWEGHQZWHQTM-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCCCN1C[C@H](C)C[C@@H]([NH3+])C1 227675278 1188788439 /nfs/dbraw/zinc/78/84/39/1188788439.db2.gz QJSWEGHQZWHQTM-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCCC[N@@H+]1C[C@H](C)C[C@@H](N)C1 227675278 1188788442 /nfs/dbraw/zinc/78/84/42/1188788442.db2.gz QJSWEGHQZWHQTM-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCCC[N@H+]1C[C@H](C)C[C@@H](N)C1 227675278 1188788444 /nfs/dbraw/zinc/78/84/44/1188788444.db2.gz QJSWEGHQZWHQTM-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC(CC)C[N@H+]1C[C@H](C)C[C@@H](N)C1 227676059 1188788518 /nfs/dbraw/zinc/78/85/18/1188788518.db2.gz CUEPTXLKLXNZHP-ZYHUDNBSSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(CC)CN1C[C@H](C)C[C@@H]([NH3+])C1 227676059 1188788521 /nfs/dbraw/zinc/78/85/21/1188788521.db2.gz CUEPTXLKLXNZHP-ZYHUDNBSSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H](C)C[N@H+]1C[C@@H](C)C[C@@H](N)C1 227675445 1188788816 /nfs/dbraw/zinc/78/88/16/1188788816.db2.gz XTTIQUITUNRQLX-SDDRHHMPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H](C)CN1C[C@@H](C)C[C@@H]([NH3+])C1 227675445 1188788818 /nfs/dbraw/zinc/78/88/18/1188788818.db2.gz XTTIQUITUNRQLX-SDDRHHMPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(CC)C[N@H+]1C[C@@H](C)C[C@@H](N)C1 227676053 1188788917 /nfs/dbraw/zinc/78/89/17/1188788917.db2.gz CUEPTXLKLXNZHP-CMPLNLGQSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(CC)CN1C[C@@H](C)C[C@@H]([NH3+])C1 227676053 1188788918 /nfs/dbraw/zinc/78/89/18/1188788918.db2.gz CUEPTXLKLXNZHP-CMPLNLGQSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCCCC[N@H+]1C[C@@H](C)C[C@@H]([NH3+])C1 227675272 1188789211 /nfs/dbraw/zinc/78/92/11/1188789211.db2.gz QJSWEGHQZWHQTM-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCCCN1C[C@@H](C)C[C@@H]([NH3+])C1 227675272 1188789214 /nfs/dbraw/zinc/78/92/14/1188789214.db2.gz QJSWEGHQZWHQTM-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCCC[N@@H+]1C[C@@H](C)C[C@@H](N)C1 227675272 1188789218 /nfs/dbraw/zinc/78/92/18/1188789218.db2.gz QJSWEGHQZWHQTM-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCCC[N@H+]1C[C@@H](C)C[C@@H](N)C1 227675272 1188789222 /nfs/dbraw/zinc/78/92/22/1188789222.db2.gz QJSWEGHQZWHQTM-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[C@@H](CC)[N@@H+]1CC[C@@H]([NH2+]C)C1 227665859 1188789234 /nfs/dbraw/zinc/78/92/34/1188789234.db2.gz BCOUEVSGLUZVJH-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@@H](CC)[N@H+]1CC[C@@H]([NH2+]C)C1 227665859 1188789236 /nfs/dbraw/zinc/78/92/36/1188789236.db2.gz BCOUEVSGLUZVJH-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@H](CC)[N@@H+]1CC[C@@H]([NH2+]C)C1 227665862 1188789297 /nfs/dbraw/zinc/78/92/97/1188789297.db2.gz BCOUEVSGLUZVJH-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC[C@H](CC)[N@H+]1CC[C@@H]([NH2+]C)C1 227665862 1188789300 /nfs/dbraw/zinc/78/93/00/1188789300.db2.gz BCOUEVSGLUZVJH-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO Nc1ccc(NCCC2CCC2)c[nH+]1 229073488 1188790852 /nfs/dbraw/zinc/79/08/52/1188790852.db2.gz WQYRVRCEUPLNFL-UHFFFAOYSA-N 1 1 191.278 2.266 10 0 AEAEMO CC(C)CC[C@@H](C)[N@H+]1CCC[C@H]1CN 252687966 1188795478 /nfs/dbraw/zinc/79/54/78/1188795478.db2.gz MSVDNQBSRZAJDK-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CC[C@H](C)[N@H+]1CCC[C@H]1CN 252687967 1188795549 /nfs/dbraw/zinc/79/55/49/1188795549.db2.gz MSVDNQBSRZAJDK-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO C[N@@H+]1CC=C(CC(F)(F)F)CC1 258249175 1188795994 /nfs/dbraw/zinc/79/59/94/1188795994.db2.gz XSEZCOYTMYGZON-UHFFFAOYSA-N 1 1 179.185 2.201 10 0 AEAEMO c1ncc(C[N@H+]2CCC[C@H]3C[C@H]32)s1 306270283 1188797367 /nfs/dbraw/zinc/79/73/67/1188797367.db2.gz UBJUKARETMDXGQ-WCBMZHEXSA-N 1 1 194.303 2.127 10 0 AEAEMO c1ncc(C[N@H+]2CCC[C@@H]3C[C@@H]32)s1 306270282 1188797420 /nfs/dbraw/zinc/79/74/20/1188797420.db2.gz UBJUKARETMDXGQ-SCZZXKLOSA-N 1 1 194.303 2.127 10 0 AEAEMO C[C@@H]1CC[C@H]([N@@H+](C)CCF)C1 306293588 1188797613 /nfs/dbraw/zinc/79/76/13/1188797613.db2.gz UYRZSCQEAVCHPX-BDAKNGLRSA-N 1 1 159.248 2.076 10 0 AEAEMO C[C@H]1CC[C@H]([N@@H+](C)CCF)C1 306293590 1188797668 /nfs/dbraw/zinc/79/76/68/1188797668.db2.gz UYRZSCQEAVCHPX-IUCAKERBSA-N 1 1 159.248 2.076 10 0 AEAEMO C[C@H]1CC[C@@H]([N@@H+](C)CCF)C1 306293589 1188797694 /nfs/dbraw/zinc/79/76/94/1188797694.db2.gz UYRZSCQEAVCHPX-DTWKUNHWSA-N 1 1 159.248 2.076 10 0 AEAEMO Cc1ccnc(C[N@H+](C)C(C)C)c1 306293246 1188797702 /nfs/dbraw/zinc/79/77/02/1188797702.db2.gz WPWGBCFWZGEENN-UHFFFAOYSA-N 1 1 178.279 2.230 10 0 AEAEMO C[C@@H]1CC[C@@H]([N@@H+](C)CCF)C1 306293592 1188797767 /nfs/dbraw/zinc/79/77/67/1188797767.db2.gz UYRZSCQEAVCHPX-RKDXNWHRSA-N 1 1 159.248 2.076 10 0 AEAEMO C[C@@H](C1CC1)[N@H+]1CCS[C@H](C)C1 306450399 1188798403 /nfs/dbraw/zinc/79/84/03/1188798403.db2.gz PDYCUFCEYGTUIJ-BDAKNGLRSA-N 1 1 185.336 2.222 10 0 AEAEMO CC1(C)CC[C@H]([NH+]2CC(F)C2)C1 306505167 1188798905 /nfs/dbraw/zinc/79/89/05/1188798905.db2.gz SFPBZUUJRRPTBB-VIFPVBQESA-N 1 1 171.259 2.219 10 0 AEAEMO c1csc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)n1 306502948 1188799010 /nfs/dbraw/zinc/79/90/10/1188799010.db2.gz PDILYLSTOCQPBV-BDAKNGLRSA-N 1 1 194.303 2.127 10 0 AEAEMO c1csc(C[N@H+]2CCC[C@@H]3C[C@@H]32)n1 306502948 1188799013 /nfs/dbraw/zinc/79/90/13/1188799013.db2.gz PDILYLSTOCQPBV-BDAKNGLRSA-N 1 1 194.303 2.127 10 0 AEAEMO CC1(C)CC[C@@H]([NH+]2CC(F)C2)C1 306505166 1188799071 /nfs/dbraw/zinc/79/90/71/1188799071.db2.gz SFPBZUUJRRPTBB-SECBINFHSA-N 1 1 171.259 2.219 10 0 AEAEMO c1csc(C[N@@H+]2CCC[C@H]3C[C@H]32)n1 306502949 1188799104 /nfs/dbraw/zinc/79/91/04/1188799104.db2.gz PDILYLSTOCQPBV-DTWKUNHWSA-N 1 1 194.303 2.127 10 0 AEAEMO c1csc(C[N@H+]2CCC[C@H]3C[C@H]32)n1 306502949 1188799108 /nfs/dbraw/zinc/79/91/08/1188799108.db2.gz PDILYLSTOCQPBV-DTWKUNHWSA-N 1 1 194.303 2.127 10 0 AEAEMO C[NH+](C)Cc1sccc1Cl 306725674 1188800511 /nfs/dbraw/zinc/80/05/11/1188800511.db2.gz XYDKGJSVIKWJBB-UHFFFAOYSA-N 1 1 175.684 2.463 10 0 AEAEMO CC(C)C[N@@H+](C)C1CCSCC1 306779569 1188801568 /nfs/dbraw/zinc/80/15/68/1188801568.db2.gz XMQPLIDKCFQDAU-UHFFFAOYSA-N 1 1 187.352 2.470 10 0 AEAEMO C[C@H]1CC[N@H+](C2CCSCC2)C1 306989175 1188803632 /nfs/dbraw/zinc/80/36/32/1188803632.db2.gz RSUFJMRGHUPZEP-VIFPVBQESA-N 1 1 185.336 2.224 10 0 AEAEMO C1CCC([N@H+]2CCC[C@@H]3C[C@@H]32)C1 306999240 1188803863 /nfs/dbraw/zinc/80/38/63/1188803863.db2.gz ZNXCRBXGZASVJM-KOLCDFICSA-N 1 1 165.280 2.413 10 0 AEAEMO C[C@@H]1CC[N@H+](C2CCSCC2)C1 306989173 1188803921 /nfs/dbraw/zinc/80/39/21/1188803921.db2.gz RSUFJMRGHUPZEP-SECBINFHSA-N 1 1 185.336 2.224 10 0 AEAEMO C[C@H]1CC[N@H+]([C@H]2CCCSC2)C1 307155041 1188806008 /nfs/dbraw/zinc/80/60/08/1188806008.db2.gz VIIVYZSLYYKQMG-UWVGGRQHSA-N 1 1 185.336 2.224 10 0 AEAEMO C[C@@H]1CC[N@H+]([C@H]2CCCSC2)C1 307155043 1188806023 /nfs/dbraw/zinc/80/60/23/1188806023.db2.gz VIIVYZSLYYKQMG-ZJUUUORDSA-N 1 1 185.336 2.224 10 0 AEAEMO C[C@H]1CC[N@H+]([C@@H]2CCCSC2)C1 307155042 1188806037 /nfs/dbraw/zinc/80/60/37/1188806037.db2.gz VIIVYZSLYYKQMG-VHSXEESVSA-N 1 1 185.336 2.224 10 0 AEAEMO C[C@@H]1CC[N@H+]([C@@H]2CCCSC2)C1 307155040 1188806169 /nfs/dbraw/zinc/80/61/69/1188806169.db2.gz VIIVYZSLYYKQMG-NXEZZACHSA-N 1 1 185.336 2.224 10 0 AEAEMO CCC[C@H](C)[N@H+]1C[C@@H](C)OC[C@H]1C 307285901 1188806684 /nfs/dbraw/zinc/80/66/84/1188806684.db2.gz PRPUVYVDYITAHR-HBNTYKKESA-N 1 1 185.311 2.284 10 0 AEAEMO CCC[C@H](C)[N@H+]1C[C@@H](C)OC[C@@H]1C 307285900 1188806793 /nfs/dbraw/zinc/80/67/93/1188806793.db2.gz PRPUVYVDYITAHR-GARJFASQSA-N 1 1 185.311 2.284 10 0 AEAEMO CC[N@@H+](C)[C@@H](C)CC(F)(F)F 307671472 1188807939 /nfs/dbraw/zinc/80/79/39/1188807939.db2.gz TYYSABZABHVCRV-LURJTMIESA-N 1 1 169.190 2.279 10 0 AEAEMO CCOCC[N@H+]1CC[C@H](CC)[C@@H]1C 308305604 1188811417 /nfs/dbraw/zinc/81/14/17/1188811417.db2.gz NQUCZZAPNIKPQR-QWRGUYRKSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[N@@H+](C)[C@H](C)CC(F)(F)F 307671473 1188807965 /nfs/dbraw/zinc/80/79/65/1188807965.db2.gz TYYSABZABHVCRV-ZCFIWIBFSA-N 1 1 169.190 2.279 10 0 AEAEMO CC[C@H](C)[N@@H+](C)Cc1cc[nH]c1 308047915 1188810399 /nfs/dbraw/zinc/81/03/99/1188810399.db2.gz QJMYZBCWZLRNSK-VIFPVBQESA-N 1 1 166.268 2.245 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)Cc1cc[nH]c1 308047911 1188810571 /nfs/dbraw/zinc/81/05/71/1188810571.db2.gz QJMYZBCWZLRNSK-SECBINFHSA-N 1 1 166.268 2.245 10 0 AEAEMO CCCC[C@H](CC)[N@@H+](C)C[C@H](C)N 308162546 1188810931 /nfs/dbraw/zinc/81/09/31/1188810931.db2.gz XOUDWNSIDLVNIH-QWRGUYRKSA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[C@H](CC)N(C)C[C@H](C)[NH3+] 308162546 1188810936 /nfs/dbraw/zinc/81/09/36/1188810936.db2.gz XOUDWNSIDLVNIH-QWRGUYRKSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC1(C[N@@H+](C)CC(C)C)COC1 308316250 1188811071 /nfs/dbraw/zinc/81/10/71/1188811071.db2.gz VPJGULKEKGRKNZ-UHFFFAOYSA-N 1 1 185.311 2.001 10 0 AEAEMO CCOCC[N@H+]1CC[C@H](CC)[C@H]1C 308305602 1188811103 /nfs/dbraw/zinc/81/11/03/1188811103.db2.gz NQUCZZAPNIKPQR-MNOVXSKESA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@@H](C)[C@@H](C)[N@@H+](C)CCCOC 308320459 1188811392 /nfs/dbraw/zinc/81/13/92/1188811392.db2.gz YGQVAGPYNVKITF-GHMZBOCLSA-N 1 1 187.327 2.389 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@@H+](C)CCCOC 308320461 1188811458 /nfs/dbraw/zinc/81/14/58/1188811458.db2.gz YGQVAGPYNVKITF-QWRGUYRKSA-N 1 1 187.327 2.389 10 0 AEAEMO C[N@@H+](CCCCF)CC1CCC1 379338439 1188816482 /nfs/dbraw/zinc/81/64/82/1188816482.db2.gz KHMNWEHJNFEPGB-UHFFFAOYSA-N 1 1 173.275 2.468 10 0 AEAEMO CCC(CC)[N@@H+](C)C1CCOCC1 379377722 1188817391 /nfs/dbraw/zinc/81/73/91/1188817391.db2.gz YQPCMDNCZHGMEU-UHFFFAOYSA-N 1 1 185.311 2.286 10 0 AEAEMO CCCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1N 396764976 1188822961 /nfs/dbraw/zinc/82/29/61/1188822961.db2.gz VYSNKFZAHDDJHO-TUAOUCFPSA-N 1 1 198.354 2.425 10 0 AEAEMO C[C@H]1CCC[C@@H](C)[N@H+]1CC(C)(C)O 606257978 1188824416 /nfs/dbraw/zinc/82/44/16/1188824416.db2.gz LZHFZYWXIKMMBM-AOOOYVTPSA-N 1 1 185.311 2.020 10 0 AEAEMO CC(=O)CC[N@@H+](CC1CCC1)C(C)C 769928666 1188825721 /nfs/dbraw/zinc/82/57/21/1188825721.db2.gz UODKOFIJTPGKLZ-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO Cc1nc(C)c(C[N@@H+]2C[C@H](C)[C@H]2C)o1 815162887 1188826419 /nfs/dbraw/zinc/82/64/19/1188826419.db2.gz KTRFIRHTHKZAIS-IONNQARKSA-N 1 1 194.278 2.132 10 0 AEAEMO Cc1nc(C)c(C[N@@H+]2C[C@@H](C)[C@H]2C)o1 815162889 1188826481 /nfs/dbraw/zinc/82/64/81/1188826481.db2.gz KTRFIRHTHKZAIS-VXNVDRBHSA-N 1 1 194.278 2.132 10 0 AEAEMO Cc1nc(C)c(C[N@@H+]2C[C@@H](C)[C@@H]2C)o1 815162883 1188826625 /nfs/dbraw/zinc/82/66/25/1188826625.db2.gz KTRFIRHTHKZAIS-APPZFPTMSA-N 1 1 194.278 2.132 10 0 AEAEMO Cc1nc(C)c(C[N@@H+]2C[C@H](C)[C@@H]2C)o1 815162885 1188826644 /nfs/dbraw/zinc/82/66/44/1188826644.db2.gz KTRFIRHTHKZAIS-CBAPKCEASA-N 1 1 194.278 2.132 10 0 AEAEMO C[C@H](CC1CC1)[N@@H+](C)CCF 1258473501 1188833712 /nfs/dbraw/zinc/83/37/12/1188833712.db2.gz VEEBUDHXVOAOHN-MRVPVSSYSA-N 1 1 159.248 2.076 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1C[C@@H](C)OC[C@H]1C 1258473274 1188833733 /nfs/dbraw/zinc/83/37/33/1188833733.db2.gz NKFSWBNINHAHJL-HBNTYKKESA-N 1 1 197.322 2.284 10 0 AEAEMO C[C@@H]1C[N@H+]([C@H](C)CC2CC2)[C@H](C)CO1 1258473269 1188833747 /nfs/dbraw/zinc/83/37/47/1188833747.db2.gz NKFSWBNINHAHJL-GMTAPVOTSA-N 1 1 197.322 2.284 10 0 AEAEMO CC[N@@H+](CC(C)(C)O)[C@H](C)CC1CC1 1258471408 1188834035 /nfs/dbraw/zinc/83/40/35/1188834035.db2.gz CMCIXXGPIHVFDM-SNVBAGLBSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(=O)[C@@H]1CCC[N@@H+]1[C@@H](C)CC1CC1 1258473158 1188834052 /nfs/dbraw/zinc/83/40/52/1188834052.db2.gz SACNDJWJMWEPSS-CABZTGNLSA-N 1 1 195.306 2.228 10 0 AEAEMO C[C@@H](CC1CC1)[N@@H+](C)CCF 1258473502 1188834140 /nfs/dbraw/zinc/83/41/40/1188834140.db2.gz VEEBUDHXVOAOHN-QMMMGPOBSA-N 1 1 159.248 2.076 10 0 AEAEMO CC(=O)[C@@H]1CCC[N@@H+]1[C@H](C)CC1CC1 1258473159 1188834171 /nfs/dbraw/zinc/83/41/71/1188834171.db2.gz SACNDJWJMWEPSS-SKDRFNHKSA-N 1 1 195.306 2.228 10 0 AEAEMO C[C@@H]1CCC[N@H+]1CC12COC(C)(C1)C2 1459553480 1188842195 /nfs/dbraw/zinc/84/21/95/1188842195.db2.gz WZZUTFQTLXZKMW-VOMCLLRMSA-N 1 1 195.306 2.040 10 0 AEAEMO CC(C)[N@@H+](CC1=NOCC1)C1CCC1 1459671151 1188842429 /nfs/dbraw/zinc/84/24/29/1188842429.db2.gz KZKKZZNJRHPYPS-UHFFFAOYSA-N 1 1 196.294 2.026 10 0 AEAEMO CC(C)C[N@@H+](CC1=NOCC1)C(C)C 1459308384 1188842498 /nfs/dbraw/zinc/84/24/98/1188842498.db2.gz XFPIJQRJWKQWPO-UHFFFAOYSA-N 1 1 198.310 2.129 10 0 AEAEMO C[C@H]1CCC[N@H+]1CC12COC(C)(C1)C2 1459553479 1188843050 /nfs/dbraw/zinc/84/30/50/1188843050.db2.gz WZZUTFQTLXZKMW-UNXYVOJBSA-N 1 1 195.306 2.040 10 0 AEAEMO C[C@@H]1CCC[N@H+]1CCc1ccns1 29131525 697618907 /nfs/dbraw/zinc/61/89/07/697618907.db2.gz BJLCRKGWWZSRIS-SECBINFHSA-N 1 1 196.319 2.170 10 0 AEAEMO C[C@H]1CCC[N@H+]1CCc1ccns1 29131529 697618970 /nfs/dbraw/zinc/61/89/70/697618970.db2.gz BJLCRKGWWZSRIS-VIFPVBQESA-N 1 1 196.319 2.170 10 0 AEAEMO CC[C@H](C)c1noc(C[NH2+]C(C)C)n1 57340856 697622705 /nfs/dbraw/zinc/62/27/05/697622705.db2.gz PQOMQWYTSHYWTA-QMMMGPOBSA-N 1 1 197.282 2.081 10 0 AEAEMO C#CC[C@@H]1CCC[N@H+](C(C)C)C1 146844488 697653086 /nfs/dbraw/zinc/65/30/86/697653086.db2.gz MZDXQZSMNVOBFU-LLVKDONJSA-N 1 1 165.280 2.130 10 0 AEAEMO C[C@H]1C[N@@H+](CCCC2CC2)CCC1=O 157027695 697656847 /nfs/dbraw/zinc/65/68/47/697656847.db2.gz LMNKXOUUGLBEOA-JTQLQIEISA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@@H]1C[N@@H+](CCCC2CC2)CCC1=O 157027540 697656905 /nfs/dbraw/zinc/65/69/05/697656905.db2.gz LMNKXOUUGLBEOA-SNVBAGLBSA-N 1 1 195.306 2.088 10 0 AEAEMO CC(=O)CC[N@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C 166782095 697674303 /nfs/dbraw/zinc/67/43/03/697674303.db2.gz HUQUPSWSPWNEIV-FOGDFJRCSA-N 1 1 197.322 2.332 10 0 AEAEMO CC[N@@H+](CCC(C)=O)CC(C)(C)C 199906712 697681201 /nfs/dbraw/zinc/68/12/01/697681201.db2.gz KEZDWFQRPCYCEP-UHFFFAOYSA-N 1 1 185.311 2.334 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CCC[C@@H](C(C)=O)C1 224872516 697689282 /nfs/dbraw/zinc/68/92/82/697689282.db2.gz AWQHFOOCPBWNLP-ZYHUDNBSSA-N 1 1 197.322 2.334 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCC[C@@H](C(C)=O)C1 224872555 697689534 /nfs/dbraw/zinc/68/95/34/697689534.db2.gz AWQHFOOCPBWNLP-CMPLNLGQSA-N 1 1 197.322 2.334 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1C[C@@H](O)C1CC1 225545253 697690742 /nfs/dbraw/zinc/69/07/42/697690742.db2.gz SBDCMUCUHMGUMV-NWDGAFQWSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1C[C@@H](O)C1CC1 225545220 697690833 /nfs/dbraw/zinc/69/08/33/697690833.db2.gz SBDCMUCUHMGUMV-VXGBXAGGSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]([N@@H+](C)C[C@@H](O)C1CC1)C(C)(C)C 225546509 697691053 /nfs/dbraw/zinc/69/10/53/697691053.db2.gz NPZHDAHKVKZVCQ-GXSJLCMTSA-N 1 1 199.338 2.124 10 0 AEAEMO C[C@@H]([N@@H+](C)C[C@@H](O)C1CC1)C(C)(C)C 225546476 697691155 /nfs/dbraw/zinc/69/11/55/697691155.db2.gz NPZHDAHKVKZVCQ-MWLCHTKSSA-N 1 1 199.338 2.124 10 0 AEAEMO CC1(C)CCC[N@H+]1CCCCCCO 226837872 697694640 /nfs/dbraw/zinc/69/46/40/697694640.db2.gz BTRBADWNYAPGBI-UHFFFAOYSA-N 1 1 199.338 2.414 10 0 AEAEMO C[C@H]([NH2+]CCc1ccccc1)C(F)F 228480561 697699073 /nfs/dbraw/zinc/69/90/73/697699073.db2.gz CXOUYPUKWZUYKH-VIFPVBQESA-N 1 1 199.244 2.472 10 0 AEAEMO C[C@@H]([NH2+]CCc1ccccc1)C(F)F 228480554 697699110 /nfs/dbraw/zinc/69/91/10/697699110.db2.gz CXOUYPUKWZUYKH-SECBINFHSA-N 1 1 199.244 2.472 10 0 AEAEMO CC(=O)CC[N@H+]1C[C@H](C)C[C@@H](C)[C@H]1C 229456101 697701146 /nfs/dbraw/zinc/70/11/46/697701146.db2.gz HUQUPSWSPWNEIV-CKYFFXLPSA-N 1 1 197.322 2.332 10 0 AEAEMO CC[C@@H](C)[NH2+][C@H]1CCCc2[nH]ncc21 306997270 697736121 /nfs/dbraw/zinc/73/61/21/697736121.db2.gz VQDADDMRDBLIJQ-SCZZXKLOSA-N 1 1 193.294 2.175 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1C/C=C/Cl 307321584 697742108 /nfs/dbraw/zinc/74/21/08/697742108.db2.gz WWGBBROMYJJZHW-ZGNIKFQOSA-N 1 1 159.660 2.079 10 0 AEAEMO C[C@@H]1C[N@@H+](C/C=C/Cl)[C@@H]1C 307321581 697742145 /nfs/dbraw/zinc/74/21/45/697742145.db2.gz WWGBBROMYJJZHW-ATXJSMISSA-N 1 1 159.660 2.079 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1C[C@H]1CCC=CO1 307525463 697746231 /nfs/dbraw/zinc/74/62/31/697746231.db2.gz JCZNLHAWGGJIAS-OUAUKWLOSA-N 1 1 181.279 2.162 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1C[C@@H]1CCC=CO1 307525407 697746390 /nfs/dbraw/zinc/74/63/90/697746390.db2.gz JCZNLHAWGGJIAS-AXFHLTTASA-N 1 1 181.279 2.162 10 0 AEAEMO CC[N@@H+](CC1(F)CC1)C(C)C 307683729 697749783 /nfs/dbraw/zinc/74/97/83/697749783.db2.gz HTSCAQCRPBEOSJ-UHFFFAOYSA-N 1 1 159.248 2.219 10 0 AEAEMO CC[N@@H+](Cc1ccoc1)C1CC1 308038354 697755496 /nfs/dbraw/zinc/75/54/96/697755496.db2.gz LTQWKEZEUOMURR-UHFFFAOYSA-N 1 1 165.236 2.264 10 0 AEAEMO FCC[N@@H+](CC1CC1)C1CCC1 308071249 697755929 /nfs/dbraw/zinc/75/59/29/697755929.db2.gz BTFJXBDKCNEYSO-UHFFFAOYSA-N 1 1 171.259 2.220 10 0 AEAEMO CC[C@H](C)[N@@H+](C)CCC(=O)C1CC1 308136552 697757493 /nfs/dbraw/zinc/75/74/93/697757493.db2.gz ADECMGYXBNGGGD-VIFPVBQESA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)CCC(=O)C1CC1 308136551 697757518 /nfs/dbraw/zinc/75/75/18/697757518.db2.gz ADECMGYXBNGGGD-SECBINFHSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC(=O)CC[N@H+]1[C@@H](C)CC[C@H]1C 308172469 697759206 /nfs/dbraw/zinc/75/92/06/697759206.db2.gz CWGQZHDKXUBABG-AOOOYVTPSA-N 1 1 183.295 2.228 10 0 AEAEMO CCC[N@@H+](CCC(C)=O)CC(C)C 308145577 697758526 /nfs/dbraw/zinc/75/85/26/697758526.db2.gz NWPYVAMCAIQJGG-UHFFFAOYSA-N 1 1 185.311 2.334 10 0 AEAEMO CCCCCC[N@H+]1CCOC[C@H]1C 308286698 697764864 /nfs/dbraw/zinc/76/48/64/697764864.db2.gz CDRNKTCEQFJCQI-LLVKDONJSA-N 1 1 185.311 2.287 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](CC)[C@H](C)CO 308423631 697771000 /nfs/dbraw/zinc/77/10/00/697771000.db2.gz VCGHEDFILJRQER-GHMZBOCLSA-N 1 1 187.327 2.125 10 0 AEAEMO CC(C)[C@@H](C)[N@H+]1CCC[C@H](CCO)C1 319517413 697776735 /nfs/dbraw/zinc/77/67/35/697776735.db2.gz KZBJMKWZRFBFBU-VXGBXAGGSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)[C@H](C)[N@@H+]1CCC[C@H]1C[C@H](C)O 319532321 697776752 /nfs/dbraw/zinc/77/67/52/697776752.db2.gz MLKOBOWNUMPTOR-SRVKXCTJSA-N 1 1 199.338 2.266 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+]1CCC[C@@H]1C[C@H](C)O 319531419 697776764 /nfs/dbraw/zinc/77/67/64/697776764.db2.gz MLKOBOWNUMPTOR-QJPTWQEYSA-N 1 1 199.338 2.266 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CCC[C@@H](CCO)C1 319517410 697776913 /nfs/dbraw/zinc/77/69/13/697776913.db2.gz KZBJMKWZRFBFBU-RYUDHWBXSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+]1CCC[C@H]1C[C@H](C)O 319532324 697776966 /nfs/dbraw/zinc/77/69/66/697776966.db2.gz MLKOBOWNUMPTOR-TUAOUCFPSA-N 1 1 199.338 2.266 10 0 AEAEMO CC(C)[C@H](C)[N@@H+]1CCC[C@@H]1C[C@H](C)O 319532319 697777019 /nfs/dbraw/zinc/77/70/19/697777019.db2.gz MLKOBOWNUMPTOR-SDDRHHMPSA-N 1 1 199.338 2.266 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CCC[C@H](CCO)C1 319517408 697777133 /nfs/dbraw/zinc/77/71/33/697777133.db2.gz KZBJMKWZRFBFBU-NWDGAFQWSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)[C@@H](C)[N@H+]1CCC[C@@H](CCO)C1 319517405 697777187 /nfs/dbraw/zinc/77/71/87/697777187.db2.gz KZBJMKWZRFBFBU-NEPJUHHUSA-N 1 1 199.338 2.125 10 0 AEAEMO CC1=CC[N@@H+]([C@@H]2CCO[C@H](C)C2)CC1 335493818 697781123 /nfs/dbraw/zinc/78/11/23/697781123.db2.gz HNUIVGMDUVJSHZ-VXGBXAGGSA-N 1 1 195.306 2.206 10 0 AEAEMO CC1(C[N@H+]2CC[C@H](C(N)=O)C2)CCC1 336551198 697782271 /nfs/dbraw/zinc/78/22/71/697782271.db2.gz NJGSORDJWATZJB-VIFPVBQESA-N 1 1 196.294 2.034 10 0 AEAEMO CC1(C[N@H+]2CC[C@@H](C(N)=O)C2)CCC1 336551197 697782281 /nfs/dbraw/zinc/78/22/81/697782281.db2.gz NJGSORDJWATZJB-SECBINFHSA-N 1 1 196.294 2.034 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1C/C=C\Cl 378874537 697794566 /nfs/dbraw/zinc/79/45/66/697794566.db2.gz WWGBBROMYJJZHW-WLFSLNMXSA-N 1 1 159.660 2.079 10 0 AEAEMO C[C@@H]1C[N@@H+](C/C=C\Cl)[C@@H]1C 378874536 697794650 /nfs/dbraw/zinc/79/46/50/697794650.db2.gz WWGBBROMYJJZHW-PYWFFMSPSA-N 1 1 159.660 2.079 10 0 AEAEMO CC[C@@H]1CC[N@H+]1C/C=C\Cl 378972587 697796174 /nfs/dbraw/zinc/79/61/74/697796174.db2.gz GTAHDRZLDSHRSV-QIUOEGRZSA-N 1 1 159.660 2.223 10 0 AEAEMO CC[C@H]1CC[N@H+]1C/C=C\Cl 378972586 697796374 /nfs/dbraw/zinc/79/63/74/697796374.db2.gz GTAHDRZLDSHRSV-NHLYECAPSA-N 1 1 159.660 2.223 10 0 AEAEMO CCC(CC)[N@@H+](CC)CCF 379145943 697798425 /nfs/dbraw/zinc/79/84/25/697798425.db2.gz AFPOJEZZHFMEOF-UHFFFAOYSA-N 1 1 161.264 2.466 10 0 AEAEMO Cl/C=C\C[N@H+]1CCCSCC1 379240739 697801089 /nfs/dbraw/zinc/80/10/89/697801089.db2.gz WPUMIMGQVJLRBD-IWQZZHSRSA-N 1 1 191.727 2.178 10 0 AEAEMO CC(C)CO[NH+]=C(N)CC(C)C 379321796 697815580 /nfs/dbraw/zinc/81/55/80/697815580.db2.gz FLTIGUQLNYLVQW-UHFFFAOYSA-N 1 1 172.272 2.187 10 0 AEAEMO FCCCCC[N@H+]1CC[C@H]2C[C@H]21 379326177 697818725 /nfs/dbraw/zinc/81/87/25/697818725.db2.gz GQLUEXAKHQXWBO-VHSXEESVSA-N 1 1 171.259 2.220 10 0 AEAEMO FCCCCC[N@H+]1CC[C@@H]2C[C@@H]21 379326178 697819321 /nfs/dbraw/zinc/81/93/21/697819321.db2.gz GQLUEXAKHQXWBO-ZJUUUORDSA-N 1 1 171.259 2.220 10 0 AEAEMO FC(F)[C@H]1CC[N@@H+](C/C=C\Cl)C1 379326552 697819627 /nfs/dbraw/zinc/81/96/27/697819627.db2.gz INQYLUHPHQNHIO-YYHMEYGGSA-N 1 1 195.640 2.326 10 0 AEAEMO FC(F)[C@@H]1CC[N@@H+](C/C=C\Cl)C1 379326551 697819640 /nfs/dbraw/zinc/81/96/40/697819640.db2.gz INQYLUHPHQNHIO-BYXPXVBTSA-N 1 1 195.640 2.326 10 0 AEAEMO N#C[C@@H]1CCC[C@@H]1[NH2+]C/C=C\Cl 379337366 697830555 /nfs/dbraw/zinc/83/05/55/697830555.db2.gz WVPIDGVSVWNLDN-MGQLQWOVSA-N 1 1 184.670 2.021 10 0 AEAEMO N#C[C@@H]1CCC[C@H]1[NH2+]C/C=C\Cl 379337367 697830600 /nfs/dbraw/zinc/83/06/00/697830600.db2.gz WVPIDGVSVWNLDN-UESWHYPVSA-N 1 1 184.670 2.021 10 0 AEAEMO CCCC(N)=[NH+]OCC=C(C)C 379338123 697831650 /nfs/dbraw/zinc/83/16/50/697831650.db2.gz DAWQDZMEOVKYSB-UHFFFAOYSA-N 1 1 170.256 2.251 10 0 AEAEMO CCCC[C@H](C)[N@@H+](C)CCC(C)=O 379341864 697832558 /nfs/dbraw/zinc/83/25/58/697832558.db2.gz AHONDOSKKKDQJW-JTQLQIEISA-N 1 1 185.311 2.476 10 0 AEAEMO CCCC[C@@H](C)[N@@H+](C)CCC(C)=O 379341865 697832928 /nfs/dbraw/zinc/83/29/28/697832928.db2.gz AHONDOSKKKDQJW-SNVBAGLBSA-N 1 1 185.311 2.476 10 0 AEAEMO Cc1ccccc1C[N@@H+](C)CCF 379359929 697841385 /nfs/dbraw/zinc/84/13/85/697841385.db2.gz BFFANBOJPXYTKN-UHFFFAOYSA-N 1 1 181.254 2.396 10 0 AEAEMO CCC(=O)CC[N@H+]1CC[C@@H](C)[C@H]1C 379362533 697843055 /nfs/dbraw/zinc/84/30/55/697843055.db2.gz DVFKHTIGQVPINH-NXEZZACHSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC(=O)CC[N@H+]1CC[C@H](C)[C@H]1C 379362540 697843071 /nfs/dbraw/zinc/84/30/71/697843071.db2.gz DVFKHTIGQVPINH-VHSXEESVSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC(=O)CC[N@H+]1CC[C@H](C)[C@@H]1C 379362537 697843084 /nfs/dbraw/zinc/84/30/84/697843084.db2.gz DVFKHTIGQVPINH-UWVGGRQHSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC(=O)CC[N@H+]1CC[C@@H](C)[C@@H]1C 379362544 697843192 /nfs/dbraw/zinc/84/31/92/697843192.db2.gz DVFKHTIGQVPINH-ZJUUUORDSA-N 1 1 183.295 2.086 10 0 AEAEMO C[N@H+](CCF)Cc1ccc(F)cc1 379367848 697846631 /nfs/dbraw/zinc/84/66/31/697846631.db2.gz WBWVPWDJFYKYNT-UHFFFAOYSA-N 1 1 185.217 2.227 10 0 AEAEMO C[N@@H+](CCF)Cc1ccc(F)cc1 379367848 697846637 /nfs/dbraw/zinc/84/66/37/697846637.db2.gz WBWVPWDJFYKYNT-UHFFFAOYSA-N 1 1 185.217 2.227 10 0 AEAEMO CC(=O)CC[N@H+](C(C)C)C1CCC1 379407496 697882622 /nfs/dbraw/zinc/88/26/22/697882622.db2.gz YUEIWBYBSJXWGQ-UHFFFAOYSA-N 1 1 183.295 2.228 10 0 AEAEMO CC[C@@H]1[C@H](C)CC[N@H+]1CCC(C)=O 379409445 697884703 /nfs/dbraw/zinc/88/47/03/697884703.db2.gz CYGJTCPSAFMUPP-MWLCHTKSSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@H]1[C@H](C)CC[N@H+]1CCC(C)=O 379409444 697884778 /nfs/dbraw/zinc/88/47/78/697884778.db2.gz CYGJTCPSAFMUPP-KOLCDFICSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCC(C)=O 379409443 697884790 /nfs/dbraw/zinc/88/47/90/697884790.db2.gz CYGJTCPSAFMUPP-GXSJLCMTSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@H]1[C@@H](C)CC[N@H+]1CCC(C)=O 379409446 697884849 /nfs/dbraw/zinc/88/48/49/697884849.db2.gz CYGJTCPSAFMUPP-ONGXEEELSA-N 1 1 183.295 2.086 10 0 AEAEMO CCCCCC[N@H+]1CC[C@@H](OC)C1 379409455 697885083 /nfs/dbraw/zinc/88/50/83/697885083.db2.gz CYQTYPPKIPUDTD-LLVKDONJSA-N 1 1 185.311 2.287 10 0 AEAEMO CCC(=O)CC[N@@H+](C)CCC(C)C 379409792 697885154 /nfs/dbraw/zinc/88/51/54/697885154.db2.gz DPFZXIPSBOEHMF-UHFFFAOYSA-N 1 1 185.311 2.334 10 0 AEAEMO CC[C@]1(C)CC[N@@H+](CCC(C)=O)C1 379414301 697889889 /nfs/dbraw/zinc/88/98/89/697889889.db2.gz NVMWTLOJHYXWJT-LLVKDONJSA-N 1 1 183.295 2.088 10 0 AEAEMO CC[C@@]1(C)CC[N@@H+](CCC(C)=O)C1 379414302 697890127 /nfs/dbraw/zinc/89/01/27/697890127.db2.gz NVMWTLOJHYXWJT-NSHDSACASA-N 1 1 183.295 2.088 10 0 AEAEMO CCC[N@@H+](CCO)CC1(C)CCCC1 379520311 697897874 /nfs/dbraw/zinc/89/78/74/697897874.db2.gz CHPDTXOXDXNZSI-UHFFFAOYSA-N 1 1 199.338 2.271 10 0 AEAEMO C[N@@H+](CC(C)(C)O)CC1(C)CCCC1 379541950 697899035 /nfs/dbraw/zinc/89/90/35/697899035.db2.gz QQQSKCUBOPLXLF-UHFFFAOYSA-N 1 1 199.338 2.269 10 0 AEAEMO CC1(C[N@@H+](CCO)C2CC2)CCCC1 379542485 697899053 /nfs/dbraw/zinc/89/90/53/697899053.db2.gz RFOZWGXITKSQPP-UHFFFAOYSA-N 1 1 197.322 2.023 10 0 AEAEMO CC[N@@H+](C[C@@H](O)C1CC1)CC(C)(C)C 379546992 697899179 /nfs/dbraw/zinc/89/91/79/697899179.db2.gz XPLJHKQCRGEYES-LLVKDONJSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[N@@H+](C[C@H](O)C1CC1)CC(C)(C)C 379546993 697899223 /nfs/dbraw/zinc/89/92/23/697899223.db2.gz XPLJHKQCRGEYES-NSHDSACASA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)CCC[N@H+]1CC[C@H](O)C1(C)C 379620534 697905901 /nfs/dbraw/zinc/90/59/01/697905901.db2.gz DSPSJKZRPIKRAW-NSHDSACASA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)CCC[N@H+]1CC[C@@H](O)C1(C)C 379620533 697905962 /nfs/dbraw/zinc/90/59/62/697905962.db2.gz DSPSJKZRPIKRAW-LLVKDONJSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@@H+](C[C@@H]1CCC[C@@H](O)C1)C(C)C 379656367 697908219 /nfs/dbraw/zinc/90/82/19/697908219.db2.gz LCXQKUCOMMXMCX-VXGBXAGGSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@@H+](C[C@@H]1CCC[C@H](O)C1)C(C)C 379656364 697908429 /nfs/dbraw/zinc/90/84/29/697908429.db2.gz LCXQKUCOMMXMCX-NEPJUHHUSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@@H+](C[C@H]1CCC[C@H](O)C1)C(C)C 379656366 697908549 /nfs/dbraw/zinc/90/85/49/697908549.db2.gz LCXQKUCOMMXMCX-RYUDHWBXSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@@H+](C[C@H]1CCC[C@@H](O)C1)C(C)C 379656365 697908553 /nfs/dbraw/zinc/90/85/53/697908553.db2.gz LCXQKUCOMMXMCX-NWDGAFQWSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCCCC[N@H+]1CCC[C@@H](O)[C@H]1C 384881872 697931900 /nfs/dbraw/zinc/93/19/00/697931900.db2.gz IQFGXIKMLGPZCB-VXGBXAGGSA-N 1 1 199.338 2.412 10 0 AEAEMO C[N@@H+](CCCCO)CC1(C)CCCC1 385010492 697932774 /nfs/dbraw/zinc/93/27/74/697932774.db2.gz HITGBWGDVVEGOO-UHFFFAOYSA-N 1 1 199.338 2.271 10 0 AEAEMO CCCCCC[N@H+]1C[C@@H](N)C(C)(C)C1 388058725 697940156 /nfs/dbraw/zinc/94/01/56/697940156.db2.gz LQOIRIYSMAEMPL-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCCCN1C[C@@H]([NH3+])C(C)(C)C1 388058725 697940159 /nfs/dbraw/zinc/94/01/59/697940159.db2.gz LQOIRIYSMAEMPL-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCCC[N@H+]1C[C@H](N)C(C)(C)C1 388058727 697940449 /nfs/dbraw/zinc/94/04/49/697940449.db2.gz LQOIRIYSMAEMPL-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCCCN1C[C@H]([NH3+])C(C)(C)C1 388058727 697940454 /nfs/dbraw/zinc/94/04/54/697940454.db2.gz LQOIRIYSMAEMPL-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CC[N@@H+](CCCCF)C(C)C 388068058 697940698 /nfs/dbraw/zinc/94/06/98/697940698.db2.gz BLKJMRSLHMKZMF-UHFFFAOYSA-N 1 1 161.264 2.466 10 0 AEAEMO CCC(CC)C[N@H+]1C[C@H](N)C(C)(C)C1 388092598 697941271 /nfs/dbraw/zinc/94/12/71/697941271.db2.gz QOOLEUCFLKJNBJ-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(CC)C[N@H+]1C[C@@H](N)C(C)(C)C1 388092597 697941560 /nfs/dbraw/zinc/94/15/60/697941560.db2.gz QOOLEUCFLKJNBJ-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)CCC[N@H+]1C[C@@H](N)C(C)(C)C1 388116349 697941797 /nfs/dbraw/zinc/94/17/97/697941797.db2.gz VZNOYDMXHYHHPP-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)CCCN1C[C@@H]([NH3+])C(C)(C)C1 388116349 697941801 /nfs/dbraw/zinc/94/18/01/697941801.db2.gz VZNOYDMXHYHHPP-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)CCC[N@H+]1C[C@H](N)C(C)(C)C1 388116350 697941953 /nfs/dbraw/zinc/94/19/53/697941953.db2.gz VZNOYDMXHYHHPP-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)CCCN1C[C@H]([NH3+])C(C)(C)C1 388116350 697941956 /nfs/dbraw/zinc/94/19/56/697941956.db2.gz VZNOYDMXHYHHPP-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H](C)C[N@H+]1C[C@H](N)C(C)(C)C1 388123288 697942394 /nfs/dbraw/zinc/94/23/94/697942394.db2.gz XKWLJMQVVFBJIA-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H](C)CN1C[C@H]([NH3+])C(C)(C)C1 388123288 697942396 /nfs/dbraw/zinc/94/23/96/697942396.db2.gz XKWLJMQVVFBJIA-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1C[C@H](N)C(C)(C)C1 388123286 697942440 /nfs/dbraw/zinc/94/24/40/697942440.db2.gz XKWLJMQVVFBJIA-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@@H](C)CN1C[C@H]([NH3+])C(C)(C)C1 388123286 697942445 /nfs/dbraw/zinc/94/24/45/697942445.db2.gz XKWLJMQVVFBJIA-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1C[C@@H](N)C(C)(C)C1 388123285 697942586 /nfs/dbraw/zinc/94/25/86/697942586.db2.gz XKWLJMQVVFBJIA-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@@H](C)CN1C[C@@H]([NH3+])C(C)(C)C1 388123285 697942589 /nfs/dbraw/zinc/94/25/89/697942589.db2.gz XKWLJMQVVFBJIA-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H](C)C[N@H+]1C[C@@H](N)C(C)(C)C1 388123289 697942820 /nfs/dbraw/zinc/94/28/20/697942820.db2.gz XKWLJMQVVFBJIA-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H](C)CN1C[C@@H]([NH3+])C(C)(C)C1 388123289 697942823 /nfs/dbraw/zinc/94/28/23/697942823.db2.gz XKWLJMQVVFBJIA-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO FCC[N@H+]1CC[C@H](CC(F)(F)F)C1 388258465 697947693 /nfs/dbraw/zinc/94/76/93/697947693.db2.gz CELMTGWPGWMYDE-SSDOTTSWSA-N 1 1 199.191 2.230 10 0 AEAEMO FCC[N@H+]1CC[C@@H](CC(F)(F)F)C1 388258466 697947916 /nfs/dbraw/zinc/94/79/16/697947916.db2.gz CELMTGWPGWMYDE-ZETCQYMHSA-N 1 1 199.191 2.230 10 0 AEAEMO CCC[N@@H+](C)C[C@H]1CCC=CO1 388377818 697955703 /nfs/dbraw/zinc/95/57/03/697955703.db2.gz FHLDZVXXQCCHDS-SNVBAGLBSA-N 1 1 169.268 2.021 10 0 AEAEMO CCC[N@@H+](C)C[C@@H]1CCC=CO1 388377814 697955759 /nfs/dbraw/zinc/95/57/59/697955759.db2.gz FHLDZVXXQCCHDS-JTQLQIEISA-N 1 1 169.268 2.021 10 0 AEAEMO CC(C)CC[N@@H+](CCF)C1CC1 388395179 697959397 /nfs/dbraw/zinc/95/93/97/697959397.db2.gz HFZJHSARGRYHQR-UHFFFAOYSA-N 1 1 173.275 2.466 10 0 AEAEMO Cc1ccsc1C[N@H+](C)CCF 388517328 697972263 /nfs/dbraw/zinc/97/22/63/697972263.db2.gz VDHLMYVKWBOKAS-UHFFFAOYSA-N 1 1 187.283 2.458 10 0 AEAEMO Cc1ccsc1C[N@@H+](C)CCF 388517328 697972265 /nfs/dbraw/zinc/97/22/65/697972265.db2.gz VDHLMYVKWBOKAS-UHFFFAOYSA-N 1 1 187.283 2.458 10 0 AEAEMO C[N@@H+](CCF)C[C@H]1CC=CCC1 388520238 697972753 /nfs/dbraw/zinc/97/27/53/697972753.db2.gz WVLCCUPLNHWVQM-JTQLQIEISA-N 1 1 171.259 2.244 10 0 AEAEMO C[N@@H+](CCF)C[C@@H]1CC=CCC1 388520239 697972824 /nfs/dbraw/zinc/97/28/24/697972824.db2.gz WVLCCUPLNHWVQM-SNVBAGLBSA-N 1 1 171.259 2.244 10 0 AEAEMO CCC(=O)CC[N@H+]1CCCC[C@@H]1C 388617210 697979760 /nfs/dbraw/zinc/97/97/60/697979760.db2.gz DDCFIHBWSQATEY-JTQLQIEISA-N 1 1 183.295 2.230 10 0 AEAEMO CCC(=O)CC[N@H+]1CCCC[C@H]1C 388617211 697979813 /nfs/dbraw/zinc/97/98/13/697979813.db2.gz DDCFIHBWSQATEY-SNVBAGLBSA-N 1 1 183.295 2.230 10 0 AEAEMO COCC(C)(C)C[N@H+]1CCC1(C)C 388640423 697984207 /nfs/dbraw/zinc/98/42/07/697984207.db2.gz OGYHDIRPGPLIEE-UHFFFAOYSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CC[C@@H](OC)C1 388735150 697991339 /nfs/dbraw/zinc/99/13/39/697991339.db2.gz WJXIKFBTAOJNHY-GHMZBOCLSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@@H](OC)C1 388735157 697991419 /nfs/dbraw/zinc/99/14/19/697991419.db2.gz WJXIKFBTAOJNHY-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO CCCCCC[N@H+]1CCOC[C@@H]1C 388752682 697992459 /nfs/dbraw/zinc/99/24/59/697992459.db2.gz CDRNKTCEQFJCQI-NSHDSACASA-N 1 1 185.311 2.287 10 0 AEAEMO CCCC[NH2+][C@@H]1CCCc2[nH]ncc21 388830876 697998640 /nfs/dbraw/zinc/99/86/40/697998640.db2.gz PJGJYLPDFBROEK-SNVBAGLBSA-N 1 1 193.294 2.177 10 0 AEAEMO CCCC[NH2+][C@H]1CCCc2[nH]ncc21 388830875 697998882 /nfs/dbraw/zinc/99/88/82/697998882.db2.gz PJGJYLPDFBROEK-JTQLQIEISA-N 1 1 193.294 2.177 10 0 AEAEMO CC[N@@H+](CCC(=O)C(C)C)C(C)C 388869782 698001180 /nfs/dbraw/zinc/00/11/80/698001180.db2.gz GOXQYHFQLMFFLY-UHFFFAOYSA-N 1 1 185.311 2.332 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1CCCCCCO 388884603 698001874 /nfs/dbraw/zinc/00/18/74/698001874.db2.gz JQFHYTAXLNXQOH-PHIMTYICSA-N 1 1 185.311 2.022 10 0 AEAEMO C[C@@H](O)CC[N@@H+](C)CC1(C)CCCC1 389306221 698008422 /nfs/dbraw/zinc/00/84/22/698008422.db2.gz NTAKIAJHOUXSHQ-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CC1CCC(C[N@H+](C)C[C@@H](C)N)CC1 389264944 698006408 /nfs/dbraw/zinc/00/64/08/698006408.db2.gz HZVDWQKNFNNYOH-MOENNCHZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC1CCC(CN(C)C[C@@H](C)[NH3+])CC1 389264944 698006411 /nfs/dbraw/zinc/00/64/11/698006411.db2.gz HZVDWQKNFNNYOH-MOENNCHZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC1CCC(C[N@H+](C)C[C@H](C)N)CC1 389264938 698006723 /nfs/dbraw/zinc/00/67/23/698006723.db2.gz HZVDWQKNFNNYOH-CXQJBGSLSA-N 1 1 198.354 2.092 10 0 AEAEMO CC1CCC(CN(C)C[C@H](C)[NH3+])CC1 389264938 698006726 /nfs/dbraw/zinc/00/67/26/698006726.db2.gz HZVDWQKNFNNYOH-CXQJBGSLSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H](O)CC[N@@H+](C)CC1(C)CCCC1 389306222 698008445 /nfs/dbraw/zinc/00/84/45/698008445.db2.gz NTAKIAJHOUXSHQ-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[N@@H+](CC(C)C)C[C@@H](O)C1CC1 393683091 698021614 /nfs/dbraw/zinc/02/16/14/698021614.db2.gz NANMBHGGANMXCT-GFCCVEGCSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[N@@H+](CC(C)C)C[C@H](O)C1CC1 393683092 698021712 /nfs/dbraw/zinc/02/17/12/698021712.db2.gz NANMBHGGANMXCT-LBPRGKRZSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC(CC)C[N@H+]1CC[C@@H](O)C1(C)C 393690933 698022151 /nfs/dbraw/zinc/02/21/51/698022151.db2.gz SAVIKBZPMZHDDM-LLVKDONJSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC(CC)C[N@H+]1CC[C@H](O)C1(C)C 393690936 698022212 /nfs/dbraw/zinc/02/22/12/698022212.db2.gz SAVIKBZPMZHDDM-NSHDSACASA-N 1 1 199.338 2.268 10 0 AEAEMO CC(=O)CC[N@H+](C)[C@H](C)C1(C)CC1 393718525 698025565 /nfs/dbraw/zinc/02/55/65/698025565.db2.gz XAXGTBMNGAIZLI-SNVBAGLBSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(=O)CC[N@H+](C)[C@@H](C)C1(C)CC1 393718524 698025798 /nfs/dbraw/zinc/02/57/98/698025798.db2.gz XAXGTBMNGAIZLI-JTQLQIEISA-N 1 1 183.295 2.086 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+][C@H](C)CC(C)(C)C 395109805 698032892 /nfs/dbraw/zinc/03/28/92/698032892.db2.gz JAZSXGQFXCQKNV-UTLUCORTSA-N 1 1 186.343 2.136 10 0 AEAEMO C[C@H](N)[C@@H](C)[NH2+][C@H](C)CC(C)(C)C 395109802 698033167 /nfs/dbraw/zinc/03/31/67/698033167.db2.gz JAZSXGQFXCQKNV-KXUCPTDWSA-N 1 1 186.343 2.136 10 0 AEAEMO C[C@H](CC(C)(C)C)[NH2+][C@H](C)[C@@H](C)N 395109803 698033111 /nfs/dbraw/zinc/03/31/11/698033111.db2.gz JAZSXGQFXCQKNV-OPRDCNLKSA-N 1 1 186.343 2.136 10 0 AEAEMO C[C@H]([NH2+][C@H](C)CC(C)(C)C)[C@@H](C)N 395109800 698033206 /nfs/dbraw/zinc/03/32/06/698033206.db2.gz JAZSXGQFXCQKNV-BBBLOLIVSA-N 1 1 186.343 2.136 10 0 AEAEMO CC(=O)CC[N@H+](C)C1CC(C)(C)C1 395506832 698035166 /nfs/dbraw/zinc/03/51/66/698035166.db2.gz ZDKLEJJTYAULCB-UHFFFAOYSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)C[C@@H]1CCC[N@H+]1C[C@@H](C)CO 397052836 698038092 /nfs/dbraw/zinc/03/80/92/698038092.db2.gz KCEBMKRSYUXRTM-NEPJUHHUSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)C[C@@H]1CCC[N@H+]1C[C@H](C)CO 397052838 698038300 /nfs/dbraw/zinc/03/83/00/698038300.db2.gz KCEBMKRSYUXRTM-RYUDHWBXSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)C[C@H]1CCC[N@H+]1C[C@H](C)CO 397052837 698038353 /nfs/dbraw/zinc/03/83/53/698038353.db2.gz KCEBMKRSYUXRTM-NWDGAFQWSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(=O)CC[N@@H+]1CCC[C@H]1CC(C)C 396859298 698038418 /nfs/dbraw/zinc/03/84/18/698038418.db2.gz GPBWPJJEYDPYIA-LBPRGKRZSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(=O)CC[N@@H+]1CCC[C@@H]1CC(C)C 396859293 698038489 /nfs/dbraw/zinc/03/84/89/698038489.db2.gz GPBWPJJEYDPYIA-GFCCVEGCSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(C)C[C@H]1CCC[N@H+]1C[C@@H](C)CO 397052839 698038515 /nfs/dbraw/zinc/03/85/15/698038515.db2.gz KCEBMKRSYUXRTM-VXGBXAGGSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)([NH2+]Cc1c[nH]cn1)C1CCC1 398205243 698041737 /nfs/dbraw/zinc/04/17/37/698041737.db2.gz GZNHADFSTVLGTQ-UHFFFAOYSA-N 1 1 193.294 2.078 10 0 AEAEMO CCCCCC[N@H+]1C[C@@H](O)CC[C@@H]1C 399257046 698043234 /nfs/dbraw/zinc/04/32/34/698043234.db2.gz MOLWPKSUBBJDEQ-RYUDHWBXSA-N 1 1 199.338 2.412 10 0 AEAEMO CCCCCC[N@H+]1C[C@@H](O)CC[C@H]1C 399257042 698043273 /nfs/dbraw/zinc/04/32/73/698043273.db2.gz MOLWPKSUBBJDEQ-NEPJUHHUSA-N 1 1 199.338 2.412 10 0 AEAEMO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)C(F)F 706428906 698054695 /nfs/dbraw/zinc/05/46/95/698054695.db2.gz HCFQJGCZOIICPL-LYFYHCNISA-N 1 1 195.278 2.124 10 0 AEAEMO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)C(F)F 706428905 698054836 /nfs/dbraw/zinc/05/48/36/698054836.db2.gz HCFQJGCZOIICPL-FSDSQADBSA-N 1 1 195.278 2.124 10 0 AEAEMO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)C(F)F 706428904 698054902 /nfs/dbraw/zinc/05/49/02/698054902.db2.gz HCFQJGCZOIICPL-DSYKOEDSSA-N 1 1 195.278 2.124 10 0 AEAEMO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)C(F)F 706428907 698055029 /nfs/dbraw/zinc/05/50/29/698055029.db2.gz HCFQJGCZOIICPL-RRKCRQDMSA-N 1 1 195.278 2.124 10 0 AEAEMO C[C@H]1CC[N@H+]1C[C@H](O)CC1CCCC1 706762700 698055542 /nfs/dbraw/zinc/05/55/42/698055542.db2.gz OVSYJRVPYNSVFI-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H](C)[C@@H](C)N[C@H]1C[NH2+]CC1(C)C 720781752 698067143 /nfs/dbraw/zinc/06/71/43/698067143.db2.gz SFPRYIUSSDZMQH-AXFHLTTASA-N 1 1 198.354 2.009 10 0 AEAEMO CC(C)C[C@@H](C)N[C@H]1C[NH2+]CC1(C)C 720770367 698067174 /nfs/dbraw/zinc/06/71/74/698067174.db2.gz YBDUHXUPPPOBDZ-MNOVXSKESA-N 1 1 198.354 2.009 10 0 AEAEMO CC[C@H](C)[C@H](C)N[C@@H]1C[NH2+]CC1(C)C 720781757 698067198 /nfs/dbraw/zinc/06/71/98/698067198.db2.gz SFPRYIUSSDZMQH-GARJFASQSA-N 1 1 198.354 2.009 10 0 AEAEMO CC(C)C[C@H](C)N[C@@H]1C[NH2+]CC1(C)C 720770369 698067307 /nfs/dbraw/zinc/06/73/07/698067307.db2.gz YBDUHXUPPPOBDZ-WDEREUQCSA-N 1 1 198.354 2.009 10 0 AEAEMO CC[C@H](C)[C@H](C)N[C@H]1C[NH2+]CC1(C)C 720781754 698067328 /nfs/dbraw/zinc/06/73/28/698067328.db2.gz SFPRYIUSSDZMQH-DCAQKATOSA-N 1 1 198.354 2.009 10 0 AEAEMO CC(C)C[C@@H](C)N[C@@H]1C[NH2+]CC1(C)C 720770366 698067346 /nfs/dbraw/zinc/06/73/46/698067346.db2.gz YBDUHXUPPPOBDZ-GHMZBOCLSA-N 1 1 198.354 2.009 10 0 AEAEMO CNCC[N@H+](CC1CCCC1)C(C)C 720765246 698067512 /nfs/dbraw/zinc/06/75/12/698067512.db2.gz BBEITYVIUCLQJC-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CNCC[N@@H+](CC1CCCC1)C(C)C 720765246 698067517 /nfs/dbraw/zinc/06/75/17/698067517.db2.gz BBEITYVIUCLQJC-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)C[C@H](C)N[C@H]1C[NH2+]CC1(C)C 720770368 698067537 /nfs/dbraw/zinc/06/75/37/698067537.db2.gz YBDUHXUPPPOBDZ-QWRGUYRKSA-N 1 1 198.354 2.009 10 0 AEAEMO CC[C@H](C)[C@@H](C)N[C@@H]1C[NH2+]CC1(C)C 720781759 698067814 /nfs/dbraw/zinc/06/78/14/698067814.db2.gz SFPRYIUSSDZMQH-HBNTYKKESA-N 1 1 198.354 2.009 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CC[C@H](C(C)(C)O)C1 721883110 698069857 /nfs/dbraw/zinc/06/98/57/698069857.db2.gz QOPVADKNGDYFAN-QWRGUYRKSA-N 1 1 199.338 2.124 10 0 AEAEMO CC[C@H](C)C[N@H+]1CC[C@H](C(C)(C)O)C1 721840889 698069868 /nfs/dbraw/zinc/06/98/68/698069868.db2.gz XLOWCHACYNVPKE-QWRGUYRKSA-N 1 1 199.338 2.125 10 0 AEAEMO CCCCC[N@H+]1CC[C@H](C(C)(C)O)C1 721840963 698069897 /nfs/dbraw/zinc/06/98/97/698069897.db2.gz XTYDUIRYWVZUNQ-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@@H](C(C)(C)O)C1 721837974 698069906 /nfs/dbraw/zinc/06/99/06/698069906.db2.gz NXGNOEGBHDMOPK-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CC[C@@H](C(C)(C)O)C1 721883111 698069924 /nfs/dbraw/zinc/06/99/24/698069924.db2.gz QOPVADKNGDYFAN-WDEREUQCSA-N 1 1 199.338 2.124 10 0 AEAEMO CC(C)=CC[N@H+]1CC[C@H](C(C)(C)O)C1 721840458 698070010 /nfs/dbraw/zinc/07/00/10/698070010.db2.gz VIJMPGXWGSZOLC-NSHDSACASA-N 1 1 197.322 2.045 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CC[C@@H](C(C)(C)O)C1 721837969 698070017 /nfs/dbraw/zinc/07/00/17/698070017.db2.gz NXGNOEGBHDMOPK-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CC[C@@H](C(C)(C)O)C1 721840884 698070026 /nfs/dbraw/zinc/07/00/26/698070026.db2.gz XLOWCHACYNVPKE-GHMZBOCLSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)=CC[N@H+]1CC[C@@H](C(C)(C)O)C1 721840456 698070040 /nfs/dbraw/zinc/07/00/40/698070040.db2.gz VIJMPGXWGSZOLC-LLVKDONJSA-N 1 1 197.322 2.045 10 0 AEAEMO CC(C)[C@@H](C)[N@H+]1CC[C@@H](C(C)(C)O)C1 721883107 698070082 /nfs/dbraw/zinc/07/00/82/698070082.db2.gz QOPVADKNGDYFAN-GHMZBOCLSA-N 1 1 199.338 2.124 10 0 AEAEMO CCCCC[N@H+]1CC[C@@H](C(C)(C)O)C1 721840960 698070157 /nfs/dbraw/zinc/07/01/57/698070157.db2.gz XTYDUIRYWVZUNQ-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CC[C@H](C(C)(C)O)C1 721840886 698070168 /nfs/dbraw/zinc/07/01/68/698070168.db2.gz XLOWCHACYNVPKE-MNOVXSKESA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](C)C[N@H+]1CC[C@@H](C(C)(C)O)C1 721840891 698070300 /nfs/dbraw/zinc/07/03/00/698070300.db2.gz XLOWCHACYNVPKE-WDEREUQCSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@H](C(C)(C)O)C1 721837972 698070507 /nfs/dbraw/zinc/07/05/07/698070507.db2.gz NXGNOEGBHDMOPK-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[C@@H](C)[N@H+]1CC[C@H](C(C)(C)O)C1 721883108 698070530 /nfs/dbraw/zinc/07/05/30/698070530.db2.gz QOPVADKNGDYFAN-MNOVXSKESA-N 1 1 199.338 2.124 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CC[C@H](C(C)(C)O)C1 721837971 698070551 /nfs/dbraw/zinc/07/05/51/698070551.db2.gz NXGNOEGBHDMOPK-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO Cc1nc(C)c(C[N@@H+]2CCC[C@H]2C)[nH]1 724777655 698077260 /nfs/dbraw/zinc/07/72/60/698077260.db2.gz DMZIRRUJZPOEOC-MRVPVSSYSA-N 1 1 193.294 2.011 10 0 AEAEMO CCC[N@@H+](CC)Cc1[nH]c(C)nc1C 724777669 698077326 /nfs/dbraw/zinc/07/73/26/698077326.db2.gz FFAFCYWTVOMDER-UHFFFAOYSA-N 1 1 195.310 2.258 10 0 AEAEMO CCCC[N@@H+](C)Cc1[nH]c(C)nc1C 724780604 698077352 /nfs/dbraw/zinc/07/73/52/698077352.db2.gz DQXNYBMTHRHUCW-UHFFFAOYSA-N 1 1 195.310 2.258 10 0 AEAEMO Cc1nc(C)c(C[N@H+](C)CC(C)C)[nH]1 724778147 698077557 /nfs/dbraw/zinc/07/75/57/698077557.db2.gz UCKPSMSRDQCUAL-UHFFFAOYSA-N 1 1 195.310 2.114 10 0 AEAEMO Cc1nc(C)c(C[N@@H+]2CCC[C@@H]2C)[nH]1 724777657 698077567 /nfs/dbraw/zinc/07/75/67/698077567.db2.gz DMZIRRUJZPOEOC-QMMMGPOBSA-N 1 1 193.294 2.011 10 0 AEAEMO C[N@@H+](Cc1cnc[nH]1)C1(C)CCCC1 724774127 698077604 /nfs/dbraw/zinc/07/76/04/698077604.db2.gz CFCMNASMIQDTDK-UHFFFAOYSA-N 1 1 193.294 2.174 10 0 AEAEMO C[N@H+](Cc1c[nH]cn1)C1(C)CCCC1 724774127 698077610 /nfs/dbraw/zinc/07/76/10/698077610.db2.gz CFCMNASMIQDTDK-UHFFFAOYSA-N 1 1 193.294 2.174 10 0 AEAEMO C[N@@H+](Cc1c[nH]cn1)C1(C)CCCC1 724774127 698077614 /nfs/dbraw/zinc/07/76/14/698077614.db2.gz CFCMNASMIQDTDK-UHFFFAOYSA-N 1 1 193.294 2.174 10 0 AEAEMO Cc1nc(C)c(C[N@H+](C)C(C)(C)C)[nH]1 724777812 698077704 /nfs/dbraw/zinc/07/77/04/698077704.db2.gz IHBCJWXLNGRXQC-UHFFFAOYSA-N 1 1 195.310 2.257 10 0 AEAEMO CC[N@@H+](Cc1[nH]c(C)nc1C)C(C)C 724778018 698077719 /nfs/dbraw/zinc/07/77/19/698077719.db2.gz OQHBCQGYYMYENH-UHFFFAOYSA-N 1 1 195.310 2.257 10 0 AEAEMO CC(=O)[C@H]1CCC[N@H+]([C@H](C)C2CC2)C1 725330091 698079462 /nfs/dbraw/zinc/07/94/62/698079462.db2.gz NNLZALDOICPFJQ-SKDRFNHKSA-N 1 1 195.306 2.086 10 0 AEAEMO Cc1ccc(C[N@H+]2CCC2(C)C)cn1 765590760 698090087 /nfs/dbraw/zinc/09/00/87/698090087.db2.gz OSZPJLUWFSBINT-UHFFFAOYSA-N 1 1 190.290 2.374 10 0 AEAEMO C[C@H](O)CCC[N@H+]1CCCC12CCC2 769985123 698091997 /nfs/dbraw/zinc/09/19/97/698091997.db2.gz UUGAGXMPLWFXLC-NSHDSACASA-N 1 1 197.322 2.166 10 0 AEAEMO COCCCC[N@H+]1CCCC12CCC2 769984125 698092028 /nfs/dbraw/zinc/09/20/28/698092028.db2.gz LJEMWJGDVQLMNC-UHFFFAOYSA-N 1 1 197.322 2.432 10 0 AEAEMO C[C@@H](O)CCC[N@H+]1CCCC12CCC2 769985122 698092111 /nfs/dbraw/zinc/09/21/11/698092111.db2.gz UUGAGXMPLWFXLC-LLVKDONJSA-N 1 1 197.322 2.166 10 0 AEAEMO CC1(C[N@H+]2CCCC23CCC3)COC1 769983942 698092146 /nfs/dbraw/zinc/09/21/46/698092146.db2.gz IWHMKFNDEPVIKD-UHFFFAOYSA-N 1 1 195.306 2.041 10 0 AEAEMO CCC(=O)CC[N@H+]1CCCC12CCC2 769984073 698092210 /nfs/dbraw/zinc/09/22/10/698092210.db2.gz KNMFCPYAHQQGOA-UHFFFAOYSA-N 1 1 195.306 2.374 10 0 AEAEMO OCCCCC[N@H+]1CCCC12CCC2 769984542 698092248 /nfs/dbraw/zinc/09/22/48/698092248.db2.gz PWDQOIPYUODLAA-UHFFFAOYSA-N 1 1 197.322 2.168 10 0 AEAEMO CC(C)OCC[N@H+]1CCCC12CCC2 769984471 698092679 /nfs/dbraw/zinc/09/26/79/698092679.db2.gz ONTZEDITOSGHKF-UHFFFAOYSA-N 1 1 197.322 2.430 10 0 AEAEMO COC(C)(C)C[N@@H+](C)Cc1ccoc1 770330365 698093442 /nfs/dbraw/zinc/09/34/42/698093442.db2.gz IQMAXPFZKSHDSV-UHFFFAOYSA-N 1 1 197.278 2.136 10 0 AEAEMO C[C@H]1C[N@@H+](CCCCCCCO)[C@@H]1C 815166142 698105620 /nfs/dbraw/zinc/10/56/20/698105620.db2.gz ZHVMHYAWUKQDFQ-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[N@@H+](Cc1cc(C)ncn1)C(C)C 794289978 698097803 /nfs/dbraw/zinc/09/78/03/698097803.db2.gz WWSITCOAZQWKEP-UHFFFAOYSA-N 1 1 193.294 2.015 10 0 AEAEMO C[C@H]1C[N@@H+](CCCCCCCO)[C@H]1C 815166143 698105512 /nfs/dbraw/zinc/10/55/12/698105512.db2.gz ZHVMHYAWUKQDFQ-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1CCCCCCCO 815166141 698105534 /nfs/dbraw/zinc/10/55/34/698105534.db2.gz ZHVMHYAWUKQDFQ-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO COCC1(C[N@H+]2C[C@H](C)[C@@H]2C)CCC1 815165050 698105578 /nfs/dbraw/zinc/10/55/78/698105578.db2.gz QKDBLANCBFBJLK-QWRGUYRKSA-N 1 1 197.322 2.143 10 0 AEAEMO COCC1(C[N@H+]2C[C@@H](C)[C@H]2C)CCC1 815165048 698105637 /nfs/dbraw/zinc/10/56/37/698105637.db2.gz QKDBLANCBFBJLK-GHMZBOCLSA-N 1 1 197.322 2.143 10 0 AEAEMO COCC1(C[N@H+]2C[C@@H](C)[C@@H]2C)CCC1 815165049 698105654 /nfs/dbraw/zinc/10/56/54/698105654.db2.gz QKDBLANCBFBJLK-MNOVXSKESA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@@H]1C[N@@H+](CCCCCCCO)[C@@H]1C 815166144 698105724 /nfs/dbraw/zinc/10/57/24/698105724.db2.gz ZHVMHYAWUKQDFQ-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO COCC1(C[N@H+]2C[C@H](C)[C@H]2C)CCC1 815165051 698105746 /nfs/dbraw/zinc/10/57/46/698105746.db2.gz QKDBLANCBFBJLK-WDEREUQCSA-N 1 1 197.322 2.143 10 0 AEAEMO CC(C)CC(=O)CC[N@@H+](C)CC1CC1 827792511 698110445 /nfs/dbraw/zinc/11/04/45/698110445.db2.gz KXXWMGYMKPKMJQ-UHFFFAOYSA-N 1 1 197.322 2.334 10 0 AEAEMO CC[N@@H+](CCC(=O)CC(C)C)C1CC1 827776678 698110452 /nfs/dbraw/zinc/11/04/52/698110452.db2.gz ASRGAYPNRIVQQM-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(C)CC(=O)CC[N@H+]1CCC[C@@H]1C 827964058 698110638 /nfs/dbraw/zinc/11/06/38/698110638.db2.gz CLZBTGYWCVNJBP-NSHDSACASA-N 1 1 197.322 2.476 10 0 AEAEMO CC(C)CC(=O)CC[N@H+]1CCC[C@H]1C 827964056 698110647 /nfs/dbraw/zinc/11/06/47/698110647.db2.gz CLZBTGYWCVNJBP-LLVKDONJSA-N 1 1 197.322 2.476 10 0 AEAEMO CCCCCO[NH+]=C(N)[C@H]1C[C@@H]1C 848517831 698125222 /nfs/dbraw/zinc/12/52/22/698125222.db2.gz IOSWCUZZADEIRZ-IUCAKERBSA-N 1 1 184.283 2.331 10 0 AEAEMO CCCCCO[NH+]=C(N)[C@@H]1C[C@@H]1C 848517830 698125412 /nfs/dbraw/zinc/12/54/12/698125412.db2.gz IOSWCUZZADEIRZ-DTWKUNHWSA-N 1 1 184.283 2.331 10 0 AEAEMO CCCCCO[NH+]=C(N)[C@@H]1C[C@H]1C 848517832 698125419 /nfs/dbraw/zinc/12/54/19/698125419.db2.gz IOSWCUZZADEIRZ-RKDXNWHRSA-N 1 1 184.283 2.331 10 0 AEAEMO CCCCCO[NH+]=C(N)[C@H]1C[C@H]1C 848517829 698125474 /nfs/dbraw/zinc/12/54/74/698125474.db2.gz IOSWCUZZADEIRZ-BDAKNGLRSA-N 1 1 184.283 2.331 10 0 AEAEMO COC1CC(C[N@H+]2CCCC[C@@H]2C)C1 859063410 698133868 /nfs/dbraw/zinc/13/38/68/698133868.db2.gz JJZYUWYVFIWCCY-UNXYVOJBSA-N 1 1 197.322 2.286 10 0 AEAEMO COC1CC(C[N@H+]2CCCC[C@H]2C)C1 859063411 698133927 /nfs/dbraw/zinc/13/39/27/698133927.db2.gz JJZYUWYVFIWCCY-VOMCLLRMSA-N 1 1 197.322 2.286 10 0 AEAEMO CCCC[N@@H+](C)Cc1ccnc(F)c1 859056747 698134020 /nfs/dbraw/zinc/13/40/20/698134020.db2.gz YOOSJCPMJHLJGA-UHFFFAOYSA-N 1 1 196.269 2.453 10 0 AEAEMO C[N@@H+](C[C@H]1CC[C@H](C2CC2)O1)C1CC1 885956186 698148311 /nfs/dbraw/zinc/14/83/11/698148311.db2.gz LGPNFEFUTJYTAX-VXGBXAGGSA-N 1 1 195.306 2.038 10 0 AEAEMO C[N@@H+](C[C@@H]1CC[C@@H](C2CC2)O1)C1CC1 885956185 698148328 /nfs/dbraw/zinc/14/83/28/698148328.db2.gz LGPNFEFUTJYTAX-RYUDHWBXSA-N 1 1 195.306 2.038 10 0 AEAEMO C[N@@H+](C[C@@H]1CC[C@H](C2CC2)O1)C1CC1 885956184 698148357 /nfs/dbraw/zinc/14/83/57/698148357.db2.gz LGPNFEFUTJYTAX-NWDGAFQWSA-N 1 1 195.306 2.038 10 0 AEAEMO COC/C(C)=C/C[N@@H+](C)C1CCCC1 929192135 698179689 /nfs/dbraw/zinc/17/96/89/698179689.db2.gz UQWKYNVUZCNPMC-DHZHZOJOSA-N 1 1 197.322 2.454 10 0 AEAEMO COC/C(C)=C\C[N@H+]1CCC[C@@H](C)C1 929211265 698179697 /nfs/dbraw/zinc/17/96/97/698179697.db2.gz DQUSUNBYRQJCRH-MDUDVEDUSA-N 1 1 197.322 2.311 10 0 AEAEMO COC/C(C)=C/C[N@H+]1CCC[C@@H](C)C1 929211264 698179805 /nfs/dbraw/zinc/17/98/05/698179805.db2.gz DQUSUNBYRQJCRH-GGQLTLKSSA-N 1 1 197.322 2.311 10 0 AEAEMO COC/C(C)=C/C[N@H+]1CCC[C@H](C)C1 929211263 698179810 /nfs/dbraw/zinc/17/98/10/698179810.db2.gz DQUSUNBYRQJCRH-DREKTBMASA-N 1 1 197.322 2.311 10 0 AEAEMO COC/C(C)=C\C[N@H+]1CCC[C@H](C)C1 929211266 698179817 /nfs/dbraw/zinc/17/98/17/698179817.db2.gz DQUSUNBYRQJCRH-RMCZBGCRSA-N 1 1 197.322 2.311 10 0 AEAEMO COC/C(C)=C\C[N@@H+](C)C1CCCC1 929192136 698179911 /nfs/dbraw/zinc/17/99/11/698179911.db2.gz UQWKYNVUZCNPMC-FLIBITNWSA-N 1 1 197.322 2.454 10 0 AEAEMO C[N@@H+](CCc1ccns1)C1CCC1 929719782 698180468 /nfs/dbraw/zinc/18/04/68/698180468.db2.gz HQJBGUCPKPFXMY-UHFFFAOYSA-N 1 1 196.319 2.170 10 0 AEAEMO CCC(CC)C[N@H+]1CC(=O)CC[C@@H]1C 932876843 698183780 /nfs/dbraw/zinc/18/37/80/698183780.db2.gz MDHUKUYREYWWKB-JTQLQIEISA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(CC)C[N@H+]1CC(=O)CC[C@H]1C 932876846 698183473 /nfs/dbraw/zinc/18/34/73/698183473.db2.gz MDHUKUYREYWWKB-SNVBAGLBSA-N 1 1 197.322 2.476 10 0 AEAEMO C[C@@H]1CC[N@@H+](CC2CC=CC2)CCO1 932336819 698183546 /nfs/dbraw/zinc/18/35/46/698183546.db2.gz SEFADLOQYPCVFG-LLVKDONJSA-N 1 1 195.306 2.063 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCO[C@@H](C)CC1 932339367 698183625 /nfs/dbraw/zinc/18/36/25/698183625.db2.gz SVKDHVUXYXTDDY-MNOVXSKESA-N 1 1 185.311 2.286 10 0 AEAEMO C[C@@H]1CCC(=O)C[N@@H+]1CCCC1CC1 932879496 698183668 /nfs/dbraw/zinc/18/36/68/698183668.db2.gz UCLCYWFLNPDMLV-SNVBAGLBSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@@H]1CCC(=O)C[N@H+]1CCCC1CC1 932879496 698183669 /nfs/dbraw/zinc/18/36/69/698183669.db2.gz UCLCYWFLNPDMLV-SNVBAGLBSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCO[C@H](C)CC1 932339369 698183726 /nfs/dbraw/zinc/18/37/26/698183726.db2.gz SVKDHVUXYXTDDY-WDEREUQCSA-N 1 1 185.311 2.286 10 0 AEAEMO C[C@H]1CCC(=O)C[N@@H+]1CCCC1CC1 932879495 698183735 /nfs/dbraw/zinc/18/37/35/698183735.db2.gz UCLCYWFLNPDMLV-JTQLQIEISA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@H]1CCC(=O)C[N@H+]1CCCC1CC1 932879495 698183737 /nfs/dbraw/zinc/18/37/37/698183737.db2.gz UCLCYWFLNPDMLV-JTQLQIEISA-N 1 1 195.306 2.230 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCO[C@@H](C)CC1 932339368 698183788 /nfs/dbraw/zinc/18/37/88/698183788.db2.gz SVKDHVUXYXTDDY-QWRGUYRKSA-N 1 1 185.311 2.286 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCO[C@H](C)CC1 932339366 698183807 /nfs/dbraw/zinc/18/38/07/698183807.db2.gz SVKDHVUXYXTDDY-GHMZBOCLSA-N 1 1 185.311 2.286 10 0 AEAEMO C[C@H]1CC[N@@H+](CC2CC=CC2)CCO1 932336820 698183813 /nfs/dbraw/zinc/18/38/13/698183813.db2.gz SEFADLOQYPCVFG-NSHDSACASA-N 1 1 195.306 2.063 10 0 AEAEMO C[C@]12C[N@@H+](CCF)C[C@H]1[C@H]1C=C[C@@H]2C1 933703278 698184745 /nfs/dbraw/zinc/18/47/45/698184745.db2.gz CXNJSHGUSALNOQ-WHOHXGKFSA-N 1 1 195.281 2.100 10 0 AEAEMO C[NH2+][C@H]1C=C(C)c2ccccc2N1C 196565371 132176903 /nfs/dbraw/zinc/17/69/03/132176903.db2.gz HYCAJSUEHJYTQL-GFCCVEGCSA-N 1 1 188.274 2.085 10 0 AEAEMO CC[N@@H+]1CCCc2cc(N)ccc21 5544077 132181147 /nfs/dbraw/zinc/18/11/47/132181147.db2.gz NJUZHLIMBZRXCS-UHFFFAOYSA-N 1 1 176.263 2.041 10 0 AEAEMO CC[N@H+]1CCCc2cc(N)ccc21 5544077 132181149 /nfs/dbraw/zinc/18/11/49/132181149.db2.gz NJUZHLIMBZRXCS-UHFFFAOYSA-N 1 1 176.263 2.041 10 0 AEAEMO C[C@@H]1CCCCN1c1ccc(N)[nH+]c1 19868043 132184381 /nfs/dbraw/zinc/18/43/81/132184381.db2.gz AEOSVDDUKLQPBT-SECBINFHSA-N 1 1 191.278 2.043 10 0 AEAEMO C[C@H]1CCCCN1c1ccc(N)[nH+]c1 19868045 132184944 /nfs/dbraw/zinc/18/49/44/132184944.db2.gz AEOSVDDUKLQPBT-VIFPVBQESA-N 1 1 191.278 2.043 10 0 AEAEMO C[C@H]([NH3+])c1ncc(-c2cccs2)o1 11587046 343023042 /nfs/dbraw/zinc/02/30/42/343023042.db2.gz LSZHDGSAMOVKIT-LURJTMIESA-N 1 1 194.259 2.423 10 0 AEAEMO C[C@@H]1CCC[N@H+]2CCCC[C@@H]12 15767793 343042678 /nfs/dbraw/zinc/04/26/78/343042678.db2.gz VZEGBIWAIFLVJH-ZJUUUORDSA-N 1 1 153.269 2.271 10 0 AEAEMO Cc1cc2[nH+]c(C)n(C)c2cc1C 21175884 343075228 /nfs/dbraw/zinc/07/52/28/343075228.db2.gz HMGDYVISXLGKFB-UHFFFAOYSA-N 1 1 174.247 2.499 10 0 AEAEMO CC[C@@H]1CC[C@@H](N)[C@@H]([N@@H+](C)C(C)C)C1 22564393 343081923 /nfs/dbraw/zinc/08/19/23/343081923.db2.gz RXZOIICJDTZVTB-UTUOFQBUSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@@H]1CC[C@@H]([NH3+])[C@@H](N(C)C(C)C)C1 22564393 343081924 /nfs/dbraw/zinc/08/19/24/343081924.db2.gz RXZOIICJDTZVTB-UTUOFQBUSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@@H]1CC[C@H](N)[C@@H]([N@@H+](C)C(C)C)C1 22564402 343081935 /nfs/dbraw/zinc/08/19/35/343081935.db2.gz RXZOIICJDTZVTB-WOPDTQHZSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@@H]1CC[C@H]([NH3+])[C@@H](N(C)C(C)C)C1 22564402 343081936 /nfs/dbraw/zinc/08/19/36/343081936.db2.gz RXZOIICJDTZVTB-WOPDTQHZSA-N 1 1 198.354 2.233 10 0 AEAEMO CC1CCN(C[C@@H]([NH3+])C(C)(C)C)CC1 22565568 343081943 /nfs/dbraw/zinc/08/19/43/343081943.db2.gz SWBYLHSWZIQRJR-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CNC[C@@H](C)[N@H+]1C1CCCCC1 22910976 343082935 /nfs/dbraw/zinc/08/29/35/343082935.db2.gz ZGVNJNDDKIWREO-PHIMTYICSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[N@H+]1CCCCC[C@@H]1C 23699229 343083993 /nfs/dbraw/zinc/08/39/93/343083993.db2.gz QTQRVCZPMDXKIV-VIFPVBQESA-N 1 1 141.258 2.271 10 0 AEAEMO CC[C@@H]1CCCCC[N@H+]1C 23699124 343084004 /nfs/dbraw/zinc/08/40/04/343084004.db2.gz JGCCDUKEEAKBOG-SECBINFHSA-N 1 1 141.258 2.271 10 0 AEAEMO CC(C)[C@H](C)Nc1ccc(N)c[nH+]1 26516020 343089581 /nfs/dbraw/zinc/08/95/81/343089581.db2.gz UUCIIYKRLLFDLF-QMMMGPOBSA-N 1 1 179.267 2.120 10 0 AEAEMO C[N@H+]1CC[C@H]1c1ccccc1 32137721 343098115 /nfs/dbraw/zinc/09/81/15/343098115.db2.gz RNZMCZCIMIXBAA-JTQLQIEISA-N 1 1 147.221 2.063 10 0 AEAEMO CC(C)[N@@H+](C)[C@@]1(CN)CCC[C@H](C)C1 34679316 343124429 /nfs/dbraw/zinc/12/44/29/343124429.db2.gz OSUINVPGBNHHRV-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]1CCC[N@@H+](CC(=O)C(C)(C)C)C1 34988879 343126985 /nfs/dbraw/zinc/12/69/85/343126985.db2.gz DZDCJEQFGVNXLH-JTQLQIEISA-N 1 1 197.322 2.334 10 0 AEAEMO CN(c1[nH+]cccc1N)C1CCCC1 37084001 343159126 /nfs/dbraw/zinc/15/91/26/343159126.db2.gz UEQZNKDNOVBCEV-UHFFFAOYSA-N 1 1 191.278 2.043 10 0 AEAEMO CN(c1ccc(N)c[nH+]1)C1CCCC1 37084005 343159136 /nfs/dbraw/zinc/15/91/36/343159136.db2.gz CFUGLBQVYIUWSZ-UHFFFAOYSA-N 1 1 191.278 2.043 10 0 AEAEMO C[N@@H+](C1CCCC1)[C@@H]1CCCC[C@@H]1N 37084350 343159187 /nfs/dbraw/zinc/15/91/87/343159187.db2.gz PLUYMGXIPOZQNC-NWDGAFQWSA-N 1 1 196.338 2.131 10 0 AEAEMO C[N@@H+](C1CCCC1)[C@H]1CCCC[C@@H]1N 37084351 343159195 /nfs/dbraw/zinc/15/91/95/343159195.db2.gz PLUYMGXIPOZQNC-RYUDHWBXSA-N 1 1 196.338 2.131 10 0 AEAEMO CN(c1ccc(N)[nH+]c1)C1CCCC1 37083996 343159294 /nfs/dbraw/zinc/15/92/94/343159294.db2.gz WCMDNNQEXZSPDA-UHFFFAOYSA-N 1 1 191.278 2.043 10 0 AEAEMO CC[C@@H]1CCC[N@H+]([C@@H](C)C(C)=O)C1 37339477 343165794 /nfs/dbraw/zinc/16/57/94/343165794.db2.gz ISAWORMFVKJLBU-GXSJLCMTSA-N 1 1 183.295 2.086 10 0 AEAEMO C[C@H](C1CC1)[N@@H+](C)[C@@H]1CCCCC1=O 37338760 343165841 /nfs/dbraw/zinc/16/58/41/343165841.db2.gz FCOYWYIMZHFNGU-MWLCHTKSSA-N 1 1 195.306 2.228 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1CC(C)(C)O 37693882 343175378 /nfs/dbraw/zinc/17/53/78/343175378.db2.gz HTOHOMQNZDJWBX-SNVBAGLBSA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@H]1CCC[N@H+]1[C@@H]1CCCCC1=O 37914618 343181015 /nfs/dbraw/zinc/18/10/15/343181015.db2.gz VPIOQFFVAQIYTE-WDEREUQCSA-N 1 1 195.306 2.373 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1CC1(N)CCCC1 37914225 343181017 /nfs/dbraw/zinc/18/10/17/343181017.db2.gz DXKZONNWPYWVKX-LLVKDONJSA-N 1 1 196.338 2.132 10 0 AEAEMO CC[C@H]1CCC[N@H+]1CC1(N)CCCC1 37914226 343181084 /nfs/dbraw/zinc/18/10/84/343181084.db2.gz DXKZONNWPYWVKX-NSHDSACASA-N 1 1 196.338 2.132 10 0 AEAEMO CC[C@H]1CCCN1c1ccc(N)c[nH+]1 37913072 343181007 /nfs/dbraw/zinc/18/10/07/343181007.db2.gz FEJBTCOTLDSQIQ-JTQLQIEISA-N 1 1 191.278 2.043 10 0 AEAEMO C[N@H+]1C[C@@H]2CCc3ccccc3[C@@H]2C1 38434569 343188742 /nfs/dbraw/zinc/18/87/42/343188742.db2.gz JMLXYPJMPDOEKO-WCQYABFASA-N 1 1 187.286 2.278 10 0 AEAEMO C[N@H+]1CCCC[C@H]1C(=O)C(C)(C)C 38916439 343192268 /nfs/dbraw/zinc/19/22/68/343192268.db2.gz YOZJLPVBTCHQJP-VIFPVBQESA-N 1 1 183.295 2.086 10 0 AEAEMO Cc1[nH]c2c([nH+]1)C[C@@H](C)[C@@H](C)C2 39133195 343203468 /nfs/dbraw/zinc/20/34/68/343203468.db2.gz MJDPJRXWXFSCOH-KNVOCYPGSA-N 1 1 164.252 2.089 10 0 AEAEMO C[C@H](N)[C@H](C)[N@@H+](C)C1CCCCCC1 41053870 343228540 /nfs/dbraw/zinc/22/85/40/343228540.db2.gz JGJFTQUZGRINMK-QWRGUYRKSA-N 1 1 198.354 2.377 10 0 AEAEMO CC1(Nc2ccc(N)c[nH+]2)CCCC1 42176523 343237620 /nfs/dbraw/zinc/23/76/20/343237620.db2.gz RGZBFDUQRPFNNU-UHFFFAOYSA-N 1 1 191.278 2.408 10 0 AEAEMO CC(=O)C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 42493806 343244244 /nfs/dbraw/zinc/24/42/44/343244244.db2.gz DWXKOCROKBWJHF-MWLCHTKSSA-N 1 1 183.295 2.086 10 0 AEAEMO C[C@@H]1CCC[C@H]([N@@H+](C)CC(C)(C)O)C1 42494145 343244895 /nfs/dbraw/zinc/24/48/95/343244895.db2.gz ZXIVYRYBQKNKIJ-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H]1CCCC[C@H]1[N@H+]1CCC(=O)C1 42580476 343247751 /nfs/dbraw/zinc/24/77/51/343247751.db2.gz RSUOHPFDWRPFQM-CMPLNLGQSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@H]1CCCC[C@@H]1[N@H+]1CCC(=O)C1 42580471 343247846 /nfs/dbraw/zinc/24/78/46/343247846.db2.gz RSUOHPFDWRPFQM-JQWIXIFHSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@H]1CCCC[C@H]1[N@@H+](C)CC(C)(C)N 42611035 343248285 /nfs/dbraw/zinc/24/82/85/343248285.db2.gz IHVIOCCASACVFU-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]([N@@H+](C)C1CCNCC1)C(C)(C)C 42768025 343248910 /nfs/dbraw/zinc/24/89/10/343248910.db2.gz UQXLDEVIRBFRQB-JTQLQIEISA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC(=O)C1 42863752 343250172 /nfs/dbraw/zinc/25/01/72/343250172.db2.gz TVUFHTAHWSMMBC-GHMZBOCLSA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@H]1CCCC[C@@H]1C[N@@H+]1CCC(=O)C1 42863754 343250244 /nfs/dbraw/zinc/25/02/44/343250244.db2.gz TVUFHTAHWSMMBC-WDEREUQCSA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@H]1CCCC[C@@H]1C[N@H+]1CCC(=O)C1 42863754 343250245 /nfs/dbraw/zinc/25/02/45/343250245.db2.gz TVUFHTAHWSMMBC-WDEREUQCSA-N 1 1 195.306 2.088 10 0 AEAEMO Cc1ccsc1[C@@H]([C@H](C)N)[NH+](C)C 43247508 343250817 /nfs/dbraw/zinc/25/08/17/343250817.db2.gz YKVGEDYGVNLHBL-DTWKUNHWSA-N 1 1 198.335 2.006 10 0 AEAEMO Cc1ccsc1[C@H]([C@H](C)N)[NH+](C)C 43247510 343250826 /nfs/dbraw/zinc/25/08/26/343250826.db2.gz YKVGEDYGVNLHBL-IUCAKERBSA-N 1 1 198.335 2.006 10 0 AEAEMO Cc1ccsc1[C@@H]([C@@H](C)N)[NH+](C)C 43247504 343250846 /nfs/dbraw/zinc/25/08/46/343250846.db2.gz YKVGEDYGVNLHBL-RKDXNWHRSA-N 1 1 198.335 2.006 10 0 AEAEMO CC[C@H]([NH3+])c1nc2cccc(C)c2[nH]1 43598515 343256216 /nfs/dbraw/zinc/25/62/16/343256216.db2.gz UEIIBGFKJFPWHB-QMMMGPOBSA-N 1 1 189.262 2.281 10 0 AEAEMO C[NH2+]C(c1ccco1)c1ccco1 43607280 343256596 /nfs/dbraw/zinc/25/65/96/343256596.db2.gz LUVNNFWOSQTEGK-UHFFFAOYSA-N 1 1 177.203 2.181 10 0 AEAEMO CC[C@@H]1CCC[N@@H+]1[C@@H]1CCC[C@@H]1NC 43904026 343260072 /nfs/dbraw/zinc/26/00/72/343260072.db2.gz SDTMFIQCQTYDFJ-GRYCIOLGSA-N 1 1 196.338 2.001 10 0 AEAEMO C[N@@H+](CC1CC1)[C@@H]1CCCCC[C@@H]1O 44161544 343261470 /nfs/dbraw/zinc/26/14/70/343261470.db2.gz QVWWUHHADLXLTK-NEPJUHHUSA-N 1 1 197.322 2.022 10 0 AEAEMO Cc1[nH+]ccn1[C@@H]1CCCCC[C@H]1O 44181078 343261874 /nfs/dbraw/zinc/26/18/74/343261874.db2.gz JIZKDLIIPSLIMW-GHMZBOCLSA-N 1 1 194.278 2.058 10 0 AEAEMO C[C@H](CN)[NH+]1CCC(C(C)(C)C)CC1 50346026 343282164 /nfs/dbraw/zinc/28/21/64/343282164.db2.gz LLKCRZRAJFDVRK-SNVBAGLBSA-N 1 1 198.354 2.092 10 0 AEAEMO Cc1ccc(OC2CCCC2)c(N)[nH+]1 50440863 343283204 /nfs/dbraw/zinc/28/32/04/343283204.db2.gz VAHOZRPDTPJADY-UHFFFAOYSA-N 1 1 192.262 2.294 10 0 AEAEMO Cc1[nH+]c2ccccc2c(NN)c1C 51169374 343289226 /nfs/dbraw/zinc/28/92/26/343289226.db2.gz RSQNTOVZEMJFNV-UHFFFAOYSA-N 1 1 187.246 2.137 10 0 AEAEMO C[C@H]1CCC[N@H+]1CC1(CO)CCCC1 51291345 343289404 /nfs/dbraw/zinc/28/94/04/343289404.db2.gz ZSWDKDXIFJKQSM-NSHDSACASA-N 1 1 197.322 2.023 10 0 AEAEMO CC(C)[C@@H](N)C[N@H+]1CC[C@H](C)C[C@H]1C 51746861 343292809 /nfs/dbraw/zinc/29/28/09/343292809.db2.gz AGJOKMIABWPYPR-TUAOUCFPSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@@H]([NH3+])CN1CC[C@H](C)C[C@H]1C 51746861 343292810 /nfs/dbraw/zinc/29/28/10/343292810.db2.gz AGJOKMIABWPYPR-TUAOUCFPSA-N 1 1 198.354 2.090 10 0 AEAEMO Cc1ccc[nH+]c1N[C@@H]1C[C@H]1C 52290315 343304575 /nfs/dbraw/zinc/30/45/75/343304575.db2.gz YRSZWTRIPHTTON-RKDXNWHRSA-N 1 1 162.236 2.210 10 0 AEAEMO Cc1cccc(N[C@@H]2C[C@@H]2C)[nH+]1 52290113 343304605 /nfs/dbraw/zinc/30/46/05/343304605.db2.gz BQVUBMZRQZBSGJ-IONNQARKSA-N 1 1 162.236 2.210 10 0 AEAEMO Cc1cccc(N[C@@H]2C[C@H]2C)[nH+]1 52290120 343304653 /nfs/dbraw/zinc/30/46/53/343304653.db2.gz BQVUBMZRQZBSGJ-VXNVDRBHSA-N 1 1 162.236 2.210 10 0 AEAEMO Cc1cccc(N[C@H]2C[C@H]2C)[nH+]1 52290122 343304693 /nfs/dbraw/zinc/30/46/93/343304693.db2.gz BQVUBMZRQZBSGJ-APPZFPTMSA-N 1 1 162.236 2.210 10 0 AEAEMO Cc1ccc(N[C@@H]2C[C@H]2C)[nH+]c1 52291874 343304904 /nfs/dbraw/zinc/30/49/04/343304904.db2.gz MNOHRFDMKUGHFA-RKDXNWHRSA-N 1 1 162.236 2.210 10 0 AEAEMO CC[N@@H+](C)Cc1ccnc(Cl)c1 52709183 343306553 /nfs/dbraw/zinc/30/65/53/343306553.db2.gz OBGYDHNSCCMJPH-UHFFFAOYSA-N 1 1 184.670 2.187 10 0 AEAEMO CC[N@H+](C)Cc1cccnc1Cl 52709181 343306698 /nfs/dbraw/zinc/30/66/98/343306698.db2.gz DTUUTUJWMXNQPM-UHFFFAOYSA-N 1 1 184.670 2.187 10 0 AEAEMO CC[N@@H+](C)Cc1cccnc1Cl 52709181 343306699 /nfs/dbraw/zinc/30/66/99/343306699.db2.gz DTUUTUJWMXNQPM-UHFFFAOYSA-N 1 1 184.670 2.187 10 0 AEAEMO CCCCC[N@H+]1CCC[C@@H]1CCCO 52761808 343306955 /nfs/dbraw/zinc/30/69/55/343306955.db2.gz HTUDWAMULASBRK-GFCCVEGCSA-N 1 1 199.338 2.414 10 0 AEAEMO COC(=[NH2+])Cc1cc(C)cc(C)c1 53749744 343315822 /nfs/dbraw/zinc/31/58/22/343315822.db2.gz REDMBYOBVQTBKY-UHFFFAOYSA-N 1 1 177.247 2.470 10 0 AEAEMO CC[C@H]1CCC[N@H+]1C[C@@H]1CCCC1=O 53924570 343316942 /nfs/dbraw/zinc/31/69/42/343316942.db2.gz XWYGWXVVUIEHQH-QWRGUYRKSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@H]1CCC[N@@H+]1[C@@H]1CCCCNC1 54134820 343318010 /nfs/dbraw/zinc/31/80/10/343318010.db2.gz HFRJOUYATKYJRV-NWDGAFQWSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H]1CCC[N@H+]1[C@@H]1CCCCNC1 54134820 343318011 /nfs/dbraw/zinc/31/80/11/343318011.db2.gz HFRJOUYATKYJRV-NWDGAFQWSA-N 1 1 196.338 2.003 10 0 AEAEMO C[N@H+](C1CCCC1)[C@@H]1CCCCNC1 54134985 343318031 /nfs/dbraw/zinc/31/80/31/343318031.db2.gz HHCFWGSQAFKDDW-GFCCVEGCSA-N 1 1 196.338 2.003 10 0 AEAEMO C[N@@H+](C1CCCC1)[C@@H]1CCCCNC1 54134985 343318032 /nfs/dbraw/zinc/31/80/32/343318032.db2.gz HHCFWGSQAFKDDW-GFCCVEGCSA-N 1 1 196.338 2.003 10 0 AEAEMO CC(C)[C@@H](C)[N@H+](C)[C@@H]1CCCCNC1 54135084 343318048 /nfs/dbraw/zinc/31/80/48/343318048.db2.gz XSFODNWUUZXOLT-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)[C@@H]1CCCCNC1 54135084 343318049 /nfs/dbraw/zinc/31/80/49/343318049.db2.gz XSFODNWUUZXOLT-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@H]1CCCC[N@@H+]1[C@@H]1CCCCNC1 54134835 343318067 /nfs/dbraw/zinc/31/80/67/343318067.db2.gz OFOCAUPIPHAXNG-NWDGAFQWSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@H]1CCCC[N@H+]1[C@@H]1CCCCNC1 54134835 343318068 /nfs/dbraw/zinc/31/80/68/343318068.db2.gz OFOCAUPIPHAXNG-NWDGAFQWSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@H]1C[C@@H](N(C)CC[NH3+])CC(C)(C)C1 54417020 343323868 /nfs/dbraw/zinc/32/38/68/343323868.db2.gz NOJHPZYAIYTMNO-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO NC[C@@H]1CCC[N@H+]1C1CCCCCC1 59341186 343344186 /nfs/dbraw/zinc/34/41/86/343344186.db2.gz ZKPMZNKACNAILK-LBPRGKRZSA-N 1 1 196.338 2.132 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@H](C)NC[C@@H]1C(C)C 62568307 343376041 /nfs/dbraw/zinc/37/60/41/343376041.db2.gz CYARXZUFLWBZLG-SDDRHHMPSA-N 1 1 198.354 2.103 10 0 AEAEMO CCC1(C)CCN([C@@H](C)[C@H](C)[NH3+])CC1 62953075 343388136 /nfs/dbraw/zinc/38/81/36/343388136.db2.gz JPPVLQGRGZSTDX-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC1(C)CCN([C@H](C)[C@H](C)[NH3+])CC1 62953076 343388143 /nfs/dbraw/zinc/38/81/43/343388143.db2.gz JPPVLQGRGZSTDX-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[N@@H+](C)Cc1ccc(N)c(F)c1 63011199 343396766 /nfs/dbraw/zinc/39/67/66/343396766.db2.gz DGIXMXBLFDYKPE-UHFFFAOYSA-N 1 1 196.269 2.248 10 0 AEAEMO C[N@@H+](Cc1ccc(N)c(F)c1)C1CC1 63011239 343396843 /nfs/dbraw/zinc/39/68/43/343396843.db2.gz AEVFBIABCUAWGB-UHFFFAOYSA-N 1 1 194.253 2.002 10 0 AEAEMO C[C@@H]1CC[C@H]([N@H+](C)C2CCCC2)CN1 62948636 343387274 /nfs/dbraw/zinc/38/72/74/343387274.db2.gz TYCLJJRKSYEXPL-PWSUYJOCSA-N 1 1 196.338 2.001 10 0 AEAEMO CC1(C)CCC[N@H+]1C[C@@H]1CCC[C@@H]1O 63073577 343401190 /nfs/dbraw/zinc/40/11/90/343401190.db2.gz JCDGPZURIOUFQY-QWRGUYRKSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H](N)[C@@H]1CCCC[N@H+]1C1CCCC1 63191577 343405336 /nfs/dbraw/zinc/40/53/36/343405336.db2.gz GCKKRFBKQSLZEK-PWSUYJOCSA-N 1 1 196.338 2.131 10 0 AEAEMO C[C@@H](N)[C@@H]1CCCC[N@H+]1CC(C)(C)C 63192082 343405741 /nfs/dbraw/zinc/40/57/41/343405741.db2.gz PAUZOGPCXRBCDD-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO Cc1ccc([C@H]2[NH2+]C[C@@H](C)O[C@H]2C)o1 68576047 343411626 /nfs/dbraw/zinc/41/16/26/343411626.db2.gz HXYAVPAYEXEPCU-YWVKMMECSA-N 1 1 195.262 2.026 10 0 AEAEMO Nc1[nH+]cccc1Cc1cccs1 69841446 343444482 /nfs/dbraw/zinc/44/44/82/343444482.db2.gz APLQUTCVDLVENK-UHFFFAOYSA-N 1 1 190.271 2.316 10 0 AEAEMO CO[C@H]1CCC[C@H](n2cc[nH+]c2C)C1 69850232 343447984 /nfs/dbraw/zinc/44/79/84/343447984.db2.gz JZMWFFVJWIPKNC-QWRGUYRKSA-N 1 1 194.278 2.322 10 0 AEAEMO CO[C@@H]1CCC[C@H](n2cc[nH+]c2C)C1 69850235 343448005 /nfs/dbraw/zinc/44/80/05/343448005.db2.gz JZMWFFVJWIPKNC-WDEREUQCSA-N 1 1 194.278 2.322 10 0 AEAEMO CO[C@H]1CCC[C@@H](n2cc[nH+]c2C)C1 69850231 343448026 /nfs/dbraw/zinc/44/80/26/343448026.db2.gz JZMWFFVJWIPKNC-MNOVXSKESA-N 1 1 194.278 2.322 10 0 AEAEMO CC1(C)CCC[N@H+]([C@@H]2CCCC2=O)C1 69793569 343442429 /nfs/dbraw/zinc/44/24/29/343442429.db2.gz TWUCAEZUDPZSOX-SNVBAGLBSA-N 1 1 195.306 2.230 10 0 AEAEMO Cc1cc[nH+]c(N)c1-c1ccco1 69942719 343458306 /nfs/dbraw/zinc/45/83/06/343458306.db2.gz RUDWMFFLYOHYJD-UHFFFAOYSA-N 1 1 174.203 2.232 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1CCCCCO 69945406 343460021 /nfs/dbraw/zinc/46/00/21/343460021.db2.gz WQGZGMLHHUTBHZ-LBPRGKRZSA-N 1 1 199.338 2.414 10 0 AEAEMO CC[C@H]1CCC[N@H+]([C@@H](C)C(C)=O)CC1 70613764 343502821 /nfs/dbraw/zinc/50/28/21/343502821.db2.gz UKPFSNWQKYVJQM-JQWIXIFHSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(C)[N@@H+](C)[C@H]1CC(C)(C)CC[C@@H]1O 70654713 343520257 /nfs/dbraw/zinc/52/02/57/343520257.db2.gz ZIOCOGFEAFJRGK-QWRGUYRKSA-N 1 1 199.338 2.266 10 0 AEAEMO CCC[N@@H+](C)[C@@H]1CC(C)(C)CC[C@@H]1O 70654736 343520330 /nfs/dbraw/zinc/52/03/30/343520330.db2.gz HWEMSMRCQXADLX-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H]1CC(=O)CC[N@@H+]1[C@H]1CCC[C@H]1C 70832051 343534767 /nfs/dbraw/zinc/53/47/67/343534767.db2.gz YUESDBYIDVQDTR-SCVCMEIPSA-N 1 1 195.306 2.228 10 0 AEAEMO CC[N@H+]1C[C@](C)(CC)NC[C@]1(C)CC 71357665 343552553 /nfs/dbraw/zinc/55/25/53/343552553.db2.gz QVHYCAGJNWEUER-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCN1C[C@](C)(CC)[NH2+]C[C@]1(C)CC 71357665 343552554 /nfs/dbraw/zinc/55/25/54/343552554.db2.gz QVHYCAGJNWEUER-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H]1CNC2(CCCC2)C[N@H+]1CC 71358278 343552559 /nfs/dbraw/zinc/55/25/59/343552559.db2.gz DKBKHQJIDMKQEV-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@@H]1C[NH2+]C2(CCCC2)CN1CC 71358278 343552560 /nfs/dbraw/zinc/55/25/60/343552560.db2.gz DKBKHQJIDMKQEV-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@@H]1CNC2(CCCCC2)C[N@@H+]1C 71359449 343552564 /nfs/dbraw/zinc/55/25/64/343552564.db2.gz RQLJXYQFQSNBSV-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@@H]1CNC2(CCCCC2)C[N@H+]1C 71359449 343552565 /nfs/dbraw/zinc/55/25/65/343552565.db2.gz RQLJXYQFQSNBSV-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[N@@H+]1CC2(CCCCC2)NC[C@@H]1C 71359257 343552567 /nfs/dbraw/zinc/55/25/67/343552567.db2.gz YSDWHZNWYRQKFK-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[N@H+]1CC2(CCCCC2)NC[C@@H]1C 71359257 343552568 /nfs/dbraw/zinc/55/25/68/343552568.db2.gz YSDWHZNWYRQKFK-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC(C)[N@@H+](C)Cc1c(N)cccc1F 70961491 343544970 /nfs/dbraw/zinc/54/49/70/343544970.db2.gz BMHNPQLTPNMNMQ-UHFFFAOYSA-N 1 1 196.269 2.248 10 0 AEAEMO C1CCC([NH2+]N2CCCCC2)CC1 80271324 343591362 /nfs/dbraw/zinc/59/13/62/343591362.db2.gz FTVVUUWIBJSBHT-UHFFFAOYSA-N 1 1 182.311 2.310 10 0 AEAEMO Cc1ccc(-c2[nH]c(N)[nH+]c2C)cc1 82530018 343605987 /nfs/dbraw/zinc/60/59/87/343605987.db2.gz CFPIEXQVBPINND-UHFFFAOYSA-N 1 1 187.246 2.276 10 0 AEAEMO C[C@H]1CC[C@H](C)[N@@H+](CCCCCO)C1 84050525 343630098 /nfs/dbraw/zinc/63/00/98/343630098.db2.gz OYFGQFZCRJULAR-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO C[C@@H]1CC[C@@H](C)[N@@H+](CCCCCO)C1 84050528 343630116 /nfs/dbraw/zinc/63/01/16/343630116.db2.gz OYFGQFZCRJULAR-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)[C@@H]1CCNc2ccc[nH+]c2N1 107135394 343743655 /nfs/dbraw/zinc/74/36/55/343743655.db2.gz QNNYCOPZEMQHKX-VIFPVBQESA-N 1 1 191.278 2.334 10 0 AEAEMO C[C@H]1C[C@](O)(C2CCCCC2)C[N@H+]1C 127528997 343813147 /nfs/dbraw/zinc/81/31/47/343813147.db2.gz QCOUABDBPSNENC-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1C[C@](O)(CC2CCCC2)C[N@H+]1C 127545348 343813417 /nfs/dbraw/zinc/81/34/17/343813417.db2.gz DAVWTAZWSYTXTP-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@@H+](C1CCC1)[C@@H]1CCCCC[C@@H]1O 127681182 343816926 /nfs/dbraw/zinc/81/69/26/343816926.db2.gz YHYXUCQLSKPTSZ-NEPJUHHUSA-N 1 1 197.322 2.164 10 0 AEAEMO C[N@@H+](C1CCC1)[C@H]1CCCCC[C@@H]1O 127681446 343816934 /nfs/dbraw/zinc/81/69/34/343816934.db2.gz YHYXUCQLSKPTSZ-RYUDHWBXSA-N 1 1 197.322 2.164 10 0 AEAEMO Cc1[nH]c2c([nH+]1)CCC[C@H]2C 127464341 343811448 /nfs/dbraw/zinc/81/14/48/343811448.db2.gz GDKAPGMGFDSKQG-ZCFIWIBFSA-N 1 1 150.225 2.158 10 0 AEAEMO CCc1[nH]c2c([nH+]1)CCC[C@@H]2C 127463202 343811522 /nfs/dbraw/zinc/81/15/22/343811522.db2.gz FTEXMRMJKRDQTO-ZETCQYMHSA-N 1 1 164.252 2.412 10 0 AEAEMO CCc1[nH]c2c([nH+]1)[C@H](C)CCC2 127462965 343811934 /nfs/dbraw/zinc/81/19/34/343811934.db2.gz FTEXMRMJKRDQTO-SSDOTTSWSA-N 1 1 164.252 2.412 10 0 AEAEMO CCc1[nH]c2c([nH+]1)CCC[C@H]2C 127462965 343811936 /nfs/dbraw/zinc/81/19/36/343811936.db2.gz FTEXMRMJKRDQTO-SSDOTTSWSA-N 1 1 164.252 2.412 10 0 AEAEMO CC[C@H]1CCNc2ccc[nH+]c2N1 128073175 343824306 /nfs/dbraw/zinc/82/43/06/343824306.db2.gz JVAYAKJQIWIUEH-QMMMGPOBSA-N 1 1 177.251 2.088 10 0 AEAEMO C[C@H](CO)C[N@@H+](C)CC1CCCCC1 128369179 343830102 /nfs/dbraw/zinc/83/01/02/343830102.db2.gz HGICYULPUNYBFN-NSHDSACASA-N 1 1 199.338 2.127 10 0 AEAEMO CC(C)(C)C[N@H+]1CCC[C@@](C)(CO)C1 128411043 343830485 /nfs/dbraw/zinc/83/04/85/343830485.db2.gz AQKFTIBQAWFGNI-GFCCVEGCSA-N 1 1 199.338 2.127 10 0 AEAEMO CC(C)[NH2+]C1CCN(C2CCC2)CC1 128552059 343833529 /nfs/dbraw/zinc/83/35/29/343833529.db2.gz FLQQNDHETMWRJD-UHFFFAOYSA-N 1 1 196.338 2.001 10 0 AEAEMO [NH3+]CC(F)(F)c1ccccc1Cl 131745017 343888146 /nfs/dbraw/zinc/88/81/46/343888146.db2.gz YILRUAGZLQVEDJ-UHFFFAOYSA-N 1 1 191.608 2.391 10 0 AEAEMO C[NH2+][C@@H](C=C(C)C)c1ncccc1F 131475005 343886049 /nfs/dbraw/zinc/88/60/49/343886049.db2.gz ZARADJPDXZVDED-JTQLQIEISA-N 1 1 194.253 2.447 10 0 AEAEMO C[NH2+][C@H](C=C(C)C)c1ncc(C)cn1 132676065 343902423 /nfs/dbraw/zinc/90/24/23/343902423.db2.gz UFGFCEVQUJFDHC-SNVBAGLBSA-N 1 1 191.278 2.012 10 0 AEAEMO C/C=C(\CC)[N@H+](C)CC 100227512 166058709 /nfs/dbraw/zinc/05/87/09/166058709.db2.gz FZFVCMWZFUVWNJ-VMPITWQZSA-N 1 1 127.231 2.252 10 0 AEAEMO C/C=C/[N@H+](CC)C(C)C 100227561 166064656 /nfs/dbraw/zinc/06/46/56/166064656.db2.gz LSOJLYLCGZWHJD-FNORWQNLSA-N 1 1 127.231 2.250 10 0 AEAEMO C/C=C1\CCC[N@H+](C(C)C)C1 39103190 166066568 /nfs/dbraw/zinc/06/65/68/166066568.db2.gz LRCLSXIIGYSZHI-ONNFQVAWSA-N 1 1 153.269 2.437 10 0 AEAEMO C/C=C/c1nnc([C@H]([NH3+])C(C)(C)C)o1 83342379 166066575 /nfs/dbraw/zinc/06/65/75/166066575.db2.gz CBWHAIWASMEJSD-GJIOHYHPSA-N 1 1 195.266 2.149 10 0 AEAEMO C/C=C/c1cc(C)cc(N)[nH+]1 40424901 166066611 /nfs/dbraw/zinc/06/66/11/166066611.db2.gz QHUQCHMVBGZYHI-ONEGZZNKSA-N 1 1 148.209 2.005 10 0 in-vivo AEAEMO C1=C(C[N@H+]2CCCOCC2)CCCC1 334656970 166071855 /nfs/dbraw/zinc/07/18/55/166071855.db2.gz RAHXHNZVBJUTLN-UHFFFAOYSA-N 1 1 195.306 2.209 10 0 AEAEMO C1=C2CCCC[N@@H+]2CCC1 3650931 166073442 /nfs/dbraw/zinc/07/34/42/166073442.db2.gz XRJWBIZYAUPOEA-UHFFFAOYSA-N 1 1 137.226 2.150 10 0 AEAEMO C1=CC2=[NH+]Cc3cccc(c32)C1 39095531 166073625 /nfs/dbraw/zinc/07/36/25/166073625.db2.gz MSQPGRIWNOFABJ-UHFFFAOYSA-N 1 1 155.200 2.102 10 0 AEAEMO C1=C(c2cccnc2)C2CC[NH+]1CC2 13519591 166074624 /nfs/dbraw/zinc/07/46/24/166074624.db2.gz PCNGVLCVMWZSOR-UHFFFAOYSA-N 1 1 186.258 2.148 10 0 AEAEMO C1=Cc2ccccc2NC=[NH+]1 23672690 166079123 /nfs/dbraw/zinc/07/91/23/166079123.db2.gz FMMHUIFSJWVNAE-UHFFFAOYSA-N 1 1 144.177 2.111 10 0 AEAEMO C1CC([N@H+]2CCOC3(CCCC3)C2)C1 335948652 166083406 /nfs/dbraw/zinc/08/34/06/166083406.db2.gz BDJLVSHZHVWNJD-UHFFFAOYSA-N 1 1 195.306 2.184 10 0 AEAEMO C1CC([N@H+]2CCCC3(CC3)C2)C1 307677205 166083484 /nfs/dbraw/zinc/08/34/84/166083484.db2.gz IREODBJLMJMPBG-UHFFFAOYSA-N 1 1 165.280 2.415 10 0 AEAEMO C1CC([N@H+]2CCC3(CCC3)C2)C1 306258621 166083559 /nfs/dbraw/zinc/08/35/59/166083559.db2.gz SDQFKMDJNTXJAR-UHFFFAOYSA-N 1 1 165.280 2.415 10 0 AEAEMO C1CC([N@@H+]2C[C@H]3CCC[C@H]3C2)C1 306530177 166083920 /nfs/dbraw/zinc/08/39/20/166083920.db2.gz GPXDZRRNCKFHNR-AOOOYVTPSA-N 1 1 165.280 2.271 10 0 AEAEMO C1CC([N@H+]2CC[C@@H](C3CC3)C2)C1 307075306 166084130 /nfs/dbraw/zinc/08/41/30/166084130.db2.gz FDTSNXPYTOITGE-SNVBAGLBSA-N 1 1 165.280 2.271 10 0 AEAEMO C1CC([N@H+]2CC[C@H](C3CC3)C2)C1 307075303 166084137 /nfs/dbraw/zinc/08/41/37/166084137.db2.gz FDTSNXPYTOITGE-JTQLQIEISA-N 1 1 165.280 2.271 10 0 AEAEMO C1CC([N@H+]2CCOCC3(CCC3)C2)C1 336048849 166084238 /nfs/dbraw/zinc/08/42/38/166084238.db2.gz ABRRRWVCYAFUBQ-UHFFFAOYSA-N 1 1 195.306 2.041 10 0 AEAEMO C1CC(C[N@H+]2CCC23CCC3)C1 307314214 166084430 /nfs/dbraw/zinc/08/44/30/166084430.db2.gz HYIHBAHKAILKQR-UHFFFAOYSA-N 1 1 165.280 2.415 10 0 AEAEMO C1CC2(C1)CC[N@@H+]2CCC1CC1 334145927 166084901 /nfs/dbraw/zinc/08/49/01/166084901.db2.gz NSJGBVYAAKUBKV-UHFFFAOYSA-N 1 1 165.280 2.415 10 0 AEAEMO C1CC([C@@H]2C[N@H+](C3CCC3)CCO2)C1 334815237 166085668 /nfs/dbraw/zinc/08/56/68/166085668.db2.gz QKNQDXFRCLRCHJ-LBPRGKRZSA-N 1 1 195.306 2.040 10 0 AEAEMO C1CC([C@H]2C[N@H+](C3CCC3)CCO2)C1 334815236 166085945 /nfs/dbraw/zinc/08/59/45/166085945.db2.gz QKNQDXFRCLRCHJ-GFCCVEGCSA-N 1 1 195.306 2.040 10 0 AEAEMO C1CC2(C1)CC[N@@H+]2CC1CCOCC1 336486110 166085955 /nfs/dbraw/zinc/08/59/55/166085955.db2.gz OOVIRUZBZFDRBK-UHFFFAOYSA-N 1 1 195.306 2.041 10 0 AEAEMO C1CC2(C1)CC[N@@H+]2CC1CC1 336554790 166086012 /nfs/dbraw/zinc/08/60/12/166086012.db2.gz OIHHENODOOPRCF-UHFFFAOYSA-N 1 1 151.253 2.025 10 0 AEAEMO C1CC2(C1)CC[N@@H+]2CC[C@H]1CCOC1 334378039 166086068 /nfs/dbraw/zinc/08/60/68/166086068.db2.gz GUDKVMMYWKYZQO-NSHDSACASA-N 1 1 195.306 2.041 10 0 AEAEMO C1CC2(C1)CC[N@@H+]2CC[C@@H]1CCOC1 334378037 166086461 /nfs/dbraw/zinc/08/64/61/166086461.db2.gz GUDKVMMYWKYZQO-LLVKDONJSA-N 1 1 195.306 2.041 10 0 AEAEMO C1CCC([N@H+]2CCO[C@H]3CCC[C@@H]32)C1 335914257 166086877 /nfs/dbraw/zinc/08/68/77/166086877.db2.gz WJWWKURQPOLXAC-RYUDHWBXSA-N 1 1 195.306 2.182 10 0 AEAEMO C1CCC([N@H+]2CC[C@@H]3OCC[C@@H]3C2)C1 335421951 166086902 /nfs/dbraw/zinc/08/69/02/166086902.db2.gz ICFCXHZUXMSKFU-PWSUYJOCSA-N 1 1 195.306 2.040 10 0 AEAEMO C1CCC([N@H+]2CCO[C@@H]3CCC[C@H]32)C1 335914258 166086961 /nfs/dbraw/zinc/08/69/61/166086961.db2.gz WJWWKURQPOLXAC-VXGBXAGGSA-N 1 1 195.306 2.182 10 0 AEAEMO C1CCC([N@@H+]2CCOC[C@H]2C2CC2)C1 336586695 166087132 /nfs/dbraw/zinc/08/71/32/166087132.db2.gz HEKMDZLAGQKEGS-LBPRGKRZSA-N 1 1 195.306 2.040 10 0 AEAEMO C1CCC([N@@H+]2CCOC[C@@H]2C2CC2)C1 336586694 166087275 /nfs/dbraw/zinc/08/72/75/166087275.db2.gz HEKMDZLAGQKEGS-GFCCVEGCSA-N 1 1 195.306 2.040 10 0 AEAEMO C1CCC([N@H+]2CCO[C@@H]3CCC[C@@H]32)C1 335914256 166087297 /nfs/dbraw/zinc/08/72/97/166087297.db2.gz WJWWKURQPOLXAC-NWDGAFQWSA-N 1 1 195.306 2.182 10 0 AEAEMO C1CCC([N@@H+]2CCOCC23CCC3)C1 335748076 166087545 /nfs/dbraw/zinc/08/75/45/166087545.db2.gz JFHFDHMJFXGKIT-UHFFFAOYSA-N 1 1 195.306 2.184 10 0 AEAEMO C1CCC([N@@H+]2CCO[C@@H](C3CC3)C2)C1 336521705 166087846 /nfs/dbraw/zinc/08/78/46/166087846.db2.gz XUOVXFQPSHIPAR-GFCCVEGCSA-N 1 1 195.306 2.040 10 0 AEAEMO C1CCC([N@@H+]2CCO[C@H](C3CC3)C2)C1 336521706 166088025 /nfs/dbraw/zinc/08/80/25/166088025.db2.gz XUOVXFQPSHIPAR-LBPRGKRZSA-N 1 1 195.306 2.040 10 0 AEAEMO C1CCC([N@H+]2CCO[C@H]3CCC[C@H]32)C1 335541280 166088172 /nfs/dbraw/zinc/08/81/72/166088172.db2.gz WJWWKURQPOLXAC-NEPJUHHUSA-N 1 1 195.306 2.182 10 0 AEAEMO C1CCC[NH+]([C@@H]2CCCCNC2)CC1 54134845 166089358 /nfs/dbraw/zinc/08/93/58/166089358.db2.gz UBOIOJGFXDFEOM-GFCCVEGCSA-N 1 1 196.338 2.005 10 0 AEAEMO C1CCCC([N@H+]2CCCNCC2)CC1 38086851 166089560 /nfs/dbraw/zinc/08/95/60/166089560.db2.gz QYTQICRTDCZRAN-UHFFFAOYSA-N 1 1 196.338 2.005 10 0 AEAEMO C1CCC[NH+]([C@@H]2CCCNC2)CCC1 37246878 166089845 /nfs/dbraw/zinc/08/98/45/166089845.db2.gz XVKSGDSAZDMGLH-GFCCVEGCSA-N 1 1 196.338 2.005 10 0 AEAEMO C1CCC[NH+](C2CCNCC2)CCC1 20266060 166089879 /nfs/dbraw/zinc/08/98/79/166089879.db2.gz JUSPAUIELVLQHE-UHFFFAOYSA-N 1 1 196.338 2.005 10 0 AEAEMO C1CCC[NH+](CCNC2CC2)CCC1 37476724 166090156 /nfs/dbraw/zinc/09/01/56/166090156.db2.gz NTJNVPQQIQCVIT-UHFFFAOYSA-N 1 1 196.338 2.005 10 0 AEAEMO C1CC[N@H+]2CC[C@@H]3CC[C@H](C1)[C@@H]32 39111794 166090960 /nfs/dbraw/zinc/09/09/60/166090960.db2.gz HPUKHSAVPLQDDA-DCAQKATOSA-N 1 1 165.280 2.271 10 0 AEAEMO C1CCC[NH+]([C@H]2CCCNC2)CCC1 37246880 166091155 /nfs/dbraw/zinc/09/11/55/166091155.db2.gz XVKSGDSAZDMGLH-LBPRGKRZSA-N 1 1 196.338 2.005 10 0 AEAEMO C1CC[N@@H+]2CCOC3(CCCC3)[C@H]2C1 39112495 166091368 /nfs/dbraw/zinc/09/13/68/166091368.db2.gz SXUQESUGFUCHMX-LLVKDONJSA-N 1 1 195.306 2.184 10 0 AEAEMO C1CC[C@@H](C[N@H+]2CCC23CCC3)OC1 336486107 166091955 /nfs/dbraw/zinc/09/19/55/166091955.db2.gz NRFFCQJGGVUQJL-NSHDSACASA-N 1 1 195.306 2.184 10 0 AEAEMO C1CC[N@@H+]2CCOC3(CCCC3)[C@@H]2C1 39112494 166092083 /nfs/dbraw/zinc/09/20/83/166092083.db2.gz SXUQESUGFUCHMX-NSHDSACASA-N 1 1 195.306 2.184 10 0 AEAEMO C1CCC[NH+]([C@H]2CCCCNC2)CC1 54134847 166092783 /nfs/dbraw/zinc/09/27/83/166092783.db2.gz UBOIOJGFXDFEOM-LBPRGKRZSA-N 1 1 196.338 2.005 10 0 AEAEMO C1CC[C@H](C[N@H+]2CCC23CCC3)OC1 336486106 166093013 /nfs/dbraw/zinc/09/30/13/166093013.db2.gz NRFFCQJGGVUQJL-LLVKDONJSA-N 1 1 195.306 2.184 10 0 AEAEMO C1CC[C@H]2CCC[N@@H+]2CC1 1728251 166093474 /nfs/dbraw/zinc/09/34/74/166093474.db2.gz UCAVZTHZDCOEFH-VIFPVBQESA-N 1 1 139.242 2.025 10 0 AEAEMO C1CCc2[nH+]c3c(n2CC1)CCC3 40539104 166094290 /nfs/dbraw/zinc/09/42/90/166094290.db2.gz QGJKFPOYCXUPOF-UHFFFAOYSA-N 1 1 176.263 2.098 10 0 AEAEMO C1CC[C@@H]2CCC[N@@H+]2CC1 5086339 166094305 /nfs/dbraw/zinc/09/43/05/166094305.db2.gz UCAVZTHZDCOEFH-SECBINFHSA-N 1 1 139.242 2.025 10 0 AEAEMO C1CC[C@H]2[C@@H]3CC[C@@H](C3)[N@H+]2CC1 39111777 166094731 /nfs/dbraw/zinc/09/47/31/166094731.db2.gz ZQHVTOKHBHSMJD-VWYCJHECSA-N 1 1 165.280 2.413 10 0 AEAEMO C1CC[C@@H]2[C@@H]3CC[C@@H](C3)[N@H+]2CC1 39111776 166095040 /nfs/dbraw/zinc/09/50/40/166095040.db2.gz ZQHVTOKHBHSMJD-OUAUKWLOSA-N 1 1 165.280 2.413 10 0 AEAEMO C1C[N@H+](C[C@H]2CCOC2)C2(C1)CCC2 335335379 166095429 /nfs/dbraw/zinc/09/54/29/166095429.db2.gz DBEXKUUQZPDPET-LLVKDONJSA-N 1 1 195.306 2.041 10 0 AEAEMO C1C[N@H+](CC2CC2)C2(C1)CCC2 306512848 166095857 /nfs/dbraw/zinc/09/58/57/166095857.db2.gz QVFQTGWSJFMLKL-UHFFFAOYSA-N 1 1 165.280 2.415 10 0 AEAEMO C1C[N@H+](C[C@@H]2CCOC2)C2(C1)CCC2 335335383 166096265 /nfs/dbraw/zinc/09/62/65/166096265.db2.gz DBEXKUUQZPDPET-NSHDSACASA-N 1 1 195.306 2.041 10 0 AEAEMO C1CO[C@H](C[N@H+]2CCCC23CCC3)C1 335311137 166099167 /nfs/dbraw/zinc/09/91/67/166099167.db2.gz XBXJMFZKDQMRPU-NSHDSACASA-N 1 1 195.306 2.184 10 0 AEAEMO C1CO[C@@H](CC[N@H+]2CCC23CCC3)C1 334626217 166099429 /nfs/dbraw/zinc/09/94/29/166099429.db2.gz ZZWYDCIULFZUDV-LLVKDONJSA-N 1 1 195.306 2.184 10 0 AEAEMO C1COC[C@H](C[N@H+]2CCC23CCC3)C1 336486062 166100249 /nfs/dbraw/zinc/10/02/49/166100249.db2.gz DZOGNRIYKRODGH-NSHDSACASA-N 1 1 195.306 2.041 10 0 AEAEMO C1CO[C@H](CC[N@H+]2CCC23CCC3)C1 334626218 166101246 /nfs/dbraw/zinc/10/12/46/166101246.db2.gz ZZWYDCIULFZUDV-NSHDSACASA-N 1 1 195.306 2.184 10 0 AEAEMO C1CO[C@@H](C[N@H+]2CCCC23CCC3)C1 334944760 166101329 /nfs/dbraw/zinc/10/13/29/166101329.db2.gz XBXJMFZKDQMRPU-LLVKDONJSA-N 1 1 195.306 2.184 10 0 AEAEMO C1COC[C@@H](C[N@H+]2CCC23CCC3)C1 336486061 166101993 /nfs/dbraw/zinc/10/19/93/166101993.db2.gz DZOGNRIYKRODGH-LLVKDONJSA-N 1 1 195.306 2.041 10 0 AEAEMO C1C[C@@H]2CC[C@@H]3CCC[N@H+]3[C@@H]2C1 39111803 166103838 /nfs/dbraw/zinc/10/38/38/166103838.db2.gz QJCOGOPRCZMFJB-OUAUKWLOSA-N 1 1 165.280 2.413 10 0 AEAEMO C1C[C@@H]2CC[C@H]3CCC[N@H+]3[C@@H]2C1 39111805 166104029 /nfs/dbraw/zinc/10/40/29/166104029.db2.gz QJCOGOPRCZMFJB-GMTAPVOTSA-N 1 1 165.280 2.413 10 0 AEAEMO C1C[C@@H]2[C@H]3CC[C@@H](CC[N@H+]2C1)C3 256447794 166106621 /nfs/dbraw/zinc/10/66/21/166106621.db2.gz UVJBHRCUQPKVPO-GARJFASQSA-N 1 1 165.280 2.271 10 0 AEAEMO C1C[C@H]2[C@H]3CC[C@@H](CC[N@H+]2C1)C3 256447791 166108792 /nfs/dbraw/zinc/10/87/92/166108792.db2.gz UVJBHRCUQPKVPO-DCAQKATOSA-N 1 1 165.280 2.271 10 0 AEAEMO CCC[N@H+]1CCc2c(N)csc2C1 132977847 343909578 /nfs/dbraw/zinc/90/95/78/343909578.db2.gz MIWCJNFTZCAAPH-UHFFFAOYSA-N 1 1 196.319 2.098 10 0 AEAEMO C=C=C1CCC[N@H+](C(C)C)C1 39103066 166150896 /nfs/dbraw/zinc/15/08/96/166150896.db2.gz GGSYGXREKKERLL-UHFFFAOYSA-N 1 1 151.253 2.202 10 0 AEAEMO C=C1c2ccccc2CC[N@@H+]1C 100065971 166151073 /nfs/dbraw/zinc/15/10/73/166151073.db2.gz NPAFTCBMITYZID-UHFFFAOYSA-N 1 1 159.232 2.145 10 0 AEAEMO C=CC1=CCC[N@H+](C(C)C)C1 39103056 166161997 /nfs/dbraw/zinc/16/19/97/166161997.db2.gz QPQCLWMDLSAYDS-UHFFFAOYSA-N 1 1 151.253 2.213 10 0 AEAEMO C=C[N@@H+](C)Cc1ccccc1 100517543 166210727 /nfs/dbraw/zinc/21/07/27/166210727.db2.gz QEHONTLIZRAESB-UHFFFAOYSA-N 1 1 147.221 2.262 10 0 AEAEMO C=Cc1cccn1[N@H+](C)c1ccncc1 13746018 166224574 /nfs/dbraw/zinc/22/45/74/166224574.db2.gz PMRGRIKEHLCIFM-UHFFFAOYSA-N 1 1 199.257 2.426 10 0 AEAEMO CC(=O)CC[N@H+](C)C1CCC(C)CC1 42209479 166241192 /nfs/dbraw/zinc/24/11/92/166241192.db2.gz ZYMIXKAQJYYSIW-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(=O)CC[N@@H+](CC1CC1)C(C)C 42587941 166241340 /nfs/dbraw/zinc/24/13/40/166241340.db2.gz KLNPYYBWHFLQCP-UHFFFAOYSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(=O)CC[N@H+](C)Cc1ccsc1 48484522 166241520 /nfs/dbraw/zinc/24/15/20/166241520.db2.gz RELRQQIPSWTSEX-UHFFFAOYSA-N 1 1 197.303 2.159 10 0 AEAEMO CC(=O)CC[N@@H+]1CCC[C@H](C)[C@H]1C 50565884 166241600 /nfs/dbraw/zinc/24/16/00/166241600.db2.gz MHQYSYOYEHGNRI-GXSJLCMTSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(=O)CC[N@H+](C)[C@@H](C)C(C)(C)C 42773923 166241895 /nfs/dbraw/zinc/24/18/95/166241895.db2.gz JJPKNXIQWQPMLR-JTQLQIEISA-N 1 1 185.311 2.332 10 0 AEAEMO CC(=O)CC[N@H+](C)[C@H](C)C(C)(C)C 42773927 166241925 /nfs/dbraw/zinc/24/19/25/166241925.db2.gz JJPKNXIQWQPMLR-SNVBAGLBSA-N 1 1 185.311 2.332 10 0 AEAEMO CC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1C 50565883 166241997 /nfs/dbraw/zinc/24/19/97/166241997.db2.gz MHQYSYOYEHGNRI-MWLCHTKSSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(=O)CC[N@H+](CC(C)C)C(C)C 42587635 166242018 /nfs/dbraw/zinc/24/20/18/166242018.db2.gz UCGCIJUETDUVTD-UHFFFAOYSA-N 1 1 185.311 2.332 10 0 AEAEMO CC(=O)CC[N@H+](C)[C@@H]1CCCC[C@@H]1C 42609114 166242043 /nfs/dbraw/zinc/24/20/43/166242043.db2.gz MYNDKUDOGOOCGX-CMPLNLGQSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(=O)CC[N@H+](C)[C@H]1CCCC[C@@H]1C 42609112 166242686 /nfs/dbraw/zinc/24/26/86/166242686.db2.gz MYNDKUDOGOOCGX-JQWIXIFHSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(=O)CC[N@H+](C)[C@@H](C)CC(C)C 42586456 166242696 /nfs/dbraw/zinc/24/26/96/166242696.db2.gz NEFJBYJYSLVMSO-JTQLQIEISA-N 1 1 185.311 2.332 10 0 AEAEMO CC(=O)CC[N@H+](C)[C@H](C)CC(C)C 42586453 166242720 /nfs/dbraw/zinc/24/27/20/166242720.db2.gz NEFJBYJYSLVMSO-SNVBAGLBSA-N 1 1 185.311 2.332 10 0 AEAEMO CC(=O)Cc1cc(C)[nH+]c(C)c1C 196579372 166247229 /nfs/dbraw/zinc/24/72/29/166247229.db2.gz YMSSARSMZKXEJY-UHFFFAOYSA-N 1 1 177.247 2.138 10 0 AEAEMO CC(=O)[C@@H](C)[N@H+](CC1CC1)C(C)C 42588010 166297282 /nfs/dbraw/zinc/29/72/82/166297282.db2.gz CWJNJOSPOIEUJQ-SECBINFHSA-N 1 1 183.295 2.084 10 0 AEAEMO CC(=O)[C@@H](C)[N@H+](C)Cc1cccs1 50133993 166297543 /nfs/dbraw/zinc/29/75/43/166297543.db2.gz MLPSARNALUDSHY-MRVPVSSYSA-N 1 1 197.303 2.157 10 0 AEAEMO CC(=O)[C@@H](C)[N@@H+](C)Cc1cccs1 50133993 166297545 /nfs/dbraw/zinc/29/75/45/166297545.db2.gz MLPSARNALUDSHY-MRVPVSSYSA-N 1 1 197.303 2.157 10 0 AEAEMO CC(=O)[C@@H](C)[N@@H+](C)C1CCC(C)CC1 42221465 166298248 /nfs/dbraw/zinc/29/82/48/166298248.db2.gz AGRQZMQRJPCFPV-SQLBVSGCSA-N 1 1 197.322 2.474 10 0 AEAEMO CC(=O)[C@@H](C)[N@@H+](CC(C)C)C(C)C 42587704 166298256 /nfs/dbraw/zinc/29/82/56/166298256.db2.gz RQQKTHWRAYDSPL-SNVBAGLBSA-N 1 1 185.311 2.330 10 0 AEAEMO CC(=O)[C@@H](C)[N@@H+](C)C1CCCCC1 35021235 166298785 /nfs/dbraw/zinc/29/87/85/166298785.db2.gz KSGGTTMDJYAQCF-SECBINFHSA-N 1 1 183.295 2.228 10 0 AEAEMO CC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)C(C)(C)C 42774069 166299285 /nfs/dbraw/zinc/29/92/85/166299285.db2.gz GTQJZFNQGWGQTO-SCZZXKLOSA-N 1 1 185.311 2.330 10 0 AEAEMO CC(=O)[C@@H](C)n1cc[nH+]c1C(C)C 37340451 166299314 /nfs/dbraw/zinc/29/93/14/166299314.db2.gz BZQGVLIYPCYJFF-MRVPVSSYSA-N 1 1 180.251 2.157 10 0 AEAEMO CC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 50132527 166305513 /nfs/dbraw/zinc/30/55/13/166305513.db2.gz XDVPXPYZHRMYBT-JTQLQIEISA-N 1 1 191.274 2.096 10 0 AEAEMO CC(=O)[C@H](C)[N@@H+](C)[C@@H](C)C(C)(C)C 42774065 166305544 /nfs/dbraw/zinc/30/55/44/166305544.db2.gz GTQJZFNQGWGQTO-WPRPVWTQSA-N 1 1 185.311 2.330 10 0 AEAEMO CC(=O)[C@H](C)[N@H+](C)Cc1cccs1 50133992 166305731 /nfs/dbraw/zinc/30/57/31/166305731.db2.gz MLPSARNALUDSHY-QMMMGPOBSA-N 1 1 197.303 2.157 10 0 AEAEMO CC(=O)[C@H](C)[N@@H+](C)Cc1cccs1 50133992 166305734 /nfs/dbraw/zinc/30/57/34/166305734.db2.gz MLPSARNALUDSHY-QMMMGPOBSA-N 1 1 197.303 2.157 10 0 AEAEMO CC(=O)[C@H](C)[N@H+](CC1CC1)C(C)C 42588007 166305926 /nfs/dbraw/zinc/30/59/26/166305926.db2.gz CWJNJOSPOIEUJQ-VIFPVBQESA-N 1 1 183.295 2.084 10 0 AEAEMO CC(=O)[C@H](C)n1cc[nH+]c1C(C)C 37340450 166306063 /nfs/dbraw/zinc/30/60/63/166306063.db2.gz BZQGVLIYPCYJFF-QMMMGPOBSA-N 1 1 180.251 2.157 10 0 AEAEMO CC(=O)[C@H](C)[N@H+](C)[C@@H](C)CC(C)C 42586559 166306196 /nfs/dbraw/zinc/30/61/96/166306196.db2.gz IXRRLABXPGTHAR-UWVGGRQHSA-N 1 1 185.311 2.330 10 0 AEAEMO CC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCC[C@@H]1C 42609164 166307075 /nfs/dbraw/zinc/30/70/75/166307075.db2.gz QMOUUCLEBOZQOB-JBLDHEPKSA-N 1 1 197.322 2.474 10 0 AEAEMO CC(=O)[C@H](C)[N@@H+](C)C1CCC(C)CC1 42221464 166307514 /nfs/dbraw/zinc/30/75/14/166307514.db2.gz AGRQZMQRJPCFPV-YZRBJQDESA-N 1 1 197.322 2.474 10 0 AEAEMO CC(=O)[C@H](C)[N@@H+](CC(C)C)C(C)C 42587701 166307523 /nfs/dbraw/zinc/30/75/23/166307523.db2.gz RQQKTHWRAYDSPL-JTQLQIEISA-N 1 1 185.311 2.330 10 0 AEAEMO CC(=O)[C@H](C)[N@@H+](C)C1CCCCC1 35021233 166307603 /nfs/dbraw/zinc/30/76/03/166307603.db2.gz KSGGTTMDJYAQCF-VIFPVBQESA-N 1 1 183.295 2.228 10 0 AEAEMO CC(=O)c1c[nH+]c2ccccc2c1N 39978689 166332491 /nfs/dbraw/zinc/33/24/91/166332491.db2.gz VDBGJWIWGDGFTF-UHFFFAOYSA-N 1 1 186.214 2.020 10 0 AEAEMO CC(C)(C)CC(C)(C)[N@H+]1CC[C@@H](N)C1 43435688 166347519 /nfs/dbraw/zinc/34/75/19/166347519.db2.gz NTORXBIKUNLMDN-SNVBAGLBSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)(C)CC(C)(C)[N@H+]1CC[C@H](N)C1 43435686 166349978 /nfs/dbraw/zinc/34/99/78/166349978.db2.gz NTORXBIKUNLMDN-JTQLQIEISA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)(C)CC[N@H+]1CCCC[C@@H]1CN 44387119 166351878 /nfs/dbraw/zinc/35/18/78/166351878.db2.gz LSMKDLIHIZMTSK-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)(C)CC[N@H+]1CCCC[C@H]1CN 44387122 166351918 /nfs/dbraw/zinc/35/19/18/166351918.db2.gz LSMKDLIHIZMTSK-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)(C)CNCC[NH2+]C1CCCC1 40495007 166353948 /nfs/dbraw/zinc/35/39/48/166353948.db2.gz SFSXHPABKPTIAY-UHFFFAOYSA-N 1 1 198.354 2.154 10 0 AEAEMO CC(C)(C)C[NH2+]CCNC1CCCC1 40495007 166353950 /nfs/dbraw/zinc/35/39/50/166353950.db2.gz SFSXHPABKPTIAY-UHFFFAOYSA-N 1 1 198.354 2.154 10 0 AEAEMO CC(C)(C)CNc1ccc(N)[nH+]c1 40494616 166354234 /nfs/dbraw/zinc/35/42/34/166354234.db2.gz MPJAHZDRVQZRPX-UHFFFAOYSA-N 1 1 179.267 2.122 10 0 AEAEMO CC(C)(C)CNc1ccc(N)c[nH+]1 40494656 166354754 /nfs/dbraw/zinc/35/47/54/166354754.db2.gz JSQBYBQNCDHLNI-UHFFFAOYSA-N 1 1 179.267 2.122 10 0 AEAEMO CC(C)(C)CNc1[nH+]cccc1N 40494648 166355222 /nfs/dbraw/zinc/35/52/22/166355222.db2.gz CLZXGUBPWYKSLE-UHFFFAOYSA-N 1 1 179.267 2.122 10 0 AEAEMO CC(C)(C)N1CC[N@H+](C(C)(C)C)C1 98091684 166358644 /nfs/dbraw/zinc/35/86/44/166358644.db2.gz BHFXTQGKKPQMHZ-UHFFFAOYSA-N 1 1 184.327 2.159 10 0 AEAEMO CC(C)(C)[N@H+]1Cc2cccc(N)c2C1 36683611 166358680 /nfs/dbraw/zinc/35/86/80/166358680.db2.gz OCCPFMSOQDSENB-UHFFFAOYSA-N 1 1 190.290 2.383 10 0 AEAEMO CC(C)(C)N1[C@H]2CCC[C@@H]1CC([NH3+])C2 54601568 166359181 /nfs/dbraw/zinc/35/91/81/166359181.db2.gz SSTXEVPWAPCTMU-FGWVZKOKSA-N 1 1 196.338 2.129 10 0 AEAEMO CC(C)(C)[N@H+]1Cc2ccc(N)cc2C1 36683610 166360727 /nfs/dbraw/zinc/36/07/27/166360727.db2.gz ARMVQOIYYGTHLP-UHFFFAOYSA-N 1 1 190.290 2.383 10 0 AEAEMO CC(C)(C)[N@H+]1[C@H]2CCC[C@@H]1CC(=O)C2 5352710 166361186 /nfs/dbraw/zinc/36/11/86/166361186.db2.gz UGFANJRQMBRULK-AOOOYVTPSA-N 1 1 195.306 2.371 10 0 AEAEMO CC(C)(C)[NH2+]CC1(N)CCCCC1 40398144 166362552 /nfs/dbraw/zinc/36/25/52/166362552.db2.gz BCFLIHOZFQFQCD-UHFFFAOYSA-N 1 1 184.327 2.036 10 0 AEAEMO CC(C)(C)Nc1[nH+]cnc2[nH]ccc12 82359078 166367358 /nfs/dbraw/zinc/36/73/58/166367358.db2.gz XLKPOHNRUKUJHJ-UHFFFAOYSA-N 1 1 190.250 2.168 10 0 AEAEMO CC(C)(C)[C@@H]1C[N@H+](C2CCC2)CCO1 336250221 166375628 /nfs/dbraw/zinc/37/56/28/166375628.db2.gz OSQDQUOCQHXCKY-NSHDSACASA-N 1 1 197.322 2.286 10 0 AEAEMO CC(C)(C)[C@@H](O)C[N@H+]1CCC12CCC2 335557952 166377216 /nfs/dbraw/zinc/37/72/16/166377216.db2.gz DCVXPTDAJOVGHT-JTQLQIEISA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)(C)[C@H](O)C[N@H+]1CCC12CCC2 335557953 166378048 /nfs/dbraw/zinc/37/80/48/166378048.db2.gz DCVXPTDAJOVGHT-SNVBAGLBSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)(C)c1[nH]nc2c1[C@H]([NH3+])CCC2 82825929 166380257 /nfs/dbraw/zinc/38/02/57/166380257.db2.gz XXIYBXYOKYBIOW-SSDOTTSWSA-N 1 1 193.294 2.043 10 0 AEAEMO CC(C)(C)[Si](C)(C)c1[nH]cc[nH+]1 195895052 166380622 /nfs/dbraw/zinc/38/06/22/166380622.db2.gz NVWWKEKYWKAYCQ-UHFFFAOYSA-N 1 1 182.343 2.125 10 0 AEAEMO CC(C)(C)c1[nH]nc2c1[C@@H]([NH3+])CCC2 82825928 166381570 /nfs/dbraw/zinc/38/15/70/166381570.db2.gz XXIYBXYOKYBIOW-ZETCQYMHSA-N 1 1 193.294 2.043 10 0 AEAEMO CC(C)(C)c1[nH]c2c(N)cccc2[nH+]1 36281872 166388711 /nfs/dbraw/zinc/38/87/11/166388711.db2.gz VKQOPDGKKJCMCE-UHFFFAOYSA-N 1 1 189.262 2.443 10 0 AEAEMO CC(C)(CN)C[NH+]1CCCCCCC1 51213962 166395027 /nfs/dbraw/zinc/39/50/27/166395027.db2.gz CUYKXQOCFJNJMS-UHFFFAOYSA-N 1 1 198.354 2.237 10 0 AEAEMO CC(C)=CC[N@H+](CCCO)C(C)C 50105326 166415888 /nfs/dbraw/zinc/41/58/88/166415888.db2.gz JZGRBRJIOHLUOU-UHFFFAOYSA-N 1 1 185.311 2.045 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)[C@@H](CN)C1CC1 42563471 166491207 /nfs/dbraw/zinc/49/12/07/166491207.db2.gz YXULVWBLTJUPBT-JQWIXIFHSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)Cc1ccc(C(=O)C[NH3+])cc1 36156675 166502403 /nfs/dbraw/zinc/50/24/03/166502403.db2.gz VHAKVBZXEIEAFE-UHFFFAOYSA-N 1 1 191.274 2.027 10 0 AEAEMO CC(C)[N@@H+](C)[C@]1(CN)CCC[C@H](C)C1 34679315 166509829 /nfs/dbraw/zinc/50/98/29/166509829.db2.gz OSUINVPGBNHHRV-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[N@@H+](CC1CC1)[C@@H]1CCC[C@@H]1O 42589533 166514957 /nfs/dbraw/zinc/51/49/57/166514957.db2.gz KKHOSFLAEFACQR-NEPJUHHUSA-N 1 1 197.322 2.020 10 0 AEAEMO CC1(C)CC[N@H+](C2CCC2)C1 306927509 166675972 /nfs/dbraw/zinc/67/59/72/166675972.db2.gz UKVGCKVVPYFZQF-UHFFFAOYSA-N 1 1 153.269 2.271 10 0 AEAEMO CC1(C[N@H+]2CC[C@@H](O)C2(C)C)CCC1 306737662 166703954 /nfs/dbraw/zinc/70/39/54/166703954.db2.gz ZHJFOKCSFWRVFN-SNVBAGLBSA-N 1 1 197.322 2.022 10 0 AEAEMO CC1=C(C)C[N@@H+](C[C@@H]2CCOC2)CC1 336462129 166712842 /nfs/dbraw/zinc/71/28/42/166712842.db2.gz AEKFHLYLHQOACX-LBPRGKRZSA-N 1 1 195.306 2.065 10 0 AEAEMO CC1CC([NH2+][C@H]2CCCCC[C@@H]2N)C1 335030412 166743851 /nfs/dbraw/zinc/74/38/51/166743851.db2.gz CRPWTDRJAQUXRP-QQFIATSDSA-N 1 1 196.338 2.035 10 0 AEAEMO CC1C[NH+](Cc2cccc(F)c2F)C1 336039204 166753482 /nfs/dbraw/zinc/75/34/82/166753482.db2.gz UDZBYLUYKAFJIZ-UHFFFAOYSA-N 1 1 197.228 2.417 10 0 AEAEMO CC1C[NH+](Cc2ccc(F)c(F)c2)C1 334268126 166753892 /nfs/dbraw/zinc/75/38/92/166753892.db2.gz BWILFTUAPYHOGX-UHFFFAOYSA-N 1 1 197.228 2.417 10 0 AEAEMO CCC(C)(C)c1nnc([C@H](C)[NH2+]C)o1 54404463 166785395 /nfs/dbraw/zinc/78/53/95/166785395.db2.gz FZPPQGGWFKNRFF-ZETCQYMHSA-N 1 1 197.282 2.038 10 0 AEAEMO CCC(CC)(CN)[N@H+]1CCC[C@@H](C)C1 19511553 166787604 /nfs/dbraw/zinc/78/76/04/166787604.db2.gz TUGKJCVCHLPJFB-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC(CC)C[N@@H+](CC)[C@@H](C)CN 42487572 166788024 /nfs/dbraw/zinc/78/80/24/166788024.db2.gz YFJCLWTZUXMTQQ-JTQLQIEISA-N 1 1 186.343 2.092 10 0 AEAEMO CCCC(CCC)[N@H+]1CCNC[C@@H]1C 71978854 166835935 /nfs/dbraw/zinc/83/59/35/166835935.db2.gz RZIYUURJBQUVHX-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCCNc1[nH+]cccc1N 20278622 166868945 /nfs/dbraw/zinc/86/89/45/166868945.db2.gz YBEZEKPJJUVIFM-UHFFFAOYSA-N 1 1 179.267 2.266 10 0 AEAEMO CCCCC[C@@H](C)[N@H+]1CC[C@@H](CO)C1 226206342 166870904 /nfs/dbraw/zinc/87/09/04/166870904.db2.gz FINYFXUHZCHWIA-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CCCC[N@@H+](C)[C@@](C)(CN)C(C)C 41042158 166881813 /nfs/dbraw/zinc/88/18/13/166881813.db2.gz MVMFEHFTADAXRY-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CCCC[N@@H+](CCC[C@H](C)O)C1CC1 45620127 166887089 /nfs/dbraw/zinc/88/70/89/166887089.db2.gz DOLRXKUESGHDQS-NSHDSACASA-N 1 1 199.338 2.412 10 0 AEAEMO CCCC[N@@H+]1C=CCC1 100227079 166889417 /nfs/dbraw/zinc/88/94/17/166889417.db2.gz VOIPRQWIMVVNIC-UHFFFAOYSA-N 1 1 125.215 2.006 10 0 AEAEMO CCCC[N@H+]1[C@@H](C)C[C@H]1C 306414808 166891491 /nfs/dbraw/zinc/89/14/91/166891491.db2.gz OXDDWPJYCKDDIJ-DTORHVGOSA-N 1 1 141.258 2.269 10 0 AEAEMO CCCC[C@@H](C)[NH2+]C[C@H](N)CCC 50890046 166913622 /nfs/dbraw/zinc/91/36/22/166913622.db2.gz DEQWBBAXQXKDFT-GHMZBOCLSA-N 1 1 186.343 2.282 10 0 AEAEMO CCCC[C@@H](CN)[N@@H+](CCC)C1CC1 41053119 166916502 /nfs/dbraw/zinc/91/65/02/166916502.db2.gz YSNVWOUSIYBSOJ-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@H](C[NH3+])N(CCC)C1CC1 41053119 166916504 /nfs/dbraw/zinc/91/65/04/166916504.db2.gz YSNVWOUSIYBSOJ-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@H](CC)c1nnc(C[NH3+])o1 50283456 166917924 /nfs/dbraw/zinc/91/79/24/166917924.db2.gz GHDZUFMEOVIPGY-MRVPVSSYSA-N 1 1 197.282 2.212 10 0 AEAEMO CCCC[C@H](N)C[NH2+]CC(C)(C)C 40495002 166925621 /nfs/dbraw/zinc/92/56/21/166925621.db2.gz XVWKHCBCRCGYAG-JTQLQIEISA-N 1 1 186.343 2.140 10 0 AEAEMO CCCC[C@H](CN)[N@@H+](C)[C@@H](C)CC 41053126 166927241 /nfs/dbraw/zinc/92/72/41/166927241.db2.gz JSVYPVRIIRHXDW-WDEREUQCSA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[C@H](CN)[N@H+]1CCCC[C@@H]1C 41053044 166927663 /nfs/dbraw/zinc/92/76/63/166927663.db2.gz IFFQDHDKIVIKPY-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[N@@H+](C)CC1(CO)CCCCC1 51292868 166942430 /nfs/dbraw/zinc/94/24/30/166942430.db2.gz YHXUKHNMJXRJDJ-UHFFFAOYSA-N 1 1 199.338 2.271 10 0 AEAEMO CCC[N@H+](C)c1ccc(N)c(C)c1 35278219 166944962 /nfs/dbraw/zinc/94/49/62/166944962.db2.gz NQCZRNDWIUMISF-UHFFFAOYSA-N 1 1 178.279 2.423 10 0 AEAEMO CCC[N@@H+](C)c1ccc(N)c(C)c1 35278219 166944966 /nfs/dbraw/zinc/94/49/66/166944966.db2.gz NQCZRNDWIUMISF-UHFFFAOYSA-N 1 1 178.279 2.423 10 0 AEAEMO CCC[N@@H+](C)[C@@H]1CCCCCC[C@@H]1O 44127441 166946337 /nfs/dbraw/zinc/94/63/37/166946337.db2.gz LKHGHQCCHIVPDG-NEPJUHHUSA-N 1 1 199.338 2.412 10 0 AEAEMO CCCNc1ccc(NCC)c[nH+]1 41626205 167005212 /nfs/dbraw/zinc/00/52/12/167005212.db2.gz GAKGXOQBAGDRBI-UHFFFAOYSA-N 1 1 179.267 2.335 10 0 AEAEMO CCCNc1cc(CC)[nH+]c(C)n1 50851335 167006232 /nfs/dbraw/zinc/00/62/32/167006232.db2.gz SPTAUYOKWUQHDM-UHFFFAOYSA-N 1 1 179.267 2.169 10 0 AEAEMO CCCNc1ccc(C)c[nH+]1 21036905 167007067 /nfs/dbraw/zinc/00/70/67/167007067.db2.gz OGDSYKWSLSWSLM-UHFFFAOYSA-N 1 1 150.225 2.212 10 0 AEAEMO CCCNc1[nH+]c2ccccc2n1C 70609085 167008674 /nfs/dbraw/zinc/00/86/74/167008674.db2.gz ZGBANMREHNIUAA-UHFFFAOYSA-N 1 1 189.262 2.395 10 0 AEAEMO CCCNc1[nH+]cccc1C 51040831 167009084 /nfs/dbraw/zinc/00/90/84/167009084.db2.gz CTBUSIAKNHSXOX-UHFFFAOYSA-N 1 1 150.225 2.212 10 0 AEAEMO CCCNc1nc(C)[nH+]c(C)c1CC 50849701 167009435 /nfs/dbraw/zinc/00/94/35/167009435.db2.gz GPPKYWFIWMLXBQ-UHFFFAOYSA-N 1 1 193.294 2.478 10 0 AEAEMO CCCSc1cc(N)cc[nH+]1 43569706 167023506 /nfs/dbraw/zinc/02/35/06/167023506.db2.gz WHRRFAQQVGOMDV-UHFFFAOYSA-N 1 1 168.265 2.166 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCCC[C@@H]1CN 49954065 167028581 /nfs/dbraw/zinc/02/85/81/167028581.db2.gz KHZMXQGNNCDAGQ-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@H](C)CN1CCCC[C@@H]1C[NH3+] 49954065 167028584 /nfs/dbraw/zinc/02/85/84/167028584.db2.gz KHZMXQGNNCDAGQ-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)C(C)(C)CN 51320197 167028857 /nfs/dbraw/zinc/02/88/57/167028857.db2.gz CCXHPIWMNIWAJR-SNVBAGLBSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](CCN)C(C)C 51297815 167028916 /nfs/dbraw/zinc/02/89/16/167028916.db2.gz SEPXELSQHGMSHZ-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@@H](C)C[NH2+]Cc1cn[nH]c1C 38011205 167029045 /nfs/dbraw/zinc/02/90/45/167029045.db2.gz HJLUQTOALUBWDB-SECBINFHSA-N 1 1 195.310 2.244 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](CCC)CCN 51297818 167030813 /nfs/dbraw/zinc/03/08/13/167030813.db2.gz NDYWVWPKJRDPFO-LLVKDONJSA-N 1 1 186.343 2.093 10 0 AEAEMO CCC[C@@H](C)CN1CCC[C@@H]1C[NH2+]C 51321011 167030894 /nfs/dbraw/zinc/03/08/94/167030894.db2.gz YSYXRTDYBHMGEM-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)CC(=O)CC 50179818 167031286 /nfs/dbraw/zinc/03/12/86/167031286.db2.gz WJGPTMLXBBDFQQ-SECBINFHSA-N 1 1 171.284 2.086 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCC[C@@H](O)CC1 306463151 167031408 /nfs/dbraw/zinc/03/14/08/167031408.db2.gz ICDRRFVSLVCQBL-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CC[C@H](F)C1 336262852 167031415 /nfs/dbraw/zinc/03/14/15/167031415.db2.gz GFVZSAJRMMZTHP-BDAKNGLRSA-N 1 1 159.248 2.219 10 0 AEAEMO CCC[C@@H](C)[N@H+](C)CC(C)(C)CN 51218084 167031475 /nfs/dbraw/zinc/03/14/75/167031475.db2.gz VSJVUTXMWKCVCH-SNVBAGLBSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)CC(C)(C)CN 51218084 167031476 /nfs/dbraw/zinc/03/14/76/167031476.db2.gz VSJVUTXMWKCVCH-SNVBAGLBSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@@H](C)[N@H+](C)[C@@H]1CCC[C@@H]1NC 43896260 167031521 /nfs/dbraw/zinc/03/15/21/167031521.db2.gz IBISBNWWMBUQDW-GRYCIOLGSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)[C@@H]1CCC[C@@H]1NC 43896260 167031523 /nfs/dbraw/zinc/03/15/23/167031523.db2.gz IBISBNWWMBUQDW-GRYCIOLGSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@@H](C)N(C)c1[nH+]cccc1N 37504919 167032142 /nfs/dbraw/zinc/03/21/42/167032142.db2.gz OYKLIKCINVBSQB-SECBINFHSA-N 1 1 193.294 2.289 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCC(=O)[C@H](C)C1 49693510 167032464 /nfs/dbraw/zinc/03/24/64/167032464.db2.gz HGIMIRASIMPTEP-NXEZZACHSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCC(=O)C[C@@H]1C 49708094 167032716 /nfs/dbraw/zinc/03/27/16/167032716.db2.gz XMMPBUBUZDPNMH-ZJUUUORDSA-N 1 1 183.295 2.228 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CC[C@@H](F)C1 336262855 167032842 /nfs/dbraw/zinc/03/28/42/167032842.db2.gz GFVZSAJRMMZTHP-RKDXNWHRSA-N 1 1 159.248 2.219 10 0 AEAEMO CCC[C@@H](C)N(C)c1ccc(N)[nH+]c1 36790134 167033018 /nfs/dbraw/zinc/03/30/18/167033018.db2.gz MIGHXUOWRVFZDT-SECBINFHSA-N 1 1 193.294 2.289 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCC[C@H](O)CC1 306463153 167033520 /nfs/dbraw/zinc/03/35/20/167033520.db2.gz ICDRRFVSLVCQBL-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCN[C@@H](CC)CC1 49661172 167033884 /nfs/dbraw/zinc/03/38/84/167033884.db2.gz MYLCFXSNDRGEKU-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H](C)N1CC[NH2+][C@@H](CC)CC1 49661172 167033888 /nfs/dbraw/zinc/03/38/88/167033888.db2.gz MYLCFXSNDRGEKU-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H](C)N(C)c1ccc(N)c[nH+]1 36790116 167033901 /nfs/dbraw/zinc/03/39/01/167033901.db2.gz NKXCKJIQVDJQMX-SECBINFHSA-N 1 1 193.294 2.289 10 0 AEAEMO CCC[C@@H](C)Nc1ccc(N)c[nH+]1 34939568 167035243 /nfs/dbraw/zinc/03/52/43/167035243.db2.gz ZASDPEQNMIXYOW-MRVPVSSYSA-N 1 1 179.267 2.264 10 0 AEAEMO CCC[C@@H](C)Nc1ccc(N)[nH+]c1 20382128 167036114 /nfs/dbraw/zinc/03/61/14/167036114.db2.gz VBBDESLZAYEPKW-MRVPVSSYSA-N 1 1 179.267 2.264 10 0 AEAEMO CCC[C@@H](C)Nc1[nH+]cccc1N 26516008 167036657 /nfs/dbraw/zinc/03/66/57/167036657.db2.gz KXODGBIHIHVAJB-MRVPVSSYSA-N 1 1 179.267 2.264 10 0 AEAEMO CCC[C@@H](C)[C@H](CN)[N@@H+](C)C(C)C 49952550 167037709 /nfs/dbraw/zinc/03/77/09/167037709.db2.gz LMOHFLXDBYXNIV-MNOVXSKESA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[C@@H](C)[C@H](CN)[N@@H+](C)CCC 49952734 167038652 /nfs/dbraw/zinc/03/86/52/167038652.db2.gz WBIGQGKNZNGHGM-MNOVXSKESA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@@H](C)[C@@H](CN)[N@@H+](C)C(C)C 49952548 167038938 /nfs/dbraw/zinc/03/89/38/167038938.db2.gz LMOHFLXDBYXNIV-GHMZBOCLSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[C@@H](C)[C@H](CN)[N@H+]1CCC[C@@H]1C 49952906 167038982 /nfs/dbraw/zinc/03/89/82/167038982.db2.gz UVOWIHKBFQNSRW-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H](C)c1nnc([C@H]([NH3+])CC)o1 61497255 167039006 /nfs/dbraw/zinc/03/90/06/167039006.db2.gz FBHOECUHTXFWMY-HTQZYQBOSA-N 1 1 197.282 2.383 10 0 AEAEMO CCC[C@@H](CC)[N@H+]1CCN[C@@H](C)CC1 50407934 167039017 /nfs/dbraw/zinc/03/90/17/167039017.db2.gz FQWXVENBOSUQCX-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H](C)[C@@H](CN)[N@H+]1CCC[C@@H]1C 49952904 167039060 /nfs/dbraw/zinc/03/90/60/167039060.db2.gz UVOWIHKBFQNSRW-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H](C)[C@H](CN)[N@@H+](CC)C1CC1 49952702 167039078 /nfs/dbraw/zinc/03/90/78/167039078.db2.gz ZPFZCBOZKGSPOU-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H](C)[C@H](C[NH3+])N(CC)C1CC1 49952702 167039081 /nfs/dbraw/zinc/03/90/81/167039081.db2.gz ZPFZCBOZKGSPOU-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H](C)[C@@H](CN)[N@@H+](C)CC1CC1 49952914 167039098 /nfs/dbraw/zinc/03/90/98/167039098.db2.gz RGFTYSKAYHULHV-ZYHUDNBSSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@@H](C)[C@@H](CN)[N@@H+](CC)C1CC1 49952700 167039370 /nfs/dbraw/zinc/03/93/70/167039370.db2.gz ZPFZCBOZKGSPOU-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H](C)[C@@H](C[NH3+])N(CC)C1CC1 49952700 167039372 /nfs/dbraw/zinc/03/93/72/167039372.db2.gz ZPFZCBOZKGSPOU-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H](C)c1nnc([C@@H]([NH3+])CC)o1 61497263 167039510 /nfs/dbraw/zinc/03/95/10/167039510.db2.gz FBHOECUHTXFWMY-SFYZADRCSA-N 1 1 197.282 2.383 10 0 AEAEMO CCC[C@@H](C)[C@@H](CN)[N@@H+](C)CCC 49952732 167039552 /nfs/dbraw/zinc/03/95/52/167039552.db2.gz WBIGQGKNZNGHGM-GHMZBOCLSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@@H](C)[C@H](CN)[N@@H+](C)CC1CC1 49952916 167039999 /nfs/dbraw/zinc/03/99/99/167039999.db2.gz RGFTYSKAYHULHV-PWSUYJOCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@@H](C)c1nnc(C[NH2+]CC)o1 50615628 167040043 /nfs/dbraw/zinc/04/00/43/167040043.db2.gz VNKRZZOCIHKICM-MRVPVSSYSA-N 1 1 197.282 2.083 10 0 AEAEMO CCC[C@@H](C[NH3+])N1CCC(CC)CC1 42446352 167041185 /nfs/dbraw/zinc/04/11/85/167041185.db2.gz CRRNNJVAXNKYIW-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@H](CN)[N@@H+](CC1CC1)C(C)C 42580455 167041249 /nfs/dbraw/zinc/04/12/49/167041249.db2.gz QMCKBTJVKIHZDU-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H](CN)[N@H+]1C[C@@H](C)C[C@@H](C)C1 22216502 167041462 /nfs/dbraw/zinc/04/14/62/167041462.db2.gz WBCZAOYGYAFCMJ-TUAOUCFPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@@H](CN)[N@@H+](C)CC(C)(C)C 45070385 167041583 /nfs/dbraw/zinc/04/15/83/167041583.db2.gz AOSHADNVCMCMNM-JTQLQIEISA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@@H](C[NH3+])N(C)CC(C)(C)C 45070385 167041584 /nfs/dbraw/zinc/04/15/84/167041584.db2.gz AOSHADNVCMCMNM-JTQLQIEISA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@@H](CN1CCC[C@@H]1CC)[NH2+]C 50185064 167041857 /nfs/dbraw/zinc/04/18/57/167041857.db2.gz DDKPELBZFWLOIW-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H](CN)[N@@H+](C)C1CCCCC1 22171700 167041941 /nfs/dbraw/zinc/04/19/41/167041941.db2.gz POSHVWDTZUWRTP-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@@H](CN)[N@@H+](CCC)CC1CC1 42229358 167042005 /nfs/dbraw/zinc/04/20/05/167042005.db2.gz MTYMXDLGMFLMCG-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@H](CN)[N@@H+](C)CCC(C)C 42456531 167042777 /nfs/dbraw/zinc/04/27/77/167042777.db2.gz LGKAJHNEGDHRDF-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@@H](C[NH3+])N(C)CCC(C)C 42456531 167042780 /nfs/dbraw/zinc/04/27/80/167042780.db2.gz LGKAJHNEGDHRDF-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@@H]([NH3+])CN1CCC(C)(C)CC1 61819446 167043559 /nfs/dbraw/zinc/04/35/59/167043559.db2.gz NPRHBUWDQBNVST-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@H]([NH3+])CN(C)CCC(C)C 42457908 167043913 /nfs/dbraw/zinc/04/39/13/167043913.db2.gz IFESUETXPCKXON-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@@H](N)C[N@H+](C)CCC(C)C 42457908 167043915 /nfs/dbraw/zinc/04/39/15/167043915.db2.gz IFESUETXPCKXON-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@@H](N)C[N@@H+](C)CCC(C)C 42457908 167043918 /nfs/dbraw/zinc/04/39/18/167043918.db2.gz IFESUETXPCKXON-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@@H](N)C[N@@H+](CC(C)C)C1CC1 42559938 167044248 /nfs/dbraw/zinc/04/42/48/167044248.db2.gz CHMRALHBSCGURS-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H]([NH3+])CN(CC(C)C)C1CC1 42559938 167044249 /nfs/dbraw/zinc/04/42/49/167044249.db2.gz CHMRALHBSCGURS-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H](N)C[N@@H+](CC1CC1)C(C)C 42593649 167044423 /nfs/dbraw/zinc/04/44/23/167044423.db2.gz ANCKKLCFOASPNK-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H]([NH3+])CN(CC1CC1)C(C)C 42593649 167044424 /nfs/dbraw/zinc/04/44/24/167044424.db2.gz ANCKKLCFOASPNK-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H]([NH3+])CN1CCC(CC)CC1 42447469 167044909 /nfs/dbraw/zinc/04/49/09/167044909.db2.gz JTMOIWNTSPZSQS-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@H](N)C[N@H+](C)CC(C)(C)C 45089699 167044954 /nfs/dbraw/zinc/04/49/54/167044954.db2.gz FFBCWCARAODZFZ-SNVBAGLBSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@@H](N)C[N@@H+](C)CC(C)(C)C 45089699 167044956 /nfs/dbraw/zinc/04/49/56/167044956.db2.gz FFBCWCARAODZFZ-SNVBAGLBSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@@H](N)C[N@@H+](CCC)CC1CC1 42491197 167044963 /nfs/dbraw/zinc/04/49/63/167044963.db2.gz OZALLLWMODWMMK-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@H]([NH3+])CN(CCC)CC1CC1 42491197 167044966 /nfs/dbraw/zinc/04/49/66/167044966.db2.gz OZALLLWMODWMMK-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@H](N)C[NH2+]C1(C)CCCCC1 45047270 167045191 /nfs/dbraw/zinc/04/51/91/167045191.db2.gz PURGXFYTNHIJDA-LLVKDONJSA-N 1 1 198.354 2.426 10 0 AEAEMO CCC[C@@H](N)[C@@H](CC)[N@@H+](C)C(C)C 19390567 167046501 /nfs/dbraw/zinc/04/65/01/167046501.db2.gz XIZFXUBFGJEECA-GHMZBOCLSA-N 1 1 186.343 2.233 10 0 AEAEMO CCC[C@@H]([NH3+])[C@@H](CC)N(C)C(C)C 19390567 167046503 /nfs/dbraw/zinc/04/65/03/167046503.db2.gz XIZFXUBFGJEECA-GHMZBOCLSA-N 1 1 186.343 2.233 10 0 AEAEMO CCC[C@@H]([NH3+])[C@H](CC)N1CCCCC1 19273746 167046598 /nfs/dbraw/zinc/04/65/98/167046598.db2.gz FEPBPXNGPOMACQ-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@@H]([NH3+])[C@@H](CC)N1CCCCC1 19273742 167047570 /nfs/dbraw/zinc/04/75/70/167047570.db2.gz FEPBPXNGPOMACQ-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@@H]([NH3+])[C@@H](CC)N(CC)CC 19262729 167047783 /nfs/dbraw/zinc/04/77/83/167047783.db2.gz ZCCQMMYLFSJOKI-GHMZBOCLSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@@H]([NH3+])c1nc(C(C)(C)C)no1 36830907 167048615 /nfs/dbraw/zinc/04/86/15/167048615.db2.gz NOMPJGCRPXBZRQ-SSDOTTSWSA-N 1 1 197.282 2.167 10 0 AEAEMO CCC[C@@H]([NH3+])[C@H](CC)N(CC)CC 19262733 167048728 /nfs/dbraw/zinc/04/87/28/167048728.db2.gz ZCCQMMYLFSJOKI-MNOVXSKESA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@@H](N)[C@H](CC)[N@@H+](C)C(C)C 19390573 167048739 /nfs/dbraw/zinc/04/87/39/167048739.db2.gz XIZFXUBFGJEECA-MNOVXSKESA-N 1 1 186.343 2.233 10 0 AEAEMO CCC[C@@H]([NH3+])[C@H](CC)N(C)C(C)C 19390573 167048741 /nfs/dbraw/zinc/04/87/41/167048741.db2.gz XIZFXUBFGJEECA-MNOVXSKESA-N 1 1 186.343 2.233 10 0 AEAEMO CCC[C@@H](O)[C@H](CC)[N@@H+](C)CCC 44127531 167049865 /nfs/dbraw/zinc/04/98/65/167049865.db2.gz SSQBROPZZNKPTA-WDEREUQCSA-N 1 1 187.327 2.268 10 0 AEAEMO CCC[C@@H](O)[C@H](CC)[N@@H+](C)C1CC1 44129357 167049873 /nfs/dbraw/zinc/04/98/73/167049873.db2.gz RNFJCSDNFJUGLA-WDEREUQCSA-N 1 1 185.311 2.020 10 0 AEAEMO CCC[C@@H](O)[C@H](CC)[N@@H+](CC)C1CC1 44127992 167049934 /nfs/dbraw/zinc/04/99/34/167049934.db2.gz QLTKFIIUMSNTDQ-NWDGAFQWSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[C@@H](O)[C@@H](CC)[N@@H+](CC)C1CC1 44127986 167050324 /nfs/dbraw/zinc/05/03/24/167050324.db2.gz QLTKFIIUMSNTDQ-VXGBXAGGSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[C@@H](O)[C@H](CC)[N@H+]1CCC[C@@H]1C 44113143 167050459 /nfs/dbraw/zinc/05/04/59/167050459.db2.gz XZYICERLDKTDOE-SDDRHHMPSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[C@@H](O)[C@@H](CC)[N@H+]1CCC[C@@H]1C 44113137 167050666 /nfs/dbraw/zinc/05/06/66/167050666.db2.gz XZYICERLDKTDOE-QJPTWQEYSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[C@@H](O)[C@@H](CC)[N@@H+](C)C(C)C 44119227 167050748 /nfs/dbraw/zinc/05/07/48/167050748.db2.gz KGWZZSCSQGXKSA-GHMZBOCLSA-N 1 1 187.327 2.266 10 0 AEAEMO CCC[C@@H](O)[C@@H](CC)[N@@H+](C)C1CC1 44129351 167050893 /nfs/dbraw/zinc/05/08/93/167050893.db2.gz RNFJCSDNFJUGLA-GHMZBOCLSA-N 1 1 185.311 2.020 10 0 AEAEMO CCC[C@@H](O)[C@@H](CC)[N@@H+](C)CCC 44127527 167050976 /nfs/dbraw/zinc/05/09/76/167050976.db2.gz SSQBROPZZNKPTA-GHMZBOCLSA-N 1 1 187.327 2.268 10 0 AEAEMO CCC[C@@H](O)[C@H](CC)[N@@H+](C)C(C)C 44119235 167051394 /nfs/dbraw/zinc/05/13/94/167051394.db2.gz KGWZZSCSQGXKSA-WDEREUQCSA-N 1 1 187.327 2.266 10 0 AEAEMO CCC[C@@H]1C[N@H+](C2CCC2)CCO1 307491632 167051925 /nfs/dbraw/zinc/05/19/25/167051925.db2.gz GKAJCHVNMQGUHZ-LLVKDONJSA-N 1 1 183.295 2.040 10 0 AEAEMO CCC[C@@H]1CC[N@@H+](CC)C1 39078873 167054132 /nfs/dbraw/zinc/05/41/32/167054132.db2.gz XSKSNYPSMXWBEG-SECBINFHSA-N 1 1 141.258 2.128 10 0 AEAEMO CCC[C@H]1Nc2ccccc2C[NH2+]1 90424106 167057272 /nfs/dbraw/zinc/05/72/72/167057272.db2.gz POJBLQHAZVJEOM-LLVKDONJSA-N 1 1 176.263 2.328 10 0 AEAEMO CCC[C@@](C)(CO)C[N@@H+](CC)C1CC1 51292793 167057585 /nfs/dbraw/zinc/05/75/85/167057585.db2.gz DMOXRJQJTCUMLQ-GFCCVEGCSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@@](C)(CN)[N@H+]1CCCC[C@@H]1C 19480128 167057680 /nfs/dbraw/zinc/05/76/80/167057680.db2.gz KWSFVNLNVITSLQ-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@@](C)(CN)C[N@@H+]1CCC[C@@H]1C 51205626 167057874 /nfs/dbraw/zinc/05/78/74/167057874.db2.gz XIFIDSVEYUTYDW-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@](C)(CN)C[N@H+]1CCC[C@@H]1C 51205626 167057878 /nfs/dbraw/zinc/05/78/78/167057878.db2.gz XIFIDSVEYUTYDW-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@](C)(CN)C[N@H+](C)CC1CC1 51249731 167058332 /nfs/dbraw/zinc/05/83/32/167058332.db2.gz HVWOKNQYVIMJTJ-LBPRGKRZSA-N 1 1 198.354 2.093 10 0 AEAEMO CCC[C@@](C)(CN)C[N@@H+](C)CC1CC1 51249731 167058333 /nfs/dbraw/zinc/05/83/33/167058333.db2.gz HVWOKNQYVIMJTJ-LBPRGKRZSA-N 1 1 198.354 2.093 10 0 AEAEMO CCC[C@@](C)(N)C[N@H+]1CCC[C@H](C)C1 37480810 167058641 /nfs/dbraw/zinc/05/86/41/167058641.db2.gz YSVSCFHTILZYDE-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@](C)([NH3+])CN1CCC[C@H](C)C1 37480810 167058643 /nfs/dbraw/zinc/05/86/43/167058643.db2.gz YSVSCFHTILZYDE-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@](C)([NH3+])CN1CCC(C)CC1 37480774 167059105 /nfs/dbraw/zinc/05/91/05/167059105.db2.gz PPZRNOPKPCRBMS-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@](C)(N)C[NH+]1CCC(C)CC1 37480774 167059109 /nfs/dbraw/zinc/05/91/09/167059109.db2.gz PPZRNOPKPCRBMS-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@](C)(CN)C[N@H+](CC)C1CC1 51215054 167059159 /nfs/dbraw/zinc/05/91/59/167059159.db2.gz BOFJIJJTXCOZPL-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@](C)(CN)C[N@@H+](CC)C1CC1 51215054 167059165 /nfs/dbraw/zinc/05/91/65/167059165.db2.gz BOFJIJJTXCOZPL-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@](C)(CN)[N@H+]1CCC[C@@H](C)C1 19512584 167059211 /nfs/dbraw/zinc/05/92/11/167059211.db2.gz OPLIBJLZISLYIM-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@](C)(CO)C[N@H+]1CCC[C@@H]1C 51291341 167059227 /nfs/dbraw/zinc/05/92/27/167059227.db2.gz PGJNFMBYZQWVEE-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@@](C)([NH3+])CN1CCCCCC1 37480814 167059289 /nfs/dbraw/zinc/05/92/89/167059289.db2.gz BSEZZYCXEKJAEL-GFCCVEGCSA-N 1 1 198.354 2.380 10 0 AEAEMO CCC[C@@](C)(CO)C[N@@H+](C)CC1CC1 51293957 167059391 /nfs/dbraw/zinc/05/93/91/167059391.db2.gz IZDUYHGOFBOBMC-GFCCVEGCSA-N 1 1 199.338 2.127 10 0 AEAEMO CCC[C@@](C)(CO)C[N@@H+](C)C(C)C 51291882 167059398 /nfs/dbraw/zinc/05/93/98/167059398.db2.gz JTYGOKPVIVOMDL-LLVKDONJSA-N 1 1 187.327 2.125 10 0 AEAEMO CCC[C@@](C)(CN)C[N@H+](C)C(C)C 51210901 167059407 /nfs/dbraw/zinc/05/94/07/167059407.db2.gz SSDSFZYTRHTOLI-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@@](C)(CN)C[N@@H+](C)C(C)C 51210901 167059408 /nfs/dbraw/zinc/05/94/08/167059408.db2.gz SSDSFZYTRHTOLI-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@@](C)(C[NH2+]C1CC1)CN(C)C 51214384 167060027 /nfs/dbraw/zinc/06/00/27/167060027.db2.gz QJUGRBBREUGZQB-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@](C)(CN)C[NH+]1CCCCC1 51211078 167060042 /nfs/dbraw/zinc/06/00/42/167060042.db2.gz RMYBMTKXTPQVJO-LBPRGKRZSA-N 1 1 198.354 2.237 10 0 AEAEMO CCC[C@@](C)(CN)[N@H+]1CCC[C@H](C)C1 34754760 167060072 /nfs/dbraw/zinc/06/00/72/167060072.db2.gz OPLIBJLZISLYIM-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@](C)(C[NH2+]C)CN(C)C1CC1 51215120 167060310 /nfs/dbraw/zinc/06/03/10/167060310.db2.gz MFUYBAIKBDCXJM-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@](C)(N)C[NH2+]CC(C)(C)C 40495005 167060376 /nfs/dbraw/zinc/06/03/76/167060376.db2.gz REENFBRVUREEMJ-LLVKDONJSA-N 1 1 186.343 2.140 10 0 AEAEMO CCC[C@@](C)(CN)C[NH+](CC)CC 51208559 167060411 /nfs/dbraw/zinc/06/04/11/167060411.db2.gz OJRHVQHYVXNSBJ-NSHDSACASA-N 1 1 186.343 2.093 10 0 AEAEMO CCC[C@@](C)(N)C[N@H+]1CCCC[C@@H]1C 37480790 167060515 /nfs/dbraw/zinc/06/05/15/167060515.db2.gz SMKKIESSCALMGE-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@@](C)([NH3+])CN1CCCC[C@@H]1C 37480790 167060519 /nfs/dbraw/zinc/06/05/19/167060519.db2.gz SMKKIESSCALMGE-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCCC[C@@H]1CN 49954066 167063223 /nfs/dbraw/zinc/06/32/23/167063223.db2.gz KHZMXQGNNCDAGQ-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H](C)CN1CCCC[C@@H]1C[NH3+] 49954066 167063224 /nfs/dbraw/zinc/06/32/24/167063224.db2.gz KHZMXQGNNCDAGQ-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H](C)C[NH2+]Cc1cn[nH]c1C 38011206 167063836 /nfs/dbraw/zinc/06/38/36/167063836.db2.gz HJLUQTOALUBWDB-VIFPVBQESA-N 1 1 195.310 2.244 10 0 AEAEMO CCC[C@H](C)C[N@@H+](CCC)CCN 51297820 167064131 /nfs/dbraw/zinc/06/41/31/167064131.db2.gz NDYWVWPKJRDPFO-NSHDSACASA-N 1 1 186.343 2.093 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)C(C)(C)CN 51320199 167064150 /nfs/dbraw/zinc/06/41/50/167064150.db2.gz CCXHPIWMNIWAJR-JTQLQIEISA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@H](C)C[N@@H+](CCN)C(C)C 51297817 167064584 /nfs/dbraw/zinc/06/45/84/167064584.db2.gz SEPXELSQHGMSHZ-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@H](C)CN1CCC[C@@H]1C[NH2+]C 51321013 167064808 /nfs/dbraw/zinc/06/48/08/167064808.db2.gz YSYXRTDYBHMGEM-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)N(C)c1ccc(N)c[nH+]1 36790117 167066084 /nfs/dbraw/zinc/06/60/84/167066084.db2.gz NKXCKJIQVDJQMX-VIFPVBQESA-N 1 1 193.294 2.289 10 0 AEAEMO CCC[C@H](C)N(C)c1[nH+]cccc1N 37504920 167066152 /nfs/dbraw/zinc/06/61/52/167066152.db2.gz OYKLIKCINVBSQB-VIFPVBQESA-N 1 1 193.294 2.289 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCC[C@H](O)CC1 306463154 167066189 /nfs/dbraw/zinc/06/61/89/167066189.db2.gz ICDRRFVSLVCQBL-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCC(=O)[C@H](C)C1 49693511 167066233 /nfs/dbraw/zinc/06/62/33/167066233.db2.gz HGIMIRASIMPTEP-ZJUUUORDSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC[C@H](C)[N@H+](C)[C@@H]1CCC[C@@H]1NC 43896262 167066497 /nfs/dbraw/zinc/06/64/97/167066497.db2.gz IBISBNWWMBUQDW-SDDRHHMPSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@@H]1NC 43896262 167066500 /nfs/dbraw/zinc/06/65/00/167066500.db2.gz IBISBNWWMBUQDW-SDDRHHMPSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@H](C)N(C)c1ccc(N)[nH+]c1 36790135 167066921 /nfs/dbraw/zinc/06/69/21/167066921.db2.gz MIGHXUOWRVFZDT-VIFPVBQESA-N 1 1 193.294 2.289 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCC(=O)C[C@@H]1C 49708096 167067159 /nfs/dbraw/zinc/06/71/59/167067159.db2.gz XMMPBUBUZDPNMH-UWVGGRQHSA-N 1 1 183.295 2.228 10 0 AEAEMO CCC[C@H](C)[N@H+](C)CC(C)(C)CN 51218085 167067867 /nfs/dbraw/zinc/06/78/67/167067867.db2.gz VSJVUTXMWKCVCH-JTQLQIEISA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)CC(C)(C)CN 51218085 167067870 /nfs/dbraw/zinc/06/78/70/167067870.db2.gz VSJVUTXMWKCVCH-JTQLQIEISA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCC[C@@H](O)CC1 306463155 167067988 /nfs/dbraw/zinc/06/79/88/167067988.db2.gz ICDRRFVSLVCQBL-WDEREUQCSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)CC(=O)CC 50179819 167068465 /nfs/dbraw/zinc/06/84/65/167068465.db2.gz WJGPTMLXBBDFQQ-VIFPVBQESA-N 1 1 171.284 2.086 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCN[C@@H](CC)CC1 49661173 167068629 /nfs/dbraw/zinc/06/86/29/167068629.db2.gz MYLCFXSNDRGEKU-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H](C)N1CC[NH2+][C@@H](CC)CC1 49661173 167068633 /nfs/dbraw/zinc/06/86/33/167068633.db2.gz MYLCFXSNDRGEKU-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@@H](F)C1 336262853 167068667 /nfs/dbraw/zinc/06/86/67/167068667.db2.gz GFVZSAJRMMZTHP-DTWKUNHWSA-N 1 1 159.248 2.219 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@H](F)C1 336262854 167069091 /nfs/dbraw/zinc/06/90/91/167069091.db2.gz GFVZSAJRMMZTHP-IUCAKERBSA-N 1 1 159.248 2.219 10 0 AEAEMO CCC[C@H](C)Nc1ccc(N)[nH+]c1 20382132 167069722 /nfs/dbraw/zinc/06/97/22/167069722.db2.gz VBBDESLZAYEPKW-QMMMGPOBSA-N 1 1 179.267 2.264 10 0 AEAEMO CCC[C@H](C)Nc1ccc(N)c[nH+]1 34939569 167071195 /nfs/dbraw/zinc/07/11/95/167071195.db2.gz ZASDPEQNMIXYOW-QMMMGPOBSA-N 1 1 179.267 2.264 10 0 AEAEMO CCC[C@H](C)[C@H](CN)[N@@H+](C)CC1CC1 49952917 167072253 /nfs/dbraw/zinc/07/22/53/167072253.db2.gz RGFTYSKAYHULHV-JQWIXIFHSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H](C)c1nnc([C@H]([NH3+])CC)o1 61497259 167072472 /nfs/dbraw/zinc/07/24/72/167072472.db2.gz FBHOECUHTXFWMY-JGVFFNPUSA-N 1 1 197.282 2.383 10 0 AEAEMO CCC[C@H](C)Nc1[nH+]cccc1N 26516010 167072611 /nfs/dbraw/zinc/07/26/11/167072611.db2.gz KXODGBIHIHVAJB-QMMMGPOBSA-N 1 1 179.267 2.264 10 0 AEAEMO CCC[C@H](C)c1nnc(C[NH2+]CC)o1 50615629 167072663 /nfs/dbraw/zinc/07/26/63/167072663.db2.gz VNKRZZOCIHKICM-QMMMGPOBSA-N 1 1 197.282 2.083 10 0 AEAEMO CCC[C@H](C)[C@H](CN)[N@H+]1CCC[C@@H]1C 49952907 167073326 /nfs/dbraw/zinc/07/33/26/167073326.db2.gz UVOWIHKBFQNSRW-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)[C@H](CN)[N@@H+](C)CCC 49952735 167073432 /nfs/dbraw/zinc/07/34/32/167073432.db2.gz WBIGQGKNZNGHGM-QWRGUYRKSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@H](C)[C@@H](CN)[N@@H+](CC)C1CC1 49952701 167073513 /nfs/dbraw/zinc/07/35/13/167073513.db2.gz ZPFZCBOZKGSPOU-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)[C@@H](C[NH3+])N(CC)C1CC1 49952701 167073515 /nfs/dbraw/zinc/07/35/15/167073515.db2.gz ZPFZCBOZKGSPOU-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)[C@H](CN)[N@@H+](C)C(C)C 49952551 167073527 /nfs/dbraw/zinc/07/35/27/167073527.db2.gz LMOHFLXDBYXNIV-QWRGUYRKSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[C@H](C)[C@H](CN)[N@@H+](CC)C1CC1 49952703 167073552 /nfs/dbraw/zinc/07/35/52/167073552.db2.gz ZPFZCBOZKGSPOU-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)[C@H](C[NH3+])N(CC)C1CC1 49952703 167073553 /nfs/dbraw/zinc/07/35/53/167073553.db2.gz ZPFZCBOZKGSPOU-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)[C@@H](CN)[N@@H+](C)CCC 49952733 167073564 /nfs/dbraw/zinc/07/35/64/167073564.db2.gz WBIGQGKNZNGHGM-WDEREUQCSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@H](C)c1nnc([C@@H]([NH3+])CC)o1 61497265 167074046 /nfs/dbraw/zinc/07/40/46/167074046.db2.gz FBHOECUHTXFWMY-YUMQZZPRSA-N 1 1 197.282 2.383 10 0 AEAEMO CCC[C@H](C)[C@@H](CN)[N@H+]1CCC[C@@H]1C 49952905 167074348 /nfs/dbraw/zinc/07/43/48/167074348.db2.gz UVOWIHKBFQNSRW-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)[C@@H](CN)[N@@H+](C)CC1CC1 49952915 167074504 /nfs/dbraw/zinc/07/45/04/167074504.db2.gz RGFTYSKAYHULHV-CMPLNLGQSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H](C)[C@@H](CN)[N@@H+](C)C(C)C 49952549 167074583 /nfs/dbraw/zinc/07/45/83/167074583.db2.gz LMOHFLXDBYXNIV-WDEREUQCSA-N 1 1 186.343 2.090 10 0 AEAEMO CCC[C@H](CN)[N@@H+](C)CC(C)(C)C 45070389 167075169 /nfs/dbraw/zinc/07/51/69/167075169.db2.gz AOSHADNVCMCMNM-SNVBAGLBSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@H](C[NH3+])N(C)CC(C)(C)C 45070389 167075172 /nfs/dbraw/zinc/07/51/72/167075172.db2.gz AOSHADNVCMCMNM-SNVBAGLBSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@H](CN)[N@@H+](C)CCC(C)C 42456533 167075637 /nfs/dbraw/zinc/07/56/37/167075637.db2.gz LGKAJHNEGDHRDF-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@H](C[NH3+])N(C)CCC(C)C 42456533 167075638 /nfs/dbraw/zinc/07/56/38/167075638.db2.gz LGKAJHNEGDHRDF-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@H](CC)[N@H+]1CCN[C@@H](C)CC1 50407937 167076797 /nfs/dbraw/zinc/07/67/97/167076797.db2.gz FQWXVENBOSUQCX-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H](CN)[N@@H+](C)C1CCCCC1 22171703 167076869 /nfs/dbraw/zinc/07/68/69/167076869.db2.gz POSHVWDTZUWRTP-GFCCVEGCSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@H](N)C[N@@H+](CC(C)C)C1CC1 42559935 167078389 /nfs/dbraw/zinc/07/83/89/167078389.db2.gz CHMRALHBSCGURS-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H]([NH3+])CN(CC(C)C)C1CC1 42559935 167078393 /nfs/dbraw/zinc/07/83/93/167078393.db2.gz CHMRALHBSCGURS-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](CN1CCC[C@@H]1CC)[NH2+]C 50185065 167078981 /nfs/dbraw/zinc/07/89/81/167078981.db2.gz DDKPELBZFWLOIW-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H](CN)[N@@H+](CCC)CC1CC1 42229361 167079603 /nfs/dbraw/zinc/07/96/03/167079603.db2.gz MTYMXDLGMFLMCG-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H](CN)[N@@H+](CC1CC1)C(C)C 42580458 167079758 /nfs/dbraw/zinc/07/97/58/167079758.db2.gz QMCKBTJVKIHZDU-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](N)C[N@H+](C)CC(C)(C)C 45089697 167079820 /nfs/dbraw/zinc/07/98/20/167079820.db2.gz FFBCWCARAODZFZ-JTQLQIEISA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@H](N)C[N@@H+](C)CC(C)(C)C 45089697 167079822 /nfs/dbraw/zinc/07/98/22/167079822.db2.gz FFBCWCARAODZFZ-JTQLQIEISA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@H](C[NH3+])N1CCC(CC)CC1 42446354 167079910 /nfs/dbraw/zinc/07/99/10/167079910.db2.gz CRRNNJVAXNKYIW-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H](CN)[N@H+]1C[C@@H](C)C[C@@H](C)C1 22216507 167079959 /nfs/dbraw/zinc/07/99/59/167079959.db2.gz WBCZAOYGYAFCMJ-GRYCIOLGSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H]([NH3+])CN(C)CCC(C)C 42457906 167080335 /nfs/dbraw/zinc/08/03/35/167080335.db2.gz IFESUETXPCKXON-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@H](N)C[N@H+](C)CCC(C)C 42457906 167080338 /nfs/dbraw/zinc/08/03/38/167080338.db2.gz IFESUETXPCKXON-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@H](N)C[N@@H+](C)CCC(C)C 42457906 167080343 /nfs/dbraw/zinc/08/03/43/167080343.db2.gz IFESUETXPCKXON-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@H](N)C[NH2+]C1(C)CCCCC1 45047269 167081200 /nfs/dbraw/zinc/08/12/00/167081200.db2.gz PURGXFYTNHIJDA-NSHDSACASA-N 1 1 198.354 2.426 10 0 AEAEMO CCC[C@H](N)C[N@@H+](CCC)CC1CC1 42491196 167081249 /nfs/dbraw/zinc/08/12/49/167081249.db2.gz OZALLLWMODWMMK-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H]([NH3+])CN(CCC)CC1CC1 42491196 167081251 /nfs/dbraw/zinc/08/12/51/167081251.db2.gz OZALLLWMODWMMK-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H]([NH3+])[C@H](CC)N(CC)CC 19262735 167081362 /nfs/dbraw/zinc/08/13/62/167081362.db2.gz ZCCQMMYLFSJOKI-QWRGUYRKSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@H]([NH3+])CN1CCC(CC)CC1 42447467 167081724 /nfs/dbraw/zinc/08/17/24/167081724.db2.gz JTMOIWNTSPZSQS-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H]([NH3+])CN1CCC(C)(C)CC1 61819445 167082071 /nfs/dbraw/zinc/08/20/71/167082071.db2.gz NPRHBUWDQBNVST-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H]([NH3+])[C@H](CC)N1CCCCC1 19273749 167082331 /nfs/dbraw/zinc/08/23/31/167082331.db2.gz FEPBPXNGPOMACQ-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@H](N)[C@@H](CC)[N@@H+](C)C(C)C 19390570 167082357 /nfs/dbraw/zinc/08/23/57/167082357.db2.gz XIZFXUBFGJEECA-WDEREUQCSA-N 1 1 186.343 2.233 10 0 AEAEMO CCC[C@H]([NH3+])[C@@H](CC)N(C)C(C)C 19390570 167082362 /nfs/dbraw/zinc/08/23/62/167082362.db2.gz XIZFXUBFGJEECA-WDEREUQCSA-N 1 1 186.343 2.233 10 0 AEAEMO CCC[C@H](N)[C@H](CC)[N@@H+](C)C(C)C 19390575 167082549 /nfs/dbraw/zinc/08/25/49/167082549.db2.gz XIZFXUBFGJEECA-QWRGUYRKSA-N 1 1 186.343 2.233 10 0 AEAEMO CCC[C@H]([NH3+])[C@H](CC)N(C)C(C)C 19390575 167082553 /nfs/dbraw/zinc/08/25/53/167082553.db2.gz XIZFXUBFGJEECA-QWRGUYRKSA-N 1 1 186.343 2.233 10 0 AEAEMO CCC[C@H](N)C[N@@H+](CC1CC1)C(C)C 42593646 167082667 /nfs/dbraw/zinc/08/26/67/167082667.db2.gz ANCKKLCFOASPNK-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H]([NH3+])CN(CC1CC1)C(C)C 42593646 167082669 /nfs/dbraw/zinc/08/26/69/167082669.db2.gz ANCKKLCFOASPNK-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H]([NH3+])[C@@H](CC)N(CC)CC 19262731 167082936 /nfs/dbraw/zinc/08/29/36/167082936.db2.gz ZCCQMMYLFSJOKI-WDEREUQCSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@H]([NH3+])c1nc(C(C)(C)C)no1 36830905 167083232 /nfs/dbraw/zinc/08/32/32/167083232.db2.gz NOMPJGCRPXBZRQ-ZETCQYMHSA-N 1 1 197.282 2.167 10 0 AEAEMO CCC[C@H]([NH3+])[C@@H](CC)N1CCCCC1 19273744 167083566 /nfs/dbraw/zinc/08/35/66/167083566.db2.gz FEPBPXNGPOMACQ-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@H](O)[C@H](CC)[N@@H+](C)C(C)C 44119231 167084440 /nfs/dbraw/zinc/08/44/40/167084440.db2.gz KGWZZSCSQGXKSA-QWRGUYRKSA-N 1 1 187.327 2.266 10 0 AEAEMO CCC[C@H](O)[C@@H](CC)[N@@H+](C)C1CC1 44129348 167084605 /nfs/dbraw/zinc/08/46/05/167084605.db2.gz RNFJCSDNFJUGLA-MNOVXSKESA-N 1 1 185.311 2.020 10 0 AEAEMO CCC[C@H](O)[C@H](CC)[N@@H+](CC)C1CC1 44127989 167084806 /nfs/dbraw/zinc/08/48/06/167084806.db2.gz QLTKFIIUMSNTDQ-RYUDHWBXSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[C@H](O)[C@H](CC)[N@@H+](C)C1CC1 44129354 167085626 /nfs/dbraw/zinc/08/56/26/167085626.db2.gz RNFJCSDNFJUGLA-QWRGUYRKSA-N 1 1 185.311 2.020 10 0 AEAEMO CCC[C@H](O)[C@@H](CC)[N@@H+](C)CCC 44127525 167085640 /nfs/dbraw/zinc/08/56/40/167085640.db2.gz SSQBROPZZNKPTA-MNOVXSKESA-N 1 1 187.327 2.268 10 0 AEAEMO CCC[C@H](O)[C@@H](CC)[N@@H+](CC)C1CC1 44127982 167085703 /nfs/dbraw/zinc/08/57/03/167085703.db2.gz QLTKFIIUMSNTDQ-NEPJUHHUSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[C@H](O)[C@@H](CC)[N@H+]1CCC[C@@H]1C 44113135 167085896 /nfs/dbraw/zinc/08/58/96/167085896.db2.gz XZYICERLDKTDOE-TUAOUCFPSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[C@H](O)[C@H](CC)[N@H+]1CCC[C@@H]1C 44113140 167085944 /nfs/dbraw/zinc/08/59/44/167085944.db2.gz XZYICERLDKTDOE-SRVKXCTJSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[C@H](O)[C@H](CC)[N@@H+](C)CCC 44127529 167086479 /nfs/dbraw/zinc/08/64/79/167086479.db2.gz SSQBROPZZNKPTA-QWRGUYRKSA-N 1 1 187.327 2.268 10 0 AEAEMO CCC[C@H](O)[C@@H](CC)[N@@H+](C)C(C)C 44119223 167086646 /nfs/dbraw/zinc/08/66/46/167086646.db2.gz KGWZZSCSQGXKSA-MNOVXSKESA-N 1 1 187.327 2.266 10 0 AEAEMO CCC[C@H]1CC[N@@H+](CC)C1 39078875 167089327 /nfs/dbraw/zinc/08/93/27/167089327.db2.gz XSKSNYPSMXWBEG-VIFPVBQESA-N 1 1 141.258 2.128 10 0 AEAEMO CCC[C@H]1C[N@H+](C2CCC2)CCO1 307491634 167090079 /nfs/dbraw/zinc/09/00/79/167090079.db2.gz GKAJCHVNMQGUHZ-NSHDSACASA-N 1 1 183.295 2.040 10 0 AEAEMO CCC[C@@H]1Nc2ccccc2C[NH2+]1 90424108 167091310 /nfs/dbraw/zinc/09/13/10/167091310.db2.gz POJBLQHAZVJEOM-NSHDSACASA-N 1 1 176.263 2.328 10 0 AEAEMO CCC[C@](C)(CN)C[N@@H+]1CCC[C@@H]1C 51205629 167092166 /nfs/dbraw/zinc/09/21/66/167092166.db2.gz XIFIDSVEYUTYDW-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@](C)(CN)C[N@H+]1CCC[C@@H]1C 51205629 167092168 /nfs/dbraw/zinc/09/21/68/167092168.db2.gz XIFIDSVEYUTYDW-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@](C)(CO)C[N@@H+](CC)C1CC1 51292791 167092268 /nfs/dbraw/zinc/09/22/68/167092268.db2.gz DMOXRJQJTCUMLQ-LBPRGKRZSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@](C)(CN)C[N@H+](C)C(C)C 51210903 167092380 /nfs/dbraw/zinc/09/23/80/167092380.db2.gz SSDSFZYTRHTOLI-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@](C)(CN)C[N@@H+](C)C(C)C 51210903 167092386 /nfs/dbraw/zinc/09/23/86/167092386.db2.gz SSDSFZYTRHTOLI-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CCC[C@](C)(CO)C[N@@H+](C)C(C)C 51291880 167092497 /nfs/dbraw/zinc/09/24/97/167092497.db2.gz JTYGOKPVIVOMDL-NSHDSACASA-N 1 1 187.327 2.125 10 0 AEAEMO CCC[C@](C)(N)C[N@H+]1CCCC[C@@H]1C 37480789 167092669 /nfs/dbraw/zinc/09/26/69/167092669.db2.gz SMKKIESSCALMGE-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@](C)([NH3+])CN1CCCC[C@@H]1C 37480789 167092670 /nfs/dbraw/zinc/09/26/70/167092670.db2.gz SMKKIESSCALMGE-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@](C)(CN)C[NH+](CC)CC 51208562 167092686 /nfs/dbraw/zinc/09/26/86/167092686.db2.gz OJRHVQHYVXNSBJ-LLVKDONJSA-N 1 1 186.343 2.093 10 0 AEAEMO CCC[C@](C)(CN)[N@H+]1CCCC[C@@H]1C 19480130 167093062 /nfs/dbraw/zinc/09/30/62/167093062.db2.gz KWSFVNLNVITSLQ-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@](C)(CN)C[NH+]1CCCCC1 51211080 167093688 /nfs/dbraw/zinc/09/36/88/167093688.db2.gz RMYBMTKXTPQVJO-GFCCVEGCSA-N 1 1 198.354 2.237 10 0 AEAEMO CCC[C@](C)(CO)C[N@H+]1CCC[C@@H]1C 51291339 167093754 /nfs/dbraw/zinc/09/37/54/167093754.db2.gz PGJNFMBYZQWVEE-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@](C)(N)C[N@H+]1CCC[C@H](C)C1 37480809 167093775 /nfs/dbraw/zinc/09/37/75/167093775.db2.gz YSVSCFHTILZYDE-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@](C)([NH3+])CN1CCC[C@H](C)C1 37480809 167093776 /nfs/dbraw/zinc/09/37/76/167093776.db2.gz YSVSCFHTILZYDE-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@](C)(CN)C[N@H+](CC)C1CC1 51215055 167093786 /nfs/dbraw/zinc/09/37/86/167093786.db2.gz BOFJIJJTXCOZPL-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@](C)(CN)C[N@@H+](CC)C1CC1 51215055 167093787 /nfs/dbraw/zinc/09/37/87/167093787.db2.gz BOFJIJJTXCOZPL-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@](C)(CO)C[N@@H+](C)CC1CC1 51293956 167093839 /nfs/dbraw/zinc/09/38/39/167093839.db2.gz IZDUYHGOFBOBMC-LBPRGKRZSA-N 1 1 199.338 2.127 10 0 AEAEMO CCC[C@](C)([NH3+])CN1CCCCCC1 37480813 167094071 /nfs/dbraw/zinc/09/40/71/167094071.db2.gz BSEZZYCXEKJAEL-LBPRGKRZSA-N 1 1 198.354 2.380 10 0 AEAEMO CCC[C@](C)([NH3+])CN1CCC(C)CC1 37480773 167094244 /nfs/dbraw/zinc/09/42/44/167094244.db2.gz PPZRNOPKPCRBMS-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@](C)(N)C[NH+]1CCC(C)CC1 37480773 167094247 /nfs/dbraw/zinc/09/42/47/167094247.db2.gz PPZRNOPKPCRBMS-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@](C)(C[NH2+]C)CN(C)C1CC1 51215121 167094345 /nfs/dbraw/zinc/09/43/45/167094345.db2.gz MFUYBAIKBDCXJM-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@](C)(C[NH2+]C1CC1)CN(C)C 51214385 167094357 /nfs/dbraw/zinc/09/43/57/167094357.db2.gz QJUGRBBREUGZQB-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@](C)(CN)[N@H+]1CCC[C@@H](C)C1 19512586 167094394 /nfs/dbraw/zinc/09/43/94/167094394.db2.gz OPLIBJLZISLYIM-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@](C)(CN)C[N@H+](C)CC1CC1 51249732 167094797 /nfs/dbraw/zinc/09/47/97/167094797.db2.gz HVWOKNQYVIMJTJ-GFCCVEGCSA-N 1 1 198.354 2.093 10 0 AEAEMO CCC[C@](C)(CN)C[N@@H+](C)CC1CC1 51249732 167094798 /nfs/dbraw/zinc/09/47/98/167094798.db2.gz HVWOKNQYVIMJTJ-GFCCVEGCSA-N 1 1 198.354 2.093 10 0 AEAEMO CCC[C@](C)(N)C[NH2+]CC(C)(C)C 40495004 167094926 /nfs/dbraw/zinc/09/49/26/167094926.db2.gz REENFBRVUREEMJ-NSHDSACASA-N 1 1 186.343 2.140 10 0 AEAEMO CCC[C@](C)(CN)[N@H+]1CCC[C@H](C)C1 34754761 167095003 /nfs/dbraw/zinc/09/50/03/167095003.db2.gz OPLIBJLZISLYIM-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO C[N@H+]1CCC[C@](O)(CC2CCCC2)C1 134131239 343934754 /nfs/dbraw/zinc/93/47/54/343934754.db2.gz CJMLNSLDNKZQAH-LBPRGKRZSA-N 1 1 197.322 2.023 10 0 AEAEMO CCCc1cc(NCC)nc(C)[nH+]1 50850092 167101676 /nfs/dbraw/zinc/10/16/76/167101676.db2.gz CUGDQMDXHBTJID-UHFFFAOYSA-N 1 1 179.267 2.169 10 0 AEAEMO CCCN[C@H](C[NH3+])c1ccc(C)s1 50270636 167002782 /nfs/dbraw/zinc/00/27/82/167002782.db2.gz BYQQPWGBUJURFL-SECBINFHSA-N 1 1 198.335 2.056 10 0 AEAEMO CCCc1c[nH+]cn1CC1CC1 13580724 167107445 /nfs/dbraw/zinc/10/74/45/167107445.db2.gz VLXHLSJQSVWHEE-UHFFFAOYSA-N 1 1 164.252 2.246 10 0 AEAEMO CCCc1ccc2oc(C[NH3+])nc2c1 62520730 167107939 /nfs/dbraw/zinc/10/79/39/167107939.db2.gz VVEZNWANZKIESU-UHFFFAOYSA-N 1 1 190.246 2.239 10 0 AEAEMO CCCc1nc([C@@H]([NH3+])C(C)(C)C)no1 41051919 167110121 /nfs/dbraw/zinc/11/01/21/167110121.db2.gz YGKQVSTVDRQRIO-MRVPVSSYSA-N 1 1 197.282 2.068 10 0 AEAEMO CCCc1[nH]c2c(N)cccc2[nH+]1 36281866 167112164 /nfs/dbraw/zinc/11/21/64/167112164.db2.gz POMAPWKXZDIJRT-UHFFFAOYSA-N 1 1 175.235 2.098 10 0 AEAEMO CCCc1[nH]c[nH+]c1CCC 81135728 167112363 /nfs/dbraw/zinc/11/23/63/167112363.db2.gz NYBUEQZKBJIDFL-UHFFFAOYSA-N 1 1 152.241 2.315 10 0 AEAEMO CCCc1nc([C@H]([NH3+])C(C)(C)C)no1 41051918 167113605 /nfs/dbraw/zinc/11/36/05/167113605.db2.gz YGKQVSTVDRQRIO-QMMMGPOBSA-N 1 1 197.282 2.068 10 0 AEAEMO CCCc1noc([C@@H]([NH3+])[C@H](C)CC)n1 36915755 167114364 /nfs/dbraw/zinc/11/43/64/167114364.db2.gz XXUULFGSDZDUPZ-APPZFPTMSA-N 1 1 197.282 2.068 10 0 AEAEMO CCCc1noc([C@@H]([NH3+])[C@@H](C)CC)n1 36915753 167114557 /nfs/dbraw/zinc/11/45/57/167114557.db2.gz XXUULFGSDZDUPZ-CBAPKCEASA-N 1 1 197.282 2.068 10 0 AEAEMO CCCc1noc([C@H]([NH3+])[C@H](C)CC)n1 36915754 167114595 /nfs/dbraw/zinc/11/45/95/167114595.db2.gz XXUULFGSDZDUPZ-VXNVDRBHSA-N 1 1 197.282 2.068 10 0 AEAEMO CCCc1noc([C@@H]([NH3+])CC(C)C)n1 36915778 167114764 /nfs/dbraw/zinc/11/47/64/167114764.db2.gz DKKSIBFJXKWEGM-QMMMGPOBSA-N 1 1 197.282 2.068 10 0 AEAEMO CCCc1noc([C@H]([NH3+])CC(C)C)n1 36915777 167115062 /nfs/dbraw/zinc/11/50/62/167115062.db2.gz DKKSIBFJXKWEGM-MRVPVSSYSA-N 1 1 197.282 2.068 10 0 AEAEMO CCCc1noc([C@H]([NH3+])C(C)(C)C)n1 36915784 167115815 /nfs/dbraw/zinc/11/58/15/167115815.db2.gz QXUUBUXWZJPNIM-QMMMGPOBSA-N 1 1 197.282 2.068 10 0 AEAEMO CCCc1noc([C@@H]([NH3+])C(C)(C)C)n1 36915785 167115882 /nfs/dbraw/zinc/11/58/82/167115882.db2.gz QXUUBUXWZJPNIM-MRVPVSSYSA-N 1 1 197.282 2.068 10 0 AEAEMO CCCc1noc([C@H]([NH3+])[C@@H](C)CC)n1 36915752 167116606 /nfs/dbraw/zinc/11/66/06/167116606.db2.gz XXUULFGSDZDUPZ-IONNQARKSA-N 1 1 197.282 2.068 10 0 AEAEMO CCCn1c(NC)[nH+]c2ccccc21 45238413 167119424 /nfs/dbraw/zinc/11/94/24/167119424.db2.gz MCJPERWPGHTNRP-UHFFFAOYSA-N 1 1 189.262 2.488 10 0 AEAEMO CC[N@@H+](C(C)C)[C@H]1CCCCC[C@@H]1O 44128186 167129271 /nfs/dbraw/zinc/12/92/71/167129271.db2.gz WGZXIYAOCFZWTA-RYUDHWBXSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[N@@H+](C(C)C)[C@H]1CCCC[C@@H]1C[NH3+] 37159291 167129554 /nfs/dbraw/zinc/12/95/54/167129554.db2.gz VWHOTIOJUNTJHQ-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](C(C)C)[C@@](C)(CN)C(C)C 41053600 167131089 /nfs/dbraw/zinc/13/10/89/167131089.db2.gz SLPRICVKFDRWIO-NSHDSACASA-N 1 1 186.343 2.090 10 0 AEAEMO CC[N@@H+](C(C)C)[C@H]1CCCC[C@@H]1O 37693869 167131331 /nfs/dbraw/zinc/13/13/31/167131331.db2.gz ZQYREZMIJXFDEI-QWRGUYRKSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[N@@H+](C(C)C)[C@@H]1CCCC[C@@H]1O 37693868 167131351 /nfs/dbraw/zinc/13/13/51/167131351.db2.gz ZQYREZMIJXFDEI-MNOVXSKESA-N 1 1 185.311 2.020 10 0 AEAEMO CC[N@@H+](C(C)C)[C@](C)(CN)C(C)C 41053601 167131382 /nfs/dbraw/zinc/13/13/82/167131382.db2.gz SLPRICVKFDRWIO-LLVKDONJSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[N@@H+](C(C)C)[C@@H]1CCCC[C@@H]1C[NH3+] 37159289 167131419 /nfs/dbraw/zinc/13/14/19/167131419.db2.gz VWHOTIOJUNTJHQ-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@H+](C(C)C)[C@@H]1CCCC[C@@H]1NC 43824237 167131444 /nfs/dbraw/zinc/13/14/44/167131444.db2.gz DGNQPMPZYSNEIL-NWDGAFQWSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[N@@H+](C(C)C)C1(CN)CCCCC1 37081951 167131462 /nfs/dbraw/zinc/13/14/62/167131462.db2.gz KZWMGDKIHPNXAZ-UHFFFAOYSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[N@H+](C(C)C)[C@H]1CCCC[C@@H]1NC 43824240 167131740 /nfs/dbraw/zinc/13/17/40/167131740.db2.gz DGNQPMPZYSNEIL-RYUDHWBXSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[N@@H+](C(C)C)[C@@H]1CCCCC[C@@H]1O 44128184 167132083 /nfs/dbraw/zinc/13/20/83/167132083.db2.gz WGZXIYAOCFZWTA-NEPJUHHUSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[N@@H+](C)C1(CN)CCCCCCC1 37078499 167139485 /nfs/dbraw/zinc/13/94/85/167139485.db2.gz KJTOBSDIZJEVOO-UHFFFAOYSA-N 1 1 198.354 2.380 10 0 AEAEMO CC[N@@H+](C)CCC(=O)c1ccccc1 22114128 167140185 /nfs/dbraw/zinc/14/01/85/167140185.db2.gz CPEZKEHLXPBCQY-UHFFFAOYSA-N 1 1 191.274 2.211 10 0 AEAEMO CC[N@@H+](C)CC1(C)CCC1 306688588 167141136 /nfs/dbraw/zinc/14/11/36/167141136.db2.gz JSLZTEWMEOAJNS-UHFFFAOYSA-N 1 1 141.258 2.128 10 0 AEAEMO CC[N@H+](C)Cc1cccc(O)c1Cl 307169390 167143530 /nfs/dbraw/zinc/14/35/30/167143530.db2.gz YAWYVEMAVPIJMF-UHFFFAOYSA-N 1 1 199.681 2.497 10 0 AEAEMO CC[N@@H+](C)Cc1cccc(O)c1Cl 307169390 167143531 /nfs/dbraw/zinc/14/35/31/167143531.db2.gz YAWYVEMAVPIJMF-UHFFFAOYSA-N 1 1 199.681 2.497 10 0 AEAEMO CC[N@@H+](C)Cc1ccc2c[nH]nc2c1 334360005 167143753 /nfs/dbraw/zinc/14/37/53/167143753.db2.gz XWMABWBLDXPVJE-UHFFFAOYSA-N 1 1 189.262 2.015 10 0 AEAEMO CC[N@@H+](C)Cc1ccc(C)c(N)c1 37079000 167143868 /nfs/dbraw/zinc/14/38/68/167143868.db2.gz HPFPJHHCKKCKON-UHFFFAOYSA-N 1 1 178.279 2.029 10 0 AEAEMO CC[N@H+](C)[C@@H](c1ccccc1)[C@@H](C)N 42901056 167144008 /nfs/dbraw/zinc/14/40/08/167144008.db2.gz DHRZWOVMFJGDBK-ZYHUDNBSSA-N 1 1 192.306 2.027 10 0 AEAEMO CC[N@@H+](C)[C@@H](c1ccccc1)[C@@H](C)N 42901056 167144012 /nfs/dbraw/zinc/14/40/12/167144012.db2.gz DHRZWOVMFJGDBK-ZYHUDNBSSA-N 1 1 192.306 2.027 10 0 AEAEMO CC[N@H+](C)[C@@H](CN)c1sccc1C 37078412 167144312 /nfs/dbraw/zinc/14/43/12/167144312.db2.gz KUVHVCSZRGSWKD-VIFPVBQESA-N 1 1 198.335 2.008 10 0 AEAEMO CC[N@@H+](C)[C@@H](CN)c1sccc1C 37078412 167144314 /nfs/dbraw/zinc/14/43/14/167144314.db2.gz KUVHVCSZRGSWKD-VIFPVBQESA-N 1 1 198.335 2.008 10 0 AEAEMO CC[N@@H+](C)[C@@H]1CCCCCC[C@@H]1O 44127677 167144346 /nfs/dbraw/zinc/14/43/46/167144346.db2.gz RRDVMXHNRBRPDL-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO CC[N@@H+](C)C[C@H]1CC=CCC1 306458937 167144544 /nfs/dbraw/zinc/14/45/44/167144544.db2.gz FZUGXVSRTHYIHF-JTQLQIEISA-N 1 1 153.269 2.294 10 0 AEAEMO CC[N@@H+](C)Cc1cccc2c1NCC2 130477617 167144571 /nfs/dbraw/zinc/14/45/71/167144571.db2.gz ZTAVVSNMZDDLTC-UHFFFAOYSA-N 1 1 190.290 2.106 10 0 AEAEMO CC[N@@H+](C)Cc1ccc(Cl)o1 306618054 167145001 /nfs/dbraw/zinc/14/50/01/167145001.db2.gz RTGRVPMPAUNWHQ-UHFFFAOYSA-N 1 1 173.643 2.385 10 0 AEAEMO CC[N@@H+](C)Cc1cc2cccnc2o1 336228420 167145314 /nfs/dbraw/zinc/14/53/14/167145314.db2.gz LUZMPOXGNZLIPK-UHFFFAOYSA-N 1 1 190.246 2.280 10 0 AEAEMO CC[N@@H+](C)[C@@H](C)c1cccc(N)c1 40908112 167145543 /nfs/dbraw/zinc/14/55/43/167145543.db2.gz OCMNVNWOWDIXPK-VIFPVBQESA-N 1 1 178.279 2.282 10 0 AEAEMO CC[N@@H+](C)Cc1cccc(N)c1C 35649113 167145778 /nfs/dbraw/zinc/14/57/78/167145778.db2.gz CHOCTKZWRUZQQA-UHFFFAOYSA-N 1 1 178.279 2.029 10 0 AEAEMO CC[N@@H+](C)Cc1ccc(Cl)cc1N 50442886 167145883 /nfs/dbraw/zinc/14/58/83/167145883.db2.gz VJESHNXNZIFZIE-UHFFFAOYSA-N 1 1 198.697 2.374 10 0 AEAEMO CC[N@@H+](C)Cc1cccc2c[nH]nc12 334330391 167146021 /nfs/dbraw/zinc/14/60/21/167146021.db2.gz KKBSEKUEBMWAHI-UHFFFAOYSA-N 1 1 189.262 2.015 10 0 AEAEMO CC[N@@H+](C)C[C@@H]1CC=CCC1 306458941 167146044 /nfs/dbraw/zinc/14/60/44/167146044.db2.gz FZUGXVSRTHYIHF-SNVBAGLBSA-N 1 1 153.269 2.294 10 0 AEAEMO CC[N@H+](C)[C@@H](c1cccs1)[C@@H](C)N 43103303 167146104 /nfs/dbraw/zinc/14/61/04/167146104.db2.gz PKWSGKPKGPBULE-PSASIEDQSA-N 1 1 198.335 2.088 10 0 AEAEMO CC[N@@H+](C)[C@@H](c1cccs1)[C@@H](C)N 43103303 167146108 /nfs/dbraw/zinc/14/61/08/167146108.db2.gz PKWSGKPKGPBULE-PSASIEDQSA-N 1 1 198.335 2.088 10 0 AEAEMO CC[N@@H+](C)Cc1cc(C)c(O)c(C)c1 132549529 167146187 /nfs/dbraw/zinc/14/61/87/167146187.db2.gz VDMFWTGDMOCOAY-UHFFFAOYSA-N 1 1 193.290 2.461 10 0 AEAEMO CC[N@@H+](C)Cc1cccc(F)c1F 306702871 167146350 /nfs/dbraw/zinc/14/63/50/167146350.db2.gz HZRCBXFTFFGNTQ-UHFFFAOYSA-N 1 1 185.217 2.417 10 0 AEAEMO CC[N@@H+](C)Cc1cc(N)ccc1Cl 37078101 167146608 /nfs/dbraw/zinc/14/66/08/167146608.db2.gz FYMVXGCPLIGSCX-UHFFFAOYSA-N 1 1 198.697 2.374 10 0 AEAEMO CC[N@H+](C)[C@@H](CN)c1ccc(C)s1 37078442 167146784 /nfs/dbraw/zinc/14/67/84/167146784.db2.gz FYDLAPKOOSTIOW-VIFPVBQESA-N 1 1 198.335 2.008 10 0 AEAEMO CC[N@@H+](C)[C@@H](CN)c1ccc(C)s1 37078442 167146787 /nfs/dbraw/zinc/14/67/87/167146787.db2.gz FYDLAPKOOSTIOW-VIFPVBQESA-N 1 1 198.335 2.008 10 0 AEAEMO CC[N@@H+](C)[C@@H](C)c1ccc(N)cc1 40908776 167146897 /nfs/dbraw/zinc/14/68/97/167146897.db2.gz CFZYEEVFKNTSSO-VIFPVBQESA-N 1 1 178.279 2.282 10 0 AEAEMO CC[N@@H+](C)Cc1ccc(Cl)nc1 13444136 167146918 /nfs/dbraw/zinc/14/69/18/167146918.db2.gz AOGIRNYPTIEBJZ-UHFFFAOYSA-N 1 1 184.670 2.187 10 0 AEAEMO CC[N@@H+](C)Cc1ccc2c(c1)CCN2 37078979 167146926 /nfs/dbraw/zinc/14/69/26/167146926.db2.gz NULWXKGCYNCSMC-UHFFFAOYSA-N 1 1 190.290 2.106 10 0 AEAEMO CC[N@@H+](C)[C@@H](C)[C@H](N)c1ccccc1 37078628 167147152 /nfs/dbraw/zinc/14/71/52/167147152.db2.gz YRXYSGWKNKPGGI-JQWIXIFHSA-N 1 1 192.306 2.027 10 0 AEAEMO CCN(C)[C@@H](C)[C@H]([NH3+])c1ccccc1 37078628 167147153 /nfs/dbraw/zinc/14/71/53/167147153.db2.gz YRXYSGWKNKPGGI-JQWIXIFHSA-N 1 1 192.306 2.027 10 0 AEAEMO CC[N@@H+](C)Cc1ccc(N)cc1Cl 49962990 167147233 /nfs/dbraw/zinc/14/72/33/167147233.db2.gz IXRYLEWQWSFZQN-UHFFFAOYSA-N 1 1 198.697 2.374 10 0 AEAEMO CC[N@@H+](C)Cc1ccc2c(n1)CCC2 334557525 167147280 /nfs/dbraw/zinc/14/72/80/167147280.db2.gz CEKPHEXZBDUZDU-UHFFFAOYSA-N 1 1 190.290 2.022 10 0 AEAEMO CC[N@@H+](C)Cc1ccc(Cl)c(N)c1 37078102 167147313 /nfs/dbraw/zinc/14/73/13/167147313.db2.gz LHAQEQHOZQZELA-UHFFFAOYSA-N 1 1 198.697 2.374 10 0 AEAEMO CC[N@@H+](C)Cc1ccc(N)c(C)c1 37078991 167147891 /nfs/dbraw/zinc/14/78/91/167147891.db2.gz VTUJWDAAMOUMKE-UHFFFAOYSA-N 1 1 178.279 2.029 10 0 AEAEMO CC[N@@H+](C)Cc1sc(C)nc1C 336553675 167147979 /nfs/dbraw/zinc/14/79/79/167147979.db2.gz UBDCIPSHFHNVEM-UHFFFAOYSA-N 1 1 184.308 2.212 10 0 AEAEMO CC[N@@H+](C)[C@H]1CCCCCC[C@@H]1O 44127679 167148465 /nfs/dbraw/zinc/14/84/65/167148465.db2.gz RRDVMXHNRBRPDL-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO CC[N@@H+](C)[C@H](C)c1cccc(N)c1 40908113 167148628 /nfs/dbraw/zinc/14/86/28/167148628.db2.gz OCMNVNWOWDIXPK-SECBINFHSA-N 1 1 178.279 2.282 10 0 AEAEMO CC[N@H+](C)[C@H](CN)c1sccc1C 37078413 167149017 /nfs/dbraw/zinc/14/90/17/167149017.db2.gz KUVHVCSZRGSWKD-SECBINFHSA-N 1 1 198.335 2.008 10 0 AEAEMO CC[N@@H+](C)[C@H](CN)c1sccc1C 37078413 167149020 /nfs/dbraw/zinc/14/90/20/167149020.db2.gz KUVHVCSZRGSWKD-SECBINFHSA-N 1 1 198.335 2.008 10 0 AEAEMO CC[N@@H+](C)[C@H](C)[C@H](N)c1ccccc1 37078629 167149353 /nfs/dbraw/zinc/14/93/53/167149353.db2.gz YRXYSGWKNKPGGI-PWSUYJOCSA-N 1 1 192.306 2.027 10 0 AEAEMO CCN(C)[C@H](C)[C@H]([NH3+])c1ccccc1 37078629 167149356 /nfs/dbraw/zinc/14/93/56/167149356.db2.gz YRXYSGWKNKPGGI-PWSUYJOCSA-N 1 1 192.306 2.027 10 0 AEAEMO CC[N@H+](C)c1ccc(N)c(C)c1 35278191 167149791 /nfs/dbraw/zinc/14/97/91/167149791.db2.gz HBGVXYCEBNQNSM-UHFFFAOYSA-N 1 1 164.252 2.033 10 0 AEAEMO CC[N@@H+](C)c1ccc(N)c(C)c1 35278191 167149794 /nfs/dbraw/zinc/14/97/94/167149794.db2.gz HBGVXYCEBNQNSM-UHFFFAOYSA-N 1 1 164.252 2.033 10 0 AEAEMO CC[N@H+](C)c1ccc(N)cc1C 57411981 167149845 /nfs/dbraw/zinc/14/98/45/167149845.db2.gz NPHCPXSEXLIWRL-UHFFFAOYSA-N 1 1 164.252 2.033 10 0 AEAEMO CC[N@@H+](C)c1ccc(N)cc1C 57411981 167149847 /nfs/dbraw/zinc/14/98/47/167149847.db2.gz NPHCPXSEXLIWRL-UHFFFAOYSA-N 1 1 164.252 2.033 10 0 AEAEMO CC[N@H+](C1CC1)[C@@H]([C@@H](C)N)C(C)(C)C 43292094 167150065 /nfs/dbraw/zinc/15/00/65/167150065.db2.gz FLMRINHNSKHEFO-KOLCDFICSA-N 1 1 198.354 2.233 10 0 AEAEMO CCN(C1CC1)[C@@H]([C@@H](C)[NH3+])C(C)(C)C 43292094 167150067 /nfs/dbraw/zinc/15/00/67/167150067.db2.gz FLMRINHNSKHEFO-KOLCDFICSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[N@@H+](C)[C@H](C)c1ccc(N)cc1 40908777 167150110 /nfs/dbraw/zinc/15/01/10/167150110.db2.gz CFZYEEVFKNTSSO-SECBINFHSA-N 1 1 178.279 2.282 10 0 AEAEMO CC[N@H+](C)[C@H](CN)c1ccc(C)s1 37078443 167150951 /nfs/dbraw/zinc/15/09/51/167150951.db2.gz FYDLAPKOOSTIOW-SECBINFHSA-N 1 1 198.335 2.008 10 0 AEAEMO CC[N@@H+](C)[C@H](CN)c1ccc(C)s1 37078443 167150953 /nfs/dbraw/zinc/15/09/53/167150953.db2.gz FYDLAPKOOSTIOW-SECBINFHSA-N 1 1 198.335 2.008 10 0 AEAEMO CC[N@@H+](C1CC1)C1(CN)CCCCC1 37079727 167151255 /nfs/dbraw/zinc/15/12/55/167151255.db2.gz IXKLJMNVHMWKEQ-UHFFFAOYSA-N 1 1 196.338 2.132 10 0 AEAEMO CC[N@H+](C)[C@H](c1cccs1)[C@@H](C)N 43103307 167151416 /nfs/dbraw/zinc/15/14/16/167151416.db2.gz PKWSGKPKGPBULE-SCZZXKLOSA-N 1 1 198.335 2.088 10 0 AEAEMO CC[N@@H+](C)[C@H](c1cccs1)[C@@H](C)N 43103307 167151418 /nfs/dbraw/zinc/15/14/18/167151418.db2.gz PKWSGKPKGPBULE-SCZZXKLOSA-N 1 1 198.335 2.088 10 0 AEAEMO CC[N@H+](C)[C@H](c1ccccc1)[C@@H](C)N 42901059 167152012 /nfs/dbraw/zinc/15/20/12/167152012.db2.gz DHRZWOVMFJGDBK-PWSUYJOCSA-N 1 1 192.306 2.027 10 0 AEAEMO CC[N@@H+](C)[C@H](c1ccccc1)[C@@H](C)N 42901059 167152015 /nfs/dbraw/zinc/15/20/15/167152015.db2.gz DHRZWOVMFJGDBK-PWSUYJOCSA-N 1 1 192.306 2.027 10 0 AEAEMO CC[N@H+](C1CCCCC1)[C@H](C)[C@@H](C)O 44113571 167152414 /nfs/dbraw/zinc/15/24/14/167152414.db2.gz BWJGZGAGUSLIMY-GHMZBOCLSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[N@@H+](C1CC1)[C@@H]1CCCCC[C@@H]1O 44127889 167152441 /nfs/dbraw/zinc/15/24/41/167152441.db2.gz FRQKYTNGCJOTHU-NEPJUHHUSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[N@H+](C1CCCC1)C1CCNCC1 35766401 167152750 /nfs/dbraw/zinc/15/27/50/167152750.db2.gz LVEDTSGCJRZKDI-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[N@@H+](C1CCCC1)C1CCNCC1 35766401 167152752 /nfs/dbraw/zinc/15/27/52/167152752.db2.gz LVEDTSGCJRZKDI-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[N@@H+](C1CCCC1)[C@@H](C)[C@@H](C)NC 43890629 167152909 /nfs/dbraw/zinc/15/29/09/167152909.db2.gz DTAIBZSWDVNREU-MNOVXSKESA-N 1 1 198.354 2.247 10 0 AEAEMO CC[N@H+](C1CCCC1)[C@@H](C)[C@@H](C)NC 43890629 167152912 /nfs/dbraw/zinc/15/29/12/167152912.db2.gz DTAIBZSWDVNREU-MNOVXSKESA-N 1 1 198.354 2.247 10 0 AEAEMO CC[N@H+](C1CCCC1)[C@@H]1CCCNC1 35766360 167152936 /nfs/dbraw/zinc/15/29/36/167152936.db2.gz FODQNIAZSNUWNR-GFCCVEGCSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[N@@H+](C1CCCC1)[C@@H]1CCCNC1 35766360 167152939 /nfs/dbraw/zinc/15/29/39/167152939.db2.gz FODQNIAZSNUWNR-GFCCVEGCSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[N@@H+](C1CCCC1)[C@@H]1CCC[C@@H]1N 35765966 167153077 /nfs/dbraw/zinc/15/30/77/167153077.db2.gz MNRUYVRKENYGOG-NWDGAFQWSA-N 1 1 196.338 2.131 10 0 AEAEMO CC[N@H+](C1CC1)[C@H]([C@@H](C)N)C(C)(C)C 43292096 167153247 /nfs/dbraw/zinc/15/32/47/167153247.db2.gz FLMRINHNSKHEFO-MWLCHTKSSA-N 1 1 198.354 2.233 10 0 AEAEMO CCN(C1CC1)[C@H]([C@@H](C)[NH3+])C(C)(C)C 43292096 167153250 /nfs/dbraw/zinc/15/32/50/167153250.db2.gz FLMRINHNSKHEFO-MWLCHTKSSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[N@H+](C1CCCC1)[C@H]1CCCNC1 35766362 167153275 /nfs/dbraw/zinc/15/32/75/167153275.db2.gz FODQNIAZSNUWNR-LBPRGKRZSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[N@@H+](C1CCCC1)[C@H]1CCCNC1 35766362 167153278 /nfs/dbraw/zinc/15/32/78/167153278.db2.gz FODQNIAZSNUWNR-LBPRGKRZSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[N@@H+](C1CCCC1)[C@H]1CCOC1 334258901 167153488 /nfs/dbraw/zinc/15/34/88/167153488.db2.gz PNGZUFDTZIIEPY-NSHDSACASA-N 1 1 183.295 2.040 10 0 AEAEMO CC[N@@H+](C1CCCC1)[C@H]1CCC[C@@H]1N 35765967 167153578 /nfs/dbraw/zinc/15/35/78/167153578.db2.gz MNRUYVRKENYGOG-RYUDHWBXSA-N 1 1 196.338 2.131 10 0 AEAEMO CC[N@@H+](C1CC1)[C@H]1CCCCC[C@@H]1O 44127891 167153690 /nfs/dbraw/zinc/15/36/90/167153690.db2.gz FRQKYTNGCJOTHU-RYUDHWBXSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[N@@H+](C1CC1)[C@@H]1CCCCCC1=O 37661045 167154177 /nfs/dbraw/zinc/15/41/77/167154177.db2.gz QQDQWTFRJSJWAL-LLVKDONJSA-N 1 1 195.306 2.373 10 0 AEAEMO CC[N@H+](C1CCCC1)[C@H](C)[C@@H](C)O 44131983 167154390 /nfs/dbraw/zinc/15/43/90/167154390.db2.gz LBMPPVOBIFZSLU-NXEZZACHSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[N@@H+](C1CCCC1)[C@H]1CCCC1=O 37337492 167154533 /nfs/dbraw/zinc/15/45/33/167154533.db2.gz DGTRJNWBONWVFE-NSHDSACASA-N 1 1 195.306 2.373 10 0 AEAEMO CC[N@@H+](C1CCCC1)[C@@H]1CCOC1 334258898 167154577 /nfs/dbraw/zinc/15/45/77/167154577.db2.gz PNGZUFDTZIIEPY-LLVKDONJSA-N 1 1 183.295 2.040 10 0 AEAEMO CC[N@@H+](C1CCCC1)[C@@H]1CCCC1=O 37337490 167154631 /nfs/dbraw/zinc/15/46/31/167154631.db2.gz DGTRJNWBONWVFE-LLVKDONJSA-N 1 1 195.306 2.373 10 0 AEAEMO CC[N@@H+](C1CCCC1)[C@H](C)[C@@H](C)NC 43890631 167154656 /nfs/dbraw/zinc/15/46/56/167154656.db2.gz DTAIBZSWDVNREU-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[N@H+](C1CCCC1)[C@H](C)[C@@H](C)NC 43890631 167154660 /nfs/dbraw/zinc/15/46/60/167154660.db2.gz DTAIBZSWDVNREU-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[N@H+](C1CCCCC1)[C@H](C)[C@@H](C)N 41053693 167154820 /nfs/dbraw/zinc/15/48/20/167154820.db2.gz FTWMZPQWWZNTDV-GHMZBOCLSA-N 1 1 198.354 2.377 10 0 AEAEMO CC[N@H+](C1CCCC1)[C@@H](C)[C@@H](C)O 44131981 167155027 /nfs/dbraw/zinc/15/50/27/167155027.db2.gz LBMPPVOBIFZSLU-VHSXEESVSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[N@@H+](C1CC1)[C@@H]1CCCCC[C@@H]1N 37079821 167155043 /nfs/dbraw/zinc/15/50/43/167155043.db2.gz SUAGMSJLNUDRDI-NWDGAFQWSA-N 1 1 196.338 2.131 10 0 AEAEMO CCN(C1CC1)[C@@H]1CCCCC[C@@H]1[NH3+] 37079821 167155047 /nfs/dbraw/zinc/15/50/47/167155047.db2.gz SUAGMSJLNUDRDI-NWDGAFQWSA-N 1 1 196.338 2.131 10 0 AEAEMO CC[N@@H+](C1CCCCC1)C(C)(C)CN 35176756 167155119 /nfs/dbraw/zinc/15/51/19/167155119.db2.gz UEQSPYUVXPKHGC-UHFFFAOYSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[N@@H+](C1CC1)[C@H]1CCCCC[C@@H]1N 37079822 167155296 /nfs/dbraw/zinc/15/52/96/167155296.db2.gz SUAGMSJLNUDRDI-RYUDHWBXSA-N 1 1 196.338 2.131 10 0 AEAEMO CCN(C1CC1)[C@H]1CCCCC[C@@H]1[NH3+] 37079822 167155300 /nfs/dbraw/zinc/15/53/00/167155300.db2.gz SUAGMSJLNUDRDI-RYUDHWBXSA-N 1 1 196.338 2.131 10 0 AEAEMO CC[N@@H+](C1CCCC1)[C@H]1CCC[C@@H]1O 37693988 167155419 /nfs/dbraw/zinc/15/54/19/167155419.db2.gz FAFKPWMOMJFOLT-RYUDHWBXSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[N@H+](C1CCCCC1)[C@@H](C)[C@@H](C)O 44113568 167155533 /nfs/dbraw/zinc/15/55/33/167155533.db2.gz BWJGZGAGUSLIMY-WDEREUQCSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[N@@H+](C1CCCC1)[C@@H]1CCC[C@@H]1O 37693987 167155537 /nfs/dbraw/zinc/15/55/37/167155537.db2.gz FAFKPWMOMJFOLT-NEPJUHHUSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[N@@H+](C1CC1)[C@H]1CCCCCC1=O 37661046 167155638 /nfs/dbraw/zinc/15/56/38/167155638.db2.gz QQDQWTFRJSJWAL-NSHDSACASA-N 1 1 195.306 2.373 10 0 AEAEMO CC[N@H+](C1CCCCC1)[C@@H](C)[C@@H](C)N 41053692 167155675 /nfs/dbraw/zinc/15/56/75/167155675.db2.gz FTWMZPQWWZNTDV-MNOVXSKESA-N 1 1 198.354 2.377 10 0 AEAEMO CCN(CC(C)C)c1[nH+]cccc1N 37111324 167156033 /nfs/dbraw/zinc/15/60/33/167156033.db2.gz ZJGAYEDYACPIKY-UHFFFAOYSA-N 1 1 193.294 2.146 10 0 AEAEMO CC[N@H+](CC(C)(C)CN)C1CCCC1 51216852 167156128 /nfs/dbraw/zinc/15/61/28/167156128.db2.gz NPXVCUVKKFLUOA-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[N@@H+](CC(C)(C)CN)C1CCCC1 51216852 167156129 /nfs/dbraw/zinc/15/61/29/167156129.db2.gz NPXVCUVKKFLUOA-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[N@@H+](CC(C)(C)N)C1CCCCC1 40925801 167156242 /nfs/dbraw/zinc/15/62/42/167156242.db2.gz KYCZRUBNSCFWPX-UHFFFAOYSA-N 1 1 198.354 2.378 10 0 AEAEMO CCN(CC(C)C)c1ccc(N)[nH+]c1 37111319 167156750 /nfs/dbraw/zinc/15/67/50/167156750.db2.gz JKCANHDKLFHFEN-UHFFFAOYSA-N 1 1 193.294 2.146 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@@H]1CCCC[C@@H]1N 37111456 167156833 /nfs/dbraw/zinc/15/68/33/167156833.db2.gz IJAWZQFELXQIOV-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@H+](CC(C)C)[C@@H]1CCCCNC1 54134971 167157007 /nfs/dbraw/zinc/15/70/07/167157007.db2.gz RFKMDQRBBGPNGW-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@@H]1CCCCNC1 54134971 167157008 /nfs/dbraw/zinc/15/70/08/167157008.db2.gz RFKMDQRBBGPNGW-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[N@H+](CC(CC)(CC)CN)C1CC1 51215046 167157070 /nfs/dbraw/zinc/15/70/70/167157070.db2.gz OCNKEQJVABJRCQ-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[N@@H+](CC(CC)(CC)CN)C1CC1 51215046 167157071 /nfs/dbraw/zinc/15/70/71/167157071.db2.gz OCNKEQJVABJRCQ-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[N@H+](CC(C)C)[C@H]1CCC[C@@H]1NC 43887878 167157082 /nfs/dbraw/zinc/15/70/82/167157082.db2.gz AGWIODAJZAXFRR-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@H]1CCC[C@@H]1NC 43887878 167157084 /nfs/dbraw/zinc/15/70/84/167157084.db2.gz AGWIODAJZAXFRR-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@H]1CCCC[C@@H]1N 37111458 167158042 /nfs/dbraw/zinc/15/80/42/167158042.db2.gz IJAWZQFELXQIOV-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@H+](CC(C)C)[C@H]1CCCCNC1 54134973 167158080 /nfs/dbraw/zinc/15/80/80/167158080.db2.gz RFKMDQRBBGPNGW-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@H]1CCCCNC1 54134973 167158084 /nfs/dbraw/zinc/15/80/84/167158084.db2.gz RFKMDQRBBGPNGW-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[N@@H+](CC(CC)(CC)CO)C1CC1 51292776 167158767 /nfs/dbraw/zinc/15/87/67/167158767.db2.gz BJOJAUGMHPONKV-UHFFFAOYSA-N 1 1 199.338 2.269 10 0 AEAEMO CCN(CC(C)C)c1ccc(N)c[nH+]1 37111328 167158872 /nfs/dbraw/zinc/15/88/72/167158872.db2.gz LWKIPYMRKDKHJB-UHFFFAOYSA-N 1 1 193.294 2.146 10 0 AEAEMO CC[N@H+](CC(C)C)[C@@H]1CCC[C@@H]1NC 43887877 167158896 /nfs/dbraw/zinc/15/88/96/167158896.db2.gz AGWIODAJZAXFRR-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@@H+](CC(C)C)[C@@H]1CCC[C@@H]1NC 43887877 167158898 /nfs/dbraw/zinc/15/88/98/167158898.db2.gz AGWIODAJZAXFRR-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCN(CC)C[C@@H]([NH3+])c1cccs1 19821509 167165611 /nfs/dbraw/zinc/16/56/11/167165611.db2.gz FREBIJCJQURFLE-SECBINFHSA-N 1 1 198.335 2.090 10 0 AEAEMO CC[NH+](CC)CCN1CCCCCC1 19364988 167168073 /nfs/dbraw/zinc/16/80/73/167168073.db2.gz OFQTTYARSSMPNX-UHFFFAOYSA-N 1 1 198.354 2.204 10 0 AEAEMO CCN(CC)C[C@H]([NH3+])c1cccs1 19821511 167170453 /nfs/dbraw/zinc/17/04/53/167170453.db2.gz FREBIJCJQURFLE-VIFPVBQESA-N 1 1 198.335 2.090 10 0 AEAEMO CCN(CC)[C@H](CC[NH3+])c1ccco1 11762646 167172557 /nfs/dbraw/zinc/17/25/57/167172557.db2.gz HPHIUJVHRBJDOY-SNVBAGLBSA-N 1 1 196.294 2.011 10 0 AEAEMO CCN(CC)[C@H]([C@H](C)[NH3+])C(C)(C)C 43291346 167172582 /nfs/dbraw/zinc/17/25/82/167172582.db2.gz WYLPKCVSNFAQCW-VHSXEESVSA-N 1 1 186.343 2.090 10 0 AEAEMO CCN(CC)[C@H]1CCCCCC[C@H]1[NH3+] 23070396 167173008 /nfs/dbraw/zinc/17/30/08/167173008.db2.gz UGZHQRVVAPWPJS-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCN(CC)[C@H]1CCCCCC[C@@H]1[NH3+] 23070393 167173044 /nfs/dbraw/zinc/17/30/44/167173044.db2.gz UGZHQRVVAPWPJS-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCN(CC)[C@H]1CCC[N@@H+](C(C)C)C1 73653135 167173089 /nfs/dbraw/zinc/17/30/89/167173089.db2.gz RIXQBQWXYQATJL-LBPRGKRZSA-N 1 1 198.354 2.201 10 0 AEAEMO CCN(CC)[C@H]1CCC[N@H+](C(C)C)C1 73653135 167173091 /nfs/dbraw/zinc/17/30/91/167173091.db2.gz RIXQBQWXYQATJL-LBPRGKRZSA-N 1 1 198.354 2.201 10 0 AEAEMO CCN(CC)[C@@H]1CCC[N@@H+](C(C)C)C1 73653134 167173438 /nfs/dbraw/zinc/17/34/38/167173438.db2.gz RIXQBQWXYQATJL-GFCCVEGCSA-N 1 1 198.354 2.201 10 0 AEAEMO CCN(CC)[C@@H]1CCC[N@H+](C(C)C)C1 73653134 167173440 /nfs/dbraw/zinc/17/34/40/167173440.db2.gz RIXQBQWXYQATJL-GFCCVEGCSA-N 1 1 198.354 2.201 10 0 AEAEMO CCN(CC)c1cc(C)cc[nH+]1 95483590 167174552 /nfs/dbraw/zinc/17/45/52/167174552.db2.gz DDBXXAUBACBYFG-UHFFFAOYSA-N 1 1 164.252 2.236 10 0 AEAEMO CCN(CC)[C@H]([C@@H](C)[NH3+])C(C)(C)C 43291342 167174820 /nfs/dbraw/zinc/17/48/20/167174820.db2.gz WYLPKCVSNFAQCW-NXEZZACHSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[N@@H+](CC1(CO)CCCC1)C(C)C 51292865 167175252 /nfs/dbraw/zinc/17/52/52/167175252.db2.gz BIAKPXRPESJSSA-UHFFFAOYSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[N@@H+](CC1(N)CCCCC1)C(C)C 37082418 167175868 /nfs/dbraw/zinc/17/58/68/167175868.db2.gz BOQLGPNOUINCKH-UHFFFAOYSA-N 1 1 198.354 2.378 10 0 AEAEMO CCN(CC1([NH3+])CCCCC1)C(C)C 37082418 167175869 /nfs/dbraw/zinc/17/58/69/167175869.db2.gz BOQLGPNOUINCKH-UHFFFAOYSA-N 1 1 198.354 2.378 10 0 AEAEMO CCN(CC1([NH3+])CCCCC1)C1CC1 37080134 167176345 /nfs/dbraw/zinc/17/63/45/167176345.db2.gz XKGLXJGUGIMEAY-UHFFFAOYSA-N 1 1 196.338 2.132 10 0 AEAEMO CCN(CC)c1ccc2[nH]c[nH+]c2c1 39263870 167176759 /nfs/dbraw/zinc/17/67/59/167176759.db2.gz QXMSBIXEGFWBGP-UHFFFAOYSA-N 1 1 189.262 2.409 10 0 AEAEMO CC[N@H+](CC1(CN)CCCC1)C(C)C 51215328 167177114 /nfs/dbraw/zinc/17/71/14/167177114.db2.gz LNVJMSYWOXLURZ-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[N@@H+](CC1(CN)CCCC1)C(C)C 51215328 167177116 /nfs/dbraw/zinc/17/71/16/167177116.db2.gz LNVJMSYWOXLURZ-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CCN(CC)c1cccn2cc[nH+]c12 89201524 167177186 /nfs/dbraw/zinc/17/71/86/167177186.db2.gz MDOSUJCZHFYFQV-UHFFFAOYSA-N 1 1 189.262 2.181 10 0 AEAEMO CC[N@@H+](CC1CCCC1)C(C)(C)CN 50090849 167177510 /nfs/dbraw/zinc/17/75/10/167177510.db2.gz PARLASYDLHCJDP-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[N@@H+](CC1(CO)CCCC1)C1CC1 51292795 167177694 /nfs/dbraw/zinc/17/76/94/167177694.db2.gz WOPJTCKLRVHTKU-UHFFFAOYSA-N 1 1 197.322 2.023 10 0 AEAEMO CCN(CC=C(C)C)C1CC[NH2+]CC1 37469526 167177915 /nfs/dbraw/zinc/17/79/15/167177915.db2.gz XCCZLBYPCDEPIW-UHFFFAOYSA-N 1 1 196.338 2.027 10 0 AEAEMO CC[N@@H+](CCCC[C@H](C)O)C(C)C 45619546 167178849 /nfs/dbraw/zinc/17/88/49/167178849.db2.gz KWUCWRAFRSGJOJ-NSHDSACASA-N 1 1 187.327 2.268 10 0 AEAEMO CC[N@@H+](CCCC[C@H](C)O)C1CC1 45619535 167179676 /nfs/dbraw/zinc/17/96/76/167179676.db2.gz DLAZDUALLITVGD-JTQLQIEISA-N 1 1 185.311 2.022 10 0 AEAEMO CC[N@@H+](CCC(C)C)C(C)(C)CN 50090919 167179700 /nfs/dbraw/zinc/17/97/00/167179700.db2.gz CLGKHZOIGHJQNP-UHFFFAOYSA-N 1 1 186.343 2.092 10 0 AEAEMO CC[N@@H+](CCCC[C@@H](C)O)C1CC1 45619532 167181362 /nfs/dbraw/zinc/18/13/62/167181362.db2.gz DLAZDUALLITVGD-SNVBAGLBSA-N 1 1 185.311 2.022 10 0 AEAEMO CC[N@@H+](CCCC[C@@H](C)O)C(C)C 45619543 167182029 /nfs/dbraw/zinc/18/20/29/167182029.db2.gz KWUCWRAFRSGJOJ-LLVKDONJSA-N 1 1 187.327 2.268 10 0 AEAEMO C[N@H+]1CCC[C@H](Nc2ccsc2)C1 134289669 343938625 /nfs/dbraw/zinc/93/86/25/343938625.db2.gz QVJUCSQSDYQMPH-VIFPVBQESA-N 1 1 196.319 2.254 10 0 AEAEMO CC[N@H+](C[C@@H](C)NC)C1CCCCC1 43804093 167189661 /nfs/dbraw/zinc/18/96/61/167189661.db2.gz FETUYCMABAFGIE-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[N@@H+](C[C@@H](C)NC)C1CCCCC1 43804093 167189662 /nfs/dbraw/zinc/18/96/62/167189662.db2.gz FETUYCMABAFGIE-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[N@H+](C[C@@](C)(CC)CN)C(C)C 51215324 167191525 /nfs/dbraw/zinc/19/15/25/167191525.db2.gz VSOWDTZDESBGJG-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CC[N@@H+](C[C@@](C)(CC)CN)C(C)C 51215324 167191527 /nfs/dbraw/zinc/19/15/27/167191527.db2.gz VSOWDTZDESBGJG-NSHDSACASA-N 1 1 186.343 2.092 10 0 AEAEMO CC[N@@H+](Cc1ccccc1N)C(C)C 37081538 167191955 /nfs/dbraw/zinc/19/19/55/167191955.db2.gz KIOQXIADPVLMES-UHFFFAOYSA-N 1 1 192.306 2.499 10 0 AEAEMO C[N@H+]1CCC[C@@H](Nc2ccsc2)C1 134289694 343938660 /nfs/dbraw/zinc/93/86/60/343938660.db2.gz QVJUCSQSDYQMPH-SECBINFHSA-N 1 1 196.319 2.254 10 0 AEAEMO CC[N@H+](C[C@H](C)NC)C1CCCCC1 43804096 167193171 /nfs/dbraw/zinc/19/31/71/167193171.db2.gz FETUYCMABAFGIE-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[N@@H+](C[C@H](C)NC)C1CCCCC1 43804096 167193175 /nfs/dbraw/zinc/19/31/75/167193175.db2.gz FETUYCMABAFGIE-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[N@@H+](C[C@](C)(CC)CO)C(C)C 51292856 167193906 /nfs/dbraw/zinc/19/39/06/167193906.db2.gz MPQJCKSNRZSQDB-NSHDSACASA-N 1 1 187.327 2.125 10 0 AEAEMO CC[N@@H+](Cc1ccccc1N)C1CC1 37079294 167194203 /nfs/dbraw/zinc/19/42/03/167194203.db2.gz RZLFTYKXOYZLAJ-UHFFFAOYSA-N 1 1 190.290 2.253 10 0 AEAEMO CC[N@@H+](C[C@@](C)(CC)CO)C(C)C 51292858 167194454 /nfs/dbraw/zinc/19/44/54/167194454.db2.gz MPQJCKSNRZSQDB-LLVKDONJSA-N 1 1 187.327 2.125 10 0 AEAEMO CC[N@H+](C[C@](C)(CC)CN)C(C)C 51215325 167194475 /nfs/dbraw/zinc/19/44/75/167194475.db2.gz VSOWDTZDESBGJG-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CC[N@@H+](C[C@](C)(CC)CN)C(C)C 51215325 167194477 /nfs/dbraw/zinc/19/44/77/167194477.db2.gz VSOWDTZDESBGJG-LLVKDONJSA-N 1 1 186.343 2.092 10 0 AEAEMO CC[N@@H+]([C@H]1CCOC1)[C@H]1C=CCCC1 336354686 167195340 /nfs/dbraw/zinc/19/53/40/167195340.db2.gz MLCHFAKPNCRPQM-RYUDHWBXSA-N 1 1 195.306 2.206 10 0 AEAEMO CCN(c1ccc(N)[nH+]c1)C(C)(C)C 19952696 167195353 /nfs/dbraw/zinc/19/53/53/167195353.db2.gz BNKVKMQJYIMTHD-UHFFFAOYSA-N 1 1 193.294 2.289 10 0 AEAEMO CC[N@H+]([C@@H]1C=CCCC1)[C@@H]1CCOC1 336354687 167195408 /nfs/dbraw/zinc/19/54/08/167195408.db2.gz MLCHFAKPNCRPQM-VXGBXAGGSA-N 1 1 195.306 2.206 10 0 AEAEMO CCN(c1[nH+]cccc1N)C(C)(C)C 20317206 167195443 /nfs/dbraw/zinc/19/54/43/167195443.db2.gz VAANPEYTLZRLNN-UHFFFAOYSA-N 1 1 193.294 2.289 10 0 AEAEMO CC[N@H+](c1ccncc1)n1cccc1 13745978 167195780 /nfs/dbraw/zinc/19/57/80/167195780.db2.gz DNJVUBHSRZPIGX-UHFFFAOYSA-N 1 1 187.246 2.173 10 0 AEAEMO CCN(c1ccc(N)c[nH+]1)C(C)(C)C 19952548 167195866 /nfs/dbraw/zinc/19/58/66/167195866.db2.gz DISQYLHVTZCKDG-UHFFFAOYSA-N 1 1 193.294 2.289 10 0 AEAEMO CC[N@H+]([C@H]1C=CCCC1)[C@@H]1CCOC1 336354685 167195963 /nfs/dbraw/zinc/19/59/63/167195963.db2.gz MLCHFAKPNCRPQM-NWDGAFQWSA-N 1 1 195.306 2.206 10 0 AEAEMO CC[N@H+]([C@@H]1C=CCCC1)[C@H]1CCOC1 336354684 167196115 /nfs/dbraw/zinc/19/61/15/167196115.db2.gz MLCHFAKPNCRPQM-NEPJUHHUSA-N 1 1 195.306 2.206 10 0 AEAEMO CCN(c1[nH+]cc(N)cc1C)C(C)C 52812589 167196378 /nfs/dbraw/zinc/19/63/78/167196378.db2.gz PTCJQNCHQBZZOA-UHFFFAOYSA-N 1 1 193.294 2.207 10 0 AEAEMO CC[N@@H+]1CC(C)(C)NC2(CCCC2)C1 22911268 167197405 /nfs/dbraw/zinc/19/74/05/167197405.db2.gz BEQMZVNRNVMYOH-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO CCN1CC(C)(C)[NH2+]C2(CCCC2)C1 22911268 167197407 /nfs/dbraw/zinc/19/74/07/167197407.db2.gz BEQMZVNRNVMYOH-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[N@H+]1CC2(CCC2)C[C@H]1C 307298751 167197562 /nfs/dbraw/zinc/19/75/62/167197562.db2.gz UNNLLTFMHMYSMJ-SECBINFHSA-N 1 1 153.269 2.271 10 0 AEAEMO CC[N@H+]1CC(C)(C)NC[C@@H]1CC(C)C 62568334 167198497 /nfs/dbraw/zinc/19/84/97/167198497.db2.gz OVPXTYSHDKROGS-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CCN1CC(C)(C)[NH2+]C[C@@H]1CC(C)C 62568334 167198499 /nfs/dbraw/zinc/19/84/99/167198499.db2.gz OVPXTYSHDKROGS-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@H+]1CC12CCCCC2 95931083 167199356 /nfs/dbraw/zinc/19/93/56/167199356.db2.gz WTJURVWMMBJHPT-UHFFFAOYSA-N 1 1 139.242 2.025 10 0 AEAEMO CC[N@H+]1CC2(CCC2)C[C@@H]1C 307298752 167199513 /nfs/dbraw/zinc/19/95/13/167199513.db2.gz UNNLLTFMHMYSMJ-VIFPVBQESA-N 1 1 153.269 2.271 10 0 AEAEMO CC[N@H+]1CC(C)(C)NC[C@H]1CC(C)C 62568335 167200122 /nfs/dbraw/zinc/20/01/22/167200122.db2.gz OVPXTYSHDKROGS-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCN1CC(C)(C)[NH2+]C[C@H]1CC(C)C 62568335 167200124 /nfs/dbraw/zinc/20/01/24/167200124.db2.gz OVPXTYSHDKROGS-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@H+]1CCC=C2C=CC=C21 39079745 167201491 /nfs/dbraw/zinc/20/14/91/167201491.db2.gz PWGKESJYAYWFDX-UHFFFAOYSA-N 1 1 147.221 2.092 10 0 AEAEMO CCN1CCC[C@@H](C[NH2+]C(C)(C)C)C1 53657034 167204137 /nfs/dbraw/zinc/20/41/37/167204137.db2.gz LJOJXUBTFOCLHY-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CC[N@H+]1CCCC=C1C 100227046 167204198 /nfs/dbraw/zinc/20/41/98/167204198.db2.gz HFDYMWORRGGBSZ-UHFFFAOYSA-N 1 1 125.215 2.006 10 0 AEAEMO CCN1CCC[C@H](C[NH2+]C(C)(C)C)C1 53657033 167206788 /nfs/dbraw/zinc/20/67/88/167206788.db2.gz LJOJXUBTFOCLHY-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCN1CCC[C@H]([C@@H](C)[NH2+]C(C)C)C1 37208660 167210304 /nfs/dbraw/zinc/21/03/04/167210304.db2.gz OGTKUXDUHVQSAF-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCN1CC[C@@H]([NH2+]CC(C)C)C[C@@H]1C 73655792 167216100 /nfs/dbraw/zinc/21/61/00/167216100.db2.gz RNONHBHBBYVJNF-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCN1CC[C@@H]([NH2+]C(C)(C)C)C[C@H]1C 242688297 167216365 /nfs/dbraw/zinc/21/63/65/167216365.db2.gz VNBCGIIQCBXMNN-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[N@@H+]1CCOc2cccc(F)c2C1 335068821 167217710 /nfs/dbraw/zinc/21/77/10/167217710.db2.gz YUCGEFUCRZDRDW-UHFFFAOYSA-N 1 1 195.237 2.040 10 0 AEAEMO CC[N@H+]1CCOc2cccc(F)c2C1 335068821 167217713 /nfs/dbraw/zinc/21/77/13/167217713.db2.gz YUCGEFUCRZDRDW-UHFFFAOYSA-N 1 1 195.237 2.040 10 0 AEAEMO CC[N@H+]1CC[C@@H](c2cccc(N)c2)C1 66346895 167217857 /nfs/dbraw/zinc/21/78/57/167217857.db2.gz MFRGBTHJWLOYNM-LLVKDONJSA-N 1 1 190.290 2.078 10 0 AEAEMO CCN1CC[C@@H]([NH2+]C(C)(C)C)C[C@@H]1C 73655723 167217918 /nfs/dbraw/zinc/21/79/18/167217918.db2.gz VNBCGIIQCBXMNN-WDEREUQCSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[N@@H+]1CCO[C@H](c2cccs2)C1 336554069 167219201 /nfs/dbraw/zinc/21/92/01/167219201.db2.gz LRUOMXFOBSWBIK-VIFPVBQESA-N 1 1 197.303 2.141 10 0 AEAEMO CC[N@H+]1CCO[C@H](c2cccs2)C1 336554069 167219204 /nfs/dbraw/zinc/21/92/04/167219204.db2.gz LRUOMXFOBSWBIK-VIFPVBQESA-N 1 1 197.303 2.141 10 0 AEAEMO CC[N@@H+]1CCO[C@@H](c2cccs2)C1 336554068 167219818 /nfs/dbraw/zinc/21/98/18/167219818.db2.gz LRUOMXFOBSWBIK-SECBINFHSA-N 1 1 197.303 2.141 10 0 AEAEMO CC[N@H+]1CCO[C@@H](c2cccs2)C1 336554068 167219821 /nfs/dbraw/zinc/21/98/21/167219821.db2.gz LRUOMXFOBSWBIK-SECBINFHSA-N 1 1 197.303 2.141 10 0 AEAEMO CCN1CC[C@@H]([NH2+]CC(C)C)C[C@H]1C 242648968 167219871 /nfs/dbraw/zinc/21/98/71/167219871.db2.gz RNONHBHBBYVJNF-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@H+]1CC[C@@H](CC(F)(F)F)C1 306710437 167220602 /nfs/dbraw/zinc/22/06/02/167220602.db2.gz MRNYOJWQFCAOFY-ZETCQYMHSA-N 1 1 181.201 2.281 10 0 AEAEMO CCN1CC[C@@H]([NH2+]C(C)(C)C)[C@H](C)C1 73653799 167220801 /nfs/dbraw/zinc/22/08/01/167220801.db2.gz BGJVCYIRZMACLR-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CCN1CC[C@H]([NH2+]CC(C)C)C[C@@H]1C 73655787 167221593 /nfs/dbraw/zinc/22/15/93/167221593.db2.gz RNONHBHBBYVJNF-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@H+]1CCc2scc(C)c2C1 39123386 167221765 /nfs/dbraw/zinc/22/17/65/167221765.db2.gz JGURFVYVRHLZLS-UHFFFAOYSA-N 1 1 181.304 2.435 10 0 AEAEMO CC[N@@H+]1CCc2ccc(F)c(F)c2C1 334520230 167221878 /nfs/dbraw/zinc/22/18/78/167221878.db2.gz WHUYKRHWWABWOV-UHFFFAOYSA-N 1 1 197.228 2.343 10 0 AEAEMO CC[N@H+]1CCc2ccc(F)c(F)c2C1 334520230 167221881 /nfs/dbraw/zinc/22/18/81/167221881.db2.gz WHUYKRHWWABWOV-UHFFFAOYSA-N 1 1 197.228 2.343 10 0 AEAEMO CCN1CC[C@H]([NH2+]C(C)(C)C)[C@H](C)C1 73653794 167222671 /nfs/dbraw/zinc/22/26/71/167222671.db2.gz BGJVCYIRZMACLR-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CCN1CC[C@H]([NH2+]C(C)(C)C)C[C@H]1C 242688298 167223411 /nfs/dbraw/zinc/22/34/11/167223411.db2.gz VNBCGIIQCBXMNN-MNOVXSKESA-N 1 1 198.354 2.247 10 0 AEAEMO CC[N@H+]1CCc2cc(C)sc2C1 39123413 167223576 /nfs/dbraw/zinc/22/35/76/167223576.db2.gz QRVNVRNCIIOQHQ-UHFFFAOYSA-N 1 1 181.304 2.435 10 0 AEAEMO CC[N@H+]1CC[C@H](Oc2ccccc2)C1 335393901 167223599 /nfs/dbraw/zinc/22/35/99/167223599.db2.gz DQLIWUJCKDYRDT-LBPRGKRZSA-N 1 1 191.274 2.160 10 0 AEAEMO CCN1CC[C@H]([NH2+]C(C)(C)C)C[C@@H]1C 73655721 167223643 /nfs/dbraw/zinc/22/36/43/167223643.db2.gz VNBCGIIQCBXMNN-QWRGUYRKSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[N@H+]1CC[C@H](c2cccc(N)c2)C1 66346891 167223777 /nfs/dbraw/zinc/22/37/77/167223777.db2.gz MFRGBTHJWLOYNM-NSHDSACASA-N 1 1 190.290 2.078 10 0 AEAEMO CCN1CC[C@H]([NH2+]CC(C)C)C[C@H]1C 242648967 167223999 /nfs/dbraw/zinc/22/39/99/167223999.db2.gz RNONHBHBBYVJNF-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@H+]1CC[C@H](CC(F)(F)F)C1 306710436 167225427 /nfs/dbraw/zinc/22/54/27/167225427.db2.gz MRNYOJWQFCAOFY-SSDOTTSWSA-N 1 1 181.201 2.281 10 0 AEAEMO CC[N@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 334468469 167226040 /nfs/dbraw/zinc/22/60/40/167226040.db2.gz GDMRBPVNKVIUKP-CMPLNLGQSA-N 1 1 190.290 2.484 10 0 AEAEMO CC[N@H+]1C[C@H](C)NC[C@@H]1CC(C)(C)C 83343032 167226162 /nfs/dbraw/zinc/22/61/62/167226162.db2.gz ZWSITBQZDZPQLF-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CCN1C[C@H](C)[NH2+]C[C@@H]1CC(C)(C)C 83343032 167226163 /nfs/dbraw/zinc/22/61/63/167226163.db2.gz ZWSITBQZDZPQLF-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@H+]1C[C@H](C)C[C@H]1c1cccnc1 334468471 167226185 /nfs/dbraw/zinc/22/61/85/167226185.db2.gz GDMRBPVNKVIUKP-PWSUYJOCSA-N 1 1 190.290 2.484 10 0 AEAEMO CC[N@H+]1C[C@H](C)C[C@@H]1c1cccnc1 334468472 167226815 /nfs/dbraw/zinc/22/68/15/167226815.db2.gz GDMRBPVNKVIUKP-ZYHUDNBSSA-N 1 1 190.290 2.484 10 0 AEAEMO CC[N@H+]1C[C@@H](C)NC[C@@H]1CC(C)(C)C 83343033 167226857 /nfs/dbraw/zinc/22/68/57/167226857.db2.gz ZWSITBQZDZPQLF-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CCN1C[C@@H](C)[NH2+]C[C@@H]1CC(C)(C)C 83343033 167226860 /nfs/dbraw/zinc/22/68/60/167226860.db2.gz ZWSITBQZDZPQLF-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@H+]1C[C@H]2CC[C@@](C)(C1)OC2(C)C 33868479 167226998 /nfs/dbraw/zinc/22/69/98/167226998.db2.gz WJKZCKQDSZOPSK-PWSUYJOCSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[N@H+]1C[C@@H](C)C[C@H]1c1cccnc1 334468470 167227899 /nfs/dbraw/zinc/22/78/99/167227899.db2.gz GDMRBPVNKVIUKP-JQWIXIFHSA-N 1 1 190.290 2.484 10 0 AEAEMO CC[NH2+]C(C)(C)c1nc(C(C)C)no1 61151334 167254804 /nfs/dbraw/zinc/25/48/04/167254804.db2.gz GHFDOSLIWJYQLT-UHFFFAOYSA-N 1 1 197.282 2.038 10 0 AEAEMO CCNC(C)(C)C[NH+]1CCCCCC1 61299593 167256593 /nfs/dbraw/zinc/25/65/93/167256593.db2.gz DEJVUCSGBLDIGV-UHFFFAOYSA-N 1 1 198.354 2.251 10 0 AEAEMO CC[NH2+]C1CCN(CC(C)(C)C)CC1 40494670 167259857 /nfs/dbraw/zinc/25/98/57/167259857.db2.gz LTNSOSFLICKTBF-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[NH2+]CCC[N@H+]1[C@@H](C)CCC[C@H]1C 42409326 167260808 /nfs/dbraw/zinc/26/08/08/167260808.db2.gz VIWVJCAYGZKOFR-TXEJJXNPSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[NH2+]CCC[N@@H+](CC1CC1)C(C)C 42590350 167261119 /nfs/dbraw/zinc/26/11/19/167261119.db2.gz OGVWIMMLZVVGQR-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[NH2+]CCC[N@H+]1CCC[C@@H](C)[C@@H]1C 50566560 167261188 /nfs/dbraw/zinc/26/11/88/167261188.db2.gz CWMCTDFDCHUQGU-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[NH2+]CCC[N@@H+](CC(C)C)C1CC1 42559269 167261247 /nfs/dbraw/zinc/26/12/47/167261247.db2.gz PLDXGFSUCCBIRY-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[NH2+]CCC[N@@H+](C)C(CC)CC 42409622 167261265 /nfs/dbraw/zinc/26/12/65/167261265.db2.gz VVZZXJAENDZQAU-UHFFFAOYSA-N 1 1 186.343 2.106 10 0 AEAEMO CC[NH2+]CCC[N@@H+](CC)C1CCCC1 42409566 167261317 /nfs/dbraw/zinc/26/13/17/167261317.db2.gz NGJYTUGGCHUVEW-UHFFFAOYSA-N 1 1 198.354 2.251 10 0 AEAEMO CC[NH2+]CC1(CN(C)C)CCCCC1 51214416 167261825 /nfs/dbraw/zinc/26/18/25/167261825.db2.gz UICJDUYDGTXRFT-UHFFFAOYSA-N 1 1 198.354 2.108 10 0 AEAEMO CC[NH2+]CCC[N@H+]1CCC[C@H](C)[C@@H]1C 50566559 167262215 /nfs/dbraw/zinc/26/22/15/167262215.db2.gz CWMCTDFDCHUQGU-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[NH2+]CCC[N@@H+](CC)[C@H](C)CC 42409471 167262764 /nfs/dbraw/zinc/26/27/64/167262764.db2.gz CETRDIFYDHZKHS-LLVKDONJSA-N 1 1 186.343 2.106 10 0 AEAEMO CC[NH2+]CCC[N@@H+](CC)[C@@H](C)CC 42409472 167263865 /nfs/dbraw/zinc/26/38/65/167263865.db2.gz CETRDIFYDHZKHS-NSHDSACASA-N 1 1 186.343 2.106 10 0 AEAEMO CCNCC[N@H+](CC)C1CCCCC1 42409243 167266168 /nfs/dbraw/zinc/26/61/68/167266168.db2.gz QKWKXEQJQAVXDJ-UHFFFAOYSA-N 1 1 198.354 2.251 10 0 AEAEMO CCNCC[N@@H+](CC)C1CCCCC1 42409243 167266169 /nfs/dbraw/zinc/26/61/69/167266169.db2.gz QKWKXEQJQAVXDJ-UHFFFAOYSA-N 1 1 198.354 2.251 10 0 AEAEMO CCNCC[N@H+](C)[C@@H]1CCCC[C@@H]1C 42609943 167266918 /nfs/dbraw/zinc/26/69/18/167266918.db2.gz WWCXXFWQKOVPPV-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCNCC[N@@H+](C)[C@@H]1CCCC[C@@H]1C 42609943 167266919 /nfs/dbraw/zinc/26/69/19/167266919.db2.gz WWCXXFWQKOVPPV-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCNCC[N@H+](C)[C@H]1CCCC[C@@H]1C 42609944 167266927 /nfs/dbraw/zinc/26/69/27/167266927.db2.gz WWCXXFWQKOVPPV-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCNCC[N@@H+](C)[C@H]1CCCC[C@@H]1C 42609944 167266932 /nfs/dbraw/zinc/26/69/32/167266932.db2.gz WWCXXFWQKOVPPV-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[NH2+]C[C@@](C)(CC)CN(C)C1CC1 51215205 167272008 /nfs/dbraw/zinc/27/20/08/167272008.db2.gz KTWCMXFPOPXSNJ-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[NH2+]C[C@](C)(CC)CN(C)C1CC1 51215204 167275861 /nfs/dbraw/zinc/27/58/61/167275861.db2.gz KTWCMXFPOPXSNJ-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[NH2+]Cc1nnc(C(CC)CC)o1 50615581 167278484 /nfs/dbraw/zinc/27/84/84/167278484.db2.gz GTKSPVOUMTZEBW-UHFFFAOYSA-N 1 1 197.282 2.083 10 0 AEAEMO CCN[C@@H](C)C[N@H+](C)C(CC)CC 43896044 167281945 /nfs/dbraw/zinc/28/19/45/167281945.db2.gz DRVOHGTXUULGJA-JTQLQIEISA-N 1 1 186.343 2.105 10 0 AEAEMO CCN[C@@H](C)C[N@@H+](C)C(CC)CC 43896044 167281949 /nfs/dbraw/zinc/28/19/49/167281949.db2.gz DRVOHGTXUULGJA-JTQLQIEISA-N 1 1 186.343 2.105 10 0 AEAEMO CCN[C@@H](C)[C@@H](C)[N@H+](C)C1CCCC1 43884124 167283892 /nfs/dbraw/zinc/28/38/92/167283892.db2.gz BBGIHIOFZFXSLB-WDEREUQCSA-N 1 1 198.354 2.247 10 0 AEAEMO CCN[C@@H](C)[C@@H](C)[N@@H+](C)C1CCCC1 43884124 167283894 /nfs/dbraw/zinc/28/38/94/167283894.db2.gz BBGIHIOFZFXSLB-WDEREUQCSA-N 1 1 198.354 2.247 10 0 AEAEMO CCN[C@@H](C)C[NH+]1CCCCCCC1 44471827 167284865 /nfs/dbraw/zinc/28/48/65/167284865.db2.gz HGXQTXQQNAOWJC-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCN[C@@H](C)[C@H](C)[N@H+](C)[C@@H](C)C1CC1 43895087 167284967 /nfs/dbraw/zinc/28/49/67/167284967.db2.gz IXYPMHUDTFWVIL-DCAQKATOSA-N 1 1 198.354 2.103 10 0 AEAEMO CCN[C@@H](C)[C@H](C)[N@@H+](C)[C@@H](C)C1CC1 43895087 167284968 /nfs/dbraw/zinc/28/49/68/167284968.db2.gz IXYPMHUDTFWVIL-DCAQKATOSA-N 1 1 198.354 2.103 10 0 AEAEMO CCN[C@@H](C)[C@H](C)[N@H+](C)C1CCCC1 43884128 167285179 /nfs/dbraw/zinc/28/51/79/167285179.db2.gz BBGIHIOFZFXSLB-QWRGUYRKSA-N 1 1 198.354 2.247 10 0 AEAEMO CCN[C@@H](C)[C@H](C)[N@@H+](C)C1CCCC1 43884128 167285183 /nfs/dbraw/zinc/28/51/83/167285183.db2.gz BBGIHIOFZFXSLB-QWRGUYRKSA-N 1 1 198.354 2.247 10 0 AEAEMO CCN[C@@H](C)[C@@H](C)[N@H+](C)[C@@H](C)C1CC1 43895083 167285447 /nfs/dbraw/zinc/28/54/47/167285447.db2.gz IXYPMHUDTFWVIL-AXFHLTTASA-N 1 1 198.354 2.103 10 0 AEAEMO CCN[C@@H](C)[C@@H](C)[N@@H+](C)[C@@H](C)C1CC1 43895083 167285448 /nfs/dbraw/zinc/28/54/48/167285448.db2.gz IXYPMHUDTFWVIL-AXFHLTTASA-N 1 1 198.354 2.103 10 0 AEAEMO CC[NH2+][C@@H](CC)[C@H](C)N1CCC[C@@H]1C 43903060 167286867 /nfs/dbraw/zinc/28/68/67/167286867.db2.gz CIFLCKHXHZALAU-SRVKXCTJSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[NH2+][C@@H](CC)[C@@H](C)N1CCC[C@@H]1C 43903052 167288497 /nfs/dbraw/zinc/28/84/97/167288497.db2.gz CIFLCKHXHZALAU-TUAOUCFPSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[NH2+][C@@H]1CCC[C@H]1N1CCC[C@@H]1C 43903000 167290275 /nfs/dbraw/zinc/29/02/75/167290275.db2.gz KJBLSFAVCIRYKH-QJPTWQEYSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[NH2+][C@@H]1CCN(C2CCC2)[C@H](C)C1 52210805 167291004 /nfs/dbraw/zinc/29/10/04/167291004.db2.gz LOOYVEQIEXAJBM-GHMZBOCLSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[NH2+][C@@H]1CCCC[C@@H]1N1CCCC1 43807457 167291191 /nfs/dbraw/zinc/29/11/91/167291191.db2.gz VTYCFSZXMLJESQ-NEPJUHHUSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[NH2+][C@@H]1CCC[C@@H]1N1CCC[C@@H]1C 43902992 167291318 /nfs/dbraw/zinc/29/13/18/167291318.db2.gz KJBLSFAVCIRYKH-TUAOUCFPSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[NH2+][C@@H]1CCCC[C@H]1N1CCCC1 43807461 167291445 /nfs/dbraw/zinc/29/14/45/167291445.db2.gz VTYCFSZXMLJESQ-VXGBXAGGSA-N 1 1 196.338 2.003 10 0 AEAEMO CCN[C@H](C)[C@@H](C)[N@H+](C)[C@@H](C)C1CC1 43895085 167295638 /nfs/dbraw/zinc/29/56/38/167295638.db2.gz IXYPMHUDTFWVIL-MXWKQRLJSA-N 1 1 198.354 2.103 10 0 AEAEMO CCN[C@H](C)[C@@H](C)[N@@H+](C)[C@@H](C)C1CC1 43895085 167295639 /nfs/dbraw/zinc/29/56/39/167295639.db2.gz IXYPMHUDTFWVIL-MXWKQRLJSA-N 1 1 198.354 2.103 10 0 AEAEMO CCN[C@H](C)[C@H](C)[N@H+](C)C1CCCC1 43884130 167295942 /nfs/dbraw/zinc/29/59/42/167295942.db2.gz BBGIHIOFZFXSLB-MNOVXSKESA-N 1 1 198.354 2.247 10 0 AEAEMO CCN[C@H](C)[C@H](C)[N@@H+](C)C1CCCC1 43884130 167295945 /nfs/dbraw/zinc/29/59/45/167295945.db2.gz BBGIHIOFZFXSLB-MNOVXSKESA-N 1 1 198.354 2.247 10 0 AEAEMO CCN[C@H](C)C[N@H+](CC)[C@@H](C)CC 43888808 167296070 /nfs/dbraw/zinc/29/60/70/167296070.db2.gz AUIYNAIVMQRJBD-MNOVXSKESA-N 1 1 186.343 2.105 10 0 AEAEMO CCN[C@H](C)C[N@@H+](CC)[C@@H](C)CC 43888808 167296072 /nfs/dbraw/zinc/29/60/72/167296072.db2.gz AUIYNAIVMQRJBD-MNOVXSKESA-N 1 1 186.343 2.105 10 0 AEAEMO CC[NH2+][C@H](C)[C@H](C)N1CCC[C@@H]1CC 43904736 167296560 /nfs/dbraw/zinc/29/65/60/167296560.db2.gz AYMQFIBHMKJTNW-WOPDTQHZSA-N 1 1 198.354 2.247 10 0 AEAEMO CCN[C@H](C)[C@@H](C)[N@H+](C)C1CCCC1 43884126 167296574 /nfs/dbraw/zinc/29/65/74/167296574.db2.gz BBGIHIOFZFXSLB-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO CCN[C@H](C)[C@@H](C)[N@@H+](C)C1CCCC1 43884126 167296578 /nfs/dbraw/zinc/29/65/78/167296578.db2.gz BBGIHIOFZFXSLB-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO CCN[C@H](C)C[N@H+](C)C(CC)CC 43896042 167296731 /nfs/dbraw/zinc/29/67/31/167296731.db2.gz DRVOHGTXUULGJA-SNVBAGLBSA-N 1 1 186.343 2.105 10 0 AEAEMO CCN[C@H](C)C[N@@H+](C)C(CC)CC 43896042 167296733 /nfs/dbraw/zinc/29/67/33/167296733.db2.gz DRVOHGTXUULGJA-SNVBAGLBSA-N 1 1 186.343 2.105 10 0 AEAEMO CCN[C@H](C)C[NH+]1CCCCCCC1 44471830 167296890 /nfs/dbraw/zinc/29/68/90/167296890.db2.gz HGXQTXQQNAOWJC-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CCN[C@H](C)[C@H](C)[N@H+](C)[C@@H](C)C1CC1 43895088 167297273 /nfs/dbraw/zinc/29/72/73/167297273.db2.gz IXYPMHUDTFWVIL-VWYCJHECSA-N 1 1 198.354 2.103 10 0 AEAEMO CCN[C@H](C)[C@H](C)[N@@H+](C)[C@@H](C)C1CC1 43895088 167297274 /nfs/dbraw/zinc/29/72/74/167297274.db2.gz IXYPMHUDTFWVIL-VWYCJHECSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[NH2+][C@H](CC)CN1CCC[C@@H]1CC 50179408 167297810 /nfs/dbraw/zinc/29/78/10/167297810.db2.gz XNRPNAACUJAQKQ-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[NH2+][C@H](CC)[C@H](C)N1CCC[C@@H]1C 43903064 167299214 /nfs/dbraw/zinc/29/92/14/167299214.db2.gz CIFLCKHXHZALAU-SDDRHHMPSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[NH2+][C@H](CC)[C@@H](C)N1CCC[C@@H]1C 43903056 167299679 /nfs/dbraw/zinc/29/96/79/167299679.db2.gz CIFLCKHXHZALAU-QJPTWQEYSA-N 1 1 198.354 2.247 10 0 AEAEMO CCN[C@H]1CC[N@@H+]([C@@H](CC)C(C)C)C1 42590164 167300311 /nfs/dbraw/zinc/30/03/11/167300311.db2.gz FHCLSQPPYKGHFU-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCN[C@H]1CC[N@H+]([C@@H](CC)C(C)C)C1 42590164 167300314 /nfs/dbraw/zinc/30/03/14/167300314.db2.gz FHCLSQPPYKGHFU-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[NH2+][C@H]1CCN(C2CCC2)[C@H](C)C1 52210808 167300730 /nfs/dbraw/zinc/30/07/30/167300730.db2.gz LOOYVEQIEXAJBM-MNOVXSKESA-N 1 1 196.338 2.001 10 0 AEAEMO CC[NH2+][C@H]1CCC[C@@H]1N1CCC[C@@H]1C 43902996 167300994 /nfs/dbraw/zinc/30/09/94/167300994.db2.gz KJBLSFAVCIRYKH-SRVKXCTJSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[NH2+][C@H]1CCCC[C@H]1N1CCCC1 43807463 167301098 /nfs/dbraw/zinc/30/10/98/167301098.db2.gz VTYCFSZXMLJESQ-NWDGAFQWSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[NH2+][C@H]1CCCC[C@@H]1N1CCCC1 43807459 167301136 /nfs/dbraw/zinc/30/11/36/167301136.db2.gz VTYCFSZXMLJESQ-RYUDHWBXSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[NH2+][C@H]1CCC[C@H]1N1CCC[C@@H]1C 43903004 167302427 /nfs/dbraw/zinc/30/24/27/167302427.db2.gz KJBLSFAVCIRYKH-SDDRHHMPSA-N 1 1 196.338 2.001 10 0 AEAEMO CCNc1cc(C)[nH+]c(CC(C)C)n1 50848749 167306648 /nfs/dbraw/zinc/30/66/48/167306648.db2.gz NNIXHYUKJXOVKQ-UHFFFAOYSA-N 1 1 193.294 2.415 10 0 AEAEMO CCNc1ccc[nH+]c1N1CCCC1 36934134 167308540 /nfs/dbraw/zinc/30/85/40/167308540.db2.gz MUQYYSMTXXHFPW-UHFFFAOYSA-N 1 1 191.278 2.114 10 0 AEAEMO CCNc1cccc(CC)[nH+]1 39123510 167309457 /nfs/dbraw/zinc/30/94/57/167309457.db2.gz UYEKHNCKLMEBRX-UHFFFAOYSA-N 1 1 150.225 2.076 10 0 AEAEMO CCNc1ccc2c(c1)[nH+]cn2C 77265862 167310609 /nfs/dbraw/zinc/31/06/09/167310609.db2.gz LWZBOEIPEHXCIG-UHFFFAOYSA-N 1 1 175.235 2.005 10 0 AEAEMO CCNc1ccc(NC2CC2)[nH+]c1 41626187 167310945 /nfs/dbraw/zinc/31/09/45/167310945.db2.gz XJBNZFZYKTUYCQ-UHFFFAOYSA-N 1 1 177.251 2.088 10 0 AEAEMO CCNc1ccc(NC(C)C)[nH+]c1 41626374 167311131 /nfs/dbraw/zinc/31/11/31/167311131.db2.gz SJTXYNQDSZPPAY-UHFFFAOYSA-N 1 1 179.267 2.334 10 0 AEAEMO CCN1CCC[C@@H]([C@@H](C)[NH2+]C(C)C)C1 37208661 167208644 /nfs/dbraw/zinc/20/86/44/167208644.db2.gz OGTKUXDUHVQSAF-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCNc1nc(C)[nH+]c(C)c1CC 50849511 167311598 /nfs/dbraw/zinc/31/15/98/167311598.db2.gz VOCXDCFFUQEZGU-UHFFFAOYSA-N 1 1 179.267 2.088 10 0 AEAEMO CCNc1[nH]c2ccc(C)cc2[nH+]1 71418589 167313134 /nfs/dbraw/zinc/31/31/34/167313134.db2.gz UUTBOFBEEOIVMK-UHFFFAOYSA-N 1 1 175.235 2.303 10 0 AEAEMO CCNc1[nH+]ccc2c(N)cccc12 82753931 167313964 /nfs/dbraw/zinc/31/39/64/167313964.db2.gz NZIMCAGXRIJVEW-UHFFFAOYSA-N 1 1 187.246 2.249 10 0 AEAEMO CCOC(=[NH2+])c1ccc(OC)c(C)c1 50597264 167317433 /nfs/dbraw/zinc/31/74/33/167317433.db2.gz OOASMNLCWIQZGR-UHFFFAOYSA-N 1 1 193.246 2.365 10 0 AEAEMO CCOC(=[NH2+])c1cc(C)c(O)c(C)c1 37928155 167317568 /nfs/dbraw/zinc/31/75/68/167317568.db2.gz JPXOIRVDGYPRBX-UHFFFAOYSA-N 1 1 193.246 2.371 10 0 AEAEMO CCOC(=[NH2+])[C@@H](C)CC 51690517 167318406 /nfs/dbraw/zinc/31/84/06/167318406.db2.gz UQHLOMKXLAUTCG-LURJTMIESA-N 1 1 129.203 2.046 10 0 AEAEMO CCOC(=[NH2+])[C@H](C)CC 51690516 167319503 /nfs/dbraw/zinc/31/95/03/167319503.db2.gz UQHLOMKXLAUTCG-ZCFIWIBFSA-N 1 1 129.203 2.046 10 0 AEAEMO CCOCCCNc1[nH+]cccc1C 51040883 167385666 /nfs/dbraw/zinc/38/56/66/167385666.db2.gz AOHHIQKRDXIYCP-UHFFFAOYSA-N 1 1 194.278 2.229 10 0 AEAEMO CCOC[C@H](C)Nc1[nH+]cccc1C 51041178 167397024 /nfs/dbraw/zinc/39/70/24/167397024.db2.gz IMZBGXAXWXZAGX-JTQLQIEISA-N 1 1 194.278 2.227 10 0 AEAEMO CCOC[C@@H](C)Nc1[nH+]cccc1C 51041177 167397043 /nfs/dbraw/zinc/39/70/43/167397043.db2.gz IMZBGXAXWXZAGX-SNVBAGLBSA-N 1 1 194.278 2.227 10 0 AEAEMO CCOC[C@@H](C)Nc1ccc(C)c[nH+]1 44726101 167397751 /nfs/dbraw/zinc/39/77/51/167397751.db2.gz LBSDYORHNQLAMF-SNVBAGLBSA-N 1 1 194.278 2.227 10 0 AEAEMO CCOC[C@H](C)Nc1ccc(C)c[nH+]1 44726102 167397960 /nfs/dbraw/zinc/39/79/60/167397960.db2.gz LBSDYORHNQLAMF-JTQLQIEISA-N 1 1 194.278 2.227 10 0 AEAEMO CC[C@@H](C)[N@@H+](CCO)C1CCCCC1 50106376 167467503 /nfs/dbraw/zinc/46/75/03/167467503.db2.gz KYDLJIHLGZYOCL-LLVKDONJSA-N 1 1 199.338 2.412 10 0 AEAEMO CC[C@@H](C)[C@@H](N)C[N@H+]1CCCC[C@@H]1C 20071567 167489775 /nfs/dbraw/zinc/48/97/75/167489775.db2.gz UPHAKGNVTOTRGH-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)[C@@H]([NH3+])CN1CCCC[C@@H]1C 20071567 167489781 /nfs/dbraw/zinc/48/97/81/167489781.db2.gz UPHAKGNVTOTRGH-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)[C@H](C)[N@H+]1CCCC[C@@H]1CN 44539453 167490412 /nfs/dbraw/zinc/49/04/12/167490412.db2.gz PLRGWMLPRHVYMR-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)[C@H](N)C[N@H+]1CCCC[C@@H]1C 20071572 167494555 /nfs/dbraw/zinc/49/45/55/167494555.db2.gz UPHAKGNVTOTRGH-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)[C@H]([NH3+])CN1CCCC[C@@H]1C 20071572 167494561 /nfs/dbraw/zinc/49/45/61/167494561.db2.gz UPHAKGNVTOTRGH-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)c1cccc(N)[nH+]1 82408367 167497612 /nfs/dbraw/zinc/49/76/12/167497612.db2.gz CMYJFXHUXYMLBL-SSDOTTSWSA-N 1 1 150.225 2.177 10 0 AEAEMO CC[C@@H](CN)[N@@H+](C)[C@@H](C)C(C)(C)C 42741862 167510924 /nfs/dbraw/zinc/51/09/24/167510924.db2.gz KHRNSWPKHBRNKF-UWVGGRQHSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@H](CN)[N@@H+](CC(C)C)C(C)C 42579665 167511185 /nfs/dbraw/zinc/51/11/85/167511185.db2.gz COOGOVGIYBPZAF-NSHDSACASA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@@H](O)[C@@H](C)[N@H+]1C[C@@H](C)C[C@@H](C)C1 44113859 167540085 /nfs/dbraw/zinc/54/00/85/167540085.db2.gz NBTZKADFICMOIR-WRWGMCAJSA-N 1 1 199.338 2.124 10 0 AEAEMO CC[C@@H]1CCCC[C@@H]1[N@H+]1CCC(=O)C1 42580468 167546610 /nfs/dbraw/zinc/54/66/10/167546610.db2.gz RSUOHPFDWRPFQM-PWSUYJOCSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@@H]1CC[N@H+]1C[C@@H]1CCC(C)(C)O1 336276348 167554310 /nfs/dbraw/zinc/55/43/10/167554310.db2.gz CAERHVFFIFZFQX-MNOVXSKESA-N 1 1 197.322 2.428 10 0 AEAEMO CC[C@@H]1CC[C@@H](O)[C@H]([N@@H+](C)C2CC2)C1 44129366 167557164 /nfs/dbraw/zinc/55/71/64/167557164.db2.gz HPHOEFGLPVBCFY-YUSALJHKSA-N 1 1 197.322 2.020 10 0 AEAEMO CC[C@@](C)(CO)C[N@H+]1CCCC[C@@H]1C 51291678 167574904 /nfs/dbraw/zinc/57/49/04/167574904.db2.gz JMDDJQQRDFZPQW-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@](C)(CO)C[N@@H+](C)[C@@H](C)C1CC1 51293461 167575977 /nfs/dbraw/zinc/57/59/77/167575977.db2.gz HUOMHMJQFWKYNI-CMPLNLGQSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](C)COc1ccc(C)[nH+]c1N 50441037 167602146 /nfs/dbraw/zinc/60/21/46/167602146.db2.gz UAZWXIFWYGGHRP-QMMMGPOBSA-N 1 1 194.278 2.397 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@](C)(CN)C(C)C 41053617 167605532 /nfs/dbraw/zinc/60/55/32/167605532.db2.gz RELAGIMEYSFNPE-QWRGUYRKSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H](C)[C@H]([NH3+])c1nc(C(C)C)no1 21026013 167631198 /nfs/dbraw/zinc/63/11/98/167631198.db2.gz YYACQCRWDMFKRH-YUMQZZPRSA-N 1 1 197.282 2.239 10 0 AEAEMO CC[C@H](O)C[N@@H+](C)[C@@H](C)CC(C)C 42589412 167665326 /nfs/dbraw/zinc/66/53/26/167665326.db2.gz LKHOCGKMDQNJIB-QWRGUYRKSA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@H](O)[C@@H](C)[N@H+]1CCCC[C@@H]1C 44116238 167670276 /nfs/dbraw/zinc/67/02/76/167670276.db2.gz FJNPGBXWQSRVRF-AXFHLTTASA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@H](O)[C@@H](C)[N@H+]1C[C@@H](C)C[C@@H](C)C1 44113856 167670882 /nfs/dbraw/zinc/67/08/82/167670882.db2.gz NBTZKADFICMOIR-KXNHARMFSA-N 1 1 199.338 2.124 10 0 AEAEMO CC[C@H](O)[C@@H](C)[N@@H+](C)C1CCCC1 44128678 167671275 /nfs/dbraw/zinc/67/12/75/167671275.db2.gz FEXCXKOJHFVKKE-KOLCDFICSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1[C@@H](CN)C(C)C 37082988 167674872 /nfs/dbraw/zinc/67/48/72/167674872.db2.gz XBFAZEPZLGVZSD-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]1C[N@@H+](CC(C)C)[C@H](CC)CN1 82936521 167693026 /nfs/dbraw/zinc/69/30/26/167693026.db2.gz BXQGJLCRTBTDAN-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@](C)(CN)[N@H+]1C[C@@H](C)C[C@@H](C)C1 19513634 167702248 /nfs/dbraw/zinc/70/22/48/167702248.db2.gz CGDRSVOGDZRYOP-GRYCIOLGSA-N 1 1 198.354 2.092 10 0 AEAEMO CCc1ccc(C)[nH+]c1C 5140316 167731720 /nfs/dbraw/zinc/73/17/20/167731720.db2.gz VSLXJOHTVOZTNF-UHFFFAOYSA-N 1 1 135.210 2.261 10 0 AEAEMO CCc1ccc([C@H]2[NH2+]CCS2)o1 51723000 167745642 /nfs/dbraw/zinc/74/56/42/167745642.db2.gz SZNABGQIFNWNDV-VIFPVBQESA-N 1 1 183.276 2.177 10 0 AEAEMO CCc1[nH+]ccc(OC2CC2)c1OC 95719769 167778542 /nfs/dbraw/zinc/77/85/42/167778542.db2.gz RXHNJOUPFROLTG-UHFFFAOYSA-N 1 1 193.246 2.194 10 0 AEAEMO C[N@H+](Cc1ccccc1N)CC1CC1 37865094 167889413 /nfs/dbraw/zinc/88/94/13/167889413.db2.gz CIAYLRAIGOJXOS-UHFFFAOYSA-N 1 1 190.290 2.111 10 0 AEAEMO C[N@@H+]1C(C)(C)C=CCC1(C)C 1482048 167898083 /nfs/dbraw/zinc/89/80/83/167898083.db2.gz IBMCQJYLPXUOKM-UHFFFAOYSA-N 1 1 153.269 2.435 10 0 in-man AEAEMO C[N@H+]1CCC[C@@H]1Cc1cccc(O)c1 145431126 167906534 /nfs/dbraw/zinc/90/65/34/167906534.db2.gz YUOONPHJWMUTKO-LLVKDONJSA-N 1 1 191.274 2.029 10 0 AEAEMO C[N@H+]1CCC[C@@H]1Cc1ccc(O)cc1 71494194 167906634 /nfs/dbraw/zinc/90/66/34/167906634.db2.gz TYKGRSNVFNBOTB-LLVKDONJSA-N 1 1 191.274 2.029 10 0 AEAEMO C[N@H+]1CCC[C@H](c2cccc(N)c2)C1 75906217 167907894 /nfs/dbraw/zinc/90/78/94/167907894.db2.gz GXNUWDHDKDASJU-NSHDSACASA-N 1 1 190.290 2.078 10 0 AEAEMO C[N@H+]1CCC[C@H]1c1ccc(N)cc1 71494105 167911042 /nfs/dbraw/zinc/91/10/42/167911042.db2.gz CIYLDWFAOSBJSA-NSHDSACASA-N 1 1 176.263 2.036 10 0 AEAEMO C[N@H+]1CCCc2ccccc2C1 6625760 167911444 /nfs/dbraw/zinc/91/14/44/167911444.db2.gz WYXGDJDZARDNJX-UHFFFAOYSA-N 1 1 161.248 2.065 10 0 AEAEMO C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 39437195 167928239 /nfs/dbraw/zinc/92/82/39/167928239.db2.gz MMCXKYPKYQMCRM-VHSXEESVSA-N 1 1 153.269 2.128 10 0 AEAEMO CNC[C@@H](C)[N@H+](C)C1CCCCCC1 52481974 168003194 /nfs/dbraw/zinc/00/31/94/168003194.db2.gz PVCCSOHRLXIJNA-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CNC[C@@H](C)[N@@H+](C)C1CCCCCC1 52481974 168003195 /nfs/dbraw/zinc/00/31/95/168003195.db2.gz PVCCSOHRLXIJNA-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CNC[C@@H](C(C)C)[NH+]1CCCCCC1 52381725 168003238 /nfs/dbraw/zinc/00/32/38/168003238.db2.gz GJCUBLWPGIQSHF-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CNC[C@@H](C)[N@H+](C)C1CCC(C)CC1 52345310 168003564 /nfs/dbraw/zinc/00/35/64/168003564.db2.gz IUBMOXMLWNBRMS-MOENNCHZSA-N 1 1 198.354 2.105 10 0 AEAEMO CNC[C@@H](C)[N@@H+](C)C1CCC(C)CC1 52345310 168003567 /nfs/dbraw/zinc/00/35/67/168003567.db2.gz IUBMOXMLWNBRMS-MOENNCHZSA-N 1 1 198.354 2.105 10 0 AEAEMO CNC[C@@H](C(C)C)[N@@H+]1CCCC[C@@H]1C 52378476 168004231 /nfs/dbraw/zinc/00/42/31/168004231.db2.gz TUHSXGXDZJZEAZ-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CNC[C@@H](C(C)C)[N@H+]1CCCC[C@@H]1C 52378476 168004233 /nfs/dbraw/zinc/00/42/33/168004233.db2.gz TUHSXGXDZJZEAZ-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CNC[C@H](C)[N@H+](C)C1CCC(C)CC1 52345309 168009309 /nfs/dbraw/zinc/00/93/09/168009309.db2.gz IUBMOXMLWNBRMS-CXQJBGSLSA-N 1 1 198.354 2.105 10 0 AEAEMO CNC[C@H](C)[N@@H+](C)C1CCC(C)CC1 52345309 168009310 /nfs/dbraw/zinc/00/93/10/168009310.db2.gz IUBMOXMLWNBRMS-CXQJBGSLSA-N 1 1 198.354 2.105 10 0 AEAEMO CNC[C@H](C)[N@H+](C)C1CCCCCC1 52481973 168010122 /nfs/dbraw/zinc/01/01/22/168010122.db2.gz PVCCSOHRLXIJNA-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO C[NH2+]Cc1ncc(C2CCCCC2)o1 77295469 168022201 /nfs/dbraw/zinc/02/22/01/168022201.db2.gz LQEZBBAGEHKBGG-UHFFFAOYSA-N 1 1 194.278 2.442 10 0 AEAEMO CN[C@@H](C)[C@@H](C)[N@H+](C)C1CCCCC1 43815059 168032049 /nfs/dbraw/zinc/03/20/49/168032049.db2.gz LFFKMSWBLCZSLT-WDEREUQCSA-N 1 1 198.354 2.247 10 0 AEAEMO CN[C@@H](C)[C@@H](C)[N@@H+](C)C1CCCCC1 43815059 168032050 /nfs/dbraw/zinc/03/20/50/168032050.db2.gz LFFKMSWBLCZSLT-WDEREUQCSA-N 1 1 198.354 2.247 10 0 AEAEMO CN[C@@H](C)[C@@H](C)[NH+]1CCCCCCC1 43819169 168032151 /nfs/dbraw/zinc/03/21/51/168032151.db2.gz VSCJSLOHGGLBJH-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CN[C@@H](C)C[N@H+](C)C1CCCCCC1 43899584 168032315 /nfs/dbraw/zinc/03/23/15/168032315.db2.gz VCWSGEKMFWDOEQ-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CN[C@@H](C)C[N@@H+](C)C1CCCCCC1 43899584 168032318 /nfs/dbraw/zinc/03/23/18/168032318.db2.gz VCWSGEKMFWDOEQ-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO C[NH2+][C@@H](C)c1nnc(C2CCCC2)o1 50618603 168033875 /nfs/dbraw/zinc/03/38/75/168033875.db2.gz YYHCNQMJPQEAAV-ZETCQYMHSA-N 1 1 195.266 2.008 10 0 AEAEMO CN[C@@H](C)[C@H](C)[N@H+](C)C1CCCCC1 43815061 168034587 /nfs/dbraw/zinc/03/45/87/168034587.db2.gz LFFKMSWBLCZSLT-QWRGUYRKSA-N 1 1 198.354 2.247 10 0 AEAEMO CN[C@@H](C)[C@H](C)[N@@H+](C)C1CCCCC1 43815061 168034588 /nfs/dbraw/zinc/03/45/88/168034588.db2.gz LFFKMSWBLCZSLT-QWRGUYRKSA-N 1 1 198.354 2.247 10 0 AEAEMO CN[C@@H](C)[C@H](C)[NH+]1CCCCCCC1 43819173 168035513 /nfs/dbraw/zinc/03/55/13/168035513.db2.gz VSCJSLOHGGLBJH-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO C[NH2+][C@@H](CN1CCC[C@@H]1C)C(C)(C)C 43902428 168036199 /nfs/dbraw/zinc/03/61/99/168036199.db2.gz LTPGHUCWIAGKKC-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO C[NH2+][C@@H](c1ccoc1)c1ccc(C)o1 49844648 168038294 /nfs/dbraw/zinc/03/82/94/168038294.db2.gz FWSHKDMOUFMDAK-NSHDSACASA-N 1 1 191.230 2.490 10 0 AEAEMO C[NH2+][C@@H](c1ccoc1)c1ccco1 43607275 168038492 /nfs/dbraw/zinc/03/84/92/168038492.db2.gz VVMAQOLXWQGKLJ-JTQLQIEISA-N 1 1 177.203 2.181 10 0 AEAEMO C[NH2+][C@@H](c1ccco1)c1ccc(C)o1 43607292 168038568 /nfs/dbraw/zinc/03/85/68/168038568.db2.gz LNDJINWODNPQQL-NSHDSACASA-N 1 1 191.230 2.490 10 0 AEAEMO C[NH2+][C@@H]1CCCCC[C@@H]1N1CCCC1 43806982 168038863 /nfs/dbraw/zinc/03/88/63/168038863.db2.gz NSFGOKBBQRJIGY-NEPJUHHUSA-N 1 1 196.338 2.003 10 0 AEAEMO C[NH2+][C@@H](c1ccco1)c1occc1C 43607267 168039507 /nfs/dbraw/zinc/03/95/07/168039507.db2.gz GSXUDQJFKYYKRF-JTQLQIEISA-N 1 1 191.230 2.490 10 0 AEAEMO C[NH2+][C@@H](c1ccco1)c1ccoc1C 43607253 168039921 /nfs/dbraw/zinc/03/99/21/168039921.db2.gz ZGJDBJBKSHLGNJ-LLVKDONJSA-N 1 1 191.230 2.490 10 0 AEAEMO CC[C@@H]1CCCCC[N@H+]1CCCO 134725813 343949273 /nfs/dbraw/zinc/94/92/73/343949273.db2.gz ZYUBLCLEVPNZPW-LLVKDONJSA-N 1 1 185.311 2.023 10 0 AEAEMO CN[C@@H]1CCC[C@@H]1[NH+]1CCCCCC1 43812011 168040301 /nfs/dbraw/zinc/04/03/01/168040301.db2.gz UMWUKRLRBKYFNE-NEPJUHHUSA-N 1 1 196.338 2.003 10 0 AEAEMO CN[C@@H]1CC[N@@H+](C2(C)CCCCC2)C1 45046006 168040506 /nfs/dbraw/zinc/04/05/06/168040506.db2.gz ZTNXDOJDTAGKDD-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CN[C@@H]1CC[N@H+](C2(C)CCCCC2)C1 45046006 168040508 /nfs/dbraw/zinc/04/05/08/168040508.db2.gz ZTNXDOJDTAGKDD-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CN[C@@H]1CCC[C@H]1[NH+]1CCCCCC1 43812013 168040572 /nfs/dbraw/zinc/04/05/72/168040572.db2.gz UMWUKRLRBKYFNE-VXGBXAGGSA-N 1 1 196.338 2.003 10 0 AEAEMO CN[C@@H]1CC[N@@H+](C2CCCCCC2)C1 37242440 168040768 /nfs/dbraw/zinc/04/07/68/168040768.db2.gz REFFFQKGPFYXSV-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CN[C@@H]1CC[N@H+](C2CCCCCC2)C1 37242440 168040770 /nfs/dbraw/zinc/04/07/70/168040770.db2.gz REFFFQKGPFYXSV-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CN[C@@H]1CCC[N@@H+](C2CCCCC2)C1 53201678 168041080 /nfs/dbraw/zinc/04/10/80/168041080.db2.gz HOOFTDKPLLXRIJ-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CN[C@@H]1CCC[N@H+](C2CCCCC2)C1 53201678 168041082 /nfs/dbraw/zinc/04/10/82/168041082.db2.gz HOOFTDKPLLXRIJ-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CN[C@@H]1CCC[C@@H]1[N@H+](C)C1CCCC1 43883574 168041244 /nfs/dbraw/zinc/04/12/44/168041244.db2.gz LVGWRSTWSUSRMI-NEPJUHHUSA-N 1 1 196.338 2.001 10 0 AEAEMO CN[C@@H]1CCC[C@@H]1[N@@H+](C)C1CCCC1 43883574 168041246 /nfs/dbraw/zinc/04/12/46/168041246.db2.gz LVGWRSTWSUSRMI-NEPJUHHUSA-N 1 1 196.338 2.001 10 0 AEAEMO C[NH2+][C@@H]1CCCCC[C@H]1N1CCCC1 43806986 168041417 /nfs/dbraw/zinc/04/14/17/168041417.db2.gz NSFGOKBBQRJIGY-VXGBXAGGSA-N 1 1 196.338 2.003 10 0 AEAEMO CN[C@@H]1CCC[C@H]1[N@H+](C)C1CCCC1 43883578 168042000 /nfs/dbraw/zinc/04/20/00/168042000.db2.gz LVGWRSTWSUSRMI-VXGBXAGGSA-N 1 1 196.338 2.001 10 0 AEAEMO CN[C@@H]1CCC[C@H]1[N@@H+](C)C1CCCC1 43883578 168042003 /nfs/dbraw/zinc/04/20/03/168042003.db2.gz LVGWRSTWSUSRMI-VXGBXAGGSA-N 1 1 196.338 2.001 10 0 AEAEMO CN[C@H](C)[C@@H](C)[NH+]1CCCCCCC1 43819171 168050117 /nfs/dbraw/zinc/05/01/17/168050117.db2.gz VSCJSLOHGGLBJH-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CN[C@H](C)[C@H](C)[NH+]1CCCCCCC1 43819174 168050698 /nfs/dbraw/zinc/05/06/98/168050698.db2.gz VSCJSLOHGGLBJH-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CN[C@H](C)[C@@H](C)[N@H+](C)C1CCCCC1 43815060 168050868 /nfs/dbraw/zinc/05/08/68/168050868.db2.gz LFFKMSWBLCZSLT-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO CN[C@H](C)[C@@H](C)[N@@H+](C)C1CCCCC1 43815060 168050870 /nfs/dbraw/zinc/05/08/70/168050870.db2.gz LFFKMSWBLCZSLT-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO CN[C@H](C)C[N@H+](C)C1CCCCCC1 43899587 168051243 /nfs/dbraw/zinc/05/12/43/168051243.db2.gz VCWSGEKMFWDOEQ-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CN[C@H](C)C[N@@H+](C)C1CCCCCC1 43899587 168051245 /nfs/dbraw/zinc/05/12/45/168051245.db2.gz VCWSGEKMFWDOEQ-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO C[NH2+][C@H](C)c1nc(C2CCCC2)no1 54053242 168051574 /nfs/dbraw/zinc/05/15/74/168051574.db2.gz PQWLPDDIMXPJTD-SSDOTTSWSA-N 1 1 195.266 2.008 10 0 AEAEMO C[NH2+][C@H](C)c1nnc(C2CCCC2)o1 50618604 168052125 /nfs/dbraw/zinc/05/21/25/168052125.db2.gz YYHCNQMJPQEAAV-SSDOTTSWSA-N 1 1 195.266 2.008 10 0 AEAEMO C[NH2+][C@H](c1ccco1)c1ccc(C)o1 43607289 168055089 /nfs/dbraw/zinc/05/50/89/168055089.db2.gz LNDJINWODNPQQL-LLVKDONJSA-N 1 1 191.230 2.490 10 0 AEAEMO C[NH2+][C@H](c1ccco1)c1occc1C 43607265 168055160 /nfs/dbraw/zinc/05/51/60/168055160.db2.gz GSXUDQJFKYYKRF-SNVBAGLBSA-N 1 1 191.230 2.490 10 0 AEAEMO CN[C@H]1CCCC[C@@H]1[N@H+](C)CC(C)C 43886655 168055207 /nfs/dbraw/zinc/05/52/07/168055207.db2.gz PZHQWKSCWCCOMQ-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CN[C@H]1CCCC[C@@H]1[N@@H+](C)CC(C)C 43886655 168055210 /nfs/dbraw/zinc/05/52/10/168055210.db2.gz PZHQWKSCWCCOMQ-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO C[NH2+][C@H]1CCCCC[C@H]1N1CCCC1 43806987 168055251 /nfs/dbraw/zinc/05/52/51/168055251.db2.gz NSFGOKBBQRJIGY-NWDGAFQWSA-N 1 1 196.338 2.003 10 0 AEAEMO C[NH2+][C@H](c1ccoc1)c1ccco1 43607277 168055350 /nfs/dbraw/zinc/05/53/50/168055350.db2.gz VVMAQOLXWQGKLJ-SNVBAGLBSA-N 1 1 177.203 2.181 10 0 AEAEMO C[NH2+][C@H]1CCCCC[C@@H]1N1CCCC1 43806984 168055360 /nfs/dbraw/zinc/05/53/60/168055360.db2.gz NSFGOKBBQRJIGY-RYUDHWBXSA-N 1 1 196.338 2.003 10 0 AEAEMO C[NH2+][C@H](c1ccco1)c1ccoc1C 43607250 168055517 /nfs/dbraw/zinc/05/55/17/168055517.db2.gz ZGJDBJBKSHLGNJ-NSHDSACASA-N 1 1 191.230 2.490 10 0 AEAEMO C[NH2+][C@H](c1ccoc1)c1ccc(C)o1 49844647 168055943 /nfs/dbraw/zinc/05/59/43/168055943.db2.gz FWSHKDMOUFMDAK-LLVKDONJSA-N 1 1 191.230 2.490 10 0 AEAEMO CN[C@H]1CCC[C@H]1[N@H+](C)C1CCCC1 43883580 168057006 /nfs/dbraw/zinc/05/70/06/168057006.db2.gz LVGWRSTWSUSRMI-NWDGAFQWSA-N 1 1 196.338 2.001 10 0 AEAEMO CN[C@H]1CCC[C@H]1[N@@H+](C)C1CCCC1 43883580 168057008 /nfs/dbraw/zinc/05/70/08/168057008.db2.gz LVGWRSTWSUSRMI-NWDGAFQWSA-N 1 1 196.338 2.001 10 0 AEAEMO CN[C@H]1CCC[N@@H+](C2CCCCC2)C1 53201679 168057022 /nfs/dbraw/zinc/05/70/22/168057022.db2.gz HOOFTDKPLLXRIJ-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CN[C@H]1CCC[N@H+](C2CCCCC2)C1 53201679 168057023 /nfs/dbraw/zinc/05/70/23/168057023.db2.gz HOOFTDKPLLXRIJ-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CN[C@H]1CCCC[C@H]1[N@@H+]1CCC[C@@H]1C 43902739 168057189 /nfs/dbraw/zinc/05/71/89/168057189.db2.gz XGIVYOYKNIRUEL-SDDRHHMPSA-N 1 1 196.338 2.001 10 0 AEAEMO CN[C@H]1CCCC[C@H]1[N@H+]1CCC[C@@H]1C 43902739 168057190 /nfs/dbraw/zinc/05/71/90/168057190.db2.gz XGIVYOYKNIRUEL-SDDRHHMPSA-N 1 1 196.338 2.001 10 0 AEAEMO CN[C@H]1CCCC[C@H]1[N@H+](C)CC(C)C 43886653 168057199 /nfs/dbraw/zinc/05/71/99/168057199.db2.gz PZHQWKSCWCCOMQ-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CN[C@H]1CCCC[C@H]1[N@@H+](C)CC(C)C 43886653 168057200 /nfs/dbraw/zinc/05/72/00/168057200.db2.gz PZHQWKSCWCCOMQ-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CN[C@H]1CCC[C@@H]1[N@H+](C)C1CCCC1 43883576 168057689 /nfs/dbraw/zinc/05/76/89/168057689.db2.gz LVGWRSTWSUSRMI-RYUDHWBXSA-N 1 1 196.338 2.001 10 0 AEAEMO CN[C@H]1CCC[C@@H]1[N@@H+](C)C1CCCC1 43883576 168057692 /nfs/dbraw/zinc/05/76/92/168057692.db2.gz LVGWRSTWSUSRMI-RYUDHWBXSA-N 1 1 196.338 2.001 10 0 AEAEMO CN[C@H]1CC[N@@H+](C2(C)CCCCC2)C1 45046004 168057977 /nfs/dbraw/zinc/05/79/77/168057977.db2.gz ZTNXDOJDTAGKDD-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CN[C@H]1CC[N@H+](C2(C)CCCCC2)C1 45046004 168057978 /nfs/dbraw/zinc/05/79/78/168057978.db2.gz ZTNXDOJDTAGKDD-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CN[C@H]1CCC[C@H]1[N@H+](C)[C@@H](C)C(C)C 43895284 168058001 /nfs/dbraw/zinc/05/80/01/168058001.db2.gz VWKCSMVZCFUIFE-SDDRHHMPSA-N 1 1 198.354 2.103 10 0 AEAEMO CN[C@H]1CCC[C@H]1[N@@H+](C)[C@@H](C)C(C)C 43895284 168058003 /nfs/dbraw/zinc/05/80/03/168058003.db2.gz VWKCSMVZCFUIFE-SDDRHHMPSA-N 1 1 198.354 2.103 10 0 AEAEMO CN[C@H]1CCC[C@H]1[NH+]1CCCCCC1 43812014 168058008 /nfs/dbraw/zinc/05/80/08/168058008.db2.gz UMWUKRLRBKYFNE-NWDGAFQWSA-N 1 1 196.338 2.003 10 0 AEAEMO CN[C@H]1CCC[C@@H]1[NH+]1CCCCCC1 43812012 168058126 /nfs/dbraw/zinc/05/81/26/168058126.db2.gz UMWUKRLRBKYFNE-RYUDHWBXSA-N 1 1 196.338 2.003 10 0 AEAEMO CN[C@H]1CC[N@@H+](C2CCCCCC2)C1 37242442 168058353 /nfs/dbraw/zinc/05/83/53/168058353.db2.gz REFFFQKGPFYXSV-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CN[C@H]1CC[N@H+](C2CCCCCC2)C1 37242442 168058356 /nfs/dbraw/zinc/05/83/56/168058356.db2.gz REFFFQKGPFYXSV-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CNc1c(Cl)c[nH+]cc1OC1CC1 95729534 168062392 /nfs/dbraw/zinc/06/23/92/168062392.db2.gz ZPWJQWOHQFESCG-UHFFFAOYSA-N 1 1 198.653 2.318 10 0 AEAEMO CNc1cc(C)[nH+]c(CCC(C)C)n1 50848661 168065627 /nfs/dbraw/zinc/06/56/27/168065627.db2.gz AQEVVMZBYYBSLI-UHFFFAOYSA-N 1 1 193.294 2.415 10 0 AEAEMO CNc1cc(C)[nH+]c(CC(C)C)n1 50848474 168065668 /nfs/dbraw/zinc/06/56/68/168065668.db2.gz YREAEUCJRNXTGE-UHFFFAOYSA-N 1 1 179.267 2.025 10 0 AEAEMO CNc1ccc2c(c1)[nH+]cn2C1CC1 83254518 168067171 /nfs/dbraw/zinc/06/71/71/168067171.db2.gz UYUJZAUCNQTMBB-UHFFFAOYSA-N 1 1 187.246 2.413 10 0 AEAEMO CNc1cc[nH+]c2ccc(F)cc12 50843986 168069103 /nfs/dbraw/zinc/06/91/03/168069103.db2.gz JARHTPDQTUZMFV-UHFFFAOYSA-N 1 1 176.194 2.416 10 0 AEAEMO CNc1cccc2cc[nH+]cc12 82797793 168069297 /nfs/dbraw/zinc/06/92/97/168069297.db2.gz YGFLGEPXZXTJQP-UHFFFAOYSA-N 1 1 158.204 2.277 10 0 AEAEMO CNc1nc(C)[nH+]c(C)c1C(C)C 61687356 168069739 /nfs/dbraw/zinc/06/97/39/168069739.db2.gz ZFUVEHJILKUXKW-UHFFFAOYSA-N 1 1 179.267 2.259 10 0 AEAEMO CNc1[nH+]c2cccc3c2n1CCC3 95924416 168071752 /nfs/dbraw/zinc/07/17/52/168071752.db2.gz ZTQAJXPRZHLWGL-UHFFFAOYSA-N 1 1 187.246 2.024 10 0 AEAEMO CNc1[nH+]cc(C)c2c(N)cccc12 82765762 168072059 /nfs/dbraw/zinc/07/20/59/168072059.db2.gz CIFMZKCRNWIRER-UHFFFAOYSA-N 1 1 187.246 2.167 10 0 AEAEMO CNc1[nH]cc(-c2ccc(F)cc2)[nH+]1 72105395 168072136 /nfs/dbraw/zinc/07/21/36/168072136.db2.gz HIZNDKWHZJVXSQ-UHFFFAOYSA-N 1 1 191.209 2.258 10 0 AEAEMO CNc1[nH+]ccc2c(N)cc(C)cc12 82754043 168072927 /nfs/dbraw/zinc/07/29/27/168072927.db2.gz LEBQSUGHKCVXCE-UHFFFAOYSA-N 1 1 187.246 2.167 10 0 AEAEMO COC(=[NH2+])c1c(C)[nH]c2ccccc12 77274075 168076177 /nfs/dbraw/zinc/07/61/77/168076177.db2.gz FYYROQXKFCTXAF-UHFFFAOYSA-N 1 1 188.230 2.448 10 0 AEAEMO COC(=[NH2+])c1cc(C)cc(C)c1 43393071 168076191 /nfs/dbraw/zinc/07/61/91/168076191.db2.gz GPSQEJKLAPNURZ-UHFFFAOYSA-N 1 1 163.220 2.275 10 0 AEAEMO COC(=[NH2+])c1ccc(OC)c(C)c1C 77277779 168076205 /nfs/dbraw/zinc/07/62/05/168076205.db2.gz CPXSBGYKUPDDBK-UHFFFAOYSA-N 1 1 193.246 2.284 10 0 AEAEMO COC(=[NH2+])Cc1ccc(C)cc1 51753010 168076212 /nfs/dbraw/zinc/07/62/12/168076212.db2.gz VFJYJYKKKDNSIH-UHFFFAOYSA-N 1 1 163.220 2.161 10 0 AEAEMO COC(=[NH2+])[C@H](C)c1ccccc1 34200053 168076233 /nfs/dbraw/zinc/07/62/33/168076233.db2.gz MHUYUZCILQLIPS-MRVPVSSYSA-N 1 1 163.220 2.414 10 0 AEAEMO COC(=[NH2+])Cc1ccccc1C 43560402 168076543 /nfs/dbraw/zinc/07/65/43/168076543.db2.gz VDUSQNBMESTVRP-UHFFFAOYSA-N 1 1 163.220 2.161 10 0 AEAEMO COC(=[NH2+])c1cc(C)c(OC)cc1C 77277753 168076565 /nfs/dbraw/zinc/07/65/65/168076565.db2.gz XHSBGRPFQOXKJR-UHFFFAOYSA-N 1 1 193.246 2.284 10 0 AEAEMO COC(=[NH2+])[C@@H](C)c1ccccc1 34200052 168076762 /nfs/dbraw/zinc/07/67/62/168076762.db2.gz MHUYUZCILQLIPS-QMMMGPOBSA-N 1 1 163.220 2.414 10 0 AEAEMO COC(=[NH2+])c1cccc(C)c1C 43314736 168076783 /nfs/dbraw/zinc/07/67/83/168076783.db2.gz JITTWKCDIMGEMX-UHFFFAOYSA-N 1 1 163.220 2.275 10 0 AEAEMO COC(=[NH2+])c1cc(C)ccc1C 49670076 168076805 /nfs/dbraw/zinc/07/68/05/168076805.db2.gz DYHNKMXVVSUCHT-UHFFFAOYSA-N 1 1 163.220 2.275 10 0 AEAEMO COC(=[NH2+])c1ccc2c(c1)CCC2 77265753 168076836 /nfs/dbraw/zinc/07/68/36/168076836.db2.gz FXYKLUDZHNMLOM-UHFFFAOYSA-N 1 1 175.231 2.147 10 0 AEAEMO COC(=[NH2+])Cc1cc(C)ccc1C 71497301 168077050 /nfs/dbraw/zinc/07/70/50/168077050.db2.gz OPRAVTCYEFSFGP-UHFFFAOYSA-N 1 1 177.247 2.470 10 0 AEAEMO COC(=[NH2+])[C@H]1CCC[C@@H](C)C1 44981275 168077102 /nfs/dbraw/zinc/07/71/02/168077102.db2.gz FLKZPVZCTIABMP-SFYZADRCSA-N 1 1 155.241 2.436 10 0 AEAEMO COC(=[NH2+])Cc1ccc(C)cc1C 71497303 168077259 /nfs/dbraw/zinc/07/72/59/168077259.db2.gz RMMVZZLNWHUPLZ-UHFFFAOYSA-N 1 1 177.247 2.470 10 0 AEAEMO COC(=[NH2+])c1ccc(C)c(C)c1 37928107 168077460 /nfs/dbraw/zinc/07/74/60/168077460.db2.gz GOLQICGCQHPIHG-UHFFFAOYSA-N 1 1 163.220 2.275 10 0 AEAEMO COC(=[NH2+])c1cc(C)n(C2CC2)c1C 77277192 168077529 /nfs/dbraw/zinc/07/75/29/168077529.db2.gz OXQDJYSBTKLZML-UHFFFAOYSA-N 1 1 192.262 2.412 10 0 AEAEMO COC(=[NH2+])Cc1cccc(C)c1 43561212 168077547 /nfs/dbraw/zinc/07/75/47/168077547.db2.gz ZRXGADVDWAHRCI-UHFFFAOYSA-N 1 1 163.220 2.161 10 0 AEAEMO COC(=[NH2+])c1ccc(C)cc1C 37928056 168077602 /nfs/dbraw/zinc/07/76/02/168077602.db2.gz PHUMNRZXEOGGMQ-UHFFFAOYSA-N 1 1 163.220 2.275 10 0 AEAEMO COC(=[NH2+])c1cn(C)c2ccccc12 77274070 168077636 /nfs/dbraw/zinc/07/76/36/168077636.db2.gz AAZADHBZENCCPI-UHFFFAOYSA-N 1 1 188.230 2.150 10 0 AEAEMO COC1(C[N@H+]2CCC[C@H]2C)CCC1 336194607 168143115 /nfs/dbraw/zinc/14/31/15/168143115.db2.gz RWCPBVFATJZMOI-SNVBAGLBSA-N 1 1 183.295 2.040 10 0 AEAEMO COC1(C[N@H+]2CCC23CCC3)CCC1 334785179 168143356 /nfs/dbraw/zinc/14/33/56/168143356.db2.gz APDRQQCGIOPELH-UHFFFAOYSA-N 1 1 195.306 2.184 10 0 AEAEMO COC1(C[N@H+]2CC[C@@H](C)[C@H]2C)CCC1 334650578 168143513 /nfs/dbraw/zinc/14/35/13/168143513.db2.gz CXAFOGAIRUFWDC-GHMZBOCLSA-N 1 1 197.322 2.286 10 0 AEAEMO COC1(C[N@H+]2CC[C@H](C)[C@H]2C)CCC1 334650583 168143596 /nfs/dbraw/zinc/14/35/96/168143596.db2.gz CXAFOGAIRUFWDC-WDEREUQCSA-N 1 1 197.322 2.286 10 0 AEAEMO COC1(C[N@@H+]2C[C@@H](C)[C@@H](C)C2)CCC1 336194646 168143602 /nfs/dbraw/zinc/14/36/02/168143602.db2.gz WAJZRGRCVWAODM-PHIMTYICSA-N 1 1 197.322 2.143 10 0 AEAEMO COC1(C[N@H+]2[C@@H](C)C[C@H]2C)CCCC1 336608515 168143658 /nfs/dbraw/zinc/14/36/58/168143658.db2.gz CVRFDFUCBMCWBZ-PHIMTYICSA-N 1 1 197.322 2.428 10 0 AEAEMO COC1(C[N@H+]2CCC[C@@H]2C)CCC1 336194606 168144323 /nfs/dbraw/zinc/14/43/23/168144323.db2.gz RWCPBVFATJZMOI-JTQLQIEISA-N 1 1 183.295 2.040 10 0 AEAEMO COC1(C[N@H+]2CC[C@@H](C)[C@@H]2C)CCC1 334650579 168144364 /nfs/dbraw/zinc/14/43/64/168144364.db2.gz CXAFOGAIRUFWDC-MNOVXSKESA-N 1 1 197.322 2.286 10 0 AEAEMO COC1(C[N@H+]2CC[C@H](C)[C@@H]2C)CCC1 334650581 168144472 /nfs/dbraw/zinc/14/44/72/168144472.db2.gz CXAFOGAIRUFWDC-QWRGUYRKSA-N 1 1 197.322 2.286 10 0 AEAEMO COCC1=CC[N@H+](C2CCCC2)CC1 334186686 168150870 /nfs/dbraw/zinc/15/08/70/168150870.db2.gz CNNGJRVCCVVRFZ-UHFFFAOYSA-N 1 1 195.306 2.208 10 0 AEAEMO COCCCCNc1ccc(C)c[nH+]1 44659404 168153853 /nfs/dbraw/zinc/15/38/53/168153853.db2.gz FMOBLSNPEQVNBS-UHFFFAOYSA-N 1 1 194.278 2.229 10 0 AEAEMO COCCCCNc1[nH+]cccc1C 51041170 168155454 /nfs/dbraw/zinc/15/54/54/168155454.db2.gz QIXGCNJAOKZRCI-UHFFFAOYSA-N 1 1 194.278 2.229 10 0 AEAEMO COCC[N@H+]1Cc2ccccc2[C@@H]1C 336458499 168163119 /nfs/dbraw/zinc/16/31/19/168163119.db2.gz NDHSGJGVCQVQKH-JTQLQIEISA-N 1 1 191.274 2.210 10 0 AEAEMO COCC[N@H+]1Cc2ccccc2[C@H]1C 336458500 168163829 /nfs/dbraw/zinc/16/38/29/168163829.db2.gz NDHSGJGVCQVQKH-SNVBAGLBSA-N 1 1 191.274 2.210 10 0 AEAEMO COC[C@@H](C)CNc1[nH+]cccc1C 51041195 168178187 /nfs/dbraw/zinc/17/81/87/168178187.db2.gz SQQVELVSGLLYQF-VIFPVBQESA-N 1 1 194.278 2.084 10 0 AEAEMO COC[C@@H](C)CNc1ccc(C)c[nH+]1 41675386 168179330 /nfs/dbraw/zinc/17/93/30/168179330.db2.gz YAYZFAGGGPFZRQ-JTQLQIEISA-N 1 1 194.278 2.084 10 0 AEAEMO COC[C@@H](C)[N@H+]1CC(C)(C)C[C@H]1C 335434523 168180958 /nfs/dbraw/zinc/18/09/58/168180958.db2.gz FPLBVJGONWJTHE-NXEZZACHSA-N 1 1 185.311 2.142 10 0 AEAEMO COC[C@@H](C)[N@H+]1CC(C)(C)C[C@@H]1C 335434525 168181474 /nfs/dbraw/zinc/18/14/74/168181474.db2.gz FPLBVJGONWJTHE-VHSXEESVSA-N 1 1 185.311 2.142 10 0 AEAEMO COC[C@@H]1CCC[N@H+](C(C)C)CC1 334689726 168185409 /nfs/dbraw/zinc/18/54/09/168185409.db2.gz NYDFPSPCDORNOT-LLVKDONJSA-N 1 1 185.311 2.143 10 0 AEAEMO COC[C@@H]1CC[N@H+]([C@@H]2C=CCCC2)C1 336005975 168185421 /nfs/dbraw/zinc/18/54/21/168185421.db2.gz BAGRCRONNWKMPN-VXGBXAGGSA-N 1 1 195.306 2.063 10 0 AEAEMO COC[C@@H]1CC[N@H+]([C@H]2C=CCCC2)C1 336005969 168186145 /nfs/dbraw/zinc/18/61/45/168186145.db2.gz BAGRCRONNWKMPN-NEPJUHHUSA-N 1 1 195.306 2.063 10 0 AEAEMO COC[C@H](C)[N@H+]1CC(C)(C)C[C@H]1C 335434526 168188166 /nfs/dbraw/zinc/18/81/66/168188166.db2.gz FPLBVJGONWJTHE-ZJUUUORDSA-N 1 1 185.311 2.142 10 0 AEAEMO COC[C@H](C)CNc1ccc(C)c[nH+]1 41675383 168188196 /nfs/dbraw/zinc/18/81/96/168188196.db2.gz YAYZFAGGGPFZRQ-SNVBAGLBSA-N 1 1 194.278 2.084 10 0 AEAEMO COC[C@H](C)[N@H+]1CC(C)(C)C[C@@H]1C 335434524 168188719 /nfs/dbraw/zinc/18/87/19/168188719.db2.gz FPLBVJGONWJTHE-UWVGGRQHSA-N 1 1 185.311 2.142 10 0 AEAEMO COC[C@H](C)CNc1[nH+]cccc1C 51041194 168188853 /nfs/dbraw/zinc/18/88/53/168188853.db2.gz SQQVELVSGLLYQF-SECBINFHSA-N 1 1 194.278 2.084 10 0 AEAEMO COC[C@H]1CCC[N@H+](C(C)C)CC1 334689728 168190770 /nfs/dbraw/zinc/19/07/70/168190770.db2.gz NYDFPSPCDORNOT-NSHDSACASA-N 1 1 185.311 2.143 10 0 AEAEMO COC[C@H]1CC[N@H+]([C@@H]2C=CCCC2)C1 336005971 168191166 /nfs/dbraw/zinc/19/11/66/168191166.db2.gz BAGRCRONNWKMPN-NWDGAFQWSA-N 1 1 195.306 2.063 10 0 AEAEMO COC[C@H]1CC[N@H+]([C@H]2C=CCCC2)C1 336005973 168191573 /nfs/dbraw/zinc/19/15/73/168191573.db2.gz BAGRCRONNWKMPN-RYUDHWBXSA-N 1 1 195.306 2.063 10 0 AEAEMO CO[C@@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C1 336171340 168208184 /nfs/dbraw/zinc/20/81/84/168208184.db2.gz AXPAIVLIWFTHRK-VXGBXAGGSA-N 1 1 195.306 2.063 10 0 AEAEMO CO[C@@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 336171339 168208914 /nfs/dbraw/zinc/20/89/14/168208914.db2.gz AXPAIVLIWFTHRK-NWDGAFQWSA-N 1 1 195.306 2.063 10 0 AEAEMO CO[C@H]1C[C@@H]([N@@H+](C)C2CCCC2)C1 306964227 168210725 /nfs/dbraw/zinc/21/07/25/168210725.db2.gz IURYVJJIBQNZLD-PHIMTYICSA-N 1 1 183.295 2.038 10 0 AEAEMO CO[C@@]1(C)CCC[N@H+](C2CCC2)C1 307548278 168212729 /nfs/dbraw/zinc/21/27/29/168212729.db2.gz MCICQDXTWZBYBS-NSHDSACASA-N 1 1 183.295 2.040 10 0 AEAEMO CO[C@H](C)C[N@H+]1CCC(C)=C(C)C1 335592557 168213500 /nfs/dbraw/zinc/21/35/00/168213500.db2.gz HMDPATTVYKZEOD-LLVKDONJSA-N 1 1 183.295 2.063 10 0 AEAEMO CO[C@H](C)C[N@H+]1CC2(CCC2)C[C@@H]1C 334676812 168213650 /nfs/dbraw/zinc/21/36/50/168213650.db2.gz OLPZEWBSOJEVBT-WDEREUQCSA-N 1 1 197.322 2.286 10 0 AEAEMO CO[C@H](C)C[N@H+]1CCCC12CCC2 306929751 168214172 /nfs/dbraw/zinc/21/41/72/168214172.db2.gz AZWJETITOSLRNV-SNVBAGLBSA-N 1 1 183.295 2.040 10 0 AEAEMO CO[C@H](C)C[N@H+]1CC2(CCC2)C[C@H]1C 334676807 168214262 /nfs/dbraw/zinc/21/42/62/168214262.db2.gz OLPZEWBSOJEVBT-GHMZBOCLSA-N 1 1 197.322 2.286 10 0 AEAEMO CO[C@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 334721924 168217222 /nfs/dbraw/zinc/21/72/22/168217222.db2.gz AXPAIVLIWFTHRK-RYUDHWBXSA-N 1 1 195.306 2.063 10 0 AEAEMO CO[C@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C1 334721923 168217744 /nfs/dbraw/zinc/21/77/44/168217744.db2.gz AXPAIVLIWFTHRK-NEPJUHHUSA-N 1 1 195.306 2.063 10 0 AEAEMO CO[C@]1(C)CCC[N@H+](C2CCC2)C1 307548277 168222557 /nfs/dbraw/zinc/22/25/57/168222557.db2.gz MCICQDXTWZBYBS-LLVKDONJSA-N 1 1 183.295 2.040 10 0 AEAEMO COc1cc2c(C)[nH+]ccc2cc1O 29321374 168240590 /nfs/dbraw/zinc/24/05/90/168240590.db2.gz NTIIOWKIWLOHAR-UHFFFAOYSA-N 1 1 189.214 2.257 10 0 AEAEMO COc1ccc(C)c2c(N)cc[nH+]c12 50843891 168245507 /nfs/dbraw/zinc/24/55/07/168245507.db2.gz NKTKTLHAZRDABX-UHFFFAOYSA-N 1 1 188.230 2.134 10 0 AEAEMO COc1ccc(Cc2[nH]cc[nH+]2)cc1 82733956 168250702 /nfs/dbraw/zinc/25/07/02/168250702.db2.gz DHLRWIMLMIMZEH-UHFFFAOYSA-N 1 1 188.230 2.009 10 0 AEAEMO COc1ccc([C@@H]2C=CC=[NH+]2)cc1 39089766 168257602 /nfs/dbraw/zinc/25/76/02/168257602.db2.gz VUXRBAQIROYDQP-NSHDSACASA-N 1 1 173.215 2.377 10 0 AEAEMO COc1ccc([C@H]2C=CC=[NH+]2)cc1 39089767 168260146 /nfs/dbraw/zinc/26/01/46/168260146.db2.gz VUXRBAQIROYDQP-LLVKDONJSA-N 1 1 173.215 2.377 10 0 AEAEMO CSC1(C[N@H+]2[C@@H](C)C[C@H]2C)CC1 306517910 168296964 /nfs/dbraw/zinc/29/69/64/168296964.db2.gz IBDXVCMGXGMBGU-DTORHVGOSA-N 1 1 185.336 2.365 10 0 AEAEMO CSC(=[NH2+])c1ccsc1 39074254 168297373 /nfs/dbraw/zinc/29/73/73/168297373.db2.gz BPHMWHGIWSIAMB-UHFFFAOYSA-N 1 1 157.263 2.436 10 0 AEAEMO CSCC[N@H+]1CCC(C)=C(C)C1 335594498 168299565 /nfs/dbraw/zinc/29/95/65/168299565.db2.gz PBOGDFPTNIHMJD-UHFFFAOYSA-N 1 1 185.336 2.392 10 0 AEAEMO CSCC[N@H+]1CCCC12CCC2 306507234 168299858 /nfs/dbraw/zinc/29/98/58/168299858.db2.gz XHBSLCONUKHBGZ-UHFFFAOYSA-N 1 1 185.336 2.368 10 0 AEAEMO CSCC[N@@H+]1CC=C(C)CC1 335657954 168300440 /nfs/dbraw/zinc/30/04/40/168300440.db2.gz PXZSZRXKDZRRMB-UHFFFAOYSA-N 1 1 171.309 2.001 10 0 AEAEMO CSCC[N@H+]1CCC=C(C)C1 335536736 168300528 /nfs/dbraw/zinc/30/05/28/168300528.db2.gz UGMPFPQPSHFBGU-UHFFFAOYSA-N 1 1 171.309 2.001 10 0 AEAEMO CSCC[N@H+]1CCCC1(C)C 336332951 168300917 /nfs/dbraw/zinc/30/09/17/168300917.db2.gz GFRJGBVLBJVZJA-UHFFFAOYSA-N 1 1 173.325 2.224 10 0 AEAEMO CSCC[N@@H+]1CC(C)=C[C@H](C)C1 306566642 168301467 /nfs/dbraw/zinc/30/14/67/168301467.db2.gz BFDSIJSZJMZSFS-VIFPVBQESA-N 1 1 185.336 2.247 10 0 AEAEMO CSCC[N@@H+]1CC(C)=C[C@@H](C)C1 306566640 168301553 /nfs/dbraw/zinc/30/15/53/168301553.db2.gz BFDSIJSZJMZSFS-SECBINFHSA-N 1 1 185.336 2.247 10 0 AEAEMO CSCCn1c[nH+]c2c1CCCC2 122280438 168303378 /nfs/dbraw/zinc/30/33/78/168303378.db2.gz XNFAXZQTDCECNS-UHFFFAOYSA-N 1 1 196.319 2.125 10 0 AEAEMO CS[C@@H]1[NH2+]CCc2ccccc21 40819260 168307222 /nfs/dbraw/zinc/30/72/22/168307222.db2.gz ISMGBMVDFPCAEQ-JTQLQIEISA-N 1 1 179.288 2.194 10 0 AEAEMO CS[C@H]1[NH2+]CCc2ccccc21 40819258 168309209 /nfs/dbraw/zinc/30/92/09/168309209.db2.gz ISMGBMVDFPCAEQ-SNVBAGLBSA-N 1 1 179.288 2.194 10 0 AEAEMO CSc1nc2c(s1)[C@@H](C)[NH2+]C2 82391980 168314315 /nfs/dbraw/zinc/31/43/15/168314315.db2.gz LJGLUQSUDNBDND-SCSAIBSYSA-N 1 1 186.305 2.029 10 0 AEAEMO CSc1nc2c(s1)[C@H](C)[NH2+]C2 82391981 168314382 /nfs/dbraw/zinc/31/43/82/168314382.db2.gz LJGLUQSUDNBDND-BYPYZUCNSA-N 1 1 186.305 2.029 10 0 AEAEMO C[C@@H](C(N)=O)[N@H+]1CC(C)(C)C[C@H]1C 335189140 168325250 /nfs/dbraw/zinc/32/52/50/168325250.db2.gz KKOYGXHTFUTJPQ-SFYZADRCSA-N 1 1 184.283 2.031 10 0 AEAEMO C[C@@H](C1CC1)[N@@H+](C)[C@@H]1CCCCC1=O 37338758 168331937 /nfs/dbraw/zinc/33/19/37/168331937.db2.gz FCOYWYIMZHFNGU-GXSJLCMTSA-N 1 1 195.306 2.228 10 0 AEAEMO C[C@@H](C1CC1)[N@H+](C)CCCC[C@@H](C)O 45619733 168332218 /nfs/dbraw/zinc/33/22/18/168332218.db2.gz CPMBXHUAXUNUFX-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H](CCN(C)C)[NH2+]CC1CCCC1 49557051 168337384 /nfs/dbraw/zinc/33/73/84/168337384.db2.gz AHPZTASTCFDQCZ-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO C[C@@H](CCCO)[N@H+]1CCCC[C@H]1C 58826774 168337645 /nfs/dbraw/zinc/33/76/45/168337645.db2.gz RTELVYQRGATZSW-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO C[C@@H](CCN(C)C)[NH2+][C@@H](C)C1(C)CC1 49553808 168338029 /nfs/dbraw/zinc/33/80/29/168338029.db2.gz NIOBKFAHYBBBPD-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H](CCCO)[N@H+]1CCCC[C@@H]1C 58826780 168338202 /nfs/dbraw/zinc/33/82/02/168338202.db2.gz RTELVYQRGATZSW-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO C[C@@H](CCN(C)C)[NH2+][C@H](C)C1(C)CC1 49553810 168338363 /nfs/dbraw/zinc/33/83/63/168338363.db2.gz NIOBKFAHYBBBPD-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H](CC[NH3+])c1ccc2nc[nH]c2c1 82588317 168340043 /nfs/dbraw/zinc/34/00/43/168340043.db2.gz QXLUIZRVYTWKCZ-QMMMGPOBSA-N 1 1 189.262 2.015 10 0 AEAEMO C[C@@H](CN)[N@H+](C)[C@@H](C)c1ccccc1 77277370 168344151 /nfs/dbraw/zinc/34/41/51/168344151.db2.gz ODVWPWDBHDRDKO-QWRGUYRKSA-N 1 1 192.306 2.027 10 0 AEAEMO C[C@@H](CN)[N@@H+](C)[C@@H](C)c1ccccc1 77277370 168344154 /nfs/dbraw/zinc/34/41/54/168344154.db2.gz ODVWPWDBHDRDKO-QWRGUYRKSA-N 1 1 192.306 2.027 10 0 AEAEMO C[C@@H](CN)[NH+]1CCC(C(C)(C)C)CC1 50346025 168345868 /nfs/dbraw/zinc/34/58/68/168345868.db2.gz LLKCRZRAJFDVRK-JTQLQIEISA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H](CNC1CC1)[NH+]1CCCCCC1 52381770 168348792 /nfs/dbraw/zinc/34/87/92/168348792.db2.gz MKWOMUXTSZUAGZ-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@@H]([N@@H+](C)CC(C)(C)O)C(C)(C)C 42778282 168355576 /nfs/dbraw/zinc/35/55/76/168355576.db2.gz HFMXMLPGCUCIRM-SECBINFHSA-N 1 1 187.327 2.124 10 0 AEAEMO C[C@@H]([N@@H+](C)[C@@H]1CCCC1=O)C(C)(C)C 42774155 168355593 /nfs/dbraw/zinc/35/55/93/168355593.db2.gz DKVJHDHOWCGZJM-NXEZZACHSA-N 1 1 197.322 2.474 10 0 AEAEMO C[C@@H]([N@@H+](C)C(C)(C)CN)C(C)(C)C 42742120 168355717 /nfs/dbraw/zinc/35/57/17/168355717.db2.gz ZLFXWJUNAKBNFR-SECBINFHSA-N 1 1 186.343 2.090 10 0 AEAEMO C[C@@H]([N@@H+](C)C1CCCC1)C(C)(C)O 307170414 168355917 /nfs/dbraw/zinc/35/59/17/168355917.db2.gz AWVDECJMCPZKGQ-SECBINFHSA-N 1 1 185.311 2.020 10 0 AEAEMO C[C@@H]([N@H+](C)C1CCNCC1)C(C)(C)C 42768028 168356340 /nfs/dbraw/zinc/35/63/40/168356340.db2.gz UQXLDEVIRBFRQB-SNVBAGLBSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H]([N@@H+](C)C1CCNCC1)C(C)(C)C 42768028 168356343 /nfs/dbraw/zinc/35/63/43/168356343.db2.gz UQXLDEVIRBFRQB-SNVBAGLBSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H]([N@@H+](C)[C@@H]1CCC[C@@H]1N)C(C)(C)C 42747448 168356384 /nfs/dbraw/zinc/35/63/84/168356384.db2.gz SEXRNKGMQCSJCN-OUAUKWLOSA-N 1 1 198.354 2.233 10 0 AEAEMO C[C@@H](N(C)[C@@H]1CCC[C@@H]1[NH3+])C(C)(C)C 42747448 168356386 /nfs/dbraw/zinc/35/63/86/168356386.db2.gz SEXRNKGMQCSJCN-OUAUKWLOSA-N 1 1 198.354 2.233 10 0 AEAEMO C[C@@H]([N@@H+](C)[C@@H](CN)C1CC1)C(C)(C)C 42741645 168356618 /nfs/dbraw/zinc/35/66/18/168356618.db2.gz MGLQOFOSAJEIRZ-KOLCDFICSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@@H]([N@H+](C)[C@@H]1CCCNC1)C(C)(C)C 42768034 168356724 /nfs/dbraw/zinc/35/67/24/168356724.db2.gz GHKCERSJZJTSKM-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H]([N@@H+](C)[C@@H]1CCCNC1)C(C)(C)C 42768034 168356726 /nfs/dbraw/zinc/35/67/26/168356726.db2.gz GHKCERSJZJTSKM-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H](N)[C@@H](C)[NH2+]C1CCC2(CC1)CC2 335016074 168366130 /nfs/dbraw/zinc/36/61/30/168366130.db2.gz AGWIMXYQHKEULU-NXEZZACHSA-N 1 1 196.338 2.035 10 0 AEAEMO C[C@@H]([NH3+])[C@@H](N1CCCCC1)C(C)(C)C 43291454 168366268 /nfs/dbraw/zinc/36/62/68/168366268.db2.gz BHLDAPXMBWYAHV-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H](N)[C@@H](C)[N@@H+](C)CC1CCCCC1 42492777 168366574 /nfs/dbraw/zinc/36/65/74/168366574.db2.gz AIEYRHUYXUIFPV-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]([NH3+])[C@@H](C)N(C)CC1CCCCC1 42492777 168366576 /nfs/dbraw/zinc/36/65/76/168366576.db2.gz AIEYRHUYXUIFPV-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H](N)[C@@H](C)[NH2+]C1CCCCCC1 306815848 168366663 /nfs/dbraw/zinc/36/66/63/168366663.db2.gz BCJSPTSGWCIWLA-NXEZZACHSA-N 1 1 184.327 2.035 10 0 AEAEMO C[C@@H](N)[C@@H]([N@@H+](C)CC1CC1)C(C)(C)C 43293172 168366816 /nfs/dbraw/zinc/36/68/16/168366816.db2.gz NRBDAIOOLMAZQZ-MWLCHTKSSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@@H](N)[C@@H](C)[N@@H+](C)C1CCCCCC1 41053869 168367150 /nfs/dbraw/zinc/36/71/50/168367150.db2.gz JGJFTQUZGRINMK-GHMZBOCLSA-N 1 1 198.354 2.377 10 0 AEAEMO C[C@@H]([NH3+])c1cnc(C2CCCCC2)[nH]1 82516962 168367526 /nfs/dbraw/zinc/36/75/26/168367526.db2.gz AAXNIFBGKJKWHZ-MRVPVSSYSA-N 1 1 193.294 2.477 10 0 AEAEMO C[C@@H]([NH3+])c1[nH]ncc1-c1ccccc1 75845369 168368126 /nfs/dbraw/zinc/36/81/26/168368126.db2.gz ZUCMTLFBRWUYSF-MRVPVSSYSA-N 1 1 187.246 2.096 10 0 AEAEMO C[C@@H]([NH3+])c1cnc(-c2cccs2)[nH]1 82517154 168368307 /nfs/dbraw/zinc/36/83/07/168368307.db2.gz ITHWJTQXAPGEDA-ZCFIWIBFSA-N 1 1 193.275 2.158 10 0 AEAEMO C[C@@H](N)[C@H]([N@@H+](C)CC1CC1)C(C)(C)C 43293168 168368359 /nfs/dbraw/zinc/36/83/59/168368359.db2.gz NRBDAIOOLMAZQZ-KOLCDFICSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@@H]([NH3+])[C@H](N1CCCCC1)C(C)(C)C 43291451 168368484 /nfs/dbraw/zinc/36/84/84/168368484.db2.gz BHLDAPXMBWYAHV-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]([NH3+])c1cnc(-c2ccccc2)[nH]1 82391701 168371311 /nfs/dbraw/zinc/37/13/11/168371311.db2.gz YFVZPDCNRWNHNX-MRVPVSSYSA-N 1 1 187.246 2.096 10 0 AEAEMO C[C@@H]([NH3+])c1nc2ccc(F)c(F)c2o1 75883659 168372128 /nfs/dbraw/zinc/37/21/28/168372128.db2.gz DBVPCNFHLBADGZ-SCSAIBSYSA-N 1 1 198.172 2.126 10 0 AEAEMO C[C@@H]([NH3+])c1nc2cc(F)cc(F)c2o1 75883663 168373245 /nfs/dbraw/zinc/37/32/45/168373245.db2.gz KDBWRPBECROBGD-SCSAIBSYSA-N 1 1 198.172 2.126 10 0 AEAEMO C[C@@H]([NH3+])c1nnc(C2CCCCC2)o1 11586046 168374729 /nfs/dbraw/zinc/37/47/29/168374729.db2.gz XIXVRZVGXGXDIS-SSDOTTSWSA-N 1 1 195.266 2.137 10 0 AEAEMO C[C@@H]([NH3+])c1ncc(-c2cccs2)o1 11587045 168374752 /nfs/dbraw/zinc/37/47/52/168374752.db2.gz LSZHDGSAMOVKIT-ZCFIWIBFSA-N 1 1 194.259 2.423 10 0 AEAEMO C[C@@H]([NH2+]Cc1ccn[nH]1)C1CCCC1 54081087 168383678 /nfs/dbraw/zinc/38/36/78/168383678.db2.gz SDTSWJLTHYEHQQ-SECBINFHSA-N 1 1 193.294 2.078 10 0 AEAEMO C[C@@H](O)CCCC[N@@H+](C)C1CCCC1 45619557 168389284 /nfs/dbraw/zinc/38/92/84/168389284.db2.gz GAMDSBWQLQZUSA-LLVKDONJSA-N 1 1 199.338 2.412 10 0 AEAEMO C[C@@H](O)CC[N@H+]1CC2(CCC2)C[C@H]1C 336272867 168389312 /nfs/dbraw/zinc/38/93/12/168389312.db2.gz GPTLWSUIEXKOFQ-GHMZBOCLSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H](O)CCCC[N@H+]1CCC[C@@H](C)C1 45619069 168389991 /nfs/dbraw/zinc/38/99/91/168389991.db2.gz FWMRPJPGSWXRNC-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO C[C@@H](O)[C@@H](C)[N@@H+](C)C1CCCCC1 44120999 168397659 /nfs/dbraw/zinc/39/76/59/168397659.db2.gz ASQLDRYSGDZWFV-NXEZZACHSA-N 1 1 185.311 2.020 10 0 AEAEMO C[C@@H](O)[C@@H](C)[N@@H+](C)C1CCCCCC1 44160685 168397960 /nfs/dbraw/zinc/39/79/60/168397960.db2.gz PCFNXSYWSYHQMH-GHMZBOCLSA-N 1 1 199.338 2.410 10 0 AEAEMO C[C@@H](O)[C@@H]1CCCC[N@H+]1C1CCCC1 336345744 168398238 /nfs/dbraw/zinc/39/82/38/168398238.db2.gz CBIYJIVLJMREGD-PWSUYJOCSA-N 1 1 197.322 2.164 10 0 AEAEMO C[C@@H](O)[C@H]1CCCC[N@H+]1C1CCCC1 336345745 168399430 /nfs/dbraw/zinc/39/94/30/168399430.db2.gz CBIYJIVLJMREGD-ZYHUDNBSSA-N 1 1 197.322 2.164 10 0 AEAEMO C[C@@H]1CC=C2CCCC[N@H+]21 100307547 168413980 /nfs/dbraw/zinc/41/39/80/168413980.db2.gz DMNASNVZFFPOER-MRVPVSSYSA-N 1 1 137.226 2.148 10 0 AEAEMO C[C@@H]1CCC[N@H+]1CC1(CO)CCCC1 51291343 168422421 /nfs/dbraw/zinc/42/24/21/168422421.db2.gz ZSWDKDXIFJKQSM-LLVKDONJSA-N 1 1 197.322 2.023 10 0 AEAEMO C[C@@H]1CCC[C@H]2CCC[N@H+]21 59620296 168428733 /nfs/dbraw/zinc/42/87/33/168428733.db2.gz ABPWFSWOJBTVFX-BDAKNGLRSA-N 1 1 139.242 2.023 10 0 AEAEMO C[C@@H]1CC[C@H]2CCCC[N@@H+]12 25877195 168443796 /nfs/dbraw/zinc/44/37/96/168443796.db2.gz APKFRCJPKPDWSL-RKDXNWHRSA-N 1 1 139.242 2.023 10 0 AEAEMO C[C@@H]1C[N@H+](C)C[C@@H]2[C@@H](C)CC[C@H]12 38276394 168447085 /nfs/dbraw/zinc/44/70/85/168447085.db2.gz HGTMGCDIPYGVKA-LNFKQOIKSA-N 1 1 167.296 2.230 10 0 AEAEMO C[C@@H]1C[C@@H](C)[N@@H+](CC2=CCCOC2)C1 334187320 168465214 /nfs/dbraw/zinc/46/52/14/168465214.db2.gz GXMVYEHHSFSMKV-GHMZBOCLSA-N 1 1 195.306 2.063 10 0 AEAEMO C[C@@H]1C[C@@H](C[N@@H+](C)C2CCC2)CCO1 334229250 168465846 /nfs/dbraw/zinc/46/58/46/168465846.db2.gz HZAJDWPTLMZAKD-MNOVXSKESA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@H]([N@@H+](C)C(C)(C)CN)C(C)(C)C 42742117 168541624 /nfs/dbraw/zinc/54/16/24/168541624.db2.gz ZLFXWJUNAKBNFR-VIFPVBQESA-N 1 1 186.343 2.090 10 0 AEAEMO C[C@H]1CC(C)(C)C[C@@](C[NH3+])(N(C)C)C1 19431055 168595311 /nfs/dbraw/zinc/59/53/11/168595311.db2.gz WMNSPXNZDMFFGB-JQWIXIFHSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CCCC[C@@H]1[N@@H+](C)C(C)(C)CN 42606922 168600438 /nfs/dbraw/zinc/60/04/38/168600438.db2.gz BUBKGVPYFXDTEG-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]1CCC[N@@H+](CC2=CCCOC2)C1 335915322 168603443 /nfs/dbraw/zinc/60/34/43/168603443.db2.gz ABYBBEUCIPRUPB-NSHDSACASA-N 1 1 195.306 2.065 10 0 AEAEMO C[C@H]1CCC[N@@H+]1CCCC[C@@H](C)O 45618899 168605576 /nfs/dbraw/zinc/60/55/76/168605576.db2.gz HSKFQSJFVDWBCW-WDEREUQCSA-N 1 1 185.311 2.022 10 0 AEAEMO C[C@H]1CCC[C@H]([N@H+]2CCC[C@H](O)C2)C1 4022958 168611886 /nfs/dbraw/zinc/61/18/86/168611886.db2.gz WFKFPZONMAFEJT-SRVKXCTJSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1CC[N@H+]2CCCC[C@@H]2C1 5376550 168618337 /nfs/dbraw/zinc/61/83/37/168618337.db2.gz QCSLVVGMBNXNRT-VHSXEESVSA-N 1 1 153.269 2.271 10 0 AEAEMO C[C@H]1CCNc2[nH+]cccc21 20972720 168620480 /nfs/dbraw/zinc/62/04/80/168620480.db2.gz VJHCQDMNLWGRSF-ZETCQYMHSA-N 1 1 148.209 2.001 10 0 AEAEMO C[C@H]1C[N@@H+](CC2CCC(=O)CC2)[C@H]1C 336265852 168632226 /nfs/dbraw/zinc/63/22/26/168632226.db2.gz ZBVCIKKOHZGZQU-UWVGGRQHSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1CC1CCC1 306267964 168649649 /nfs/dbraw/zinc/64/96/49/168649649.db2.gz QVZZPBMAASZWEU-DTORHVGOSA-N 1 1 153.269 2.269 10 0 AEAEMO C[C@H]1C[C@@H](C[N@@H+](C)C2CCC2)CCO1 334229252 168650607 /nfs/dbraw/zinc/65/06/07/168650607.db2.gz HZAJDWPTLMZAKD-QWRGUYRKSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@H]1C[C@H](C)[N@@H+](CC2=CCCOC2)C1 334187323 168658898 /nfs/dbraw/zinc/65/88/98/168658898.db2.gz GXMVYEHHSFSMKV-QWRGUYRKSA-N 1 1 195.306 2.063 10 0 AEAEMO C[C@H]1C[C@H](C[N@@H+](C)C2CCC2)CCO1 334229253 168659891 /nfs/dbraw/zinc/65/98/91/168659891.db2.gz HZAJDWPTLMZAKD-WDEREUQCSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@H]1C[C@H](O)C[C@@H](C)[N@H+]1CCC1CC1 335780000 168662837 /nfs/dbraw/zinc/66/28/37/168662837.db2.gz ZGGVCWDUCJXBAL-PEGIJTEDSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@H]1C[C@H]1n1c[nH+]c2cc(N)ccc21 52853492 168666237 /nfs/dbraw/zinc/66/62/37/168666237.db2.gz OBOSGLDTTHFLNI-WRWORJQWSA-N 1 1 187.246 2.199 10 0 AEAEMO Cc1c(N)cccc1C[N@H+](C)C1CC1 35649117 168714018 /nfs/dbraw/zinc/71/40/18/168714018.db2.gz PKLPSDLWCFYNQO-UHFFFAOYSA-N 1 1 190.290 2.171 10 0 AEAEMO Cc1cc(-n2c[nH+]cc2C)ccc1N 82655668 168724273 /nfs/dbraw/zinc/72/42/73/168724273.db2.gz JRNNFTLOJRWKML-UHFFFAOYSA-N 1 1 187.246 2.071 10 0 AEAEMO Cc1cc(N2[C@H](C)C[C@H]2C)nc(C)[nH+]1 334880769 168769102 /nfs/dbraw/zinc/76/91/02/168769102.db2.gz XLZIBVXPEADQKD-RKDXNWHRSA-N 1 1 191.278 2.081 10 0 AEAEMO Cc1cc(N[C@H]2CC23CC3)nc(C)[nH+]1 335105943 168771155 /nfs/dbraw/zinc/77/11/55/168771155.db2.gz ZPOUZRHVQBQFIY-VIFPVBQESA-N 1 1 189.262 2.058 10 0 AEAEMO Cc1cc(N[C@@H]2CC[C@H]2C)nc(C)[nH+]1 307571470 168771479 /nfs/dbraw/zinc/77/14/79/168771479.db2.gz DBVGNTRTUHTDSB-GMSGAONNSA-N 1 1 191.278 2.304 10 0 AEAEMO Cc1cc2nc(C[NH3+])oc2cc1Cl 62522171 168791389 /nfs/dbraw/zinc/79/13/89/168791389.db2.gz POEJLPVTORYZED-UHFFFAOYSA-N 1 1 196.637 2.248 10 0 AEAEMO Cc1ccc(-n2cc[nH+]c2C)cc1N 39292737 168796663 /nfs/dbraw/zinc/79/66/63/168796663.db2.gz XUUHHUAOQCPPLW-UHFFFAOYSA-N 1 1 187.246 2.071 10 0 AEAEMO Cc1ccc(C(C)C)cc1C(=O)C[NH3+] 82588494 168803034 /nfs/dbraw/zinc/80/30/34/168803034.db2.gz NSNQXKHTIAFVMP-UHFFFAOYSA-N 1 1 191.274 2.260 10 0 AEAEMO Cc1ccc(N[C@H]2CC[N@H+](C)C2)cc1 61984690 168827980 /nfs/dbraw/zinc/82/79/80/168827980.db2.gz IMHFTCQWLFRROM-LBPRGKRZSA-N 1 1 190.290 2.111 10 0 AEAEMO Cc1ccc2[nH+]c(C)c(C)n2c1 34617084 168855337 /nfs/dbraw/zinc/85/53/37/168855337.db2.gz JZQGQWZPOCKOMG-UHFFFAOYSA-N 1 1 160.220 2.260 10 0 AEAEMO Cc1ccc2oc([C@@H](C)[NH3+])nc2c1 37746461 168856279 /nfs/dbraw/zinc/85/62/79/168856279.db2.gz GAXYEBXQJOAWKV-SSDOTTSWSA-N 1 1 176.219 2.156 10 0 AEAEMO Cc1cc[nH+]c(N[C@@H]2C[C@@H]2C)c1 52290732 168890308 /nfs/dbraw/zinc/89/03/08/168890308.db2.gz MTYRULZLTPLPBA-DTWKUNHWSA-N 1 1 162.236 2.210 10 0 AEAEMO Cc1cn2c([nH+]1)[C@H](C)CCC2 49804545 168899072 /nfs/dbraw/zinc/89/90/72/168899072.db2.gz SHMALGMDJTVNFR-SSDOTTSWSA-N 1 1 150.225 2.089 10 0 AEAEMO Cc1cnc(C[NH+]2[C@@H](C)C[C@@H]2C)s1 306433003 168902532 /nfs/dbraw/zinc/90/25/32/168902532.db2.gz VJQRHLIMNNAPNH-YUMQZZPRSA-N 1 1 196.319 2.434 10 0 AEAEMO Cc1c[nH+]c(N)c(-c2cccnc2)c1 47212378 168904744 /nfs/dbraw/zinc/90/47/44/168904744.db2.gz GRVIWFABVNZKGL-UHFFFAOYSA-N 1 1 185.230 2.034 10 0 AEAEMO CC1(c2cn3c([nH+]2)CCCC3)CC1 135886980 343970340 /nfs/dbraw/zinc/97/03/40/343970340.db2.gz MVVVBJSEGFFCPL-UHFFFAOYSA-N 1 1 176.263 2.271 10 0 AEAEMO C[C@H]1CCc2c1[nH+]c1n2CCCC1 135888417 343970563 /nfs/dbraw/zinc/97/05/63/343970563.db2.gz JMACSECFLJNLNI-QMMMGPOBSA-N 1 1 176.263 2.269 10 0 AEAEMO Cc1nocc1C[N@H+]1CCC12CCC2 336251034 169004206 /nfs/dbraw/zinc/00/42/06/169004206.db2.gz LPVLYJKTESQLET-UHFFFAOYSA-N 1 1 192.262 2.111 10 0 AEAEMO Cc1nocc1C[N@H+]1CCCC1(C)C 336587046 169004275 /nfs/dbraw/zinc/00/42/75/169004275.db2.gz CUAJIEOOYFZHSA-UHFFFAOYSA-N 1 1 194.278 2.357 10 0 AEAEMO Cc1nocc1C[N@@H+]1CC[C@H](C)[C@H]1C 335202916 169004309 /nfs/dbraw/zinc/00/43/09/169004309.db2.gz STOYPRQLUJUQQF-WCBMZHEXSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1nocc1C[N@@H+]1CC[C@@H](C)[C@@H]1C 335202915 169004673 /nfs/dbraw/zinc/00/46/73/169004673.db2.gz STOYPRQLUJUQQF-SCZZXKLOSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1nocc1C[N@H+]1C[C@H](C)C[C@@H]1C 335343142 169004780 /nfs/dbraw/zinc/00/47/80/169004780.db2.gz OIPIQLUOCHAKCZ-BDAKNGLRSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1nocc1C[N@@H+]1CC[C@@H]1C(C)C 334479220 169004876 /nfs/dbraw/zinc/00/48/76/169004876.db2.gz RREKGKTYJJVBKJ-LLVKDONJSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1nocc1C[N@@H+]1CC[C@@H](C)[C@H]1C 335202914 169005026 /nfs/dbraw/zinc/00/50/26/169005026.db2.gz STOYPRQLUJUQQF-PSASIEDQSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1nocc1C[N@H+]1C[C@@H](C)[C@@H](C)C1 335203167 169005083 /nfs/dbraw/zinc/00/50/83/169005083.db2.gz ONWAAISXABSFTD-DTORHVGOSA-N 1 1 194.278 2.071 10 0 AEAEMO Cc1nocc1C[N@H+](C)C1CCCC1 335814978 169005137 /nfs/dbraw/zinc/00/51/37/169005137.db2.gz ZJTXAYBVBDLILQ-UHFFFAOYSA-N 1 1 194.278 2.357 10 0 AEAEMO Cc1nocc1C[N@@H+]1CC[C@H]1C(C)C 334479223 169005356 /nfs/dbraw/zinc/00/53/56/169005356.db2.gz RREKGKTYJJVBKJ-NSHDSACASA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1nocc1C[N@H+]1[C@@H](C)CC[C@H]1C 336576603 169005361 /nfs/dbraw/zinc/00/53/61/169005361.db2.gz VKGRNEPENRISDD-DTORHVGOSA-N 1 1 194.278 2.356 10 0 AEAEMO Cc1nocc1C[N@@H+]1CC[C@H](C)[C@@H]1C 335202917 169005422 /nfs/dbraw/zinc/00/54/22/169005422.db2.gz STOYPRQLUJUQQF-WPRPVWTQSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1nocc1C[N@H+]1C[C@H](C)C[C@H]1C 335343145 169005600 /nfs/dbraw/zinc/00/56/00/169005600.db2.gz OIPIQLUOCHAKCZ-RKDXNWHRSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1nocc1C[N@H+]1C[C@@H](C)C[C@H]1C 335343143 169005641 /nfs/dbraw/zinc/00/56/41/169005641.db2.gz OIPIQLUOCHAKCZ-DTWKUNHWSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1nocc1C[N@@H+]1CCC[C@@H](C)C1 335941258 169005884 /nfs/dbraw/zinc/00/58/84/169005884.db2.gz IKKHDQIBHKWGKX-SECBINFHSA-N 1 1 194.278 2.215 10 0 AEAEMO Cc1nocc1C[N@H+]1C[C@@H](C)C[C@@H]1C 335343144 169006092 /nfs/dbraw/zinc/00/60/92/169006092.db2.gz OIPIQLUOCHAKCZ-IUCAKERBSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1oc(C[NH3+])nc1-c1cccs1 71506771 169009888 /nfs/dbraw/zinc/00/98/88/169009888.db2.gz JVPWFQGSWMUMFK-UHFFFAOYSA-N 1 1 194.259 2.170 10 0 AEAEMO Cc1occc1[C@H]([NH3+])c1ccco1 49844534 169011687 /nfs/dbraw/zinc/01/16/87/169011687.db2.gz WHCQXSSIICOPKY-JTQLQIEISA-N 1 1 177.203 2.229 10 0 AEAEMO Cc1occc1[C@@H]([NH3+])c1ccco1 49844535 169011818 /nfs/dbraw/zinc/01/18/18/169011818.db2.gz WHCQXSSIICOPKY-SNVBAGLBSA-N 1 1 177.203 2.229 10 0 AEAEMO Cc1oncc1C[N@@H+]1CC[C@H](C)[C@H]1C 336180303 169012463 /nfs/dbraw/zinc/01/24/63/169012463.db2.gz HNJYFNJNLMYHKF-DTWKUNHWSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1oncc1C[N@@H+]1CC[C@H](C)[C@@H]1C 336180304 169012703 /nfs/dbraw/zinc/01/27/03/169012703.db2.gz HNJYFNJNLMYHKF-IUCAKERBSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1oncc1C[N@H+]1CCC12CCC2 336180307 169013161 /nfs/dbraw/zinc/01/31/61/169013161.db2.gz HUJOTHSTMUDNSM-UHFFFAOYSA-N 1 1 192.262 2.111 10 0 AEAEMO Cc1oncc1C[N@@H+]1CC[C@@H](C)[C@@H]1C 336180302 169013419 /nfs/dbraw/zinc/01/34/19/169013419.db2.gz HNJYFNJNLMYHKF-BDAKNGLRSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1oncc1C[N@@H+]1CC[C@@H](C)[C@H]1C 336180305 169013583 /nfs/dbraw/zinc/01/35/83/169013583.db2.gz HNJYFNJNLMYHKF-RKDXNWHRSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1oncc1NC(=[NH2+])C(C)C 39113205 169015256 /nfs/dbraw/zinc/01/52/56/169015256.db2.gz VCPYPIVIJIEXAB-UHFFFAOYSA-N 1 1 167.212 2.028 10 0 AEAEMO Clc1cc2c3c(c1)[nH+]cn3CCN2 95932779 169021210 /nfs/dbraw/zinc/02/12/10/169021210.db2.gz UXULYSCKZAHLAM-UHFFFAOYSA-N 1 1 193.637 2.115 10 0 AEAEMO Clc1ccccc1[C@H]1[NH2+]CCCO1 49811819 169024532 /nfs/dbraw/zinc/02/45/32/169024532.db2.gz SHXQXJMHOHFQGM-JTQLQIEISA-N 1 1 197.665 2.349 10 0 AEAEMO Clc1ccccc1[C@@H]1[NH2+]CCCO1 49811818 169024993 /nfs/dbraw/zinc/02/49/93/169024993.db2.gz SHXQXJMHOHFQGM-SNVBAGLBSA-N 1 1 197.665 2.349 10 0 AEAEMO Clc1c[nH+]ccc1NC1CC1 71254551 169026399 /nfs/dbraw/zinc/02/63/99/169026399.db2.gz VMARRUMQRGENMX-UHFFFAOYSA-N 1 1 168.627 2.309 10 0 AEAEMO Cn1c(C=O)c(Cl)c2c[nH+]ccc21 82386941 169031483 /nfs/dbraw/zinc/03/14/83/169031483.db2.gz JERBEETWGVVMNV-UHFFFAOYSA-N 1 1 194.621 2.039 10 0 AEAEMO Cn1ccc(C[N@H+]2CC[C@@H]2C2CC2)c1 336216326 169044726 /nfs/dbraw/zinc/04/47/26/169044726.db2.gz SMRMMIBJYUBZEZ-GFCCVEGCSA-N 1 1 190.290 2.009 10 0 AEAEMO Cn1ccc(C[N@H+]2CC[C@H]2C2CC2)c1 336216327 169044863 /nfs/dbraw/zinc/04/48/63/169044863.db2.gz SMRMMIBJYUBZEZ-LBPRGKRZSA-N 1 1 190.290 2.009 10 0 AEAEMO Cn1ccc(C[N@H+]2CCCC2(C)C)c1 334254091 169045802 /nfs/dbraw/zinc/04/58/02/169045802.db2.gz KLHODLBPQZGITO-UHFFFAOYSA-N 1 1 192.306 2.400 10 0 AEAEMO Cn1cccc1C[N@H+]1CC[C@H]1C1CC1 336215572 169049704 /nfs/dbraw/zinc/04/97/04/169049704.db2.gz XXOGFEDLVCLFEX-LBPRGKRZSA-N 1 1 190.290 2.009 10 0 AEAEMO Cn1cccc1C[N@H+]1CC[C@@H]1C1CC1 336215571 169050059 /nfs/dbraw/zinc/05/00/59/169050059.db2.gz XXOGFEDLVCLFEX-GFCCVEGCSA-N 1 1 190.290 2.009 10 0 AEAEMO Cn1cccc1C[N@H+]1CCCC1(C)C 335742157 169050473 /nfs/dbraw/zinc/05/04/73/169050473.db2.gz UKDZXEIOBSRGHG-UHFFFAOYSA-N 1 1 192.306 2.400 10 0 AEAEMO Cn1cc[nH+]c1C1CCCCC1 75841288 169051227 /nfs/dbraw/zinc/05/12/27/169051227.db2.gz YLNMRBLBBSQWQS-UHFFFAOYSA-N 1 1 164.252 2.468 10 0 AEAEMO Cn1c[nH+]c(/C=C/c2ccccc2)c1N 98180291 169054392 /nfs/dbraw/zinc/05/43/92/169054392.db2.gz ZWSXXDSNMYLSFZ-BQYQJAHWSA-N 1 1 199.257 2.173 10 0 AEAEMO Cn1c[nH+]cc1[Si](C)(C)C(C)(C)C 195801178 169058026 /nfs/dbraw/zinc/05/80/26/169058026.db2.gz DSQZEALRJYGJRU-UHFFFAOYSA-N 1 1 196.370 2.136 10 0 AEAEMO FC(F)(F)CC[N@H+]1C[C@@H]2CCC[C@@H]21 307723231 169070844 /nfs/dbraw/zinc/07/08/44/169070844.db2.gz UMEMINROXKKTLM-YUMQZZPRSA-N 1 1 193.212 2.423 10 0 AEAEMO FC(F)(F)CC[N@H+]1C[C@H]2CCC[C@@H]21 307723230 169070934 /nfs/dbraw/zinc/07/09/34/169070934.db2.gz UMEMINROXKKTLM-SFYZADRCSA-N 1 1 193.212 2.423 10 0 AEAEMO FC(F)(F)CC[N@H+]1C[C@@H]2CCC[C@H]21 307723229 169071085 /nfs/dbraw/zinc/07/10/85/169071085.db2.gz UMEMINROXKKTLM-JGVFFNPUSA-N 1 1 193.212 2.423 10 0 AEAEMO FC(F)(F)CC[N@H+]1C[C@H]2CCC[C@H]21 307723228 169071836 /nfs/dbraw/zinc/07/18/36/169071836.db2.gz UMEMINROXKKTLM-HTQZYQBOSA-N 1 1 193.212 2.423 10 0 AEAEMO FC(F)(F)[C@H]1CCc2[nH+]c[nH]c2C1 76087285 169072213 /nfs/dbraw/zinc/07/22/13/169072213.db2.gz BTBHXXNKRUXLLS-YFKPBYRVSA-N 1 1 190.168 2.077 10 0 AEAEMO FC(F)(F)[C@H]1CCc2[nH]c[nH+]c2C1 76087285 169072214 /nfs/dbraw/zinc/07/22/14/169072214.db2.gz BTBHXXNKRUXLLS-YFKPBYRVSA-N 1 1 190.168 2.077 10 0 AEAEMO FC(F)(F)[C@H]1C[C@H]2CCCC[N@H+]2C1 108705164 169072314 /nfs/dbraw/zinc/07/23/14/169072314.db2.gz YSQIZDUWKPHLHF-JGVFFNPUSA-N 1 1 193.212 2.423 10 0 AEAEMO FC(F)(F)[C@H]1C[C@@H]2CCCC[N@H+]2C1 96102495 169072365 /nfs/dbraw/zinc/07/23/65/169072365.db2.gz YSQIZDUWKPHLHF-YUMQZZPRSA-N 1 1 193.212 2.423 10 0 AEAEMO FC(F)(F)[C@@H]1C[C@H]2CCCC[N@H+]2C1 108705159 169072413 /nfs/dbraw/zinc/07/24/13/169072413.db2.gz YSQIZDUWKPHLHF-HTQZYQBOSA-N 1 1 193.212 2.423 10 0 AEAEMO FC(F)(F)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 96102494 169072960 /nfs/dbraw/zinc/07/29/60/169072960.db2.gz YSQIZDUWKPHLHF-SFYZADRCSA-N 1 1 193.212 2.423 10 0 AEAEMO FC(F)C1([NH2+]C2CCCC2)CC1 306253529 169074263 /nfs/dbraw/zinc/07/42/63/169074263.db2.gz NFTSJBNGDXDHAS-UHFFFAOYSA-N 1 1 175.222 2.316 10 0 AEAEMO FC1=CCC[N@H+](C2CCC2)C1 306467425 169076380 /nfs/dbraw/zinc/07/63/80/169076380.db2.gz QOTNHDNCIXZUGB-UHFFFAOYSA-N 1 1 155.216 2.098 10 0 AEAEMO FC[C@H]1CCC[N@H+]1CC1CCC1 306384523 169077607 /nfs/dbraw/zinc/07/76/07/169077607.db2.gz WETQFLBSERBUGO-SNVBAGLBSA-N 1 1 171.259 2.220 10 0 AEAEMO FCCNc1cc[nH+]cc1Cl 306209797 169077612 /nfs/dbraw/zinc/07/76/12/169077612.db2.gz IKYRCOLGDSQWBV-UHFFFAOYSA-N 1 1 174.606 2.116 10 0 AEAEMO FCCC[N@H+]1CCc2sccc2C1 306188255 169078033 /nfs/dbraw/zinc/07/80/33/169078033.db2.gz AOZDUDCZOHFBSI-UHFFFAOYSA-N 1 1 199.294 2.466 10 0 AEAEMO FC[C@@H]1CCC[N@H+]1C1CCCC1 306631344 169078563 /nfs/dbraw/zinc/07/85/63/169078563.db2.gz NHPFAZJFZGXLON-JTQLQIEISA-N 1 1 171.259 2.363 10 0 AEAEMO FCCC[N@H+]1CCc2ccsc2C1 306509622 169078586 /nfs/dbraw/zinc/07/85/86/169078586.db2.gz CBZALDASVOUJAF-UHFFFAOYSA-N 1 1 199.294 2.466 10 0 AEAEMO FC[C@@H]1CCC[N@H+]1CC1CCC1 306384522 169078633 /nfs/dbraw/zinc/07/86/33/169078633.db2.gz WETQFLBSERBUGO-JTQLQIEISA-N 1 1 171.259 2.220 10 0 AEAEMO FC[C@H]1CCC[N@H+]1C1CCCC1 306631346 169079236 /nfs/dbraw/zinc/07/92/36/169079236.db2.gz NHPFAZJFZGXLON-SNVBAGLBSA-N 1 1 171.259 2.363 10 0 AEAEMO FCCC[N@H+]1CCCC12CCC2 306585930 169079292 /nfs/dbraw/zinc/07/92/92/169079292.db2.gz KOARKHHFBBJGRF-UHFFFAOYSA-N 1 1 171.259 2.365 10 0 AEAEMO F[C@H]1C[NH+](C2CCCCC2)C[C@@H]1F 98044316 169080236 /nfs/dbraw/zinc/08/02/36/169080236.db2.gz DSKZPSBKPCMZJX-UWVGGRQHSA-N 1 1 189.249 2.311 10 0 AEAEMO F[C@H]1C[N@H+](CC2CCCC2)C[C@H]1F 336269100 169080585 /nfs/dbraw/zinc/08/05/85/169080585.db2.gz HAJFNNWYHJTMJX-AOOOYVTPSA-N 1 1 189.249 2.168 10 0 AEAEMO F[C@H]1C[N@@H+](CC2CCCC2)C[C@H]1F 336269100 169080587 /nfs/dbraw/zinc/08/05/87/169080587.db2.gz HAJFNNWYHJTMJX-AOOOYVTPSA-N 1 1 189.249 2.168 10 0 AEAEMO F[C@H]1C[N@@H+](C2CCCCC2)C[C@H]1F 98044315 169080642 /nfs/dbraw/zinc/08/06/42/169080642.db2.gz DSKZPSBKPCMZJX-AOOOYVTPSA-N 1 1 189.249 2.311 10 0 AEAEMO F[C@H]1C[N@H+](C2CCCCC2)C[C@H]1F 98044315 169080644 /nfs/dbraw/zinc/08/06/44/169080644.db2.gz DSKZPSBKPCMZJX-AOOOYVTPSA-N 1 1 189.249 2.311 10 0 AEAEMO Fc1ccc(Cc2[nH]cc[nH+]2)cc1 82733955 169083367 /nfs/dbraw/zinc/08/33/67/169083367.db2.gz DLEZPRCCVUQICQ-UHFFFAOYSA-N 1 1 176.194 2.140 10 0 AEAEMO Fc1ccc(Cc2[nH]cc[nH+]2)cc1F 82733967 169083707 /nfs/dbraw/zinc/08/37/07/169083707.db2.gz NDWCMNGDARDFMV-UHFFFAOYSA-N 1 1 194.184 2.279 10 0 AEAEMO NC(=[NH2+])c1cc2cc(Cl)ccc2o1 77070026 169139753 /nfs/dbraw/zinc/13/97/53/169139753.db2.gz GFEXMBUWQXTYSH-UHFFFAOYSA-N 1 1 194.621 2.370 10 0 AEAEMO [NH2+]=C(c1ccco1)N1CCCCC1 62995422 169142956 /nfs/dbraw/zinc/14/29/56/169142956.db2.gz WXDAHGRIOBFGRY-UHFFFAOYSA-N 1 1 178.235 2.091 10 0 AEAEMO [NH2+]=Cc1c(O)ccc2occc12 39136392 169144574 /nfs/dbraw/zinc/14/45/74/169144574.db2.gz IAKLFOICPMYECL-UHFFFAOYSA-N 1 1 161.160 2.136 10 0 AEAEMO N=CN(c1cc[nH+]cc1)c1cccnc1 39117317 169144949 /nfs/dbraw/zinc/14/49/49/169144949.db2.gz BLTFORBPGVFYRK-UHFFFAOYSA-N 1 1 198.229 2.222 10 0 AEAEMO [NH2+]=C1COc2ccc(Cl)cc2N1 39321001 169145261 /nfs/dbraw/zinc/14/52/61/169145261.db2.gz DDACRSJCPWTGBY-UHFFFAOYSA-N 1 1 182.610 2.122 10 0 AEAEMO [NH3+]C1(CN2CCCCCC2)CCCC1 37479569 169169486 /nfs/dbraw/zinc/16/94/86/169169486.db2.gz RNEZRKGHRMLDJU-UHFFFAOYSA-N 1 1 196.338 2.134 10 0 AEAEMO [NH3+]CC(=O)c1cc2sccc2s1 82910668 169177422 /nfs/dbraw/zinc/17/74/22/169177422.db2.gz HVQYWTGNACOKMQ-UHFFFAOYSA-N 1 1 197.284 2.104 10 0 AEAEMO [NH3+]CC(=O)c1ccc2sccc2c1 75455429 169177429 /nfs/dbraw/zinc/17/74/29/169177429.db2.gz VWTCCGVFIUFGGJ-UHFFFAOYSA-N 1 1 191.255 2.043 10 0 AEAEMO NC[C@@H]1CCCC[N@H+]1C1CCCCC1 44540286 169206638 /nfs/dbraw/zinc/20/66/38/169206638.db2.gz HWNROLPBFSIDJQ-LBPRGKRZSA-N 1 1 196.338 2.132 10 0 AEAEMO NC[C@H]1CCCC[N@H+]1C1CCCCC1 44540284 169214703 /nfs/dbraw/zinc/21/47/03/169214703.db2.gz HWNROLPBFSIDJQ-GFCCVEGCSA-N 1 1 196.338 2.132 10 0 AEAEMO [NH3+]Cc1ccc(O)c(Cl)c1Cl 75580424 169223275 /nfs/dbraw/zinc/22/32/75/169223275.db2.gz KMLXKTVYDXLZAJ-UHFFFAOYSA-N 1 1 192.045 2.158 10 0 AEAEMO [NH3+]Cc1cccc(Nc2ccncc2)c1 70162365 169224411 /nfs/dbraw/zinc/22/44/11/169224411.db2.gz RYKFTFJZZKDRGG-UHFFFAOYSA-N 1 1 199.257 2.284 10 0 AEAEMO [NH3+]Cc1ncc(C2CCCCC2)o1 77268416 169231379 /nfs/dbraw/zinc/23/13/79/169231379.db2.gz CJFBOGMPALYIRY-UHFFFAOYSA-N 1 1 180.251 2.181 10 0 AEAEMO [NH3+]Cc1nnc(C2CCCCC2)s1 57490278 169233092 /nfs/dbraw/zinc/23/30/92/169233092.db2.gz OAOWJXKIMMZPHZ-UHFFFAOYSA-N 1 1 197.307 2.045 10 0 AEAEMO [NH3+][C@@H](c1ccc(F)cc1)c1ccco1 35379524 169248763 /nfs/dbraw/zinc/24/87/63/169248763.db2.gz ZOSCFQJTXGQKTC-NSHDSACASA-N 1 1 191.205 2.467 10 0 AEAEMO [NH3+][C@@H](c1cscn1)c1cccs1 62354789 169248878 /nfs/dbraw/zinc/24/88/78/169248878.db2.gz JKBGGRJRKMEIIE-QMMMGPOBSA-N 1 1 196.300 2.253 10 0 AEAEMO [NH3+][C@@H](c1ccco1)c1ccccc1F 41205152 169249080 /nfs/dbraw/zinc/24/90/80/169249080.db2.gz YOEAKFOPAYCQSI-LLVKDONJSA-N 1 1 191.205 2.467 10 0 AEAEMO [NH3+][C@@H](c1cccc(F)c1)c1ccco1 43607212 169249385 /nfs/dbraw/zinc/24/93/85/169249385.db2.gz YSAGQOAOJOWLKM-NSHDSACASA-N 1 1 191.205 2.467 10 0 AEAEMO [NH3+][C@@H](c1cccs1)c1cncs1 82688905 169249728 /nfs/dbraw/zinc/24/97/28/169249728.db2.gz TYFQHMUWVHPTBO-QMMMGPOBSA-N 1 1 196.300 2.253 10 0 AEAEMO [NH3+][C@@H](c1cccs1)c1nccs1 19929876 169249808 /nfs/dbraw/zinc/24/98/08/169249808.db2.gz CLPGUOPHBOMLPE-ZETCQYMHSA-N 1 1 196.300 2.253 10 0 AEAEMO [NH3+][C@@H](c1ccsc1)c1ccco1 43606788 169249890 /nfs/dbraw/zinc/24/98/90/169249890.db2.gz OQNOXDHNEIVRHJ-VIFPVBQESA-N 1 1 179.244 2.389 10 0 AEAEMO [NH3+][C@@H](c1ccco1)c1cccs1 35186323 169249943 /nfs/dbraw/zinc/24/99/43/169249943.db2.gz FERUGKABSMIZCP-VIFPVBQESA-N 1 1 179.244 2.389 10 0 AEAEMO [NH3+][C@@H](c1ccsc1)c1nccs1 41059842 169249963 /nfs/dbraw/zinc/24/99/63/169249963.db2.gz DMPNZDWKAFXGHT-ZETCQYMHSA-N 1 1 196.300 2.253 10 0 AEAEMO N[C@@H]1CCCCCC[C@@H]1[NH+]1CCCC1 23068497 169250346 /nfs/dbraw/zinc/25/03/46/169250346.db2.gz OCANPHPGKRMBJM-NEPJUHHUSA-N 1 1 196.338 2.132 10 0 AEAEMO N[C@@H]1CCCCCC[C@H]1[NH+]1CCCC1 23068501 169251170 /nfs/dbraw/zinc/25/11/70/169251170.db2.gz OCANPHPGKRMBJM-VXGBXAGGSA-N 1 1 196.338 2.132 10 0 AEAEMO [NH3+][C@@H]1CCCCC[C@@H]1N1CCCCC1 23068622 169251640 /nfs/dbraw/zinc/25/16/40/169251640.db2.gz ZTZADEOXKRBCPD-NEPJUHHUSA-N 1 1 196.338 2.132 10 0 AEAEMO [NH3+][C@@H]1CCCCC[C@H]1N1CCCCC1 23068625 169251782 /nfs/dbraw/zinc/25/17/82/169251782.db2.gz ZTZADEOXKRBCPD-VXGBXAGGSA-N 1 1 196.338 2.132 10 0 AEAEMO N[C@@H]1CC[N@H+](C2CCCCCCC2)C1 37240722 169254759 /nfs/dbraw/zinc/25/47/59/169254759.db2.gz AVYOCSKBTDSAGK-LLVKDONJSA-N 1 1 196.338 2.132 10 0 AEAEMO [NH3+][C@H](c1ccsc1)c1ccco1 43606785 169269397 /nfs/dbraw/zinc/26/93/97/169269397.db2.gz OQNOXDHNEIVRHJ-SECBINFHSA-N 1 1 179.244 2.389 10 0 AEAEMO [NH3+][C@H](c1cccc(F)c1)c1ccco1 43607215 169269679 /nfs/dbraw/zinc/26/96/79/169269679.db2.gz YSAGQOAOJOWLKM-LLVKDONJSA-N 1 1 191.205 2.467 10 0 AEAEMO [NH3+][C@H](c1cccs1)c1nccs1 19929879 169269720 /nfs/dbraw/zinc/26/97/20/169269720.db2.gz CLPGUOPHBOMLPE-SSDOTTSWSA-N 1 1 196.300 2.253 10 0 AEAEMO [NH3+][C@H](c1ccco1)c1cccs1 35186324 169269728 /nfs/dbraw/zinc/26/97/28/169269728.db2.gz FERUGKABSMIZCP-SECBINFHSA-N 1 1 179.244 2.389 10 0 AEAEMO [NH3+][C@H](c1cccs1)c1cncs1 82688906 169269738 /nfs/dbraw/zinc/26/97/38/169269738.db2.gz TYFQHMUWVHPTBO-MRVPVSSYSA-N 1 1 196.300 2.253 10 0 AEAEMO [NH3+][C@H](c1ccsc1)c1nccs1 41059843 169270186 /nfs/dbraw/zinc/27/01/86/169270186.db2.gz DMPNZDWKAFXGHT-SSDOTTSWSA-N 1 1 196.300 2.253 10 0 AEAEMO [NH3+][C@H](c1cscn1)c1cccs1 62354786 169270216 /nfs/dbraw/zinc/27/02/16/169270216.db2.gz JKBGGRJRKMEIIE-MRVPVSSYSA-N 1 1 196.300 2.253 10 0 AEAEMO [NH3+][C@H](c1ccc(F)cc1)c1ccco1 35379523 169270248 /nfs/dbraw/zinc/27/02/48/169270248.db2.gz ZOSCFQJTXGQKTC-LLVKDONJSA-N 1 1 191.205 2.467 10 0 AEAEMO [NH3+][C@H](c1ccco1)c1ccccc1F 41205151 169270277 /nfs/dbraw/zinc/27/02/77/169270277.db2.gz YOEAKFOPAYCQSI-NSHDSACASA-N 1 1 191.205 2.467 10 0 AEAEMO [NH3+][C@H]1CCCCC[C@H]1N1CCCCC1 23068627 169272024 /nfs/dbraw/zinc/27/20/24/169272024.db2.gz ZTZADEOXKRBCPD-NWDGAFQWSA-N 1 1 196.338 2.132 10 0 AEAEMO [NH3+][C@H]1CCCCC[C@@H]1N1CCCCC1 23068624 169272520 /nfs/dbraw/zinc/27/25/20/169272520.db2.gz ZTZADEOXKRBCPD-RYUDHWBXSA-N 1 1 196.338 2.132 10 0 AEAEMO N[C@H]1CCCCCC[C@H]1[NH+]1CCCC1 23068502 169272623 /nfs/dbraw/zinc/27/26/23/169272623.db2.gz OCANPHPGKRMBJM-NWDGAFQWSA-N 1 1 196.338 2.132 10 0 AEAEMO N[C@H]1CCCCCC[C@@H]1[NH+]1CCCC1 23068499 169272702 /nfs/dbraw/zinc/27/27/02/169272702.db2.gz OCANPHPGKRMBJM-RYUDHWBXSA-N 1 1 196.338 2.132 10 0 AEAEMO N[C@H]1CC[N@H+](C2CCCCCCC2)C1 37240720 169274498 /nfs/dbraw/zinc/27/44/98/169274498.db2.gz AVYOCSKBTDSAGK-NSHDSACASA-N 1 1 196.338 2.132 10 0 AEAEMO Nc1cc(-c2ccc(F)cc2)cc[nH+]1 44118590 169283978 /nfs/dbraw/zinc/28/39/78/169283978.db2.gz OHVLULJAKHTIKT-UHFFFAOYSA-N 1 1 188.205 2.470 10 0 AEAEMO Nc1cc(-c2ccc(O)cc2)cc[nH+]1 82730425 169284558 /nfs/dbraw/zinc/28/45/58/169284558.db2.gz LFEPAZMQQNIUOL-UHFFFAOYSA-N 1 1 186.214 2.036 10 0 AEAEMO Nc1cc(C2CCCC2)cc[nH+]1 44120340 169285498 /nfs/dbraw/zinc/28/54/98/169285498.db2.gz VVKOMDBWNAMPRJ-UHFFFAOYSA-N 1 1 162.236 2.321 10 0 AEAEMO Nc1ccc(NC2CCCC2)c[nH+]1 19952971 169292238 /nfs/dbraw/zinc/29/22/38/169292238.db2.gz SLGZWVWIMLOWDG-UHFFFAOYSA-N 1 1 177.251 2.018 10 0 AEAEMO Nc1ccc(NCc2ccccc2)c[nH+]1 19952994 169292494 /nfs/dbraw/zinc/29/24/94/169292494.db2.gz NBILPMZWXMBGHX-UHFFFAOYSA-N 1 1 199.257 2.276 10 0 AEAEMO Nc1ccc(NC2CCCCC2)c[nH+]1 19952966 169292834 /nfs/dbraw/zinc/29/28/34/169292834.db2.gz GFOBOEUEAFEQTR-UHFFFAOYSA-N 1 1 191.278 2.408 10 0 AEAEMO Nc1ccc(NC2CCCCC2)[nH+]c1 35656170 169292889 /nfs/dbraw/zinc/29/28/89/169292889.db2.gz BDTVRIPQRSEHTE-UHFFFAOYSA-N 1 1 191.278 2.408 10 0 AEAEMO Nc1ccc(NCC2CCCC2)[nH+]c1 37258349 169293201 /nfs/dbraw/zinc/29/32/01/169293201.db2.gz YOMKRJQCHJAZGG-UHFFFAOYSA-N 1 1 191.278 2.266 10 0 AEAEMO Nc1ccc(NCC2CCCC2)c[nH+]1 37258332 169293353 /nfs/dbraw/zinc/29/33/53/169293353.db2.gz CLNKHHZWDHBUOC-UHFFFAOYSA-N 1 1 191.278 2.266 10 0 AEAEMO Nc1ccc2c(c1)[nH+]cn2C1CCC1 52853470 169294467 /nfs/dbraw/zinc/29/44/67/169294467.db2.gz BYMHIBZRSYJIFW-UHFFFAOYSA-N 1 1 187.246 2.344 10 0 AEAEMO Nc1ccc2c(c1)C[N@@H+](C1CCC1)C2 52213339 169294483 /nfs/dbraw/zinc/29/44/83/169294483.db2.gz WCNIMCJYKDVHDD-UHFFFAOYSA-N 1 1 188.274 2.137 10 0 AEAEMO Nc1ccc2c(c1)[nH+]cn2CC1CC1 8699366 169294949 /nfs/dbraw/zinc/29/49/49/169294949.db2.gz DVIATCNCYVLXCH-UHFFFAOYSA-N 1 1 187.246 2.029 10 0 AEAEMO Nc1cccc(C2CCCC2)[nH+]1 44118518 169296964 /nfs/dbraw/zinc/29/69/64/169296964.db2.gz GTBGDEPTUJMNTO-UHFFFAOYSA-N 1 1 162.236 2.321 10 0 AEAEMO Nc1cccc2c1C[N@H+](C1CCC1)C2 52213335 169297989 /nfs/dbraw/zinc/29/79/89/169297989.db2.gz FHOJENJFJBQFPL-UHFFFAOYSA-N 1 1 188.274 2.137 10 0 AEAEMO Nc1cccc2[nH+]c(C3CC3)[nH]c12 36281878 169298038 /nfs/dbraw/zinc/29/80/38/169298038.db2.gz CQYAJSQEQAPDJE-UHFFFAOYSA-N 1 1 173.219 2.023 10 0 AEAEMO Nc1cc[nH+]c(-c2ccccc2F)c1 47203672 169299463 /nfs/dbraw/zinc/29/94/63/169299463.db2.gz BCAMPNACHNIWGQ-UHFFFAOYSA-N 1 1 188.205 2.470 10 0 AEAEMO Nc1ccc[nH+]c1NCC1CCCC1 37258341 169299652 /nfs/dbraw/zinc/29/96/52/169299652.db2.gz ZJRIWNHVFNRDCK-UHFFFAOYSA-N 1 1 191.278 2.266 10 0 AEAEMO Nc1cc[nH+]c2cc(F)c(F)c(F)c12 61122448 169300519 /nfs/dbraw/zinc/30/05/19/169300519.db2.gz JSCJXKQPYUCHNU-UHFFFAOYSA-N 1 1 198.147 2.234 10 0 AEAEMO Nc1[nH+]ccc2c1[nH]c1ccccc12 6117989 169309120 /nfs/dbraw/zinc/30/91/20/169309120.db2.gz CTVJIUHXFMNMFP-UHFFFAOYSA-N 1 1 183.214 2.298 10 0 AEAEMO Nc1[nH+]ccc2cc(F)cc(F)c12 71482627 169309279 /nfs/dbraw/zinc/30/92/79/169309279.db2.gz FWWNNMQMAMHUMZ-UHFFFAOYSA-N 1 1 180.157 2.095 10 0 AEAEMO Nc1[nH+]cccc1CCc1ccccc1 34183878 169309382 /nfs/dbraw/zinc/30/93/82/169309382.db2.gz KRRHNLVZYFVZDH-UHFFFAOYSA-N 1 1 198.269 2.449 10 0 AEAEMO O=C(C[NH+]1CCCC1)c1cccs1 3261875 169320770 /nfs/dbraw/zinc/32/07/70/169320770.db2.gz DZJPNEKOYFTYIO-UHFFFAOYSA-N 1 1 195.287 2.027 10 0 AEAEMO O=C1CC[N@@H+](C2CCCCCCC2)C1 37239863 169374071 /nfs/dbraw/zinc/37/40/71/169374071.db2.gz RJGNMWQLRPBFRO-UHFFFAOYSA-N 1 1 195.306 2.374 10 0 AEAEMO O=C1CC[N@H+](C2CCCCCCC2)C1 37239863 169374072 /nfs/dbraw/zinc/37/40/72/169374072.db2.gz RJGNMWQLRPBFRO-UHFFFAOYSA-N 1 1 195.306 2.374 10 0 AEAEMO Cc1ccc(C)c(C(F)(F)C[NH3+])c1 137039382 343983304 /nfs/dbraw/zinc/98/33/04/343983304.db2.gz WGOHMAXZFDTDMB-UHFFFAOYSA-N 1 1 185.217 2.354 10 0 AEAEMO OCC[C@@H]1CCCC[N@H+]1C1CCCC1 50104891 169430134 /nfs/dbraw/zinc/43/01/34/169430134.db2.gz AWGUXAUMUIJDFI-LBPRGKRZSA-N 1 1 197.322 2.166 10 0 AEAEMO Cc1cc(F)ccc1C(F)(F)C[NH3+] 137040525 343983315 /nfs/dbraw/zinc/98/33/15/343983315.db2.gz CIMCATKIIUXSIL-UHFFFAOYSA-N 1 1 189.180 2.185 10 0 AEAEMO c1csc(C[NH2+]Cc2cnco2)c1 41050816 169486787 /nfs/dbraw/zinc/48/67/87/169486787.db2.gz UAMIRHRGVRWFPY-UHFFFAOYSA-N 1 1 194.259 2.026 10 0 AEAEMO C1CCNC(=[NH+]OC2CCCC2)CC1 136988071 343983325 /nfs/dbraw/zinc/98/33/25/343983325.db2.gz UXPSOJQNLUCDMF-UHFFFAOYSA-N 1 1 196.294 2.423 10 0 AEAEMO C1CCC(=[NH+]OC2CCCC2)NC1 136988453 343983333 /nfs/dbraw/zinc/98/33/33/343983333.db2.gz FJFMDVAKAAKNRC-UHFFFAOYSA-N 1 1 182.267 2.033 10 0 AEAEMO Cc1ccc(C(F)(F)C[NH3+])c(C)c1 137041832 343983357 /nfs/dbraw/zinc/98/33/57/343983357.db2.gz OVFHGGNGSSPCOL-UHFFFAOYSA-N 1 1 185.217 2.354 10 0 AEAEMO Cc1ccsc1C(F)(F)C[NH3+] 137044424 343983359 /nfs/dbraw/zinc/98/33/59/343983359.db2.gz JTLGZNSFAWDWHM-UHFFFAOYSA-N 1 1 177.219 2.107 10 0 AEAEMO [NH3+]CC(F)(F)c1ccc(Cl)s1 137044265 343983361 /nfs/dbraw/zinc/98/33/61/343983361.db2.gz YWWXWGUDQSHZKM-UHFFFAOYSA-N 1 1 197.637 2.452 10 0 AEAEMO Cc1cccc(C(F)(F)C[NH3+])c1C 137041654 343983376 /nfs/dbraw/zinc/98/33/76/343983376.db2.gz UHCOWHPYRFYGFJ-UHFFFAOYSA-N 1 1 185.217 2.354 10 0 AEAEMO [NH3+]CC(F)(F)c1cc(F)ccc1F 137039450 343983380 /nfs/dbraw/zinc/98/33/80/343983380.db2.gz LAFXAHARLBMNHU-UHFFFAOYSA-N 1 1 193.143 2.015 10 0 AEAEMO Cc1ccc(C(F)(F)C[NH3+])cc1F 137040678 343983387 /nfs/dbraw/zinc/98/33/87/343983387.db2.gz ICZBYNOVLXWXRS-UHFFFAOYSA-N 1 1 189.180 2.185 10 0 AEAEMO Cc1cc(C(F)(F)C[NH3+])ccc1F 137043089 343983389 /nfs/dbraw/zinc/98/33/89/343983389.db2.gz JZRYOOSOJCIZBM-UHFFFAOYSA-N 1 1 189.180 2.185 10 0 AEAEMO C[C@H]1CCC[N@H+]2C[C@H](C)C[C@@H]12 145943415 344037000 /nfs/dbraw/zinc/03/70/00/344037000.db2.gz SGVIROOFVWDDEJ-UTLUCORTSA-N 1 1 153.269 2.127 10 0 AEAEMO CCN(CC)[C@@H](CC[NH3+])c1ccco1 11762642 171023660 /nfs/dbraw/zinc/02/36/60/171023660.db2.gz HPHIUJVHRBJDOY-JTQLQIEISA-N 1 1 196.294 2.011 10 0 AEAEMO C[N@@H+]1CC(C)(C)NC2(CCCCC2)C1 22911392 171043076 /nfs/dbraw/zinc/04/30/76/171043076.db2.gz PYAFWOWPDYRYRQ-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO C[N@H+]1CC(C)(C)NC2(CCCCC2)C1 22911392 171043079 /nfs/dbraw/zinc/04/30/79/171043079.db2.gz PYAFWOWPDYRYRQ-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO CCN(CC)[C@@H]1CCCCCC[C@@H]1[NH3+] 23070391 171043168 /nfs/dbraw/zinc/04/31/68/171043168.db2.gz UGZHQRVVAPWPJS-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CCN(CC)[C@@H]1CCCCCC[C@H]1[NH3+] 23070394 171043511 /nfs/dbraw/zinc/04/35/11/171043511.db2.gz UGZHQRVVAPWPJS-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO C[N@H+]1CCC2=C(Cc3ccccc32)C1 26292980 171045009 /nfs/dbraw/zinc/04/50/09/171045009.db2.gz BPGPBEYOYLIMCC-UHFFFAOYSA-N 1 1 185.270 2.332 10 0 biogenic,in-vitro AEAEMO C[N@H+]1CCc2c[nH]c3cccc(c23)C1 27710856 171047146 /nfs/dbraw/zinc/04/71/46/171047146.db2.gz CLOHLCGYYLTLCS-UHFFFAOYSA-N 1 1 186.258 2.156 10 0 AEAEMO C[N@H+]1CCCC[C@@H]1c1ccccn1 32132925 171049954 /nfs/dbraw/zinc/04/99/54/171049954.db2.gz QXZRRKPSLHBRRW-LLVKDONJSA-N 1 1 176.263 2.238 10 0 AEAEMO C[N@H+]1CCCC[C@H]1c1ccccn1 32132927 171049991 /nfs/dbraw/zinc/04/99/91/171049991.db2.gz QXZRRKPSLHBRRW-NSHDSACASA-N 1 1 176.263 2.238 10 0 AEAEMO COC(=[NH2+])C1CCCCC1 34091382 171053085 /nfs/dbraw/zinc/05/30/85/171053085.db2.gz LISVYUBFCHWPDZ-UHFFFAOYSA-N 1 1 141.214 2.190 10 0 AEAEMO C[N@H+]1CCc2c(Cl)cccc2C1 34449548 171055327 /nfs/dbraw/zinc/05/53/27/171055327.db2.gz AQRBCTDYIKENMA-UHFFFAOYSA-N 1 1 181.666 2.328 10 0 AEAEMO CC(C)(C)[C@@H](N)[C@H]([NH3+])c1ccccc1 34450300 171055507 /nfs/dbraw/zinc/05/55/07/171055507.db2.gz CWOBHRRVNKFADD-MNOVXSKESA-N 1 1 192.306 2.060 10 0 AEAEMO c1ccc(CCc2[nH]cc[nH+]2)cc1 34593009 171056240 /nfs/dbraw/zinc/05/62/40/171056240.db2.gz BODVSESPBZOELC-UHFFFAOYSA-N 1 1 172.231 2.195 10 0 AEAEMO C[N@H+]1CCCC[C@@H]1[C@@H]1CCCCC1=O 34571230 171056247 /nfs/dbraw/zinc/05/62/47/171056247.db2.gz SVVFNFDAGSMHFS-WDEREUQCSA-N 1 1 195.306 2.230 10 0 AEAEMO C[N@H+]1CCCC[C@H]1[C@@H]1CCCCC1=O 34571232 171056542 /nfs/dbraw/zinc/05/65/42/171056542.db2.gz SVVFNFDAGSMHFS-QWRGUYRKSA-N 1 1 195.306 2.230 10 0 AEAEMO CCCCc1[nH+]c[nH]c1CC 34616255 171056757 /nfs/dbraw/zinc/05/67/57/171056757.db2.gz LJIAAIOUUCAFLO-UHFFFAOYSA-N 1 1 152.241 2.315 10 0 AEAEMO CCCCc1[nH]c[nH+]c1CC 34616255 171056759 /nfs/dbraw/zinc/05/67/59/171056759.db2.gz LJIAAIOUUCAFLO-UHFFFAOYSA-N 1 1 152.241 2.315 10 0 AEAEMO C=Cc1c(C)c[nH+]c(C)c1O 39049930 171064557 /nfs/dbraw/zinc/06/45/57/171064557.db2.gz BCTMEMSYIYBABX-UHFFFAOYSA-N 1 1 149.193 2.047 10 0 AEAEMO CCCCc1ccc(N)[nH+]c1 39048612 171071387 /nfs/dbraw/zinc/07/13/87/171071387.db2.gz HMENCODZBOKPIA-UHFFFAOYSA-N 1 1 150.225 2.006 10 0 AEAEMO Cc1cc[nH+]c(N)c1-c1cccnc1 47212375 171093317 /nfs/dbraw/zinc/09/33/17/171093317.db2.gz IBHVIXAOXZMRRW-UHFFFAOYSA-N 1 1 185.230 2.034 10 0 AEAEMO Cc1cc[nH+]c(N)c1-c1ccncc1 47212377 171093569 /nfs/dbraw/zinc/09/35/69/171093569.db2.gz LGWDEMYURPZAGL-UHFFFAOYSA-N 1 1 185.230 2.034 10 0 AEAEMO CC1(C)CO[C@@H](c2ccccc2F)[NH2+]1 49811468 171095017 /nfs/dbraw/zinc/09/50/17/171095017.db2.gz YUAGUNDQKPYGML-JTQLQIEISA-N 1 1 195.237 2.223 10 0 AEAEMO CC1(C)CO[C@H](c2ccccc2F)[NH2+]1 49811467 171095044 /nfs/dbraw/zinc/09/50/44/171095044.db2.gz YUAGUNDQKPYGML-SNVBAGLBSA-N 1 1 195.237 2.223 10 0 AEAEMO CC(C)[C@@H]1COCC[N@H+]1C(C)(C)C 148599525 344056422 /nfs/dbraw/zinc/05/64/22/344056422.db2.gz OOMRBOCIVPUKTG-JTQLQIEISA-N 1 1 185.311 2.142 10 0 AEAEMO Cc1ccccc1N[C@H]1CC[N@H+](C)C1 61984696 171102967 /nfs/dbraw/zinc/10/29/67/171102967.db2.gz JBROHDJYHHYKNC-NSHDSACASA-N 1 1 190.290 2.111 10 0 AEAEMO Cc1ccccc1N[C@@H]1CC[N@H+](C)C1 61984695 171103144 /nfs/dbraw/zinc/10/31/44/171103144.db2.gz JBROHDJYHHYKNC-LLVKDONJSA-N 1 1 190.290 2.111 10 0 AEAEMO c1c(C[NH+]2CCCC2)noc1C1CC1 64556197 171104335 /nfs/dbraw/zinc/10/43/35/171104335.db2.gz JJEJXUBQZFBQME-UHFFFAOYSA-N 1 1 192.262 2.148 10 0 AEAEMO Oc1c(F)cc([C@H]2CCC[NH2+]2)cc1F 72201765 171109014 /nfs/dbraw/zinc/10/90/14/171109014.db2.gz HCUTVTFAPLRVQQ-SECBINFHSA-N 1 1 199.200 2.095 10 0 AEAEMO Oc1c(F)cc([C@@H]2CCC[NH2+]2)cc1F 72201764 171109456 /nfs/dbraw/zinc/10/94/56/171109456.db2.gz HCUTVTFAPLRVQQ-VIFPVBQESA-N 1 1 199.200 2.095 10 0 AEAEMO C[N@H+]1CCCC[C@@H]1C1CCC(O)CC1 75906997 171115519 /nfs/dbraw/zinc/11/55/19/171115519.db2.gz WEJWDPUIMOHMFY-HTAVTVPLSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@H+]1CCCC[C@H]1c1ccc(N)cc1 75906678 171115532 /nfs/dbraw/zinc/11/55/32/171115532.db2.gz TUUGFZAAVIRKOC-LBPRGKRZSA-N 1 1 190.290 2.426 10 0 AEAEMO C[N@H+]1CCCC[C@@H]1c1ccc(N)cc1 75906677 171115609 /nfs/dbraw/zinc/11/56/09/171115609.db2.gz TUUGFZAAVIRKOC-GFCCVEGCSA-N 1 1 190.290 2.426 10 0 AEAEMO C[N@H+]1CCCC[C@H]1C1CCC(O)CC1 75906999 171115667 /nfs/dbraw/zinc/11/56/67/171115667.db2.gz WEJWDPUIMOHMFY-MCIGGMRASA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@H+]1CCCC[C@H]1c1cccc(N)c1 75906680 171115717 /nfs/dbraw/zinc/11/57/17/171115717.db2.gz YLSDEYHTGMRGAO-LBPRGKRZSA-N 1 1 190.290 2.426 10 0 AEAEMO C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H](O)C1 75906993 171115729 /nfs/dbraw/zinc/11/57/29/171115729.db2.gz ZPEVGKKKQATXIC-GRYCIOLGSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@H+]1CCCC[C@@H]1c1ccccc1N 75906683 171115947 /nfs/dbraw/zinc/11/59/47/171115947.db2.gz YRBFHCXBZFXXFC-GFCCVEGCSA-N 1 1 190.290 2.426 10 0 AEAEMO C[N@H+]1CCCC[C@H]1c1ccccc1N 75906684 171115995 /nfs/dbraw/zinc/11/59/95/171115995.db2.gz YRBFHCXBZFXXFC-LBPRGKRZSA-N 1 1 190.290 2.426 10 0 AEAEMO C[N@H+]1CCCC[C@@H]1c1cccc(N)c1 75906679 171116065 /nfs/dbraw/zinc/11/60/65/171116065.db2.gz YLSDEYHTGMRGAO-GFCCVEGCSA-N 1 1 190.290 2.426 10 0 AEAEMO FC(F)(F)[C@@H]1CCc2[nH+]c[nH]c2C1 76087284 171116375 /nfs/dbraw/zinc/11/63/75/171116375.db2.gz BTBHXXNKRUXLLS-RXMQYKEDSA-N 1 1 190.168 2.077 10 0 AEAEMO FC(F)(F)[C@@H]1CCc2[nH]c[nH+]c2C1 76087284 171116377 /nfs/dbraw/zinc/11/63/77/171116377.db2.gz BTBHXXNKRUXLLS-RXMQYKEDSA-N 1 1 190.168 2.077 10 0 AEAEMO [NH3+]CC(=O)c1csc2ccccc12 82636651 171124134 /nfs/dbraw/zinc/12/41/34/171124134.db2.gz YQGBCFBMHZVHTL-UHFFFAOYSA-N 1 1 191.255 2.043 10 0 AEAEMO CC(=O)CCCC[N@@H+]1CC[C@H](C)C1 40719127 171133184 /nfs/dbraw/zinc/13/31/84/171133184.db2.gz PHGHRHADAUOEGZ-JTQLQIEISA-N 1 1 183.295 2.088 10 0 AEAEMO CC(=O)CCCC[N@@H+]1CC[C@@H](C)C1 40719125 171133277 /nfs/dbraw/zinc/13/32/77/171133277.db2.gz PHGHRHADAUOEGZ-SNVBAGLBSA-N 1 1 183.295 2.088 10 0 AEAEMO CC(C)c1cc[nH+]c(N)c1OC1CC1 95722382 171137431 /nfs/dbraw/zinc/13/74/31/171137431.db2.gz KRFXCTGDIDGEBD-UHFFFAOYSA-N 1 1 192.262 2.328 10 0 AEAEMO [NH3+]CC(F)(F)c1cccc(Cl)c1 95764058 171139204 /nfs/dbraw/zinc/13/92/04/171139204.db2.gz ZKKOMRFQUJVOOR-UHFFFAOYSA-N 1 1 191.608 2.391 10 0 AEAEMO NC1=C2CCC[N@H+]2[C@H]2CCCC[C@@H]2C1 100117621 171143655 /nfs/dbraw/zinc/14/36/55/171143655.db2.gz NUJXHCJESPOTEF-KOLCDFICSA-N 1 1 192.306 2.215 10 0 AEAEMO NC1=C2CCC[N@H+]2[C@@H]2CCCC[C@H]2C1 100117610 171143712 /nfs/dbraw/zinc/14/37/12/171143712.db2.gz NUJXHCJESPOTEF-GXSJLCMTSA-N 1 1 192.306 2.215 10 0 AEAEMO NC1=C2CCC[N@H+]2[C@@H]2CCCC[C@@H]2C1 100117616 171143766 /nfs/dbraw/zinc/14/37/66/171143766.db2.gz NUJXHCJESPOTEF-MWLCHTKSSA-N 1 1 192.306 2.215 10 0 AEAEMO NC1=C2CCC[N@H+]2[C@H]2CCCC[C@H]2C1 100117614 171143802 /nfs/dbraw/zinc/14/38/02/171143802.db2.gz NUJXHCJESPOTEF-ONGXEEELSA-N 1 1 192.306 2.215 10 0 AEAEMO CC(=O)CCC[N@@H+](CC1CC1)C(C)C 42588131 171148064 /nfs/dbraw/zinc/14/80/64/171148064.db2.gz SMHOMYTWLWNUQZ-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CCCCc1c[nH]c(C)[nH+]1 104736500 171148292 /nfs/dbraw/zinc/14/82/92/171148292.db2.gz YMRPKBLFDBUOAJ-UHFFFAOYSA-N 1 1 138.214 2.061 10 0 AEAEMO CCN(CC)[C@@H]([C@@H](C)[NH3+])C(C)(C)C 43291340 171150684 /nfs/dbraw/zinc/15/06/84/171150684.db2.gz WYLPKCVSNFAQCW-ZJUUUORDSA-N 1 1 186.343 2.090 10 0 AEAEMO CCN(CC)[C@@H]([C@H](C)[NH3+])C(C)(C)C 43291344 171150688 /nfs/dbraw/zinc/15/06/88/171150688.db2.gz WYLPKCVSNFAQCW-UWVGGRQHSA-N 1 1 186.343 2.090 10 0 AEAEMO CC(=O)CCC[N@H+](C)CC(C)(C)C 45084497 171152935 /nfs/dbraw/zinc/15/29/35/171152935.db2.gz GKMMUQZZUDZRMJ-UHFFFAOYSA-N 1 1 185.311 2.334 10 0 AEAEMO CC(=O)CCCC[N@H+]1C[C@H]2CC[C@@H]1C2 49716343 171154227 /nfs/dbraw/zinc/15/42/27/171154227.db2.gz XKXZHGADTZBOTK-NWDGAFQWSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)(C)C(=O)C[N@H+]1C[C@H]2CC[C@@H]1C2 49716373 171154520 /nfs/dbraw/zinc/15/45/20/171154520.db2.gz BRGKKMSKUKYTHP-VHSXEESVSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[NH+](CC)CC1(CN)CCCCC1 49811920 171155219 /nfs/dbraw/zinc/15/52/19/171155219.db2.gz SNFXUHCOENOTMN-UHFFFAOYSA-N 1 1 198.354 2.237 10 0 AEAEMO CC(=O)CCC[N@H+](C)Cc1ccco1 50133936 171155845 /nfs/dbraw/zinc/15/58/45/171155845.db2.gz KKMXNSYKQNWYTJ-UHFFFAOYSA-N 1 1 195.262 2.081 10 0 AEAEMO CC[C@@H]1CC[N@@H+](Cc2cncs2)C1 306148865 171156568 /nfs/dbraw/zinc/15/65/68/171156568.db2.gz CVYCWXAWJMLXDH-SECBINFHSA-N 1 1 196.319 2.375 10 0 AEAEMO CC[C@@H]1CC[N@H+](C2CCC2)C1 306184016 171157014 /nfs/dbraw/zinc/15/70/14/171157014.db2.gz LEOVPJBPCUREOE-SECBINFHSA-N 1 1 153.269 2.271 10 0 AEAEMO c1cc(C[N@H+]2CCC23CCC3)c[nH]1 306301772 171157160 /nfs/dbraw/zinc/15/71/60/171157160.db2.gz ZOGLPEDYTXBKKR-UHFFFAOYSA-N 1 1 176.263 2.143 10 0 AEAEMO Cc1cc[nH+]c(N(C)CC2CC2)c1 306295467 171157513 /nfs/dbraw/zinc/15/75/13/171157513.db2.gz ZLQHYCAUBGJKHI-UHFFFAOYSA-N 1 1 176.263 2.236 10 0 AEAEMO CC[C@@H]1CC[N@@H+](Cc2cc[nH]c2)C1 306298440 171157653 /nfs/dbraw/zinc/15/76/53/171157653.db2.gz XQQRUWOJTFBZGQ-SNVBAGLBSA-N 1 1 178.279 2.247 10 0 AEAEMO CC[NH+](CC)CC(CC)(CC)CN 51208542 171159255 /nfs/dbraw/zinc/15/92/55/171159255.db2.gz KUZDCBYGHARRFF-UHFFFAOYSA-N 1 1 186.343 2.093 10 0 AEAEMO CN1CCCC[C@@H]1CC[NH2+]C(C)(C)C 52205417 171161441 /nfs/dbraw/zinc/16/14/41/171161441.db2.gz REWBNLCUIDTKAQ-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CN1CCCC[C@H]1CC[NH2+]C(C)(C)C 52205416 171161719 /nfs/dbraw/zinc/16/17/19/171161719.db2.gz REWBNLCUIDTKAQ-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CN1CCCC[C@H]1CC[NH2+]C1CCC1 52209548 171161987 /nfs/dbraw/zinc/16/19/87/171161987.db2.gz UDUTWTAMVOFDMM-LBPRGKRZSA-N 1 1 196.338 2.003 10 0 AEAEMO CN1CCCC[C@@H]1CC[NH2+]C1CCC1 52209546 171162064 /nfs/dbraw/zinc/16/20/64/171162064.db2.gz UDUTWTAMVOFDMM-GFCCVEGCSA-N 1 1 196.338 2.003 10 0 AEAEMO c1ccc(C[N@H+]2CCC23CCC3)nc1 334908517 171163412 /nfs/dbraw/zinc/16/34/12/171163412.db2.gz VMMZILQIIUVNEY-UHFFFAOYSA-N 1 1 188.274 2.210 10 0 AEAEMO C[N@@H+]1CCCCc2cc(N)ccc21 82398581 171170899 /nfs/dbraw/zinc/17/08/99/171170899.db2.gz QQDQUWZZMUOQKN-UHFFFAOYSA-N 1 1 176.263 2.041 10 0 AEAEMO C[N@H+]1CCCCc2cc(N)ccc21 82398581 171170900 /nfs/dbraw/zinc/17/09/00/171170900.db2.gz QQDQUWZZMUOQKN-UHFFFAOYSA-N 1 1 176.263 2.041 10 0 AEAEMO Cc1ccc2[nH]c(NC3CC3)nc2c1 82739719 171175226 /nfs/dbraw/zinc/17/52/26/171175226.db2.gz NPPSKODYAPDXAT-UHFFFAOYSA-N 1 1 187.246 2.446 10 0 AEAEMO Cc1ccc2[nH]c(NC3CC3)[nH+]c2c1 82739719 171175228 /nfs/dbraw/zinc/17/52/28/171175228.db2.gz NPPSKODYAPDXAT-UHFFFAOYSA-N 1 1 187.246 2.446 10 0 AEAEMO CO[C@@H](C)C[N@H+]1CCCC12CCC2 306929748 171177893 /nfs/dbraw/zinc/17/78/93/171177893.db2.gz AZWJETITOSLRNV-JTQLQIEISA-N 1 1 183.295 2.040 10 0 AEAEMO C[C@H]1CC[C@@H](C)[N@H+]1Cc1cc[nH]c1 307573085 171179811 /nfs/dbraw/zinc/17/98/11/171179811.db2.gz GAEABUPNRTVIIX-AOOOYVTPSA-N 1 1 178.279 2.388 10 0 AEAEMO c1cncc(C[N@H+]2CCC23CCC3)c1 335797271 171186011 /nfs/dbraw/zinc/18/60/11/171186011.db2.gz XIBPOUCFLNVXLR-UHFFFAOYSA-N 1 1 188.274 2.210 10 0 AEAEMO C[C@H]1CC[C@@H](C)[N@@H+](Cc2cnc[nH]2)C1 335723356 171186166 /nfs/dbraw/zinc/18/61/66/171186166.db2.gz XYLAFLATCGUYNQ-VHSXEESVSA-N 1 1 193.294 2.030 10 0 AEAEMO C[C@H]1CC[C@@H](C)[N@H+](Cc2c[nH]cn2)C1 335723356 171186168 /nfs/dbraw/zinc/18/61/68/171186168.db2.gz XYLAFLATCGUYNQ-VHSXEESVSA-N 1 1 193.294 2.030 10 0 AEAEMO C[C@H]1CC[C@@H](C)[N@@H+](Cc2c[nH]cn2)C1 335723356 171186169 /nfs/dbraw/zinc/18/61/69/171186169.db2.gz XYLAFLATCGUYNQ-VHSXEESVSA-N 1 1 193.294 2.030 10 0 AEAEMO C[C@H]1CC2(CCC2)C[N@H+]1CC(C)(C)O 334286440 171191023 /nfs/dbraw/zinc/19/10/23/171191023.db2.gz CIIYXINZPZPEAV-JTQLQIEISA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1CC2(CCC2)C[N@H+]1CC(C)(C)O 334286444 171191214 /nfs/dbraw/zinc/19/12/14/171191214.db2.gz CIIYXINZPZPEAV-SNVBAGLBSA-N 1 1 197.322 2.022 10 0 AEAEMO c1cc(C[N@H+]2CCC23CCC3)ccn1 334440138 171191606 /nfs/dbraw/zinc/19/16/06/171191606.db2.gz VYYQOSJRJSXMNN-UHFFFAOYSA-N 1 1 188.274 2.210 10 0 AEAEMO C[C@H]1CC[C@@H](C)C[N@@H+]1CCC1(O)CC1 334380432 171191677 /nfs/dbraw/zinc/19/16/77/171191677.db2.gz INOZPXBLCYESSS-MNOVXSKESA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC1CC1 334367619 171191708 /nfs/dbraw/zinc/19/17/08/171191708.db2.gz KSVXUCJRDDLDPH-WCBMZHEXSA-N 1 1 196.294 2.032 10 0 AEAEMO C[C@H]1CC[C@@H](C)[N@@H+](CCC2(O)CC2)C1 334380436 171191847 /nfs/dbraw/zinc/19/18/47/171191847.db2.gz INOZPXBLCYESSS-WDEREUQCSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)c1cccc2nc(C[NH3+])oc12 62520798 171197619 /nfs/dbraw/zinc/19/76/19/171197619.db2.gz HRPPKVMADRDRAB-UHFFFAOYSA-N 1 1 190.246 2.410 10 0 AEAEMO CO[C@@H](C)C[N@H+]1CC2(CCC2)C[C@H]1C 334676809 171199826 /nfs/dbraw/zinc/19/98/26/171199826.db2.gz OLPZEWBSOJEVBT-MNOVXSKESA-N 1 1 197.322 2.286 10 0 AEAEMO CO[C@@H](C)C[N@H+]1CC2(CCC2)C[C@@H]1C 334676811 171199848 /nfs/dbraw/zinc/19/98/48/171199848.db2.gz OLPZEWBSOJEVBT-QWRGUYRKSA-N 1 1 197.322 2.286 10 0 AEAEMO CC(C)(O)CC[N@H+]1CCCC12CCC2 335311096 171202373 /nfs/dbraw/zinc/20/23/73/171202373.db2.gz RPTRLAKAPVJLGO-UHFFFAOYSA-N 1 1 197.322 2.166 10 0 AEAEMO F[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 335467216 171202902 /nfs/dbraw/zinc/20/29/02/171202902.db2.gz CWEWPGVYQNOHBF-MRVPVSSYSA-N 1 1 193.212 2.076 10 0 AEAEMO CO[C@@H](C)C[N@H+]1CCC(C)=C(C)C1 335592558 171204075 /nfs/dbraw/zinc/20/40/75/171204075.db2.gz HMDPATTVYKZEOD-NSHDSACASA-N 1 1 183.295 2.063 10 0 AEAEMO c1cc(C[N@H+]2CCCC23CCC3)on1 335874242 171205597 /nfs/dbraw/zinc/20/55/97/171205597.db2.gz RLGKGVFRBDZWBY-UHFFFAOYSA-N 1 1 192.262 2.193 10 0 AEAEMO c1cc(C[N@H+]2CCCC23CCC3)no1 335871378 171205810 /nfs/dbraw/zinc/20/58/10/171205810.db2.gz QAELWOIOGJCRGJ-UHFFFAOYSA-N 1 1 192.262 2.193 10 0 AEAEMO CC[C@@H]1CC[N@@H+](Cc2conc2C)C1 335975726 171208574 /nfs/dbraw/zinc/20/85/74/171208574.db2.gz JKLPRZSOQVRREN-SNVBAGLBSA-N 1 1 194.278 2.215 10 0 AEAEMO C[C@H]1CC[C@@H](C)[N@@H+](Cc2ccon2)C1 336010036 171208702 /nfs/dbraw/zinc/20/87/02/171208702.db2.gz CLCHOBHFDJJIIT-VHSXEESVSA-N 1 1 194.278 2.295 10 0 AEAEMO CC[C@@H]1CC[N@@H+](CC2=CCCOC2)C1 335947701 171208731 /nfs/dbraw/zinc/20/87/31/171208731.db2.gz IDCAVKQUZHAEJQ-LLVKDONJSA-N 1 1 195.306 2.065 10 0 AEAEMO C[C@H]1CC[C@@H](C)C[N@@H+]1Cc1ccon1 336010037 171209014 /nfs/dbraw/zinc/20/90/14/171209014.db2.gz CLCHOBHFDJJIIT-ZJUUUORDSA-N 1 1 194.278 2.295 10 0 AEAEMO c1cc(C[N@H+]2CC[C@@H]2C2CC2)ccn1 336215187 171209277 /nfs/dbraw/zinc/20/92/77/171209277.db2.gz ASUJRQUYGIIMHS-GFCCVEGCSA-N 1 1 188.274 2.066 10 0 AEAEMO c1cc(C[N@H+]2CC[C@H]2C2CC2)ccn1 336215188 171209384 /nfs/dbraw/zinc/20/93/84/171209384.db2.gz ASUJRQUYGIIMHS-LBPRGKRZSA-N 1 1 188.274 2.066 10 0 AEAEMO c1cncc(C[N@H+]2CC[C@H]2C2CC2)c1 336215430 171209732 /nfs/dbraw/zinc/20/97/32/171209732.db2.gz MHRVUAJBQMGYOI-LBPRGKRZSA-N 1 1 188.274 2.066 10 0 AEAEMO C[C@H]1CC2(CCC2)C[N@@H+]1CC[C@@H](C)O 336272870 171209906 /nfs/dbraw/zinc/20/99/06/171209906.db2.gz GPTLWSUIEXKOFQ-WDEREUQCSA-N 1 1 197.322 2.022 10 0 AEAEMO c1cncc(C[N@H+]2CC[C@@H]2C2CC2)c1 336215429 171209961 /nfs/dbraw/zinc/20/99/61/171209961.db2.gz MHRVUAJBQMGYOI-GFCCVEGCSA-N 1 1 188.274 2.066 10 0 AEAEMO C[C@H]1CC[C@@H](C)[N@@H+](Cc2ccno2)C1 336427682 171210270 /nfs/dbraw/zinc/21/02/70/171210270.db2.gz RCGPFAILGIKNGH-VHSXEESVSA-N 1 1 194.278 2.295 10 0 AEAEMO C[C@H]1CC[C@@H](C)C[N@@H+]1Cc1ccno1 336427683 171210559 /nfs/dbraw/zinc/21/05/59/171210559.db2.gz RCGPFAILGIKNGH-ZJUUUORDSA-N 1 1 194.278 2.295 10 0 AEAEMO CC1(C)COCC[N@H+]1C1CCCC1 336344730 171210822 /nfs/dbraw/zinc/21/08/22/171210822.db2.gz ZQBKQKXEPSAVKO-UHFFFAOYSA-N 1 1 183.295 2.040 10 0 AEAEMO c1csc(C[N@@H+]2CCC23CCC3)n1 306343154 171213920 /nfs/dbraw/zinc/21/39/20/171213920.db2.gz CPESPRHGXSRHMT-UHFFFAOYSA-N 1 1 194.303 2.272 10 0 AEAEMO c1csc(C[N@H+]2CCC23CCC3)n1 306343154 171213921 /nfs/dbraw/zinc/21/39/21/171213921.db2.gz CPESPRHGXSRHMT-UHFFFAOYSA-N 1 1 194.303 2.272 10 0 AEAEMO C[Si](C)(C)Nc1cccc[nH+]1 196143933 171218789 /nfs/dbraw/zinc/21/87/89/171218789.db2.gz BHHCXSLGZPPATH-UHFFFAOYSA-N 1 1 166.300 2.328 10 0 AEAEMO C[N@H+]1CCC[C@@H](Oc2ccccc2)C1 67175862 171219084 /nfs/dbraw/zinc/21/90/84/171219084.db2.gz ZDRSBLWRKCVNAM-GFCCVEGCSA-N 1 1 191.274 2.160 10 0 AEAEMO C[N@H+]1CCCCc2ccccc2C1 1695352 171220904 /nfs/dbraw/zinc/22/09/04/171220904.db2.gz RATORJMYQGPUIE-UHFFFAOYSA-N 1 1 175.275 2.455 10 0 AEAEMO COc1ccccc1Cc1[nH]cc[nH+]1 82733957 171222284 /nfs/dbraw/zinc/22/22/84/171222284.db2.gz XBHMDKMHHGLTSB-UHFFFAOYSA-N 1 1 188.230 2.009 10 0 AEAEMO C[N@H+]1CCC=C(c2ccccc2)C1 32211732 171225518 /nfs/dbraw/zinc/22/55/18/171225518.db2.gz QKROHGALCSHSER-UHFFFAOYSA-N 1 1 173.259 2.406 10 0 AEAEMO C=Cc1cc(C)[nH+]c(C)c1 114450342 171226445 /nfs/dbraw/zinc/22/64/45/171226445.db2.gz AHTKGFIYHBHGAM-UHFFFAOYSA-N 1 1 133.194 2.341 10 0 AEAEMO CC[C@@H]1CCCC[N@@H+](C)C1 149929204 344073716 /nfs/dbraw/zinc/07/37/16/344073716.db2.gz RRSAUUMRKURNOF-SECBINFHSA-N 1 1 141.258 2.128 10 0 AEAEMO CC1(C)CCC[C@@H]([N@@H+]2CCC(=O)C2)C1 150033285 344075609 /nfs/dbraw/zinc/07/56/09/344075609.db2.gz UPVLYEYVZZBLCY-SNVBAGLBSA-N 1 1 195.306 2.230 10 0 AEAEMO CC1(C)CCC[C@@H]([N@H+]2CCC(=O)C2)C1 150033285 344075610 /nfs/dbraw/zinc/07/56/10/344075610.db2.gz UPVLYEYVZZBLCY-SNVBAGLBSA-N 1 1 195.306 2.230 10 0 AEAEMO CCCC[C@@]1(O)CC[N@@H+](C)[C@H](C)C1 156715677 344094150 /nfs/dbraw/zinc/09/41/50/344094150.db2.gz KAUGSOGRCALNKJ-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO CC(C)c1csc(C[NH+](C)C)n1 157110438 344100543 /nfs/dbraw/zinc/10/05/43/344100543.db2.gz MBPJEQONGOHSEM-UHFFFAOYSA-N 1 1 184.308 2.328 10 0 AEAEMO CC1(C)CC[N@H+](C2CCC(=O)CC2)C1 157253532 344102103 /nfs/dbraw/zinc/10/21/03/344102103.db2.gz ASJKOPYRAXWJBR-UHFFFAOYSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@@H]1CCCCC[N@H+]1CCCCO 157241584 344102208 /nfs/dbraw/zinc/10/22/08/344102208.db2.gz YFBDRLCOEFQATC-GFCCVEGCSA-N 1 1 199.338 2.414 10 0 AEAEMO CC[C@H]1CCCCC[N@H+]1CCCCO 157241729 344102210 /nfs/dbraw/zinc/10/22/10/344102210.db2.gz YFBDRLCOEFQATC-LBPRGKRZSA-N 1 1 199.338 2.414 10 0 AEAEMO CC[C@@H]1CC[N@H+](C2CCC(=O)CC2)C1 157260659 344102750 /nfs/dbraw/zinc/10/27/50/344102750.db2.gz IGIHCJGYQASDQZ-SNVBAGLBSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@H]1C[C@@H](C)C[N@H+]1[C@@H]1CCC[C@H](O)C1 158154194 344119751 /nfs/dbraw/zinc/11/97/51/344119751.db2.gz VKWAMHUAMQEJKF-KXNHARMFSA-N 1 1 197.322 2.020 10 0 AEAEMO CC[C@@H]1CCCCC[N@H+]1CC(C)(C)O 159203557 344140276 /nfs/dbraw/zinc/14/02/76/344140276.db2.gz CBMOLJIAOIVQOE-LLVKDONJSA-N 1 1 199.338 2.412 10 0 AEAEMO C[C@H]1CCC[N@H+]1Cc1ccc(C=O)o1 161270182 344188176 /nfs/dbraw/zinc/18/81/76/344188176.db2.gz JPDJTYZEEIYSGM-VIFPVBQESA-N 1 1 193.246 2.076 10 0 AEAEMO Cc1c[nH+]cn1CC[C@H]1CCCCO1 161815265 344198870 /nfs/dbraw/zinc/19/88/70/344198870.db2.gz INMKHPLGLMJXCL-LLVKDONJSA-N 1 1 194.278 2.151 10 0 AEAEMO C[C@H]([N@H+]1CCC(=O)C[C@H]1C)C(C)(C)C 162815993 344214588 /nfs/dbraw/zinc/21/45/88/344214588.db2.gz SCRTWAIXOOCKQY-ZJUUUORDSA-N 1 1 197.322 2.474 10 0 AEAEMO C[C@@H]1CCC[N@H+](C[C@@H](C)[C@@H](C)[NH3+])CC1 165209560 344260055 /nfs/dbraw/zinc/26/00/55/344260055.db2.gz VRMOIDUJMYVWQL-IJLUTSLNSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](C)CCc1ccccc1OC 166012837 344273807 /nfs/dbraw/zinc/27/38/07/344273807.db2.gz JEDFRDOSASHECZ-UHFFFAOYSA-N 1 1 193.290 2.189 10 0 AEAEMO C[C@H](N)[C@@H](C)[N@H+]1CC[C@H](C(C)(C)C)C1 166038464 344273814 /nfs/dbraw/zinc/27/38/14/344273814.db2.gz VBXFQRWNFFSJLB-AXFHLTTASA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)(C)c1ccc([C@@H]([NH3+])CN)s1 166069677 344274286 /nfs/dbraw/zinc/27/42/86/344274286.db2.gz NSOOSKSAHHWKNH-ZETCQYMHSA-N 1 1 198.335 2.004 10 0 AEAEMO CC1=CC[N@H+](C[C@@H](N)C(C)(C)C)CC1 166135102 344275522 /nfs/dbraw/zinc/27/55/22/344275522.db2.gz TYOARLWLWFMKOB-LLVKDONJSA-N 1 1 196.338 2.012 10 0 AEAEMO CC1=CC[N@@H+](C[C@@H](N)C(C)(C)C)CC1 166135102 344275523 /nfs/dbraw/zinc/27/55/23/344275523.db2.gz TYOARLWLWFMKOB-LLVKDONJSA-N 1 1 196.338 2.012 10 0 AEAEMO CCC[C@H]1CC[N@H+]([C@@H]2CCCC2=O)C1 166466049 344282637 /nfs/dbraw/zinc/28/26/37/344282637.db2.gz RRDOXMAVIOPLPN-WDEREUQCSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@H]1CC[N@@H+](C[C@@H]2CCCC2=O)C1 166652349 344286615 /nfs/dbraw/zinc/28/66/15/344286615.db2.gz SWWPUMIEUNXOLZ-QWRGUYRKSA-N 1 1 195.306 2.088 10 0 AEAEMO Cc1[nH]c(C)c(-c2cccnc2)[nH+]1 168991513 344342030 /nfs/dbraw/zinc/34/20/30/344342030.db2.gz LHOKLMKNYVUSDK-UHFFFAOYSA-N 1 1 173.219 2.089 10 0 AEAEMO Cc1ccc([C@@H]2[NH2+]C[C@H](C)O[C@@H]2C)o1 169616815 344351270 /nfs/dbraw/zinc/35/12/70/344351270.db2.gz HXYAVPAYEXEPCU-IQJOONFLSA-N 1 1 195.262 2.026 10 0 AEAEMO CCCC[N@H+]1CCS[C@@H](C)C1 196252180 344356447 /nfs/dbraw/zinc/35/64/47/344356447.db2.gz MTTUVASARWBKRR-VIFPVBQESA-N 1 1 173.325 2.224 10 0 AEAEMO C[C@H](N)[C@@H]([N@H+]1CCC[C@@H]1C)C(C)(C)C 218011935 344408954 /nfs/dbraw/zinc/40/89/54/344408954.db2.gz YVQHHZBHSUGOSV-GARJFASQSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(=O)C[C@H](C)[N@H+]1CC[C@@H](C)C[C@@H]1C 218142364 344409908 /nfs/dbraw/zinc/40/99/08/344409908.db2.gz JDLYQJICQDVCCC-VWYCJHECSA-N 1 1 197.322 2.474 10 0 AEAEMO CC(=O)C[C@H](C)[N@H+]1CCC[C@@H](C)[C@@H]1C 218141971 344409913 /nfs/dbraw/zinc/40/99/13/344409913.db2.gz OIFLLUILCFJVJP-SCVCMEIPSA-N 1 1 197.322 2.474 10 0 AEAEMO C[C@H](O)C[C@H](C)[N@H+]1CCC[C@@H](C)CC1 218716479 344415166 /nfs/dbraw/zinc/41/51/66/344415166.db2.gz VZDZIBCNGRMZSS-WOPDTQHZSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H](O)C[C@@H](C)[N@H+]1CCCC[C@@H]1C 218708381 344415169 /nfs/dbraw/zinc/41/51/69/344415169.db2.gz JNONPYWGXUDCFN-AXFHLTTASA-N 1 1 185.311 2.020 10 0 AEAEMO CNc1ccc([C@H]2CC[N@@H+](C)C2)cc1 218786170 344416289 /nfs/dbraw/zinc/41/62/89/344416289.db2.gz RQSLHUNYTBCKFS-NSHDSACASA-N 1 1 190.290 2.147 10 0 AEAEMO c1ccn([C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 219315526 344422617 /nfs/dbraw/zinc/42/26/17/344422617.db2.gz NBUNOUIMTBPRPH-NWDGAFQWSA-N 1 1 190.290 2.287 10 0 AEAEMO CC[N@H+]1CC[C@H](c2ccc(N)cc2)C1 219320855 344422655 /nfs/dbraw/zinc/42/26/55/344422655.db2.gz KPADWQQMSDKCAP-NSHDSACASA-N 1 1 190.290 2.078 10 0 AEAEMO CC(C)C[C@@H](C)[N@H+]1CCC(=O)C[C@@H]1C 219800825 344428403 /nfs/dbraw/zinc/42/84/03/344428403.db2.gz UOIRHWIDGABSES-MNOVXSKESA-N 1 1 197.322 2.474 10 0 AEAEMO CC[C@](C)(N)C[N@H+]1CC[C@@H](C)[C@@H](C)C1 221707313 344445666 /nfs/dbraw/zinc/44/56/66/344445666.db2.gz YQBGOOGZDZAQGX-WOPDTQHZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@](C)([NH3+])CN1CC[C@@H](C)[C@@H](C)C1 221707313 344445667 /nfs/dbraw/zinc/44/56/67/344445667.db2.gz YQBGOOGZDZAQGX-WOPDTQHZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C)C1 221770234 344445679 /nfs/dbraw/zinc/44/56/79/344445679.db2.gz UCFBUGQHKVCDSY-RHYQMDGZSA-N 1 1 199.338 2.124 10 0 AEAEMO CC(C)C(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1C 221709667 344445640 /nfs/dbraw/zinc/44/56/40/344445640.db2.gz KPXMDPPGADTGGD-MNOVXSKESA-N 1 1 197.322 2.332 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@H]1C[C@@H](C)CC[C@@H]1N 222058351 344448570 /nfs/dbraw/zinc/44/85/70/344448570.db2.gz XIHABWHRFOWPIH-FIQHERPVSA-N 1 1 198.354 2.233 10 0 AEAEMO CCC(C)(C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C 221808966 344446257 /nfs/dbraw/zinc/44/62/57/344446257.db2.gz IJZCRDYVXOAVIT-DCAQKATOSA-N 1 1 198.354 2.233 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+]1CCC[C@@H](C)[C@@H]1C 224483302 344469686 /nfs/dbraw/zinc/46/96/86/344469686.db2.gz USOANBNRZRLTMV-VWYCJHECSA-N 1 1 197.322 2.474 10 0 AEAEMO CC[C@H]1C[N@@H+](CC(C)C)[C@@H](C)CCN1 224392884 344468625 /nfs/dbraw/zinc/46/86/25/344468625.db2.gz LQKTYXFSDYPNKW-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(=O)[C@H](C)[N@H+]1CC[C@@H](C)C[C@@H]1C 225742269 344485828 /nfs/dbraw/zinc/48/58/28/344485828.db2.gz GZGPKWXYLMGWHP-UTLUCORTSA-N 1 1 183.295 2.084 10 0 AEAEMO C[C@H]1C[C@H](C)CC[N@H+]1CC(C)(C)CN 225776129 344486990 /nfs/dbraw/zinc/48/69/90/344486990.db2.gz MXKCWCGOIMOZLA-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO C[N@@H+](CC1CCC1)[C@H]1CCC[C@@H](O)C1 225439373 344481154 /nfs/dbraw/zinc/48/11/54/344481154.db2.gz MDOMFMPWNYTUOP-NWDGAFQWSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H](C(C)C)[N@H+]1C[C@@H](C)NC[C@@H]1C 225471671 344481653 /nfs/dbraw/zinc/48/16/53/344481653.db2.gz UCFVZAMGWSSSHA-GRYCIOLGSA-N 1 1 198.354 2.103 10 0 AEAEMO CC1(C)CCC[N@H+]1[C@H]1CCC[C@@H](O)C1 225440943 344481660 /nfs/dbraw/zinc/48/16/60/344481660.db2.gz DUKHXNCYDBTTKZ-WDEREUQCSA-N 1 1 197.322 2.164 10 0 AEAEMO CC1(C)CCC[N@H+]1[C@@H]1CCC[C@@H](O)C1 225440904 344481700 /nfs/dbraw/zinc/48/17/00/344481700.db2.gz DUKHXNCYDBTTKZ-GHMZBOCLSA-N 1 1 197.322 2.164 10 0 AEAEMO CCC[C@H]1C[N@H+](C(C)(C)C)[C@@H](C)CN1 225570384 344483685 /nfs/dbraw/zinc/48/36/85/344483685.db2.gz NRRJGXOLTXDNAE-QWRGUYRKSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@H]1CN(C(C)(C)C)[C@@H](C)C[NH2+]1 225570384 344483686 /nfs/dbraw/zinc/48/36/86/344483686.db2.gz NRRJGXOLTXDNAE-QWRGUYRKSA-N 1 1 198.354 2.247 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1[C@H]1CCCC[C@@H]1O 226239475 344496068 /nfs/dbraw/zinc/49/60/68/344496068.db2.gz RFDQFDHESCZKEG-WOPDTQHZSA-N 1 1 197.322 2.164 10 0 AEAEMO C[C@H]([N@@H+](C)[C@H]1CCC[C@@H]1O)C(C)(C)C 226283038 344497486 /nfs/dbraw/zinc/49/74/86/344497486.db2.gz PGYHFZLKJUSZGC-DCAQKATOSA-N 1 1 199.338 2.266 10 0 AEAEMO CC[C@H]1CCC[N@H+]([C@@H]2CCC[C@H]2O)C1 226278552 344497550 /nfs/dbraw/zinc/49/75/50/344497550.db2.gz DFNVFMPARLJXIS-QJPTWQEYSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2O)C1 226290988 344498082 /nfs/dbraw/zinc/49/80/82/344498082.db2.gz RATORCDQLKXHHY-IJLUTSLNSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)=CC[N@H+]1CCC[C@@H](C)[C@@H]1CN 226344243 344500331 /nfs/dbraw/zinc/50/03/31/344500331.db2.gz JKXRYBGPGOBSKG-NEPJUHHUSA-N 1 1 196.338 2.012 10 0 AEAEMO CC(C)=CC[N@@H+]1CCC[C@@H](C)[C@@H]1CN 226344243 344500332 /nfs/dbraw/zinc/50/03/32/344500332.db2.gz JKXRYBGPGOBSKG-NEPJUHHUSA-N 1 1 196.338 2.012 10 0 AEAEMO CC[N@H+](C1CCC1)C1CC1 226086090 344492170 /nfs/dbraw/zinc/49/21/70/344492170.db2.gz BBDYXHJRRCTJEO-UHFFFAOYSA-N 1 1 139.242 2.023 10 0 AEAEMO CC(C)[C@H](O)C[N@H+]1CCCCC[C@@H]1C 226403182 344501675 /nfs/dbraw/zinc/50/16/75/344501675.db2.gz KTFKRXXOCVBBPG-NWDGAFQWSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[C@@H](O)C[N@H+]1CC[C@@H](C)C[C@@H]1C 226401937 344501790 /nfs/dbraw/zinc/50/17/90/344501790.db2.gz WHEUNPBQQZCADN-WOPDTQHZSA-N 1 1 199.338 2.124 10 0 AEAEMO CC(C)=CC[N@H+](C)[C@@H]1CCC[NH2+]CC1 226468999 344503864 /nfs/dbraw/zinc/50/38/64/344503864.db2.gz GKMIBEFAJCXULK-GFCCVEGCSA-N 1 1 196.338 2.027 10 0 AEAEMO CC(C)=CCN(C)[C@@H]1CCC[NH2+]CC1 226468999 344503865 /nfs/dbraw/zinc/50/38/65/344503865.db2.gz GKMIBEFAJCXULK-GFCCVEGCSA-N 1 1 196.338 2.027 10 0 AEAEMO CC[C@](C)(N)C[N@H+]1C[C@@H](C)CC[C@@H]1C 226694679 344510311 /nfs/dbraw/zinc/51/03/11/344510311.db2.gz LWISEGNHDFAMPG-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@](C)([NH3+])CN1C[C@@H](C)CC[C@@H]1C 226694679 344510313 /nfs/dbraw/zinc/51/03/13/344510313.db2.gz LWISEGNHDFAMPG-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@](C)([NH3+])CN1C[C@H](C)C[C@@H](C)C1 226692828 344510424 /nfs/dbraw/zinc/51/04/24/344510424.db2.gz IZIMRTFZKWVWPG-UTUOFQBUSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CCC[C@@H]1c1cnc(C[NH3+])o1 226747470 344512313 /nfs/dbraw/zinc/51/23/13/344512313.db2.gz SDZMBDNMHATLIE-YUMQZZPRSA-N 1 1 180.251 2.037 10 0 AEAEMO C[C@H]1CCC[C@H]1c1cnc(C[NH3+])o1 226747486 344512321 /nfs/dbraw/zinc/51/23/21/344512321.db2.gz SDZMBDNMHATLIE-JGVFFNPUSA-N 1 1 180.251 2.037 10 0 AEAEMO C[C@@H]1CCC[C@@H]1c1cnc(C[NH3+])o1 226747461 344512341 /nfs/dbraw/zinc/51/23/41/344512341.db2.gz SDZMBDNMHATLIE-SFYZADRCSA-N 1 1 180.251 2.037 10 0 AEAEMO C[C@@H]1CCC[C@H]1c1cnc(C[NH3+])o1 226747477 344512351 /nfs/dbraw/zinc/51/23/51/344512351.db2.gz SDZMBDNMHATLIE-HTQZYQBOSA-N 1 1 180.251 2.037 10 0 AEAEMO CCC(C)(CC)[NH2+]Cc1cn[nH]c1C 227217736 344525571 /nfs/dbraw/zinc/52/55/71/344525571.db2.gz MKJKYDKDDNUMML-UHFFFAOYSA-N 1 1 195.310 2.386 10 0 AEAEMO CC1(C)CC[N@H+]([C@@H]2CCC[C@@H](O)C2)C1 227505283 344532825 /nfs/dbraw/zinc/53/28/25/344532825.db2.gz KTFMHCUAIOTQIQ-GHMZBOCLSA-N 1 1 197.322 2.022 10 0 AEAEMO [NH3+]CC(F)(F)c1cccc(F)c1F 227563489 344535602 /nfs/dbraw/zinc/53/56/02/344535602.db2.gz VBHOXIKFCGNXDR-UHFFFAOYSA-N 1 1 193.143 2.015 10 0 AEAEMO CC[C@H](C(C)C)[N@H+]1C[C@@H](C)C[C@@H](N)C1 227677024 344543711 /nfs/dbraw/zinc/54/37/11/344543711.db2.gz IKWSVIRWDIFFKB-QJPTWQEYSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@H](C)[C@]1(O)CC[N@H+]2CCCC[C@H]21 228270070 344561360 /nfs/dbraw/zinc/56/13/60/344561360.db2.gz BLLFCFWLOCBGQR-SDDRHHMPSA-N 1 1 197.322 2.022 10 0 AEAEMO CC1(Nc2ccc(N)c[nH+]2)CCC1 228830563 344569720 /nfs/dbraw/zinc/56/97/20/344569720.db2.gz UXHMWWYXTXMQNF-UHFFFAOYSA-N 1 1 177.251 2.018 10 0 AEAEMO CC(C)=CCNc1ccc(N)[nH+]c1 228903039 344574566 /nfs/dbraw/zinc/57/45/66/344574566.db2.gz GIWPPOZCRLGLNG-UHFFFAOYSA-N 1 1 177.251 2.042 10 0 AEAEMO CC[C@](C)(O)C[N@H+]1CCCC(C)(C)C1 229392972 344593798 /nfs/dbraw/zinc/59/37/98/344593798.db2.gz GYLIXSBTPVTAPS-LBPRGKRZSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@](C)(O)C[N@H+]1C[C@@H](C)CC[C@@H]1C 229393936 344593830 /nfs/dbraw/zinc/59/38/30/344593830.db2.gz PQXLIJHNCMRCEI-SRVKXCTJSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@](C)(O)C[N@H+]1CCCCC[C@@H]1C 229393102 344593835 /nfs/dbraw/zinc/59/38/35/344593835.db2.gz UUANWAOPSAJWPG-RYUDHWBXSA-N 1 1 199.338 2.412 10 0 AEAEMO CC[C@@](C)(O)C[N@H+]1C[C@@H](C)C[C@@H](C)C1 229382228 344593113 /nfs/dbraw/zinc/59/31/13/344593113.db2.gz QXKDHNILMBGPGA-GRYCIOLGSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@](C)(O)C[N@H+]1CCCC(C)(C)C1 229392959 344593794 /nfs/dbraw/zinc/59/37/94/344593794.db2.gz GYLIXSBTPVTAPS-GFCCVEGCSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC1(Nc2ccc(N)[nH+]c2)CCC1 229468071 344596732 /nfs/dbraw/zinc/59/67/32/344596732.db2.gz DWNKYYJCXWEIJY-UHFFFAOYSA-N 1 1 191.278 2.408 10 0 AEAEMO CC(=O)[C@H](C)[N@H+]1CC[C@@H](C(C)(C)C)C1 230273604 344630301 /nfs/dbraw/zinc/63/03/01/344630301.db2.gz DRRDLTBEWIMHIU-GXSJLCMTSA-N 1 1 197.322 2.332 10 0 AEAEMO CC(C)[C@H]([NH3+])c1nc2c([nH]1)[C@H](C)CC2 230370050 344632359 /nfs/dbraw/zinc/63/23/59/344632359.db2.gz VGCONNMYOMSEPU-APPZFPTMSA-N 1 1 193.294 2.115 10 0 AEAEMO CC(C)[C@H]([NH3+])c1nc2c([nH]1)[C@@H](C)CC2 230370045 344631996 /nfs/dbraw/zinc/63/19/96/344631996.db2.gz VGCONNMYOMSEPU-CBAPKCEASA-N 1 1 193.294 2.115 10 0 AEAEMO CCC(C)(CC)Nc1nc(N)cc[nH+]1 230974277 344646656 /nfs/dbraw/zinc/64/66/56/344646656.db2.gz PIRCJBHCPDJHKP-UHFFFAOYSA-N 1 1 194.282 2.049 10 0 AEAEMO C[C@@H]1CCC[N@H+]1[C@@H]1CCCC[C@@H]1CO 231377351 344652340 /nfs/dbraw/zinc/65/23/40/344652340.db2.gz QFILKGFBRXIXOV-IJLUTSLNSA-N 1 1 197.322 2.022 10 0 AEAEMO Cc1ccc(C2(F)C[NH2+]C2)cc1Cl 231995324 344669309 /nfs/dbraw/zinc/66/93/09/344669309.db2.gz LVQPTGDKLAGOLT-UHFFFAOYSA-N 1 1 199.656 2.416 10 0 AEAEMO C[C@@H]1CC[N@@H+](CC(C)(C)C)[C@@H](CN)C1 235276515 344739987 /nfs/dbraw/zinc/73/99/87/344739987.db2.gz WXEWOSQSQHLMPL-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1CCN(CC(C)(C)C)[C@@H](C[NH3+])C1 235276515 344739988 /nfs/dbraw/zinc/73/99/88/344739988.db2.gz WXEWOSQSQHLMPL-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1C[C@](O)(CCC2CC2)CC[N@H+]1C 235383039 344747336 /nfs/dbraw/zinc/74/73/36/344747336.db2.gz SDSBVECMUMIUJX-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1CCC[C@H](C[N@H+]2CCC(=O)C2)C1 235607221 344759168 /nfs/dbraw/zinc/75/91/68/344759168.db2.gz HEKADHRCCWSPNF-QWRGUYRKSA-N 1 1 195.306 2.088 10 0 AEAEMO Cc1ccc(F)c2c(N)[nH+]ccc12 235769314 344765969 /nfs/dbraw/zinc/76/59/69/344765969.db2.gz OBNJAACNGWPNSI-UHFFFAOYSA-N 1 1 176.194 2.265 10 0 AEAEMO [NH3+]CC(F)(F)c1csc(Cl)c1 236190016 344776982 /nfs/dbraw/zinc/77/69/82/344776982.db2.gz WKTODXSLRQQWLM-UHFFFAOYSA-N 1 1 197.637 2.452 10 0 AEAEMO [NH3+][C@@H](CF)c1c(F)cc(F)cc1F 238571786 344813331 /nfs/dbraw/zinc/81/33/31/344813331.db2.gz SDPZPAQUIUATBF-ZETCQYMHSA-N 1 1 193.143 2.073 10 0 AEAEMO [NH3+][C@H](CF)c1c(F)cc(F)cc1F 238683345 344818644 /nfs/dbraw/zinc/81/86/44/344818644.db2.gz SDPZPAQUIUATBF-SSDOTTSWSA-N 1 1 193.143 2.073 10 0 AEAEMO C[C@H](CCCO)[N@H+]1CCCC[C@H]1C 248113521 344827387 /nfs/dbraw/zinc/82/73/87/344827387.db2.gz RTELVYQRGATZSW-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[N@@H+](C)[C@@H]1CCCC(C)(C)[C@H]1N 250009387 344829293 /nfs/dbraw/zinc/82/92/93/344829293.db2.gz KCMKCPRJCUWQSR-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO CCCN(C)[C@@H]1CCCC(C)(C)[C@H]1[NH3+] 250009387 344829295 /nfs/dbraw/zinc/82/92/95/344829295.db2.gz KCMKCPRJCUWQSR-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+](C)[C@H]1CCCC(C)(C)[C@H]1O 250022263 344829613 /nfs/dbraw/zinc/82/96/13/344829613.db2.gz NVMZAAKKBKXSGZ-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@@H+](C1CC1)[C@@H]1CCCCC[C@H]1N 250076774 344829960 /nfs/dbraw/zinc/82/99/60/344829960.db2.gz SUAGMSJLNUDRDI-VXGBXAGGSA-N 1 1 196.338 2.131 10 0 AEAEMO CCN(C1CC1)[C@@H]1CCCCC[C@H]1[NH3+] 250076774 344829961 /nfs/dbraw/zinc/82/99/61/344829961.db2.gz SUAGMSJLNUDRDI-VXGBXAGGSA-N 1 1 196.338 2.131 10 0 AEAEMO CC[N@@H+](C(C)C)[C@H]1CCC(C)(C)[C@H]1O 250086406 344829965 /nfs/dbraw/zinc/82/99/65/344829965.db2.gz VSEINMXKCZWRIE-QWRGUYRKSA-N 1 1 199.338 2.266 10 0 AEAEMO CC[N@@H+](C)[C@]1(CN)CCC[C@@H](C)[C@H]1C 250090043 344829994 /nfs/dbraw/zinc/82/99/94/344829994.db2.gz WORRKUGDUPZZRN-UTUOFQBUSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](C)[C@]1(CN)C[C@@H](C)C[C@@H](C)C1 250078858 344830034 /nfs/dbraw/zinc/83/00/34/344830034.db2.gz TYSNEAQUUIXKGI-GDNZZTSVSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](C(C)C)[C@@H]1CCC(C)(C)[C@H]1O 250086403 344830041 /nfs/dbraw/zinc/83/00/41/344830041.db2.gz VSEINMXKCZWRIE-MNOVXSKESA-N 1 1 199.338 2.266 10 0 AEAEMO CCC[N@@H+](C)[C@H]1CCCCC[C@H]1O 250118530 344830518 /nfs/dbraw/zinc/83/05/18/344830518.db2.gz UVRJRNJXCWARIE-WDEREUQCSA-N 1 1 185.311 2.022 10 0 AEAEMO CC(C)[N@@H+](C)[C@H]1CCCCC[C@H]1O 250477594 344834619 /nfs/dbraw/zinc/83/46/19/344834619.db2.gz AXMREMDTGHAAHI-WDEREUQCSA-N 1 1 185.311 2.020 10 0 AEAEMO CCC(CC)[N@H+]1C[C@@H](C)NCC[C@H]1C 250374983 344832849 /nfs/dbraw/zinc/83/28/49/344832849.db2.gz BNIVARVBCVFPFY-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(CC)[N@H+]1C[C@H](C)NCC[C@H]1C 250374987 344832873 /nfs/dbraw/zinc/83/28/73/344832873.db2.gz BNIVARVBCVFPFY-WDEREUQCSA-N 1 1 198.354 2.247 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H]1[C@H]1CCCC1=O 250701510 344839945 /nfs/dbraw/zinc/83/99/45/344839945.db2.gz AVEKWVMKQBDKHP-GHMZBOCLSA-N 1 1 195.306 2.228 10 0 AEAEMO CN(CC(C)(C)C)[C@@H]1CCCC[C@H]1[NH3+] 250718942 344840079 /nfs/dbraw/zinc/84/00/79/344840079.db2.gz UXEMIUXMOWDZRP-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]([N@@H+](C)[C@H]1CCCC1=O)C(C)(C)C 251022672 344844266 /nfs/dbraw/zinc/84/42/66/344844266.db2.gz DKVJHDHOWCGZJM-ZJUUUORDSA-N 1 1 197.322 2.474 10 0 AEAEMO CC1(C)CCC[N@H+]1C[C@H]1CCC[C@H]1O 250791380 344841533 /nfs/dbraw/zinc/84/15/33/344841533.db2.gz JCDGPZURIOUFQY-GHMZBOCLSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H](C(C)C)[N@H+]1CC[C@@H](C)[C@H](N)C1 251195533 344849130 /nfs/dbraw/zinc/84/91/30/344849130.db2.gz BCZNEXBXXWYUDO-IJLUTSLNSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+]1CC[C@@H](C)C[C@H]1C 251242177 344850393 /nfs/dbraw/zinc/85/03/93/344850393.db2.gz TYAAXAMJMHOCKO-MXWKQRLJSA-N 1 1 197.322 2.474 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+]1C[C@@H](C)CC[C@H]1C 251243394 344850400 /nfs/dbraw/zinc/85/04/00/344850400.db2.gz TZHZRMOBRDRQGL-AXFHLTTASA-N 1 1 197.322 2.474 10 0 AEAEMO CCC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1C 251262008 344850930 /nfs/dbraw/zinc/85/09/30/344850930.db2.gz YNYJBIHOTWWNHZ-NXEZZACHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@](C)(N)C[N@H+]1CC[C@@H](C)C[C@H]1C 251279220 344851477 /nfs/dbraw/zinc/85/14/77/344851477.db2.gz NZFCWTKIPMTEDZ-UTUOFQBUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@](C)([NH3+])CN1CC[C@@H](C)C[C@H]1C 251279220 344851478 /nfs/dbraw/zinc/85/14/78/344851478.db2.gz NZFCWTKIPMTEDZ-UTUOFQBUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@](C)(N)C[N@H+]1CC[C@H](C)C[C@H]1C 251279218 344851483 /nfs/dbraw/zinc/85/14/83/344851483.db2.gz NZFCWTKIPMTEDZ-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@](C)([NH3+])CN1CC[C@H](C)C[C@H]1C 251279218 344851484 /nfs/dbraw/zinc/85/14/84/344851484.db2.gz NZFCWTKIPMTEDZ-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CC[C@@H](C)[N@H+]1[C@H](C)C(C)=O 251572904 344858460 /nfs/dbraw/zinc/85/84/60/344858460.db2.gz JCBUWDUWTMNDOY-FXPVBKGRSA-N 1 1 183.295 2.227 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1[C@H]1CCC(=O)C1 251650309 344863502 /nfs/dbraw/zinc/86/35/02/344863502.db2.gz GLGJLEZZYYOCND-QWRGUYRKSA-N 1 1 195.306 2.373 10 0 AEAEMO C[C@H]1CC[C@@H](C)C[N@H+]1[C@H]1CCCC1=O 251769611 344872218 /nfs/dbraw/zinc/87/22/18/344872218.db2.gz KOWCTSUYHLVSJR-VWYCJHECSA-N 1 1 195.306 2.228 10 0 AEAEMO CC[C@H](C)[C@@H]1CN[C@](C)(CC)C[N@H+]1C 251777518 344872599 /nfs/dbraw/zinc/87/25/99/344872599.db2.gz IWCZJNMGRRAOND-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@H]1C[N@@H+](C)[C@](C)(CC)CN1 251793116 344873252 /nfs/dbraw/zinc/87/32/52/344873252.db2.gz JYRULIGAGNMRLX-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@H+]1CCN[C@H](C)CC1 251852794 344876247 /nfs/dbraw/zinc/87/62/47/344876247.db2.gz NFYIRWRPSAAALV-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CCC[N@@H+]1[C@@H]1CCC[C@H]1NC 251854599 344877463 /nfs/dbraw/zinc/87/74/63/344877463.db2.gz SDTMFIQCQTYDFJ-IJLUTSLNSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@H]1NC 251854599 344877464 /nfs/dbraw/zinc/87/74/64/344877464.db2.gz SDTMFIQCQTYDFJ-IJLUTSLNSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@H]1CCC[N@@H+]1[C@H]1CCC[C@@H]1NC 251854604 344877487 /nfs/dbraw/zinc/87/74/87/344877487.db2.gz SDTMFIQCQTYDFJ-WOPDTQHZSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@H]1CCC[C@@H]1NC 251854604 344877488 /nfs/dbraw/zinc/87/74/88/344877488.db2.gz SDTMFIQCQTYDFJ-WOPDTQHZSA-N 1 1 196.338 2.001 10 0 AEAEMO CC(C)[C@@H](C)C[N@H+]1CCC(=O)[C@H](C)C1 251920158 344880848 /nfs/dbraw/zinc/88/08/48/344880848.db2.gz XWXJWXXJRWUZBW-WDEREUQCSA-N 1 1 197.322 2.189 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CCC[C@H](C)[C@@H]1CN 252091210 344883973 /nfs/dbraw/zinc/88/39/73/344883973.db2.gz DQTSDRAXTVQUMZ-SRVKXCTJSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H]1CCCC[N@H+]1[C@H]1CCCC(=O)C1 252107092 344885028 /nfs/dbraw/zinc/88/50/28/344885028.db2.gz HEKYYVPVFUCOBC-QWRGUYRKSA-N 1 1 195.306 2.373 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)[C@H]1CCCC[C@H]1N 252404074 344894350 /nfs/dbraw/zinc/89/43/50/344894350.db2.gz CGFMTLCMPDTBFV-TUAOUCFPSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 252475910 344899417 /nfs/dbraw/zinc/89/94/17/344899417.db2.gz LYVXCEJWVKPFFK-RYUDHWBXSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCC(=O)[C@@H](C)[C@H]1C 252593950 344903888 /nfs/dbraw/zinc/90/38/88/344903888.db2.gz GEUJVVZZPYSHBV-GARJFASQSA-N 1 1 197.322 2.332 10 0 AEAEMO CC[C@H]1C[N@H+]([C@H](C)CC)C(C)(C)CN1 252618336 344905477 /nfs/dbraw/zinc/90/54/77/344905477.db2.gz IFKUKCCHXLWHLA-MNOVXSKESA-N 1 1 198.354 2.247 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)[C@H]1CCCCC1=O 252424817 344895399 /nfs/dbraw/zinc/89/53/99/344895399.db2.gz JNRWIWQOZMQDET-MNOVXSKESA-N 1 1 197.322 2.474 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1[C@H]1CCCCC1=O 252425552 344895406 /nfs/dbraw/zinc/89/54/06/344895406.db2.gz OHQGQHKPKPMMIJ-MNOVXSKESA-N 1 1 195.306 2.373 10 0 AEAEMO CC[C@@H]1CCC[N@H+]([C@H](C)C(C)=O)C1 252424680 344895417 /nfs/dbraw/zinc/89/54/17/344895417.db2.gz ISAWORMFVKJLBU-MWLCHTKSSA-N 1 1 183.295 2.086 10 0 AEAEMO C[C@H]([N@@H+](C)[C@H]1CCC[C@H]1O)C(C)(C)C 252430436 344895639 /nfs/dbraw/zinc/89/56/39/344895639.db2.gz PGYHFZLKJUSZGC-GARJFASQSA-N 1 1 199.338 2.266 10 0 AEAEMO C[C@H]1C[C@@H](C)C[C@H]([N@H+](C)[C@H](C)CN)C1 252805780 344914802 /nfs/dbraw/zinc/91/48/02/344914802.db2.gz GFBFSGGKGCPTEV-KXNHARMFSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC[C@@H]1CC[N@H+]([C@H]2CCCC2=O)C1 252868841 344917296 /nfs/dbraw/zinc/91/72/96/344917296.db2.gz RRDOXMAVIOPLPN-MNOVXSKESA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@H]1C[N@H+](C2(C)CC2)[C@H](CC)CN1 252931722 344919183 /nfs/dbraw/zinc/91/91/83/344919183.db2.gz BNVJDWBYOBRRPI-WDEREUQCSA-N 1 1 196.338 2.001 10 0 AEAEMO CC1(C)[C@H](O)CC[N@H+]1CC1CCCC1 258910006 344946544 /nfs/dbraw/zinc/94/65/44/344946544.db2.gz VSGVJPYLOPKNHW-LLVKDONJSA-N 1 1 197.322 2.022 10 0 AEAEMO Cc1cnc(C[N@@H+]2CCC2(C)C)s1 306153342 345043877 /nfs/dbraw/zinc/04/38/77/345043877.db2.gz ASEQFKLCHJNHOX-UHFFFAOYSA-N 1 1 196.319 2.436 10 0 AEAEMO Cc1cnc(C[N@H+]2CCC2(C)C)s1 306153342 345043878 /nfs/dbraw/zinc/04/38/78/345043878.db2.gz ASEQFKLCHJNHOX-UHFFFAOYSA-N 1 1 196.319 2.436 10 0 AEAEMO CC(C)[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F 306158750 345048840 /nfs/dbraw/zinc/04/88/40/345048840.db2.gz CNKNWMZFMUGVMI-DTWKUNHWSA-N 1 1 189.249 2.372 10 0 AEAEMO C[C@H](CO)[N@@H+](C)C1CCC(C)(C)CC1 306168239 345059485 /nfs/dbraw/zinc/05/94/85/345059485.db2.gz VWDZZAPLKDMODP-SNVBAGLBSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[N@@H+](C)[C@]1(C)CCC[C@@]1(C)O 306231783 345125431 /nfs/dbraw/zinc/12/54/31/345125431.db2.gz MESBUQMMFQYFHY-GHMZBOCLSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@H](C)[N@H+]1CCOC(C)(C)[C@H]1C 306255271 345146544 /nfs/dbraw/zinc/14/65/44/345146544.db2.gz OXTGVKHELYKXJH-VHSXEESVSA-N 1 1 185.311 2.284 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCOC(C)(C)[C@@H]1C 306255272 345146548 /nfs/dbraw/zinc/14/65/48/345146548.db2.gz OXTGVKHELYKXJH-ZJUUUORDSA-N 1 1 185.311 2.284 10 0 AEAEMO C[C@H]1C[C@@H](C)C[N@@H+](CC2(F)CC2)C1 306287370 345170663 /nfs/dbraw/zinc/17/06/63/345170663.db2.gz LJLTUWSBMVUFAM-AOOOYVTPSA-N 1 1 185.286 2.466 10 0 AEAEMO Cc1occc1[C@H]([NH3+])c1ccsn1 306354092 345226126 /nfs/dbraw/zinc/22/61/26/345226126.db2.gz QLQROPDRQGPOLA-VIFPVBQESA-N 1 1 194.259 2.093 10 0 AEAEMO C[C@H]1C[C@H](C)[NH+]1Cc1nccs1 306399222 345260156 /nfs/dbraw/zinc/26/01/56/345260156.db2.gz FSJLGUOHCCPPRA-YUMQZZPRSA-N 1 1 182.292 2.126 10 0 AEAEMO C/C=C/C[N@@H+](C)[C@H]1CC1(C)C 306468524 345330571 /nfs/dbraw/zinc/33/05/71/345330571.db2.gz NUXKAQMGHPMWTH-CYNONHLPSA-N 1 1 153.269 2.293 10 0 AEAEMO C/C=C/C[N@@H+](C)[C@@H]1CC1(C)C 306468525 345330575 /nfs/dbraw/zinc/33/05/75/345330575.db2.gz NUXKAQMGHPMWTH-VUHVRTRXSA-N 1 1 153.269 2.293 10 0 AEAEMO C[NH2+]C[C@H](C)[N@H+]1CCCC12CCCC2 306474003 345338265 /nfs/dbraw/zinc/33/82/65/345338265.db2.gz VFMWBNUFLBYYHL-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO C[N@H+]1CC[C@H](CSC(C)(C)C)C1 306482990 345351607 /nfs/dbraw/zinc/35/16/07/345351607.db2.gz KDYCZHRKQPHZAX-VIFPVBQESA-N 1 1 187.352 2.470 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1C(C)(C)CO 306534172 345406638 /nfs/dbraw/zinc/40/66/38/345406638.db2.gz DJEXDGCYPQFKSJ-JTQLQIEISA-N 1 1 185.311 2.022 10 0 AEAEMO CC[N@@H+]([C@H]1CCC[C@@H](O)C1)C(C)(C)C 306558124 345434232 /nfs/dbraw/zinc/43/42/32/345434232.db2.gz JVPZFTGXIPSITH-WDEREUQCSA-N 1 1 199.338 2.410 10 0 AEAEMO C[C@H]1CC[N@@H+](CC2(F)CC2)C[C@H]1C 306567879 345444717 /nfs/dbraw/zinc/44/47/17/345444717.db2.gz IMCKZDWFLJAUKW-VHSXEESVSA-N 1 1 185.286 2.466 10 0 AEAEMO C[C@@H]1C[N@@H+](CC(C)(C)C)[C@H](C)CO1 306568805 345445413 /nfs/dbraw/zinc/44/54/13/345445413.db2.gz JRTWAKKKIIBJND-NXEZZACHSA-N 1 1 185.311 2.142 10 0 AEAEMO CCC(C)(C)CN1C[C@H](C)[NH2+][C@@H](C)C1 306563687 345439567 /nfs/dbraw/zinc/43/95/67/345439567.db2.gz VXGNIQWFYUDOBC-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@H]([NH3+])CN(C)[C@@H]1CCC[C@@H](C)CC1 306564884 345441223 /nfs/dbraw/zinc/44/12/23/345441223.db2.gz QQPVFAZHKPSSTG-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO Cc1nc(N[C@@H]2C[C@H]2C)c(C)c(C)[nH+]1 306590708 345468322 /nfs/dbraw/zinc/46/83/22/345468322.db2.gz AGSRDIWMFNXHCV-LHLIQPBNSA-N 1 1 191.278 2.222 10 0 AEAEMO CSC[C@@H]1CC[N@H+](C2CCC2)C1 306603948 345479543 /nfs/dbraw/zinc/47/95/43/345479543.db2.gz NDKWZSUDTORWHY-SECBINFHSA-N 1 1 185.336 2.224 10 0 AEAEMO CCN(c1[nH]cc(C)[nH+]1)C(C)(C)C 306652870 345519139 /nfs/dbraw/zinc/51/91/39/345519139.db2.gz CQGSHHBRBJHMKH-UHFFFAOYSA-N 1 1 181.283 2.343 10 0 AEAEMO C[C@@H]1CCNc2c[nH+]cc(Cl)c2N1 306702300 345557098 /nfs/dbraw/zinc/55/70/98/345557098.db2.gz ABAYFTNDBWSVAH-ZCFIWIBFSA-N 1 1 197.669 2.351 10 0 AEAEMO C[C@H]1CNc2c[nH+]cc(Cl)c2NC1 306731399 345580453 /nfs/dbraw/zinc/58/04/53/345580453.db2.gz QSLBQKVQUVXDMY-LURJTMIESA-N 1 1 197.669 2.209 10 0 AEAEMO Cc1c[nH]c(N2CCCC(C)(C)C2)[nH+]1 306735242 345582613 /nfs/dbraw/zinc/58/26/13/345582613.db2.gz PBSYILKRJHLWDI-UHFFFAOYSA-N 1 1 193.294 2.345 10 0 AEAEMO C[C@H](O)[C@@H](C)[N@H+]1CCCC12CCCC2 306725577 345576341 /nfs/dbraw/zinc/57/63/41/345576341.db2.gz KUVSVPVDXPOEQX-MNOVXSKESA-N 1 1 197.322 2.164 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@@H](C)[C@@H]1C 306790696 345616941 /nfs/dbraw/zinc/61/69/41/345616941.db2.gz WDMDIMKZKVWYII-VGMNWLOBSA-N 1 1 141.258 2.125 10 0 AEAEMO C[NH2+][C@H](C=C(C)C)c1coc(C)n1 306975002 345728613 /nfs/dbraw/zinc/72/86/13/345728613.db2.gz XTSBLGRBRVWHLM-SECBINFHSA-N 1 1 180.251 2.210 10 0 AEAEMO Cc1nc(N[C@H]2C[C@@H]2C)c(C)c(C)[nH+]1 306961304 345720657 /nfs/dbraw/zinc/72/06/57/345720657.db2.gz AGSRDIWMFNXHCV-WKEGUHRASA-N 1 1 191.278 2.222 10 0 AEAEMO CC(=O)CC[N@@H+]1CCCC[C@@H](C)C1 307003347 345745905 /nfs/dbraw/zinc/74/59/05/345745905.db2.gz CZGJFXATVQPLFB-SNVBAGLBSA-N 1 1 183.295 2.088 10 0 AEAEMO CNc1cc(C)[nH+]c(CCC2CC2)n1 307028227 345764465 /nfs/dbraw/zinc/76/44/65/345764465.db2.gz MPUUWMWDLIXJHW-UHFFFAOYSA-N 1 1 191.278 2.169 10 0 AEAEMO Cc1cc[nH+]c(C)c1NC1CSC1 307083368 345800232 /nfs/dbraw/zinc/80/02/32/345800232.db2.gz IBVOCEQFNHMJAH-UHFFFAOYSA-N 1 1 194.303 2.226 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1Cc1cccn1C 307196779 345882394 /nfs/dbraw/zinc/88/23/94/345882394.db2.gz UHSWLNLODGKOQF-AOOOYVTPSA-N 1 1 178.279 2.008 10 0 AEAEMO CCC1(Nc2ccc(N)[nH+]c2)CC1 307271260 345938371 /nfs/dbraw/zinc/93/83/71/345938371.db2.gz IEYMRKMCOAXCLB-UHFFFAOYSA-N 1 1 177.251 2.018 10 0 AEAEMO CCc1c[nH]c(N2CC[C@@H](CC)C2)[nH+]1 307309056 345961719 /nfs/dbraw/zinc/96/17/19/345961719.db2.gz ARPZPMALJBUGFE-SECBINFHSA-N 1 1 193.294 2.208 10 0 AEAEMO CCc1c[nH]c(N2CC[C@H](CC)C2)[nH+]1 307309057 345961752 /nfs/dbraw/zinc/96/17/52/345961752.db2.gz ARPZPMALJBUGFE-VIFPVBQESA-N 1 1 193.294 2.208 10 0 AEAEMO CC[C@@H]1CC[N@@H+]1Cc1nccs1 307310611 345963102 /nfs/dbraw/zinc/96/31/02/345963102.db2.gz YRCDUYNRUMZXPZ-MRVPVSSYSA-N 1 1 182.292 2.127 10 0 AEAEMO CC[C@@H]1CC[N@H+]1Cc1nccs1 307310611 345963103 /nfs/dbraw/zinc/96/31/03/345963103.db2.gz YRCDUYNRUMZXPZ-MRVPVSSYSA-N 1 1 182.292 2.127 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@H](F)C1 307311840 345963777 /nfs/dbraw/zinc/96/37/77/345963777.db2.gz GBBPQJNRGOQSKD-VIFPVBQESA-N 1 1 159.248 2.219 10 0 AEAEMO CC[C@H]1CC[N@@H+]1Cc1nccs1 307310612 345963053 /nfs/dbraw/zinc/96/30/53/345963053.db2.gz YRCDUYNRUMZXPZ-QMMMGPOBSA-N 1 1 182.292 2.127 10 0 AEAEMO CC[C@H]1CC[N@H+]1Cc1nccs1 307310612 345963054 /nfs/dbraw/zinc/96/30/54/345963054.db2.gz YRCDUYNRUMZXPZ-QMMMGPOBSA-N 1 1 182.292 2.127 10 0 AEAEMO CC[C@@H]1CC[N@H+]1Cc1cnc(C)s1 307323402 345970927 /nfs/dbraw/zinc/97/09/27/345970927.db2.gz ALNOHNNZCRSLFB-SECBINFHSA-N 1 1 196.319 2.436 10 0 AEAEMO CC(C)(C)C(C)(C)[N@H+]1CCC[C@H](N)C1 307386947 346009492 /nfs/dbraw/zinc/00/94/92/346009492.db2.gz CAZHHKKIHWBRDW-JTQLQIEISA-N 1 1 198.354 2.234 10 0 AEAEMO FC1(F)CCCC[C@@H]1[NH2+]C1CC1 307511742 346083156 /nfs/dbraw/zinc/08/31/56/346083156.db2.gz XIWWXBHKCUMENQ-QMMMGPOBSA-N 1 1 175.222 2.316 10 0 AEAEMO C[C@H]1CC[N@@H+](Cc2ccc[nH]2)[C@H]1C 307528214 346093043 /nfs/dbraw/zinc/09/30/43/346093043.db2.gz GJOMWMJBUOYDRH-UWVGGRQHSA-N 1 1 178.279 2.245 10 0 AEAEMO CC[C@H]1CCCN(c2[nH]cc[nH+]2)C1 307537232 346098585 /nfs/dbraw/zinc/09/85/85/346098585.db2.gz JFJPEWFFGFGADS-VIFPVBQESA-N 1 1 179.267 2.036 10 0 AEAEMO Cc1[nH+]cc(-c2ccc(O)cc2)n1C 307639935 346162672 /nfs/dbraw/zinc/16/26/72/346162672.db2.gz DKEUOURXGNYAIY-UHFFFAOYSA-N 1 1 188.230 2.101 10 0 AEAEMO C[NH2+]C1(C(F)F)CC(C)(C)C1 307621052 346152285 /nfs/dbraw/zinc/15/22/85/346152285.db2.gz JFZKUFFIFKDTKR-UHFFFAOYSA-N 1 1 163.211 2.030 10 0 AEAEMO Cc1ncsc1C[N@@H+]1C[C@H](C)[C@H]1C 307674766 346176477 /nfs/dbraw/zinc/17/64/77/346176477.db2.gz CRWVHOUTKKILFO-IONNQARKSA-N 1 1 196.319 2.292 10 0 AEAEMO CCSCC[N@H+]1C[C@H](C)[C@@H]1C 307675712 346176973 /nfs/dbraw/zinc/17/69/73/346176973.db2.gz GRTSSLHDAAKKGP-IUCAKERBSA-N 1 1 173.325 2.080 10 0 AEAEMO CCSCC[N@H+]1C[C@@H](C)[C@@H]1C 307675710 346177009 /nfs/dbraw/zinc/17/70/09/346177009.db2.gz GRTSSLHDAAKKGP-BDAKNGLRSA-N 1 1 173.325 2.080 10 0 AEAEMO CCSCC[N@H+]1C[C@@H](C)[C@H]1C 307675713 346177016 /nfs/dbraw/zinc/17/70/16/346177016.db2.gz GRTSSLHDAAKKGP-RKDXNWHRSA-N 1 1 173.325 2.080 10 0 AEAEMO CCSCC[N@H+]1C[C@H](C)[C@H]1C 307675711 346177019 /nfs/dbraw/zinc/17/70/19/346177019.db2.gz GRTSSLHDAAKKGP-DTWKUNHWSA-N 1 1 173.325 2.080 10 0 AEAEMO CC[C@H]1CC[N@H+]1CC1CCC1 307709945 346196657 /nfs/dbraw/zinc/19/66/57/346196657.db2.gz NXJFJTXTOOYTCL-JTQLQIEISA-N 1 1 153.269 2.271 10 0 AEAEMO C[C@H]1CC[N@@H+](Cc2cc[nH]c2)[C@@H]1C 307750358 346219627 /nfs/dbraw/zinc/21/96/27/346219627.db2.gz JPJCZPHHIODQFU-VHSXEESVSA-N 1 1 178.279 2.245 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1C[C@H]1CCOC1 334149909 346328196 /nfs/dbraw/zinc/32/81/96/346328196.db2.gz JQIHSHGEQIAIFN-NWDGAFQWSA-N 1 1 197.322 2.287 10 0 AEAEMO C[C@H]1C[N@@H+](Cc2cncc(F)c2)[C@@H]1C 334286492 346337648 /nfs/dbraw/zinc/33/76/48/346337648.db2.gz CJUFHOUBJPRETF-DTWKUNHWSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@H]1[C@H](C)C[N@@H+]1Cc1cncc(F)c1 334286491 346337674 /nfs/dbraw/zinc/33/76/74/346337674.db2.gz CJUFHOUBJPRETF-BDAKNGLRSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@H]1CCC[N@@H+](Cc2cc[nH]n2)CC1 334315504 346340110 /nfs/dbraw/zinc/34/01/10/346340110.db2.gz NQPSRYPNTDFVAV-JTQLQIEISA-N 1 1 193.294 2.032 10 0 AEAEMO C[C@H]1C[C@H](C)[NH+]1Cc1cncc(F)c1 334337755 346341914 /nfs/dbraw/zinc/34/19/14/346341914.db2.gz WMJDXQZWMVKURN-IUCAKERBSA-N 1 1 194.253 2.203 10 0 AEAEMO CC(C)[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 335294667 346386713 /nfs/dbraw/zinc/38/67/13/346386713.db2.gz DOTYADVNCLVXGA-RYUDHWBXSA-N 1 1 197.322 2.001 10 0 AEAEMO CC1(C)CCC[N@H+]1Cc1ccccn1 335319729 346389144 /nfs/dbraw/zinc/38/91/44/346389144.db2.gz YKGKIFMMHSQTSH-UHFFFAOYSA-N 1 1 190.290 2.456 10 0 AEAEMO C[C@H]1CC[C@H](C)[N@@H+](Cc2cnc[nH]2)C1 335723354 346416356 /nfs/dbraw/zinc/41/63/56/346416356.db2.gz XYLAFLATCGUYNQ-UWVGGRQHSA-N 1 1 193.294 2.030 10 0 AEAEMO C[C@H]1CC[C@H](C)[N@H+](Cc2c[nH]cn2)C1 335723354 346416357 /nfs/dbraw/zinc/41/63/57/346416357.db2.gz XYLAFLATCGUYNQ-UWVGGRQHSA-N 1 1 193.294 2.030 10 0 AEAEMO C[C@H]1CC[C@H](C)[N@@H+](Cc2c[nH]cn2)C1 335723354 346416359 /nfs/dbraw/zinc/41/63/59/346416359.db2.gz XYLAFLATCGUYNQ-UWVGGRQHSA-N 1 1 193.294 2.030 10 0 AEAEMO CC1=CC[N@@H+](Cc2ccccn2)CC1 335798435 346420326 /nfs/dbraw/zinc/42/03/26/346420326.db2.gz BOMRCROYCRFUMI-UHFFFAOYSA-N 1 1 188.274 2.234 10 0 AEAEMO Cc1nc(C[N@H+]2C[C@H](C)[C@@H]2C)oc1C 335978969 346432164 /nfs/dbraw/zinc/43/21/64/346432164.db2.gz UEIVXRFQGKLGIJ-CBAPKCEASA-N 1 1 194.278 2.132 10 0 AEAEMO Cc1nc(C[N@@H+]2C[C@H](C)[C@@H]2C)oc1C 335978969 346432165 /nfs/dbraw/zinc/43/21/65/346432165.db2.gz UEIVXRFQGKLGIJ-CBAPKCEASA-N 1 1 194.278 2.132 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1Cc1n[nH]cc1C 336012664 346433559 /nfs/dbraw/zinc/43/35/59/346433559.db2.gz WCKDTVKAKWLRBP-SNVBAGLBSA-N 1 1 193.294 2.093 10 0 AEAEMO CC[C@@H]1CCC[N@@H+]1Cc1[nH]ncc1C 336012664 346433561 /nfs/dbraw/zinc/43/35/61/346433561.db2.gz WCKDTVKAKWLRBP-SNVBAGLBSA-N 1 1 193.294 2.093 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1Cc1[nH]ncc1C 336012664 346433562 /nfs/dbraw/zinc/43/35/62/346433562.db2.gz WCKDTVKAKWLRBP-SNVBAGLBSA-N 1 1 193.294 2.093 10 0 AEAEMO C[C@H]1CC[C@H](C)[N@@H+](Cc2ccon2)C1 336010035 346433627 /nfs/dbraw/zinc/43/36/27/346433627.db2.gz CLCHOBHFDJJIIT-UWVGGRQHSA-N 1 1 194.278 2.295 10 0 AEAEMO C[C@H]1C[N@H+](Cc2ccc(F)cn2)[C@H]1C 336229946 346446958 /nfs/dbraw/zinc/44/69/58/346446958.db2.gz ONFURHUCLVRBDC-IUCAKERBSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@H]1C[N@H+](Cc2ccc(F)cn2)[C@@H]1C 336229944 346447270 /nfs/dbraw/zinc/44/72/70/346447270.db2.gz ONFURHUCLVRBDC-DTWKUNHWSA-N 1 1 194.253 2.061 10 0 AEAEMO CC[C@H]1CC[N@H+]1C[C@H]1CCC(C)(C)O1 336276350 346451203 /nfs/dbraw/zinc/45/12/03/346451203.db2.gz CAERHVFFIFZFQX-WDEREUQCSA-N 1 1 197.322 2.428 10 0 AEAEMO C[C@H](O)[C@H]1CCCC[N@H+]1C1CCCC1 336345742 346456228 /nfs/dbraw/zinc/45/62/28/346456228.db2.gz CBIYJIVLJMREGD-CMPLNLGQSA-N 1 1 197.322 2.164 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1CCc1ccncc1 336340093 346456242 /nfs/dbraw/zinc/45/62/42/346456242.db2.gz URRWUQWFUFNPSL-PHIMTYICSA-N 1 1 190.290 2.107 10 0 AEAEMO C[N@@H+](CC1CCC1)[C@H]1CC[C@H](O)CC1 336404530 346461245 /nfs/dbraw/zinc/46/12/45/346461245.db2.gz QBFGYCKCKZZKHF-HAQNSBGRSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1[N@H+](C2CCCC2)CCOC1(C)C 336553106 346471786 /nfs/dbraw/zinc/47/17/86/346471786.db2.gz TZLZOTSWHZKXBA-SNVBAGLBSA-N 1 1 197.322 2.428 10 0 AEAEMO CC[C@H]1COCC[N@H+]1C1CCCC1 336553287 346471793 /nfs/dbraw/zinc/47/17/93/346471793.db2.gz GDFGOMPZFMVZIA-JTQLQIEISA-N 1 1 183.295 2.040 10 0 AEAEMO Cc1ccoc1[C@H]([NH3+])c1cnsc1 404881753 346654459 /nfs/dbraw/zinc/65/44/59/346654459.db2.gz SBHOPMWJJKCWAM-MRVPVSSYSA-N 1 1 194.259 2.093 10 0 AEAEMO Cc1ccoc1[C@@H]([NH3+])c1cnsc1 404881754 346654591 /nfs/dbraw/zinc/65/45/91/346654591.db2.gz SBHOPMWJJKCWAM-QMMMGPOBSA-N 1 1 194.259 2.093 10 0 AEAEMO C[C@@]1([NH3+])[C@H](c2ccccc2)C1(F)F 409430812 346690917 /nfs/dbraw/zinc/69/09/17/346690917.db2.gz HTGKKWFHOKKCSY-DTWKUNHWSA-N 1 1 183.201 2.137 10 0 AEAEMO c1ccc([C@H]2CCc3c[nH+]cn32)cc1 584610629 346727068 /nfs/dbraw/zinc/72/70/68/346727068.db2.gz VOOVKCVWGIJEAH-GFCCVEGCSA-N 1 1 184.242 2.419 10 0 AEAEMO CC[C@@H]1C[N@@H+](CC=C(C)C)C[C@H](C)O1 600700632 346916088 /nfs/dbraw/zinc/91/60/88/346916088.db2.gz AJUFANGRVLVGCC-NWDGAFQWSA-N 1 1 197.322 2.452 10 0 AEAEMO CC[C@H]1C[N@@H+](CC=C(C)C)C[C@H](C)O1 600700633 346916093 /nfs/dbraw/zinc/91/60/93/346916093.db2.gz AJUFANGRVLVGCC-RYUDHWBXSA-N 1 1 197.322 2.452 10 0 AEAEMO COCCCC[N@H+]1CCCC1(C)C 605150480 346969295 /nfs/dbraw/zinc/96/92/95/346969295.db2.gz ZPWDSTXVBLKKKS-UHFFFAOYSA-N 1 1 185.311 2.287 10 0 AEAEMO CCCCC[N@H+]1CCC[C@@H](N(C)C)C1 605150796 346969308 /nfs/dbraw/zinc/96/93/08/346969308.db2.gz FXCBNTLRFSSGHK-GFCCVEGCSA-N 1 1 198.354 2.203 10 0 AEAEMO CCCCCN1CCC[C@@H]([NH+](C)C)C1 605150796 346969309 /nfs/dbraw/zinc/96/93/09/346969309.db2.gz FXCBNTLRFSSGHK-GFCCVEGCSA-N 1 1 198.354 2.203 10 0 AEAEMO CCC[N@@H+](C)Cc1nc(C)cs1 605316802 346969875 /nfs/dbraw/zinc/96/98/75/346969875.db2.gz DACKMRGIBJJAEI-UHFFFAOYSA-N 1 1 184.308 2.293 10 0 AEAEMO CC(C)[N@@H+](C[C@H]1CCCO1)C1CCC1 607155936 346989569 /nfs/dbraw/zinc/98/95/69/346989569.db2.gz DWHMUHHEAZKBHX-GFCCVEGCSA-N 1 1 197.322 2.428 10 0 AEAEMO CC(C)[N@@H+](C[C@@H]1CCCO1)C1CCC1 607155937 346989605 /nfs/dbraw/zinc/98/96/05/346989605.db2.gz DWHMUHHEAZKBHX-LBPRGKRZSA-N 1 1 197.322 2.428 10 0 AEAEMO CCC[N@@H+](C(C)C)C1CCOCC1 607155911 346989651 /nfs/dbraw/zinc/98/96/51/346989651.db2.gz ILQIRUGTTDFSIW-UHFFFAOYSA-N 1 1 185.311 2.286 10 0 AEAEMO C[N@@H+](CCOCC1CC1)CC(C)(C)C 607729008 346993449 /nfs/dbraw/zinc/99/34/49/346993449.db2.gz FQYIRQXANJUOAK-UHFFFAOYSA-N 1 1 199.338 2.391 10 0 AEAEMO C[C@H]1CC[C@@H](C)C[N@@H+]1C[C@H]1CCCO1 608511100 347010383 /nfs/dbraw/zinc/01/03/83/347010383.db2.gz KMYKVYYPBKVCGN-GRYCIOLGSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@H]1CC[C@@H](C)C[N@@H+]1C[C@H]1CCOC1 608511131 347010557 /nfs/dbraw/zinc/01/05/57/347010557.db2.gz RMVUISILMQNZJQ-GRYCIOLGSA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]2CCOC2)C1 608511132 347010815 /nfs/dbraw/zinc/01/08/15/347010815.db2.gz RMVUISILMQNZJQ-IJLUTSLNSA-N 1 1 197.322 2.143 10 0 AEAEMO CSCC[N@H+]1CCC[C@H](C)[C@@H]1C 610216468 347022909 /nfs/dbraw/zinc/02/29/09/347022909.db2.gz AZNJGWFWVSYADW-UWVGGRQHSA-N 1 1 187.352 2.470 10 0 AEAEMO C[C@H]1CCC[N@@H+](CC2(C)COC2)CC1 608493553 347004112 /nfs/dbraw/zinc/00/41/12/347004112.db2.gz WJOYOAYNYLVLQQ-NSHDSACASA-N 1 1 197.322 2.145 10 0 AEAEMO CCc1cnc(C[N@@H+](C)CC2CC2)o1 608492765 347004138 /nfs/dbraw/zinc/00/41/38/347004138.db2.gz HHZWGDXNRFSJAF-UHFFFAOYSA-N 1 1 194.278 2.079 10 0 AEAEMO CC[N@H+]1CCOCC[C@H]1C(C)(C)C 616599398 347107983 /nfs/dbraw/zinc/10/79/83/347107983.db2.gz YRIGKIZCXUUIKH-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO CC(C)[C@H]1CCOCC[N@H+]1C(C)C 616599101 347108632 /nfs/dbraw/zinc/10/86/32/347108632.db2.gz OLECTPVIQUFMMW-LLVKDONJSA-N 1 1 185.311 2.142 10 0 AEAEMO CC[N@H+]1CCCC[C@H](c2cnco2)C1 616602255 347108985 /nfs/dbraw/zinc/10/89/85/347108985.db2.gz JSPCXTJJHUEDON-JTQLQIEISA-N 1 1 194.278 2.264 10 0 AEAEMO CC(C)(C)[N@H+]1CCC[C@@H](CCO)CC1 616601245 347108992 /nfs/dbraw/zinc/10/89/92/347108992.db2.gz NEWHGPPFZGNPDB-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[N@H+]1CCCC[C@H](c2ccno2)C1 616603987 347109920 /nfs/dbraw/zinc/10/99/20/347109920.db2.gz YOUIZHKDNDAEBP-JTQLQIEISA-N 1 1 194.278 2.264 10 0 AEAEMO CC[N@H+]1CCCC[C@@H]1c1cocn1 616614478 347120593 /nfs/dbraw/zinc/12/05/93/347120593.db2.gz QIRFYTFJLFRYFU-SNVBAGLBSA-N 1 1 180.251 2.222 10 0 AEAEMO CC[N@H+]1CCC[C@H](c2ccccn2)C1 616617546 347124602 /nfs/dbraw/zinc/12/46/02/347124602.db2.gz TUNAEVQYYIXBBF-NSHDSACASA-N 1 1 190.290 2.281 10 0 AEAEMO CC[N@H+]1CCC[C@H](C(F)F)CC1 616626867 347129960 /nfs/dbraw/zinc/12/99/60/347129960.db2.gz CWWUJCXPAWUDOD-QMMMGPOBSA-N 1 1 177.238 2.374 10 0 AEAEMO CC[N@H+]1CCC[C@H](c2cnoc2)CC1 616627730 347130238 /nfs/dbraw/zinc/13/02/38/347130238.db2.gz LLVVNWJQGZIYOK-JTQLQIEISA-N 1 1 194.278 2.264 10 0 AEAEMO C[N@H+]1CCCC[C@H](c2cccnc2)C1 616604022 347109926 /nfs/dbraw/zinc/10/99/26/347109926.db2.gz ZUIWXJRGGONAMW-LBPRGKRZSA-N 1 1 190.290 2.281 10 0 AEAEMO CC(C)(C)[C@H]1CCCC[N@@H+](CCO)C1 616604448 347109980 /nfs/dbraw/zinc/10/99/80/347109980.db2.gz PBDVYQGCDGSAOW-NSHDSACASA-N 1 1 199.338 2.127 10 0 AEAEMO C[N@H+]1CCCC[C@@H](c2cccnc2)C1 616605920 347111157 /nfs/dbraw/zinc/11/11/57/347111157.db2.gz ZUIWXJRGGONAMW-GFCCVEGCSA-N 1 1 190.290 2.281 10 0 AEAEMO CC[N@H+]1CCC[C@@H](c2ccno2)CC1 616609548 347113927 /nfs/dbraw/zinc/11/39/27/347113927.db2.gz BCKMXXWVZGRGSZ-SNVBAGLBSA-N 1 1 194.278 2.264 10 0 AEAEMO CC[N@H+]1CCC[C@@H](c2ncco2)CC1 616610459 347114852 /nfs/dbraw/zinc/11/48/52/347114852.db2.gz JYXBLTSSXVTIIW-SNVBAGLBSA-N 1 1 194.278 2.264 10 0 AEAEMO CC(C)[N@H+]1CC[C@H](OC(F)(F)F)C1 616612947 347117205 /nfs/dbraw/zinc/11/72/05/347117205.db2.gz CJMNXPAODQUVCF-ZETCQYMHSA-N 1 1 197.200 2.006 10 0 AEAEMO CC[N@H+]1CCC[C@H](c2cnco2)CC1 616628995 347130802 /nfs/dbraw/zinc/13/08/02/347130802.db2.gz RXKBMPZUVRTNRG-JTQLQIEISA-N 1 1 194.278 2.264 10 0 AEAEMO CC(=O)[C@H]1CCC[N@H+](C(C)C)CC1 616628947 347130899 /nfs/dbraw/zinc/13/08/99/347130899.db2.gz RNTSBFIXEFOYSD-NSHDSACASA-N 1 1 183.295 2.086 10 0 AEAEMO C[N@H+]1CCC[C@H](c2ccccn2)CC1 616630000 347130968 /nfs/dbraw/zinc/13/09/68/347130968.db2.gz STLJHWGCMKFHBV-NSHDSACASA-N 1 1 190.290 2.281 10 0 AEAEMO CC[N@H+]1CCO[C@H](C(C)(C)C)CC1 616687274 347168825 /nfs/dbraw/zinc/16/88/25/347168825.db2.gz ROHSCKRFPQANQV-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO Cc1cc(C[N@@H+]2C[C@@H](C)[C@@H]2C)ccn1 621298208 347225927 /nfs/dbraw/zinc/22/59/27/347225927.db2.gz MZIZEHTURWFXIL-KOLCDFICSA-N 1 1 190.290 2.230 10 0 AEAEMO CCOCC[N@@H+](C)[C@H](C)c1ccco1 621730739 347231555 /nfs/dbraw/zinc/23/15/55/347231555.db2.gz BOQFAIHTBFDBGH-SNVBAGLBSA-N 1 1 197.278 2.309 10 0 AEAEMO Cc1ncc(C[N@@H+](C)CCC2CC2)o1 628191036 347308987 /nfs/dbraw/zinc/30/89/87/347308987.db2.gz XRSXRJNKQOFALF-UHFFFAOYSA-N 1 1 194.278 2.215 10 0 AEAEMO C[C@H](Cc1[nH]cc[nH+]1)OC[C@@H]1C[C@H]1C 629166461 347335783 /nfs/dbraw/zinc/33/57/83/347335783.db2.gz UDBNCHAUWGCUJP-BBBLOLIVSA-N 1 1 194.278 2.013 10 0 AEAEMO CC[C@H]1CCCC[C@H]1C[N@@H+](C)CCO 628118620 347307089 /nfs/dbraw/zinc/30/70/89/347307089.db2.gz ASQPHMZKYZGDCB-RYUDHWBXSA-N 1 1 199.338 2.127 10 0 AEAEMO CC[N@@H+](C)Cc1cccc2n[nH]cc12 628129824 347307147 /nfs/dbraw/zinc/30/71/47/347307147.db2.gz WCTXJTLYKYZXGH-UHFFFAOYSA-N 1 1 189.262 2.015 10 0 AEAEMO C[C@H]1C[C@H]1CO[C@H](C)Cc1[nH]cc[nH+]1 629166460 347335831 /nfs/dbraw/zinc/33/58/31/347335831.db2.gz UDBNCHAUWGCUJP-AEJSXWLSSA-N 1 1 194.278 2.013 10 0 AEAEMO CCCCCN1CCCCC[C@H]([NH3+])C1 631832073 347388929 /nfs/dbraw/zinc/38/89/29/347388929.db2.gz YATCIQOBYXEPDR-LBPRGKRZSA-N 1 1 198.354 2.380 10 0 AEAEMO Cc1cn(C[C@H]2C[C@H]2C)c(C)[nH+]1 631011817 347373853 /nfs/dbraw/zinc/37/38/53/347373853.db2.gz DZXWUSAOVAFFLC-GMSGAONNSA-N 1 1 164.252 2.156 10 0 AEAEMO CCC[C@H]1C[C@H]1[NH2+]Cc1ncc(C)o1 638699897 347489067 /nfs/dbraw/zinc/48/90/67/347489067.db2.gz YBJIWJDCCBNYMS-VHSXEESVSA-N 1 1 194.278 2.261 10 0 AEAEMO CCC[C@@H](C[N@H+]1CCC=C(C)C1)OC 639132763 347502789 /nfs/dbraw/zinc/50/27/89/347502789.db2.gz FFGXAKRKXCIUSK-LBPRGKRZSA-N 1 1 197.322 2.454 10 0 AEAEMO CC(=O)C[N@@H+]1[C@H]2CCCC[C@@H]2C[C@H]1C 639496334 347520600 /nfs/dbraw/zinc/52/06/00/347520600.db2.gz FATJTIXLDPCQDO-JLLWLGSASA-N 1 1 195.306 2.228 10 0 AEAEMO CC[C@@]1(C)CCC[N@@H+](CC(C)=O)C1 639502610 347521267 /nfs/dbraw/zinc/52/12/67/347521267.db2.gz BNVBPQREFQXFCH-NSHDSACASA-N 1 1 183.295 2.088 10 0 AEAEMO CC(=O)C[N@H+]1C[C@H](C)CCC[C@@H]1C 639499152 347521756 /nfs/dbraw/zinc/52/17/56/347521756.db2.gz GGVYWZJGAZGSIN-ZJUUUORDSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@]1(CN2CCCC2)CCCC[NH2+]1 258325820 351861331 /nfs/dbraw/zinc/86/13/31/351861331.db2.gz WMUGWPZOPZKBRV-GFCCVEGCSA-N 1 1 196.338 2.005 10 0 AEAEMO Cc1ccc(F)c([C@H]2[NH2+]CCS2)c1 235893361 351817946 /nfs/dbraw/zinc/81/79/46/351817946.db2.gz TYURPBHQIUFDJL-JTQLQIEISA-N 1 1 197.278 2.469 10 0 AEAEMO C[C@@H]1COCC[N@@H+](CC2(C)CCC2)C1 336137389 352127214 /nfs/dbraw/zinc/12/72/14/352127214.db2.gz PRWYOHBLLLHVAU-NSHDSACASA-N 1 1 197.322 2.145 10 0 AEAEMO Cl/C=C(/Cl)C[NH2+]C1CSC1 575563867 352692762 /nfs/dbraw/zinc/69/27/62/352692762.db2.gz XQQYXBYYIAPEMB-ORCRQEGFSA-N 1 1 198.118 2.010 10 0 AEAEMO CCC(C)(C)CC[N@@H+]1C[C@H](C)[C@@H](N)C1 643074093 352936725 /nfs/dbraw/zinc/93/67/25/352936725.db2.gz PZORCSZOTXCMAV-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC1(C[NH2+][C@H]2CCC[C@@H]2N)CC1 643467001 352957353 /nfs/dbraw/zinc/95/73/53/352957353.db2.gz HCPMIPZZTNHIDW-QWRGUYRKSA-N 1 1 196.338 2.036 10 0 AEAEMO CC[C@H](N)C[NH2+][C@H]1CC[C@H]1C(C)(C)C 643540733 353003069 /nfs/dbraw/zinc/00/30/69/353003069.db2.gz HCRKBQYKCABLIQ-AXFHLTTASA-N 1 1 198.354 2.138 10 0 AEAEMO CCCCN1CCC[N@@H+](CC)C[C@H]1C 660792796 409622797 /nfs/dbraw/zinc/62/27/97/409622797.db2.gz HYYNPNCRVWJDLQ-GFCCVEGCSA-N 1 1 198.354 2.203 10 0 AEAEMO CCCCOC[NH+]1CCCCC1 1669637 342955928 /nfs/dbraw/zinc/95/59/28/342955928.db2.gz IHVXBLLYUDTMIL-UHFFFAOYSA-N 1 1 171.284 2.247 10 0 AEAEMO Cc1cc(C)c(C)[nH+]c1C 2038438 342968263 /nfs/dbraw/zinc/96/82/63/342968263.db2.gz ZAAVUWIYUMVQJG-UHFFFAOYSA-N 1 1 135.210 2.315 10 0 AEAEMO C[C@H]1CCC[C@@H]([N@H+]2CCC[C@H](O)C2)C1 4022960 342986548 /nfs/dbraw/zinc/98/65/48/342986548.db2.gz WFKFPZONMAFEJT-TUAOUCFPSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@H+]1CC[C@]2(Cl)CCCC[C@@H]2C1 4368297 342991229 /nfs/dbraw/zinc/99/12/29/342991229.db2.gz MRYUFOZJDFEZKI-NXEZZACHSA-N 1 1 187.714 2.490 10 0 AEAEMO Cc1cn2c3ccccc3[nH+]c2n1C 5285992 343000754 /nfs/dbraw/zinc/00/07/54/343000754.db2.gz JULUGBJXEOERCO-UHFFFAOYSA-N 1 1 185.230 2.134 10 0 AEAEMO C[C@H]1CCC[N@H+]2CCCC[C@H]12 5376250 343001838 /nfs/dbraw/zinc/00/18/38/343001838.db2.gz VZEGBIWAIFLVJH-VHSXEESVSA-N 1 1 153.269 2.271 10 0 AEAEMO CC12C=CC=C[NH+]1C=CC=C2 5977573 343010676 /nfs/dbraw/zinc/01/06/76/343010676.db2.gz SQJJKTLZSNJHJU-UHFFFAOYSA-N 1 1 145.205 2.214 10 0 AEAEMO C[N@@H+]1CC=C(c2cccc(O)c2)CC1 5966279 343010730 /nfs/dbraw/zinc/01/07/30/343010730.db2.gz QNIPNOMEHDJBAL-UHFFFAOYSA-N 1 1 189.258 2.111 10 0 AEAEMO C[N@@H+]1CC=C(c2cccs2)CC1 5966298 343010799 /nfs/dbraw/zinc/01/07/99/343010799.db2.gz DOJTZGGAMMSDRP-UHFFFAOYSA-N 1 1 179.288 2.467 10 0 AEAEMO C[N@@H+]1CC=C(Cc2ccccc2)CC1 5966259 343010980 /nfs/dbraw/zinc/01/09/80/343010980.db2.gz ARYZGNSJMRABMB-UHFFFAOYSA-N 1 1 187.286 2.491 10 0 AEAEMO CCCCN(CC)c1ccc(N)c[nH+]1 11568745 343022427 /nfs/dbraw/zinc/02/24/27/343022427.db2.gz OALVAYPGYOSZEF-UHFFFAOYSA-N 1 1 193.294 2.290 10 0 AEAEMO CCC[N@H+]1CCC[C@H]1C1CC1 17977679 343047474 /nfs/dbraw/zinc/04/74/74/343047474.db2.gz AGFYDFXOGKGPBU-JTQLQIEISA-N 1 1 153.269 2.271 10 0 AEAEMO CCC[N@H+]1CCC[C@@H]1C1CC1 17977678 343047480 /nfs/dbraw/zinc/04/74/80/343047480.db2.gz AGFYDFXOGKGPBU-SNVBAGLBSA-N 1 1 153.269 2.271 10 0 AEAEMO CCc1[nH+]c2n(c1C)CCCC2 13384165 343034517 /nfs/dbraw/zinc/03/45/17/343034517.db2.gz CEPVIRSMBYZDAG-UHFFFAOYSA-N 1 1 164.252 2.090 10 0 AEAEMO CCc1c(C)[nH+]c2n1CCCC2 13384164 343034726 /nfs/dbraw/zinc/03/47/26/343034726.db2.gz OSLLDMMZAKJNKZ-UHFFFAOYSA-N 1 1 164.252 2.090 10 0 AEAEMO C[N@H+]1CCC[C@H](c2cccc(O)c2)C1 13651748 343036777 /nfs/dbraw/zinc/03/67/77/343036777.db2.gz DKJJTEBJFLYIIS-NSHDSACASA-N 1 1 191.274 2.201 10 0 AEAEMO C[N@H+]1CCC[C@@H](c2cccc(O)c2)C1 13651749 343036843 /nfs/dbraw/zinc/03/68/43/343036843.db2.gz DKJJTEBJFLYIIS-LLVKDONJSA-N 1 1 191.274 2.201 10 0 AEAEMO C[C@H]1C[C@H](C)[N@@H+]2CCC[C@@H]2C1 14616407 343039587 /nfs/dbraw/zinc/03/95/87/343039587.db2.gz UMRIPHXQBKNPEB-LPEHRKFASA-N 1 1 153.269 2.269 10 0 AEAEMO C[C@H]1CCC[N@H+]2CCCC[C@@H]12 15767796 343042593 /nfs/dbraw/zinc/04/25/93/343042593.db2.gz VZEGBIWAIFLVJH-UWVGGRQHSA-N 1 1 153.269 2.271 10 0 AEAEMO CCCCN(CC)c1[nH+]cccc1N 19278357 343052872 /nfs/dbraw/zinc/05/28/72/343052872.db2.gz GFIQBFCGCFOCBW-UHFFFAOYSA-N 1 1 193.294 2.290 10 0 AEAEMO CC(C)N[C@@H]1CCCC[C@H]1[NH2+]C(C)C 19363867 343053543 /nfs/dbraw/zinc/05/35/43/343053543.db2.gz VGPJQHMGHSBWTG-VXGBXAGGSA-N 1 1 198.354 2.294 10 0 AEAEMO C[C@@H]1CC[N@@H+](C)[C@@H]2C=CC=C[C@H]21 19864646 343062650 /nfs/dbraw/zinc/06/26/50/343062650.db2.gz ZPUHWDZKMKLWRN-OUAUKWLOSA-N 1 1 163.264 2.069 10 0 AEAEMO CCCCc1ccc[nH+]c1N 21985768 343076860 /nfs/dbraw/zinc/07/68/60/343076860.db2.gz TUQWHXBPLNZJJY-UHFFFAOYSA-N 1 1 150.225 2.006 10 0 AEAEMO CC[C@@]12C=CC=CC1=[NH+]C=C2CCO 22116371 343078764 /nfs/dbraw/zinc/07/87/64/343078764.db2.gz YUPYFOYFZSTCKA-LBPRGKRZSA-N 1 1 189.258 2.230 10 0 AEAEMO CC[C@]12C=CC=CC1=[NH+]C=C2CCO 22116375 343078963 /nfs/dbraw/zinc/07/89/63/343078963.db2.gz YUPYFOYFZSTCKA-GFCCVEGCSA-N 1 1 189.258 2.230 10 0 AEAEMO CCC(C)(C)Nc1ccc(N)c[nH+]1 22146839 343079667 /nfs/dbraw/zinc/07/96/67/343079667.db2.gz FDBMQKZTKQHMKI-UHFFFAOYSA-N 1 1 179.267 2.264 10 0 AEAEMO C[C@H]1CCC[N@@H+](C[C@@H](N)C(C)(C)C)C1 23069376 343083321 /nfs/dbraw/zinc/08/33/21/343083321.db2.gz OTXAXGQDBQKJMX-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO CN(C)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] 23071355 343083359 /nfs/dbraw/zinc/08/33/59/343083359.db2.gz ATXGPTDCGGTJQZ-OUAUKWLOSA-N 1 1 198.354 2.090 10 0 AEAEMO CN(C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] 23071353 343083577 /nfs/dbraw/zinc/08/35/77/343083577.db2.gz ATXGPTDCGGTJQZ-GARJFASQSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[N@H+]1CCCCC[C@H]1C 23699232 343083901 /nfs/dbraw/zinc/08/39/01/343083901.db2.gz QTQRVCZPMDXKIV-SECBINFHSA-N 1 1 141.258 2.271 10 0 AEAEMO CC[C@H]1CCCCC[N@H+]1C 23699127 343084038 /nfs/dbraw/zinc/08/40/38/343084038.db2.gz JGCCDUKEEAKBOG-VIFPVBQESA-N 1 1 141.258 2.271 10 0 AEAEMO CC[N@H+]1CC[C@@H]2CCCC[C@@H]21 24056277 343085443 /nfs/dbraw/zinc/08/54/43/343085443.db2.gz GSXWVOZWKACRTO-UWVGGRQHSA-N 1 1 153.269 2.271 10 0 AEAEMO C[C@H]1CC[C@H]2CCCC[N@@H+]12 25877199 343087002 /nfs/dbraw/zinc/08/70/02/343087002.db2.gz APKFRCJPKPDWSL-DTWKUNHWSA-N 1 1 139.242 2.023 10 0 AEAEMO CC(C)[C@@H](C)Nc1[nH+]cccc1N 26516014 343089707 /nfs/dbraw/zinc/08/97/07/343089707.db2.gz LIOOJFIPJWSDNX-MRVPVSSYSA-N 1 1 179.267 2.120 10 0 AEAEMO CCC(C)(C)Nc1[nH+]cccc1N 26516012 343089712 /nfs/dbraw/zinc/08/97/12/343089712.db2.gz FWWXIMIYJYYIMI-UHFFFAOYSA-N 1 1 179.267 2.264 10 0 AEAEMO CC(C)[C@@H](C)Nc1ccc(N)c[nH+]1 26516018 343089719 /nfs/dbraw/zinc/08/97/19/343089719.db2.gz UUCIIYKRLLFDLF-MRVPVSSYSA-N 1 1 179.267 2.120 10 0 AEAEMO CC(C)[C@H](C)Nc1[nH+]cccc1N 26516016 343089780 /nfs/dbraw/zinc/08/97/80/343089780.db2.gz LIOOJFIPJWSDNX-QMMMGPOBSA-N 1 1 179.267 2.120 10 0 AEAEMO C[N@@H+](Cc1ccccc1)C1CC1 28764264 343092363 /nfs/dbraw/zinc/09/23/63/343092363.db2.gz CZZTXRVBXKBAFE-UHFFFAOYSA-N 1 1 161.248 2.281 10 0 AEAEMO CC(C)[N@H+]1CCc2ccc(N)cc2C1 32008333 343096717 /nfs/dbraw/zinc/09/67/17/343096717.db2.gz MGEZLOOETLTLSI-UHFFFAOYSA-N 1 1 190.290 2.035 10 0 AEAEMO C[N@H+]1CC[C@@H](Cc2ccccc2)C1 34411700 343118514 /nfs/dbraw/zinc/11/85/14/343118514.db2.gz ZREQEIWHVYEAMY-LBPRGKRZSA-N 1 1 175.275 2.181 10 0 AEAEMO C[N@H+]1CC[C@H](Cc2ccccc2)C1 34411699 343118706 /nfs/dbraw/zinc/11/87/06/343118706.db2.gz ZREQEIWHVYEAMY-GFCCVEGCSA-N 1 1 175.275 2.181 10 0 AEAEMO CC(C)(C)[N@@H+]1CC=CCC1 34754700 343124744 /nfs/dbraw/zinc/12/47/44/343124744.db2.gz IQXDZTUOINMGPX-UHFFFAOYSA-N 1 1 139.242 2.047 10 0 AEAEMO Cc1[nH+]ccc2cc(O)ccc12 34770549 343125108 /nfs/dbraw/zinc/12/51/08/343125108.db2.gz FZEAFQGXLLXUFJ-UHFFFAOYSA-N 1 1 159.188 2.249 10 0 AEAEMO C[C@H]1CCCC[N@H+]1CC(=O)C(C)(C)C 34989806 343127306 /nfs/dbraw/zinc/12/73/06/343127306.db2.gz XWIWAYHNLYVMCY-JTQLQIEISA-N 1 1 197.322 2.476 10 0 AEAEMO Cc1ccc2nc([C@@H](C)[NH3+])oc2c1 35279089 343131165 /nfs/dbraw/zinc/13/11/65/343131165.db2.gz BWOVLTZQSYNEAO-SSDOTTSWSA-N 1 1 176.219 2.156 10 0 AEAEMO Cc1ccc2nc([C@H](C)[NH3+])oc2c1 35279094 343131309 /nfs/dbraw/zinc/13/13/09/343131309.db2.gz BWOVLTZQSYNEAO-ZETCQYMHSA-N 1 1 176.219 2.156 10 0 AEAEMO Cc1cc(-n2cc[nH+]c2C)ccc1N 35278303 343131343 /nfs/dbraw/zinc/13/13/43/343131343.db2.gz RYHPFNPWHDTNOR-UHFFFAOYSA-N 1 1 187.246 2.071 10 0 AEAEMO C[N@@H+](Cc1cc(F)ccc1N)C1CC1 35308500 343131877 /nfs/dbraw/zinc/13/18/77/343131877.db2.gz JRLUPONZJYDZTG-UHFFFAOYSA-N 1 1 194.253 2.002 10 0 AEAEMO CCCC[C@@H]([NH3+])c1nc(C(C)C)no1 35411441 343132543 /nfs/dbraw/zinc/13/25/43/343132543.db2.gz DSTLGPFTWGIFFL-MRVPVSSYSA-N 1 1 197.282 2.383 10 0 AEAEMO CC(C)c1noc([C@@H]([NH3+])C(C)(C)C)n1 35411439 343132623 /nfs/dbraw/zinc/13/26/23/343132623.db2.gz SDYBBLKGVXVDAF-SSDOTTSWSA-N 1 1 197.282 2.239 10 0 AEAEMO CC[C@@H]([NH3+])c1nc2ccccc2o1 35411537 343132639 /nfs/dbraw/zinc/13/26/39/343132639.db2.gz IIUZXCIIMICGHH-SSDOTTSWSA-N 1 1 176.219 2.238 10 0 AEAEMO CC(C)c1noc([C@H]([NH3+])C(C)(C)C)n1 35411438 343132701 /nfs/dbraw/zinc/13/27/01/343132701.db2.gz SDYBBLKGVXVDAF-ZETCQYMHSA-N 1 1 197.282 2.239 10 0 AEAEMO CCCC[C@@H]([NH3+])c1nc(C2CC2)no1 35411491 343132713 /nfs/dbraw/zinc/13/27/13/343132713.db2.gz FHJXFSBJQKYCHM-MRVPVSSYSA-N 1 1 195.266 2.137 10 0 AEAEMO CCCC[C@H]([NH3+])c1nc(C2CC2)no1 35411490 343132729 /nfs/dbraw/zinc/13/27/29/343132729.db2.gz FHJXFSBJQKYCHM-QMMMGPOBSA-N 1 1 195.266 2.137 10 0 AEAEMO CCCC[C@H]([NH3+])c1nc(C(C)C)no1 35411440 343132733 /nfs/dbraw/zinc/13/27/33/343132733.db2.gz DSTLGPFTWGIFFL-QMMMGPOBSA-N 1 1 197.282 2.383 10 0 AEAEMO CC[C@H]([NH3+])c1nc2ccccc2o1 35411536 343132815 /nfs/dbraw/zinc/13/28/15/343132815.db2.gz IIUZXCIIMICGHH-ZETCQYMHSA-N 1 1 176.219 2.238 10 0 AEAEMO Cc1c(N)cccc1C[N@H+](C)C(C)C 35648960 343135021 /nfs/dbraw/zinc/13/50/21/343135021.db2.gz DRBOVTGMHNEVLV-UHFFFAOYSA-N 1 1 192.306 2.417 10 0 AEAEMO CC[N@@H+](CCCCO)C1CCCCC1 35649781 343135476 /nfs/dbraw/zinc/13/54/76/343135476.db2.gz ZCVIBOXLKKOTAV-UHFFFAOYSA-N 1 1 199.338 2.414 10 0 AEAEMO CC(C)c1[nH]c2c(N)cccc2[nH+]1 36281870 343143507 /nfs/dbraw/zinc/14/35/07/343143507.db2.gz XHVNCDXENZCUNK-UHFFFAOYSA-N 1 1 175.235 2.269 10 0 AEAEMO CC(C)Cc1[nH]c2c(N)cccc2[nH+]1 36281881 343143535 /nfs/dbraw/zinc/14/35/35/343143535.db2.gz ZSKHOIZENPGFML-UHFFFAOYSA-N 1 1 189.262 2.344 10 0 AEAEMO C[C@H]1C[C@@H]2CCC[N@H+]2[C@H](C)C1 36455764 343146102 /nfs/dbraw/zinc/14/61/02/343146102.db2.gz UMRIPHXQBKNPEB-BBBLOLIVSA-N 1 1 153.269 2.269 10 0 AEAEMO CC[C@H](C)[N@H+]1Cc2cccc(N)c2C1 36683602 343148105 /nfs/dbraw/zinc/14/81/05/343148105.db2.gz HPDZCPMOASVVNY-VIFPVBQESA-N 1 1 190.290 2.383 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)[C@@H]1CCCC[C@@H]1N 36787152 343150649 /nfs/dbraw/zinc/15/06/49/343150649.db2.gz CGFMTLCMPDTBFV-SDDRHHMPSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@@H]1CC[C@H](N)[C@H]([N@@H+](C)C(C)C)C1 36874694 343152301 /nfs/dbraw/zinc/15/23/01/343152301.db2.gz RXZOIICJDTZVTB-GRYCIOLGSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@@H]1CC[C@H]([NH3+])[C@H](N(C)C(C)C)C1 36874694 343152303 /nfs/dbraw/zinc/15/23/03/343152303.db2.gz RXZOIICJDTZVTB-GRYCIOLGSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@@H]1CC[C@@H](N)[C@H]([N@@H+](C)C(C)C)C1 36874696 343152359 /nfs/dbraw/zinc/15/23/59/343152359.db2.gz RXZOIICJDTZVTB-IJLUTSLNSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@@H]1CC[C@@H]([NH3+])[C@H](N(C)C(C)C)C1 36874696 343152362 /nfs/dbraw/zinc/15/23/62/343152362.db2.gz RXZOIICJDTZVTB-IJLUTSLNSA-N 1 1 198.354 2.233 10 0 AEAEMO CCc1[nH]c([C@H]2CCCC[NH2+]2)nc1C 36876646 343152612 /nfs/dbraw/zinc/15/26/12/343152612.db2.gz QTALBUFJXOIMNU-SNVBAGLBSA-N 1 1 193.294 2.095 10 0 AEAEMO CN(C)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1[NH3+] 36879209 343152653 /nfs/dbraw/zinc/15/26/53/343152653.db2.gz ATXGPTDCGGTJQZ-GMTAPVOTSA-N 1 1 198.354 2.090 10 0 AEAEMO CN(C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1[NH3+] 36879211 343152739 /nfs/dbraw/zinc/15/27/39/343152739.db2.gz ATXGPTDCGGTJQZ-HBNTYKKESA-N 1 1 198.354 2.090 10 0 AEAEMO CCc1[nH]c([C@@H]2CCCC[NH2+]2)nc1C 36876645 343152820 /nfs/dbraw/zinc/15/28/20/343152820.db2.gz QTALBUFJXOIMNU-JTQLQIEISA-N 1 1 193.294 2.095 10 0 AEAEMO CCCC[C@H]([NH3+])c1nc(CCC)no1 36915786 343154295 /nfs/dbraw/zinc/15/42/95/343154295.db2.gz PRGAFHOJBFHKTF-QMMMGPOBSA-N 1 1 197.282 2.212 10 0 AEAEMO CCCC[C@@H]([NH3+])c1nc(CCC)no1 36915787 343154431 /nfs/dbraw/zinc/15/44/31/343154431.db2.gz PRGAFHOJBFHKTF-MRVPVSSYSA-N 1 1 197.282 2.212 10 0 AEAEMO Cc1cc(N)ccc1[NH2+]CC1CC1 36950104 343155962 /nfs/dbraw/zinc/15/59/62/343155962.db2.gz AASPOKXAPCMWHQ-UHFFFAOYSA-N 1 1 176.263 2.399 10 0 AEAEMO Cc1ccc(-n2cc[nH+]c2C)c(N)c1 36964601 343156413 /nfs/dbraw/zinc/15/64/13/343156413.db2.gz GMJURYDHISWMGC-UHFFFAOYSA-N 1 1 187.246 2.071 10 0 AEAEMO CC(C)[N@@H+](C)[C@@]1(CN)CCCC[C@H]1C 36998903 343157323 /nfs/dbraw/zinc/15/73/23/343157323.db2.gz MAYWDBJLXDHAAL-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[N@@H+](C)[C@]1(CN)CCCC[C@H]1C 36998902 343157505 /nfs/dbraw/zinc/15/75/05/343157505.db2.gz MAYWDBJLXDHAAL-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)Nc1ccc[nH+]c1N(C)C 37028835 343157924 /nfs/dbraw/zinc/15/79/24/343157924.db2.gz NJIBAZVJSYTFDG-VIFPVBQESA-N 1 1 193.294 2.358 10 0 AEAEMO Cc1ccc(C[N@H+](C)C2CC2)cc1N 37081284 343158296 /nfs/dbraw/zinc/15/82/96/343158296.db2.gz LIUUMEJBNFHWRP-UHFFFAOYSA-N 1 1 190.290 2.171 10 0 AEAEMO C[N@@H+](C1CC1)C1(CN)CCCCCC1 37080822 343158594 /nfs/dbraw/zinc/15/85/94/343158594.db2.gz KLZOLIVFYNMEFO-UHFFFAOYSA-N 1 1 196.338 2.132 10 0 AEAEMO CN(C1CC1)C1(C[NH3+])CCCCCC1 37080822 343158596 /nfs/dbraw/zinc/15/85/96/343158596.db2.gz KLZOLIVFYNMEFO-UHFFFAOYSA-N 1 1 196.338 2.132 10 0 AEAEMO C[N@H+](C[C@H]1CCCCN1)C1CCCC1 37092905 343159106 /nfs/dbraw/zinc/15/91/06/343159106.db2.gz WRAQBYXYVCQLFK-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO C[N@@H+](C[C@H]1CCCCN1)C1CCCC1 37092905 343159108 /nfs/dbraw/zinc/15/91/08/343159108.db2.gz WRAQBYXYVCQLFK-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1[C@@H]1CCC[C@@H]1N 37083156 343159113 /nfs/dbraw/zinc/15/91/13/343159113.db2.gz UEYQORMQUQBVIL-GRYCIOLGSA-N 1 1 196.338 2.131 10 0 AEAEMO C[N@@H+](C1CCCC1)C1(CN)CCCC1 37084198 343159301 /nfs/dbraw/zinc/15/93/01/343159301.db2.gz JEDIIESCWPLRLJ-UHFFFAOYSA-N 1 1 196.338 2.132 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1N 37109961 343159719 /nfs/dbraw/zinc/15/97/19/343159719.db2.gz XIHABWHRFOWPIH-NOOOWODRSA-N 1 1 198.354 2.233 10 0 AEAEMO C[N@H+](C1CCCCC1)[C@@H]1CCC[C@@H]1N 37116787 343160388 /nfs/dbraw/zinc/16/03/88/343160388.db2.gz RDDFZKSWFFBFJQ-NWDGAFQWSA-N 1 1 196.338 2.131 10 0 AEAEMO C[N@H+](C1CCCCC1)[C@H]1CCC[C@@H]1N 37116788 343160475 /nfs/dbraw/zinc/16/04/75/343160475.db2.gz RDDFZKSWFFBFJQ-RYUDHWBXSA-N 1 1 196.338 2.131 10 0 AEAEMO CC(C)[C@@H]([NH3+])CN1[C@H](C)CCC[C@H]1C 37116003 343160516 /nfs/dbraw/zinc/16/05/16/343160516.db2.gz YFLLQTGVCWUZIG-UTUOFQBUSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1[C@@H]1CCCC1=O 37334576 343165026 /nfs/dbraw/zinc/16/50/26/343165026.db2.gz JXFPYWNIFGSDTM-WDEREUQCSA-N 1 1 195.306 2.373 10 0 AEAEMO C[N@H+](C1CCCCC1)[C@H]1CCCC1=O 37333182 343165093 /nfs/dbraw/zinc/16/50/93/343165093.db2.gz PIOHUQHSMKIONF-NSHDSACASA-N 1 1 195.306 2.373 10 0 AEAEMO C[N@@H+](C1CCCC1)[C@H]1CCCCC1=O 37334686 343165107 /nfs/dbraw/zinc/16/51/07/343165107.db2.gz VFJNFOPXOQHRNJ-NSHDSACASA-N 1 1 195.306 2.373 10 0 AEAEMO C[C@H]1CCC[N@H+]([C@@H]2CCCCC2=O)C1 37332552 343165117 /nfs/dbraw/zinc/16/51/17/343165117.db2.gz ZODWBUHLIJDQRC-WDEREUQCSA-N 1 1 195.306 2.230 10 0 AEAEMO C[N@H+](C1CCCCC1)[C@@H]1CCCC1=O 37333180 343165172 /nfs/dbraw/zinc/16/51/72/343165172.db2.gz PIOHUQHSMKIONF-LLVKDONJSA-N 1 1 195.306 2.373 10 0 AEAEMO C[C@H]1CCCC[N@H+]1[C@@H]1CCCCC1=O 37332282 343165317 /nfs/dbraw/zinc/16/53/17/343165317.db2.gz OHQGQHKPKPMMIJ-WDEREUQCSA-N 1 1 195.306 2.373 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1[C@@H]1CCCC1=O 37334574 343165330 /nfs/dbraw/zinc/16/53/30/343165330.db2.gz JXFPYWNIFGSDTM-GHMZBOCLSA-N 1 1 195.306 2.373 10 0 AEAEMO C[N@@H+](C1CCCC1)[C@@H]1CCCCC1=O 37334684 343165518 /nfs/dbraw/zinc/16/55/18/343165518.db2.gz VFJNFOPXOQHRNJ-LLVKDONJSA-N 1 1 195.306 2.373 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)[C@@H]1CCCCC1=O 37338987 343165699 /nfs/dbraw/zinc/16/56/99/343165699.db2.gz JNRWIWQOZMQDET-GHMZBOCLSA-N 1 1 197.322 2.474 10 0 AEAEMO CC(=O)C[N@H+]1CCC[C@H]2CCCC[C@@H]21 37340325 343165817 /nfs/dbraw/zinc/16/58/17/343165817.db2.gz MYXTXDGEBFZFKQ-NEPJUHHUSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)[C@@H]1CCCCC1=O 37338988 343165887 /nfs/dbraw/zinc/16/58/87/343165887.db2.gz JNRWIWQOZMQDET-WDEREUQCSA-N 1 1 197.322 2.474 10 0 AEAEMO CC[C@H]1CCC[N@H+]([C@@H](C)C(C)=O)C1 37339478 343165913 /nfs/dbraw/zinc/16/59/13/343165913.db2.gz ISAWORMFVKJLBU-ONGXEEELSA-N 1 1 183.295 2.086 10 0 AEAEMO C[C@H]1CCCC[N@H+]1CC1(N)CCCC1 37479562 343170972 /nfs/dbraw/zinc/17/09/72/343170972.db2.gz HQBACVWZWBPLMZ-NSHDSACASA-N 1 1 196.338 2.132 10 0 AEAEMO C[C@H]1CCCCN1CC1([NH3+])CCCC1 37479562 343170974 /nfs/dbraw/zinc/17/09/74/343170974.db2.gz HQBACVWZWBPLMZ-NSHDSACASA-N 1 1 196.338 2.132 10 0 AEAEMO C[N@@H+](CC1(N)CCCC1)C1CCCC1 37479602 343171071 /nfs/dbraw/zinc/17/10/71/343171071.db2.gz LOWMGXXASZYTAT-UHFFFAOYSA-N 1 1 196.338 2.132 10 0 AEAEMO CN(CC1([NH3+])CCCC1)C1CCCC1 37479602 343171073 /nfs/dbraw/zinc/17/10/73/343171073.db2.gz LOWMGXXASZYTAT-UHFFFAOYSA-N 1 1 196.338 2.132 10 0 AEAEMO Cc1ccc(C)n1C[C@H]1CC[N@H+](C)C1 37485252 343171710 /nfs/dbraw/zinc/17/17/10/343171710.db2.gz WJABSWVNJGNPIS-LBPRGKRZSA-N 1 1 192.306 2.057 10 0 AEAEMO Cc1ccc(C)n1C[C@@H]1CC[N@H+](C)C1 37485251 343171793 /nfs/dbraw/zinc/17/17/93/343171793.db2.gz WJABSWVNJGNPIS-GFCCVEGCSA-N 1 1 192.306 2.057 10 0 AEAEMO CC(C)[C@H](C)N(C)c1[nH+]cccc1N 37504604 343171848 /nfs/dbraw/zinc/17/18/48/343171848.db2.gz NAYMCSBQMJWDJT-VIFPVBQESA-N 1 1 193.294 2.145 10 0 AEAEMO Cc1cc(N[C@@H](C)C2CC2)nc(C)[nH+]1 37498706 343171869 /nfs/dbraw/zinc/17/18/69/343171869.db2.gz GZPQLOIPZHCMMN-QMMMGPOBSA-N 1 1 191.278 2.304 10 0 AEAEMO C[N@H+](C1CCCCC1)[C@H]1CCC[C@@H]1O 37489632 343171990 /nfs/dbraw/zinc/17/19/90/343171990.db2.gz VZLKXYNQGHVBAK-RYUDHWBXSA-N 1 1 197.322 2.164 10 0 AEAEMO CC(C)[C@@H](C)N(C)c1[nH+]cccc1N 37504603 343172010 /nfs/dbraw/zinc/17/20/10/343172010.db2.gz NAYMCSBQMJWDJT-SECBINFHSA-N 1 1 193.294 2.145 10 0 AEAEMO CCCCNc1cc(C)[nH+]c(C)n1 37498407 343172025 /nfs/dbraw/zinc/17/20/25/343172025.db2.gz FTNPLPIRGSPBKQ-UHFFFAOYSA-N 1 1 179.267 2.305 10 0 AEAEMO CC(C)[N@@H+](C)[C@H]1CCCCCC1=O 37660932 343173253 /nfs/dbraw/zinc/17/32/53/343173253.db2.gz NKGAZPOUQGHSRO-JTQLQIEISA-N 1 1 183.295 2.228 10 0 AEAEMO CC(C)[N@@H+](C)[C@@H]1CCCCCC1=O 37660931 343173362 /nfs/dbraw/zinc/17/33/62/343173362.db2.gz NKGAZPOUQGHSRO-SNVBAGLBSA-N 1 1 183.295 2.228 10 0 AEAEMO CCC[N@@H+](C)[C@@H]1CCCCCC1=O 37661070 343173403 /nfs/dbraw/zinc/17/34/03/343173403.db2.gz UQYVKRCMQWOROR-SNVBAGLBSA-N 1 1 183.295 2.230 10 0 AEAEMO Cc1cccc(NCC(F)(F)F)[nH+]1 37670561 343173443 /nfs/dbraw/zinc/17/34/43/343173443.db2.gz ZCOPRVZARAEFGT-UHFFFAOYSA-N 1 1 190.168 2.364 10 0 AEAEMO CCC[N@@H+](C)[C@H]1CCCCCC1=O 37661071 343173504 /nfs/dbraw/zinc/17/35/04/343173504.db2.gz UQYVKRCMQWOROR-JTQLQIEISA-N 1 1 183.295 2.230 10 0 AEAEMO C[N@@H+](CC(C)(C)O)C1CCCCC1 37693724 343175440 /nfs/dbraw/zinc/17/54/40/343175440.db2.gz DGWQTZGHZIYLBR-UHFFFAOYSA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1CC(C)(C)O 37693883 343175446 /nfs/dbraw/zinc/17/54/46/343175446.db2.gz HTOHOMQNZDJWBX-JTQLQIEISA-N 1 1 185.311 2.022 10 0 AEAEMO C[C@@H](O)C[N@H+]1CCC[C@H]2CCCC[C@@H]21 37694182 343175806 /nfs/dbraw/zinc/17/58/06/343175806.db2.gz BOBRHCBSFMXXSJ-UTUOFQBUSA-N 1 1 197.322 2.022 10 0 AEAEMO c1cc(C[NH2+]CCC2CCCC2)[nH]n1 37739696 343177387 /nfs/dbraw/zinc/17/73/87/343177387.db2.gz JWVLHCADYHMFQM-UHFFFAOYSA-N 1 1 193.294 2.080 10 0 AEAEMO Cc1ccc2oc([C@H](C)[NH3+])nc2c1 37746462 343177672 /nfs/dbraw/zinc/17/76/72/343177672.db2.gz GAXYEBXQJOAWKV-ZETCQYMHSA-N 1 1 176.219 2.156 10 0 AEAEMO C[C@H]1CCC[N@@H+]1CC1(N)CCCCC1 37911193 343180080 /nfs/dbraw/zinc/18/00/80/343180080.db2.gz UCDVNUBIAPRTLS-NSHDSACASA-N 1 1 196.338 2.132 10 0 AEAEMO C[C@H]1CCC[N@H+]1CC1(N)CCCCC1 37911193 343180082 /nfs/dbraw/zinc/18/00/82/343180082.db2.gz UCDVNUBIAPRTLS-NSHDSACASA-N 1 1 196.338 2.132 10 0 AEAEMO C[C@H]1CCC[N@H+]1Cc1ccccc1N 37909912 343180328 /nfs/dbraw/zinc/18/03/28/343180328.db2.gz CNKDXWGNAXIOBZ-JTQLQIEISA-N 1 1 190.290 2.253 10 0 AEAEMO C[C@H]1CCC[N@H+]1CC(=O)C(C)(C)C 37911543 343180490 /nfs/dbraw/zinc/18/04/90/343180490.db2.gz XFKHXWSBGQXREB-VIFPVBQESA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@@H]1CCCC[C@@H]1N 37913604 343180967 /nfs/dbraw/zinc/18/09/67/343180967.db2.gz DVTYOOUILGORNG-GRYCIOLGSA-N 1 1 196.338 2.131 10 0 AEAEMO CC[C@H]1CCC[N@H+]1C1(CN)CCCC1 37913423 343181033 /nfs/dbraw/zinc/18/10/33/343181033.db2.gz QFMFNODIPZIUQZ-NSHDSACASA-N 1 1 196.338 2.132 10 0 AEAEMO CC[C@@H]1CCCN1c1ccc(N)c[nH+]1 37913071 343181051 /nfs/dbraw/zinc/18/10/51/343181051.db2.gz FEJBTCOTLDSQIQ-SNVBAGLBSA-N 1 1 191.278 2.043 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@@H]1CCCCC1=O 37914617 343181141 /nfs/dbraw/zinc/18/11/41/343181141.db2.gz VPIOQFFVAQIYTE-GHMZBOCLSA-N 1 1 195.306 2.373 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1C1(CN)CCCC1 37913422 343181156 /nfs/dbraw/zinc/18/11/56/343181156.db2.gz QFMFNODIPZIUQZ-LLVKDONJSA-N 1 1 196.338 2.132 10 0 AEAEMO C[N@@H+](CC1CC1)[C@@H]1CCCCCC1=O 37925131 343181820 /nfs/dbraw/zinc/18/18/20/343181820.db2.gz XKYODCZJRMDDEV-LLVKDONJSA-N 1 1 195.306 2.230 10 0 AEAEMO C[N@@H+](CC1CC1)[C@H]1CCCCCC1=O 37925132 343181825 /nfs/dbraw/zinc/18/18/25/343181825.db2.gz XKYODCZJRMDDEV-NSHDSACASA-N 1 1 195.306 2.230 10 0 AEAEMO CCc1ccc(C(=[NH2+])OC)cc1 37927990 343182089 /nfs/dbraw/zinc/18/20/89/343182089.db2.gz OXVMQHCEHLUDLD-UHFFFAOYSA-N 1 1 163.220 2.221 10 0 AEAEMO CCC[N@H+]1CCc2c(N)cccc2C1 38032532 343183436 /nfs/dbraw/zinc/18/34/36/343183436.db2.gz SUWFFJJQLMPVLL-UHFFFAOYSA-N 1 1 190.290 2.037 10 0 AEAEMO Cc1cccc2oc([C@@H](C)[NH3+])nc12 38052775 343183917 /nfs/dbraw/zinc/18/39/17/343183917.db2.gz XDUNJGPBYDYJMG-SSDOTTSWSA-N 1 1 176.219 2.156 10 0 AEAEMO Cc1cccc2oc([C@H](C)[NH3+])nc12 38052776 343184114 /nfs/dbraw/zinc/18/41/14/343184114.db2.gz XDUNJGPBYDYJMG-ZETCQYMHSA-N 1 1 176.219 2.156 10 0 AEAEMO C[C@H]1C[C@H](C)[N@@H+]2CCC[C@H]2C1 38350189 343187933 /nfs/dbraw/zinc/18/79/33/343187933.db2.gz UMRIPHXQBKNPEB-GUBZILKMSA-N 1 1 153.269 2.269 10 0 AEAEMO CC[C@H](C)c1cc[nH+]c(N)c1 39048629 343193251 /nfs/dbraw/zinc/19/32/51/343193251.db2.gz NHRKUBRLJCKFRW-ZETCQYMHSA-N 1 1 150.225 2.177 10 0 AEAEMO Cc1cc(C)c2c([nH+]1)CCC2 39050596 343193549 /nfs/dbraw/zinc/19/35/49/343193549.db2.gz FXHMJNFBMGRHOI-UHFFFAOYSA-N 1 1 147.221 2.187 10 0 AEAEMO CCC[N@H+]1CCC=C(C)C1 39078513 343196552 /nfs/dbraw/zinc/19/65/52/343196552.db2.gz XRKYLLLVECTBGI-UHFFFAOYSA-N 1 1 139.242 2.048 10 0 AEAEMO C[C@H]1CCC[C@H]2C[C@@H](C)C[N@H+]12 39080445 343196861 /nfs/dbraw/zinc/19/68/61/343196861.db2.gz KZBHBOGGHZZBMN-UTLUCORTSA-N 1 1 153.269 2.269 10 0 AEAEMO C[C@H]1C[C@@H](C)C[C@@H]2CCC[N@@H+]12 39080452 343196965 /nfs/dbraw/zinc/19/69/65/343196965.db2.gz UMRIPHXQBKNPEB-UTLUCORTSA-N 1 1 153.269 2.269 10 0 AEAEMO C[C@H]1CCC[C@@H]2C[C@@H](C)C[N@H+]12 39080449 343197158 /nfs/dbraw/zinc/19/71/58/343197158.db2.gz KZBHBOGGHZZBMN-KXUCPTDWSA-N 1 1 153.269 2.269 10 0 AEAEMO CCC[N@@H+](C)C1CCC(OC)CC1 39090248 343198075 /nfs/dbraw/zinc/19/80/75/343198075.db2.gz HBGMVKUVOBRUOD-UHFFFAOYSA-N 1 1 185.311 2.286 10 0 AEAEMO CC(C)[N@H+]1CC12CCCCC2 39103227 343198524 /nfs/dbraw/zinc/19/85/24/343198524.db2.gz GVUYPHZJTRAJMY-UHFFFAOYSA-N 1 1 153.269 2.413 10 0 AEAEMO CC(C)c1c[nH+]c2ccccn12 39103724 343199019 /nfs/dbraw/zinc/19/90/19/343199019.db2.gz LFBIZWHBZRUSCW-UHFFFAOYSA-N 1 1 160.220 2.458 10 0 AEAEMO CC(C)C1=NC(=S)SC1[NH3+] 39104733 343199170 /nfs/dbraw/zinc/19/91/70/343199170.db2.gz AHDJKHUOKILYDJ-UHFFFAOYSA-N 1 1 174.294 2.137 10 0 AEAEMO CC[C@H]1Nc2ccc[nH+]c2N[C@@H]1CC 39115468 343201491 /nfs/dbraw/zinc/20/14/91/343201491.db2.gz JTIGMZYQARDTPE-RKDXNWHRSA-N 1 1 191.278 2.476 10 0 AEAEMO C[N@@H+]1CCc2cc(Cl)sc2C1 39123412 343202403 /nfs/dbraw/zinc/20/24/03/343202403.db2.gz LODRKBZVDBEJPB-UHFFFAOYSA-N 1 1 187.695 2.389 10 0 AEAEMO C[N@H+]1CCc2cc(Cl)sc2C1 39123412 343202405 /nfs/dbraw/zinc/20/24/05/343202405.db2.gz LODRKBZVDBEJPB-UHFFFAOYSA-N 1 1 187.695 2.389 10 0 AEAEMO Cc1cc2c(s1)C[N@@H+](C)[C@H](C)C2 39123409 343202420 /nfs/dbraw/zinc/20/24/20/343202420.db2.gz MLGMCMWACNJKAL-SSDOTTSWSA-N 1 1 181.304 2.433 10 0 AEAEMO C[C@H]1c2sccc2CC[N@@H+]1C 39123423 343202446 /nfs/dbraw/zinc/20/24/46/343202446.db2.gz MWVDOIYOOUPDCD-ZETCQYMHSA-N 1 1 167.277 2.297 10 0 AEAEMO Cc1cc2c(s1)CC[N@H+](C)C2 39123387 343202479 /nfs/dbraw/zinc/20/24/79/343202479.db2.gz HGHXQFRSZLKXJY-UHFFFAOYSA-N 1 1 167.277 2.044 10 0 AEAEMO Cc1cc2c(s1)C[N@@H+](C)[C@@H](C)C2 39123410 343202560 /nfs/dbraw/zinc/20/25/60/343202560.db2.gz MLGMCMWACNJKAL-ZETCQYMHSA-N 1 1 181.304 2.433 10 0 AEAEMO CCC[N@H+]1CCc2sc(N)cc2C1 39123417 343202656 /nfs/dbraw/zinc/20/26/56/343202656.db2.gz ZHTKGXHHJQKKMM-UHFFFAOYSA-N 1 1 196.319 2.098 10 0 AEAEMO Cc1[nH]c(C)c(-c2ccncc2)[nH+]1 39136849 343204500 /nfs/dbraw/zinc/20/45/00/343204500.db2.gz SARGZCKWLBIBJB-UHFFFAOYSA-N 1 1 173.219 2.089 10 0 AEAEMO C[C@@H]1CC[N@@H+](C)[C@H]2C=CC=C[C@H]12 39576132 343212889 /nfs/dbraw/zinc/21/28/89/343212889.db2.gz ZPUHWDZKMKLWRN-MXWKQRLJSA-N 1 1 163.264 2.069 10 0 AEAEMO C[C@H]1CC[N@H+](C(C)(C)C)C1 39642961 343213737 /nfs/dbraw/zinc/21/37/37/343213737.db2.gz NNOGVEWATDECCU-QMMMGPOBSA-N 1 1 141.258 2.127 10 0 AEAEMO C[C@@H]1CC[N@H+](C(C)(C)C)C1 39642960 343213785 /nfs/dbraw/zinc/21/37/85/343213785.db2.gz NNOGVEWATDECCU-MRVPVSSYSA-N 1 1 141.258 2.127 10 0 AEAEMO Cc1ccc(C)n1[C@@H]1CCC[N@H+](C)C1 40716098 343221171 /nfs/dbraw/zinc/22/11/71/343221171.db2.gz CTTQGYJIUNWMFK-GFCCVEGCSA-N 1 1 192.306 2.372 10 0 AEAEMO Cc1ccc(C)n1[C@H]1CCC[N@H+](C)C1 40716099 343221211 /nfs/dbraw/zinc/22/12/11/343221211.db2.gz CTTQGYJIUNWMFK-LBPRGKRZSA-N 1 1 192.306 2.372 10 0 AEAEMO Cc1cc([N@@H+]2CC[C@H](C)C2)ccc1N 40717707 343221593 /nfs/dbraw/zinc/22/15/93/343221593.db2.gz YGFAQCGZBNMLEE-VIFPVBQESA-N 1 1 190.290 2.423 10 0 AEAEMO Cc1cc([N@H+]2CC[C@H](C)C2)ccc1N 40717707 343221595 /nfs/dbraw/zinc/22/15/95/343221595.db2.gz YGFAQCGZBNMLEE-VIFPVBQESA-N 1 1 190.290 2.423 10 0 AEAEMO Cc1cc([N@@H+]2CC[C@@H](C)C2)ccc1N 40717709 343221717 /nfs/dbraw/zinc/22/17/17/343221717.db2.gz YGFAQCGZBNMLEE-SECBINFHSA-N 1 1 190.290 2.423 10 0 AEAEMO Cc1cc([N@H+]2CC[C@@H](C)C2)ccc1N 40717709 343221719 /nfs/dbraw/zinc/22/17/19/343221719.db2.gz YGFAQCGZBNMLEE-SECBINFHSA-N 1 1 190.290 2.423 10 0 AEAEMO C[C@H]1CC[N@@H+](Cc2ccccc2N)C1 40716909 343221918 /nfs/dbraw/zinc/22/19/18/343221918.db2.gz ZOSXWZNYSBXVEP-JTQLQIEISA-N 1 1 190.290 2.111 10 0 AEAEMO CC(C)[C@](C)(CN)[N@H+]1CCCC[C@H]1C 41042168 343226105 /nfs/dbraw/zinc/22/61/05/343226105.db2.gz DDZMWCNKLFFBAN-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[C@](C)(CN)[N@H+]1CCCC[C@@H]1C 41042169 343226384 /nfs/dbraw/zinc/22/63/84/343226384.db2.gz DDZMWCNKLFFBAN-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[C@](C)(CN)[N@H+]1CCC[C@H](C)C1 41053579 343228173 /nfs/dbraw/zinc/22/81/73/343228173.db2.gz KLAWGWLDSMLQAY-RYUDHWBXSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)[C@](C)(CN)[N@H+]1CCC[C@@H](C)C1 41053578 343228190 /nfs/dbraw/zinc/22/81/90/343228190.db2.gz KLAWGWLDSMLQAY-NEPJUHHUSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H](N)[C@@H](C)[N@@H+](C)C1CCCCCC1 41053868 343228765 /nfs/dbraw/zinc/22/87/65/343228765.db2.gz JGJFTQUZGRINMK-WDEREUQCSA-N 1 1 198.354 2.377 10 0 AEAEMO C[C@H]1CNC(C)(C)C[N@H+]1C1CCCC1 41207428 343232467 /nfs/dbraw/zinc/23/24/67/343232467.db2.gz QFLOSHFDJTXVQO-JTQLQIEISA-N 1 1 196.338 2.001 10 0 AEAEMO CC1(C)C[N@H+](C2CCCCC2)CCN1 41207429 343232641 /nfs/dbraw/zinc/23/26/41/343232641.db2.gz SAKDZDMRKCBRTO-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@H]1C 41362469 343232928 /nfs/dbraw/zinc/23/29/28/343232928.db2.gz NSGBJARPGNPRKD-SECBINFHSA-N 1 1 141.258 2.269 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@@H]1C 41362471 343233193 /nfs/dbraw/zinc/23/31/93/343233193.db2.gz NSGBJARPGNPRKD-VIFPVBQESA-N 1 1 141.258 2.269 10 0 AEAEMO CC1(Nc2[nH+]cccc2N)CCCC1 42375819 343241102 /nfs/dbraw/zinc/24/11/02/343241102.db2.gz VOUJHOHEWGFKHN-UHFFFAOYSA-N 1 1 191.278 2.408 10 0 AEAEMO CC(=O)C[N@H+](C)[C@H]1CCC[C@@H](C)C1 42493804 343244129 /nfs/dbraw/zinc/24/41/29/343244129.db2.gz DWXKOCROKBWJHF-KOLCDFICSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(=O)[C@H](C)[N@@H+](C)[C@H]1CCC[C@H](C)C1 42493797 343244139 /nfs/dbraw/zinc/24/41/39/343244139.db2.gz UNWCZNGBNRHJKW-NHCYSSNCSA-N 1 1 197.322 2.474 10 0 AEAEMO CC1CCC([N@@H+](C)CC(C)(C)O)CC1 42488025 343244334 /nfs/dbraw/zinc/24/43/34/343244334.db2.gz MKHJGCVONBKBMJ-UHFFFAOYSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(=O)C[N@H+](C)[C@H]1CCC[C@H](C)C1 42493805 343244336 /nfs/dbraw/zinc/24/43/36/343244336.db2.gz DWXKOCROKBWJHF-ONGXEEELSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 42493798 343244339 /nfs/dbraw/zinc/24/43/39/343244339.db2.gz UNWCZNGBNRHJKW-JFGNBEQYSA-N 1 1 197.322 2.474 10 0 AEAEMO CC1CCC([N@@H+](C)C(C)(C)CN)CC1 42472999 343244353 /nfs/dbraw/zinc/24/43/53/343244353.db2.gz WBLNIFKYUVGNGO-UHFFFAOYSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(=O)C[N@H+](C)[C@@H]1CCC[C@H](C)C1 42493807 343244381 /nfs/dbraw/zinc/24/43/81/343244381.db2.gz DWXKOCROKBWJHF-GXSJLCMTSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(=O)[C@H](C)[N@@H+](C)[C@H]1CCC[C@@H](C)C1 42493796 343244552 /nfs/dbraw/zinc/24/45/52/343244552.db2.gz UNWCZNGBNRHJKW-SCVCMEIPSA-N 1 1 197.322 2.474 10 0 AEAEMO CC1CCC([N@H+](C)[C@H](C)[C@@H](C)N)CC1 42487667 343244587 /nfs/dbraw/zinc/24/45/87/343244587.db2.gz RZEGXKKJDSCHMO-BFUDSRACSA-N 1 1 198.354 2.233 10 0 AEAEMO CC1CCC([N@H+](C)[C@@H](C)[C@@H](C)N)CC1 42487666 343244607 /nfs/dbraw/zinc/24/46/07/343244607.db2.gz RZEGXKKJDSCHMO-UPOSSJBDSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCC[C@H](C)C1 42493799 343244647 /nfs/dbraw/zinc/24/46/47/343244647.db2.gz UNWCZNGBNRHJKW-JBLDHEPKSA-N 1 1 197.322 2.474 10 0 AEAEMO C[C@H]1CCC[C@@H]([N@@H+](C)CC(C)(C)O)C1 42494152 343244716 /nfs/dbraw/zinc/24/47/16/343244716.db2.gz ZXIVYRYBQKNKIJ-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H]1CCC[C@H]([N@@H+](C)CC(C)(C)O)C1 42494147 343244781 /nfs/dbraw/zinc/24/47/81/343244781.db2.gz ZXIVYRYBQKNKIJ-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H]1CCC[C@@H]([N@@H+](C)CC(C)(C)O)C1 42494149 343244926 /nfs/dbraw/zinc/24/49/26/343244926.db2.gz ZXIVYRYBQKNKIJ-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO C[N@@H+](CCCCO)CC1CCCCC1 42494070 343245041 /nfs/dbraw/zinc/24/50/41/343245041.db2.gz LXWAVJVHXCOVGV-UHFFFAOYSA-N 1 1 199.338 2.271 10 0 AEAEMO CC[C@@H]1CCCC[C@H]1[N@H+]1CCC(=O)C1 42580473 343247864 /nfs/dbraw/zinc/24/78/64/343247864.db2.gz RSUOHPFDWRPFQM-ZYHUDNBSSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCC[C@@H]1C 42609162 343248269 /nfs/dbraw/zinc/24/82/69/343248269.db2.gz QMOUUCLEBOZQOB-NHCYSSNCSA-N 1 1 197.322 2.474 10 0 AEAEMO CC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCC[C@H]1C 42609161 343248361 /nfs/dbraw/zinc/24/83/61/343248361.db2.gz QMOUUCLEBOZQOB-SCVCMEIPSA-N 1 1 197.322 2.474 10 0 AEAEMO CC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCC[C@H]1C 42609163 343248468 /nfs/dbraw/zinc/24/84/68/343248468.db2.gz QMOUUCLEBOZQOB-JFGNBEQYSA-N 1 1 197.322 2.474 10 0 AEAEMO C[C@H]1CCCC[C@H]1[N@@H+](C)CC(C)(C)O 42609658 343248480 /nfs/dbraw/zinc/24/84/80/343248480.db2.gz MYFYSUPDAYFANX-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CC(C)(C)O 42609656 343248523 /nfs/dbraw/zinc/24/85/23/343248523.db2.gz MYFYSUPDAYFANX-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H]1CCCC[C@H]1[N@@H+](C)C(C)(C)CN 42606924 343248585 /nfs/dbraw/zinc/24/85/85/343248585.db2.gz BUBKGVPYFXDTEG-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CC(C)(C)N 42611031 343248644 /nfs/dbraw/zinc/24/86/44/343248644.db2.gz IHVIOCCASACVFU-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]([N@H+](C)C1CCNCC1)C(C)(C)C 42768025 343248907 /nfs/dbraw/zinc/24/89/07/343248907.db2.gz UQXLDEVIRBFRQB-JTQLQIEISA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@H]([N@@H+](C)[C@@H]1CCCC1=O)C(C)(C)C 42774151 343249241 /nfs/dbraw/zinc/24/92/41/343249241.db2.gz DKVJHDHOWCGZJM-VHSXEESVSA-N 1 1 197.322 2.474 10 0 AEAEMO C[C@H]1CCCC[C@H]1C[N@@H+]1CCC(=O)C1 42863760 343250111 /nfs/dbraw/zinc/25/01/11/343250111.db2.gz TVUFHTAHWSMMBC-QWRGUYRKSA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@H]1CCCC[C@H]1C[N@H+]1CCC(=O)C1 42863760 343250113 /nfs/dbraw/zinc/25/01/13/343250113.db2.gz TVUFHTAHWSMMBC-QWRGUYRKSA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC(=O)C1 42863752 343250174 /nfs/dbraw/zinc/25/01/74/343250174.db2.gz TVUFHTAHWSMMBC-GHMZBOCLSA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC(=O)C1 42863757 343250189 /nfs/dbraw/zinc/25/01/89/343250189.db2.gz TVUFHTAHWSMMBC-MNOVXSKESA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@@H]1CCCC[C@H]1C[N@H+]1CCC(=O)C1 42863757 343250191 /nfs/dbraw/zinc/25/01/91/343250191.db2.gz TVUFHTAHWSMMBC-MNOVXSKESA-N 1 1 195.306 2.088 10 0 AEAEMO Cc1ccsc1[C@H]([C@@H](C)N)[NH+](C)C 43247506 343250902 /nfs/dbraw/zinc/25/09/02/343250902.db2.gz YKVGEDYGVNLHBL-BDAKNGLRSA-N 1 1 198.335 2.006 10 0 AEAEMO CC(C)(C)CC(C)(C)[N@H+]1CCC(=O)C1 43435666 343252201 /nfs/dbraw/zinc/25/22/01/343252201.db2.gz JYIQHEPBKHDDBG-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(C)Sc1cc(N)cc[nH+]1 43569741 343255973 /nfs/dbraw/zinc/25/59/73/343255973.db2.gz FISORKQVGJEFAI-UHFFFAOYSA-N 1 1 168.265 2.164 10 0 AEAEMO CC[C@@H]([NH3+])c1nc2cccc(C)c2[nH]1 43598518 343256296 /nfs/dbraw/zinc/25/62/96/343256296.db2.gz UEIIBGFKJFPWHB-MRVPVSSYSA-N 1 1 189.262 2.281 10 0 AEAEMO Cc1cccc2nc(C(C)(C)[NH3+])[nH]c12 43601518 343256471 /nfs/dbraw/zinc/25/64/71/343256471.db2.gz AHTISDIGKFLJRY-UHFFFAOYSA-N 1 1 189.262 2.065 10 0 AEAEMO Cc1ccc([C@@H]([NH3+])c2ccoc2)o1 43609885 343256519 /nfs/dbraw/zinc/25/65/19/343256519.db2.gz ZXDRKIQXCDBRAX-JTQLQIEISA-N 1 1 177.203 2.229 10 0 AEAEMO Cc1ccc([C@H]([NH3+])c2ccoc2)o1 43609882 343256620 /nfs/dbraw/zinc/25/66/20/343256620.db2.gz ZXDRKIQXCDBRAX-SNVBAGLBSA-N 1 1 177.203 2.229 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@@H]1NC 43904026 343260074 /nfs/dbraw/zinc/26/00/74/343260074.db2.gz SDTMFIQCQTYDFJ-GRYCIOLGSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@H]1CC[C@H](O)[C@H]([N@@H+](C)C(C)C)C1 44119256 343260237 /nfs/dbraw/zinc/26/02/37/343260237.db2.gz XYFIRVMFOONGFM-UTUOFQBUSA-N 1 1 199.338 2.266 10 0 AEAEMO CC[C@@H]1CC[C@@H](O)[C@H]([N@@H+](C)C(C)C)C1 44119263 343260383 /nfs/dbraw/zinc/26/03/83/343260383.db2.gz XYFIRVMFOONGFM-IJLUTSLNSA-N 1 1 199.338 2.266 10 0 AEAEMO CC(C)[N@@H+](C)[C@@H]1CCCCC[C@@H]1O 44118972 343260536 /nfs/dbraw/zinc/26/05/36/343260536.db2.gz AXMREMDTGHAAHI-MNOVXSKESA-N 1 1 185.311 2.020 10 0 AEAEMO CC(C)[N@@H+](C)[C@H]1CCCCCC[C@@H]1O 44119037 343260539 /nfs/dbraw/zinc/26/05/39/343260539.db2.gz QUAURYPLTWBLPV-RYUDHWBXSA-N 1 1 199.338 2.410 10 0 AEAEMO CC(C)[N@@H+](C)[C@@H]1CCCCCC[C@@H]1O 44119033 343260592 /nfs/dbraw/zinc/26/05/92/343260592.db2.gz QUAURYPLTWBLPV-NEPJUHHUSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@H+]1CCCC[C@@H]1C 44116244 343260596 /nfs/dbraw/zinc/26/05/96/343260596.db2.gz FJNPGBXWQSRVRF-DCAQKATOSA-N 1 1 185.311 2.020 10 0 AEAEMO CC(C)[N@@H+](C)[C@H]1CCCCC[C@@H]1O 44118976 343260599 /nfs/dbraw/zinc/26/05/99/343260599.db2.gz AXMREMDTGHAAHI-QWRGUYRKSA-N 1 1 185.311 2.020 10 0 AEAEMO CC(C)C[N@@H+](C)[C@@H]1C[C@@H](C)CC[C@H]1O 44129570 343260742 /nfs/dbraw/zinc/26/07/42/343260742.db2.gz AQSVRXLJOPQPCT-QJPTWQEYSA-N 1 1 199.338 2.124 10 0 AEAEMO CCC[N@@H+](C)[C@H]1CCCCCC[C@@H]1O 44127443 343260777 /nfs/dbraw/zinc/26/07/77/343260777.db2.gz LKHGHQCCHIVPDG-RYUDHWBXSA-N 1 1 199.338 2.412 10 0 AEAEMO C[C@H](O)[C@@H](C)[N@@H+](C)C1CCCCC1 44121008 343260830 /nfs/dbraw/zinc/26/08/30/343260830.db2.gz ASQLDRYSGDZWFV-ZJUUUORDSA-N 1 1 185.311 2.020 10 0 AEAEMO CC(C)C[N@@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1O 44129561 343260876 /nfs/dbraw/zinc/26/08/76/343260876.db2.gz AQSVRXLJOPQPCT-UTUOFQBUSA-N 1 1 199.338 2.124 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@H]1CCCCC[C@@H]1O 44126260 343260896 /nfs/dbraw/zinc/26/08/96/343260896.db2.gz ZFGMLOANPXQJQQ-TUAOUCFPSA-N 1 1 199.338 2.410 10 0 AEAEMO CC(C)C[N@@H+](C)[C@@H]1C[C@H](C)CC[C@H]1O 44129567 343260930 /nfs/dbraw/zinc/26/09/30/343260930.db2.gz AQSVRXLJOPQPCT-IJLUTSLNSA-N 1 1 199.338 2.124 10 0 AEAEMO CCC[N@@H+](C)[C@H]1CCCCC[C@@H]1O 44127413 343260942 /nfs/dbraw/zinc/26/09/42/343260942.db2.gz UVRJRNJXCWARIE-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO C[C@H](O)[C@H](C)[N@@H+](C)C1CCCCC1 44121004 343260951 /nfs/dbraw/zinc/26/09/51/343260951.db2.gz ASQLDRYSGDZWFV-UWVGGRQHSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[N@@H+](C(C)C)[C@@H]1C[C@H](C)CC[C@@H]1O 44128177 343260980 /nfs/dbraw/zinc/26/09/80/343260980.db2.gz MYISEDQUOLWHGW-UTUOFQBUSA-N 1 1 199.338 2.266 10 0 AEAEMO CCC[N@@H+](C)[C@@H]1CCCCC[C@@H]1O 44127411 343261022 /nfs/dbraw/zinc/26/10/22/343261022.db2.gz UVRJRNJXCWARIE-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO C[N@@H+](CC1CC1)[C@H]1CCCCC[C@@H]1O 44161547 343261381 /nfs/dbraw/zinc/26/13/81/343261381.db2.gz QVWWUHHADLXLTK-RYUDHWBXSA-N 1 1 197.322 2.022 10 0 AEAEMO CC1CCC([N@H+](C)[C@H](C)[C@@H](C)O)CC1 44178091 343261502 /nfs/dbraw/zinc/26/15/02/343261502.db2.gz BIPMVVVHBVCSQL-BFUDSRACSA-N 1 1 199.338 2.266 10 0 AEAEMO CC1CCC([N@H+](C)[C@@H](C)[C@@H](C)O)CC1 44178089 343261513 /nfs/dbraw/zinc/26/15/13/343261513.db2.gz BIPMVVVHBVCSQL-LVFLEHKBSA-N 1 1 199.338 2.266 10 0 AEAEMO Cc1[nH+]ccn1[C@H]1CCCCC[C@@H]1O 44181076 343261701 /nfs/dbraw/zinc/26/17/01/343261701.db2.gz JIZKDLIIPSLIMW-QWRGUYRKSA-N 1 1 194.278 2.058 10 0 AEAEMO Cc1[nH+]ccn1[C@@H]1CCCCC[C@@H]1O 44181074 343261706 /nfs/dbraw/zinc/26/17/06/343261706.db2.gz JIZKDLIIPSLIMW-MNOVXSKESA-N 1 1 194.278 2.058 10 0 AEAEMO Cc1[nH+]ccn1[C@H]1CCCCC[C@H]1O 44181080 343261801 /nfs/dbraw/zinc/26/18/01/343261801.db2.gz JIZKDLIIPSLIMW-WDEREUQCSA-N 1 1 194.278 2.058 10 0 AEAEMO CC(C)c1nc([C@H]([NH3+])C(C)(C)C)no1 44376436 343264655 /nfs/dbraw/zinc/26/46/55/343264655.db2.gz PQELZDILOQODPI-ZETCQYMHSA-N 1 1 197.282 2.239 10 0 AEAEMO CC(C)c1nc([C@@H]([NH3+])C(C)(C)C)no1 44376441 343264720 /nfs/dbraw/zinc/26/47/20/343264720.db2.gz PQELZDILOQODPI-SSDOTTSWSA-N 1 1 197.282 2.239 10 0 AEAEMO C[C@H]([N@@H+](C)[C@@H]1CCC[C@@H]1O)C(C)(C)C 44415840 343265457 /nfs/dbraw/zinc/26/54/57/343265457.db2.gz PGYHFZLKJUSZGC-AXFHLTTASA-N 1 1 199.338 2.266 10 0 AEAEMO CN(C)c1[nH+]cccc1NC1CCC1 44481192 343266784 /nfs/dbraw/zinc/26/67/84/343266784.db2.gz JOJUUGPSOKDQKJ-UHFFFAOYSA-N 1 1 191.278 2.112 10 0 AEAEMO COc1[nH+]c(C)cc2[nH]c(C)cc12 44713289 343268626 /nfs/dbraw/zinc/26/86/26/343268626.db2.gz CRRXKFPBLJZKBS-UHFFFAOYSA-N 1 1 176.219 2.188 10 0 AEAEMO CC[C@H](C)Oc1ccc(C)[nH+]c1N 50440946 343283165 /nfs/dbraw/zinc/28/31/65/343283165.db2.gz UDGSQTXMQTWEQC-QMMMGPOBSA-N 1 1 180.251 2.150 10 0 AEAEMO CC[C@](C)(CN)[N@H+]1CCC[C@H](C)[C@@H]1C 50563963 343284536 /nfs/dbraw/zinc/28/45/36/343284536.db2.gz VORNBBYYNBJGCE-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(=O)[C@H](C)[N@H+]1CCC[C@@H](C)[C@H]1C 50565903 343284828 /nfs/dbraw/zinc/28/48/28/343284828.db2.gz HKBXDGCFZKDCOE-BBBLOLIVSA-N 1 1 183.295 2.084 10 0 AEAEMO CCC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1C 50565881 343284853 /nfs/dbraw/zinc/28/48/53/343284853.db2.gz YNYJBIHOTWWNHZ-UWVGGRQHSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1C 50565882 343284867 /nfs/dbraw/zinc/28/48/67/343284867.db2.gz YNYJBIHOTWWNHZ-ZJUUUORDSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(=O)[C@H](C)[N@H+]1CCC[C@H](C)[C@H]1C 50565904 343284971 /nfs/dbraw/zinc/28/49/71/343284971.db2.gz HKBXDGCFZKDCOE-AEJSXWLSSA-N 1 1 183.295 2.084 10 0 AEAEMO C[C@H]1CCC[N@@H+](CC(C)(C)CO)[C@@H]1C 51293863 343289540 /nfs/dbraw/zinc/28/95/40/343289540.db2.gz VTNWUNYFCLONMW-WDEREUQCSA-N 1 1 199.338 2.125 10 0 AEAEMO CCc1ccc([C@@H]2[NH2+]CCS2)o1 51722998 343292148 /nfs/dbraw/zinc/29/21/48/343292148.db2.gz SZNABGQIFNWNDV-SECBINFHSA-N 1 1 183.276 2.177 10 0 AEAEMO CCC(=O)C[N@H+]1CC[C@H](C)C[C@@H]1C 51733725 343292458 /nfs/dbraw/zinc/29/24/58/343292458.db2.gz IQVWPYAIPKAFSK-UWVGGRQHSA-N 1 1 183.295 2.086 10 0 AEAEMO C[C@H]1CC[N@H+](CC(C)(C)CN)[C@H](C)C1 51748479 343292553 /nfs/dbraw/zinc/29/25/53/343292553.db2.gz MXKCWCGOIMOZLA-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CC[N@@H+](CC(C)(C)CN)[C@H](C)C1 51748479 343292555 /nfs/dbraw/zinc/29/25/55/343292555.db2.gz MXKCWCGOIMOZLA-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)[C@@H](N)C[N@H+]1CC[C@@H](C)C[C@H]1C 51746858 343292605 /nfs/dbraw/zinc/29/26/05/343292605.db2.gz AGJOKMIABWPYPR-UTUOFQBUSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@@H]([NH3+])CN1CC[C@@H](C)C[C@H]1C 51746858 343292607 /nfs/dbraw/zinc/29/26/07/343292607.db2.gz AGJOKMIABWPYPR-UTUOFQBUSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(=O)[C@H](C)[N@H+]1CC[C@@H](C)C[C@H]1C 51733826 343292641 /nfs/dbraw/zinc/29/26/41/343292641.db2.gz GZGPKWXYLMGWHP-BBBLOLIVSA-N 1 1 183.295 2.084 10 0 AEAEMO CCC(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1C 51733727 343292663 /nfs/dbraw/zinc/29/26/63/343292663.db2.gz IQVWPYAIPKAFSK-ZJUUUORDSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)[C@H](CN)[N@H+]1CC[C@@H](C)C[C@H]1C 51730499 343292800 /nfs/dbraw/zinc/29/28/00/343292800.db2.gz VLSRKEYRSMDJTL-UTUOFQBUSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H]1CC[N@@H+](CC(C)(C)CO)[C@H](C)C1 51748667 343292803 /nfs/dbraw/zinc/29/28/03/343292803.db2.gz XVHAIBJZTAVHMH-WDEREUQCSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@@H]1CC[N@@H+](CC(C)(C)CO)[C@H](C)C1 51748665 343292861 /nfs/dbraw/zinc/29/28/61/343292861.db2.gz XVHAIBJZTAVHMH-GHMZBOCLSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(=O)[C@H](C)[N@H+]1CC[C@H](C)C[C@H]1C 51733828 343292873 /nfs/dbraw/zinc/29/28/73/343292873.db2.gz GZGPKWXYLMGWHP-AEJSXWLSSA-N 1 1 183.295 2.084 10 0 AEAEMO CC[C@](C)(CN)[N@H+]1CC[C@H](C)C[C@@H]1C 51730582 343292925 /nfs/dbraw/zinc/29/29/25/343292925.db2.gz YITYNKAGYCUMLM-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO CCc1ccccc1C(=[NH2+])OC 52201276 343301841 /nfs/dbraw/zinc/30/18/41/343301841.db2.gz QOKQNDDPWRUEPR-UHFFFAOYSA-N 1 1 163.220 2.221 10 0 AEAEMO Cc1ccc[nH+]c1NC1CCC1 52211308 343302072 /nfs/dbraw/zinc/30/20/72/343302072.db2.gz YHLSTZPYKUECEN-UHFFFAOYSA-N 1 1 162.236 2.354 10 0 AEAEMO Cc1cc[nH+]c(N[C@H]2C[C@@H]2C)c1 52290734 343304491 /nfs/dbraw/zinc/30/44/91/343304491.db2.gz MTYRULZLTPLPBA-IUCAKERBSA-N 1 1 162.236 2.210 10 0 AEAEMO Cc1ccc[nH+]c1N[C@H]1C[C@@H]1C 52290312 343304499 /nfs/dbraw/zinc/30/44/99/343304499.db2.gz YRSZWTRIPHTTON-IUCAKERBSA-N 1 1 162.236 2.210 10 0 AEAEMO Cc1ccc[nH+]c1N[C@H]1C[C@H]1C 52290317 343304525 /nfs/dbraw/zinc/30/45/25/343304525.db2.gz YRSZWTRIPHTTON-BDAKNGLRSA-N 1 1 162.236 2.210 10 0 AEAEMO Cc1cc[nH+]c(N[C@@H]2C[C@H]2C)c1 52290737 343304587 /nfs/dbraw/zinc/30/45/87/343304587.db2.gz MTYRULZLTPLPBA-RKDXNWHRSA-N 1 1 162.236 2.210 10 0 AEAEMO Cc1cc[nH+]c(N[C@H]2C[C@H]2C)c1 52290740 343304597 /nfs/dbraw/zinc/30/45/97/343304597.db2.gz MTYRULZLTPLPBA-BDAKNGLRSA-N 1 1 162.236 2.210 10 0 AEAEMO Cc1cccc(N[C@H]2C[C@@H]2C)[nH+]1 52290116 343304679 /nfs/dbraw/zinc/30/46/79/343304679.db2.gz BQVUBMZRQZBSGJ-CBAPKCEASA-N 1 1 162.236 2.210 10 0 AEAEMO Cc1ccc[nH+]c1N[C@@H]1C[C@@H]1C 52290309 343304708 /nfs/dbraw/zinc/30/47/08/343304708.db2.gz YRSZWTRIPHTTON-DTWKUNHWSA-N 1 1 162.236 2.210 10 0 AEAEMO Cc1ccc(N[C@@H]2C[C@@H]2C)[nH+]c1 52291868 343304936 /nfs/dbraw/zinc/30/49/36/343304936.db2.gz MNOHRFDMKUGHFA-DTWKUNHWSA-N 1 1 162.236 2.210 10 0 AEAEMO Cc1ccc(N[C@H]2C[C@@H]2C)[nH+]c1 52291871 343304980 /nfs/dbraw/zinc/30/49/80/343304980.db2.gz MNOHRFDMKUGHFA-IUCAKERBSA-N 1 1 162.236 2.210 10 0 AEAEMO Cc1ccc(N[C@H]2C[C@H]2C)[nH+]c1 52291877 343305010 /nfs/dbraw/zinc/30/50/10/343305010.db2.gz MNOHRFDMKUGHFA-BDAKNGLRSA-N 1 1 162.236 2.210 10 0 AEAEMO CC(C)CC[N@H+]1CCC[C@@H]1CCCO 52761774 343306879 /nfs/dbraw/zinc/30/68/79/343306879.db2.gz RHFROAXCMKVSNB-GFCCVEGCSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)=CC[N@H+]1CCC[C@H]1CCCO 52762748 343306900 /nfs/dbraw/zinc/30/69/00/343306900.db2.gz CFTNNILRVDCRQU-LBPRGKRZSA-N 1 1 197.322 2.190 10 0 AEAEMO CCCCC[N@H+]1CCC[C@H]1CCCO 52761809 343306986 /nfs/dbraw/zinc/30/69/86/343306986.db2.gz HTUDWAMULASBRK-LBPRGKRZSA-N 1 1 199.338 2.414 10 0 AEAEMO CC(C)CC[N@H+]1CCC[C@H]1CCCO 52761775 343307099 /nfs/dbraw/zinc/30/70/99/343307099.db2.gz RHFROAXCMKVSNB-LBPRGKRZSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)=CC[N@H+]1CCC[C@@H]1CCCO 52762747 343307101 /nfs/dbraw/zinc/30/71/01/343307101.db2.gz CFTNNILRVDCRQU-GFCCVEGCSA-N 1 1 197.322 2.190 10 0 AEAEMO CC[C@H](C)N(C)c1[nH+]cc(N)cc1C 52812615 343307301 /nfs/dbraw/zinc/30/73/01/343307301.db2.gz AAAYVMCPFSXBED-VIFPVBQESA-N 1 1 193.294 2.207 10 0 AEAEMO C[C@H]1C[C@@H]1n1c[nH+]c2cc(N)ccc21 52853489 343311108 /nfs/dbraw/zinc/31/11/08/343311108.db2.gz OBOSGLDTTHFLNI-CPCISQLKSA-N 1 1 187.246 2.199 10 0 AEAEMO CC(C)[N@@H+](C)C[C@H]1C[C@H](C)CCC1=O 53925310 343316846 /nfs/dbraw/zinc/31/68/46/343316846.db2.gz GFRNLQFZVPOSBB-GHMZBOCLSA-N 1 1 197.322 2.332 10 0 AEAEMO C[N@@H+](C[C@H]1CCCC1=O)C1CCCC1 53926499 343316891 /nfs/dbraw/zinc/31/68/91/343316891.db2.gz BXMJQLGKCSIIKH-SNVBAGLBSA-N 1 1 195.306 2.230 10 0 AEAEMO C[N@@H+](C[C@@H]1CCCC1=O)C1CCCC1 53926497 343316899 /nfs/dbraw/zinc/31/68/99/343316899.db2.gz BXMJQLGKCSIIKH-JTQLQIEISA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@@H]1CCC(=O)[C@H](C[N@@H+](C)C2CC2)C1 53926336 343316915 /nfs/dbraw/zinc/31/69/15/343316915.db2.gz PZVKGKRHOPUNOC-ZJUUUORDSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1C[C@@H]1CCCC1=O 53924569 343316963 /nfs/dbraw/zinc/31/69/63/343316963.db2.gz XWYGWXVVUIEHQH-WDEREUQCSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@H]1CCC(=O)[C@H](C[N@@H+](C)C2CC2)C1 53926338 343316980 /nfs/dbraw/zinc/31/69/80/343316980.db2.gz PZVKGKRHOPUNOC-UWVGGRQHSA-N 1 1 195.306 2.086 10 0 AEAEMO C[N@@H+](C[C@@H]1CCCCCC1=O)C1CC1 53926371 343316985 /nfs/dbraw/zinc/31/69/85/343316985.db2.gz XMNSWHSSMWAWJK-JTQLQIEISA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@@H]1CCC(=O)[C@@H](C[N@@H+](C)C2CC2)C1 53926340 343316999 /nfs/dbraw/zinc/31/69/99/343316999.db2.gz PZVKGKRHOPUNOC-NXEZZACHSA-N 1 1 195.306 2.086 10 0 AEAEMO CC(C)[N@@H+](C)C[C@H]1CCCCCC1=O 53925339 343317008 /nfs/dbraw/zinc/31/70/08/343317008.db2.gz OSJSQWQYGVKSFX-LLVKDONJSA-N 1 1 197.322 2.476 10 0 AEAEMO C[C@H]1CCC[N@@H+](C[C@@H]2CCCC2=O)C1 53925186 343317020 /nfs/dbraw/zinc/31/70/20/343317020.db2.gz NMIBDQSLLQRDIY-QWRGUYRKSA-N 1 1 195.306 2.088 10 0 AEAEMO CC(C)[N@@H+](C)C[C@@H]1C[C@H](C)CCC1=O 53925307 343317023 /nfs/dbraw/zinc/31/70/23/343317023.db2.gz GFRNLQFZVPOSBB-MNOVXSKESA-N 1 1 197.322 2.332 10 0 AEAEMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCC1=O 53925026 343317026 /nfs/dbraw/zinc/31/70/26/343317026.db2.gz HUDFGMXMIDZVNK-QWRGUYRKSA-N 1 1 195.306 2.230 10 0 AEAEMO C[N@@H+](C[C@H]1CCCCCC1=O)C1CC1 53926373 343317077 /nfs/dbraw/zinc/31/70/77/343317077.db2.gz XMNSWHSSMWAWJK-SNVBAGLBSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)[N@@H+](C)C[C@@H]1CCCCCC1=O 53925337 343317092 /nfs/dbraw/zinc/31/70/92/343317092.db2.gz OSJSQWQYGVKSFX-NSHDSACASA-N 1 1 197.322 2.476 10 0 AEAEMO C[C@@H]1CCC[N@@H+](C[C@@H]2CCCC2=O)C1 53925185 343317131 /nfs/dbraw/zinc/31/71/31/343317131.db2.gz NMIBDQSLLQRDIY-MNOVXSKESA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCC1=O 53925024 343317193 /nfs/dbraw/zinc/31/71/93/343317193.db2.gz HUDFGMXMIDZVNK-MNOVXSKESA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@H]1CCC(=O)[C@@H](C[N@@H+](C)C2CC2)C1 53926342 343317208 /nfs/dbraw/zinc/31/72/08/343317208.db2.gz PZVKGKRHOPUNOC-VHSXEESVSA-N 1 1 195.306 2.086 10 0 AEAEMO CC(C)[N@@H+](C)C[C@@H]1C[C@@H](C)CCC1=O 53925309 343317220 /nfs/dbraw/zinc/31/72/20/343317220.db2.gz GFRNLQFZVPOSBB-QWRGUYRKSA-N 1 1 197.322 2.332 10 0 AEAEMO CC(C)[N@@H+](C)C[C@H]1C[C@@H](C)CCC1=O 53925312 343317225 /nfs/dbraw/zinc/31/72/25/343317225.db2.gz GFRNLQFZVPOSBB-WDEREUQCSA-N 1 1 197.322 2.332 10 0 AEAEMO C[C@H]([NH2+]Cc1ccn[nH]1)C1CCCC1 54081086 343317617 /nfs/dbraw/zinc/31/76/17/343317617.db2.gz SDTSWJLTHYEHQQ-VIFPVBQESA-N 1 1 193.294 2.078 10 0 AEAEMO CC(C)[C@H](C)[N@H+](C)[C@@H]1CCCCNC1 54135085 343317797 /nfs/dbraw/zinc/31/77/97/343317797.db2.gz XSFODNWUUZXOLT-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)[C@@H]1CCCCNC1 54135085 343317799 /nfs/dbraw/zinc/31/77/99/343317799.db2.gz XSFODNWUUZXOLT-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO C[N@H+](C1CCCC1)[C@H]1CCCCNC1 54134986 343317862 /nfs/dbraw/zinc/31/78/62/343317862.db2.gz HHCFWGSQAFKDDW-LBPRGKRZSA-N 1 1 196.338 2.003 10 0 AEAEMO C[N@@H+](C1CCCC1)[C@H]1CCCCNC1 54134986 343317865 /nfs/dbraw/zinc/31/78/65/343317865.db2.gz HHCFWGSQAFKDDW-LBPRGKRZSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@@H]1CCC[N@@H+]1[C@@H]1CCCCNC1 54134818 343317990 /nfs/dbraw/zinc/31/79/90/343317990.db2.gz HFRJOUYATKYJRV-VXGBXAGGSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@@H]1CCCCNC1 54134818 343317991 /nfs/dbraw/zinc/31/79/91/343317991.db2.gz HFRJOUYATKYJRV-VXGBXAGGSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@H]1C[C@@H]([N@@H+](C)CCN)CC(C)(C)C1 54417020 343323866 /nfs/dbraw/zinc/32/38/66/343323866.db2.gz NOJHPZYAIYTMNO-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1C[C@H]([N@@H+](C)CCN)CC(C)(C)C1 54417018 343323853 /nfs/dbraw/zinc/32/38/53/343323853.db2.gz NOJHPZYAIYTMNO-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1C[C@H](N(C)CC[NH3+])CC(C)(C)C1 54417018 343323855 /nfs/dbraw/zinc/32/38/55/343323855.db2.gz NOJHPZYAIYTMNO-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)CNc1ccc(N)[nH+]c1 54466728 343324548 /nfs/dbraw/zinc/32/45/48/343324548.db2.gz HFYLABNMPKLIAK-QMMMGPOBSA-N 1 1 179.267 2.122 10 0 AEAEMO CCC[NH2+]C1C[C@@H]2CCC[C@H](C1)N2C 54601577 343326971 /nfs/dbraw/zinc/32/69/71/343326971.db2.gz IYDOQXJPVAKHRF-YOGCLGLASA-N 1 1 196.338 2.001 10 0 AEAEMO CC1CCC([NH2+]Cc2c[nH]cn2)CC1 54763244 343328544 /nfs/dbraw/zinc/32/85/44/343328544.db2.gz GSLZNRNRULFTJR-UHFFFAOYSA-N 1 1 193.294 2.078 10 0 AEAEMO Cc1nc(C[NH2+]C2CCCCC2)c[nH]1 54797696 343329049 /nfs/dbraw/zinc/32/90/49/343329049.db2.gz SPPIGKALQPENNB-UHFFFAOYSA-N 1 1 193.294 2.140 10 0 AEAEMO Cc1nc(C[NH2+]C2(C)CCCC2)c[nH]1 54822460 343329259 /nfs/dbraw/zinc/32/92/59/343329259.db2.gz KYXRSDUCDOUXAY-UHFFFAOYSA-N 1 1 193.294 2.140 10 0 AEAEMO Cc1cc(N)ccc1[N@@H+](C)C(C)C 57381058 343336915 /nfs/dbraw/zinc/33/69/15/343336915.db2.gz DLILQXGLJPSDEN-UHFFFAOYSA-N 1 1 178.279 2.422 10 0 AEAEMO Cc1cc(N)ccc1[N@H+](C)C(C)C 57381058 343336919 /nfs/dbraw/zinc/33/69/19/343336919.db2.gz DLILQXGLJPSDEN-UHFFFAOYSA-N 1 1 178.279 2.422 10 0 AEAEMO Cc1cc([N@@H+](C)C(C)C)ccc1N 57454344 343337809 /nfs/dbraw/zinc/33/78/09/343337809.db2.gz LYZABXVAVHFDNV-UHFFFAOYSA-N 1 1 178.279 2.422 10 0 AEAEMO Cc1cc([N@H+](C)C(C)C)ccc1N 57454344 343337812 /nfs/dbraw/zinc/33/78/12/343337812.db2.gz LYZABXVAVHFDNV-UHFFFAOYSA-N 1 1 178.279 2.422 10 0 AEAEMO Cc1cc(N)ccc1[N@@H+](C)CC1CC1 58013639 343338503 /nfs/dbraw/zinc/33/85/03/343338503.db2.gz SFFYJFGVQFMJDG-UHFFFAOYSA-N 1 1 190.290 2.423 10 0 AEAEMO NC[C@H]1CCC[N@H+]1C1CCCCCC1 59341185 343343938 /nfs/dbraw/zinc/34/39/38/343343938.db2.gz ZKPMZNKACNAILK-GFCCVEGCSA-N 1 1 196.338 2.132 10 0 AEAEMO COc1ccc([C@@H]2CC[N@@H+](C)C2)cc1 60313500 343353236 /nfs/dbraw/zinc/35/32/36/343353236.db2.gz PIUULGWTMFCRSA-LLVKDONJSA-N 1 1 191.274 2.114 10 0 AEAEMO COc1ccc([C@H]2CC[N@@H+](C)C2)cc1 60313499 343353425 /nfs/dbraw/zinc/35/34/25/343353425.db2.gz PIUULGWTMFCRSA-NSHDSACASA-N 1 1 191.274 2.114 10 0 AEAEMO CC(C)[N@@H+](C)C[C@H]1CCCCC1=O 60719912 343354415 /nfs/dbraw/zinc/35/44/15/343354415.db2.gz FTIUKMYFTJAOGT-SNVBAGLBSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)[N@@H+](C)C[C@@H]1CCCCC1=O 60719910 343354464 /nfs/dbraw/zinc/35/44/64/343354464.db2.gz FTIUKMYFTJAOGT-JTQLQIEISA-N 1 1 183.295 2.086 10 0 AEAEMO C[C@H]1CCC[N@H+]1C[C@@H]1CCCCC1=O 60719839 343354505 /nfs/dbraw/zinc/35/45/05/343354505.db2.gz TZUYPMSQHMXKFF-QWRGUYRKSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@@H]1CCC[N@H+]1C[C@@H]1CCCCC1=O 60719834 343354527 /nfs/dbraw/zinc/35/45/27/343354527.db2.gz TZUYPMSQHMXKFF-MNOVXSKESA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@@H]1CC[N@@H+](C[C@@H]2CCCCC2=O)C1 60720268 343354619 /nfs/dbraw/zinc/35/46/19/343354619.db2.gz RHXWTTBXBGVUNV-MNOVXSKESA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@H]1CC[N@@H+](C[C@@H]2CCCCC2=O)C1 60720269 343354653 /nfs/dbraw/zinc/35/46/53/343354653.db2.gz RHXWTTBXBGVUNV-QWRGUYRKSA-N 1 1 195.306 2.088 10 0 AEAEMO CNC(C)(C)C[N@@H+]1CC[C@@H](C)C[C@H]1C 61319833 343356041 /nfs/dbraw/zinc/35/60/41/343356041.db2.gz MKHSSHZCFTWQJL-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CNC(C)(C)C[N@H+]1CC[C@@H](C)C[C@H]1C 61319833 343356042 /nfs/dbraw/zinc/35/60/42/343356042.db2.gz MKHSSHZCFTWQJL-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CNC(C)(C)C[N@@H+]1CC[C@H](C)C[C@H]1C 61319834 343356054 /nfs/dbraw/zinc/35/60/54/343356054.db2.gz MKHSSHZCFTWQJL-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CNC(C)(C)C[N@H+]1CC[C@H](C)C[C@H]1C 61319834 343356056 /nfs/dbraw/zinc/35/60/56/343356056.db2.gz MKHSSHZCFTWQJL-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CNC(C)(C)C[NH+]1CCCCCCC1 61319523 343356118 /nfs/dbraw/zinc/35/61/18/343356118.db2.gz NXWFWTVMMKEJLP-UHFFFAOYSA-N 1 1 198.354 2.251 10 0 AEAEMO CNC(C)(C)C[N@@H+]1[C@@H](C)CCC[C@H]1C 61319505 343356130 /nfs/dbraw/zinc/35/61/30/343356130.db2.gz COUUXLBURDYGMB-PHIMTYICSA-N 1 1 198.354 2.247 10 0 AEAEMO CNC(C)(C)C[N@H+]1[C@@H](C)CCC[C@H]1C 61319505 343356131 /nfs/dbraw/zinc/35/61/31/343356131.db2.gz COUUXLBURDYGMB-PHIMTYICSA-N 1 1 198.354 2.247 10 0 AEAEMO CNC(C)(C)C[NH+]1[C@H](C)CCC[C@H]1C 61319507 343356135 /nfs/dbraw/zinc/35/61/35/343356135.db2.gz COUUXLBURDYGMB-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO CNC(C)(C)C[NH+]1[C@@H](C)CCC[C@@H]1C 61319506 343356371 /nfs/dbraw/zinc/35/63/71/343356371.db2.gz COUUXLBURDYGMB-QWRGUYRKSA-N 1 1 198.354 2.247 10 0 AEAEMO COC(=[NH2+])Cc1ccc(C)c(C)c1 61681747 343360253 /nfs/dbraw/zinc/36/02/53/343360253.db2.gz MHHNZHMGGXFEBM-UHFFFAOYSA-N 1 1 177.247 2.470 10 0 AEAEMO CCc1ccc2nc([C@H](C)[NH3+])[nH]c2c1 62152787 343372320 /nfs/dbraw/zinc/37/23/20/343372320.db2.gz SIPYMDYEOWASJD-ZETCQYMHSA-N 1 1 189.262 2.145 10 0 AEAEMO CCc1ccc2nc([C@@H](C)[NH3+])[nH]c2c1 62152786 343372467 /nfs/dbraw/zinc/37/24/67/343372467.db2.gz SIPYMDYEOWASJD-SSDOTTSWSA-N 1 1 189.262 2.145 10 0 AEAEMO Cc1cc(Cl)cc2nc(C[NH3+])oc12 62522167 343374183 /nfs/dbraw/zinc/37/41/83/343374183.db2.gz MIIBAJKXHDKXNW-UHFFFAOYSA-N 1 1 196.637 2.248 10 0 AEAEMO C[C@H]1CN[C@H](C)C[N@@H+]1C1CCCCC1 62567927 343375974 /nfs/dbraw/zinc/37/59/74/343375974.db2.gz ZPZCODDWOPZQJW-MNOVXSKESA-N 1 1 196.338 2.001 10 0 AEAEMO CCCC[N@H+]1CC(C)(C)NCC1(C)C 62568317 343376025 /nfs/dbraw/zinc/37/60/25/343376025.db2.gz LGDUJGCOSWOQAM-UHFFFAOYSA-N 1 1 198.354 2.249 10 0 AEAEMO C[C@H]1C[N@H+](C2CCCCC2)[C@@H](C)CN1 62567930 343376092 /nfs/dbraw/zinc/37/60/92/343376092.db2.gz ZPZCODDWOPZQJW-QWRGUYRKSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@H]1C[N@@H+](C2CCCC2)C(C)(C)CN1 62567933 343376141 /nfs/dbraw/zinc/37/61/41/343376141.db2.gz GWSZDSKJGBTNGD-JTQLQIEISA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@H]1C[N@H+](C2CCCCC2)[C@H](C)CN1 62567929 343376282 /nfs/dbraw/zinc/37/62/82/343376282.db2.gz ZPZCODDWOPZQJW-WDEREUQCSA-N 1 1 196.338 2.001 10 0 AEAEMO CC1(C)C[N@H+](C2CCCC2)CCCN1 62567957 343376323 /nfs/dbraw/zinc/37/63/23/343376323.db2.gz FYUAJLFFBMMLGK-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO CC1(C)CNCC[N@H+]1C1CCCCC1 62567943 343376393 /nfs/dbraw/zinc/37/63/93/343376393.db2.gz FNKCSCGOVLMYJN-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@H]1CCNCC[N@H+]1C1CCCCC1 62567959 343376485 /nfs/dbraw/zinc/37/64/85/343376485.db2.gz NMFWKYICUCTNAB-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H](C)[N@H+]1CC(C)(C)NCC1(C)C 62568321 343376540 /nfs/dbraw/zinc/37/65/40/343376540.db2.gz IEVAKJXIKGDVRV-JTQLQIEISA-N 1 1 198.354 2.247 10 0 AEAEMO CC(C)[C@H]1CNC(C)(C)C[N@H+]1C(C)C 62568331 343376829 /nfs/dbraw/zinc/37/68/29/343376829.db2.gz OQRNMTKIPCIINP-LLVKDONJSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H](C)[N@H+]1CCCN[C@H](C(C)C)C1 62568397 343376834 /nfs/dbraw/zinc/37/68/34/343376834.db2.gz DNXSJRUKVZOMGY-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)N1CCC[NH2+][C@H](C(C)C)C1 62568397 343376837 /nfs/dbraw/zinc/37/68/37/343376837.db2.gz DNXSJRUKVZOMGY-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[C@@H]1CNC(C)(C)C[N@H+]1C(C)C 62568329 343377061 /nfs/dbraw/zinc/37/70/61/343377061.db2.gz OQRNMTKIPCIINP-NSHDSACASA-N 1 1 198.354 2.103 10 0 AEAEMO CC1CCC(c2ncc(C[NH3+])[nH]2)CC1 62820762 343382243 /nfs/dbraw/zinc/38/22/43/343382243.db2.gz OKFKYLPOVPRLNE-UHFFFAOYSA-N 1 1 193.294 2.162 10 0 AEAEMO C[NH2+]Cc1c[nH]c(C2CCCCC2)n1 62820914 343382638 /nfs/dbraw/zinc/38/26/38/343382638.db2.gz QMNTZRIVXGUEQE-UHFFFAOYSA-N 1 1 193.294 2.177 10 0 AEAEMO C[C@H]1CC[C@H]([N@H+](C)C2CCCC2)CN1 62948637 343386967 /nfs/dbraw/zinc/38/69/67/343386967.db2.gz TYCLJJRKSYEXPL-JQWIXIFHSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@H]1CC[C@H]([N@@H+](C)C2CCCC2)CN1 62948637 343386968 /nfs/dbraw/zinc/38/69/68/343386968.db2.gz TYCLJJRKSYEXPL-JQWIXIFHSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@H]1CC[C@@H]([N@H+](C)C2CCCC2)CN1 62948639 343387037 /nfs/dbraw/zinc/38/70/37/343387037.db2.gz TYCLJJRKSYEXPL-CMPLNLGQSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@H]1CC[C@@H]([N@@H+](C)C2CCCC2)CN1 62948639 343387039 /nfs/dbraw/zinc/38/70/39/343387039.db2.gz TYCLJJRKSYEXPL-CMPLNLGQSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@@H]1CC[C@@H]([N@H+](C)C2CCCC2)CN1 62948638 343387127 /nfs/dbraw/zinc/38/71/27/343387127.db2.gz TYCLJJRKSYEXPL-ZYHUDNBSSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@@H]1CC[C@@H]([N@@H+](C)C2CCCC2)CN1 62948638 343387130 /nfs/dbraw/zinc/38/71/30/343387130.db2.gz TYCLJJRKSYEXPL-ZYHUDNBSSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@@H]1CC[C@H]([N@@H+](C)C2CCCC2)CN1 62948636 343387276 /nfs/dbraw/zinc/38/72/76/343387276.db2.gz TYCLJJRKSYEXPL-PWSUYJOCSA-N 1 1 196.338 2.001 10 0 AEAEMO CC(C)[C@H](C)[N@H+](C)[C@H]1CC[C@@H](C)NC1 62948688 343387379 /nfs/dbraw/zinc/38/73/79/343387379.db2.gz YNWKDAIGQLSUAV-WOPDTQHZSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)[C@H]1CC[C@@H](C)NC1 62948688 343387381 /nfs/dbraw/zinc/38/73/81/343387381.db2.gz YNWKDAIGQLSUAV-WOPDTQHZSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)[C@H](C)[N@H+](C)[C@@H]1CC[C@@H](C)NC1 62948690 343387415 /nfs/dbraw/zinc/38/74/15/343387415.db2.gz YNWKDAIGQLSUAV-GRYCIOLGSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)[C@@H]1CC[C@@H](C)NC1 62948690 343387417 /nfs/dbraw/zinc/38/74/17/343387417.db2.gz YNWKDAIGQLSUAV-GRYCIOLGSA-N 1 1 198.354 2.103 10 0 AEAEMO Cc1ccc([C@@H]([NH3+])c2ccco2)cn1 62950384 343387573 /nfs/dbraw/zinc/38/75/73/343387573.db2.gz HXSOHEQYZRRFCF-LLVKDONJSA-N 1 1 188.230 2.031 10 0 AEAEMO Cc1ccc([C@H]([NH3+])c2ccco2)cn1 62950383 343387640 /nfs/dbraw/zinc/38/76/40/343387640.db2.gz HXSOHEQYZRRFCF-NSHDSACASA-N 1 1 188.230 2.031 10 0 AEAEMO CCC1(C)CCN([C@H](C)[C@@H](C)[NH3+])CC1 62953074 343388102 /nfs/dbraw/zinc/38/81/02/343388102.db2.gz JPPVLQGRGZSTDX-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC1(C)CCN([C@@H](C)[C@@H](C)[NH3+])CC1 62953073 343388391 /nfs/dbraw/zinc/38/83/91/343388391.db2.gz JPPVLQGRGZSTDX-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[C@@](C)(CN)[N@H+]1CCCC1(C)C 63066233 343399486 /nfs/dbraw/zinc/39/94/86/343399486.db2.gz ANUJACCTTKKYOY-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC1(C)CCC[N@H+]1[C@@H]1CCCC[C@@H]1N 63066537 343399518 /nfs/dbraw/zinc/39/95/18/343399518.db2.gz MIHTYISBJCIJEA-WDEREUQCSA-N 1 1 196.338 2.131 10 0 AEAEMO CN[C@H]1CCC[C@@H]1[N@@H+]1CCCC1(C)C 63066998 343399523 /nfs/dbraw/zinc/39/95/23/343399523.db2.gz CYQNFARKYXKUAG-QWRGUYRKSA-N 1 1 196.338 2.001 10 0 AEAEMO CN[C@H]1CCC[C@@H]1[N@H+]1CCCC1(C)C 63066998 343399525 /nfs/dbraw/zinc/39/95/25/343399525.db2.gz CYQNFARKYXKUAG-QWRGUYRKSA-N 1 1 196.338 2.001 10 0 AEAEMO CC(C)[C@](C)(CN)[N@H+]1CCCC1(C)C 63066234 343399616 /nfs/dbraw/zinc/39/96/16/343399616.db2.gz ANUJACCTTKKYOY-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)(C)[C@H](CN)[N@H+]1CCCC1(C)C 63065823 343399642 /nfs/dbraw/zinc/39/96/42/343399642.db2.gz BPFVUESCUYHSIF-JTQLQIEISA-N 1 1 198.354 2.234 10 0 AEAEMO CN[C@H]1CCC[C@H]1[N@@H+]1CCCC1(C)C 63066997 343399681 /nfs/dbraw/zinc/39/96/81/343399681.db2.gz CYQNFARKYXKUAG-WDEREUQCSA-N 1 1 196.338 2.001 10 0 AEAEMO CN[C@H]1CCC[C@H]1[N@H+]1CCCC1(C)C 63066997 343399684 /nfs/dbraw/zinc/39/96/84/343399684.db2.gz CYQNFARKYXKUAG-WDEREUQCSA-N 1 1 196.338 2.001 10 0 AEAEMO CC1(C)CCC[N@H+]1[C@H]1CCCC[C@@H]1N 63066538 343399798 /nfs/dbraw/zinc/39/97/98/343399798.db2.gz MIHTYISBJCIJEA-QWRGUYRKSA-N 1 1 196.338 2.131 10 0 AEAEMO CC1(C)CCC[N@H+]1C1(CN)CCCC1 63066410 343399842 /nfs/dbraw/zinc/39/98/42/343399842.db2.gz BFHHCDUIVSCZJZ-UHFFFAOYSA-N 1 1 196.338 2.132 10 0 AEAEMO CC1(C)CCCN1c1[nH+]cccc1N 63066289 343399850 /nfs/dbraw/zinc/39/98/50/343399850.db2.gz JEZFWSDPUWQUOL-UHFFFAOYSA-N 1 1 191.278 2.043 10 0 AEAEMO CC(C)(C)[C@@H](CN)[N@H+]1CCCC1(C)C 63065824 343399942 /nfs/dbraw/zinc/39/99/42/343399942.db2.gz BPFVUESCUYHSIF-SNVBAGLBSA-N 1 1 198.354 2.234 10 0 AEAEMO CC1(C)CCCN1c1ccc(N)[nH+]c1 63066309 343399959 /nfs/dbraw/zinc/39/99/59/343399959.db2.gz VSTKLNYVRFWFMR-UHFFFAOYSA-N 1 1 191.278 2.043 10 0 AEAEMO CC(C)(C)[C@@H](N)C[N@H+]1CCCC1(C)C 63066614 343400014 /nfs/dbraw/zinc/40/00/14/343400014.db2.gz QIPXMUANGRKTMY-JTQLQIEISA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@H+]1CCCC1(C)C 63072404 343400134 /nfs/dbraw/zinc/40/01/34/343400134.db2.gz HSOZAHMYUNTZSL-UWVGGRQHSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@H](O)[C@@H](C)[N@H+]1CCCC1(C)C 63072402 343400140 /nfs/dbraw/zinc/40/01/40/343400140.db2.gz HSOZAHMYUNTZSL-ZJUUUORDSA-N 1 1 185.311 2.020 10 0 AEAEMO CC1(C)CCC[N@H+]1[C@@H]1CCCC[C@@H]1O 63072112 343400271 /nfs/dbraw/zinc/40/02/71/343400271.db2.gz OHSMWPHGBUIFGD-MNOVXSKESA-N 1 1 197.322 2.164 10 0 AEAEMO CC[C@@H](O)[C@@H](C)[N@H+]1CCCC1(C)C 63072403 343400301 /nfs/dbraw/zinc/40/03/01/343400301.db2.gz HSOZAHMYUNTZSL-NXEZZACHSA-N 1 1 185.311 2.020 10 0 AEAEMO CC1(C)CCC[N@H+]1CCCCCO 63072115 343400515 /nfs/dbraw/zinc/40/05/15/343400515.db2.gz MNWANOAVACFSNA-UHFFFAOYSA-N 1 1 185.311 2.023 10 0 AEAEMO C[C@H]1CC[C@H]([N@@H+]2CCCC2(C)C)CN1 63067428 343400356 /nfs/dbraw/zinc/40/03/56/343400356.db2.gz IOYVJSHRBMQBNU-QWRGUYRKSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@H]1CC[C@H]([N@H+]2CCCC2(C)C)CN1 63067428 343400359 /nfs/dbraw/zinc/40/03/59/343400359.db2.gz IOYVJSHRBMQBNU-QWRGUYRKSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@H](O)[C@H](C)[N@H+]1CCCC1(C)C 63072405 343400377 /nfs/dbraw/zinc/40/03/77/343400377.db2.gz HSOZAHMYUNTZSL-VHSXEESVSA-N 1 1 185.311 2.020 10 0 AEAEMO CC1(C)CCC[N@@H+]1C[C@H]1CCCCN1 63067306 343400417 /nfs/dbraw/zinc/40/04/17/343400417.db2.gz KMKGLRLDISQTCI-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC1(C)CCC[N@H+]1C[C@H]1CCCCN1 63067306 343400418 /nfs/dbraw/zinc/40/04/18/343400418.db2.gz KMKGLRLDISQTCI-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@@H]1CC[C@@H]([N@@H+]2CCCC2(C)C)CN1 63067429 343400477 /nfs/dbraw/zinc/40/04/77/343400477.db2.gz IOYVJSHRBMQBNU-GHMZBOCLSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@@H]1CC[C@@H]([N@H+]2CCCC2(C)C)CN1 63067429 343400481 /nfs/dbraw/zinc/40/04/81/343400481.db2.gz IOYVJSHRBMQBNU-GHMZBOCLSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@@H]1CC[C@H]([N@H+]2CCCC2(C)C)CN1 63067427 343400617 /nfs/dbraw/zinc/40/06/17/343400617.db2.gz IOYVJSHRBMQBNU-MNOVXSKESA-N 1 1 196.338 2.001 10 0 AEAEMO CC1(C)CCC[N@H+]1[C@H]1CCCC[C@@H]1O 63072113 343400604 /nfs/dbraw/zinc/40/06/04/343400604.db2.gz OHSMWPHGBUIFGD-QWRGUYRKSA-N 1 1 197.322 2.164 10 0 AEAEMO C[C@@H]1CC[C@H]([N@@H+]2CCCC2(C)C)CN1 63067427 343400615 /nfs/dbraw/zinc/40/06/15/343400615.db2.gz IOYVJSHRBMQBNU-MNOVXSKESA-N 1 1 196.338 2.001 10 0 AEAEMO CC1(C)CCC[N@H+]1[C@@H]1CCCCC1=O 63071723 343400630 /nfs/dbraw/zinc/40/06/30/343400630.db2.gz SVWRYCWUPZROCG-SNVBAGLBSA-N 1 1 195.306 2.373 10 0 AEAEMO CC1(C)CCC[N@H+]1[C@H]1CCCCC1=O 63071724 343400654 /nfs/dbraw/zinc/40/06/54/343400654.db2.gz SVWRYCWUPZROCG-JTQLQIEISA-N 1 1 195.306 2.373 10 0 AEAEMO CC(C)(C)C(=O)C[N@H+]1CCCC1(C)C 63071777 343400665 /nfs/dbraw/zinc/40/06/65/343400665.db2.gz FESNIHKFTNHPCF-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CC1(C)CCC[N@@H+]1C[C@@H]1CCCCN1 63067305 343400678 /nfs/dbraw/zinc/40/06/78/343400678.db2.gz KMKGLRLDISQTCI-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC1(C)CCC[N@H+]1C[C@@H]1CCCCN1 63067305 343400679 /nfs/dbraw/zinc/40/06/79/343400679.db2.gz KMKGLRLDISQTCI-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@H]1CC[C@@H]([N@@H+]2CCCC2(C)C)CN1 63067430 343400687 /nfs/dbraw/zinc/40/06/87/343400687.db2.gz IOYVJSHRBMQBNU-WDEREUQCSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@H]1CC[C@@H]([N@H+]2CCCC2(C)C)CN1 63067430 343400688 /nfs/dbraw/zinc/40/06/88/343400688.db2.gz IOYVJSHRBMQBNU-WDEREUQCSA-N 1 1 196.338 2.001 10 0 AEAEMO CC1(C)CCC[N@H+]1C[C@H]1CCCC1=O 63073039 343400889 /nfs/dbraw/zinc/40/08/89/343400889.db2.gz KRSXRJKSVMVQRN-SNVBAGLBSA-N 1 1 195.306 2.230 10 0 AEAEMO CC1(C)CCC[N@H+]1C[C@H]1CCC[C@@H]1O 63073578 343400967 /nfs/dbraw/zinc/40/09/67/343400967.db2.gz JCDGPZURIOUFQY-MNOVXSKESA-N 1 1 197.322 2.022 10 0 AEAEMO CC1(C)CCC[N@@H+]1[C@@H]1CCCCNC1 63074109 343400971 /nfs/dbraw/zinc/40/09/71/343400971.db2.gz QGTNWBZLQCSXFE-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC1(C)CCC[N@H+]1[C@@H]1CCCCNC1 63074109 343400973 /nfs/dbraw/zinc/40/09/73/343400973.db2.gz QGTNWBZLQCSXFE-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC1(C)CCC[N@H+]1C[C@@H]1CCCC1=O 63073037 343401042 /nfs/dbraw/zinc/40/10/42/343401042.db2.gz KRSXRJKSVMVQRN-JTQLQIEISA-N 1 1 195.306 2.230 10 0 AEAEMO CC1(C)CCC[N@H+]1CC1(N)CCCC1 63073498 343401115 /nfs/dbraw/zinc/40/11/15/343401115.db2.gz XJYXRXBCKDECBZ-UHFFFAOYSA-N 1 1 196.338 2.132 10 0 AEAEMO CC1(C)CCC[N@@H+]1[C@H]1CCCCNC1 63074110 343401166 /nfs/dbraw/zinc/40/11/66/343401166.db2.gz QGTNWBZLQCSXFE-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC1(C)CCC[N@H+]1[C@H]1CCCCNC1 63074110 343401168 /nfs/dbraw/zinc/40/11/68/343401168.db2.gz QGTNWBZLQCSXFE-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CNC[C@H]1CCCC[N@@H+]1C1CCCC1 63166705 343403409 /nfs/dbraw/zinc/40/34/09/343403409.db2.gz IGPBBHQEZBJWOP-GFCCVEGCSA-N 1 1 196.338 2.003 10 0 AEAEMO CNC[C@H]1CCCC[N@H+]1C1CCCC1 63166705 343403411 /nfs/dbraw/zinc/40/34/11/343403411.db2.gz IGPBBHQEZBJWOP-GFCCVEGCSA-N 1 1 196.338 2.003 10 0 AEAEMO CNC[C@@H]1CCCC[N@@H+]1C1CCCC1 63166704 343403481 /nfs/dbraw/zinc/40/34/81/343403481.db2.gz IGPBBHQEZBJWOP-LBPRGKRZSA-N 1 1 196.338 2.003 10 0 AEAEMO CNC[C@@H]1CCCC[N@H+]1C1CCCC1 63166704 343403483 /nfs/dbraw/zinc/40/34/83/343403483.db2.gz IGPBBHQEZBJWOP-LBPRGKRZSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@H](N)[C@@H]1CCCC[N@H+]1CC(C)(C)C 63192081 343405374 /nfs/dbraw/zinc/40/53/74/343405374.db2.gz PAUZOGPCXRBCDD-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]([NH3+])[C@@H]1CCCCN1CC(C)(C)C 63192081 343405375 /nfs/dbraw/zinc/40/53/75/343405375.db2.gz PAUZOGPCXRBCDD-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H](N)[C@H]1CCCC[N@H+]1CC(C)(C)C 63192083 343405400 /nfs/dbraw/zinc/40/54/00/343405400.db2.gz PAUZOGPCXRBCDD-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]([NH3+])[C@H]1CCCCN1CC(C)(C)C 63192083 343405401 /nfs/dbraw/zinc/40/54/01/343405401.db2.gz PAUZOGPCXRBCDD-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H](N)[C@@H]1CCCC[N@H+]1C1CCCC1 63191576 343405549 /nfs/dbraw/zinc/40/55/49/343405549.db2.gz GCKKRFBKQSLZEK-JQWIXIFHSA-N 1 1 196.338 2.131 10 0 AEAEMO C[C@@H](N)[C@H]1CCCC[N@H+]1CC(C)(C)C 63192084 343405646 /nfs/dbraw/zinc/40/56/46/343405646.db2.gz PAUZOGPCXRBCDD-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]([NH3+])[C@H]1CCCCN1CC(C)(C)C 63192084 343405648 /nfs/dbraw/zinc/40/56/48/343405648.db2.gz PAUZOGPCXRBCDD-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H](N)[C@H]1CCCC[N@H+]1C1CCCC1 63191579 343405654 /nfs/dbraw/zinc/40/56/54/343405654.db2.gz GCKKRFBKQSLZEK-ZYHUDNBSSA-N 1 1 196.338 2.131 10 0 AEAEMO C[C@H](N)[C@H]1CCCC[N@H+]1C1CCCC1 63191578 343405711 /nfs/dbraw/zinc/40/57/11/343405711.db2.gz GCKKRFBKQSLZEK-CMPLNLGQSA-N 1 1 196.338 2.131 10 0 AEAEMO C[C@@H]([NH3+])[C@@H]1CCCCN1CC(C)(C)C 63192082 343405744 /nfs/dbraw/zinc/40/57/44/343405744.db2.gz PAUZOGPCXRBCDD-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO Cc1ccc([C@H]2[NH2+]C[C@@H](C)O[C@@H]2C)o1 68576053 343411837 /nfs/dbraw/zinc/41/18/37/343411837.db2.gz HXYAVPAYEXEPCU-KKZNHRDASA-N 1 1 195.262 2.026 10 0 AEAEMO C[C@H]1CC[N@@H+](CC(=O)C2CC2)[C@H](C)C1 68896888 343413825 /nfs/dbraw/zinc/41/38/25/343413825.db2.gz RCVLQWNIXSAJOI-VHSXEESVSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@@H]1CCC[N@@H+](CC(=O)C2CC2)CC1 68897525 343413956 /nfs/dbraw/zinc/41/39/56/343413956.db2.gz WDXFYGIKPNVIQI-SNVBAGLBSA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@@H]1CC[N@@H+](CC(=O)C2CC2)[C@H](C)C1 68896883 343414000 /nfs/dbraw/zinc/41/40/00/343414000.db2.gz RCVLQWNIXSAJOI-NXEZZACHSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@H]1CCC[N@@H+](CC(=O)C2CC2)CC1 68897529 343414097 /nfs/dbraw/zinc/41/40/97/343414097.db2.gz WDXFYGIKPNVIQI-JTQLQIEISA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@H]1CCC[C@@H](C)[N@H+]1C[C@H](O)C1CC1 68908130 343414715 /nfs/dbraw/zinc/41/47/15/343414715.db2.gz WCXQSVZBQYXIRB-UMNHJUIQSA-N 1 1 197.322 2.020 10 0 AEAEMO Cc1cccnc1[C@H]([NH3+])c1ccoc1 68979923 343418818 /nfs/dbraw/zinc/41/88/18/343418818.db2.gz LALJSWROAGAKKC-SNVBAGLBSA-N 1 1 188.230 2.031 10 0 AEAEMO Cc1cccnc1[C@@H]([NH3+])c1ccoc1 68979924 343419053 /nfs/dbraw/zinc/41/90/53/343419053.db2.gz LALJSWROAGAKKC-JTQLQIEISA-N 1 1 188.230 2.031 10 0 AEAEMO CC[C@@H](C)c1cn2cc(N)ccc2[nH+]1 68985118 343419657 /nfs/dbraw/zinc/41/96/57/343419657.db2.gz IRGVPOHSSMPEOJ-MRVPVSSYSA-N 1 1 189.262 2.430 10 0 AEAEMO CC[C@H](C)c1cn2cc(N)ccc2[nH+]1 68985121 343419728 /nfs/dbraw/zinc/41/97/28/343419728.db2.gz IRGVPOHSSMPEOJ-QMMMGPOBSA-N 1 1 189.262 2.430 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@H]1CCCC[C@@H]1N 68997058 343419943 /nfs/dbraw/zinc/41/99/43/343419943.db2.gz CLXRRVWFIMFJMM-QWRGUYRKSA-N 1 1 198.354 2.377 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@@H]1CCCC[C@@H]1N 68997056 343420020 /nfs/dbraw/zinc/42/00/20/343420020.db2.gz CLXRRVWFIMFJMM-WDEREUQCSA-N 1 1 198.354 2.377 10 0 AEAEMO CCC(C)(C)N(C)c1ccc(N)[nH+]c1 68995344 343420089 /nfs/dbraw/zinc/42/00/89/343420089.db2.gz VJGBQVQTBAWXIE-UHFFFAOYSA-N 1 1 193.294 2.289 10 0 AEAEMO CCC(C)(C)[N@H+](C)[C@@H]1CCCCNC1 69012650 343420471 /nfs/dbraw/zinc/42/04/71/343420471.db2.gz UPWOODVLXORCEH-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@@H]1CCCCNC1 69012650 343420472 /nfs/dbraw/zinc/42/04/72/343420472.db2.gz UPWOODVLXORCEH-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(C)(C)[N@H+](C)[C@@H]1CC[C@H](C)NC1 68999024 343420543 /nfs/dbraw/zinc/42/05/43/343420543.db2.gz FNCTYBKCIDTEDP-WDEREUQCSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@@H]1CC[C@H](C)NC1 68999024 343420544 /nfs/dbraw/zinc/42/05/44/343420544.db2.gz FNCTYBKCIDTEDP-WDEREUQCSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(C)(C)[N@H+](C)[C@H]1CCCCNC1 69012652 343420867 /nfs/dbraw/zinc/42/08/67/343420867.db2.gz UPWOODVLXORCEH-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@H]1CCCCNC1 69012652 343420870 /nfs/dbraw/zinc/42/08/70/343420870.db2.gz UPWOODVLXORCEH-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(C)(C)[N@H+](C)[C@H]1CC[C@H](C)NC1 68999025 343420880 /nfs/dbraw/zinc/42/08/80/343420880.db2.gz FNCTYBKCIDTEDP-QWRGUYRKSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@H]1CC[C@H](C)NC1 68999025 343420882 /nfs/dbraw/zinc/42/08/82/343420882.db2.gz FNCTYBKCIDTEDP-QWRGUYRKSA-N 1 1 198.354 2.247 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1C[C@H](C)N[C@H](C)C1 69627823 343427509 /nfs/dbraw/zinc/42/75/09/343427509.db2.gz DLKUHZGNEZCVNN-TUAOUCFPSA-N 1 1 198.354 2.103 10 0 AEAEMO C[C@@H](CC1CC1)Nc1ccc(N)[nH+]c1 69663457 343431326 /nfs/dbraw/zinc/43/13/26/343431326.db2.gz CJXOQSOSHHLCTK-QMMMGPOBSA-N 1 1 191.278 2.264 10 0 AEAEMO C[C@H](CC1CC1)Nc1ccc(N)[nH+]c1 69663460 343431478 /nfs/dbraw/zinc/43/14/78/343431478.db2.gz CJXOQSOSHHLCTK-MRVPVSSYSA-N 1 1 191.278 2.264 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1CCC(=O)[C@H](C)C1 69666404 343431548 /nfs/dbraw/zinc/43/15/48/343431548.db2.gz RUJKYYAQALNGQS-ZJUUUORDSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@H]1CC(=O)CC[N@@H+]1[C@@H](C)CC1CC1 69666548 343431727 /nfs/dbraw/zinc/43/17/27/343431727.db2.gz XXZMAYNHRLHLJW-UWVGGRQHSA-N 1 1 195.306 2.228 10 0 AEAEMO C[C@@H](CC1CC1)[N@H+]1CCC(=O)C[C@H]1C 69666546 343431798 /nfs/dbraw/zinc/43/17/98/343431798.db2.gz XXZMAYNHRLHLJW-VHSXEESVSA-N 1 1 195.306 2.228 10 0 AEAEMO C[C@H]1C[N@@H+]([C@@H](C)CC2CC2)CCC1=O 69666406 343431819 /nfs/dbraw/zinc/43/18/19/343431819.db2.gz RUJKYYAQALNGQS-UWVGGRQHSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@@H]1CC[N@@H+](CCC(C)(C)C)C[C@@H]1N 69718576 343435523 /nfs/dbraw/zinc/43/55/23/343435523.db2.gz GVIUWMACOPWEDT-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1CCN(CCC(C)(C)C)C[C@@H]1[NH3+] 69718576 343435524 /nfs/dbraw/zinc/43/55/24/343435524.db2.gz GVIUWMACOPWEDT-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C(C)C)[N@H+]1CC[C@H](C)[C@H](N)C1 69718413 343435582 /nfs/dbraw/zinc/43/55/82/343435582.db2.gz BCZNEXBXXWYUDO-QJPTWQEYSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H]1CC[N@@H+](CCC(C)(C)C)C[C@@H]1N 69718580 343435890 /nfs/dbraw/zinc/43/58/90/343435890.db2.gz GVIUWMACOPWEDT-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CCN(CCC(C)(C)C)C[C@@H]1[NH3+] 69718580 343435892 /nfs/dbraw/zinc/43/58/92/343435892.db2.gz GVIUWMACOPWEDT-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1CCC[C@@H](CN)[N@H+]1C1CCCC1 69721725 343437036 /nfs/dbraw/zinc/43/70/36/343437036.db2.gz NCPHVEVUTQVWDX-PWSUYJOCSA-N 1 1 196.338 2.131 10 0 AEAEMO C[C@H]1CCC[C@@H](CN)[N@H+]1CC(C)(C)C 69721473 343437083 /nfs/dbraw/zinc/43/70/83/343437083.db2.gz PTFUIQJCZMKLRY-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]1CCC[C@@H](CN)[N@H+]1C1CCCC1 69721728 343437097 /nfs/dbraw/zinc/43/70/97/343437097.db2.gz NCPHVEVUTQVWDX-JQWIXIFHSA-N 1 1 196.338 2.131 10 0 AEAEMO C[C@H]1CCC[C@H](CN)[N@H+]1CC(C)(C)C 69721471 343437171 /nfs/dbraw/zinc/43/71/71/343437171.db2.gz PTFUIQJCZMKLRY-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]1CCC[C@H](CN)[N@H+]1C1CCCC1 69721723 343437188 /nfs/dbraw/zinc/43/71/88/343437188.db2.gz NCPHVEVUTQVWDX-CMPLNLGQSA-N 1 1 196.338 2.131 10 0 AEAEMO C[C@@H]1CCC[C@H](CN)[N@H+]1CC(C)(C)C 69721468 343437197 /nfs/dbraw/zinc/43/71/97/343437197.db2.gz PTFUIQJCZMKLRY-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]1CCC[C@H](CN)[N@H+]1C1CCCC1 69721720 343437350 /nfs/dbraw/zinc/43/73/50/343437350.db2.gz NCPHVEVUTQVWDX-ZYHUDNBSSA-N 1 1 196.338 2.131 10 0 AEAEMO C[C@@H]1CCC[C@@H](CN)[N@H+]1CC(C)(C)C 69721472 343437387 /nfs/dbraw/zinc/43/73/87/343437387.db2.gz PTFUIQJCZMKLRY-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)=CC[N@H+]1CCC[C@H](C)[C@H]1CN 69727045 343437526 /nfs/dbraw/zinc/43/75/26/343437526.db2.gz JKXRYBGPGOBSKG-NWDGAFQWSA-N 1 1 196.338 2.012 10 0 AEAEMO CC(C)=CC[N@@H+]1CCC[C@H](C)[C@H]1CN 69727045 343437528 /nfs/dbraw/zinc/43/75/28/343437528.db2.gz JKXRYBGPGOBSKG-NWDGAFQWSA-N 1 1 196.338 2.012 10 0 AEAEMO CC(C)=CC[N@H+]1CCC[C@@H](C)[C@H]1CN 69727041 343437636 /nfs/dbraw/zinc/43/76/36/343437636.db2.gz JKXRYBGPGOBSKG-VXGBXAGGSA-N 1 1 196.338 2.012 10 0 AEAEMO CC(C)=CC[N@@H+]1CCC[C@@H](C)[C@H]1CN 69727041 343437637 /nfs/dbraw/zinc/43/76/37/343437637.db2.gz JKXRYBGPGOBSKG-VXGBXAGGSA-N 1 1 196.338 2.012 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CCC[C@H](C)[C@H]1CN 69725828 343437754 /nfs/dbraw/zinc/43/77/54/343437754.db2.gz DQTSDRAXTVQUMZ-SDDRHHMPSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H]1CCC[N@@H+](CC(C)(C)C)[C@@H]1CN 69725955 343437832 /nfs/dbraw/zinc/43/78/32/343437832.db2.gz FOVOFEDWNKWMSS-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1CCC[N@@H+](CC(C)(C)C)[C@@H]1CN 69725954 343437887 /nfs/dbraw/zinc/43/78/87/343437887.db2.gz FOVOFEDWNKWMSS-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CCC[C@@H](C)[C@H]1CN 69725826 343437909 /nfs/dbraw/zinc/43/79/09/343437909.db2.gz DQTSDRAXTVQUMZ-GRYCIOLGSA-N 1 1 198.354 2.090 10 0 AEAEMO Cc1ccc(OC(C)(C)C)c(N)[nH+]1 69760542 343439360 /nfs/dbraw/zinc/43/93/60/343439360.db2.gz HKECJZGKJNKAOI-UHFFFAOYSA-N 1 1 180.251 2.150 10 0 AEAEMO Cc1[nH+]ccn1CCc1ccsc1 69767293 343440422 /nfs/dbraw/zinc/44/04/22/343440422.db2.gz KTSWBQOPLJQICO-UHFFFAOYSA-N 1 1 192.287 2.496 10 0 AEAEMO CC[C@H](N)[C@H](C)[N@H+]1CCCC(C)(C)C1 69793238 343441511 /nfs/dbraw/zinc/44/15/11/343441511.db2.gz ICTSZAGSHAIGPO-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]([NH3+])[C@H](C)N1CCCC(C)(C)C1 69793238 343441514 /nfs/dbraw/zinc/44/15/14/343441514.db2.gz ICTSZAGSHAIGPO-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](N)[C@H](C)[N@H+]1CCCC(C)(C)C1 69793240 343441725 /nfs/dbraw/zinc/44/17/25/343441725.db2.gz ICTSZAGSHAIGPO-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]([NH3+])[C@H](C)N1CCCC(C)(C)C1 69793240 343441728 /nfs/dbraw/zinc/44/17/28/343441728.db2.gz ICTSZAGSHAIGPO-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@](C)(CN)[N@H+]1CCCC(C)(C)C1 69793042 343441810 /nfs/dbraw/zinc/44/18/10/343441810.db2.gz JVFVDWRWIVBLPM-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@](C)(CN)[N@H+]1CCCC(C)(C)C1 69793044 343441819 /nfs/dbraw/zinc/44/18/19/343441819.db2.gz JVFVDWRWIVBLPM-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H](N)[C@@H](C)[N@H+]1CCCC(C)(C)C1 69793230 343441966 /nfs/dbraw/zinc/44/19/66/343441966.db2.gz ICTSZAGSHAIGPO-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]([NH3+])[C@@H](C)N1CCCC(C)(C)C1 69793230 343441968 /nfs/dbraw/zinc/44/19/68/343441968.db2.gz ICTSZAGSHAIGPO-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](N)[C@@H](C)[N@H+]1CCCC(C)(C)C1 69793236 343441983 /nfs/dbraw/zinc/44/19/83/343441983.db2.gz ICTSZAGSHAIGPO-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]([NH3+])[C@@H](C)N1CCCC(C)(C)C1 69793236 343441985 /nfs/dbraw/zinc/44/19/85/343441985.db2.gz ICTSZAGSHAIGPO-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](O)[C@H](C)[N@H+]1CCCC(C)(C)C1 69793735 343442118 /nfs/dbraw/zinc/44/21/18/343442118.db2.gz XBXCEDFFERZJJT-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC(=O)C[N@H+]1CCCC(C)(C)C1 69793587 343442130 /nfs/dbraw/zinc/44/21/30/343442130.db2.gz SKWYXPCNMRINIU-UHFFFAOYSA-N 1 1 183.295 2.088 10 0 AEAEMO CC(=O)[C@H](C)[N@H+]1CCCC(C)(C)C1 69793563 343442138 /nfs/dbraw/zinc/44/21/38/343442138.db2.gz WPSBGCJTGXVKHI-VIFPVBQESA-N 1 1 183.295 2.086 10 0 AEAEMO CC1(C)CCC[N@@H+](CC(=O)C2CC2)C1 69793608 343442149 /nfs/dbraw/zinc/44/21/49/343442149.db2.gz OIRULRWVLWRFRM-UHFFFAOYSA-N 1 1 195.306 2.088 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@H+]1CCCC(C)(C)C1 69793734 343442337 /nfs/dbraw/zinc/44/23/37/343442337.db2.gz XBXCEDFFERZJJT-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H](O)[C@@H](C)[N@H+]1CCCC(C)(C)C1 69793732 343442444 /nfs/dbraw/zinc/44/24/44/343442444.db2.gz XBXCEDFFERZJJT-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](O)[C@@H](C)[N@H+]1CCCC(C)(C)C1 69793730 343442459 /nfs/dbraw/zinc/44/24/59/343442459.db2.gz XBXCEDFFERZJJT-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO CC(=O)[C@@H](C)[N@H+]1CCCC(C)(C)C1 69793565 343442487 /nfs/dbraw/zinc/44/24/87/343442487.db2.gz WPSBGCJTGXVKHI-SECBINFHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC1(C)CCC[N@H+]([C@H]2CCCC2=O)C1 69793571 343442580 /nfs/dbraw/zinc/44/25/80/343442580.db2.gz TWUCAEZUDPZSOX-JTQLQIEISA-N 1 1 195.306 2.230 10 0 AEAEMO Nc1[nH+]cccc1Cc1ccsc1 69841474 343444512 /nfs/dbraw/zinc/44/45/12/343444512.db2.gz RUHDZKMRROECDW-UHFFFAOYSA-N 1 1 190.271 2.316 10 0 AEAEMO Nc1[nH+]cccc1CC1CCCC1 69841368 343444561 /nfs/dbraw/zinc/44/45/61/343444561.db2.gz FMKLXKOSZJMJBT-UHFFFAOYSA-N 1 1 176.263 2.397 10 0 AEAEMO Nc1[nH+]cccc1C1CCCC1 69841516 343444596 /nfs/dbraw/zinc/44/45/96/343444596.db2.gz ZQXLQSVKJGDFCX-UHFFFAOYSA-N 1 1 162.236 2.321 10 0 AEAEMO CO[C@@H]1CCC[C@@H](n2cc[nH+]c2C)C1 69850233 343447969 /nfs/dbraw/zinc/44/79/69/343447969.db2.gz JZMWFFVJWIPKNC-GHMZBOCLSA-N 1 1 194.278 2.322 10 0 AEAEMO Cc1cc[nH+]c(N)c1[C@H](O)CC(C)C 69941936 343457327 /nfs/dbraw/zinc/45/73/27/343457327.db2.gz IRGJWTONBYNSCZ-SECBINFHSA-N 1 1 194.278 2.052 10 0 AEAEMO Cc1cc[nH+]c(N)c1[C@@H](O)CC(C)C 69941937 343457531 /nfs/dbraw/zinc/45/75/31/343457531.db2.gz IRGJWTONBYNSCZ-VIFPVBQESA-N 1 1 194.278 2.052 10 0 AEAEMO Cc1c[nH+]c(N)c([C@H](O)CC(C)C)c1 69942854 343458094 /nfs/dbraw/zinc/45/80/94/343458094.db2.gz WYLPKVSREGXOFT-SNVBAGLBSA-N 1 1 194.278 2.052 10 0 AEAEMO Cc1cc[nH+]c(N)c1-c1ccoc1 69942623 343458156 /nfs/dbraw/zinc/45/81/56/343458156.db2.gz SCRFBTVCAWIOPG-UHFFFAOYSA-N 1 1 174.203 2.232 10 0 AEAEMO Cc1c[nH+]c(N)c([C@@H](O)CC(C)C)c1 69942855 343458163 /nfs/dbraw/zinc/45/81/63/343458163.db2.gz WYLPKVSREGXOFT-JTQLQIEISA-N 1 1 194.278 2.052 10 0 AEAEMO Nc1cc(Cc2cccs2)cc[nH+]1 69942609 343458297 /nfs/dbraw/zinc/45/82/97/343458297.db2.gz GOKBGRDUOBPTJW-UHFFFAOYSA-N 1 1 190.271 2.316 10 0 AEAEMO C[C@H]1CCCCC[N@@H+]1C1CCNCC1 69944997 343459048 /nfs/dbraw/zinc/45/90/48/343459048.db2.gz LBHODMXKYHIUNL-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1C1CCNCC1 69944997 343459051 /nfs/dbraw/zinc/45/90/51/343459051.db2.gz LBHODMXKYHIUNL-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@@](C)(CN)[N@H+]1CCCCC[C@@H]1C 69944483 343459202 /nfs/dbraw/zinc/45/92/02/343459202.db2.gz KVSJOCASEKHLIR-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CN[C@H](C)[C@H](C)[N@@H+]1CCCCC[C@H]1C 69944634 343459351 /nfs/dbraw/zinc/45/93/51/343459351.db2.gz HRYAXMDFNZGIAG-UTUOFQBUSA-N 1 1 198.354 2.247 10 0 AEAEMO CN[C@H](C)[C@H](C)[N@H+]1CCCCC[C@H]1C 69944634 343459355 /nfs/dbraw/zinc/45/93/55/343459355.db2.gz HRYAXMDFNZGIAG-UTUOFQBUSA-N 1 1 198.354 2.247 10 0 AEAEMO CC(C)[C@H](CN)[N@H+]1CCCCC[C@@H]1C 69944490 343459443 /nfs/dbraw/zinc/45/94/43/343459443.db2.gz UZZYTTXKBFWVMD-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@](C)(CN)[N@H+]1CCCCC[C@@H]1C 69944484 343459474 /nfs/dbraw/zinc/45/94/74/343459474.db2.gz KVSJOCASEKHLIR-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CC(C)[C@H](CN)[N@H+]1CCCCC[C@H]1C 69944488 343459553 /nfs/dbraw/zinc/45/95/53/343459553.db2.gz UZZYTTXKBFWVMD-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CN[C@H](C)[C@H](C)[N@@H+]1CCCCC[C@@H]1C 69944636 343459586 /nfs/dbraw/zinc/45/95/86/343459586.db2.gz HRYAXMDFNZGIAG-TUAOUCFPSA-N 1 1 198.354 2.247 10 0 AEAEMO CN[C@H](C)[C@H](C)[N@H+]1CCCCC[C@@H]1C 69944636 343459588 /nfs/dbraw/zinc/45/95/88/343459588.db2.gz HRYAXMDFNZGIAG-TUAOUCFPSA-N 1 1 198.354 2.247 10 0 AEAEMO C[C@@H]1CCCCC[N@@H+]1C1CCNCC1 69944995 343459604 /nfs/dbraw/zinc/45/96/04/343459604.db2.gz LBHODMXKYHIUNL-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1C1CCNCC1 69944995 343459607 /nfs/dbraw/zinc/45/96/07/343459607.db2.gz LBHODMXKYHIUNL-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC(C)[C@@H](N)C[N@H+]1CCCCC[C@H]1C 69945345 343459837 /nfs/dbraw/zinc/45/98/37/343459837.db2.gz PNNRCURGCOQZTO-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[C@@H](N)C[N@H+]1CCCCC[C@@H]1C 69945346 343459952 /nfs/dbraw/zinc/45/99/52/343459952.db2.gz PNNRCURGCOQZTO-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(=O)CC[N@@H+]1CCCCC[C@@H]1C 69945280 343460010 /nfs/dbraw/zinc/46/00/10/343460010.db2.gz KPTMHYHIEWQDRW-JTQLQIEISA-N 1 1 183.295 2.230 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1CCCCCO 69945405 343460033 /nfs/dbraw/zinc/46/00/33/343460033.db2.gz WQGZGMLHHUTBHZ-GFCCVEGCSA-N 1 1 199.338 2.414 10 0 AEAEMO CC(=O)CC[N@@H+]1CCCCC[C@H]1C 69945279 343460042 /nfs/dbraw/zinc/46/00/42/343460042.db2.gz KPTMHYHIEWQDRW-SNVBAGLBSA-N 1 1 183.295 2.230 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1CCCCO 69945411 343460056 /nfs/dbraw/zinc/46/00/56/343460056.db2.gz PVTLJMHDLRICTA-LLVKDONJSA-N 1 1 185.311 2.023 10 0 AEAEMO CC(=O)[C@H](C)[N@H+]1CCCCC[C@H]1C 69945261 343460068 /nfs/dbraw/zinc/46/00/68/343460068.db2.gz MEQYQBJNUZVZDE-ZJUUUORDSA-N 1 1 183.295 2.228 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1[C@@H]1CCCC1=O 69945265 343460091 /nfs/dbraw/zinc/46/00/91/343460091.db2.gz ZLSZKNGFDNWSLJ-WDEREUQCSA-N 1 1 195.306 2.373 10 0 AEAEMO CNC(C)(C)C[N@@H+]1CCCCC[C@H]1C 69945389 343460128 /nfs/dbraw/zinc/46/01/28/343460128.db2.gz YYZXFODYVFXXIR-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CNC(C)(C)C[N@H+]1CCCCC[C@H]1C 69945389 343460130 /nfs/dbraw/zinc/46/01/30/343460130.db2.gz YYZXFODYVFXXIR-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1[C@@H]1CCCC1=O 69945264 343460156 /nfs/dbraw/zinc/46/01/56/343460156.db2.gz ZLSZKNGFDNWSLJ-GHMZBOCLSA-N 1 1 195.306 2.373 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1CCCCO 69945412 343460175 /nfs/dbraw/zinc/46/01/75/343460175.db2.gz PVTLJMHDLRICTA-NSHDSACASA-N 1 1 185.311 2.023 10 0 AEAEMO CC(=O)[C@H](C)[N@H+]1CCCCC[C@@H]1C 69945262 343460201 /nfs/dbraw/zinc/46/02/01/343460201.db2.gz MEQYQBJNUZVZDE-UWVGGRQHSA-N 1 1 183.295 2.228 10 0 AEAEMO CNC(C)(C)C[N@@H+]1CCCCC[C@@H]1C 69945390 343460222 /nfs/dbraw/zinc/46/02/22/343460222.db2.gz YYZXFODYVFXXIR-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CNC(C)(C)C[N@H+]1CCCCC[C@@H]1C 69945390 343460224 /nfs/dbraw/zinc/46/02/24/343460224.db2.gz YYZXFODYVFXXIR-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC(=O)CC[N@H+]1[C@@H](C)CCC[C@H]1C 70162192 343476159 /nfs/dbraw/zinc/47/61/59/343476159.db2.gz HHFKOLAMOYCQBI-AOOOYVTPSA-N 1 1 183.295 2.228 10 0 AEAEMO Cc1[nH+]ccn1Cc1cccs1 70162656 343476377 /nfs/dbraw/zinc/47/63/77/343476377.db2.gz HOQOFRPXDQWNTR-UHFFFAOYSA-N 1 1 178.260 2.301 10 0 AEAEMO CC(C)[N@@H+]1CCCc2cc(N)ccc21 70187253 343478315 /nfs/dbraw/zinc/47/83/15/343478315.db2.gz KVSBVTSVJHIVON-UHFFFAOYSA-N 1 1 190.290 2.430 10 0 AEAEMO CC(C)[N@H+]1CCCc2cc(N)ccc21 70187253 343478319 /nfs/dbraw/zinc/47/83/19/343478319.db2.gz KVSBVTSVJHIVON-UHFFFAOYSA-N 1 1 190.290 2.430 10 0 AEAEMO C[C@@H](CC1CC1)Nc1[nH+]cccc1N 70534040 343489230 /nfs/dbraw/zinc/48/92/30/343489230.db2.gz MSRVIZCHCUULPD-QMMMGPOBSA-N 1 1 191.278 2.264 10 0 AEAEMO C[C@H](CC1CC1)Nc1[nH+]cccc1N 70534041 343489294 /nfs/dbraw/zinc/48/92/94/343489294.db2.gz MSRVIZCHCUULPD-MRVPVSSYSA-N 1 1 191.278 2.264 10 0 AEAEMO C[C@@H]1CCC[C@H]([N@H+]2CCC[C@@H]2CO)C1 70567210 343493231 /nfs/dbraw/zinc/49/32/31/343493231.db2.gz QWKAECQQIDRAQA-GRYCIOLGSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1CCC[C@H]([N@H+]2CCC[C@@H]2CO)C1 70567211 343493279 /nfs/dbraw/zinc/49/32/79/343493279.db2.gz QWKAECQQIDRAQA-SDDRHHMPSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1CCC[C@@H]([N@H+]2CCC[C@@H]2CO)C1 70567212 343493359 /nfs/dbraw/zinc/49/33/59/343493359.db2.gz QWKAECQQIDRAQA-IJLUTSLNSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1CCC[C@@H]([N@H+]2CCC[C@@H]2CO)C1 70567213 343493446 /nfs/dbraw/zinc/49/34/46/343493446.db2.gz QWKAECQQIDRAQA-QJPTWQEYSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[N@@H+](C)Cc1ccc(N)c(Cl)c1 70602355 343501101 /nfs/dbraw/zinc/50/11/01/343501101.db2.gz OPKSVPXEYBLFRN-UHFFFAOYSA-N 1 1 198.697 2.374 10 0 AEAEMO CC[N@@H+](C)Cc1cc(C)ccc1N 70601676 343501121 /nfs/dbraw/zinc/50/11/21/343501121.db2.gz FCVCWJDEHLHNTF-UHFFFAOYSA-N 1 1 178.279 2.029 10 0 AEAEMO Cc1ccc(N)c(C[N@H+](C)C(C)C)c1 70601672 343501479 /nfs/dbraw/zinc/50/14/79/343501479.db2.gz VSILQECPCFAOPM-UHFFFAOYSA-N 1 1 192.306 2.417 10 0 AEAEMO CC(C)Nc1[nH+]c2ccccc2n1C 70609086 343501633 /nfs/dbraw/zinc/50/16/33/343501633.db2.gz FPGWWOGXWXKQEV-UHFFFAOYSA-N 1 1 189.262 2.394 10 0 AEAEMO CC(C)(C)[C@H]1CCC[N@@H+](CCN)CC1 70612908 343502404 /nfs/dbraw/zinc/50/24/04/343502404.db2.gz BOUSHNAVPHDFOT-NSHDSACASA-N 1 1 198.354 2.093 10 0 AEAEMO CC(C)(C)[C@H]1CCCN(CC[NH3+])CC1 70612908 343502405 /nfs/dbraw/zinc/50/24/05/343502405.db2.gz BOUSHNAVPHDFOT-NSHDSACASA-N 1 1 198.354 2.093 10 0 AEAEMO CC(C)(C)[C@@H]1CCC[N@@H+](CCN)CC1 70612907 343502426 /nfs/dbraw/zinc/50/24/26/343502426.db2.gz BOUSHNAVPHDFOT-LLVKDONJSA-N 1 1 198.354 2.093 10 0 AEAEMO CC(C)(C)[C@@H]1CCCN(CC[NH3+])CC1 70612907 343502427 /nfs/dbraw/zinc/50/24/27/343502427.db2.gz BOUSHNAVPHDFOT-LLVKDONJSA-N 1 1 198.354 2.093 10 0 AEAEMO CC[C@@H]1CCC[N@H+]([C@@H](C)C(C)=O)CC1 70613763 343503001 /nfs/dbraw/zinc/50/30/01/343503001.db2.gz UKPFSNWQKYVJQM-CMPLNLGQSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(C)(C)N(C)c1[nH+]cccc1N 70621616 343504986 /nfs/dbraw/zinc/50/49/86/343504986.db2.gz PHHPQFBLOLHPNV-UHFFFAOYSA-N 1 1 193.294 2.289 10 0 AEAEMO CCC[N@@H+](C)[C@@H]1CC(C)(C)CC[C@@H]1N 70653990 343519918 /nfs/dbraw/zinc/51/99/18/343519918.db2.gz GDNHOLUOPXFOSW-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCN(C)[C@@H]1CC(C)(C)CC[C@@H]1[NH3+] 70653990 343519921 /nfs/dbraw/zinc/51/99/21/343519921.db2.gz GDNHOLUOPXFOSW-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+](C)[C@H]1CC(C)(C)CC[C@@H]1N 70653991 343519980 /nfs/dbraw/zinc/51/99/80/343519980.db2.gz GDNHOLUOPXFOSW-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCN(C)[C@H]1CC(C)(C)CC[C@@H]1[NH3+] 70653991 343519981 /nfs/dbraw/zinc/51/99/81/343519981.db2.gz GDNHOLUOPXFOSW-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[N@@H+](C)[C@@H]1CC(C)(C)CC[C@@H]1O 70654712 343520340 /nfs/dbraw/zinc/52/03/40/343520340.db2.gz ZIOCOGFEAFJRGK-MNOVXSKESA-N 1 1 199.338 2.266 10 0 AEAEMO CCC[N@@H+](C)[C@H]1CC(C)(C)CC[C@@H]1O 70654737 343520418 /nfs/dbraw/zinc/52/04/18/343520418.db2.gz HWEMSMRCQXADLX-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@@H+](C)C1(CN)CCC(C)(C)CC1 70654425 343520423 /nfs/dbraw/zinc/52/04/23/343520423.db2.gz DQODOZNVWTYLML-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CCN(C)C1(C[NH3+])CCC(C)(C)CC1 70654425 343520425 /nfs/dbraw/zinc/52/04/25/343520425.db2.gz DQODOZNVWTYLML-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[N@@H+](C)C[C@H]1CC(C)(C)CCC1=O 70655060 343520692 /nfs/dbraw/zinc/52/06/92/343520692.db2.gz WIXIKAYVUHRTIK-SNVBAGLBSA-N 1 1 197.322 2.334 10 0 AEAEMO CC[N@@H+](C)C[C@@H]1CC(C)(C)CCC1=O 70655059 343520703 /nfs/dbraw/zinc/52/07/03/343520703.db2.gz WIXIKAYVUHRTIK-JTQLQIEISA-N 1 1 197.322 2.334 10 0 AEAEMO CC1(C)CCC([N@@H+]2CCC(=O)C2)CC1 70655358 343520719 /nfs/dbraw/zinc/52/07/19/343520719.db2.gz YKWUCWOBVZEUFN-UHFFFAOYSA-N 1 1 195.306 2.230 10 0 AEAEMO CC1(C)CCC([N@H+]2CCC(=O)C2)CC1 70655358 343520721 /nfs/dbraw/zinc/52/07/21/343520721.db2.gz YKWUCWOBVZEUFN-UHFFFAOYSA-N 1 1 195.306 2.230 10 0 AEAEMO CCc1[nH+]ccn1-c1ccc(O)cc1 70675470 343523448 /nfs/dbraw/zinc/52/34/48/343523448.db2.gz JQZPTIWPVFCHJJ-UHFFFAOYSA-N 1 1 188.230 2.140 10 0 AEAEMO CCc1[nH+]ccn1-c1ccccc1O 70675467 343523455 /nfs/dbraw/zinc/52/34/55/343523455.db2.gz TXMJWUXGQIZMQI-UHFFFAOYSA-N 1 1 188.230 2.140 10 0 AEAEMO Cc1[nH+]cn(-c2cccc(O)c2)c1C 70675377 343523496 /nfs/dbraw/zinc/52/34/96/343523496.db2.gz QIZVVFKGISWBHG-UHFFFAOYSA-N 1 1 188.230 2.195 10 0 AEAEMO CC[N@@H+](C)[C@@]1(CN)CCCC(C)(C)C1 70683720 343524312 /nfs/dbraw/zinc/52/43/12/343524312.db2.gz TZVFEMZBEGECBN-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[N@@H+](C)[C@]1(CN)CCCC(C)(C)C1 70683717 343524443 /nfs/dbraw/zinc/52/44/43/343524443.db2.gz TZVFEMZBEGECBN-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@H]1CC(=O)CC[N@@H+]1[C@@H]1CCC[C@H]1C 70832058 343534804 /nfs/dbraw/zinc/53/48/04/343534804.db2.gz YUESDBYIDVQDTR-JFGNBEQYSA-N 1 1 195.306 2.228 10 0 AEAEMO CC[C@H](C)[C@H]1C[N@@H+](C(C)C)[C@H](C)CN1 71353668 343551720 /nfs/dbraw/zinc/55/17/20/343551720.db2.gz PSADAUQHOBHJAZ-QJPTWQEYSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H](C)[C@H]1CN(C(C)C)[C@H](C)C[NH2+]1 71353668 343551725 /nfs/dbraw/zinc/55/17/25/343551725.db2.gz PSADAUQHOBHJAZ-QJPTWQEYSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H](C)[C@@H]1C[N@@H+](C(C)C)[C@H](C)CN1 71353664 343551750 /nfs/dbraw/zinc/55/17/50/343551750.db2.gz PSADAUQHOBHJAZ-TUAOUCFPSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H](C)[C@@H]1CN(C(C)C)[C@H](C)C[NH2+]1 71353664 343551753 /nfs/dbraw/zinc/55/17/53/343551753.db2.gz PSADAUQHOBHJAZ-TUAOUCFPSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[N@H+]1C[C@](C)(CC)NC[C@@]1(C)CC 71357664 343551790 /nfs/dbraw/zinc/55/17/90/343551790.db2.gz QVHYCAGJNWEUER-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCN1C[C@](C)(CC)[NH2+]C[C@@]1(C)CC 71357664 343551792 /nfs/dbraw/zinc/55/17/92/343551792.db2.gz QVHYCAGJNWEUER-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[N@H+]1C[C@@](C)(CC)NC[C@]1(C)CC 71357667 343552325 /nfs/dbraw/zinc/55/23/25/343552325.db2.gz QVHYCAGJNWEUER-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CCN1C[C@@](C)(CC)[NH2+]C[C@]1(C)CC 71357667 343552327 /nfs/dbraw/zinc/55/23/27/343552327.db2.gz QVHYCAGJNWEUER-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H]1CNC2(CCCCC2)C[N@@H+]1C 71359450 343552430 /nfs/dbraw/zinc/55/24/30/343552430.db2.gz RQLJXYQFQSNBSV-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H]1CNC2(CCCCC2)C[N@H+]1C 71359450 343552432 /nfs/dbraw/zinc/55/24/32/343552432.db2.gz RQLJXYQFQSNBSV-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H]1CNC2(CCCC2)C[N@H+]1CC 71358279 343552450 /nfs/dbraw/zinc/55/24/50/343552450.db2.gz DKBKHQJIDMKQEV-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H]1C[NH2+]C2(CCCC2)CN1CC 71358279 343552452 /nfs/dbraw/zinc/55/24/52/343552452.db2.gz DKBKHQJIDMKQEV-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[N@@H+]1CC2(CCCCC2)NC[C@H]1C 71359258 343552501 /nfs/dbraw/zinc/55/25/01/343552501.db2.gz YSDWHZNWYRQKFK-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[N@H+]1CC2(CCCCC2)NC[C@H]1C 71359258 343552504 /nfs/dbraw/zinc/55/25/04/343552504.db2.gz YSDWHZNWYRQKFK-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[N@H+]1C[C@@](C)(CC)NC[C@@]1(C)CC 71357666 343552508 /nfs/dbraw/zinc/55/25/08/343552508.db2.gz QVHYCAGJNWEUER-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO CCN1C[C@@](C)(CC)[NH2+]C[C@@]1(C)CC 71357666 343552511 /nfs/dbraw/zinc/55/25/11/343552511.db2.gz QVHYCAGJNWEUER-VXGBXAGGSA-N 1 1 198.354 2.249 10 0 AEAEMO C[N@H+]1CCC[C@@H]1c1ccccc1N 71494100 343554023 /nfs/dbraw/zinc/55/40/23/343554023.db2.gz CDDRELKVMNWUFP-LLVKDONJSA-N 1 1 176.263 2.036 10 0 AEAEMO C[N@H+]1CCC[C@@H]1c1ccc(N)cc1 71494104 343554031 /nfs/dbraw/zinc/55/40/31/343554031.db2.gz CIYLDWFAOSBJSA-LLVKDONJSA-N 1 1 176.263 2.036 10 0 AEAEMO C[N@H+]1CCC[C@H]1c1ccccc1N 71494101 343554063 /nfs/dbraw/zinc/55/40/63/343554063.db2.gz CDDRELKVMNWUFP-NSHDSACASA-N 1 1 176.263 2.036 10 0 AEAEMO C[N@H+]1CCC[C@H]1c1cccc(N)c1 71494103 343554085 /nfs/dbraw/zinc/55/40/85/343554085.db2.gz FZIQVBYMQUCONZ-NSHDSACASA-N 1 1 176.263 2.036 10 0 AEAEMO C[N@H+]1CCC[C@@H]1c1cccc(N)c1 71494102 343554212 /nfs/dbraw/zinc/55/42/12/343554212.db2.gz FZIQVBYMQUCONZ-LLVKDONJSA-N 1 1 176.263 2.036 10 0 AEAEMO CC(C)c1nc2cc(C[NH3+])ccc2[nH]1 71500405 343555288 /nfs/dbraw/zinc/55/52/88/343555288.db2.gz HQIBDOQAOZLDNZ-UHFFFAOYSA-N 1 1 189.262 2.145 10 0 AEAEMO C[C@H]1C[N@H+](C2CCCCCC2)CCN1 71507416 343555854 /nfs/dbraw/zinc/55/58/54/343555854.db2.gz NSSWUXFOCLRMID-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO C[NH+](C)C=Cc1ccc2[nH]ccc2n1 71973295 343559208 /nfs/dbraw/zinc/55/92/08/343559208.db2.gz HOKDJLWMNKIEOQ-SOFGYWHQSA-N 1 1 187.246 2.095 10 0 AEAEMO C[N@H+]1CCC[C@@H](c2ccc(N)cc2)C1 75906216 343578632 /nfs/dbraw/zinc/57/86/32/343578632.db2.gz CGIQVJDRLWRQEU-LLVKDONJSA-N 1 1 190.290 2.078 10 0 AEAEMO C[N@H+]1CCC[C@H](c2ccc(N)cc2)C1 75906214 343578921 /nfs/dbraw/zinc/57/89/21/343578921.db2.gz CGIQVJDRLWRQEU-NSHDSACASA-N 1 1 190.290 2.078 10 0 AEAEMO Cc1[nH]ncc1C[NH2+]C[C@H](C)C(C)C 81047456 343592402 /nfs/dbraw/zinc/59/24/02/343592402.db2.gz NEXINSNGVLCIFG-VIFPVBQESA-N 1 1 195.310 2.100 10 0 AEAEMO Cc1[nH]ncc1C[NH2+]C[C@@H](C)C(C)C 81047453 343592614 /nfs/dbraw/zinc/59/26/14/343592614.db2.gz NEXINSNGVLCIFG-SECBINFHSA-N 1 1 195.310 2.100 10 0 AEAEMO CC[C@H](C)c1ccc(N)[nH+]c1 82408370 343602691 /nfs/dbraw/zinc/60/26/91/343602691.db2.gz UCVHBDLBWYVDRW-ZETCQYMHSA-N 1 1 150.225 2.177 10 0 AEAEMO Cc1[nH+]c(N)[nH]c1-c1ccc(F)cc1 82530395 343605796 /nfs/dbraw/zinc/60/57/96/343605796.db2.gz IIQIIHWZKJBXSA-UHFFFAOYSA-N 1 1 191.209 2.106 10 0 AEAEMO CC(C)(O)C[N@H+]1CCCC(C)(C)CC1 83680914 343623058 /nfs/dbraw/zinc/62/30/58/343623058.db2.gz HIJUNLSUZOYLBR-UHFFFAOYSA-N 1 1 199.338 2.269 10 0 AEAEMO OCCC[C@H]1CCC[N@H+]1CC1CCC1 83841933 343625505 /nfs/dbraw/zinc/62/55/05/343625505.db2.gz RSPWVISJUGBHBU-GFCCVEGCSA-N 1 1 197.322 2.023 10 0 AEAEMO OCCC[C@@H]1CCC[N@H+]1CC1CCC1 83841934 343625606 /nfs/dbraw/zinc/62/56/06/343625606.db2.gz RSPWVISJUGBHBU-LBPRGKRZSA-N 1 1 197.322 2.023 10 0 AEAEMO OCCC[C@H]1CCC[N@H+]1CCC1CC1 83939932 343628273 /nfs/dbraw/zinc/62/82/73/343628273.db2.gz MZAUVHYQQDRNSR-GFCCVEGCSA-N 1 1 197.322 2.023 10 0 AEAEMO OCCC[C@@H]1CCC[N@H+]1CCC1CC1 83939935 343628394 /nfs/dbraw/zinc/62/83/94/343628394.db2.gz MZAUVHYQQDRNSR-LBPRGKRZSA-N 1 1 197.322 2.023 10 0 AEAEMO C[C@H]1CC[C@@H](C)[N@@H+](CCCCCO)C1 84050533 343629811 /nfs/dbraw/zinc/62/98/11/343629811.db2.gz OYFGQFZCRJULAR-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO C[C@H]1CC[C@@H](C)C[N@@H+]1CCCCCO 84050519 343630020 /nfs/dbraw/zinc/63/00/20/343630020.db2.gz OYFGQFZCRJULAR-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CCNc1cc[nH+]cc1Cl 86778397 343655069 /nfs/dbraw/zinc/65/50/69/343655069.db2.gz DCOFSLUXZCYIHG-UHFFFAOYSA-N 1 1 156.616 2.167 10 0 AEAEMO CCC[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 88023442 343666094 /nfs/dbraw/zinc/66/60/94/343666094.db2.gz ILYPMRLVQDZQFX-NEPJUHHUSA-N 1 1 197.322 2.023 10 0 AEAEMO CCC[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 88023441 343666191 /nfs/dbraw/zinc/66/61/91/343666191.db2.gz ILYPMRLVQDZQFX-VXGBXAGGSA-N 1 1 197.322 2.023 10 0 AEAEMO CC(C)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 88023397 343666236 /nfs/dbraw/zinc/66/62/36/343666236.db2.gz LYVXCEJWVKPFFK-VXGBXAGGSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 88023398 343666250 /nfs/dbraw/zinc/66/62/50/343666250.db2.gz LYVXCEJWVKPFFK-NEPJUHHUSA-N 1 1 197.322 2.022 10 0 AEAEMO Cc1c[nH+]c2cc(Cl)ccn12 89202065 343672917 /nfs/dbraw/zinc/67/29/17/343672917.db2.gz IVWWUYHTCLDWKJ-UHFFFAOYSA-N 1 1 166.611 2.296 10 0 AEAEMO CCc1cn2cc[nH+]c2cc1C 89202430 343672990 /nfs/dbraw/zinc/67/29/90/343672990.db2.gz MFMYPCLIHJRHMY-UHFFFAOYSA-N 1 1 160.220 2.205 10 0 AEAEMO Cc1cn2c([nH]c3ccccc32)[nH+]1 95922583 343690131 /nfs/dbraw/zinc/69/01/31/343690131.db2.gz PTXVCEQCTFGQOR-UHFFFAOYSA-N 1 1 171.203 2.124 10 0 AEAEMO CCc1ccc2[nH+]c3n(c2c1)CCN3 95921980 343690236 /nfs/dbraw/zinc/69/02/36/343690236.db2.gz UFBFPROTMWMPEG-UHFFFAOYSA-N 1 1 187.246 2.024 10 0 AEAEMO C[C@H]1[C@@H](C)Nc2cccc3[nH+]cn1c23 95924540 343690872 /nfs/dbraw/zinc/69/08/72/343690872.db2.gz GUABDQAYYTUTIN-SFYZADRCSA-N 1 1 187.246 2.411 10 0 AEAEMO Cc1c[nH+]cc2c(F)c[nH]c12 96320876 343696032 /nfs/dbraw/zinc/69/60/32/343696032.db2.gz QEWMDCLWEHBHLJ-UHFFFAOYSA-N 1 1 150.156 2.010 10 0 AEAEMO Cc1ccc(NCC(F)F)[nH+]c1 98000810 343704304 /nfs/dbraw/zinc/70/43/04/343704304.db2.gz YLWGGQFJKYHGNM-UHFFFAOYSA-N 1 1 172.178 2.067 10 0 AEAEMO CCC1=C[N@@H+](C)C=CC1 100095202 343710880 /nfs/dbraw/zinc/71/08/80/343710880.db2.gz HSWOLWFFOGBKCA-UHFFFAOYSA-N 1 1 123.199 2.130 10 0 AEAEMO C[C@H]1[NH2+]C=Cc2ccsc21 100290450 343714778 /nfs/dbraw/zinc/71/47/78/343714778.db2.gz LQKJXDMRVCRIHY-ZCFIWIBFSA-N 1 1 151.234 2.383 10 0 AEAEMO CCOC(=[NH2+])C(C)(C)C 100636517 343719249 /nfs/dbraw/zinc/71/92/49/343719249.db2.gz NOIYXBJLQAJGHF-UHFFFAOYSA-N 1 1 129.203 2.046 10 0 AEAEMO Cc1ccc2[nH+]c3c(n2c1)CCC3 105737311 343737200 /nfs/dbraw/zinc/73/72/00/343737200.db2.gz KRMDTZWHRITUQB-UHFFFAOYSA-N 1 1 172.231 2.131 10 0 AEAEMO Cc1cccc2[nH+]c3c(n12)CCC3 105737223 343737220 /nfs/dbraw/zinc/73/72/20/343737220.db2.gz YGCOSRBTILHUHO-UHFFFAOYSA-N 1 1 172.231 2.131 10 0 AEAEMO CC(=O)c1ccc(C[NH+](C)C)s1 107129747 343743173 /nfs/dbraw/zinc/74/31/73/343743173.db2.gz UZIFYYCBUBWCFQ-UHFFFAOYSA-N 1 1 183.276 2.012 10 0 AEAEMO c1c[nH+]c2c(c1)NCC[C@@H](C1CC1)N2 107134095 343743817 /nfs/dbraw/zinc/74/38/17/343743817.db2.gz QLXXKOISKJUSQR-VIFPVBQESA-N 1 1 189.262 2.088 10 0 AEAEMO CC(C)[C@H]1CCNc2ccc[nH+]c2N1 107135398 343743864 /nfs/dbraw/zinc/74/38/64/343743864.db2.gz QNNYCOPZEMQHKX-SECBINFHSA-N 1 1 191.278 2.334 10 0 AEAEMO c1c[nH+]c2c(c1)NCC[C@H](C1CC1)N2 107134096 343743908 /nfs/dbraw/zinc/74/39/08/343743908.db2.gz QLXXKOISKJUSQR-SECBINFHSA-N 1 1 189.262 2.088 10 0 AEAEMO CC(C)CC[C@]1(O)CC[N@@H+](C)[C@@H](C)C1 107142742 343744449 /nfs/dbraw/zinc/74/44/49/343744449.db2.gz NNCBVRHLTREIKF-RYUDHWBXSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)CC[C@@]1(O)CC[N@@H+](C)[C@@H](C)C1 107142748 343744517 /nfs/dbraw/zinc/74/45/17/343744517.db2.gz NNCBVRHLTREIKF-NWDGAFQWSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)CC[C@@]1(O)CC[N@@H+](C)[C@H](C)C1 107142745 343744572 /nfs/dbraw/zinc/74/45/72/343744572.db2.gz NNCBVRHLTREIKF-VXGBXAGGSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)CC[C@]1(O)CC[N@@H+](C)[C@H](C)C1 107142739 343744591 /nfs/dbraw/zinc/74/45/91/343744591.db2.gz NNCBVRHLTREIKF-NEPJUHHUSA-N 1 1 199.338 2.268 10 0 AEAEMO [NH3+]CC(=O)c1cccc(C2CCC2)c1 107174507 343746977 /nfs/dbraw/zinc/74/69/77/343746977.db2.gz NLAWVMSXBMXUEY-UHFFFAOYSA-N 1 1 189.258 2.096 10 0 AEAEMO CC[N@@H+](C)Cc1ccc(F)cc1 113248512 343757776 /nfs/dbraw/zinc/75/77/76/343757776.db2.gz DIABMCLVHYTCGC-UHFFFAOYSA-N 1 1 167.227 2.277 10 0 AEAEMO C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 113405384 343758657 /nfs/dbraw/zinc/75/86/57/343758657.db2.gz MMCXKYPKYQMCRM-UWVGGRQHSA-N 1 1 153.269 2.128 10 0 AEAEMO CCCCC[N@@H+](C)C1CC1 116841293 343770983 /nfs/dbraw/zinc/77/09/83/343770983.db2.gz CXWZXSZDFUCSCI-UHFFFAOYSA-N 1 1 141.258 2.271 10 0 AEAEMO CC1=CN(c2ccccc2)CC=[NH+]1 117856725 343773763 /nfs/dbraw/zinc/77/37/63/343773763.db2.gz LVWJRUNOYMGMHH-UHFFFAOYSA-N 1 1 172.231 2.439 10 0 AEAEMO C[C@H]1C[C@H](Nc2ccsc2)C[N@H+]1C 126746732 343796358 /nfs/dbraw/zinc/79/63/58/343796358.db2.gz YICXTISXKOQPEZ-WPRPVWTQSA-N 1 1 196.319 2.253 10 0 AEAEMO C[C@H]1C[C@@H](Nc2ccsc2)C[N@H+]1C 126747139 343796772 /nfs/dbraw/zinc/79/67/72/343796772.db2.gz YICXTISXKOQPEZ-WCBMZHEXSA-N 1 1 196.319 2.253 10 0 AEAEMO C[C@@H]1C[C@@H](Nc2ccsc2)C[N@H+]1C 126746921 343796782 /nfs/dbraw/zinc/79/67/82/343796782.db2.gz YICXTISXKOQPEZ-PSASIEDQSA-N 1 1 196.319 2.253 10 0 AEAEMO C[C@@H]1C[C@H](Nc2ccsc2)C[N@H+]1C 126746512 343796842 /nfs/dbraw/zinc/79/68/42/343796842.db2.gz YICXTISXKOQPEZ-SCZZXKLOSA-N 1 1 196.319 2.253 10 0 AEAEMO C[N@@H+](C1CCC1)C1(CN)CCCCC1 127277900 343808907 /nfs/dbraw/zinc/80/89/07/343808907.db2.gz PWVIOWWSWUMLTO-UHFFFAOYSA-N 1 1 196.338 2.132 10 0 AEAEMO C[NH2+][C@H]1CCC[C@H]([N@@H+](C)C2CCC2)C1 127309952 343809625 /nfs/dbraw/zinc/80/96/25/343809625.db2.gz PNENASZSXZKRFE-JQWIXIFHSA-N 1 1 196.338 2.001 10 0 AEAEMO C[NH2+][C@@H]1CCC[C@@H]([N@@H+](C)C2CCC2)C1 127310203 343809862 /nfs/dbraw/zinc/80/98/62/343809862.db2.gz PNENASZSXZKRFE-ZYHUDNBSSA-N 1 1 196.338 2.001 10 0 AEAEMO C[NH2+][C@@H]1CCC[C@H]([N@@H+](C)C2CCC2)C1 127309728 343809878 /nfs/dbraw/zinc/80/98/78/343809878.db2.gz PNENASZSXZKRFE-PWSUYJOCSA-N 1 1 196.338 2.001 10 0 AEAEMO C[NH2+][C@H]1CCC[C@@H]([N@@H+](C)C2CCC2)C1 127310452 343809913 /nfs/dbraw/zinc/80/99/13/343809913.db2.gz PNENASZSXZKRFE-CMPLNLGQSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@]1(C[NH2+]C2CCCC2)CCCCN1 127358069 343810195 /nfs/dbraw/zinc/81/01/95/343810195.db2.gz NOEZXYGTFVPDNA-GFCCVEGCSA-N 1 1 196.338 2.051 10 0 AEAEMO C[C@@]1(C[NH2+]C2CCCC2)CCCCN1 127358298 343810574 /nfs/dbraw/zinc/81/05/74/343810574.db2.gz NOEZXYGTFVPDNA-LBPRGKRZSA-N 1 1 196.338 2.051 10 0 AEAEMO CCc1[nH]c2c([nH+]1)[C@@H](C)CCC2 127463202 343811517 /nfs/dbraw/zinc/81/15/17/343811517.db2.gz FTEXMRMJKRDQTO-ZETCQYMHSA-N 1 1 164.252 2.412 10 0 AEAEMO Cc1[nH]c2c([nH+]1)CCC[C@@H]2C 127464599 343811733 /nfs/dbraw/zinc/81/17/33/343811733.db2.gz GDKAPGMGFDSKQG-LURJTMIESA-N 1 1 150.225 2.158 10 0 AEAEMO C[C@@H]1C[C@@](O)(CCC(C)(C)C)C[N@H+]1C 127485247 343812173 /nfs/dbraw/zinc/81/21/73/343812173.db2.gz PXEAOTCGKPLVBX-PWSUYJOCSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H]1C[C@](O)(CCC(C)(C)C)C[N@H+]1C 127485066 343812257 /nfs/dbraw/zinc/81/22/57/343812257.db2.gz PXEAOTCGKPLVBX-CMPLNLGQSA-N 1 1 199.338 2.268 10 0 AEAEMO CCc1[nH]c2c([nH+]1)C[C@@H](C)[C@@H](C)C2 127493454 343812295 /nfs/dbraw/zinc/81/22/95/343812295.db2.gz XDVUYUVDTMNIOV-OCAPTIKFSA-N 1 1 178.279 2.343 10 0 AEAEMO C[C@@H]1C[C@](O)(CCC(C)(C)C)C[N@H+]1C 127484868 343812459 /nfs/dbraw/zinc/81/24/59/343812459.db2.gz PXEAOTCGKPLVBX-ZYHUDNBSSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H]1C[C@@](O)(CCC(C)(C)C)C[N@H+]1C 127485476 343812561 /nfs/dbraw/zinc/81/25/61/343812561.db2.gz PXEAOTCGKPLVBX-JQWIXIFHSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H]1C[C@@](O)(C2CCCCC2)C[N@H+]1C 127529228 343813026 /nfs/dbraw/zinc/81/30/26/343813026.db2.gz QCOUABDBPSNENC-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1C[C@](O)(CC2CCCC2)C[N@H+]1C 127545585 343813106 /nfs/dbraw/zinc/81/31/06/343813106.db2.gz DAVWTAZWSYTXTP-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1C[C@](O)(C2CCCCC2)C[N@H+]1C 127528759 343813169 /nfs/dbraw/zinc/81/31/69/343813169.db2.gz QCOUABDBPSNENC-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1C[C@@](O)(C2CCCCC2)C[N@H+]1C 127529419 343813176 /nfs/dbraw/zinc/81/31/76/343813176.db2.gz QCOUABDBPSNENC-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1C[C@@](O)(CC2CCCC2)C[N@H+]1C 127546055 343813227 /nfs/dbraw/zinc/81/32/27/343813227.db2.gz DAVWTAZWSYTXTP-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO CCc1[nH]c2c([nH+]1)CC[C@@H](CC)C2 127547442 343813249 /nfs/dbraw/zinc/81/32/49/343813249.db2.gz YSVSWRVMKJTALX-MRVPVSSYSA-N 1 1 178.279 2.487 10 0 AEAEMO CCc1[nH]c2c([nH+]1)CC[C@H](CC)C2 127547667 343813293 /nfs/dbraw/zinc/81/32/93/343813293.db2.gz YSVSWRVMKJTALX-QMMMGPOBSA-N 1 1 178.279 2.487 10 0 AEAEMO C[C@@H]1C[C@@](O)(CC2CCCC2)C[N@H+]1C 127545841 343813509 /nfs/dbraw/zinc/81/35/09/343813509.db2.gz DAVWTAZWSYTXTP-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H]1CCNc2ccc[nH+]c2N1 128072961 343824184 /nfs/dbraw/zinc/82/41/84/343824184.db2.gz JVAYAKJQIWIUEH-MRVPVSSYSA-N 1 1 177.251 2.088 10 0 AEAEMO C[C@@H]1CC[C@H](Nc2ccc(N)[nH+]c2)C1 128295130 343828018 /nfs/dbraw/zinc/82/80/18/343828018.db2.gz DIDYSTNVHQVZOD-BDAKNGLRSA-N 1 1 191.278 2.264 10 0 AEAEMO C[C@H]1CC[C@@H](Nc2ccc(N)[nH+]c2)C1 128295755 343828089 /nfs/dbraw/zinc/82/80/89/343828089.db2.gz DIDYSTNVHQVZOD-DTWKUNHWSA-N 1 1 191.278 2.264 10 0 AEAEMO C[C@H]1CC[C@H](Nc2ccc(N)[nH+]c2)C1 128295319 343828351 /nfs/dbraw/zinc/82/83/51/343828351.db2.gz DIDYSTNVHQVZOD-IUCAKERBSA-N 1 1 191.278 2.264 10 0 AEAEMO C[C@@H]1CC[C@@H](Nc2ccc(N)[nH+]c2)C1 128295530 343828363 /nfs/dbraw/zinc/82/83/63/343828363.db2.gz DIDYSTNVHQVZOD-RKDXNWHRSA-N 1 1 191.278 2.264 10 0 AEAEMO C[C@@H](CO)C[N@@H+](C)CC1CCCCC1 128369368 343829883 /nfs/dbraw/zinc/82/98/83/343829883.db2.gz HGICYULPUNYBFN-LLVKDONJSA-N 1 1 199.338 2.127 10 0 AEAEMO CC(C)(C)C[N@H+]1CCC[C@](C)(CO)C1 128410852 343830777 /nfs/dbraw/zinc/83/07/77/343830777.db2.gz AQKFTIBQAWFGNI-LBPRGKRZSA-N 1 1 199.338 2.127 10 0 AEAEMO CC[C@]1(C)CNc2ccc[nH+]c2NC1 128460336 343831988 /nfs/dbraw/zinc/83/19/88/343831988.db2.gz DSWOLIJMLSSUNL-LLVKDONJSA-N 1 1 191.278 2.335 10 0 AEAEMO CC[C@@]1(C)CNc2ccc[nH+]c2NC1 128460546 343832270 /nfs/dbraw/zinc/83/22/70/343832270.db2.gz DSWOLIJMLSSUNL-NSHDSACASA-N 1 1 191.278 2.335 10 0 AEAEMO CCC[C@H]1CCNc2ccc[nH+]c2N1 128758997 343836619 /nfs/dbraw/zinc/83/66/19/343836619.db2.gz LXYCTBJLPUCRJK-VIFPVBQESA-N 1 1 191.278 2.478 10 0 AEAEMO CCC[C@@H]1CCNc2ccc[nH+]c2N1 128758758 343836965 /nfs/dbraw/zinc/83/69/65/343836965.db2.gz LXYCTBJLPUCRJK-SECBINFHSA-N 1 1 191.278 2.478 10 0 AEAEMO C[N@H+]1CC[C@@](O)(C2CCCCCC2)C1 129310845 343848081 /nfs/dbraw/zinc/84/80/81/343848081.db2.gz CCISLPHCCPUWBY-LBPRGKRZSA-N 1 1 197.322 2.023 10 0 AEAEMO C[N@H+]1CC[C@](O)(C2CCCCCC2)C1 129310621 343848277 /nfs/dbraw/zinc/84/82/77/343848277.db2.gz CCISLPHCCPUWBY-GFCCVEGCSA-N 1 1 197.322 2.023 10 0 AEAEMO Cc1ccc2c(c1)[C@]([NH3+])(C(F)F)CC2 129452509 343850424 /nfs/dbraw/zinc/85/04/24/343850424.db2.gz IABPPHKGWGSPIF-NSHDSACASA-N 1 1 197.228 2.360 10 0 AEAEMO Cc1ccc2c(c1)[C@@]([NH3+])(C(F)F)CC2 129452731 343850649 /nfs/dbraw/zinc/85/06/49/343850649.db2.gz IABPPHKGWGSPIF-LLVKDONJSA-N 1 1 197.228 2.360 10 0 AEAEMO C1CCC([NH2+][C@H]2CCCCNC2)CC1 129805543 343856491 /nfs/dbraw/zinc/85/64/91/343856491.db2.gz LPSCCNJTUNAMBR-LBPRGKRZSA-N 1 1 196.338 2.051 10 0 AEAEMO C1CCC([NH2+][C@@H]2CCCCNC2)CC1 129805336 343856582 /nfs/dbraw/zinc/85/65/82/343856582.db2.gz LPSCCNJTUNAMBR-GFCCVEGCSA-N 1 1 196.338 2.051 10 0 AEAEMO CC[C@]1(C)CNCC[N@H+]1C1CCCC1 129940456 343859417 /nfs/dbraw/zinc/85/94/17/343859417.db2.gz NNXYFPJNJCAUBM-GFCCVEGCSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@@]1(C)CNCC[N@H+]1C1CCCC1 129940688 343859572 /nfs/dbraw/zinc/85/95/72/343859572.db2.gz NNXYFPJNJCAUBM-LBPRGKRZSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@@H]1Cc2[nH]cnc2[C@H](C)C1 131143831 343880628 /nfs/dbraw/zinc/88/06/28/343880628.db2.gz WENBHQGOVIMCBA-NKWVEPMBSA-N 1 1 150.225 2.096 10 0 AEAEMO C[C@@H]1Cc2[nH]c[nH+]c2[C@H](C)C1 131143831 343880630 /nfs/dbraw/zinc/88/06/30/343880630.db2.gz WENBHQGOVIMCBA-NKWVEPMBSA-N 1 1 150.225 2.096 10 0 AEAEMO C[C@@H]1Cc2[nH+]c[nH]c2[C@H](C)C1 131143831 343880633 /nfs/dbraw/zinc/88/06/33/343880633.db2.gz WENBHQGOVIMCBA-NKWVEPMBSA-N 1 1 150.225 2.096 10 0 AEAEMO C[C@H]1C[C@@H](C)Cc2[nH]cnc21 131144477 343880671 /nfs/dbraw/zinc/88/06/71/343880671.db2.gz WENBHQGOVIMCBA-RQJHMYQMSA-N 1 1 150.225 2.096 10 0 AEAEMO C[C@H]1C[C@@H](C)Cc2[nH]c[nH+]c21 131144477 343880673 /nfs/dbraw/zinc/88/06/73/343880673.db2.gz WENBHQGOVIMCBA-RQJHMYQMSA-N 1 1 150.225 2.096 10 0 AEAEMO C[C@H]1C[C@@H](C)Cc2[nH+]c[nH]c21 131144477 343880674 /nfs/dbraw/zinc/88/06/74/343880674.db2.gz WENBHQGOVIMCBA-RQJHMYQMSA-N 1 1 150.225 2.096 10 0 AEAEMO C[C@H]1Cc2[nH]cnc2[C@H](C)C1 131144050 343880703 /nfs/dbraw/zinc/88/07/03/343880703.db2.gz WENBHQGOVIMCBA-RNFRBKRXSA-N 1 1 150.225 2.096 10 0 AEAEMO C[C@H]1Cc2[nH]c[nH+]c2[C@H](C)C1 131144050 343880704 /nfs/dbraw/zinc/88/07/04/343880704.db2.gz WENBHQGOVIMCBA-RNFRBKRXSA-N 1 1 150.225 2.096 10 0 AEAEMO C[C@H]1Cc2[nH+]c[nH]c2[C@H](C)C1 131144050 343880706 /nfs/dbraw/zinc/88/07/06/343880706.db2.gz WENBHQGOVIMCBA-RNFRBKRXSA-N 1 1 150.225 2.096 10 0 AEAEMO C[C@@H]1Cc2[nH]cnc2[C@@H](C)C1 131144247 343880803 /nfs/dbraw/zinc/88/08/03/343880803.db2.gz WENBHQGOVIMCBA-BQBZGAKWSA-N 1 1 150.225 2.096 10 0 AEAEMO C[C@@H]1Cc2[nH]c[nH+]c2[C@@H](C)C1 131144247 343880805 /nfs/dbraw/zinc/88/08/05/343880805.db2.gz WENBHQGOVIMCBA-BQBZGAKWSA-N 1 1 150.225 2.096 10 0 AEAEMO C[C@@H]1Cc2[nH+]c[nH]c2[C@@H](C)C1 131144247 343880807 /nfs/dbraw/zinc/88/08/07/343880807.db2.gz WENBHQGOVIMCBA-BQBZGAKWSA-N 1 1 150.225 2.096 10 0 AEAEMO C[NH2+][C@H](C=C(C)C)c1ncccc1F 131475194 343885685 /nfs/dbraw/zinc/88/56/85/343885685.db2.gz ZARADJPDXZVDED-SNVBAGLBSA-N 1 1 194.253 2.447 10 0 AEAEMO CC(C)(C)SC(F)(F)C[NH3+] 131747432 343888113 /nfs/dbraw/zinc/88/81/13/343888113.db2.gz KWILUDWGGHSSFL-UHFFFAOYSA-N 1 1 169.240 2.070 10 0 AEAEMO Cc1ccc(C(F)(F)C[NH3+])cc1C 131745919 343888153 /nfs/dbraw/zinc/88/81/53/343888153.db2.gz FHUWUASBMOAPEY-UHFFFAOYSA-N 1 1 185.217 2.354 10 0 AEAEMO Cc1cc(C)cc(C(F)(F)C[NH3+])c1 131744778 343888159 /nfs/dbraw/zinc/88/81/59/343888159.db2.gz UOOFBGSTTQBBRC-UHFFFAOYSA-N 1 1 185.217 2.354 10 0 AEAEMO [NH3+]CC(F)(F)SC1CCCC1 131748325 343888273 /nfs/dbraw/zinc/88/82/73/343888273.db2.gz LHHNKQISDWXNOK-UHFFFAOYSA-N 1 1 181.251 2.214 10 0 AEAEMO CC[C@](C)(N)C[N@H+]1CC[C@H](C)[C@H](C)C1 132009199 343892190 /nfs/dbraw/zinc/89/21/90/343892190.db2.gz YQBGOOGZDZAQGX-TUAOUCFPSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@](C)([NH3+])CN1CC[C@H](C)[C@H](C)C1 132009199 343892191 /nfs/dbraw/zinc/89/21/91/343892191.db2.gz YQBGOOGZDZAQGX-TUAOUCFPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCc1[nH+]ccn1Cc1ccoc1 132070501 343893378 /nfs/dbraw/zinc/89/33/78/343893378.db2.gz AFULWACQTQMMEA-UHFFFAOYSA-N 1 1 176.219 2.087 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](C)C1 132092314 343893609 /nfs/dbraw/zinc/89/36/09/343893609.db2.gz UCFBUGQHKVCDSY-USZNOCQGSA-N 1 1 199.338 2.124 10 0 AEAEMO Cc1cc[nH+]c(NCC(F)F)c1 132125681 343894678 /nfs/dbraw/zinc/89/46/78/343894678.db2.gz RFKXVCVLEDZRIJ-UHFFFAOYSA-N 1 1 172.178 2.067 10 0 AEAEMO CC[N@@H+](C)[C@@H]1CCc2c(O)cccc21 132542153 343900067 /nfs/dbraw/zinc/90/00/67/343900067.db2.gz JQGQGXVFAHZWCH-LLVKDONJSA-N 1 1 191.274 2.331 10 0 AEAEMO CC[N@@H+](C)[C@H]1CCc2c(O)cccc21 132542281 343900206 /nfs/dbraw/zinc/90/02/06/343900206.db2.gz JQGQGXVFAHZWCH-NSHDSACASA-N 1 1 191.274 2.331 10 0 AEAEMO CC[N@@H+](C)Cc1ccc(O)c(Cl)c1 132548227 343900225 /nfs/dbraw/zinc/90/02/25/343900225.db2.gz NKVWYRMGVKNOSM-UHFFFAOYSA-N 1 1 199.681 2.497 10 0 AEAEMO C[NH2+][C@@H](C=C(C)C)c1ncc(C)cn1 132676294 343902603 /nfs/dbraw/zinc/90/26/03/343902603.db2.gz UFGFCEVQUJFDHC-JTQLQIEISA-N 1 1 191.278 2.012 10 0 AEAEMO CC(C)[N@H+]1CCc2c(N)csc2C1 132965758 343908838 /nfs/dbraw/zinc/90/88/38/343908838.db2.gz NUYLIAQFNQPNNG-UHFFFAOYSA-N 1 1 196.319 2.097 10 0 AEAEMO C[C@H](C[N@H+]1CCC(=O)C[C@H]1C)C1CC1 133098635 343911870 /nfs/dbraw/zinc/91/18/70/343911870.db2.gz AHKLKXISNOAGPC-NXEZZACHSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@H](C[N@H+]1CCC(=O)C[C@@H]1C)C1CC1 133098823 343912059 /nfs/dbraw/zinc/91/20/59/343912059.db2.gz AHKLKXISNOAGPC-ZJUUUORDSA-N 1 1 195.306 2.086 10 0 AEAEMO Cc1c[nH+]c(OC2CCCC2)cc1N 133326054 343915791 /nfs/dbraw/zinc/91/57/91/343915791.db2.gz KWRINNVLHYXNMN-UHFFFAOYSA-N 1 1 192.262 2.294 10 0 AEAEMO Cc1c[nH+]c(O[C@H](C)C(C)C)cc1N 133382781 343917614 /nfs/dbraw/zinc/91/76/14/343917614.db2.gz UZMQBNAONUFNBG-SECBINFHSA-N 1 1 194.278 2.396 10 0 AEAEMO Cc1c[nH+]c(O[C@@H](C)C(C)C)cc1N 133382557 343917862 /nfs/dbraw/zinc/91/78/62/343917862.db2.gz UZMQBNAONUFNBG-VIFPVBQESA-N 1 1 194.278 2.396 10 0 AEAEMO CCC[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2O)C1 133695133 343925101 /nfs/dbraw/zinc/92/51/01/343925101.db2.gz RATORCDQLKXHHY-UTUOFQBUSA-N 1 1 197.322 2.022 10 0 AEAEMO CCc1c[nH+]cn1-c1cccc(N)c1 133719425 343925709 /nfs/dbraw/zinc/92/57/09/343925709.db2.gz OFFLZIFPWHMRID-UHFFFAOYSA-N 1 1 187.246 2.017 10 0 AEAEMO Cc1ccc[nH+]c1N[C@@H]1CCSC1 134054197 343932820 /nfs/dbraw/zinc/93/28/20/343932820.db2.gz GFQIVVZRSVGRSI-SECBINFHSA-N 1 1 194.303 2.307 10 0 AEAEMO Cc1ccc[nH+]c1N[C@H]1CCSC1 134054391 343932965 /nfs/dbraw/zinc/93/29/65/343932965.db2.gz GFQIVVZRSVGRSI-VIFPVBQESA-N 1 1 194.303 2.307 10 0 AEAEMO C[N@H+]1CCC[C@@](O)(CC2CCCC2)C1 134131481 343934666 /nfs/dbraw/zinc/93/46/66/343934666.db2.gz CJMLNSLDNKZQAH-GFCCVEGCSA-N 1 1 197.322 2.023 10 0 AEAEMO O=C1CCC[N@H+](CC2CCCCC2)C1 134149590 343935025 /nfs/dbraw/zinc/93/50/25/343935025.db2.gz OXVRMLVZLVJSLM-UHFFFAOYSA-N 1 1 195.306 2.232 10 0 AEAEMO O=C1CCC[N@@H+](CC2CCCCC2)C1 134149590 343935029 /nfs/dbraw/zinc/93/50/29/343935029.db2.gz OXVRMLVZLVJSLM-UHFFFAOYSA-N 1 1 195.306 2.232 10 0 AEAEMO C[C@@H]1CCC[C@H]([N@@H+]2CCCC(=O)C2)C1 134172121 343935564 /nfs/dbraw/zinc/93/55/64/343935564.db2.gz RMVZIIKRTDRCAN-MNOVXSKESA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@@H]1CCC[C@H]([N@H+]2CCCC(=O)C2)C1 134172121 343935566 /nfs/dbraw/zinc/93/55/66/343935566.db2.gz RMVZIIKRTDRCAN-MNOVXSKESA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@@H]1CCC[C@@H]([N@@H+]2CCCC(=O)C2)C1 134172544 343935585 /nfs/dbraw/zinc/93/55/85/343935585.db2.gz RMVZIIKRTDRCAN-GHMZBOCLSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@@H]1CCC[C@@H]([N@H+]2CCCC(=O)C2)C1 134172544 343935587 /nfs/dbraw/zinc/93/55/87/343935587.db2.gz RMVZIIKRTDRCAN-GHMZBOCLSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@H]1CCC[C@@H]([N@@H+]2CCCC(=O)C2)C1 134172720 343935624 /nfs/dbraw/zinc/93/56/24/343935624.db2.gz RMVZIIKRTDRCAN-WDEREUQCSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@H]1CCC[C@@H]([N@H+]2CCCC(=O)C2)C1 134172720 343935625 /nfs/dbraw/zinc/93/56/25/343935625.db2.gz RMVZIIKRTDRCAN-WDEREUQCSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@H]1CCC[C@H]([N@@H+]2CCCC(=O)C2)C1 134172335 343935776 /nfs/dbraw/zinc/93/57/76/343935776.db2.gz RMVZIIKRTDRCAN-QWRGUYRKSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@H]1CCC[C@H]([N@H+]2CCCC(=O)C2)C1 134172335 343935777 /nfs/dbraw/zinc/93/57/77/343935777.db2.gz RMVZIIKRTDRCAN-QWRGUYRKSA-N 1 1 195.306 2.230 10 0 AEAEMO CC1CCC([N@@H+]2CCCC(=O)C2)CC1 134191572 343936148 /nfs/dbraw/zinc/93/61/48/343936148.db2.gz JQERKDNIEYHMBS-UHFFFAOYSA-N 1 1 195.306 2.230 10 0 AEAEMO CC1CCC([N@H+]2CCCC(=O)C2)CC1 134191572 343936150 /nfs/dbraw/zinc/93/61/50/343936150.db2.gz JQERKDNIEYHMBS-UHFFFAOYSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)(C)CC[N@@H+]1CCCC(=O)C1 134203286 343936353 /nfs/dbraw/zinc/93/63/53/343936353.db2.gz SUKRPHSJPACDII-UHFFFAOYSA-N 1 1 183.295 2.088 10 0 AEAEMO CC(C)(C)CC[N@H+]1CCCC(=O)C1 134203286 343936356 /nfs/dbraw/zinc/93/63/56/343936356.db2.gz SUKRPHSJPACDII-UHFFFAOYSA-N 1 1 183.295 2.088 10 0 AEAEMO C[C@H]1CCC[C@@H](C)[N@@H+]1CC(C)(C)CN 134201885 343936432 /nfs/dbraw/zinc/93/64/32/343936432.db2.gz ZZDDKJPLSYASHE-PHIMTYICSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]1CCC[C@@H](C)[N@H+]1CC(C)(C)CN 134201885 343936436 /nfs/dbraw/zinc/93/64/36/343936436.db2.gz ZZDDKJPLSYASHE-PHIMTYICSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]1CCC[C@@H](C)[N@H+]1C[C@@H](O)C1CC1 134211414 343937006 /nfs/dbraw/zinc/93/70/06/343937006.db2.gz WCXQSVZBQYXIRB-JFGNBEQYSA-N 1 1 197.322 2.020 10 0 AEAEMO CC[C@H]1CCCCC[N@H+]1C(C)(C)CN 134353609 343941211 /nfs/dbraw/zinc/94/12/11/343941211.db2.gz AFMZODKPLVOQJQ-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@@H]1CCCCC[N@H+]1C(C)(C)CN 134353588 343941269 /nfs/dbraw/zinc/94/12/69/343941269.db2.gz AFMZODKPLVOQJQ-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@H]1CCCCC[N@H+]1CC1(N)CC1 134366505 343941300 /nfs/dbraw/zinc/94/13/00/343941300.db2.gz APXVKKUPIBEQRQ-NSHDSACASA-N 1 1 196.338 2.132 10 0 AEAEMO CC[C@@H]1CCCCC[N@H+]1CC1(N)CC1 134366483 343941405 /nfs/dbraw/zinc/94/14/05/343941405.db2.gz APXVKKUPIBEQRQ-LLVKDONJSA-N 1 1 196.338 2.132 10 0 AEAEMO CC[C@@H]1CCCCC[N@H+]1[C@@H](C)[C@@H](C)O 134371327 343941981 /nfs/dbraw/zinc/94/19/81/343941981.db2.gz FTKUFBIKLBNGRX-QJPTWQEYSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[C@@H]1CCCCC[N@@H+]1C1CC(N)C1 134379425 343941956 /nfs/dbraw/zinc/94/19/56/343941956.db2.gz ZVMHSUXPFACJAD-MOENNCHZSA-N 1 1 196.338 2.131 10 0 AEAEMO CC[C@@H]1CCCCC[N@H+]1C1CC(N)C1 134379425 343941957 /nfs/dbraw/zinc/94/19/57/343941957.db2.gz ZVMHSUXPFACJAD-MOENNCHZSA-N 1 1 196.338 2.131 10 0 AEAEMO CC[C@H]1CCCCC[N@@H+]1C1CC(N)C1 134379447 343941975 /nfs/dbraw/zinc/94/19/75/343941975.db2.gz ZVMHSUXPFACJAD-CXQJBGSLSA-N 1 1 196.338 2.131 10 0 AEAEMO CC[C@H]1CCCCC[N@H+]1C1CC(N)C1 134379447 343941976 /nfs/dbraw/zinc/94/19/76/343941976.db2.gz ZVMHSUXPFACJAD-CXQJBGSLSA-N 1 1 196.338 2.131 10 0 AEAEMO CC[C@H]1CCCCC[N@H+]1CCCO 134725833 343949212 /nfs/dbraw/zinc/94/92/12/343949212.db2.gz ZYUBLCLEVPNZPW-NSHDSACASA-N 1 1 185.311 2.023 10 0 AEAEMO CCSCCCn1cc[nH+]c1C 135069322 343954390 /nfs/dbraw/zinc/95/43/90/343954390.db2.gz CIUJFFXCZYSJFD-UHFFFAOYSA-N 1 1 184.308 2.335 10 0 AEAEMO COCC(C)(C)Nc1cccc(C)[nH+]1 135148358 343955813 /nfs/dbraw/zinc/95/58/13/343955813.db2.gz AOBBORBPYPBJCA-UHFFFAOYSA-N 1 1 194.278 2.227 10 0 AEAEMO CCCc1cn2c([nH+]1)C[C@H](C)CC2 135889063 343970161 /nfs/dbraw/zinc/97/01/61/343970161.db2.gz OMMAGVRFNMPUBY-SECBINFHSA-N 1 1 178.279 2.418 10 0 AEAEMO C1CCc2c([nH+]c3n2CCCC3)C1 135887546 343970190 /nfs/dbraw/zinc/97/01/90/343970190.db2.gz IAKWFSBHUOBTDD-UHFFFAOYSA-N 1 1 176.263 2.098 10 0 AEAEMO CCCc1cn2c([nH+]1)CCCC2 135886353 343970220 /nfs/dbraw/zinc/97/02/20/343970220.db2.gz GWEYVAYMSAEBMZ-UHFFFAOYSA-N 1 1 164.252 2.172 10 0 AEAEMO Cc1c(C2CC2)[nH+]c2n1CCCC2 135888111 343970252 /nfs/dbraw/zinc/97/02/52/343970252.db2.gz BNABAEZHIJJIPW-UHFFFAOYSA-N 1 1 176.263 2.405 10 0 AEAEMO CC1(C)CCc2c1[nH+]c1n2CCCC1 135886449 343970282 /nfs/dbraw/zinc/97/02/82/343970282.db2.gz IZYNBQZCOAYLFN-UHFFFAOYSA-N 1 1 190.290 2.443 10 0 AEAEMO C[C@H]1CCn2cc(C3CC3)[nH+]c2C1 135888940 343970292 /nfs/dbraw/zinc/97/02/92/343970292.db2.gz HLGFCDVKHSJQTK-QMMMGPOBSA-N 1 1 176.263 2.343 10 0 AEAEMO CC(C)c1cn2c([nH+]1)CCCC2 135886406 343970299 /nfs/dbraw/zinc/97/02/99/343970299.db2.gz LVTCBONFQNMZMD-UHFFFAOYSA-N 1 1 164.252 2.343 10 0 AEAEMO c1c(C2CC2)[nH+]c2n1CCCC2 135886274 343970313 /nfs/dbraw/zinc/97/03/13/343970313.db2.gz YKSPWKFEQNNMJO-UHFFFAOYSA-N 1 1 162.236 2.097 10 0 AEAEMO C[C@@H]1CCn2cc(C3CC3)[nH+]c2C1 135888907 343970399 /nfs/dbraw/zinc/97/03/99/343970399.db2.gz HLGFCDVKHSJQTK-MRVPVSSYSA-N 1 1 176.263 2.343 10 0 AEAEMO CCc1[nH+]c2n(c1C)CC[C@@H](C)C2 135888833 343970456 /nfs/dbraw/zinc/97/04/56/343970456.db2.gz QUWBMMWKAVYRFA-MRVPVSSYSA-N 1 1 178.279 2.336 10 0 AEAEMO CCc1[nH+]c2n(c1C)CC[C@H](C)C2 135888864 343970492 /nfs/dbraw/zinc/97/04/92/343970492.db2.gz QUWBMMWKAVYRFA-QMMMGPOBSA-N 1 1 178.279 2.336 10 0 AEAEMO C[C@@H]1CCc2c1[nH+]c1n2CCCC1 135888376 343970529 /nfs/dbraw/zinc/97/05/29/343970529.db2.gz JMACSECFLJNLNI-MRVPVSSYSA-N 1 1 176.263 2.269 10 0 AEAEMO CCCc1cn2c([nH+]1)C[C@@H](C)CC2 135889108 343970602 /nfs/dbraw/zinc/97/06/02/343970602.db2.gz OMMAGVRFNMPUBY-VIFPVBQESA-N 1 1 178.279 2.418 10 0 AEAEMO CCc1cn2c([nH+]1)C[C@@H](C)CC2 135889719 343970840 /nfs/dbraw/zinc/97/08/40/343970840.db2.gz ZDTRDXCRXJVWJG-QMMMGPOBSA-N 1 1 164.252 2.028 10 0 AEAEMO CCc1c(C)[nH+]c2n1CC[C@@H](C)C2 135889563 343971193 /nfs/dbraw/zinc/97/11/93/343971193.db2.gz WGPDCYLJORHCNQ-MRVPVSSYSA-N 1 1 178.279 2.336 10 0 AEAEMO CCc1c(C)[nH+]c2n1CC[C@H](C)C2 135889525 343971220 /nfs/dbraw/zinc/97/12/20/343971220.db2.gz WGPDCYLJORHCNQ-QMMMGPOBSA-N 1 1 178.279 2.336 10 0 AEAEMO CCc1cn2c([nH+]1)C[C@H](C)CC2 135889689 343971297 /nfs/dbraw/zinc/97/12/97/343971297.db2.gz ZDTRDXCRXJVWJG-MRVPVSSYSA-N 1 1 164.252 2.028 10 0 AEAEMO C[C@H]1CCc2[nH+]c(C3CC3)cn2C1 135905273 343971482 /nfs/dbraw/zinc/97/14/82/343971482.db2.gz QXENRJDJVZOIRW-QMMMGPOBSA-N 1 1 176.263 2.343 10 0 AEAEMO CCc1c(C)[nH+]c2n1C[C@@H](C)CC2 135905993 343971503 /nfs/dbraw/zinc/97/15/03/343971503.db2.gz ZMRNJXAXKZNCGA-QMMMGPOBSA-N 1 1 178.279 2.336 10 0 AEAEMO CCCc1cn2c([nH+]1)CC[C@@H](C)C2 135905431 343971528 /nfs/dbraw/zinc/97/15/28/343971528.db2.gz KPXGDGQPQVPUHQ-SECBINFHSA-N 1 1 178.279 2.418 10 0 AEAEMO CCc1cn2c([nH+]1)CCC[C@@H]2C 135910967 343971538 /nfs/dbraw/zinc/97/15/38/343971538.db2.gz FNCKAQCULDZQEV-QMMMGPOBSA-N 1 1 164.252 2.343 10 0 AEAEMO CCCc1cn2c([nH+]1)CC[C@H](C)C2 135905401 343971572 /nfs/dbraw/zinc/97/15/72/343971572.db2.gz KPXGDGQPQVPUHQ-VIFPVBQESA-N 1 1 178.279 2.418 10 0 AEAEMO CCc1[nH+]c2n(c1C)C[C@H](C)CC2 135905195 343971592 /nfs/dbraw/zinc/97/15/92/343971592.db2.gz GPAFYOKYHORPPB-MRVPVSSYSA-N 1 1 178.279 2.336 10 0 AEAEMO CCc1[nH+]c2n(c1C)C[C@@H](C)CC2 135905164 343971640 /nfs/dbraw/zinc/97/16/40/343971640.db2.gz GPAFYOKYHORPPB-QMMMGPOBSA-N 1 1 178.279 2.336 10 0 AEAEMO C[C@@H]1CCCc2[nH+]c3c(n21)CCC3 135910028 343971667 /nfs/dbraw/zinc/97/16/67/343971667.db2.gz LPZNKQJZRHOAHI-MRVPVSSYSA-N 1 1 176.263 2.269 10 0 AEAEMO CCc1cn2c([nH+]1)CC[C@@H](C)C2 135906165 343971688 /nfs/dbraw/zinc/97/16/88/343971688.db2.gz ZLYMMSGEKWMGEX-MRVPVSSYSA-N 1 1 164.252 2.028 10 0 AEAEMO CCc1cn2c([nH+]1)CC[C@H](C)C2 135906120 343971730 /nfs/dbraw/zinc/97/17/30/343971730.db2.gz ZLYMMSGEKWMGEX-QMMMGPOBSA-N 1 1 164.252 2.028 10 0 AEAEMO CCc1c(C)[nH+]c2n1C[C@H](C)CC2 135905969 343971743 /nfs/dbraw/zinc/97/17/43/343971743.db2.gz ZMRNJXAXKZNCGA-MRVPVSSYSA-N 1 1 178.279 2.336 10 0 AEAEMO C[C@H]1CCCc2[nH+]c3c(n21)CCC3 135910057 343971862 /nfs/dbraw/zinc/97/18/62/343971862.db2.gz LPZNKQJZRHOAHI-QMMMGPOBSA-N 1 1 176.263 2.269 10 0 AEAEMO C[C@@H]1CCc2[nH+]c(C3CC3)cn2C1 135905233 343971907 /nfs/dbraw/zinc/97/19/07/343971907.db2.gz QXENRJDJVZOIRW-MRVPVSSYSA-N 1 1 176.263 2.343 10 0 AEAEMO CCc1cn2c([nH+]1)CCC[C@H]2C 135911006 343971910 /nfs/dbraw/zinc/97/19/10/343971910.db2.gz FNCKAQCULDZQEV-MRVPVSSYSA-N 1 1 164.252 2.343 10 0 AEAEMO CC[C@@H]1CC[C@@H](C)[N@H+]1[C@@H](C)C(C)=O 136300325 343978940 /nfs/dbraw/zinc/97/89/40/343978940.db2.gz JCBUWDUWTMNDOY-WCABBAIRSA-N 1 1 183.295 2.227 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@H+]1[C@@H](C)C(C)=O 136300228 343979127 /nfs/dbraw/zinc/97/91/27/343979127.db2.gz JCBUWDUWTMNDOY-ATZCPNFKSA-N 1 1 183.295 2.227 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@H+]1[C@@H](C)[C@@H](C)O 136403911 343981048 /nfs/dbraw/zinc/98/10/48/343981048.db2.gz DFWVHAOWNSGXQX-UKKRHICBSA-N 1 1 185.311 2.019 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[C@@H]1O 136404090 343981109 /nfs/dbraw/zinc/98/11/09/343981109.db2.gz QKMWHRZYYVCCEU-QCNOEVLYSA-N 1 1 197.322 2.163 10 0 AEAEMO CCOC(=[NH2+])CC(=O)C(C)(C)C 136672281 343981864 /nfs/dbraw/zinc/98/18/64/343981864.db2.gz MLZDORFFFAAPRK-UHFFFAOYSA-N 1 1 171.240 2.005 10 0 AEAEMO Cc1ccc(C(F)(F)C[NH3+])s1 137039494 343983239 /nfs/dbraw/zinc/98/32/39/343983239.db2.gz SKPVNIICSINCPF-UHFFFAOYSA-N 1 1 177.219 2.107 10 0 AEAEMO [NH3+]CC(F)(F)c1c(F)cccc1F 137042599 343983252 /nfs/dbraw/zinc/98/32/52/343983252.db2.gz LHWYVXFYYBAHCE-UHFFFAOYSA-N 1 1 193.143 2.015 10 0 AEAEMO CCc1ccc(C(F)(F)C[NH3+])cc1 137040135 343983293 /nfs/dbraw/zinc/98/32/93/343983293.db2.gz UXEBCHJZHWZMTQ-UHFFFAOYSA-N 1 1 185.217 2.300 10 0 AEAEMO C/C=C/CNc1[nH+]cccc1C 137274760 343984608 /nfs/dbraw/zinc/98/46/08/343984608.db2.gz QIHOSQMGMJUPKA-ONEGZZNKSA-N 1 1 162.236 2.378 10 0 AEAEMO C[C@H](c1cccs1)[NH+]1CCOCC1 140713394 344001495 /nfs/dbraw/zinc/00/14/95/344001495.db2.gz ZBTSFICJDNAHKG-SECBINFHSA-N 1 1 197.303 2.141 10 0 AEAEMO C[C@@H](c1cccs1)[NH+]1CCOCC1 140713561 344001669 /nfs/dbraw/zinc/00/16/69/344001669.db2.gz ZBTSFICJDNAHKG-VIFPVBQESA-N 1 1 197.303 2.141 10 0 AEAEMO C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 142101373 344010221 /nfs/dbraw/zinc/01/02/21/344010221.db2.gz FUGSXPUAFNLTQH-JTQLQIEISA-N 1 1 179.238 2.245 10 0 AEAEMO C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 142101615 344010404 /nfs/dbraw/zinc/01/04/04/344010404.db2.gz FUGSXPUAFNLTQH-SNVBAGLBSA-N 1 1 179.238 2.245 10 0 AEAEMO C[N@H+]1CCC[C@@H](C(C)(C)C)C1 143298222 344018101 /nfs/dbraw/zinc/01/81/01/344018101.db2.gz MZIPYUYGZUBEAA-SECBINFHSA-N 1 1 155.285 2.374 10 0 AEAEMO C[N@H+]1CCC[C@H](C(C)(C)C)C1 143298408 344018131 /nfs/dbraw/zinc/01/81/31/344018131.db2.gz MZIPYUYGZUBEAA-VIFPVBQESA-N 1 1 155.285 2.374 10 0 AEAEMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C 143280844 344018137 /nfs/dbraw/zinc/01/81/37/344018137.db2.gz RLVSHOWHOSFENC-ZYHUDNBSSA-N 1 1 175.275 2.494 10 0 AEAEMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1C 143280657 344018159 /nfs/dbraw/zinc/01/81/59/344018159.db2.gz RLVSHOWHOSFENC-JQWIXIFHSA-N 1 1 175.275 2.494 10 0 AEAEMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1C 143281054 344018342 /nfs/dbraw/zinc/01/83/42/344018342.db2.gz RLVSHOWHOSFENC-CMPLNLGQSA-N 1 1 175.275 2.494 10 0 AEAEMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C 143280417 344018473 /nfs/dbraw/zinc/01/84/73/344018473.db2.gz RLVSHOWHOSFENC-PWSUYJOCSA-N 1 1 175.275 2.494 10 0 AEAEMO C[N@H+]1CCC=C[C@@H]1Cc1ccccc1 143414687 344018845 /nfs/dbraw/zinc/01/88/45/344018845.db2.gz HQSODSXLBUGCHK-CYBMUJFWSA-N 1 1 187.286 2.489 10 0 AEAEMO C[N@H+]1CCC=C[C@H]1Cc1ccccc1 143414888 344018867 /nfs/dbraw/zinc/01/88/67/344018867.db2.gz HQSODSXLBUGCHK-ZDUSSCGKSA-N 1 1 187.286 2.489 10 0 AEAEMO Clc1cc2c[nH+]cn2c(Cl)n1 143647606 344020919 /nfs/dbraw/zinc/02/09/19/344020919.db2.gz YOHXVHSDWQXISL-UHFFFAOYSA-N 1 1 188.017 2.036 10 0 AEAEMO CCc1[nH+]c2ccccn2c1C 143656368 344020992 /nfs/dbraw/zinc/02/09/92/344020992.db2.gz OFFNKWPHADAROA-UHFFFAOYSA-N 1 1 160.220 2.205 10 0 AEAEMO CCSCC[N@@H+]1CC=CCC1 143758823 344021920 /nfs/dbraw/zinc/02/19/20/344021920.db2.gz BRLYSVNFNPKGQU-UHFFFAOYSA-N 1 1 171.309 2.001 10 0 AEAEMO CC(C)[C@@H]1CCCC[N@H+]1C 143797702 344022005 /nfs/dbraw/zinc/02/20/05/344022005.db2.gz ICXRLHXAXVRUCJ-VIFPVBQESA-N 1 1 141.258 2.127 10 0 AEAEMO CC(C)[C@H]1CCCC[N@H+]1C 143797876 344022051 /nfs/dbraw/zinc/02/20/51/344022051.db2.gz ICXRLHXAXVRUCJ-SECBINFHSA-N 1 1 141.258 2.127 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H]1c1ncccn1 143896340 344023007 /nfs/dbraw/zinc/02/30/07/344023007.db2.gz LSZPZQHUHYTJRM-JTQLQIEISA-N 1 1 191.278 2.022 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H]1c1ncccn1 143896134 344023063 /nfs/dbraw/zinc/02/30/63/344023063.db2.gz LSZPZQHUHYTJRM-SNVBAGLBSA-N 1 1 191.278 2.022 10 0 AEAEMO Nc1cc(C2=CCCC2)cc[nH+]1 144032959 344023851 /nfs/dbraw/zinc/02/38/51/344023851.db2.gz DEUNCTWJNSQQFK-UHFFFAOYSA-N 1 1 160.220 2.231 10 0 AEAEMO C[C@@H](O)[C@H]1CC[N@H+](C2CCCCC2)C1 144036333 344023938 /nfs/dbraw/zinc/02/39/38/344023938.db2.gz KXBFODUIGQHISZ-MNOVXSKESA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H](O)[C@@H]1CC[N@H+](C2CCCCC2)C1 144035924 344024143 /nfs/dbraw/zinc/02/41/43/344024143.db2.gz KXBFODUIGQHISZ-GHMZBOCLSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H](O)[C@@H]1CC[N@H+](C2CCCCC2)C1 144036151 344024149 /nfs/dbraw/zinc/02/41/49/344024149.db2.gz KXBFODUIGQHISZ-WDEREUQCSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H](O)[C@H]1CC[N@H+](C2CCCCC2)C1 144036536 344024209 /nfs/dbraw/zinc/02/42/09/344024209.db2.gz KXBFODUIGQHISZ-QWRGUYRKSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[N@@H+](C)Cc1cccc(F)c1 144176563 344024971 /nfs/dbraw/zinc/02/49/71/344024971.db2.gz AZFJUVUGFCHKPF-UHFFFAOYSA-N 1 1 167.227 2.277 10 0 AEAEMO N#C[C@]1(C2CCCCC2)CCC[NH2+]1 144322371 344026156 /nfs/dbraw/zinc/02/61/56/344026156.db2.gz IQQOBSHKJUPHNC-NSHDSACASA-N 1 1 178.279 2.212 10 0 AEAEMO N#C[C@@]1(C2CCCCC2)CCC[NH2+]1 144322576 344026195 /nfs/dbraw/zinc/02/61/95/344026195.db2.gz IQQOBSHKJUPHNC-LLVKDONJSA-N 1 1 178.279 2.212 10 0 AEAEMO CC(=O)[C@H]1CCC[N@H+](C(C)(C)C)C1 144415489 344026597 /nfs/dbraw/zinc/02/65/97/344026597.db2.gz BSAPJWGXBLBILG-JTQLQIEISA-N 1 1 183.295 2.086 10 0 AEAEMO CC(=O)[C@@H]1CCC[N@H+](C(C)(C)C)C1 144415319 344026580 /nfs/dbraw/zinc/02/65/80/344026580.db2.gz BSAPJWGXBLBILG-SNVBAGLBSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(=O)C[N@H+]1CCC[C@H]2CCCC[C@H]21 144692441 344028982 /nfs/dbraw/zinc/02/89/82/344028982.db2.gz MYXTXDGEBFZFKQ-VXGBXAGGSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(=O)C[N@H+]1CCC[C@@H]2CCCC[C@H]21 144692212 344029036 /nfs/dbraw/zinc/02/90/36/344029036.db2.gz MYXTXDGEBFZFKQ-NWDGAFQWSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[N@@H+](C)CCC(C)(C)C 145282511 344032358 /nfs/dbraw/zinc/03/23/58/344032358.db2.gz SYUWQYHWNJPUMM-UHFFFAOYSA-N 1 1 143.274 2.374 10 0 AEAEMO C[N@H+]1CC[C@H]2CCCC[C@H]2C1 145402823 344033410 /nfs/dbraw/zinc/03/34/10/344033410.db2.gz MMCXKYPKYQMCRM-ZJUUUORDSA-N 1 1 153.269 2.128 10 0 AEAEMO C[N@H+]1CCCC12CCCC2 145756154 344035393 /nfs/dbraw/zinc/03/53/93/344035393.db2.gz ZHXXWNWQKBWAPC-UHFFFAOYSA-N 1 1 139.242 2.025 10 0 AEAEMO CC[C@H]1CCC[N@@H+](C)CC1 145939212 344037043 /nfs/dbraw/zinc/03/70/43/344037043.db2.gz NYIDWHHUYKFXEX-VIFPVBQESA-N 1 1 141.258 2.128 10 0 AEAEMO C[C@H]1CCC[N@H+]2C[C@H](C)C[C@H]12 145943207 344037170 /nfs/dbraw/zinc/03/71/70/344037170.db2.gz SGVIROOFVWDDEJ-KXUCPTDWSA-N 1 1 153.269 2.127 10 0 AEAEMO CC[C@@H]1CCC[N@@H+](C)CC1 145939022 344037376 /nfs/dbraw/zinc/03/73/76/344037376.db2.gz NYIDWHHUYKFXEX-SECBINFHSA-N 1 1 141.258 2.128 10 0 AEAEMO C[C@H]1CC[N@@H+]2[C@@H](CC[C@H]2C)C1 146060458 344038481 /nfs/dbraw/zinc/03/84/81/344038481.db2.gz GVRSCDMGSNTBFR-AEJSXWLSSA-N 1 1 153.269 2.269 10 0 AEAEMO CC(C)(C)[C@H]1CNCC[N@H+]1C(C)(C)C 146172118 344039291 /nfs/dbraw/zinc/03/92/91/344039291.db2.gz AQRYHAQSCQQXCB-SNVBAGLBSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)(C)[C@@H]1CNCC[N@H+]1C(C)(C)C 146171924 344039532 /nfs/dbraw/zinc/03/95/32/344039532.db2.gz AQRYHAQSCQQXCB-JTQLQIEISA-N 1 1 198.354 2.105 10 0 AEAEMO CCCCC/C=C/[NH+]1CCOCC1 146523803 344041415 /nfs/dbraw/zinc/04/14/15/344041415.db2.gz IEEKXPPTWPKEBK-VOTSOKGWSA-N 1 1 183.295 2.413 10 0 AEAEMO CN(C)Nc1cc[nH+]c2ccccc12 148193975 344050417 /nfs/dbraw/zinc/05/04/17/344050417.db2.gz MGQFPRZAKNXUBB-UHFFFAOYSA-N 1 1 187.246 2.123 10 0 AEAEMO CC(C)[C@H]1CCC[N@@H+](C)CC1 148290294 344052394 /nfs/dbraw/zinc/05/23/94/344052394.db2.gz XGYAOJVOKRLIER-JTQLQIEISA-N 1 1 155.285 2.374 10 0 AEAEMO CC(C)[C@@H]1CCC[N@@H+](C)CC1 148290129 344052528 /nfs/dbraw/zinc/05/25/28/344052528.db2.gz XGYAOJVOKRLIER-SNVBAGLBSA-N 1 1 155.285 2.374 10 0 AEAEMO CC(C)[C@H]1COCC[N@H+]1C(C)(C)C 148599671 344056346 /nfs/dbraw/zinc/05/63/46/344056346.db2.gz OOMRBOCIVPUKTG-SNVBAGLBSA-N 1 1 185.311 2.142 10 0 AEAEMO Cc1cc(NC(C)(C)C)nc(C)[nH+]1 149744784 344070805 /nfs/dbraw/zinc/07/08/05/344070805.db2.gz VXUIVCXAILSXKI-UHFFFAOYSA-N 1 1 179.267 2.304 10 0 AEAEMO C[NH+](C)Cc1nc2ccccc2s1 149918692 344073233 /nfs/dbraw/zinc/07/32/33/344073233.db2.gz PDESDHNZFBDKDM-UHFFFAOYSA-N 1 1 192.287 2.358 10 0 AEAEMO CC[C@H]1CCCC[N@@H+](C)C1 149929414 344073769 /nfs/dbraw/zinc/07/37/69/344073769.db2.gz RRSAUUMRKURNOF-VIFPVBQESA-N 1 1 141.258 2.128 10 0 AEAEMO C[C@H]1CCC[N@H+](C2CCC2)C1 149963275 344074342 /nfs/dbraw/zinc/07/43/42/344074342.db2.gz MBUYCLBJIDKZFQ-VIFPVBQESA-N 1 1 153.269 2.271 10 0 AEAEMO CC1(C)CCC[C@H]([N@@H+]2CCC(=O)C2)C1 150033072 344075535 /nfs/dbraw/zinc/07/55/35/344075535.db2.gz UPVLYEYVZZBLCY-JTQLQIEISA-N 1 1 195.306 2.230 10 0 AEAEMO CC1(C)CCC[C@H]([N@H+]2CCC(=O)C2)C1 150033072 344075537 /nfs/dbraw/zinc/07/55/37/344075537.db2.gz UPVLYEYVZZBLCY-JTQLQIEISA-N 1 1 195.306 2.230 10 0 AEAEMO FC1(c2ccccc2Cl)C[NH2+]C1 156387117 344084476 /nfs/dbraw/zinc/08/44/76/344084476.db2.gz IXTNIDQSNJGMEC-UHFFFAOYSA-N 1 1 185.629 2.108 10 0 AEAEMO FC1(c2ccc(Cl)cc2)C[NH2+]C1 156385122 344084861 /nfs/dbraw/zinc/08/48/61/344084861.db2.gz DGCXUCKMOHDRFD-UHFFFAOYSA-N 1 1 185.629 2.108 10 0 AEAEMO FC1(c2cccc(Cl)c2)C[NH2+]C1 156396740 344085414 /nfs/dbraw/zinc/08/54/14/344085414.db2.gz YBIAKBIRFZQKEE-UHFFFAOYSA-N 1 1 185.629 2.108 10 0 AEAEMO CCCC[C@]1(O)CC[N@@H+](C)[C@H](C)C1 156715534 344094003 /nfs/dbraw/zinc/09/40/03/344094003.db2.gz KAUGSOGRCALNKJ-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO CC(C)C[C@@]1(O)CC[N@H+]2CCC[C@@H]2C1 156842698 344096320 /nfs/dbraw/zinc/09/63/20/344096320.db2.gz WCCDBADGZVCWGR-NEPJUHHUSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)C[C@]1(O)CC[N@H+]2CCC[C@@H]2C1 156842558 344096773 /nfs/dbraw/zinc/09/67/73/344096773.db2.gz WCCDBADGZVCWGR-VXGBXAGGSA-N 1 1 197.322 2.022 10 0 AEAEMO C[NH+](C)Cc1nc(C2CC2)cs1 157119673 344100502 /nfs/dbraw/zinc/10/05/02/344100502.db2.gz ZFDQNXYNOTYLCC-UHFFFAOYSA-N 1 1 182.292 2.082 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1C1CCC(=O)CC1 157208055 344101577 /nfs/dbraw/zinc/10/15/77/344101577.db2.gz UNVJHKRIFSLXBS-SNVBAGLBSA-N 1 1 195.306 2.373 10 0 AEAEMO C[C@H]1CCCC[N@H+]1C1CCC(=O)CC1 157208207 344101614 /nfs/dbraw/zinc/10/16/14/344101614.db2.gz UNVJHKRIFSLXBS-JTQLQIEISA-N 1 1 195.306 2.373 10 0 AEAEMO CC[C@H]1CCCCC[N@@H+]1C[C@H](O)CC 157244216 344101899 /nfs/dbraw/zinc/10/18/99/344101899.db2.gz BUKLKOUUCFLXQJ-NWDGAFQWSA-N 1 1 199.338 2.412 10 0 AEAEMO C[N@@H+](CC(C)(C)C)C1CCC(=O)CC1 157235538 344101994 /nfs/dbraw/zinc/10/19/94/344101994.db2.gz YSKIWCLXDDJUQQ-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@@H](O)C[N@H+]1CCCCC[C@H]1CC 157244057 344102180 /nfs/dbraw/zinc/10/21/80/344102180.db2.gz BUKLKOUUCFLXQJ-VXGBXAGGSA-N 1 1 199.338 2.412 10 0 AEAEMO C[C@@H]1C[N@@H+](C2CCC(=O)CC2)C[C@@H]1C 157251490 344102158 /nfs/dbraw/zinc/10/21/58/344102158.db2.gz WEBGEVIVCVARIW-AOOOYVTPSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@H]1CC[N@H+](C2CCC(=O)CC2)C1 157260801 344102611 /nfs/dbraw/zinc/10/26/11/344102611.db2.gz IGIHCJGYQASDQZ-JTQLQIEISA-N 1 1 195.306 2.230 10 0 AEAEMO CCC(C)(C)[N@@H+](C)C1CCC(O)CC1 157311183 344102915 /nfs/dbraw/zinc/10/29/15/344102915.db2.gz NWVJPKUIKWIJPF-UHFFFAOYSA-N 1 1 199.338 2.410 10 0 AEAEMO C[N@@H+](CC(C)(C)C)C1CCC(O)CC1 157299735 344103187 /nfs/dbraw/zinc/10/31/87/344103187.db2.gz IFWUNHBASVWJLQ-UHFFFAOYSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H]1C[C@@H](C)[N@H+]([C@@H](CN)C(C)(C)C)C1 157632815 344110633 /nfs/dbraw/zinc/11/06/33/344110633.db2.gz NMDUGZMVFSBQFI-MXWKQRLJSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H]1C[C@@H](C)C[N@H+]1[C@@H](CN)C(C)(C)C 157632527 344110801 /nfs/dbraw/zinc/11/08/01/344110801.db2.gz NMDUGZMVFSBQFI-VWYCJHECSA-N 1 1 198.354 2.090 10 0 AEAEMO Cc1ccc(C)c(C2(F)C[NH2+]C2)c1 158119079 344119521 /nfs/dbraw/zinc/11/95/21/344119521.db2.gz XAPRDPJEXDAKLN-UHFFFAOYSA-N 1 1 179.238 2.071 10 0 AEAEMO Cc1cc(C)cc(C2(F)C[NH2+]C2)c1 158129614 344119109 /nfs/dbraw/zinc/11/91/09/344119109.db2.gz QLGOJYMOQJRJAQ-UHFFFAOYSA-N 1 1 179.238 2.071 10 0 AEAEMO CCc1ccc(C2(F)C[NH2+]C2)cc1 158126068 344119147 /nfs/dbraw/zinc/11/91/47/344119147.db2.gz XNSDZIUKPCHRKI-UHFFFAOYSA-N 1 1 179.238 2.017 10 0 AEAEMO Cc1cccc(C2(F)C[NH2+]C2)c1C 158126887 344119176 /nfs/dbraw/zinc/11/91/76/344119176.db2.gz JJEOODFQVHIMTA-UHFFFAOYSA-N 1 1 179.238 2.071 10 0 AEAEMO CCc1ccc(CC2(F)C[NH2+]C2)s1 158116837 344119226 /nfs/dbraw/zinc/11/92/26/344119226.db2.gz FSMVVBJUKKODPL-UHFFFAOYSA-N 1 1 199.294 2.165 10 0 AEAEMO FC1(Cc2ccccc2Cl)C[NH2+]C1 158123626 344119419 /nfs/dbraw/zinc/11/94/19/344119419.db2.gz XPWBNARUJNKYDK-UHFFFAOYSA-N 1 1 199.656 2.194 10 0 AEAEMO Cc1ccc(C2(F)C[NH2+]C2)c(C)c1 158113743 344119434 /nfs/dbraw/zinc/11/94/34/344119434.db2.gz RLFDBIUQPIDKHR-UHFFFAOYSA-N 1 1 179.238 2.071 10 0 AEAEMO CCc1cccc(C2(F)C[NH2+]C2)c1 158130361 344119924 /nfs/dbraw/zinc/11/99/24/344119924.db2.gz SOJZCOOYVFAAFU-UHFFFAOYSA-N 1 1 179.238 2.017 10 0 AEAEMO Cc1ccc(C2(F)C[NH2+]C2)cc1C 158133294 344120147 /nfs/dbraw/zinc/12/01/47/344120147.db2.gz OYGLOFWTDCQQAJ-UHFFFAOYSA-N 1 1 179.238 2.071 10 0 AEAEMO CC(=O)C(C)(C)C[N@H+]1C[C@@H](C)C[C@@H]1C 158236310 344122229 /nfs/dbraw/zinc/12/22/29/344122229.db2.gz JQYBWDXGMYNLOH-UWVGGRQHSA-N 1 1 197.322 2.332 10 0 AEAEMO CC(=O)C(C)(C)C[N@H+]1C[C@H](C)C[C@@H]1C 158236151 344122298 /nfs/dbraw/zinc/12/22/98/344122298.db2.gz JQYBWDXGMYNLOH-ZJUUUORDSA-N 1 1 197.322 2.332 10 0 AEAEMO CC(=O)C(C)(C)C[N@H+]1C[C@H](C)C[C@H]1C 158236445 344122317 /nfs/dbraw/zinc/12/23/17/344122317.db2.gz JQYBWDXGMYNLOH-NXEZZACHSA-N 1 1 197.322 2.332 10 0 AEAEMO CC(=O)C(C)(C)C[N@H+]1C[C@@H](C)C[C@H]1C 158236585 344122690 /nfs/dbraw/zinc/12/26/90/344122690.db2.gz JQYBWDXGMYNLOH-VHSXEESVSA-N 1 1 197.322 2.332 10 0 AEAEMO C[C@H]1C[C@H](n2cccc2)CC[N@H+]1C 158814613 344133320 /nfs/dbraw/zinc/13/33/20/344133320.db2.gz YUJLKFNAWSRPDZ-WDEREUQCSA-N 1 1 178.279 2.143 10 0 AEAEMO C[C@H]1C[C@@H](n2cccc2)CC[N@H+]1C 158814904 344133350 /nfs/dbraw/zinc/13/33/50/344133350.db2.gz YUJLKFNAWSRPDZ-QWRGUYRKSA-N 1 1 178.279 2.143 10 0 AEAEMO C[C@@H]1C[C@@H](n2cccc2)CC[N@H+]1C 158814767 344133467 /nfs/dbraw/zinc/13/34/67/344133467.db2.gz YUJLKFNAWSRPDZ-MNOVXSKESA-N 1 1 178.279 2.143 10 0 AEAEMO C[C@@H]1C[C@H](n2cccc2)CC[N@H+]1C 158814557 344133479 /nfs/dbraw/zinc/13/34/79/344133479.db2.gz YUJLKFNAWSRPDZ-GHMZBOCLSA-N 1 1 178.279 2.143 10 0 AEAEMO c1ccn([C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 158813880 344133522 /nfs/dbraw/zinc/13/35/22/344133522.db2.gz LMKIZOHXIUVXJP-VXGBXAGGSA-N 1 1 190.290 2.287 10 0 AEAEMO c1ccn([C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 158814025 344133575 /nfs/dbraw/zinc/13/35/75/344133575.db2.gz LMKIZOHXIUVXJP-NEPJUHHUSA-N 1 1 190.290 2.287 10 0 AEAEMO C[C@@H](CO)[N@@H+](C)C1CCCCCC1 159064911 344138305 /nfs/dbraw/zinc/13/83/05/344138305.db2.gz CEHIRWXNPSELIE-JTQLQIEISA-N 1 1 185.311 2.022 10 0 AEAEMO C[C@H](CO)[N@@H+](C)C1CCCCCC1 159065042 344138386 /nfs/dbraw/zinc/13/83/86/344138386.db2.gz CEHIRWXNPSELIE-SNVBAGLBSA-N 1 1 185.311 2.022 10 0 AEAEMO Nc1ccc[nH+]c1NCCC1CCC1 159197485 344139962 /nfs/dbraw/zinc/13/99/62/344139962.db2.gz FBIHHUSFTCASSD-UHFFFAOYSA-N 1 1 191.278 2.266 10 0 AEAEMO CC[C@H]1CCCCC[N@H+]1CC(C)(C)O 159203709 344140120 /nfs/dbraw/zinc/14/01/20/344140120.db2.gz CBMOLJIAOIVQOE-NSHDSACASA-N 1 1 199.338 2.412 10 0 AEAEMO C[N@@H+](CC1(O)CCCCC1)C1CCC1 160359813 344163548 /nfs/dbraw/zinc/16/35/48/344163548.db2.gz PEVHSMCMDKTKBA-UHFFFAOYSA-N 1 1 197.322 2.166 10 0 AEAEMO CCCC(=O)C1C[C@@H]2CC[C@H](C1)[N@H+]2C 160418573 344165039 /nfs/dbraw/zinc/16/50/39/344165039.db2.gz YYFXNAPATMDMMR-FGWVZKOKSA-N 1 1 195.306 2.228 10 0 AEAEMO CC(C)C(=O)C1C[C@@H]2CC[C@H](C1)[N@H+]2C 160419790 344165750 /nfs/dbraw/zinc/16/57/50/344165750.db2.gz ITILSYBZERDOHN-FGWVZKOKSA-N 1 1 195.306 2.084 10 0 AEAEMO C[C@@H](CO)C[N@H+]1CCCC(C)(C)CC1 160958800 344181776 /nfs/dbraw/zinc/18/17/76/344181776.db2.gz JIRUZIUCBIIQPO-LLVKDONJSA-N 1 1 199.338 2.127 10 0 AEAEMO C[C@H](CO)C[N@H+]1CCCC(C)(C)CC1 160958710 344181794 /nfs/dbraw/zinc/18/17/94/344181794.db2.gz JIRUZIUCBIIQPO-NSHDSACASA-N 1 1 199.338 2.127 10 0 AEAEMO CC[N@H+]1CCC[C@@](O)(C2CCC2)CC1 161244391 344187504 /nfs/dbraw/zinc/18/75/04/344187504.db2.gz PBQPJWNFRUXPGJ-LBPRGKRZSA-N 1 1 197.322 2.023 10 0 AEAEMO CC[N@H+]1CCC[C@](O)(C2CCC2)CC1 161244261 344187568 /nfs/dbraw/zinc/18/75/68/344187568.db2.gz PBQPJWNFRUXPGJ-GFCCVEGCSA-N 1 1 197.322 2.023 10 0 AEAEMO C[C@@H]1CCC[N@H+]1Cc1ccc(C=O)o1 161270086 344188258 /nfs/dbraw/zinc/18/82/58/344188258.db2.gz JPDJTYZEEIYSGM-SECBINFHSA-N 1 1 193.246 2.076 10 0 AEAEMO CC(C)(C)CC[N@H+]1CC[C@H](CCO)C1 161578714 344194034 /nfs/dbraw/zinc/19/40/34/344194034.db2.gz UBYHROMGCVPILM-LLVKDONJSA-N 1 1 199.338 2.127 10 0 AEAEMO Nc1[nH+]cccc1CC1CCC1 161566494 344194184 /nfs/dbraw/zinc/19/41/84/344194184.db2.gz JHGDTXAIIAQPAL-UHFFFAOYSA-N 1 1 162.236 2.006 10 0 AEAEMO CC(C)(C)CC[N@H+]1CC[C@@H](CCO)C1 161578838 344194235 /nfs/dbraw/zinc/19/42/35/344194235.db2.gz UBYHROMGCVPILM-NSHDSACASA-N 1 1 199.338 2.127 10 0 AEAEMO Cc1c[nH+]cn1[C@H](C)c1cccnc1 161805041 344198181 /nfs/dbraw/zinc/19/81/81/344198181.db2.gz HATLGDHVRQXEJE-SNVBAGLBSA-N 1 1 187.246 2.196 10 0 AEAEMO Cc1c[nH+]cn1[C@@H](C)c1cccnc1 161804903 344198314 /nfs/dbraw/zinc/19/83/14/344198314.db2.gz HATLGDHVRQXEJE-JTQLQIEISA-N 1 1 187.246 2.196 10 0 AEAEMO Cc1c[nH+]cn1CC[C@@H]1CCCCO1 161815152 344198864 /nfs/dbraw/zinc/19/88/64/344198864.db2.gz INMKHPLGLMJXCL-NSHDSACASA-N 1 1 194.278 2.151 10 0 AEAEMO C[N@H+]1CCC[C@@H]1C(C)(C)C 162067466 344202557 /nfs/dbraw/zinc/20/25/57/344202557.db2.gz WQSWGYXEWBYSAT-MRVPVSSYSA-N 1 1 141.258 2.127 10 0 AEAEMO C[N@H+]1CCC[C@H]1C(C)(C)C 162067342 344202786 /nfs/dbraw/zinc/20/27/86/344202786.db2.gz WQSWGYXEWBYSAT-QMMMGPOBSA-N 1 1 141.258 2.127 10 0 AEAEMO Cc1ccc([C@@H]2[NH2+][C@H](C)CS2)cn1 162353175 344206244 /nfs/dbraw/zinc/20/62/44/344206244.db2.gz OKSSTWWYMVBWTM-PSASIEDQSA-N 1 1 194.303 2.114 10 0 AEAEMO Cc1ccc([C@@H]2[NH2+][C@@H](C)CS2)cn1 162353484 344206295 /nfs/dbraw/zinc/20/62/95/344206295.db2.gz OKSSTWWYMVBWTM-WCBMZHEXSA-N 1 1 194.303 2.114 10 0 AEAEMO Cc1ccc([C@H]2[NH2+][C@H](C)CS2)cn1 162353342 344206512 /nfs/dbraw/zinc/20/65/12/344206512.db2.gz OKSSTWWYMVBWTM-SCZZXKLOSA-N 1 1 194.303 2.114 10 0 AEAEMO Cc1ccc([C@H]2[NH2+][C@@H](C)CS2)cn1 162353615 344206990 /nfs/dbraw/zinc/20/69/90/344206990.db2.gz OKSSTWWYMVBWTM-WPRPVWTQSA-N 1 1 194.303 2.114 10 0 AEAEMO Cc1[nH+]c(N)[nH]c1-c1cccc(F)c1 162731400 344212595 /nfs/dbraw/zinc/21/25/95/344212595.db2.gz UHUMCXRPOGVMNG-UHFFFAOYSA-N 1 1 191.209 2.106 10 0 AEAEMO C[C@H]1C[N@@H+]([C@@H](C)C(C)(C)C)CCC1=O 162811665 344214109 /nfs/dbraw/zinc/21/41/09/344214109.db2.gz BXVAYTCCMAQDAX-UWVGGRQHSA-N 1 1 197.322 2.332 10 0 AEAEMO C[C@H]([N@H+]1CCC(=O)[C@H](C)C1)C(C)(C)C 162811551 344214115 /nfs/dbraw/zinc/21/41/15/344214115.db2.gz BXVAYTCCMAQDAX-ZJUUUORDSA-N 1 1 197.322 2.332 10 0 AEAEMO Cc1nc([C@H]([NH3+])c2ccoc2)cs1 162836397 344214555 /nfs/dbraw/zinc/21/45/55/344214555.db2.gz PAVOLNUKYIWMDC-SECBINFHSA-N 1 1 194.259 2.093 10 0 AEAEMO C[C@H]1CC(=O)CC[N@@H+]1[C@@H](C)C(C)(C)C 162816101 344214701 /nfs/dbraw/zinc/21/47/01/344214701.db2.gz SCRTWAIXOOCKQY-UWVGGRQHSA-N 1 1 197.322 2.474 10 0 AEAEMO Cc1nc([C@@H]([NH3+])c2ccoc2)cs1 162836511 344214671 /nfs/dbraw/zinc/21/46/71/344214671.db2.gz PAVOLNUKYIWMDC-VIFPVBQESA-N 1 1 194.259 2.093 10 0 AEAEMO C[C@H]1CC[N@@H+]([C@@H](C)C(C)(C)C)CCN1 162887894 344215549 /nfs/dbraw/zinc/21/55/49/344215549.db2.gz HYGNYUYTYZIYDV-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@H]([N@H+]1CCN[C@H](C)CC1)C(C)(C)C 162887789 344215531 /nfs/dbraw/zinc/21/55/31/344215531.db2.gz HYGNYUYTYZIYDV-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H]([N@H+]1CCNC(C)(C)C1)C(C)(C)C 162928837 344216388 /nfs/dbraw/zinc/21/63/88/344216388.db2.gz SOZCFFHBCGQCKZ-SNVBAGLBSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@H]([N@H+]1CCCN[C@H](C)C1)C(C)(C)C 162920212 344216421 /nfs/dbraw/zinc/21/64/21/344216421.db2.gz YUTAUFOEGJCCJG-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@H]1C[N@@H+]([C@@H](C)C(C)(C)C)CCCN1 162920331 344216451 /nfs/dbraw/zinc/21/64/51/344216451.db2.gz YUTAUFOEGJCCJG-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@H]([N@H+]1CCNC(C)(C)C1)C(C)(C)C 162928708 344216616 /nfs/dbraw/zinc/21/66/16/344216616.db2.gz SOZCFFHBCGQCKZ-JTQLQIEISA-N 1 1 198.354 2.105 10 0 AEAEMO CCn1c(N)[nH+]c2c(Cl)cccc21 163143825 344219753 /nfs/dbraw/zinc/21/97/53/344219753.db2.gz PAEMFMMRYNALIT-UHFFFAOYSA-N 1 1 195.653 2.292 10 0 AEAEMO Cc1ccoc1[C@H]([NH3+])c1ccoc1 163912867 344233287 /nfs/dbraw/zinc/23/32/87/344233287.db2.gz VFIUZBQMRYSAGZ-SECBINFHSA-N 1 1 177.203 2.229 10 0 AEAEMO CC[C@@H]([NH2+]Cc1ccn[nH]1)C(C)(C)C 163913305 344233350 /nfs/dbraw/zinc/23/33/50/344233350.db2.gz SHYZBMHCEFDBNE-SNVBAGLBSA-N 1 1 195.310 2.324 10 0 AEAEMO CC[C@H]([NH2+]Cc1ccn[nH]1)C(C)(C)C 163913179 344233376 /nfs/dbraw/zinc/23/33/76/344233376.db2.gz SHYZBMHCEFDBNE-JTQLQIEISA-N 1 1 195.310 2.324 10 0 AEAEMO Cc1ccoc1[C@@H]([NH3+])c1ccoc1 163912981 344233441 /nfs/dbraw/zinc/23/34/41/344233441.db2.gz VFIUZBQMRYSAGZ-VIFPVBQESA-N 1 1 177.203 2.229 10 0 AEAEMO CCC(C)(CC)[NH2+]Cc1ccn[nH]1 164090414 344237069 /nfs/dbraw/zinc/23/70/69/344237069.db2.gz QJBWYZRADNTDQQ-UHFFFAOYSA-N 1 1 181.283 2.078 10 0 AEAEMO Fc1ccc(C[NH+]2CCC2)cc1F 165069508 344257886 /nfs/dbraw/zinc/25/78/86/344257886.db2.gz JLWVEBAINMYECR-UHFFFAOYSA-N 1 1 183.201 2.171 10 0 AEAEMO CCc1c(C)[nH+]c2ccccn12 165365696 344262643 /nfs/dbraw/zinc/26/26/43/344262643.db2.gz UZVKCFQTOFCBSK-UHFFFAOYSA-N 1 1 160.220 2.205 10 0 AEAEMO CCC[N@H+]1CCCC1(C)C 165463467 344264551 /nfs/dbraw/zinc/26/45/51/344264551.db2.gz BTKPZXWAJGONDY-UHFFFAOYSA-N 1 1 141.258 2.271 10 0 AEAEMO CC(C)(C)[C@@H]1CC[N@H+](C(C)(C)CN)C1 165967295 344272755 /nfs/dbraw/zinc/27/27/55/344272755.db2.gz VUUFMAUQIXRZAY-SNVBAGLBSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)(C)[C@H]1CC[N@H+](C(C)(C)CN)C1 165967408 344272949 /nfs/dbraw/zinc/27/29/49/344272949.db2.gz VUUFMAUQIXRZAY-JTQLQIEISA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H](N)[C@H](C)[N@H+]1CC[C@H](C(C)(C)C)C1 166038691 344273666 /nfs/dbraw/zinc/27/36/66/344273666.db2.gz VBXFQRWNFFSJLB-DCAQKATOSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)(C)c1ccc([C@H]([NH3+])CN)s1 166069556 344274130 /nfs/dbraw/zinc/27/41/30/344274130.db2.gz NSOOSKSAHHWKNH-SSDOTTSWSA-N 1 1 198.335 2.004 10 0 AEAEMO Cc1cc(NC(C)(C)C)c(C[NH3+])cn1 166360175 344279936 /nfs/dbraw/zinc/27/99/36/344279936.db2.gz VXPVAPQIAMBHMZ-UHFFFAOYSA-N 1 1 193.294 2.059 10 0 AEAEMO CC[C@H]1CC[N@H+]([C@@H]2CCCCC2=O)C1 166460705 344282429 /nfs/dbraw/zinc/28/24/29/344282429.db2.gz GNFOIVJLZGNUCC-WDEREUQCSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC[C@@H]1CC[N@H+]([C@@H]2CCCC2=O)C1 166465933 344282451 /nfs/dbraw/zinc/28/24/51/344282451.db2.gz RRDOXMAVIOPLPN-GHMZBOCLSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@@H]1CC[N@H+]([C@@H]2CCCCC2=O)C1 166460594 344282484 /nfs/dbraw/zinc/28/24/84/344282484.db2.gz GNFOIVJLZGNUCC-GHMZBOCLSA-N 1 1 195.306 2.230 10 0 AEAEMO O=C1CC[NH2+]Cc2cc(Cl)ccc21 166598885 344285395 /nfs/dbraw/zinc/28/53/95/344285395.db2.gz JADWIZHEWFQNCL-UHFFFAOYSA-N 1 1 195.649 2.016 10 0 AEAEMO CC[C@@H]1CC[N@@H+](C[C@@H]2CCCC2=O)C1 166652238 344286713 /nfs/dbraw/zinc/28/67/13/344286713.db2.gz SWWPUMIEUNXOLZ-MNOVXSKESA-N 1 1 195.306 2.088 10 0 AEAEMO Cc1csc([C@@H]2CCC[N@@H+]2C)n1 166778568 344288616 /nfs/dbraw/zinc/28/86/16/344288616.db2.gz DMKHRTOLUYDTAB-QMMMGPOBSA-N 1 1 182.292 2.218 10 0 AEAEMO Cc1csc([C@H]2CCC[N@@H+]2C)n1 166778668 344288861 /nfs/dbraw/zinc/28/88/61/344288861.db2.gz DMKHRTOLUYDTAB-MRVPVSSYSA-N 1 1 182.292 2.218 10 0 AEAEMO CC[N@@H+](C)Cc1ccc2c(c1)NCC2 166891387 344292061 /nfs/dbraw/zinc/29/20/61/344292061.db2.gz LFNLLYSHEAONHI-UHFFFAOYSA-N 1 1 190.290 2.106 10 0 AEAEMO CC[N@H+]1CCC[C@H]1c1cccc(N)c1 167246004 344300715 /nfs/dbraw/zinc/30/07/15/344300715.db2.gz MQDBYRDRMGRFIQ-LBPRGKRZSA-N 1 1 190.290 2.426 10 0 AEAEMO CC[N@H+]1CCC[C@@H]1c1cccc(N)c1 167245893 344300816 /nfs/dbraw/zinc/30/08/16/344300816.db2.gz MQDBYRDRMGRFIQ-GFCCVEGCSA-N 1 1 190.290 2.426 10 0 AEAEMO CCCC/C=C/C[NH+]1CCOCC1 167580807 344308713 /nfs/dbraw/zinc/30/87/13/344308713.db2.gz NXJFRWLHNMULHT-AATRIKPKSA-N 1 1 183.295 2.065 10 0 AEAEMO [NH3+]CC(=O)c1cccc2ccsc12 167752272 344313554 /nfs/dbraw/zinc/31/35/54/344313554.db2.gz QTBXGQUISXIZHR-UHFFFAOYSA-N 1 1 191.255 2.043 10 0 AEAEMO CC(C)CC[C@@]1(O)CC[N@H+]2CCC[C@@H]21 168204977 344324510 /nfs/dbraw/zinc/32/45/10/344324510.db2.gz XUEWLMKYMOHCIH-VXGBXAGGSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)CC[C@]1(O)CC[N@H+]2CCC[C@@H]21 168204901 344324673 /nfs/dbraw/zinc/32/46/73/344324673.db2.gz XUEWLMKYMOHCIH-NEPJUHHUSA-N 1 1 197.322 2.022 10 0 AEAEMO c1c[nH+]c2c(c1)NCC1(CCC1)CN2 168469709 344331325 /nfs/dbraw/zinc/33/13/25/344331325.db2.gz YXULNHUZHBBSTP-UHFFFAOYSA-N 1 1 189.262 2.089 10 0 AEAEMO CC1=CC[N@@H+]([C@H](CN)C(C)(C)C)CC1 168495241 344331959 /nfs/dbraw/zinc/33/19/59/344331959.db2.gz ILWQHPRCPMEOIB-LLVKDONJSA-N 1 1 196.338 2.012 10 0 AEAEMO CC1=CC[N@@H+]([C@@H](CN)C(C)(C)C)CC1 168495130 344332036 /nfs/dbraw/zinc/33/20/36/344332036.db2.gz ILWQHPRCPMEOIB-NSHDSACASA-N 1 1 196.338 2.012 10 0 AEAEMO Cc1nc(NC(C)C)c(C)c(C)[nH+]1 168581937 344332857 /nfs/dbraw/zinc/33/28/57/344332857.db2.gz YMRMMOCMTNVWPS-UHFFFAOYSA-N 1 1 179.267 2.222 10 0 AEAEMO Cc1ccc2c([nH+]1)N[C@@H](C)C=C2 168823644 344338105 /nfs/dbraw/zinc/33/81/05/344338105.db2.gz WFVFFPBIIIKUAR-ZETCQYMHSA-N 1 1 160.220 2.217 10 0 AEAEMO Cc1ccc2c([nH+]1)N[C@H](C)C=C2 168823731 344338313 /nfs/dbraw/zinc/33/83/13/344338313.db2.gz WFVFFPBIIIKUAR-SSDOTTSWSA-N 1 1 160.220 2.217 10 0 AEAEMO CCC(CC)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 169032050 344342999 /nfs/dbraw/zinc/34/29/99/344342999.db2.gz RVOTZTGGOSYZSZ-MNOVXSKESA-N 1 1 196.338 2.001 10 0 AEAEMO CC(C)C1=NN(C(C)(C)C)C(=O)C1[NH3+] 169089048 344344520 /nfs/dbraw/zinc/34/45/20/344344520.db2.gz RJSDMGUPEKJTEG-UHFFFAOYSA-N 1 1 197.282 2.049 10 0 AEAEMO CC(C)N1N=C(C(C)(C)C)C([NH3+])C1=O 169092596 344344642 /nfs/dbraw/zinc/34/46/42/344344642.db2.gz NFGZUJRFGARBJD-UHFFFAOYSA-N 1 1 197.282 2.049 10 0 AEAEMO CC[C@@H](C)N1N=C(C(C)C)C([NH3+])C1=O 169096677 344345230 /nfs/dbraw/zinc/34/52/30/344345230.db2.gz JSXZBSSIGPOLKH-SSDOTTSWSA-N 1 1 197.282 2.265 10 0 AEAEMO CC[C@H](C)N1N=C(C2CC2)C([NH3+])C1=O 169097500 344345243 /nfs/dbraw/zinc/34/52/43/344345243.db2.gz XBPMRZVSQSSTMM-LURJTMIESA-N 1 1 195.266 2.019 10 0 AEAEMO CC[C@H](C)N1N=C(C(C)C)C([NH3+])C1=O 169096766 344345271 /nfs/dbraw/zinc/34/52/71/344345271.db2.gz JSXZBSSIGPOLKH-ZETCQYMHSA-N 1 1 197.282 2.265 10 0 AEAEMO CC[C@@H](C)N1N=C(C2CC2)C([NH3+])C1=O 169097423 344345364 /nfs/dbraw/zinc/34/53/64/344345364.db2.gz XBPMRZVSQSSTMM-ZCFIWIBFSA-N 1 1 195.266 2.019 10 0 AEAEMO CC(C)[NH2+][C@H]1C[C@@H](N)c2ccccc21 169230830 344349287 /nfs/dbraw/zinc/34/92/87/344349287.db2.gz YEGCGYFQKOVTNL-NEPJUHHUSA-N 1 1 190.290 2.129 10 0 AEAEMO CC(C)[NH2+][C@@H]1C[C@@H](N)c2ccccc21 169230759 344349299 /nfs/dbraw/zinc/34/92/99/344349299.db2.gz YEGCGYFQKOVTNL-VXGBXAGGSA-N 1 1 190.290 2.129 10 0 AEAEMO CC(C)[NH2+][C@H]1C[C@H](N)c2ccccc21 169230687 344349547 /nfs/dbraw/zinc/34/95/47/344349547.db2.gz YEGCGYFQKOVTNL-RYUDHWBXSA-N 1 1 190.290 2.129 10 0 AEAEMO CC(C)[NH2+][C@@H]1C[C@H](N)c2ccccc21 169230603 344349627 /nfs/dbraw/zinc/34/96/27/344349627.db2.gz YEGCGYFQKOVTNL-NWDGAFQWSA-N 1 1 190.290 2.129 10 0 AEAEMO CCCCC[C@H](C)[N@H+]1CC[C@@H](CO)C1 169676119 344351329 /nfs/dbraw/zinc/35/13/29/344351329.db2.gz FINYFXUHZCHWIA-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CCCC[N@H+]1CCO[C@H]1CC(C)C 196825084 344359055 /nfs/dbraw/zinc/35/90/55/344359055.db2.gz BXEMOWKMFUWRPI-NSHDSACASA-N 1 1 185.311 2.491 10 0 AEAEMO CCCC[N@H+]1CCO[C@@H]1CC(C)C 196825072 344359071 /nfs/dbraw/zinc/35/90/71/344359071.db2.gz BXEMOWKMFUWRPI-LLVKDONJSA-N 1 1 185.311 2.491 10 0 AEAEMO CC(C)[N@H+]1CCC[C@](C)(F)C1 200729229 344363441 /nfs/dbraw/zinc/36/34/41/344363441.db2.gz UMTAAXWXVJOWOS-VIFPVBQESA-N 1 1 159.248 2.219 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@](C)(F)C1 200729189 344363475 /nfs/dbraw/zinc/36/34/75/344363475.db2.gz UMTAAXWXVJOWOS-SECBINFHSA-N 1 1 159.248 2.219 10 0 AEAEMO CCSCC[N@H+]1CCC[C@H](C)C1 201129770 344364136 /nfs/dbraw/zinc/36/41/36/344364136.db2.gz GBSZPQASCJICQP-JTQLQIEISA-N 1 1 187.352 2.471 10 0 AEAEMO CCSCC[N@H+]1CCC[C@@H](C)C1 201129811 344364229 /nfs/dbraw/zinc/36/42/29/344364229.db2.gz GBSZPQASCJICQP-SNVBAGLBSA-N 1 1 187.352 2.471 10 0 AEAEMO CC(C)[C@@H]1[NH2+][C@@H]1c1ccccc1 201172203 344364890 /nfs/dbraw/zinc/36/48/90/344364890.db2.gz FBPLCKGWKGGAQI-WDEREUQCSA-N 1 1 161.248 2.356 10 0 AEAEMO CNC(C)(C)C[N@H+]1CC[C@H](C)C[C@@H]1C 216325945 344396535 /nfs/dbraw/zinc/39/65/35/344396535.db2.gz MKHSSHZCFTWQJL-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CNC(C)(C)C[N@H+]1CC[C@@H](C)C[C@@H]1C 216325892 344396747 /nfs/dbraw/zinc/39/67/47/344396747.db2.gz MKHSSHZCFTWQJL-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CC[NH2+][C@H]1CCN(C2CCC2)[C@@H](C)C1 216369326 344397031 /nfs/dbraw/zinc/39/70/31/344397031.db2.gz LOOYVEQIEXAJBM-QWRGUYRKSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[NH2+][C@@H]1CCN(C2CCC2)[C@@H](C)C1 216369279 344397175 /nfs/dbraw/zinc/39/71/75/344397175.db2.gz LOOYVEQIEXAJBM-WDEREUQCSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@](C)(CN)[N@H+]1CCC[C@@H](C)CC1 216798595 344399158 /nfs/dbraw/zinc/39/91/58/344399158.db2.gz FKALURXUCXLPRX-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@](C)(CN)[N@H+]1CCC[C@@H](C)CC1 216798634 344399241 /nfs/dbraw/zinc/39/92/41/344399241.db2.gz FKALURXUCXLPRX-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)[C@@H](CN)[N@H+]1CCC[C@@H](C)CC1 216797524 344399264 /nfs/dbraw/zinc/39/92/64/344399264.db2.gz DUZSVLVWXGFTDR-VXGBXAGGSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](N)[C@@H](C)[N@H+]1CCC[C@@H](C)CC1 216806878 344399281 /nfs/dbraw/zinc/39/92/81/344399281.db2.gz CUCRGBQHZVIHFU-UTUOFQBUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](N)[C@H](C)[N@H+]1CCC[C@@H](C)CC1 216806956 344399365 /nfs/dbraw/zinc/39/93/65/344399365.db2.gz CUCRGBQHZVIHFU-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](C(C)C)[C@@H]1C[C@@H](C)CC[C@@H]1O 216903569 344399801 /nfs/dbraw/zinc/39/98/01/344399801.db2.gz MYISEDQUOLWHGW-TUAOUCFPSA-N 1 1 199.338 2.266 10 0 AEAEMO CC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C)CC1 216825280 344399847 /nfs/dbraw/zinc/39/98/47/344399847.db2.gz JXLFWXJVENGTMQ-NXEZZACHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC1CCC([N@H+](C)[C@@H](C)[C@H](C)O)CC1 216978106 344400453 /nfs/dbraw/zinc/40/04/53/344400453.db2.gz BIPMVVVHBVCSQL-YECOWLKZSA-N 1 1 199.338 2.266 10 0 AEAEMO Cc1cccc(C)c1C(F)(F)C[NH3+] 217009722 344400520 /nfs/dbraw/zinc/40/05/20/344400520.db2.gz OVUDHEPLXTZVTK-UHFFFAOYSA-N 1 1 185.217 2.354 10 0 AEAEMO CC1CCC([N@H+](C)[C@H](C)[C@H](C)O)CC1 216978090 344400559 /nfs/dbraw/zinc/40/05/59/344400559.db2.gz BIPMVVVHBVCSQL-UPOSSJBDSA-N 1 1 199.338 2.266 10 0 AEAEMO CC(C)[C@@](C)(CN)[N@H+]1CCC[C@@H](C)C1 217703284 344405131 /nfs/dbraw/zinc/40/51/31/344405131.db2.gz KLAWGWLDSMLQAY-VXGBXAGGSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)[C@@](C)(CN)[N@H+]1CCCC[C@@H]1C 217774610 344406030 /nfs/dbraw/zinc/40/60/30/344406030.db2.gz DDZMWCNKLFFBAN-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H](N)[C@H]([N@H+]1CC[C@@H](C)C1)C(C)(C)C 218013035 344408794 /nfs/dbraw/zinc/40/87/94/344408794.db2.gz FXURRWMMOJXTKX-VWYCJHECSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@@H]1CC[N@H+]([C@H]([C@@H](C)N)C(C)(C)C)C1 218012870 344408812 /nfs/dbraw/zinc/40/88/12/344408812.db2.gz FXURRWMMOJXTKX-GMTAPVOTSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H](N)[C@@H]([N@H+]1CC[C@@H](C)C1)C(C)(C)C 218012942 344408837 /nfs/dbraw/zinc/40/88/37/344408837.db2.gz FXURRWMMOJXTKX-OUAUKWLOSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H](N)[C@H]([N@H+]1CCC[C@@H]1C)C(C)(C)C 218012013 344408967 /nfs/dbraw/zinc/40/89/67/344408967.db2.gz YVQHHZBHSUGOSV-DCAQKATOSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(=O)C[C@@H](C)[N@H+]1C[C@@H](C)C[C@@H](C)C1 218137098 344409892 /nfs/dbraw/zinc/40/98/92/344409892.db2.gz ZYOWUTQKKIKLHL-OUAUKWLOSA-N 1 1 197.322 2.332 10 0 AEAEMO C[C@H](O)C[C@H](C)[N@H+]1CCCC[C@@H]1C 218708457 344415139 /nfs/dbraw/zinc/41/51/39/344415139.db2.gz JNONPYWGXUDCFN-DCAQKATOSA-N 1 1 185.311 2.020 10 0 AEAEMO C[C@H](O)C[C@@H](C)[N@H+]1CCC[C@@H](C)CC1 218716403 344415395 /nfs/dbraw/zinc/41/53/95/344415395.db2.gz VZDZIBCNGRMZSS-UTUOFQBUSA-N 1 1 199.338 2.268 10 0 AEAEMO CNc1ccc([C@@H]2CC[N@@H+](C)C2)cc1 218786071 344416341 /nfs/dbraw/zinc/41/63/41/344416341.db2.gz RQSLHUNYTBCKFS-LLVKDONJSA-N 1 1 190.290 2.147 10 0 AEAEMO Cc1cccc(-c2[nH]c(N)[nH+]c2C)c1 219288254 344421900 /nfs/dbraw/zinc/42/19/00/344421900.db2.gz WFARJRRAXQTLCL-UHFFFAOYSA-N 1 1 187.246 2.276 10 0 AEAEMO CC[C@H](O)C[N@H+]1CCCCC[C@@H]1CC 219296447 344422090 /nfs/dbraw/zinc/42/20/90/344422090.db2.gz BUKLKOUUCFLXQJ-RYUDHWBXSA-N 1 1 199.338 2.412 10 0 AEAEMO CC[N@H+]1CCC[C@H]1c1ccc(N)cc1 219320811 344422442 /nfs/dbraw/zinc/42/24/42/344422442.db2.gz OWYNWCBAWLIVMD-LBPRGKRZSA-N 1 1 190.290 2.426 10 0 AEAEMO c1ccn([C@H]2CC[N@H+]3CCCC[C@@H]23)c1 219315554 344422447 /nfs/dbraw/zinc/42/24/47/344422447.db2.gz NBUNOUIMTBPRPH-RYUDHWBXSA-N 1 1 190.290 2.287 10 0 AEAEMO CC[N@H+]1CC[C@@H](c2ccc(N)cc2)C1 219320883 344422479 /nfs/dbraw/zinc/42/24/79/344422479.db2.gz KPADWQQMSDKCAP-LLVKDONJSA-N 1 1 190.290 2.078 10 0 AEAEMO CC[N@H+]1CCC[C@@H]1c1ccc(N)cc1 219320781 344422518 /nfs/dbraw/zinc/42/25/18/344422518.db2.gz OWYNWCBAWLIVMD-GFCCVEGCSA-N 1 1 190.290 2.426 10 0 AEAEMO C[N@@H+]1CCCCC[C@H]1C(F)F 219509765 344424707 /nfs/dbraw/zinc/42/47/07/344424707.db2.gz FXXVNGGJZWHZLH-ZETCQYMHSA-N 1 1 163.211 2.126 10 0 AEAEMO C[N@H+]1CCCCC[C@H]1C(F)F 219509765 344424708 /nfs/dbraw/zinc/42/47/08/344424708.db2.gz FXXVNGGJZWHZLH-ZETCQYMHSA-N 1 1 163.211 2.126 10 0 AEAEMO CCC(C)(C)C[N@H+]1CCNC(C)(C)C1 219527179 344425027 /nfs/dbraw/zinc/42/50/27/344425027.db2.gz YATUDGVBWTUMOV-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC(C)(C)CN1CC[NH2+]C(C)(C)C1 219527179 344425030 /nfs/dbraw/zinc/42/50/30/344425030.db2.gz YATUDGVBWTUMOV-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[N@@H+](C)C1(CN)C[C@H](C)C[C@@H](C)C1 219634041 344426091 /nfs/dbraw/zinc/42/60/91/344426091.db2.gz TYSNEAQUUIXKGI-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1C[N@@H+]([C@H]2CCCCC2=O)C[C@@H]1C 219699436 344426941 /nfs/dbraw/zinc/42/69/41/344426941.db2.gz FQMHHNIIDILXBH-AXFHLTTASA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@H](C(C)C)[N@H+]1CCC(=O)[C@@H](C)C1 219739960 344427531 /nfs/dbraw/zinc/42/75/31/344427531.db2.gz CSSQBWTXQUKEMU-WDEREUQCSA-N 1 1 197.322 2.332 10 0 AEAEMO CC[C@@H](C(C)C)[N@H+]1CCC(=O)[C@@H](C)C1 219739883 344427629 /nfs/dbraw/zinc/42/76/29/344427629.db2.gz CSSQBWTXQUKEMU-QWRGUYRKSA-N 1 1 197.322 2.332 10 0 AEAEMO CCNc1[nH+]c2ccc(F)cc2n1C 219727906 344427666 /nfs/dbraw/zinc/42/76/66/344427666.db2.gz CQVQDQKOESSMMM-UHFFFAOYSA-N 1 1 193.225 2.144 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@H+]1CCC(=O)[C@@H](C)C1 219739263 344427670 /nfs/dbraw/zinc/42/76/70/344427670.db2.gz YQQLCBUKYOHHRA-DCAQKATOSA-N 1 1 197.322 2.332 10 0 AEAEMO CC[C@H](C)[C@@H](C)[N@H+]1CCC(=O)[C@@H](C)C1 219739128 344427773 /nfs/dbraw/zinc/42/77/73/344427773.db2.gz YQQLCBUKYOHHRA-GARJFASQSA-N 1 1 197.322 2.332 10 0 AEAEMO CC[N@@H+](C)C[C@@H]1C(=O)C[C@@H](C)C[C@@H]1C 219901595 344429582 /nfs/dbraw/zinc/42/95/82/344429582.db2.gz YWVLUXUGZQKMSE-DCAQKATOSA-N 1 1 197.322 2.189 10 0 AEAEMO CC(C)[C@@H](C)[N@H+](C)[C@@H]1CC[C@@H](C)NC1 219955530 344429680 /nfs/dbraw/zinc/42/96/80/344429680.db2.gz YNWKDAIGQLSUAV-IJLUTSLNSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)[C@@H]1CC[C@@H](C)NC1 219955530 344429682 /nfs/dbraw/zinc/42/96/82/344429682.db2.gz YNWKDAIGQLSUAV-IJLUTSLNSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)[N@H+]1CCOC[C@@H]1C(C)(C)C 220394905 344432238 /nfs/dbraw/zinc/43/22/38/344432238.db2.gz VXWBLTDOFPBXJI-SNVBAGLBSA-N 1 1 185.311 2.142 10 0 AEAEMO CC(C)[N@H+]1CCOC[C@H]1C(C)(C)C 220394972 344432260 /nfs/dbraw/zinc/43/22/60/344432260.db2.gz VXWBLTDOFPBXJI-JTQLQIEISA-N 1 1 185.311 2.142 10 0 AEAEMO CC[N@@H+](C)[C@]1(CN)CC[C@@H](C)[C@@H](C)C1 220693713 344434122 /nfs/dbraw/zinc/43/41/22/344434122.db2.gz MJURBTKERSUNLD-GRYCIOLGSA-N 1 1 198.354 2.092 10 0 AEAEMO CCN(C)[C@]1(C[NH3+])CC[C@@H](C)[C@@H](C)C1 220693713 344434124 /nfs/dbraw/zinc/43/41/24/344434124.db2.gz MJURBTKERSUNLD-GRYCIOLGSA-N 1 1 198.354 2.092 10 0 AEAEMO CN[C@@H]1CCC[C@@H]1[N@@H+]1CCCC1(C)C 220874323 344436308 /nfs/dbraw/zinc/43/63/08/344436308.db2.gz CYQNFARKYXKUAG-MNOVXSKESA-N 1 1 196.338 2.001 10 0 AEAEMO CN[C@@H]1CCC[C@@H]1[N@H+]1CCCC1(C)C 220874323 344436310 /nfs/dbraw/zinc/43/63/10/344436310.db2.gz CYQNFARKYXKUAG-MNOVXSKESA-N 1 1 196.338 2.001 10 0 AEAEMO CN[C@@H]1CCC[C@H]1[N@@H+]1CCCC1(C)C 220874378 344436480 /nfs/dbraw/zinc/43/64/80/344436480.db2.gz CYQNFARKYXKUAG-GHMZBOCLSA-N 1 1 196.338 2.001 10 0 AEAEMO CN[C@@H]1CCC[C@H]1[N@H+]1CCCC1(C)C 220874378 344436482 /nfs/dbraw/zinc/43/64/82/344436482.db2.gz CYQNFARKYXKUAG-GHMZBOCLSA-N 1 1 196.338 2.001 10 0 AEAEMO CC(C)[N@@H+]1CCC[C@H]1C(F)F 221136545 344438135 /nfs/dbraw/zinc/43/81/35/344438135.db2.gz NFVNJAFEVCJPNH-ZETCQYMHSA-N 1 1 163.211 2.124 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H]1C(F)F 221136545 344438137 /nfs/dbraw/zinc/43/81/37/344438137.db2.gz NFVNJAFEVCJPNH-ZETCQYMHSA-N 1 1 163.211 2.124 10 0 AEAEMO C[C@H]1CC[N@@H+](CCC(C)(C)O)[C@@H](C)C1 221275616 344441043 /nfs/dbraw/zinc/44/10/43/344441043.db2.gz GQFPSTSMIBPNKY-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H]1C[C@H](C)CC[N@H+]1CCC(C)(C)O 221275559 344441262 /nfs/dbraw/zinc/44/12/62/344441262.db2.gz GQFPSTSMIBPNKY-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)C(=O)C[N@H+]1CC[C@H](C)C[C@@H]1C 221709714 344445582 /nfs/dbraw/zinc/44/55/82/344445582.db2.gz KPXMDPPGADTGGD-QWRGUYRKSA-N 1 1 197.322 2.332 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCC(=O)[C@@H](C)[C@@H]1C 221940822 344447457 /nfs/dbraw/zinc/44/74/57/344447457.db2.gz GEUJVVZZPYSHBV-DCAQKATOSA-N 1 1 197.322 2.332 10 0 AEAEMO CC[C@@H]1CC[C@@H](O)[C@@H]([N@@H+](C)C(C)C)C1 222007134 344447995 /nfs/dbraw/zinc/44/79/95/344447995.db2.gz XYFIRVMFOONGFM-GRYCIOLGSA-N 1 1 199.338 2.266 10 0 AEAEMO CC[C@@H]1CC[C@H](O)[C@@H]([N@@H+](C)C(C)C)C1 222007245 344448031 /nfs/dbraw/zinc/44/80/31/344448031.db2.gz XYFIRVMFOONGFM-WOPDTQHZSA-N 1 1 199.338 2.266 10 0 AEAEMO CC[N@@H+](C)[C@]1(CN)CCC[C@@H](C)[C@@H]1C 222111412 344449111 /nfs/dbraw/zinc/44/91/11/344449111.db2.gz WORRKUGDUPZZRN-WOPDTQHZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](C)[C@]1(CN)C[C@@H](C)CC[C@@H]1C 222111143 344449352 /nfs/dbraw/zinc/44/93/52/344449352.db2.gz ABESIVUXWNMHMB-SRVKXCTJSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H]1c1ncco1 222201068 344449820 /nfs/dbraw/zinc/44/98/20/344449820.db2.gz DITYASZGGRBMOS-VIFPVBQESA-N 1 1 180.251 2.220 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H]1c1ncco1 222201005 344449931 /nfs/dbraw/zinc/44/99/31/344449931.db2.gz DITYASZGGRBMOS-SECBINFHSA-N 1 1 180.251 2.220 10 0 AEAEMO Cc1cc(N)[nH+]c(-c2ccncc2)c1 222456436 344452291 /nfs/dbraw/zinc/45/22/91/344452291.db2.gz QKJNBPMTIFBOBC-UHFFFAOYSA-N 1 1 185.230 2.034 10 0 AEAEMO CC[N@@H+](C1CCCC1)[C@@H]1CC[C@@H]([NH3+])C1 223121000 344456591 /nfs/dbraw/zinc/45/65/91/344456591.db2.gz RKDFUXQNCYERDA-ZYHUDNBSSA-N 1 1 196.338 2.131 10 0 AEAEMO C[N@@H+](C1CCCC1)[C@@H]1CCC[C@@H]([NH3+])C1 223116381 344456678 /nfs/dbraw/zinc/45/66/78/344456678.db2.gz ZOQJLWSRYUOZCH-ZYHUDNBSSA-N 1 1 196.338 2.131 10 0 AEAEMO C[N@@H+](C1CCCC1)[C@H]1CCC[C@@H]([NH3+])C1 223116435 344456794 /nfs/dbraw/zinc/45/67/94/344456794.db2.gz ZOQJLWSRYUOZCH-PWSUYJOCSA-N 1 1 196.338 2.131 10 0 AEAEMO CCC1CCN(c2[nH]cc[nH+]2)CC1 223568166 344460811 /nfs/dbraw/zinc/46/08/11/344460811.db2.gz TYXNJOKUAWUOCN-UHFFFAOYSA-N 1 1 179.267 2.036 10 0 AEAEMO CC[C@@H]1C[N@@H+](C(C)C)[C@@H](C(C)C)CN1 223913373 344464077 /nfs/dbraw/zinc/46/40/77/344464077.db2.gz RVZZGDUJZIJGMN-VXGBXAGGSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H]1C[N@@H+](C(C)C)[C@@H](C(C)C)CN1 223913429 344464309 /nfs/dbraw/zinc/46/43/09/344464309.db2.gz RVZZGDUJZIJGMN-NWDGAFQWSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H]1C[N@@H+](CC)[C@@H](C(C)(C)C)CN1 223963731 344464861 /nfs/dbraw/zinc/46/48/61/344464861.db2.gz PCZTYJZCIXFXTF-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CN(CC)[C@@H](C(C)(C)C)C[NH2+]1 223963731 344464863 /nfs/dbraw/zinc/46/48/63/344464863.db2.gz PCZTYJZCIXFXTF-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1C[N@@H+](CC)[C@@H](C(C)(C)C)CN1 223963671 344465011 /nfs/dbraw/zinc/46/50/11/344465011.db2.gz PCZTYJZCIXFXTF-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CN(CC)[C@@H](C(C)(C)C)C[NH2+]1 223963671 344465013 /nfs/dbraw/zinc/46/50/13/344465013.db2.gz PCZTYJZCIXFXTF-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@@H]1C[N@@H+](C(C)C)[C@@H](C)CN1 224071022 344465748 /nfs/dbraw/zinc/46/57/48/344465748.db2.gz PSADAUQHOBHJAZ-SRVKXCTJSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H](C)[C@@H]1CN(C(C)C)[C@@H](C)C[NH2+]1 224071022 344465752 /nfs/dbraw/zinc/46/57/52/344465752.db2.gz PSADAUQHOBHJAZ-SRVKXCTJSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H](C)[C@H]1C[N@@H+](C(C)C)[C@@H](C)CN1 224071124 344465960 /nfs/dbraw/zinc/46/59/60/344465960.db2.gz PSADAUQHOBHJAZ-SDDRHHMPSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H](C)[C@H]1CN(C(C)C)[C@@H](C)C[NH2+]1 224071124 344465961 /nfs/dbraw/zinc/46/59/61/344465961.db2.gz PSADAUQHOBHJAZ-SDDRHHMPSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@]1(C)C[N@@H+](CC(C)C)[C@@H](C)CN1 224168910 344466148 /nfs/dbraw/zinc/46/61/48/344466148.db2.gz ADHIZNOKQGCPAK-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@]1(C)C[N@@H+](CC(C)C)[C@@H](C)CN1 224168861 344466503 /nfs/dbraw/zinc/46/65/03/344466503.db2.gz ADHIZNOKQGCPAK-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@]1(C)C[N@@H+](C)[C@@H](C(C)(C)C)CN1 224213936 344466808 /nfs/dbraw/zinc/46/68/08/344466808.db2.gz XKVLWODTKFBHPW-PWSUYJOCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@]1(C)CN(C)[C@@H](C(C)(C)C)C[NH2+]1 224213936 344466810 /nfs/dbraw/zinc/46/68/10/344466810.db2.gz XKVLWODTKFBHPW-PWSUYJOCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@]1(C)C[N@@H+](C)[C@@H](CC(C)C)CN1 224196233 344466871 /nfs/dbraw/zinc/46/68/71/344466871.db2.gz UQTZYGQSATZRPE-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@]1(C)CN(C)[C@@H](CC(C)C)C[NH2+]1 224196233 344466874 /nfs/dbraw/zinc/46/68/74/344466874.db2.gz UQTZYGQSATZRPE-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@]1(C)C[N@@H+](C)[C@@H](CC(C)C)CN1 224196183 344466916 /nfs/dbraw/zinc/46/69/16/344466916.db2.gz UQTZYGQSATZRPE-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@]1(C)CN(C)[C@@H](CC(C)C)C[NH2+]1 224196183 344466919 /nfs/dbraw/zinc/46/69/19/344466919.db2.gz UQTZYGQSATZRPE-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@H+]1C[C@](C)(CC)NC[C@@H]1C(C)C 224180803 344466999 /nfs/dbraw/zinc/46/69/99/344466999.db2.gz WUNMHCKEDNHSDJ-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCN1C[C@](C)(CC)[NH2+]C[C@@H]1C(C)C 224180803 344467001 /nfs/dbraw/zinc/46/70/01/344467001.db2.gz WUNMHCKEDNHSDJ-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@]1(C)C[N@@H+](C)[C@@H](C(C)(C)C)CN1 224213990 344467087 /nfs/dbraw/zinc/46/70/87/344467087.db2.gz XKVLWODTKFBHPW-ZYHUDNBSSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@]1(C)CN(C)[C@@H](C(C)(C)C)C[NH2+]1 224213990 344467089 /nfs/dbraw/zinc/46/70/89/344467089.db2.gz XKVLWODTKFBHPW-ZYHUDNBSSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@H+]1C[C@@](C)(CC)NC[C@@H]1C(C)C 224180754 344467121 /nfs/dbraw/zinc/46/71/21/344467121.db2.gz WUNMHCKEDNHSDJ-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCN1C[C@@](C)(CC)[NH2+]C[C@@H]1C(C)C 224180754 344467123 /nfs/dbraw/zinc/46/71/23/344467123.db2.gz WUNMHCKEDNHSDJ-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H]1C[N@@H+](C(C)C)[C@@H](C)CCN1 224379274 344468322 /nfs/dbraw/zinc/46/83/22/344468322.db2.gz LQRGDMGURGSBKJ-NWDGAFQWSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@@H]1CN(C(C)C)[C@@H](C)CC[NH2+]1 224379274 344468324 /nfs/dbraw/zinc/46/83/24/344468324.db2.gz LQRGDMGURGSBKJ-NWDGAFQWSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@H]1C[N@@H+](C(C)C)[C@@H](C)CCN1 224379318 344468354 /nfs/dbraw/zinc/46/83/54/344468354.db2.gz LQRGDMGURGSBKJ-RYUDHWBXSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@H]1CN(C(C)C)[C@@H](C)CC[NH2+]1 224379318 344468356 /nfs/dbraw/zinc/46/83/56/344468356.db2.gz LQRGDMGURGSBKJ-RYUDHWBXSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](C)C[N@H+]1C[C@@H](C)NCC[C@@H]1C 224371392 344468433 /nfs/dbraw/zinc/46/84/33/344468433.db2.gz BEEDRJMVHBQZAW-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1C[N@@H+](CC(C)C)[C@@H](C)CCN1 224392837 344468501 /nfs/dbraw/zinc/46/85/01/344468501.db2.gz LQKTYXFSDYPNKW-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@]1(C)C[N@@H+](C(C)C)[C@@H](C)CCN1 224410405 344468944 /nfs/dbraw/zinc/46/89/44/344468944.db2.gz CFZZPNPSPQUYLB-NWDGAFQWSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@]1(C)C[N@@H+](C(C)C)[C@@H](C)CCN1 224410361 344469099 /nfs/dbraw/zinc/46/90/99/344469099.db2.gz CFZZPNPSPQUYLB-RYUDHWBXSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+]1CC[C@@H](C)C[C@@H]1C 224483540 344469773 /nfs/dbraw/zinc/46/97/73/344469773.db2.gz TYAAXAMJMHOCKO-VWYCJHECSA-N 1 1 197.322 2.474 10 0 AEAEMO CC[C@](C)(CN)[N@H+]1CCC[C@@H](C)[C@@H]1C 224676819 344472149 /nfs/dbraw/zinc/47/21/49/344472149.db2.gz VORNBBYYNBJGCE-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(=O)[C@H](C)[N@H+]1CCC[C@@H](C)[C@@H]1C 224711185 344472374 /nfs/dbraw/zinc/47/23/74/344472374.db2.gz HKBXDGCFZKDCOE-UTLUCORTSA-N 1 1 183.295 2.084 10 0 AEAEMO CC(=O)CC[N@@H+]1CCC[C@@H](C)[C@@H]1C 224710625 344472563 /nfs/dbraw/zinc/47/25/63/344472563.db2.gz MHQYSYOYEHGNRI-KOLCDFICSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(=O)CC[N@@H+]1CCC[C@H](C)[C@@H]1C 224710677 344472788 /nfs/dbraw/zinc/47/27/88/344472788.db2.gz MHQYSYOYEHGNRI-ONGXEEELSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)C[C@@H](C)[N@H+]1C[C@H](C)N[C@H](C)C1 225155509 344477242 /nfs/dbraw/zinc/47/72/42/344477242.db2.gz DLKUHZGNEZCVNN-GRYCIOLGSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H](C)[N@H+]1CCN[C@@H](C(C)(C)C)C1 225299342 344479412 /nfs/dbraw/zinc/47/94/12/344479412.db2.gz WMFKYHMZUFIDMU-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)N1CC[NH2+][C@@H](C(C)(C)C)C1 225299342 344479415 /nfs/dbraw/zinc/47/94/15/344479415.db2.gz WMFKYHMZUFIDMU-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCN[C@@H](C(C)(C)C)C1 225299307 344479625 /nfs/dbraw/zinc/47/96/25/344479625.db2.gz WMFKYHMZUFIDMU-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)N1CC[NH2+][C@@H](C(C)(C)C)C1 225299307 344479627 /nfs/dbraw/zinc/47/96/27/344479627.db2.gz WMFKYHMZUFIDMU-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[C@H]1CN[C@H](C)C[N@H+]1C(C)(C)C 225386394 344480395 /nfs/dbraw/zinc/48/03/95/344480395.db2.gz JGJATLYVGWDUJU-GHMZBOCLSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)[C@H]1CN[C@@H](C)C[N@H+]1C(C)(C)C 225385903 344480633 /nfs/dbraw/zinc/48/06/33/344480633.db2.gz JGJATLYVGWDUJU-WDEREUQCSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@@H](C)NC[C@@H]1C(C)C 225403859 344480891 /nfs/dbraw/zinc/48/08/91/344480891.db2.gz CYARXZUFLWBZLG-GRYCIOLGSA-N 1 1 198.354 2.103 10 0 AEAEMO C[N@@H+](CC(C)(C)C)[C@H]1CCC[C@@H](O)C1 225437751 344480942 /nfs/dbraw/zinc/48/09/42/344480942.db2.gz RZOHQXDKRLKKNR-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO C[N@@H+](CC1CCC1)[C@@H]1CCC[C@@H](O)C1 225439345 344481030 /nfs/dbraw/zinc/48/10/30/344481030.db2.gz MDOMFMPWNYTUOP-VXGBXAGGSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@@H+](CC(C)(C)C)[C@@H]1CCC[C@@H](O)C1 225437714 344481143 /nfs/dbraw/zinc/48/11/43/344481143.db2.gz RZOHQXDKRLKKNR-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)[C@@H]1CCC[C@@H](O)C1 225431209 344481194 /nfs/dbraw/zinc/48/11/94/344481194.db2.gz OZXCDLHLMQPFTM-QJPTWQEYSA-N 1 1 199.338 2.266 10 0 AEAEMO C[C@H]1CC[N@@H+](CC(=O)C2CC2)[C@@H](C)C1 225504243 344482273 /nfs/dbraw/zinc/48/22/73/344482273.db2.gz RCVLQWNIXSAJOI-UWVGGRQHSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@H]1C[C@H](C)CC[N@H+]1CC(=O)C1CC1 225504211 344482283 /nfs/dbraw/zinc/48/22/83/344482283.db2.gz RCVLQWNIXSAJOI-ZJUUUORDSA-N 1 1 195.306 2.086 10 0 AEAEMO CCC[C@@H]1C[N@H+](C(C)(C)C)[C@@H](C)CN1 225570358 344483364 /nfs/dbraw/zinc/48/33/64/344483364.db2.gz NRRJGXOLTXDNAE-WDEREUQCSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@@H]1CN(C(C)(C)C)[C@@H](C)C[NH2+]1 225570358 344483367 /nfs/dbraw/zinc/48/33/67/344483367.db2.gz NRRJGXOLTXDNAE-WDEREUQCSA-N 1 1 198.354 2.247 10 0 AEAEMO CC(C)[C@@H](C)[N@H+]1CC(C)(C)NC[C@@H]1C 225622577 344483396 /nfs/dbraw/zinc/48/33/96/344483396.db2.gz YDJYBKNJUZIEDH-WDEREUQCSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H]1C[N@@H+](CC(C)(C)C)[C@@H](C)CN1 225678451 344483889 /nfs/dbraw/zinc/48/38/89/344483889.db2.gz DYXRCQREBSXOCI-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CN(CC(C)(C)C)[C@@H](C)C[NH2+]1 225678451 344483892 /nfs/dbraw/zinc/48/38/92/344483892.db2.gz DYXRCQREBSXOCI-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1C[N@@H+](CC(C)(C)C)[C@@H](C)CN1 225678427 344484067 /nfs/dbraw/zinc/48/40/67/344484067.db2.gz DYXRCQREBSXOCI-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CN(CC(C)(C)C)[C@@H](C)C[NH2+]1 225678427 344484069 /nfs/dbraw/zinc/48/40/69/344484069.db2.gz DYXRCQREBSXOCI-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[C@@H](CN)[N@H+]1CC[C@@H](C)C[C@@H]1C 225699378 344484318 /nfs/dbraw/zinc/48/43/18/344484318.db2.gz VLSRKEYRSMDJTL-GRYCIOLGSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@H](CN)[N@H+]1CC[C@@H](C)C[C@@H]1C 225699402 344484652 /nfs/dbraw/zinc/48/46/52/344484652.db2.gz VLSRKEYRSMDJTL-WOPDTQHZSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@](C)(CN)[N@H+]1CC[C@@H](C)C[C@@H]1C 225700867 344484803 /nfs/dbraw/zinc/48/48/03/344484803.db2.gz YITYNKAGYCUMLM-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO C[N@H+](C1CCCCC1)[C@@H]1CC[C@@H](O)C1 225739189 344485103 /nfs/dbraw/zinc/48/51/03/344485103.db2.gz AYCKIRMVYNPCHR-VXGBXAGGSA-N 1 1 197.322 2.164 10 0 AEAEMO C[N@H+](C1CCCCC1)[C@H]1CC[C@@H](O)C1 225739220 344485133 /nfs/dbraw/zinc/48/51/33/344485133.db2.gz AYCKIRMVYNPCHR-NWDGAFQWSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[N@@H+](C1CCCC1)[C@H]1CC[C@@H](O)C1 225742150 344485203 /nfs/dbraw/zinc/48/52/03/344485203.db2.gz JXQQZJJVGHPEQL-NWDGAFQWSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[N@@H+](C1CCCC1)[C@@H]1CC[C@@H](O)C1 225742118 344485338 /nfs/dbraw/zinc/48/53/38/344485338.db2.gz JXQQZJJVGHPEQL-VXGBXAGGSA-N 1 1 197.322 2.164 10 0 AEAEMO CC(=O)CC[N@@H+]1CC[C@H](C)C[C@@H]1C 225741747 344485419 /nfs/dbraw/zinc/48/54/19/344485419.db2.gz WOBYJZUDVVQBON-UWVGGRQHSA-N 1 1 183.295 2.086 10 0 AEAEMO C[C@H]([N@@H+](C)[C@@H]1CC[C@@H](O)C1)C(C)(C)C 225744035 344485765 /nfs/dbraw/zinc/48/57/65/344485765.db2.gz KHZATXNPRJNNJR-HBNTYKKESA-N 1 1 199.338 2.266 10 0 AEAEMO C[N@@H+](CC1CCCC1)[C@H]1CC[C@@H](O)C1 225750506 344485788 /nfs/dbraw/zinc/48/57/88/344485788.db2.gz WUKXVPVLJLJRJK-NWDGAFQWSA-N 1 1 197.322 2.022 10 0 AEAEMO CC1(C)CCC[N@H+]([C@@H]2CC[C@@H](O)C2)C1 225751718 344485845 /nfs/dbraw/zinc/48/58/45/344485845.db2.gz OWERPJNZOYBJMO-GHMZBOCLSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@H]1CC[C@@H](O)C1 225751659 344485851 /nfs/dbraw/zinc/48/58/51/344485851.db2.gz AQICOGDXEWVDLT-VHSXEESVSA-N 1 1 185.311 2.020 10 0 AEAEMO C[N@@H+](CC1CCCC1)[C@@H]1CC[C@@H](O)C1 225750471 344485883 /nfs/dbraw/zinc/48/58/83/344485883.db2.gz WUKXVPVLJLJRJK-VXGBXAGGSA-N 1 1 197.322 2.022 10 0 AEAEMO CC1(C)CCC[N@H+]([C@H]2CC[C@@H](O)C2)C1 225751747 344485920 /nfs/dbraw/zinc/48/59/20/344485920.db2.gz OWERPJNZOYBJMO-WDEREUQCSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@@H]1CC[C@@H](O)C1 225751638 344485979 /nfs/dbraw/zinc/48/59/79/344485979.db2.gz AQICOGDXEWVDLT-NXEZZACHSA-N 1 1 185.311 2.020 10 0 AEAEMO CC(C)[C@@H](N)C[N@H+]1CC[C@@H](C)C[C@@H]1C 225758124 344486246 /nfs/dbraw/zinc/48/62/46/344486246.db2.gz AGJOKMIABWPYPR-WOPDTQHZSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@@H]([NH3+])CN1CC[C@@H](C)C[C@@H]1C 225758124 344486250 /nfs/dbraw/zinc/48/62/50/344486250.db2.gz AGJOKMIABWPYPR-WOPDTQHZSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@]1(C)C[N@@H+](C2CCC2)[C@@H](C)CN1 225762039 344486313 /nfs/dbraw/zinc/48/63/13/344486313.db2.gz SBFQLAXKLUQJEI-CMPLNLGQSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@]1(C)CN(C2CCC2)[C@@H](C)C[NH2+]1 225762039 344486316 /nfs/dbraw/zinc/48/63/16/344486316.db2.gz SBFQLAXKLUQJEI-CMPLNLGQSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@]1(C)C[N@@H+](C2CCC2)[C@@H](C)CN1 225762023 344486335 /nfs/dbraw/zinc/48/63/35/344486335.db2.gz SBFQLAXKLUQJEI-JQWIXIFHSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@]1(C)CN(C2CCC2)[C@@H](C)C[NH2+]1 225762023 344486338 /nfs/dbraw/zinc/48/63/38/344486338.db2.gz SBFQLAXKLUQJEI-JQWIXIFHSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@H]1CC[N@@H+](CC(C)(C)CO)[C@@H](C)C1 225777905 344486896 /nfs/dbraw/zinc/48/68/96/344486896.db2.gz XVHAIBJZTAVHMH-QWRGUYRKSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H]1CC[N@H+](CC(C)(C)CN)[C@@H](C)C1 225776152 344486954 /nfs/dbraw/zinc/48/69/54/344486954.db2.gz MXKCWCGOIMOZLA-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CC[N@@H+](CC(C)(C)CN)[C@@H](C)C1 225776152 344486955 /nfs/dbraw/zinc/48/69/55/344486955.db2.gz MXKCWCGOIMOZLA-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1C[C@H](C)CC[N@@H+]1CC(C)(C)CN 225776129 344486987 /nfs/dbraw/zinc/48/69/87/344486987.db2.gz MXKCWCGOIMOZLA-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1C[C@H](C)CC[N@H+]1CC(C)(C)CO 225777888 344487135 /nfs/dbraw/zinc/48/71/35/344487135.db2.gz XVHAIBJZTAVHMH-MNOVXSKESA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](C)[N@H+]1CCCN[C@@H](C(C)C)C1 225835528 344488030 /nfs/dbraw/zinc/48/80/30/344488030.db2.gz DNXSJRUKVZOMGY-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCCN[C@@H](C(C)C)C1 225835508 344488397 /nfs/dbraw/zinc/48/83/97/344488397.db2.gz DNXSJRUKVZOMGY-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C(C)C)[N@H+]1CCCN[C@@H](C)C1 225860780 344488777 /nfs/dbraw/zinc/48/87/77/344488777.db2.gz JFJPNGSLRPAAIK-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO Cc1ccc(C)n1C[C@@H]1CCC[N@@H+]1C 225866526 344488924 /nfs/dbraw/zinc/48/89/24/344488924.db2.gz UZYVKUAMCFYVCY-LBPRGKRZSA-N 1 1 192.306 2.199 10 0 AEAEMO Cc1ccc(C)n1C[C@H]1CCC[N@@H+]1C 225866541 344488945 /nfs/dbraw/zinc/48/89/45/344488945.db2.gz UZYVKUAMCFYVCY-GFCCVEGCSA-N 1 1 192.306 2.199 10 0 AEAEMO CC(C)C[C@@H](C)[N@H+]1CCCN[C@@H](C)C1 225844290 344489112 /nfs/dbraw/zinc/48/91/12/344489112.db2.gz RMOASKODOWFXOT-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C(C)C)[N@H+]1CCCN[C@@H](C)C1 225860794 344489131 /nfs/dbraw/zinc/48/91/31/344489131.db2.gz JFJPNGSLRPAAIK-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@H]1CC(=O)CC[N@@H+]1[C@H](C)CC1CC1 226134429 344492331 /nfs/dbraw/zinc/49/23/31/344492331.db2.gz XXZMAYNHRLHLJW-ZJUUUORDSA-N 1 1 195.306 2.228 10 0 AEAEMO C[C@H]1C[N@@H+]([C@H](C)CC2CC2)CCC1=O 226134252 344492342 /nfs/dbraw/zinc/49/23/42/344492342.db2.gz RUJKYYAQALNGQS-VHSXEESVSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@@H](O)C[N@H+]1CCC[C@H]2CCCC[C@H]21 226128012 344492615 /nfs/dbraw/zinc/49/26/15/344492615.db2.gz BOBRHCBSFMXXSJ-IJLUTSLNSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@H](C)[C@@H]1C 226233207 344495717 /nfs/dbraw/zinc/49/57/17/344495717.db2.gz WDMDIMKZKVWYII-CIUDSAMLSA-N 1 1 141.258 2.125 10 0 AEAEMO CC[C@H]1CCC[N@H+]1[C@@H]1CCCC[C@H]1O 226241584 344495843 /nfs/dbraw/zinc/49/58/43/344495843.db2.gz QCRLKUNHKXWQLY-QJPTWQEYSA-N 1 1 197.322 2.164 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)[C@@H]1CCCC[C@H]1O 226240644 344495913 /nfs/dbraw/zinc/49/59/13/344495913.db2.gz TYNQRSDSTDEQIU-IJLUTSLNSA-N 1 1 199.338 2.266 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@@H]1CCCC[C@H]1O 226241574 344495949 /nfs/dbraw/zinc/49/59/49/344495949.db2.gz QCRLKUNHKXWQLY-IJLUTSLNSA-N 1 1 197.322 2.164 10 0 AEAEMO C[C@@H]1CCC[N@H+]([C@H]2CCCC[C@@H]2O)C1 226239578 344495977 /nfs/dbraw/zinc/49/59/77/344495977.db2.gz RRBVJSAFPPPLJA-WOPDTQHZSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)[C@@H]1CCCC[C@H]1O 226240230 344495996 /nfs/dbraw/zinc/49/59/96/344495996.db2.gz DKTDGEGILKXWDD-GMTAPVOTSA-N 1 1 185.311 2.020 10 0 AEAEMO CC1(C)CCC[N@H+]1[C@@H]1CCCC[C@H]1O 226247203 344496035 /nfs/dbraw/zinc/49/60/35/344496035.db2.gz OHSMWPHGBUIFGD-GHMZBOCLSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@H]1CCCC[C@H]1O 226240241 344496044 /nfs/dbraw/zinc/49/60/44/344496044.db2.gz DKTDGEGILKXWDD-HBNTYKKESA-N 1 1 185.311 2.020 10 0 AEAEMO C[C@H]1CCC[N@H+]([C@H]2CCCC[C@@H]2O)C1 226239586 344496086 /nfs/dbraw/zinc/49/60/86/344496086.db2.gz RRBVJSAFPPPLJA-SRVKXCTJSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@@H]1CCCC[C@H]1O 226248247 344496094 /nfs/dbraw/zinc/49/60/94/344496094.db2.gz UHIBNBLVGJTRSZ-GHMZBOCLSA-N 1 1 199.338 2.410 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1[C@@H]1CCCC[C@H]1O 226239499 344496129 /nfs/dbraw/zinc/49/61/29/344496129.db2.gz RFDQFDHESCZKEG-IJLUTSLNSA-N 1 1 197.322 2.164 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)[C@@H]1CCCC[C@H]1O 226240654 344496154 /nfs/dbraw/zinc/49/61/54/344496154.db2.gz TYNQRSDSTDEQIU-QJPTWQEYSA-N 1 1 199.338 2.266 10 0 AEAEMO C[C@H]([N@@H+](C)[C@@H]1CCC[C@H]1O)C(C)(C)C 226283055 344497305 /nfs/dbraw/zinc/49/73/05/344497305.db2.gz PGYHFZLKJUSZGC-HBNTYKKESA-N 1 1 199.338 2.266 10 0 AEAEMO CC[C@@H]1CCC[N@H+]([C@H]2CCC[C@@H]2O)C1 226278526 344497331 /nfs/dbraw/zinc/49/73/31/344497331.db2.gz DFNVFMPARLJXIS-WOPDTQHZSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H]1CCC[N@H+]([C@@H]2CCC[C@H]2O)C1 226278548 344497395 /nfs/dbraw/zinc/49/73/95/344497395.db2.gz DFNVFMPARLJXIS-IJLUTSLNSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]([N@@H+](C)[C@H]1CCC[C@@H]1O)C(C)(C)C 226283033 344497445 /nfs/dbraw/zinc/49/74/45/344497445.db2.gz PGYHFZLKJUSZGC-VWYCJHECSA-N 1 1 199.338 2.266 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1[C@@H]1CCC[C@H]1O 226277476 344497450 /nfs/dbraw/zinc/49/74/50/344497450.db2.gz FGPNJVRJAHOETH-QJPTWQEYSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1[C@@H]1CCC[C@H]1O 226277467 344497472 /nfs/dbraw/zinc/49/74/72/344497472.db2.gz FGPNJVRJAHOETH-IJLUTSLNSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[C@H]1CCC[N@H+]([C@H]2CCC[C@@H]2O)C1 226278534 344497540 /nfs/dbraw/zinc/49/75/40/344497540.db2.gz DFNVFMPARLJXIS-SRVKXCTJSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[C@@H]1CC[N@H+]([C@H]2CCC[C@@H]2O)C1 226290970 344497902 /nfs/dbraw/zinc/49/79/02/344497902.db2.gz RATORCDQLKXHHY-WOPDTQHZSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCC[C@@H]1O 226290044 344497921 /nfs/dbraw/zinc/49/79/21/344497921.db2.gz QKMWHRZYYVCCEU-USZNOCQGSA-N 1 1 197.322 2.163 10 0 AEAEMO CC1(C)CCC[N@H+]([C@@H]2CCC[C@H]2O)C1 226287072 344497953 /nfs/dbraw/zinc/49/79/53/344497953.db2.gz CEIBPZXYTQCQEG-GHMZBOCLSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H](C(C)C)[N@H+]1CC[C@@H](C)[C@@H](N)C1 226298443 344498026 /nfs/dbraw/zinc/49/80/26/344498026.db2.gz BCZNEXBXXWYUDO-GRYCIOLGSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[C@H]1O 226290064 344498049 /nfs/dbraw/zinc/49/80/49/344498049.db2.gz QKMWHRZYYVCCEU-IRCOFANPSA-N 1 1 197.322 2.163 10 0 AEAEMO C[C@H]1CC[N@@H+]1[C@H](C)c1ccc(N)cc1 226292767 344498053 /nfs/dbraw/zinc/49/80/53/344498053.db2.gz ONSWCYCZHPJTEI-VHSXEESVSA-N 1 1 190.290 2.424 10 0 AEAEMO CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@H]1O 226287966 344498069 /nfs/dbraw/zinc/49/80/69/344498069.db2.gz RMWPYXXPURFIHH-QJPTWQEYSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@H]1CC[N@@H+]1[C@H](C)c1ccccc1N 226292978 344498097 /nfs/dbraw/zinc/49/80/97/344498097.db2.gz VHCJVSIYQMGOLC-VHSXEESVSA-N 1 1 190.290 2.424 10 0 AEAEMO CC(C)[C@H]1CCC[N@H+]1[C@@H]1CCC[C@H]1O 226287974 344498112 /nfs/dbraw/zinc/49/81/12/344498112.db2.gz RMWPYXXPURFIHH-IJLUTSLNSA-N 1 1 197.322 2.020 10 0 AEAEMO CC(C)[C@@H]1CCC[N@H+]1[C@H]1CCC[C@@H]1O 226287947 344498123 /nfs/dbraw/zinc/49/81/23/344498123.db2.gz RMWPYXXPURFIHH-SRVKXCTJSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@@H]1CCC[N@H+]([C@H]2CCC[C@@H]2O)CC1 226286593 344498160 /nfs/dbraw/zinc/49/81/60/344498160.db2.gz XZGPACHGKQBJFF-WOPDTQHZSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1CCC[N@H+]([C@H]2CCC[C@@H]2O)CC1 226286600 344498246 /nfs/dbraw/zinc/49/82/46/344498246.db2.gz XZGPACHGKQBJFF-SRVKXCTJSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CCC[C@@H](C)[C@@H]1CN 226337738 344499954 /nfs/dbraw/zinc/49/99/54/344499954.db2.gz DQTSDRAXTVQUMZ-WOPDTQHZSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)=CC[N@H+]1CCC[C@H](C)[C@@H]1CN 226344249 344500397 /nfs/dbraw/zinc/50/03/97/344500397.db2.gz JKXRYBGPGOBSKG-RYUDHWBXSA-N 1 1 196.338 2.012 10 0 AEAEMO CC(C)=CC[N@@H+]1CCC[C@H](C)[C@@H]1CN 226344249 344500398 /nfs/dbraw/zinc/50/03/98/344500398.db2.gz JKXRYBGPGOBSKG-RYUDHWBXSA-N 1 1 196.338 2.012 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+]1C[C@@H](C)CC[C@@H]1C 226400800 344501576 /nfs/dbraw/zinc/50/15/76/344501576.db2.gz TZHZRMOBRDRQGL-DCAQKATOSA-N 1 1 197.322 2.474 10 0 AEAEMO CC[C@H](N)[C@H](C)[N@H+]1C[C@@H](C)CC[C@@H]1C 226395957 344501617 /nfs/dbraw/zinc/50/16/17/344501617.db2.gz HANBQMSQCVZNQH-BJDJZHNGSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)[C@H](O)C[N@H+]1CC[C@@H](C)C[C@@H]1C 226401942 344501724 /nfs/dbraw/zinc/50/17/24/344501724.db2.gz WHEUNPBQQZCADN-GRYCIOLGSA-N 1 1 199.338 2.124 10 0 AEAEMO CC[C@](C)(CN)[N@H+]1C[C@@H](C)CC[C@@H]1C 226401573 344501735 /nfs/dbraw/zinc/50/17/35/344501735.db2.gz ZKZWKALPFHDNGD-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]1CC(=O)CC[N@H+]1[C@@H]1CC=CCC1 226430585 344502810 /nfs/dbraw/zinc/50/28/10/344502810.db2.gz LYFOYMZHGCAKMZ-WDEREUQCSA-N 1 1 193.290 2.149 10 0 AEAEMO C[C@@H]1CC(=O)CC[N@H+]1[C@@H]1CC=CCC1 226430582 344502839 /nfs/dbraw/zinc/50/28/39/344502839.db2.gz LYFOYMZHGCAKMZ-GHMZBOCLSA-N 1 1 193.290 2.149 10 0 AEAEMO [NH3+]C1(C(=O)c2ccccc2Cl)CC1 226433326 344503022 /nfs/dbraw/zinc/50/30/22/344503022.db2.gz XSKWCKUFFKZJID-UHFFFAOYSA-N 1 1 195.649 2.014 10 0 AEAEMO CC(C)=CC[N@H+](C)[C@H]1CCC[NH2+]CC1 226469002 344503753 /nfs/dbraw/zinc/50/37/53/344503753.db2.gz GKMIBEFAJCXULK-LBPRGKRZSA-N 1 1 196.338 2.027 10 0 AEAEMO CC(C)=CCN(C)[C@H]1CCC[NH2+]CC1 226469002 344503755 /nfs/dbraw/zinc/50/37/55/344503755.db2.gz GKMIBEFAJCXULK-LBPRGKRZSA-N 1 1 196.338 2.027 10 0 AEAEMO CC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CCCC[C@@H]21 226600232 344507791 /nfs/dbraw/zinc/50/77/91/344507791.db2.gz MWYXDOLZEIUGEJ-USWWRNFRSA-N 1 1 195.306 2.228 10 0 AEAEMO CC(=O)[C@H](C)[N@H+]1CC[C@@H]2CCCC[C@@H]21 226600238 344507823 /nfs/dbraw/zinc/50/78/23/344507823.db2.gz MWYXDOLZEIUGEJ-DLOVCJGASA-N 1 1 195.306 2.228 10 0 AEAEMO CC[C@](C)(N)C[N@H+]1CCC[C@@H](C)[C@@H]1C 226693973 344510276 /nfs/dbraw/zinc/51/02/76/344510276.db2.gz XWLZJVVWWHKGBX-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@](C)([NH3+])CN1CCC[C@@H](C)[C@@H]1C 226693973 344510277 /nfs/dbraw/zinc/51/02/77/344510277.db2.gz XWLZJVVWWHKGBX-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@](C)(N)C[N@H+]1CC[C@@H](C)C[C@@H]1C 226694026 344510496 /nfs/dbraw/zinc/51/04/96/344510496.db2.gz NZFCWTKIPMTEDZ-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@](C)([NH3+])CN1CC[C@@H](C)C[C@@H]1C 226694026 344510498 /nfs/dbraw/zinc/51/04/98/344510498.db2.gz NZFCWTKIPMTEDZ-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(=O)[C@@H](C)[N@H+]1CCCCC[C@@H]1C 226735747 344511265 /nfs/dbraw/zinc/51/12/65/344511265.db2.gz MEQYQBJNUZVZDE-VHSXEESVSA-N 1 1 183.295 2.228 10 0 AEAEMO C[C@H](O)[C@@H](C)[N@H+]1CCCCC[C@@H]1C 226739230 344511399 /nfs/dbraw/zinc/51/13/99/344511399.db2.gz OMAUHAJPPQRWQS-AXFHLTTASA-N 1 1 185.311 2.020 10 0 AEAEMO CC(C)[C@@H](CN)[N@H+]1CCCCC[C@@H]1C 226728956 344511454 /nfs/dbraw/zinc/51/14/54/344511454.db2.gz UZZYTTXKBFWVMD-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H](O)[C@H](C)[N@H+]1CCCCC[C@@H]1C 226739240 344511497 /nfs/dbraw/zinc/51/14/97/344511497.db2.gz OMAUHAJPPQRWQS-DCAQKATOSA-N 1 1 185.311 2.020 10 0 AEAEMO CN[C@H](C)[C@@H](C)[N@@H+]1CCCCC[C@@H]1C 226730706 344511502 /nfs/dbraw/zinc/51/15/02/344511502.db2.gz HRYAXMDFNZGIAG-QJPTWQEYSA-N 1 1 198.354 2.247 10 0 AEAEMO CN[C@H](C)[C@@H](C)[N@H+]1CCCCC[C@@H]1C 226730706 344511504 /nfs/dbraw/zinc/51/15/04/344511504.db2.gz HRYAXMDFNZGIAG-QJPTWQEYSA-N 1 1 198.354 2.247 10 0 AEAEMO CCCC[C@]1(O)CC[N@@H+](C)[C@@H](C)C1 226846061 344515563 /nfs/dbraw/zinc/51/55/63/344515563.db2.gz KAUGSOGRCALNKJ-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO CCCC[C@@]1(O)CC[N@@H+](C)[C@@H](C)C1 226846056 344515581 /nfs/dbraw/zinc/51/55/81/344515581.db2.gz KAUGSOGRCALNKJ-WDEREUQCSA-N 1 1 185.311 2.022 10 0 AEAEMO CC[N@@H+](C)C[C@@H]1C(=O)C[C@H](C)C[C@@H]1C 226871276 344516291 /nfs/dbraw/zinc/51/62/91/344516291.db2.gz YWVLUXUGZQKMSE-VWYCJHECSA-N 1 1 197.322 2.189 10 0 AEAEMO C[C@@H](O)C[N@H+]1CCC[C@@H]2CCCC[C@H]21 227018714 344519826 /nfs/dbraw/zinc/51/98/26/344519826.db2.gz BOBRHCBSFMXXSJ-GRYCIOLGSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)[C@@H](C)C[N@H+]1CCC(=O)[C@@H](C)C1 227073896 344521415 /nfs/dbraw/zinc/52/14/15/344521415.db2.gz XWXJWXXJRWUZBW-QWRGUYRKSA-N 1 1 197.322 2.189 10 0 AEAEMO CC(C)[C@@H](C)C[N@H+]1CCC(=O)C[C@@H]1C 227073920 344521479 /nfs/dbraw/zinc/52/14/79/344521479.db2.gz QFIVJIIUVXNJFN-QWRGUYRKSA-N 1 1 197.322 2.332 10 0 AEAEMO C[C@H](O)CC[N@H+]1CCC[C@@H]2CCC[C@@H]21 227173587 344524648 /nfs/dbraw/zinc/52/46/48/344524648.db2.gz JRQNNFIPISAFGE-SRVKXCTJSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]([NH3+])C(C)(C)C[N@H+]1CCC[C@@H](C)C1 227285768 344527269 /nfs/dbraw/zinc/52/72/69/344527269.db2.gz CLBJQJBPENWHOV-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CCCC[N@@H+]1CC(C)(C)[C@H](C)[NH3+] 227285643 344527522 /nfs/dbraw/zinc/52/75/22/344527522.db2.gz SORQVWUEUZFDKL-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]1CCCC[N@@H+]1CC(C)(C)[C@H](C)O 227292925 344527796 /nfs/dbraw/zinc/52/77/96/344527796.db2.gz XARVRQUYIOQRCI-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H](O)C(C)(C)C[N@H+]1CCC[C@@H](C)C1 227292955 344527953 /nfs/dbraw/zinc/52/79/53/344527953.db2.gz DBLVUWIRMKVHOQ-MNOVXSKESA-N 1 1 199.338 2.125 10 0 AEAEMO c1ccn([C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 227339794 344528925 /nfs/dbraw/zinc/52/89/25/344528925.db2.gz LMKIZOHXIUVXJP-NWDGAFQWSA-N 1 1 190.290 2.287 10 0 AEAEMO c1ccn([C@H]2CC[N@H+]3CCC[C@H]3C2)c1 227339803 344528947 /nfs/dbraw/zinc/52/89/47/344528947.db2.gz LMKIZOHXIUVXJP-RYUDHWBXSA-N 1 1 190.290 2.287 10 0 AEAEMO CC1(C)CC[N@H+]([C@H]2CCC[C@@H](O)C2)C1 227505293 344532798 /nfs/dbraw/zinc/53/27/98/344532798.db2.gz KTFMHCUAIOTQIQ-WDEREUQCSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@H+]1C[C@@H](C)C[C@@H](N)C1 227678564 344543629 /nfs/dbraw/zinc/54/36/29/344543629.db2.gz DJEHQWMHILJSGQ-FIQHERPVSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H]([NH2+][C@@H]1CC1(C)C)C(F)F 228511439 344563061 /nfs/dbraw/zinc/56/30/61/344563061.db2.gz WQCGWIUGJOVNND-NTSWFWBYSA-N 1 1 163.211 2.028 10 0 AEAEMO Cc1cncc([C@@H]([NH3+])c2ccco2)c1 227955098 344552880 /nfs/dbraw/zinc/55/28/80/344552880.db2.gz ONRJMCZNPOCAMJ-LLVKDONJSA-N 1 1 188.230 2.031 10 0 AEAEMO Cc1cncc([C@H]([NH3+])c2ccco2)c1 227955105 344553083 /nfs/dbraw/zinc/55/30/83/344553083.db2.gz ONRJMCZNPOCAMJ-NSHDSACASA-N 1 1 188.230 2.031 10 0 AEAEMO CCc1c[nH+]c2ccc(C)cn12 228010875 344555052 /nfs/dbraw/zinc/55/50/52/344555052.db2.gz ZSNVXMHQTZISLD-UHFFFAOYSA-N 1 1 160.220 2.205 10 0 AEAEMO CCc1c[nH+]c2ccc(F)cn12 228020471 344555167 /nfs/dbraw/zinc/55/51/67/344555167.db2.gz ODAUNZUOJBIRJV-UHFFFAOYSA-N 1 1 164.183 2.036 10 0 AEAEMO CCc1c[nH+]c2c(C)cccn12 228018180 344555331 /nfs/dbraw/zinc/55/53/31/344555331.db2.gz QSMGUBURAZBOTA-UHFFFAOYSA-N 1 1 160.220 2.205 10 0 AEAEMO CCc1c[nH+]c2cccc(C)n12 228013506 344555557 /nfs/dbraw/zinc/55/55/57/344555557.db2.gz XCGLKGNBMRHRQK-UHFFFAOYSA-N 1 1 160.220 2.205 10 0 AEAEMO CCc1c(C)[nH+]c2ccc(F)cn12 228021103 344555588 /nfs/dbraw/zinc/55/55/88/344555588.db2.gz HYRGENLSBGJSDH-UHFFFAOYSA-N 1 1 178.210 2.344 10 0 AEAEMO Fc1ccc2[nH+]c3c(n2c1)CCCC3 228020909 344555669 /nfs/dbraw/zinc/55/56/69/344555669.db2.gz POVVDTVDTJCEBQ-UHFFFAOYSA-N 1 1 190.221 2.352 10 0 AEAEMO CCC(=O)C[N@H+]1CCC[C@@H]2CCC[C@H]21 228032216 344555834 /nfs/dbraw/zinc/55/58/34/344555834.db2.gz SGOYHMNNTWSSHJ-CMPLNLGQSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC(=O)C[N@H+]1CCC[C@H]2CCC[C@H]21 228032236 344555881 /nfs/dbraw/zinc/55/58/81/344555881.db2.gz SGOYHMNNTWSSHJ-ZYHUDNBSSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)CC[C@]1(O)CC[N@H+]2CCC[C@H]21 228022726 344555911 /nfs/dbraw/zinc/55/59/11/344555911.db2.gz XUEWLMKYMOHCIH-RYUDHWBXSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)CC[C@@]1(O)CC[N@H+]2CCC[C@H]21 228022715 344555928 /nfs/dbraw/zinc/55/59/28/344555928.db2.gz XUEWLMKYMOHCIH-NWDGAFQWSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC(CC)[C@]1(O)CC[N@H+]2CCC[C@H]21 228026388 344556017 /nfs/dbraw/zinc/55/60/17/344556017.db2.gz VDZBLDWMMYXZJO-NWDGAFQWSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(=O)CC[N@H+]1CCC[C@@H]2CCC[C@H]21 228032606 344556118 /nfs/dbraw/zinc/55/61/18/344556118.db2.gz UDJWJTCBAQMHGZ-NWDGAFQWSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC(CC)[C@@]1(O)CC[N@H+]2CCC[C@H]21 228026378 344556152 /nfs/dbraw/zinc/55/61/52/344556152.db2.gz VDZBLDWMMYXZJO-RYUDHWBXSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(=O)CC[N@H+]1CCC[C@H]2CCC[C@H]21 228032619 344556176 /nfs/dbraw/zinc/55/61/76/344556176.db2.gz UDJWJTCBAQMHGZ-VXGBXAGGSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)(O)C[N@H+]1CCC[C@H]2CCC[C@H]21 228038201 344556672 /nfs/dbraw/zinc/55/66/72/344556672.db2.gz DWAQNCPUXBAARS-GHMZBOCLSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)(O)C[N@H+]1CCC[C@@H]2CCC[C@H]21 228038192 344556699 /nfs/dbraw/zinc/55/66/99/344556699.db2.gz DWAQNCPUXBAARS-WDEREUQCSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H](O)CC[N@H+]1CCC[C@@H]2CCC[C@H]21 228044941 344556810 /nfs/dbraw/zinc/55/68/10/344556810.db2.gz JRQNNFIPISAFGE-SDDRHHMPSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)(C)[C@@]1(O)CC[N@H+]2CCCC[C@H]21 228269330 344561153 /nfs/dbraw/zinc/56/11/53/344561153.db2.gz ZJIYZTLOFRXEPJ-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H](C)[C@@]1(O)CC[N@H+]2CCCC[C@H]21 228270045 344561206 /nfs/dbraw/zinc/56/12/06/344561206.db2.gz BLLFCFWLOCBGQR-SRVKXCTJSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)(C)[C@]1(O)CC[N@H+]2CCCC[C@H]21 228269339 344561327 /nfs/dbraw/zinc/56/13/27/344561327.db2.gz ZJIYZTLOFRXEPJ-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCC[C@]1(O)CC[N@H+]2CCCC[C@H]21 228265943 344561476 /nfs/dbraw/zinc/56/14/76/344561476.db2.gz XWEFSGDCHFDFLG-RYUDHWBXSA-N 1 1 197.322 2.166 10 0 AEAEMO CCCC[C@@]1(O)CC[N@H+]2CCCC[C@H]21 228265932 344561536 /nfs/dbraw/zinc/56/15/36/344561536.db2.gz XWEFSGDCHFDFLG-NWDGAFQWSA-N 1 1 197.322 2.166 10 0 AEAEMO CC1CC([NH2+][C@H](C)C(F)F)C1 228521098 344562931 /nfs/dbraw/zinc/56/29/31/344562931.db2.gz NYRUAFOJVFYZAX-YURFNIAASA-N 1 1 163.211 2.028 10 0 AEAEMO C[C@@H]([NH2+][C@@H]1CC1(C)C)C(F)F 228511433 344563083 /nfs/dbraw/zinc/56/30/83/344563083.db2.gz WQCGWIUGJOVNND-PHDIDXHHSA-N 1 1 163.211 2.028 10 0 AEAEMO C[C@H]([NH2+][C@H]1CC1(C)C)C(F)F 228511454 344563157 /nfs/dbraw/zinc/56/31/57/344563157.db2.gz WQCGWIUGJOVNND-WDSKDSINSA-N 1 1 163.211 2.028 10 0 AEAEMO C[C@@H]1CCC[C@](O)(C[N@@H+]2CC[C@H]2C)C1 228520244 344563206 /nfs/dbraw/zinc/56/32/06/344563206.db2.gz ZOBYRMXVHUYLOI-IJLUTSLNSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]([NH2+][C@H]1CC1(C)C)C(F)F 228511447 344563212 /nfs/dbraw/zinc/56/32/12/344563212.db2.gz WQCGWIUGJOVNND-RITPCOANSA-N 1 1 163.211 2.028 10 0 AEAEMO CC1CC([NH2+][C@@H](C)C(F)F)C1 228521103 344563294 /nfs/dbraw/zinc/56/32/94/344563294.db2.gz NYRUAFOJVFYZAX-HUDPQJTASA-N 1 1 163.211 2.028 10 0 AEAEMO C[C@H]1CC(=O)CC[N@@H+]1C[C@H](C)C1CC1 228777314 344568465 /nfs/dbraw/zinc/56/84/65/344568465.db2.gz AHKLKXISNOAGPC-UWVGGRQHSA-N 1 1 195.306 2.086 10 0 AEAEMO CC1(Nc2ccc(N)[nH+]c2)CCC1 228830551 344569621 /nfs/dbraw/zinc/56/96/21/344569621.db2.gz YMWQYZWOPTXIGB-UHFFFAOYSA-N 1 1 177.251 2.018 10 0 AEAEMO CC1(Nc2[nH+]cccc2N)CCC1 228830594 344569701 /nfs/dbraw/zinc/56/97/01/344569701.db2.gz VFKIXYZNWNEZRU-UHFFFAOYSA-N 1 1 177.251 2.018 10 0 AEAEMO CC1(Nc2ccc[nH+]c2N)CCC1 228831657 344569949 /nfs/dbraw/zinc/56/99/49/344569949.db2.gz PPIAZNDGPWOXKT-UHFFFAOYSA-N 1 1 177.251 2.018 10 0 AEAEMO CC[C@@H](O)C[N@H+]1CC[C@@H]2CCCC[C@H]21 228831774 344570250 /nfs/dbraw/zinc/57/02/50/344570250.db2.gz MHDADFXRDDMKPI-QJPTWQEYSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[NH2+][C@@H]1CCN(C2(C)CC2)[C@@H](C)C1 228867069 344571525 /nfs/dbraw/zinc/57/15/25/344571525.db2.gz DQAHBZUJOBVNIN-WDEREUQCSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[NH2+][C@H]1CCN(C2(C)CC2)[C@@H](C)C1 228867081 344571615 /nfs/dbraw/zinc/57/16/15/344571615.db2.gz DQAHBZUJOBVNIN-QWRGUYRKSA-N 1 1 196.338 2.001 10 0 AEAEMO Cc1ccc[nH+]c1NC1(C)CC1 228883845 344572905 /nfs/dbraw/zinc/57/29/05/344572905.db2.gz YINKWKMPZACTTG-UHFFFAOYSA-N 1 1 162.236 2.354 10 0 AEAEMO Cc1cccc(NC2(C)CC2)[nH+]1 228886023 344573319 /nfs/dbraw/zinc/57/33/19/344573319.db2.gz FEJGFKSTKCDNQK-UHFFFAOYSA-N 1 1 162.236 2.354 10 0 AEAEMO Cc1cc[nH+]c(NC2(C)CC2)c1 228884720 344573503 /nfs/dbraw/zinc/57/35/03/344573503.db2.gz GMIPJNPCOKTLTI-UHFFFAOYSA-N 1 1 162.236 2.354 10 0 AEAEMO Cc1ccc(NC2(C)CC2)[nH+]c1 228883960 344573537 /nfs/dbraw/zinc/57/35/37/344573537.db2.gz XSEYMBPKUPYXKI-UHFFFAOYSA-N 1 1 162.236 2.354 10 0 AEAEMO CC(C)=CCNc1ccc(N)c[nH+]1 228905706 344574393 /nfs/dbraw/zinc/57/43/93/344574393.db2.gz SHYYDQKISNINDZ-UHFFFAOYSA-N 1 1 177.251 2.042 10 0 AEAEMO CC(C)=CCNc1[nH+]cccc1N 228900392 344574472 /nfs/dbraw/zinc/57/44/72/344574472.db2.gz ZJUFGLRNBCBXAM-UHFFFAOYSA-N 1 1 177.251 2.042 10 0 AEAEMO CC(C)=CCNc1ccc[nH+]c1N 228923194 344575578 /nfs/dbraw/zinc/57/55/78/344575578.db2.gz INLBXHDTFJJJJO-UHFFFAOYSA-N 1 1 177.251 2.042 10 0 AEAEMO CC[C@H]1C[N@H+](C2(C)CC2)[C@@H](CC)CN1 228930154 344576008 /nfs/dbraw/zinc/57/60/08/344576008.db2.gz BNVJDWBYOBRRPI-QWRGUYRKSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H]1CN(C2(C)CC2)[C@@H](CC)C[NH2+]1 228930154 344576012 /nfs/dbraw/zinc/57/60/12/344576012.db2.gz BNVJDWBYOBRRPI-QWRGUYRKSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H]1CN[C@H](CC)C[N@@H+]1C1(C)CC1 228930143 344576356 /nfs/dbraw/zinc/57/63/56/344576356.db2.gz BNVJDWBYOBRRPI-MNOVXSKESA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H]1C[NH2+][C@H](CC)CN1C1(C)CC1 228930143 344576358 /nfs/dbraw/zinc/57/63/58/344576358.db2.gz BNVJDWBYOBRRPI-MNOVXSKESA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@]1(C)C[N@H+](C2(C)CCC2)CCN1 228934147 344576592 /nfs/dbraw/zinc/57/65/92/344576592.db2.gz CLXJWDFOSYPVRB-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@@]1(C)CN(C2(C)CCC2)CC[NH2+]1 228934147 344576595 /nfs/dbraw/zinc/57/65/95/344576595.db2.gz CLXJWDFOSYPVRB-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H]1CN[C@@H](C)C[N@H+]1C1(C)CCC1 228934650 344576623 /nfs/dbraw/zinc/57/66/23/344576623.db2.gz MOMDKVOHWPOIMK-QWRGUYRKSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H]1CN[C@H](C)C[N@H+]1C1(C)CCC1 228934675 344576680 /nfs/dbraw/zinc/57/66/80/344576680.db2.gz MOMDKVOHWPOIMK-MNOVXSKESA-N 1 1 196.338 2.001 10 0 AEAEMO CC1(C)C[N@@H+](C2(C)CCC2)CCCN1 228934695 344576720 /nfs/dbraw/zinc/57/67/20/344576720.db2.gz GPXNYCOYMHLCKB-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@]1(C)CN(C2(C)CCC2)CC[NH2+]1 228934159 344577010 /nfs/dbraw/zinc/57/70/10/344577010.db2.gz CLXJWDFOSYPVRB-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@@H]1CN[C@@H](C)C[N@H+]1C1(C)CCC1 228934638 344576945 /nfs/dbraw/zinc/57/69/45/344576945.db2.gz MOMDKVOHWPOIMK-WDEREUQCSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@H]1CN[C@H](C)C[N@H+]1C1(C)CCC1 228934662 344576985 /nfs/dbraw/zinc/57/69/85/344576985.db2.gz MOMDKVOHWPOIMK-GHMZBOCLSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@]1(C)C[N@H+](C2(C)CCC2)CCN1 228934159 344577008 /nfs/dbraw/zinc/57/70/08/344577008.db2.gz CLXJWDFOSYPVRB-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@H]1C[N@@H+]([C@H](C)C(C)(C)C)CCC1=O 228961497 344577364 /nfs/dbraw/zinc/57/73/64/344577364.db2.gz BXVAYTCCMAQDAX-VHSXEESVSA-N 1 1 197.322 2.332 10 0 AEAEMO C[C@H]1CC(=O)CC[N@@H+]1[C@H](C)C(C)(C)C 228962432 344577833 /nfs/dbraw/zinc/57/78/33/344577833.db2.gz SCRTWAIXOOCKQY-VHSXEESVSA-N 1 1 197.322 2.474 10 0 AEAEMO C[C@H]1C[N@@H+]([C@H](C)C(C)(C)C)CCCN1 228977767 344578428 /nfs/dbraw/zinc/57/84/28/344578428.db2.gz YUTAUFOEGJCCJG-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO Nc1ccc(NCCC2CCC2)[nH+]c1 229073445 344581601 /nfs/dbraw/zinc/58/16/01/344581601.db2.gz WJRSZSYAORTKLH-UHFFFAOYSA-N 1 1 191.278 2.266 10 0 AEAEMO CC(C)=CC[N@H+]1CCC(=O)C[C@@H]1C 229203400 344585778 /nfs/dbraw/zinc/58/57/78/344585778.db2.gz UQNIDCUXCGXJLM-JTQLQIEISA-N 1 1 181.279 2.006 10 0 AEAEMO CC(C)=CC[N@@H+]1CCC(=O)C[C@@H]1C 229203400 344585780 /nfs/dbraw/zinc/58/57/80/344585780.db2.gz UQNIDCUXCGXJLM-JTQLQIEISA-N 1 1 181.279 2.006 10 0 AEAEMO CC(C)=CC[N@H+]1CCC(=O)C[C@H]1C 229203413 344585884 /nfs/dbraw/zinc/58/58/84/344585884.db2.gz UQNIDCUXCGXJLM-SNVBAGLBSA-N 1 1 181.279 2.006 10 0 AEAEMO CC(C)=CC[N@@H+]1CCC(=O)C[C@H]1C 229203413 344585886 /nfs/dbraw/zinc/58/58/86/344585886.db2.gz UQNIDCUXCGXJLM-SNVBAGLBSA-N 1 1 181.279 2.006 10 0 AEAEMO CC[C@](C)(O)C[N@H+]1C[C@@H](C)C[C@@H](C)C1 229382242 344593188 /nfs/dbraw/zinc/59/31/88/344593188.db2.gz QXKDHNILMBGPGA-TUAOUCFPSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@](C)(O)C[N@H+]1CCCCC[C@@H]1C 229393091 344593574 /nfs/dbraw/zinc/59/35/74/344593574.db2.gz UUANWAOPSAJWPG-NWDGAFQWSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC1(Nc2ccc(N)c[nH+]2)CCC1 229468037 344596767 /nfs/dbraw/zinc/59/67/67/344596767.db2.gz VQCCTLPBIRUAHL-UHFFFAOYSA-N 1 1 191.278 2.408 10 0 AEAEMO Cc1ccoc1[C@H]1[NH2+]C[C@@H](C)S1 229538987 344600954 /nfs/dbraw/zinc/60/09/54/344600954.db2.gz GPQJAGLOSBVAQC-APPZFPTMSA-N 1 1 183.276 2.312 10 0 AEAEMO Cc1ccoc1[C@@H]1[NH2+][C@@H](C)CS1 229539036 344601461 /nfs/dbraw/zinc/60/14/61/344601461.db2.gz FWTCYCWBQDFSCW-IONNQARKSA-N 1 1 183.276 2.312 10 0 AEAEMO CCC1([N@H+]2CCN[C@H](C)CC2)CCC1 229541721 344601474 /nfs/dbraw/zinc/60/14/74/344601474.db2.gz LREKEEZICJEZKV-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CCC1([N@H+]2CCN[C@@H](C)CC2)CCC1 229541710 344601485 /nfs/dbraw/zinc/60/14/85/344601485.db2.gz LREKEEZICJEZKV-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO Cc1ccoc1[C@H]1[NH2+][C@H](C)CS1 229539045 344601540 /nfs/dbraw/zinc/60/15/40/344601540.db2.gz FWTCYCWBQDFSCW-APPZFPTMSA-N 1 1 183.276 2.312 10 0 AEAEMO Cc1ccoc1[C@@H]1[NH2+]C[C@H](C)S1 229539013 344601584 /nfs/dbraw/zinc/60/15/84/344601584.db2.gz GPQJAGLOSBVAQC-IONNQARKSA-N 1 1 183.276 2.312 10 0 AEAEMO Cc1ccoc1[C@@H]1[NH2+]C[C@@H](C)S1 229539005 344601659 /nfs/dbraw/zinc/60/16/59/344601659.db2.gz GPQJAGLOSBVAQC-VXNVDRBHSA-N 1 1 183.276 2.312 10 0 AEAEMO Cc1ccoc1[C@H]1[NH2+]C[C@H](C)S1 229538996 344601676 /nfs/dbraw/zinc/60/16/76/344601676.db2.gz GPQJAGLOSBVAQC-CBAPKCEASA-N 1 1 183.276 2.312 10 0 AEAEMO Cc1ccoc1[C@@H]1[NH2+][C@H](C)CS1 229539026 344601699 /nfs/dbraw/zinc/60/16/99/344601699.db2.gz FWTCYCWBQDFSCW-VXNVDRBHSA-N 1 1 183.276 2.312 10 0 AEAEMO Cc1ccoc1[C@H]1[NH2+][C@@H](C)CS1 229539052 344601863 /nfs/dbraw/zinc/60/18/63/344601863.db2.gz FWTCYCWBQDFSCW-CBAPKCEASA-N 1 1 183.276 2.312 10 0 AEAEMO CC(C)[N@@H+](C)Cc1cccc(N)c1F 229752620 344613962 /nfs/dbraw/zinc/61/39/62/344613962.db2.gz JQINCYDFANJSJB-UHFFFAOYSA-N 1 1 196.269 2.248 10 0 AEAEMO C[N@@H+](Cc1cccc(N)c1F)C1CC1 229753215 344614066 /nfs/dbraw/zinc/61/40/66/344614066.db2.gz OHRZSHASLLUVOO-UHFFFAOYSA-N 1 1 194.253 2.002 10 0 AEAEMO CC[C@H]1C[N@H+](C2CCCC2)CCC1=O 229754776 344614451 /nfs/dbraw/zinc/61/44/51/344614451.db2.gz NCIWKBHFGWIFPF-JTQLQIEISA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@@H]1C[N@H+](C2CCCC2)CCC1=O 229754766 344614615 /nfs/dbraw/zinc/61/46/15/344614615.db2.gz NCIWKBHFGWIFPF-SNVBAGLBSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@H]1C[N@@H+](CC2CCC2)CCC1=O 229759785 344615016 /nfs/dbraw/zinc/61/50/16/344615016.db2.gz GXKNSQPWKMQUFA-NSHDSACASA-N 1 1 195.306 2.088 10 0 AEAEMO CC[C@@H]1C[N@@H+](CC2CCC2)CCC1=O 229759778 344615178 /nfs/dbraw/zinc/61/51/78/344615178.db2.gz GXKNSQPWKMQUFA-LLVKDONJSA-N 1 1 195.306 2.088 10 0 AEAEMO CC[C@@H]1C[N@H+](C2CCCC2)CC[C@@H]1O 229838274 344617580 /nfs/dbraw/zinc/61/75/80/344617580.db2.gz HWTQMHCYLULMKP-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H]1C[N@H+](C2CCCC2)CC[C@@H]1O 229838279 344617777 /nfs/dbraw/zinc/61/77/77/344617777.db2.gz HWTQMHCYLULMKP-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO Cc1ccc(F)cc1[C@@H]([NH3+])C(F)F 229942765 344620591 /nfs/dbraw/zinc/62/05/91/344620591.db2.gz MFOHPZRMMRXVPR-MRVPVSSYSA-N 1 1 189.180 2.399 10 0 AEAEMO Cc1ccc(F)cc1[C@H]([NH3+])C(F)F 229942771 344620597 /nfs/dbraw/zinc/62/05/97/344620597.db2.gz MFOHPZRMMRXVPR-QMMMGPOBSA-N 1 1 189.180 2.399 10 0 AEAEMO CC[C@H](C)[C@@]1(O)C[C@@H](C)[N@H+](C2CC2)C1 229948113 344621252 /nfs/dbraw/zinc/62/12/52/344621252.db2.gz HKYKNZXXOZJOMT-HOSYDEDBSA-N 1 1 197.322 2.020 10 0 AEAEMO CC[C@H](C)[C@]1(O)C[C@@H](C)[N@H+](C2CC2)C1 229948123 344621350 /nfs/dbraw/zinc/62/13/50/344621350.db2.gz HKYKNZXXOZJOMT-UMNHJUIQSA-N 1 1 197.322 2.020 10 0 AEAEMO CCCc1[nH+]ccn1[C@H]1CCCOC1 230076712 344625948 /nfs/dbraw/zinc/62/59/48/344625948.db2.gz KJGATQTXQAOUFJ-JTQLQIEISA-N 1 1 194.278 2.187 10 0 AEAEMO CCCc1[nH+]ccn1[C@@H]1CCCOC1 230076706 344625976 /nfs/dbraw/zinc/62/59/76/344625976.db2.gz KJGATQTXQAOUFJ-SNVBAGLBSA-N 1 1 194.278 2.187 10 0 AEAEMO CC(=O)[C@@H](C)[N@H+]1CC[C@@H](C(C)(C)C)C1 230273599 344630379 /nfs/dbraw/zinc/63/03/79/344630379.db2.gz DRRDLTBEWIMHIU-MWLCHTKSSA-N 1 1 197.322 2.332 10 0 AEAEMO CC(C)[C@@H]([NH3+])c1nc2c([nH]1)[C@@H](C)CC2 230370042 344631895 /nfs/dbraw/zinc/63/18/95/344631895.db2.gz VGCONNMYOMSEPU-IONNQARKSA-N 1 1 193.294 2.115 10 0 AEAEMO CC(C)[C@@H]([NH3+])c1nc2c([nH]1)[C@H](C)CC2 230370048 344632123 /nfs/dbraw/zinc/63/21/23/344632123.db2.gz VGCONNMYOMSEPU-VXNVDRBHSA-N 1 1 193.294 2.115 10 0 AEAEMO CCc1[nH]c([C@@H]([NH3+])C(C)(C)C)nc1C 230370907 344632592 /nfs/dbraw/zinc/63/25/92/344632592.db2.gz BMSHYCRJQRBNKI-SECBINFHSA-N 1 1 195.310 2.326 10 0 AEAEMO CCC(CC)[N@H+]1CCC[C@@](C)(O)CC1 230378155 344632844 /nfs/dbraw/zinc/63/28/44/344632844.db2.gz VSFDLGHXMXKGCX-GFCCVEGCSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC(CC)[N@H+]1CCC[C@](C)(O)CC1 230378158 344632865 /nfs/dbraw/zinc/63/28/65/344632865.db2.gz VSFDLGHXMXKGCX-LBPRGKRZSA-N 1 1 199.338 2.412 10 0 AEAEMO CC1=CCC[N@@H+](C[C@@H](N)C(C)(C)C)C1 230830780 344644314 /nfs/dbraw/zinc/64/43/14/344644314.db2.gz HSWDOAOFYZZREP-LLVKDONJSA-N 1 1 196.338 2.012 10 0 AEAEMO CC1=CCCN(C[C@@H]([NH3+])C(C)(C)C)C1 230830780 344644319 /nfs/dbraw/zinc/64/43/19/344644319.db2.gz HSWDOAOFYZZREP-LLVKDONJSA-N 1 1 196.338 2.012 10 0 AEAEMO CC1=CCC[N@@H+](C[C@H](N)C(C)(C)C)C1 230830816 344644484 /nfs/dbraw/zinc/64/44/84/344644484.db2.gz HSWDOAOFYZZREP-NSHDSACASA-N 1 1 196.338 2.012 10 0 AEAEMO CC1=CCCN(C[C@H]([NH3+])C(C)(C)C)C1 230830816 344644489 /nfs/dbraw/zinc/64/44/89/344644489.db2.gz HSWDOAOFYZZREP-NSHDSACASA-N 1 1 196.338 2.012 10 0 AEAEMO CCC(C)(CC)[N@H+]1CCCN[C@@H](C)C1 230963562 344646635 /nfs/dbraw/zinc/64/66/35/344646635.db2.gz BJHKXYXFCMRQSU-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC(C)(CC)[N@H+]1CCCN[C@H](C)C1 230963565 344646756 /nfs/dbraw/zinc/64/67/56/344646756.db2.gz BJHKXYXFCMRQSU-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO C[N@H+](C1CCCC1)C1CCC1 231167366 344649282 /nfs/dbraw/zinc/64/92/82/344649282.db2.gz MGVFQVHGFUPFEH-UHFFFAOYSA-N 1 1 153.269 2.413 10 0 AEAEMO CCc1[nH+]c2c(Cl)cccn2c1N 231773929 344660625 /nfs/dbraw/zinc/66/06/25/344660625.db2.gz KZQNQQUCKKGLNQ-UHFFFAOYSA-N 1 1 195.653 2.132 10 0 AEAEMO Cc1c(N)cccc1C[N@@H+]1CC[C@H]1C 231866658 344662973 /nfs/dbraw/zinc/66/29/73/344662973.db2.gz JUSQMNGQDQFFOA-SECBINFHSA-N 1 1 190.290 2.171 10 0 AEAEMO Cc1c(N)cccc1C[N@@H+]1CC[C@@H]1C 231866655 344663326 /nfs/dbraw/zinc/66/33/26/344663326.db2.gz JUSQMNGQDQFFOA-VIFPVBQESA-N 1 1 190.290 2.171 10 0 AEAEMO C/C=C/C[NH2+]Cc1csc(C)n1 232465268 344678265 /nfs/dbraw/zinc/67/82/65/344678265.db2.gz CAIZFZWLNPLTON-ONEGZZNKSA-N 1 1 182.292 2.117 10 0 AEAEMO CC(C)(C)[NH2+]c1ccc(N)c(N)c1 232493764 344680409 /nfs/dbraw/zinc/68/04/09/344680409.db2.gz SWYCSLPLIGYSBM-UHFFFAOYSA-N 1 1 179.267 2.061 10 0 AEAEMO CC(C)(Nc1ccc(N)c[nH+]1)C1CC1 232536409 344681465 /nfs/dbraw/zinc/68/14/65/344681465.db2.gz DKLUTXSITWAKIB-UHFFFAOYSA-N 1 1 191.278 2.264 10 0 AEAEMO CC(C)(Nc1[nH+]cccc1N)C1CC1 232539521 344681519 /nfs/dbraw/zinc/68/15/19/344681519.db2.gz ASQQBAKZEXWPIT-UHFFFAOYSA-N 1 1 191.278 2.264 10 0 AEAEMO CC(C)CC[NH2+]c1ccc(N)c(N)c1 232577523 344683924 /nfs/dbraw/zinc/68/39/24/344683924.db2.gz KGPXKUBCOFFQPL-UHFFFAOYSA-N 1 1 193.294 2.309 10 0 AEAEMO CC(C)C1CCN([C@@H](C)[C@H](C)[NH3+])CC1 232608399 344685550 /nfs/dbraw/zinc/68/55/50/344685550.db2.gz CJFHYNJYSCWKAB-QWRGUYRKSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C1CC[NH+]([C@@H](C)[C@H](C)N)CC1 232608399 344685553 /nfs/dbraw/zinc/68/55/53/344685553.db2.gz CJFHYNJYSCWKAB-QWRGUYRKSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C1CCN([C@H](C)[C@H](C)[NH3+])CC1 232611542 344685566 /nfs/dbraw/zinc/68/55/66/344685566.db2.gz CJFHYNJYSCWKAB-WDEREUQCSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C1CC[NH+]([C@H](C)[C@H](C)N)CC1 232611542 344685568 /nfs/dbraw/zinc/68/55/68/344685568.db2.gz CJFHYNJYSCWKAB-WDEREUQCSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C1CCN([C@H](C)[C@@H](C)[NH3+])CC1 232611368 344685588 /nfs/dbraw/zinc/68/55/88/344685588.db2.gz CJFHYNJYSCWKAB-GHMZBOCLSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C1CC[NH+]([C@H](C)[C@@H](C)N)CC1 232611368 344685591 /nfs/dbraw/zinc/68/55/91/344685591.db2.gz CJFHYNJYSCWKAB-GHMZBOCLSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C1CCN([C@@H](C)[C@@H](C)[NH3+])CC1 232608081 344685598 /nfs/dbraw/zinc/68/55/98/344685598.db2.gz CJFHYNJYSCWKAB-MNOVXSKESA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C1CC[NH+]([C@@H](C)[C@@H](C)N)CC1 232608081 344685599 /nfs/dbraw/zinc/68/55/99/344685599.db2.gz CJFHYNJYSCWKAB-MNOVXSKESA-N 1 1 198.354 2.090 10 0 AEAEMO Cc1cc[nH+]c(CC(C)C)c1N 232624712 344686318 /nfs/dbraw/zinc/68/63/18/344686318.db2.gz ZCMRKBXFINEVRG-UHFFFAOYSA-N 1 1 164.252 2.171 10 0 AEAEMO CC(C)NC(=[NH2+])c1ncccc1Cl 232640754 344686568 /nfs/dbraw/zinc/68/65/68/344686568.db2.gz RNWHYWAXEPQJQN-UHFFFAOYSA-N 1 1 197.669 2.058 10 0 AEAEMO CC1CC([NH2+]c2ccc(N)c(N)c2)C1 232852794 344694807 /nfs/dbraw/zinc/69/48/07/344694807.db2.gz PGQKUIWLAYLFGF-UHFFFAOYSA-N 1 1 191.278 2.061 10 0 AEAEMO CCC(C)(C)C[N@H+]1CCN[C@H](C)CC1 232861180 344695219 /nfs/dbraw/zinc/69/52/19/344695219.db2.gz WIMMTPUVBGOWKL-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC(C)(C)CN1CC[NH2+][C@H](C)CC1 232861180 344695222 /nfs/dbraw/zinc/69/52/22/344695222.db2.gz WIMMTPUVBGOWKL-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC(C)(C)C[N@H+]1CCN[C@@H](C)CC1 232860918 344695313 /nfs/dbraw/zinc/69/53/13/344695313.db2.gz WIMMTPUVBGOWKL-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCC(C)(C)CN1CC[NH2+][C@@H](C)CC1 232860918 344695316 /nfs/dbraw/zinc/69/53/16/344695316.db2.gz WIMMTPUVBGOWKL-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCC1(CNc2ccc(N)[nH+]c2)CC1 232961109 344697479 /nfs/dbraw/zinc/69/74/79/344697479.db2.gz VGWQCPXYPDYBIW-UHFFFAOYSA-N 1 1 191.278 2.266 10 0 AEAEMO CC1(C)C[C@H]1CNc1ccc[nH+]c1N 232936340 344697549 /nfs/dbraw/zinc/69/75/49/344697549.db2.gz SIPTYADOCUNDNA-QMMMGPOBSA-N 1 1 191.278 2.122 10 0 AEAEMO CC1(C)C[C@@H]1CNc1ccc[nH+]c1N 232975006 344697996 /nfs/dbraw/zinc/69/79/96/344697996.db2.gz SIPTYADOCUNDNA-MRVPVSSYSA-N 1 1 191.278 2.122 10 0 AEAEMO CCCC[NH2+]c1ccc(N)c(N)c1 232969537 344698205 /nfs/dbraw/zinc/69/82/05/344698205.db2.gz CDFWWBSXEIYUAP-UHFFFAOYSA-N 1 1 179.267 2.063 10 0 AEAEMO CCC1(CNc2[nH+]cccc2N)CC1 233012677 344698797 /nfs/dbraw/zinc/69/87/97/344698797.db2.gz FSKWDMMRWKVHKX-UHFFFAOYSA-N 1 1 191.278 2.266 10 0 AEAEMO C/C=C/C[NH2+]C1CCN(CCC)CC1 233034586 344699484 /nfs/dbraw/zinc/69/94/84/344699484.db2.gz HGGOOZWZYUMMJV-HWKANZROSA-N 1 1 196.338 2.027 10 0 AEAEMO CCC[C@@H](C)[NH2+]c1ccc(N)c(N)c1 233280368 344699683 /nfs/dbraw/zinc/69/96/83/344699683.db2.gz AYRUNRHLOMSUTB-MRVPVSSYSA-N 1 1 193.294 2.452 10 0 AEAEMO CCC[C@H](C)[C@]1(O)CC[N@@H+](C)[C@@H](C)C1 233340733 344700671 /nfs/dbraw/zinc/70/06/71/344700671.db2.gz ARVGLBVOBKWTTB-SRVKXCTJSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@@H]1C[C@H]1Nc1ccc[nH+]c1N 233311255 344700764 /nfs/dbraw/zinc/70/07/64/344700764.db2.gz AGRYEAYQDYPHIU-PSASIEDQSA-N 1 1 191.278 2.264 10 0 AEAEMO CCC[C@H](C)[NH2+]c1ccc(N)c(N)c1 233340165 344700823 /nfs/dbraw/zinc/70/08/23/344700823.db2.gz AYRUNRHLOMSUTB-QMMMGPOBSA-N 1 1 193.294 2.452 10 0 AEAEMO CCC[C@H](C)[C@@]1(O)CC[N@@H+](C)[C@@H](C)C1 233343535 344701208 /nfs/dbraw/zinc/70/12/08/344701208.db2.gz ARVGLBVOBKWTTB-SDDRHHMPSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H]1C[C@H]1Nc1ccc[nH+]c1N 233435568 344701547 /nfs/dbraw/zinc/70/15/47/344701547.db2.gz AGRYEAYQDYPHIU-WCBMZHEXSA-N 1 1 191.278 2.264 10 0 AEAEMO CC[N@H+](c1ccc(N)c(N)c1)C(C)C 233414888 344701688 /nfs/dbraw/zinc/70/16/88/344701688.db2.gz JEEOZVGGPLIAKU-UHFFFAOYSA-N 1 1 193.294 2.086 10 0 AEAEMO CCC[C@H]1C[C@@H]1Nc1ccc[nH+]c1N 233442663 344702229 /nfs/dbraw/zinc/70/22/29/344702229.db2.gz AGRYEAYQDYPHIU-WPRPVWTQSA-N 1 1 191.278 2.264 10 0 AEAEMO CC[NH2+]C1(C(F)F)CC(C)C1 233499442 344702725 /nfs/dbraw/zinc/70/27/25/344702725.db2.gz CTIUFUIOGXRKKF-UHFFFAOYSA-N 1 1 163.211 2.030 10 0 AEAEMO CCNc1[nH+]ccc2ccc(O)cc12 233701091 344703318 /nfs/dbraw/zinc/70/33/18/344703318.db2.gz XNWVQHSTIZQDTP-UHFFFAOYSA-N 1 1 188.230 2.372 10 0 AEAEMO CCNc1[nH]c2ccc(F)cc2[nH+]1 233646311 344703612 /nfs/dbraw/zinc/70/36/12/344703612.db2.gz PLQVCGUDBBMBLC-UHFFFAOYSA-N 1 1 179.198 2.134 10 0 AEAEMO CC[C@@H](C)C[NH2+]c1ccc(N)c(N)c1 233836064 344704757 /nfs/dbraw/zinc/70/47/57/344704757.db2.gz MBUZLBXOQSAUKV-MRVPVSSYSA-N 1 1 193.294 2.309 10 0 AEAEMO CC[C@@H](C)[NH2+]c1ccc(N)c(N)c1 233862739 344705280 /nfs/dbraw/zinc/70/52/80/344705280.db2.gz DYQXGFCSLAUFKN-SSDOTTSWSA-N 1 1 179.267 2.061 10 0 AEAEMO C/C=C/C[N@H+]1CC(C)(C)NC[C@H]1CC 233920067 344707283 /nfs/dbraw/zinc/70/72/83/344707283.db2.gz RRGMGQNBGSMNNW-OKPNEXGHSA-N 1 1 196.338 2.025 10 0 AEAEMO C/C=C/C[N@@H+]1CC(C)(C)NC[C@H]1CC 233920067 344707286 /nfs/dbraw/zinc/70/72/86/344707286.db2.gz RRGMGQNBGSMNNW-OKPNEXGHSA-N 1 1 196.338 2.025 10 0 AEAEMO CC[C@H](C)C[NH2+]c1ccc(N)c(N)c1 233975124 344709159 /nfs/dbraw/zinc/70/91/59/344709159.db2.gz MBUZLBXOQSAUKV-QMMMGPOBSA-N 1 1 193.294 2.309 10 0 AEAEMO CC[C@@]1(C)C[N@H+](CC=C(C)C)CCN1 233986557 344709301 /nfs/dbraw/zinc/70/93/01/344709301.db2.gz XJGGWBVOXOMPPM-LBPRGKRZSA-N 1 1 196.338 2.027 10 0 AEAEMO CC[C@@]1(C)C[N@@H+](CC=C(C)C)CCN1 233986557 344709305 /nfs/dbraw/zinc/70/93/05/344709305.db2.gz XJGGWBVOXOMPPM-LBPRGKRZSA-N 1 1 196.338 2.027 10 0 AEAEMO CC[C@H](C)[NH2+]c1ccc(N)c(N)c1 233996513 344709816 /nfs/dbraw/zinc/70/98/16/344709816.db2.gz DYQXGFCSLAUFKN-ZETCQYMHSA-N 1 1 179.267 2.061 10 0 AEAEMO CC[C@]1(C)C[N@H+](CC=C(C)C)CCN1 234108698 344712490 /nfs/dbraw/zinc/71/24/90/344712490.db2.gz XJGGWBVOXOMPPM-GFCCVEGCSA-N 1 1 196.338 2.027 10 0 AEAEMO CC[C@]1(C)C[N@@H+](CC=C(C)C)CCN1 234108698 344712492 /nfs/dbraw/zinc/71/24/92/344712492.db2.gz XJGGWBVOXOMPPM-GFCCVEGCSA-N 1 1 196.338 2.027 10 0 AEAEMO CN(C)C(C)(C)[C@H]([NH3+])C1=CCCCC1 234215421 344714780 /nfs/dbraw/zinc/71/47/80/344714780.db2.gz HNMSDVDMXPGBOB-LLVKDONJSA-N 1 1 196.338 2.154 10 0 AEAEMO C/C=C/C[N@H+]1CC(C)(C)NC[C@@H]1CC 234211949 344715060 /nfs/dbraw/zinc/71/50/60/344715060.db2.gz RRGMGQNBGSMNNW-ZRQQLDRUSA-N 1 1 196.338 2.025 10 0 AEAEMO C/C=C/C[N@@H+]1CC(C)(C)NC[C@@H]1CC 234211949 344715063 /nfs/dbraw/zinc/71/50/63/344715063.db2.gz RRGMGQNBGSMNNW-ZRQQLDRUSA-N 1 1 196.338 2.025 10 0 AEAEMO CCc1occc1[C@@H]([NH3+])c1ccco1 234254342 344716102 /nfs/dbraw/zinc/71/61/02/344716102.db2.gz LNMJMMSRFFNBAH-LLVKDONJSA-N 1 1 191.230 2.483 10 0 AEAEMO CN(C)C(C)(C)[C@@H]([NH3+])C1=CCCCC1 234264861 344716518 /nfs/dbraw/zinc/71/65/18/344716518.db2.gz HNMSDVDMXPGBOB-NSHDSACASA-N 1 1 196.338 2.154 10 0 AEAEMO CCc1occc1[C@H]([NH3+])c1ccco1 234287497 344716758 /nfs/dbraw/zinc/71/67/58/344716758.db2.gz LNMJMMSRFFNBAH-NSHDSACASA-N 1 1 191.230 2.483 10 0 AEAEMO C[NH2+]C1(C(F)F)CC(C(C)C)C1 234349164 344718847 /nfs/dbraw/zinc/71/88/47/344718847.db2.gz JCMWWSJOOAGKTK-UHFFFAOYSA-N 1 1 177.238 2.276 10 0 AEAEMO C[C@@H]([NH3+])c1ncc([C@H]2CC2(C)C)o1 235185965 344734938 /nfs/dbraw/zinc/73/49/38/344734938.db2.gz UCSWZOAWRDVDFS-RNFRBKRXSA-N 1 1 180.251 2.208 10 0 AEAEMO C[C@@H]([NH3+])c1ncc([C@@H]2CC2(C)C)o1 235185893 344735029 /nfs/dbraw/zinc/73/50/29/344735029.db2.gz UCSWZOAWRDVDFS-RQJHMYQMSA-N 1 1 180.251 2.208 10 0 AEAEMO C[C@@H]1CC(=O)CC[N@H+]1C(C)(C)C1CC1 235259133 344738557 /nfs/dbraw/zinc/73/85/57/344738557.db2.gz QWFJIGFXMDJXFC-SECBINFHSA-N 1 1 195.306 2.228 10 0 AEAEMO C[C@@H]1C[N@H+](C(C)(C)C2CC2)CCC1=O 235329364 344744002 /nfs/dbraw/zinc/74/40/02/344744002.db2.gz CSKXSXRYZQOWNQ-SECBINFHSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@@H]1CCC[C@H](C[N@@H+]2CCC(=O)C2)C1 235339868 344744249 /nfs/dbraw/zinc/74/42/49/344744249.db2.gz HEKADHRCCWSPNF-MNOVXSKESA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@@H]1CCC[C@H](C[N@H+]2CCC(=O)C2)C1 235339868 344744251 /nfs/dbraw/zinc/74/42/51/344744251.db2.gz HEKADHRCCWSPNF-MNOVXSKESA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@@H]1CCC[C@@H](C[N@@H+]2CCC(=O)C2)C1 235357215 344745711 /nfs/dbraw/zinc/74/57/11/344745711.db2.gz HEKADHRCCWSPNF-GHMZBOCLSA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@@H]1CCC[C@@H](C[N@H+]2CCC(=O)C2)C1 235357215 344745713 /nfs/dbraw/zinc/74/57/13/344745713.db2.gz HEKADHRCCWSPNF-GHMZBOCLSA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@@H]1C[C@@](O)(CCC2CC2)CC[N@H+]1C 235411217 344749001 /nfs/dbraw/zinc/74/90/01/344749001.db2.gz SDSBVECMUMIUJX-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]([NH3+])c1ncc([C@@H]2CC2(C)C)o1 235509744 344752105 /nfs/dbraw/zinc/75/21/05/344752105.db2.gz UCSWZOAWRDVDFS-BQBZGAKWSA-N 1 1 180.251 2.208 10 0 AEAEMO C[C@H]([NH3+])c1ncc([C@H]2CC2(C)C)o1 235509812 344752179 /nfs/dbraw/zinc/75/21/79/344752179.db2.gz UCSWZOAWRDVDFS-NKWVEPMBSA-N 1 1 180.251 2.208 10 0 AEAEMO C[C@H]1CC(=O)CC[N@H+]1C(C)(C)C1CC1 235551434 344754609 /nfs/dbraw/zinc/75/46/09/344754609.db2.gz QWFJIGFXMDJXFC-VIFPVBQESA-N 1 1 195.306 2.228 10 0 AEAEMO C[C@H]1CC[N@@H+](CC(C)(C)C)[C@@H](CN)C1 235594503 344758265 /nfs/dbraw/zinc/75/82/65/344758265.db2.gz WXEWOSQSQHLMPL-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CCN(CC(C)(C)C)[C@@H](C[NH3+])C1 235594503 344758266 /nfs/dbraw/zinc/75/82/66/344758266.db2.gz WXEWOSQSQHLMPL-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CCC[C@H](C[N@@H+]2CCC(=O)C2)C1 235607221 344759166 /nfs/dbraw/zinc/75/91/66/344759166.db2.gz HEKADHRCCWSPNF-QWRGUYRKSA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@H]1C[N@H+](C(C)(C)C2CC2)CCC1=O 235636767 344760646 /nfs/dbraw/zinc/76/06/46/344760646.db2.gz CSKXSXRYZQOWNQ-VIFPVBQESA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@H]1CCC[C@@H](C[N@@H+]2CCC(=O)C2)C1 235678085 344762781 /nfs/dbraw/zinc/76/27/81/344762781.db2.gz HEKADHRCCWSPNF-WDEREUQCSA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@H]1CCC[C@@H](C[N@H+]2CCC(=O)C2)C1 235678085 344762783 /nfs/dbraw/zinc/76/27/83/344762783.db2.gz HEKADHRCCWSPNF-WDEREUQCSA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@H]1C[C@](O)(CCC2CC2)CC[N@H+]1C 235682672 344762854 /nfs/dbraw/zinc/76/28/54/344762854.db2.gz SDSBVECMUMIUJX-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1C[C@@](O)(CCC2CC2)CC[N@H+]1C 235725965 344764875 /nfs/dbraw/zinc/76/48/75/344764875.db2.gz SDSBVECMUMIUJX-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO Cc1cc(F)cc([C@@H]([NH3+])C(F)F)c1 235806153 344767280 /nfs/dbraw/zinc/76/72/80/344767280.db2.gz XEEYTQURJRXNEC-MRVPVSSYSA-N 1 1 189.180 2.399 10 0 AEAEMO Cc1cc(F)cc([C@H]([NH3+])C(F)F)c1 235806676 344767505 /nfs/dbraw/zinc/76/75/05/344767505.db2.gz XEEYTQURJRXNEC-QMMMGPOBSA-N 1 1 189.180 2.399 10 0 AEAEMO Cc1ccc(F)c([C@@H]2[NH2+]CCS2)c1 235862380 344769248 /nfs/dbraw/zinc/76/92/48/344769248.db2.gz TYURPBHQIUFDJL-SNVBAGLBSA-N 1 1 197.278 2.469 10 0 AEAEMO [NH3+]Cc1ncc(-c2ccoc2Cl)o1 236273784 344779223 /nfs/dbraw/zinc/77/92/23/344779223.db2.gz GHXCNDPNDCIOBZ-UHFFFAOYSA-N 1 1 198.609 2.047 10 0 AEAEMO [NH3+]Cc1ncc(-c2ccc(Cl)o2)o1 236273168 344779242 /nfs/dbraw/zinc/77/92/42/344779242.db2.gz TYVXYCGUTWZMMU-UHFFFAOYSA-N 1 1 198.609 2.047 10 0 AEAEMO [NH3+][C@H](C1=CCCCCC1)C(F)F 236299597 344780363 /nfs/dbraw/zinc/78/03/63/344780363.db2.gz SZQUWVBJYOPMPG-MRVPVSSYSA-N 1 1 175.222 2.469 10 0 AEAEMO [NH3+][C@H](C1=CCCCC1)C(F)F 236299592 344780445 /nfs/dbraw/zinc/78/04/45/344780445.db2.gz KCYRRGMVILMFHK-SSDOTTSWSA-N 1 1 161.195 2.079 10 0 AEAEMO [NH3+][C@@H](C1=CCCCC1)c1cnns1 236304843 344780528 /nfs/dbraw/zinc/78/05/28/344780528.db2.gz WLBBBWFSZYQHAJ-VIFPVBQESA-N 1 1 195.291 2.038 10 0 AEAEMO [NH3+][C@@H](C1=CCCO1)c1ccc(Cl)o1 236307325 344780667 /nfs/dbraw/zinc/78/06/67/344780667.db2.gz FAYQSPFWANAFPG-VIFPVBQESA-N 1 1 199.637 2.237 10 0 AEAEMO [NH3+][C@H](C1=CCCCC1)c1cnns1 236314230 344780804 /nfs/dbraw/zinc/78/08/04/344780804.db2.gz WLBBBWFSZYQHAJ-SECBINFHSA-N 1 1 195.291 2.038 10 0 AEAEMO [NH3+][C@@H](C1=CCCCCC1)C(F)F 236310243 344780906 /nfs/dbraw/zinc/78/09/06/344780906.db2.gz SZQUWVBJYOPMPG-QMMMGPOBSA-N 1 1 175.222 2.469 10 0 AEAEMO [NH3+][C@@H](C1=CCCCC1)C(F)F 236310234 344780962 /nfs/dbraw/zinc/78/09/62/344780962.db2.gz KCYRRGMVILMFHK-ZETCQYMHSA-N 1 1 161.195 2.079 10 0 AEAEMO [NH3+][C@H](C1=CCCO1)c1ccc(Cl)o1 236317184 344781486 /nfs/dbraw/zinc/78/14/86/344781486.db2.gz FAYQSPFWANAFPG-SECBINFHSA-N 1 1 199.637 2.237 10 0 AEAEMO c1ccc2c(c1)C[NH2+]C1(CCCC1)N2 238100965 344793052 /nfs/dbraw/zinc/79/30/52/344793052.db2.gz ZGEGFTSZLLBZRI-UHFFFAOYSA-N 1 1 188.274 2.472 10 0 AEAEMO CC[N@H+]1CC[C@@H](c2ccccc2N)C1 238268735 344798037 /nfs/dbraw/zinc/79/80/37/344798037.db2.gz IIZARRRCJJPRHP-SNVBAGLBSA-N 1 1 190.290 2.078 10 0 AEAEMO CC[N@H+]1CC[C@H](c2ccccc2N)C1 238270776 344798067 /nfs/dbraw/zinc/79/80/67/344798067.db2.gz IIZARRRCJJPRHP-JTQLQIEISA-N 1 1 190.290 2.078 10 0 AEAEMO [NH3+][C@@H](CF)c1c(F)ccc(F)c1F 238571914 344813431 /nfs/dbraw/zinc/81/34/31/344813431.db2.gz YNZULEGNXGZAFE-LURJTMIESA-N 1 1 193.143 2.073 10 0 AEAEMO [NH3+][C@H](CF)c1c(F)ccc(F)c1F 238683423 344818583 /nfs/dbraw/zinc/81/85/83/344818583.db2.gz YNZULEGNXGZAFE-ZCFIWIBFSA-N 1 1 193.143 2.073 10 0 AEAEMO C[C@H]1CCCC[N@@H+]1[C@H](C)CCCO 248113523 344827333 /nfs/dbraw/zinc/82/73/33/344827333.db2.gz RTELVYQRGATZSW-WDEREUQCSA-N 1 1 185.311 2.022 10 0 AEAEMO CC[N@@H+](C1CC1)[C@H]1CCCCC[C@H]1O 249897360 344828075 /nfs/dbraw/zinc/82/80/75/344828075.db2.gz FRQKYTNGCJOTHU-NWDGAFQWSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[N@@H+](C1CC1)[C@@H]1CCCCC[C@H]1O 249897366 344828051 /nfs/dbraw/zinc/82/80/51/344828051.db2.gz FRQKYTNGCJOTHU-VXGBXAGGSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[N@@H+](C)[C@]1(CN)C[C@H](C)CC[C@H]1C 249848697 344828107 /nfs/dbraw/zinc/82/81/07/344828107.db2.gz ABESIVUXWNMHMB-UTUOFQBUSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](C)[C@]1(CN)C[C@@H](C)CC[C@H]1C 249848692 344828120 /nfs/dbraw/zinc/82/81/20/344828120.db2.gz ABESIVUXWNMHMB-TUAOUCFPSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](C(C)C)[C@@H]1C[C@H](C)CC[C@H]1O 249991185 344828350 /nfs/dbraw/zinc/82/83/50/344828350.db2.gz MYISEDQUOLWHGW-IJLUTSLNSA-N 1 1 199.338 2.266 10 0 AEAEMO CC[N@@H+](C)[C@]1(CN)CC[C@H](C)[C@@H](C)C1 249987405 344828355 /nfs/dbraw/zinc/82/83/55/344828355.db2.gz MJURBTKERSUNLD-SDDRHHMPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCN(C)[C@]1(C[NH3+])CC[C@H](C)[C@@H](C)C1 249987405 344828357 /nfs/dbraw/zinc/82/83/57/344828357.db2.gz MJURBTKERSUNLD-SDDRHHMPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[N@H+]1CCC[C@H]1[C@H]1CCCC1=O 249965424 344828410 /nfs/dbraw/zinc/82/84/10/344828410.db2.gz KDXMQPBVHFWXEC-MNOVXSKESA-N 1 1 195.306 2.230 10 0 AEAEMO CC[N@@H+](C1CC1)[C@@H]1CCC(C)(C)[C@H]1O 249917757 344828430 /nfs/dbraw/zinc/82/84/30/344828430.db2.gz KILPIRNYZQGTRC-MNOVXSKESA-N 1 1 197.322 2.020 10 0 AEAEMO CC[N@@H+](C(C)C)[C@@H]1CCCCC[C@H]1N 249918849 344828558 /nfs/dbraw/zinc/82/85/58/344828558.db2.gz KQWZECZMYDOGGL-VXGBXAGGSA-N 1 1 198.354 2.377 10 0 AEAEMO CC[N@@H+](C(C)C)[C@H]1CCCCC[C@H]1N 249918844 344828586 /nfs/dbraw/zinc/82/85/86/344828586.db2.gz KQWZECZMYDOGGL-NEPJUHHUSA-N 1 1 198.354 2.377 10 0 AEAEMO CC[N@@H+](C)[C@]1(CN)CC[C@@H](C)[C@H](C)C1 249987401 344828715 /nfs/dbraw/zinc/82/87/15/344828715.db2.gz MJURBTKERSUNLD-IJLUTSLNSA-N 1 1 198.354 2.092 10 0 AEAEMO CCN(C)[C@]1(C[NH3+])CC[C@@H](C)[C@H](C)C1 249987401 344828718 /nfs/dbraw/zinc/82/87/18/344828718.db2.gz MJURBTKERSUNLD-IJLUTSLNSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[N@H+]1CCC[C@@H]1[C@H]1CCCC1=O 249965421 344828795 /nfs/dbraw/zinc/82/87/95/344828795.db2.gz KDXMQPBVHFWXEC-GHMZBOCLSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[N@@H+](C(C)C)[C@H]1CCC(C)(C)[C@H]1N 249913233 344828824 /nfs/dbraw/zinc/82/88/24/344828824.db2.gz JGZVZNRKKSDRTO-QWRGUYRKSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[N@@H+](C(C)C)[C@@H]1C[C@@H](C)CC[C@H]1O 249991188 344828861 /nfs/dbraw/zinc/82/88/61/344828861.db2.gz MYISEDQUOLWHGW-QJPTWQEYSA-N 1 1 199.338 2.266 10 0 AEAEMO CC[N@@H+](C1CC1)[C@H]1CCC(C)(C)[C@H]1O 249917759 344828864 /nfs/dbraw/zinc/82/88/64/344828864.db2.gz KILPIRNYZQGTRC-QWRGUYRKSA-N 1 1 197.322 2.020 10 0 AEAEMO CC[N@@H+](C1CCCC1)[C@@H]1CCC[C@H]1N 249988420 344828875 /nfs/dbraw/zinc/82/88/75/344828875.db2.gz MNRUYVRKENYGOG-VXGBXAGGSA-N 1 1 196.338 2.131 10 0 AEAEMO CC[N@@H+](C1CCCC1)[C@H]1CCC[C@H]1N 249988417 344828898 /nfs/dbraw/zinc/82/88/98/344828898.db2.gz MNRUYVRKENYGOG-NEPJUHHUSA-N 1 1 196.338 2.131 10 0 AEAEMO CC[N@@H+](C(C)C)[C@@H]1CCC(C)(C)[C@H]1N 249913231 344828909 /nfs/dbraw/zinc/82/89/09/344828909.db2.gz JGZVZNRKKSDRTO-MNOVXSKESA-N 1 1 198.354 2.233 10 0 AEAEMO CC[N@@H+](C)[C@H]1CCCCCC[C@H]1O 250071722 344829172 /nfs/dbraw/zinc/82/91/72/344829172.db2.gz RRDVMXHNRBRPDL-WDEREUQCSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[N@@H+](C)[C@H]1CCCC(C)(C)[C@H]1N 250009393 344829236 /nfs/dbraw/zinc/82/92/36/344829236.db2.gz KCMKCPRJCUWQSR-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCN(C)[C@H]1CCCC(C)(C)[C@H]1[NH3+] 250009393 344829238 /nfs/dbraw/zinc/82/92/38/344829238.db2.gz KCMKCPRJCUWQSR-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@H+]1C[C@H](C(C)(C)C)NC[C@H]1C 250012704 344829275 /nfs/dbraw/zinc/82/92/75/344829275.db2.gz QAMGBCAFLOHIPC-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCN1C[C@H](C(C)(C)C)[NH2+]C[C@H]1C 250012704 344829277 /nfs/dbraw/zinc/82/92/77/344829277.db2.gz QAMGBCAFLOHIPC-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@@H+](C)[C@H]1CCCCCC[C@H]1O 250013680 344829324 /nfs/dbraw/zinc/82/93/24/344829324.db2.gz LKHGHQCCHIVPDG-NWDGAFQWSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC[N@@H+](C)[C@@H]1CCCCCC[C@H]1O 250013684 344829356 /nfs/dbraw/zinc/82/93/56/344829356.db2.gz LKHGHQCCHIVPDG-VXGBXAGGSA-N 1 1 199.338 2.412 10 0 AEAEMO CC[N@@H+](C)[C@@H]1CCCCCC[C@H]1O 250071718 344829424 /nfs/dbraw/zinc/82/94/24/344829424.db2.gz RRDVMXHNRBRPDL-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[N@@H+](C)[C@@H]1CCCC(C)(C)[C@H]1O 250022262 344829441 /nfs/dbraw/zinc/82/94/41/344829441.db2.gz NVMZAAKKBKXSGZ-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[N@H+]1C[C@@H](C(C)(C)C)NC[C@H]1C 250012707 344829445 /nfs/dbraw/zinc/82/94/45/344829445.db2.gz QAMGBCAFLOHIPC-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CCCN1C[C@@H](C(C)(C)C)[NH2+]C[C@H]1C 250012707 344829446 /nfs/dbraw/zinc/82/94/46/344829446.db2.gz QAMGBCAFLOHIPC-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[N@@H+](C)[C@H]1CC(C)(C)CC[C@H]1O 250001659 344829544 /nfs/dbraw/zinc/82/95/44/344829544.db2.gz HWEMSMRCQXADLX-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[N@@H+](C)[C@@H]1CC(C)(C)CC[C@H]1O 250001651 344829588 /nfs/dbraw/zinc/82/95/88/344829588.db2.gz HWEMSMRCQXADLX-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@@H+](C)C[C@@H]1C(=O)C[C@H](C)C[C@H]1C 250100425 344830061 /nfs/dbraw/zinc/83/00/61/344830061.db2.gz YWVLUXUGZQKMSE-MXWKQRLJSA-N 1 1 197.322 2.189 10 0 AEAEMO CC[N@@H+](C1CC1)[C@H]1CCCCC[C@H]1N 250076766 344830090 /nfs/dbraw/zinc/83/00/90/344830090.db2.gz SUAGMSJLNUDRDI-NEPJUHHUSA-N 1 1 196.338 2.131 10 0 AEAEMO CCN(C1CC1)[C@H]1CCCCC[C@H]1[NH3+] 250076766 344830091 /nfs/dbraw/zinc/83/00/91/344830091.db2.gz SUAGMSJLNUDRDI-NEPJUHHUSA-N 1 1 196.338 2.131 10 0 AEAEMO CC[N@@H+](C)[C@]1(CN)CCC[C@H](C)[C@H]1C 250090041 344830171 /nfs/dbraw/zinc/83/01/71/344830171.db2.gz WORRKUGDUPZZRN-TUAOUCFPSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCN(C)[C@@H]1[C@H](C)C[C@@H](C)C[C@H]1[NH3+] 250118423 344830513 /nfs/dbraw/zinc/83/05/13/344830513.db2.gz URJNUSBJJZIEPI-DDHJBXDOSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC[N@@H+](C)[C@@H]1[C@H](C)C[C@H](C)C[C@H]1N 250118426 344830478 /nfs/dbraw/zinc/83/04/78/344830478.db2.gz URJNUSBJJZIEPI-IRCOFANPSA-N 1 1 198.354 2.090 10 0 AEAEMO CCCN(C)[C@@H]1[C@H](C)C[C@H](C)C[C@H]1[NH3+] 250118426 344830479 /nfs/dbraw/zinc/83/04/79/344830479.db2.gz URJNUSBJJZIEPI-IRCOFANPSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC[N@@H+](C)[C@H]1[C@@H](N)C[C@H](C)C[C@H]1C 250118429 344830507 /nfs/dbraw/zinc/83/05/07/344830507.db2.gz URJNUSBJJZIEPI-WISYIIOYSA-N 1 1 198.354 2.090 10 0 AEAEMO CCCN(C)[C@H]1[C@@H]([NH3+])C[C@H](C)C[C@H]1C 250118429 344830508 /nfs/dbraw/zinc/83/05/08/344830508.db2.gz URJNUSBJJZIEPI-WISYIIOYSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC[N@@H+](C)[C@@H]1[C@H](C)C[C@@H](C)C[C@H]1N 250118423 344830512 /nfs/dbraw/zinc/83/05/12/344830512.db2.gz URJNUSBJJZIEPI-DDHJBXDOSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC[N@@H+](C)[C@@H]1CCCCC[C@H]1O 250118526 344830562 /nfs/dbraw/zinc/83/05/62/344830562.db2.gz UVRJRNJXCWARIE-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO CC[N@H+]1CCCC[C@H]1[C@H]1CCCC1=O 250191529 344830588 /nfs/dbraw/zinc/83/05/88/344830588.db2.gz AJQRHQWIAVUINW-MNOVXSKESA-N 1 1 195.306 2.230 10 0 AEAEMO CC[N@H+]1CCCC[C@@H]1[C@H]1CCCC1=O 250191526 344830731 /nfs/dbraw/zinc/83/07/31/344830731.db2.gz AJQRHQWIAVUINW-GHMZBOCLSA-N 1 1 195.306 2.230 10 0 AEAEMO C[N@@H+](CC1CC1)[C@@H]1CCCCC[C@H]1O 250429555 344833713 /nfs/dbraw/zinc/83/37/13/344833713.db2.gz QVWWUHHADLXLTK-VXGBXAGGSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@H+](C1CCCCC1)[C@H]1CCC[C@H]1N 250431421 344833791 /nfs/dbraw/zinc/83/37/91/344833791.db2.gz RDDFZKSWFFBFJQ-NEPJUHHUSA-N 1 1 196.338 2.131 10 0 AEAEMO C[N@H+](C1CCCCC1)[C@@H]1CCC[C@H]1N 250431425 344833881 /nfs/dbraw/zinc/83/38/81/344833881.db2.gz RDDFZKSWFFBFJQ-VXGBXAGGSA-N 1 1 196.338 2.131 10 0 AEAEMO C[N@@H+](CC1CC1)[C@H]1CCCCC[C@H]1O 250429550 344833935 /nfs/dbraw/zinc/83/39/35/344833935.db2.gz QVWWUHHADLXLTK-NWDGAFQWSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)[N@@H+](C)[C@@H]1CCCCC[C@H]1O 250477586 344834458 /nfs/dbraw/zinc/83/44/58/344834458.db2.gz AXMREMDTGHAAHI-GHMZBOCLSA-N 1 1 185.311 2.020 10 0 AEAEMO CC(C)[N@@H+](C)[C@@H]1CCCCCC[C@H]1O 250516305 344835226 /nfs/dbraw/zinc/83/52/26/344835226.db2.gz QUAURYPLTWBLPV-VXGBXAGGSA-N 1 1 199.338 2.410 10 0 AEAEMO CC(C)[N@@H+](C)[C@H]1CCCCCC[C@H]1O 250516298 344835230 /nfs/dbraw/zinc/83/52/30/344835230.db2.gz QUAURYPLTWBLPV-NWDGAFQWSA-N 1 1 199.338 2.410 10 0 AEAEMO CC(C)[N@@H+](C)[C@H]1CC(C)(C)CC[C@H]1O 250537372 344836304 /nfs/dbraw/zinc/83/63/04/344836304.db2.gz ZIOCOGFEAFJRGK-WDEREUQCSA-N 1 1 199.338 2.266 10 0 AEAEMO CC(C)[N@@H+](C)[C@@H]1CC(C)(C)CC[C@H]1O 250537367 344836379 /nfs/dbraw/zinc/83/63/79/344836379.db2.gz ZIOCOGFEAFJRGK-GHMZBOCLSA-N 1 1 199.338 2.266 10 0 AEAEMO CC(C)C[N@@H+](C)[C@H]1CCC(C)(C)[C@H]1N 250610571 344836782 /nfs/dbraw/zinc/83/67/82/344836782.db2.gz ZKHHBVOWENYMJJ-QWRGUYRKSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[N@@H+](C)[C@@H]1CCC(C)(C)[C@H]1N 250610570 344837004 /nfs/dbraw/zinc/83/70/04/344837004.db2.gz ZKHHBVOWENYMJJ-MNOVXSKESA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[N@@H+](C)[C@H]1CCC(C)(C)[C@H]1O 250603803 344837176 /nfs/dbraw/zinc/83/71/76/344837176.db2.gz UMWWVAHTZDEVRN-QWRGUYRKSA-N 1 1 199.338 2.124 10 0 AEAEMO CC(C)C[N@@H+](C)[C@@H]1CCC(C)(C)[C@H]1O 250603802 344837285 /nfs/dbraw/zinc/83/72/85/344837285.db2.gz UMWWVAHTZDEVRN-MNOVXSKESA-N 1 1 199.338 2.124 10 0 AEAEMO C[N@H+]1CCCC[C@H]1[C@H]1CCCCC1=O 250639961 344837951 /nfs/dbraw/zinc/83/79/51/344837951.db2.gz SVVFNFDAGSMHFS-MNOVXSKESA-N 1 1 195.306 2.230 10 0 AEAEMO C[N@H+]1CCCC[C@@H]1[C@H]1CCCCC1=O 250639953 344838014 /nfs/dbraw/zinc/83/80/14/344838014.db2.gz SVVFNFDAGSMHFS-GHMZBOCLSA-N 1 1 195.306 2.230 10 0 AEAEMO C[N@@H+](CC(C)(C)C)[C@H]1CCCC[C@H]1N 250718944 344840014 /nfs/dbraw/zinc/84/00/14/344840014.db2.gz UXEMIUXMOWDZRP-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO CN(CC(C)(C)C)[C@H]1CCCC[C@H]1[NH3+] 250718944 344840015 /nfs/dbraw/zinc/84/00/15/344840015.db2.gz UXEMIUXMOWDZRP-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO C[N@@H+](CC(C)(C)C)[C@@H]1CCCC[C@H]1N 250718942 344840078 /nfs/dbraw/zinc/84/00/78/344840078.db2.gz UXEMIUXMOWDZRP-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H]1[C@H]1CCCC1=O 250701512 344840175 /nfs/dbraw/zinc/84/01/75/344840175.db2.gz AVEKWVMKQBDKHP-MNOVXSKESA-N 1 1 195.306 2.228 10 0 AEAEMO CC1(C)CCC[N@H+]1C[C@@H]1CCC[C@H]1O 250791381 344841328 /nfs/dbraw/zinc/84/13/28/344841328.db2.gz JCDGPZURIOUFQY-WDEREUQCSA-N 1 1 197.322 2.022 10 0 AEAEMO CC1(C)CC[N@H+]([C@H]2CCCC[C@H]2O)C1 250793484 344841545 /nfs/dbraw/zinc/84/15/45/344841545.db2.gz KPNDJQIRVWMCTJ-WDEREUQCSA-N 1 1 197.322 2.022 10 0 AEAEMO CC1(C)CCC[N@H+]1[C@@H]1CCCC[C@H]1N 250796952 344841570 /nfs/dbraw/zinc/84/15/70/344841570.db2.gz MIHTYISBJCIJEA-GHMZBOCLSA-N 1 1 196.338 2.131 10 0 AEAEMO CC1(C)CCC[N@H+]1[C@H]1CCCC[C@H]1O 250800274 344841598 /nfs/dbraw/zinc/84/15/98/344841598.db2.gz OHSMWPHGBUIFGD-WDEREUQCSA-N 1 1 197.322 2.164 10 0 AEAEMO CC1(C)CCC[N@H+]1[C@H]1CCCC[C@H]1N 250796956 344841605 /nfs/dbraw/zinc/84/16/05/344841605.db2.gz MIHTYISBJCIJEA-MNOVXSKESA-N 1 1 196.338 2.131 10 0 AEAEMO C[C@H]([N@@H+](C)[C@H]1CCCC1=O)C(C)(C)C 251022671 344844238 /nfs/dbraw/zinc/84/42/38/344844238.db2.gz DKVJHDHOWCGZJM-UWVGGRQHSA-N 1 1 197.322 2.474 10 0 AEAEMO C[C@H]([N@@H+](C)[C@H]1CC[C@@H](O)C1)C(C)(C)C 251038545 344844684 /nfs/dbraw/zinc/84/46/84/344844684.db2.gz KHZATXNPRJNNJR-GARJFASQSA-N 1 1 199.338 2.266 10 0 AEAEMO C[C@H]([N@@H+](C)[C@H]1CC[C@H](O)C1)C(C)(C)C 251038543 344844776 /nfs/dbraw/zinc/84/47/76/344844776.db2.gz KHZATXNPRJNNJR-DCAQKATOSA-N 1 1 199.338 2.266 10 0 AEAEMO C[C@@H]([N@@H+](C)[C@H]1CCC(=O)C1)C(C)(C)C 251088370 344846421 /nfs/dbraw/zinc/84/64/21/344846421.db2.gz YJHIIVJWJAKKCE-ZJUUUORDSA-N 1 1 197.322 2.474 10 0 AEAEMO C[C@H]([N@@H+](C)[C@H]1CCC(=O)C1)C(C)(C)C 251088368 344846584 /nfs/dbraw/zinc/84/65/84/344846584.db2.gz YJHIIVJWJAKKCE-UWVGGRQHSA-N 1 1 197.322 2.474 10 0 AEAEMO CC[C@@H](O)C[N@H+]1CCCCC[C@H]1C 251085817 344846754 /nfs/dbraw/zinc/84/67/54/344846754.db2.gz NFMUCWXRGSOCIV-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC(=O)C[N@H+]1C[C@H](C)CC[C@H]1C 251184928 344848592 /nfs/dbraw/zinc/84/85/92/344848592.db2.gz AQBDNSJCSQUKMS-NXEZZACHSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC(=O)C[N@H+]1C[C@@H](C)CC[C@H]1C 251184932 344848632 /nfs/dbraw/zinc/84/86/32/344848632.db2.gz AQBDNSJCSQUKMS-VHSXEESVSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC(=O)C[N@H+]1CC[C@H](C)C[C@H]1C 251207419 344848807 /nfs/dbraw/zinc/84/88/07/344848807.db2.gz IQVWPYAIPKAFSK-VHSXEESVSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@@H]1CCCC[C@H]1N 251204908 344848867 /nfs/dbraw/zinc/84/88/67/344848867.db2.gz CLXRRVWFIMFJMM-GHMZBOCLSA-N 1 1 198.354 2.377 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@H]1CCCC[C@H]1N 251204911 344848952 /nfs/dbraw/zinc/84/89/52/344848952.db2.gz CLXRRVWFIMFJMM-MNOVXSKESA-N 1 1 198.354 2.377 10 0 AEAEMO C[C@H](O)CC[N@H+]1CCC[C@H]2CCC[C@H]21 251194874 344849110 /nfs/dbraw/zinc/84/91/10/344849110.db2.gz JRQNNFIPISAFGE-QJPTWQEYSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+]1CCCC[C@H]1C 251195062 344849156 /nfs/dbraw/zinc/84/91/56/344849156.db2.gz DTFVTDOTFJWZSO-ZJUUUORDSA-N 1 1 183.295 2.228 10 0 AEAEMO CC[C@H](C(C)C)[N@H+]1CC[C@H](C)[C@@H](N)C1 251195536 344849190 /nfs/dbraw/zinc/84/91/90/344849190.db2.gz BCZNEXBXXWYUDO-SDDRHHMPSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C 251207418 344849201 /nfs/dbraw/zinc/84/92/01/344849201.db2.gz IQVWPYAIPKAFSK-NXEZZACHSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC(=O)[C@@H](C)[N@H+]1CCCC[C@H]1C 251195057 344849259 /nfs/dbraw/zinc/84/92/59/344849259.db2.gz DTFVTDOTFJWZSO-NXEZZACHSA-N 1 1 183.295 2.228 10 0 AEAEMO CC[C@H](O)[C@@H](C)[N@H+]1CCCC[C@H]1C 251216969 344849413 /nfs/dbraw/zinc/84/94/13/344849413.db2.gz FJNPGBXWQSRVRF-MXWKQRLJSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@H+]1CCCC[C@H]1C 251216972 344849435 /nfs/dbraw/zinc/84/94/35/344849435.db2.gz FJNPGBXWQSRVRF-VWYCJHECSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@H](C(C)C)[N@H+]1CCC(=O)C[C@H]1C 251216012 344849637 /nfs/dbraw/zinc/84/96/37/344849637.db2.gz FHFHXCLQLXZVOP-ZYHUDNBSSA-N 1 1 197.322 2.474 10 0 AEAEMO CC[C@@H](C(C)C)[N@H+]1CCC(=O)C[C@H]1C 251216011 344849724 /nfs/dbraw/zinc/84/97/24/344849724.db2.gz FHFHXCLQLXZVOP-PWSUYJOCSA-N 1 1 197.322 2.474 10 0 AEAEMO CC[C@H](N)[C@H](C)[N@H+]1C[C@H](C)CC[C@H]1C 251227880 344849981 /nfs/dbraw/zinc/84/99/81/344849981.db2.gz HANBQMSQCVZNQH-WYUUTHIRSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@H](N)[C@H](C)[N@H+]1C[C@@H](C)CC[C@H]1C 251227876 344850255 /nfs/dbraw/zinc/85/02/55/344850255.db2.gz HANBQMSQCVZNQH-USZNOCQGSA-N 1 1 198.354 2.233 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+]1CCC[C@H](C)[C@H]1C 251246535 344850434 /nfs/dbraw/zinc/85/04/34/344850434.db2.gz USOANBNRZRLTMV-AXFHLTTASA-N 1 1 197.322 2.474 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+]1CCC[C@@H](C)[C@H]1C 251246536 344850450 /nfs/dbraw/zinc/85/04/50/344850450.db2.gz USOANBNRZRLTMV-MXWKQRLJSA-N 1 1 197.322 2.474 10 0 AEAEMO CC[C@](C)(CN)[N@H+]1CCCCC[C@H]1C 251257486 344850482 /nfs/dbraw/zinc/85/04/82/344850482.db2.gz KVSJOCASEKHLIR-VXGBXAGGSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+]1C[C@H](C)CC[C@H]1C 251243402 344850529 /nfs/dbraw/zinc/85/05/29/344850529.db2.gz TZHZRMOBRDRQGL-MXWKQRLJSA-N 1 1 197.322 2.474 10 0 AEAEMO CC[C@H](C(C)C)[N@H+]1C[C@@H](C)C[C@H](N)C1 251238019 344850535 /nfs/dbraw/zinc/85/05/35/344850535.db2.gz IKWSVIRWDIFFKB-SDDRHHMPSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@H](C(C)C)[N@H+]1C[C@H](C)C[C@@H](N)C1 251238018 344850570 /nfs/dbraw/zinc/85/05/70/344850570.db2.gz IKWSVIRWDIFFKB-IJLUTSLNSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+]1CC[C@H](C)C[C@H]1C 251242173 344850604 /nfs/dbraw/zinc/85/06/04/344850604.db2.gz TYAAXAMJMHOCKO-AXFHLTTASA-N 1 1 197.322 2.474 10 0 AEAEMO CC[C@@](C)(CN)[N@H+]1CCCCC[C@H]1C 251257483 344850615 /nfs/dbraw/zinc/85/06/15/344850615.db2.gz KVSJOCASEKHLIR-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC(=O)C[N@H+]1CCC[C@H](C)[C@H]1C 251262011 344850971 /nfs/dbraw/zinc/85/09/71/344850971.db2.gz YNYJBIHOTWWNHZ-VHSXEESVSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@H](C(C)C)[N@H+]1C[C@H](C)NC[C@H]1C 251313827 344851793 /nfs/dbraw/zinc/85/17/93/344851793.db2.gz UCFVZAMGWSSSHA-QJPTWQEYSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@](C)(CN)[N@H+]1CCC[C@@H](C)[C@H]1C 251322452 344851806 /nfs/dbraw/zinc/85/18/06/344851806.db2.gz VORNBBYYNBJGCE-IJLUTSLNSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@](C)(CN)[N@H+]1CCC[C@H](C)[C@H]1C 251322455 344851820 /nfs/dbraw/zinc/85/18/20/344851820.db2.gz VORNBBYYNBJGCE-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C(C)C)[N@H+]1C[C@@H](C)NC[C@H]1C 251313823 344851942 /nfs/dbraw/zinc/85/19/42/344851942.db2.gz UCFVZAMGWSSSHA-IJLUTSLNSA-N 1 1 198.354 2.103 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CC(C)(C)NC[C@H]1C 251329937 344852151 /nfs/dbraw/zinc/85/21/51/344852151.db2.gz NEGGHWKNDGLGGB-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)[C@H]1CCC[C@H](O)C1 251334392 344852210 /nfs/dbraw/zinc/85/22/10/344852210.db2.gz OZXCDLHLMQPFTM-SRVKXCTJSA-N 1 1 199.338 2.266 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)[C@H]1CCC[C@@H](O)C1 251334391 344852276 /nfs/dbraw/zinc/85/22/76/344852276.db2.gz OZXCDLHLMQPFTM-SDDRHHMPSA-N 1 1 199.338 2.266 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC(C)(C)NC[C@H]1C 251329941 344852365 /nfs/dbraw/zinc/85/23/65/344852365.db2.gz NEGGHWKNDGLGGB-WDEREUQCSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@](C)(N)C[N@H+]1CCC[C@H](C)[C@H]1C 251367377 344852608 /nfs/dbraw/zinc/85/26/08/344852608.db2.gz XWLZJVVWWHKGBX-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@](C)([NH3+])CN1CCC[C@H](C)[C@H]1C 251367377 344852609 /nfs/dbraw/zinc/85/26/09/344852609.db2.gz XWLZJVVWWHKGBX-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@](C)(N)C[N@H+]1CCC[C@@H](C)[C@H]1C 251367379 344852787 /nfs/dbraw/zinc/85/27/87/344852787.db2.gz XWLZJVVWWHKGBX-UTUOFQBUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@](C)([NH3+])CN1CCC[C@@H](C)[C@H]1C 251367379 344852789 /nfs/dbraw/zinc/85/27/89/344852789.db2.gz XWLZJVVWWHKGBX-UTUOFQBUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@](C)(CN)[N@H+]1CC[C@@H](C)C[C@H]1C 251369543 344852847 /nfs/dbraw/zinc/85/28/47/344852847.db2.gz YITYNKAGYCUMLM-IJLUTSLNSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[C@H](C)[N@H+](C)[C@H]1CCCCNC1 251373689 344852876 /nfs/dbraw/zinc/85/28/76/344852876.db2.gz XSFODNWUUZXOLT-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)[C@H]1CCCCNC1 251373689 344852877 /nfs/dbraw/zinc/85/28/77/344852877.db2.gz XSFODNWUUZXOLT-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[C@@H](C)[N@H+](C)[C@H]1CCCCNC1 251373686 344852909 /nfs/dbraw/zinc/85/29/09/344852909.db2.gz XSFODNWUUZXOLT-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)[C@H]1CCCCNC1 251373686 344852912 /nfs/dbraw/zinc/85/29/12/344852912.db2.gz XSFODNWUUZXOLT-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@](C)(CN)[N@H+]1CC[C@H](C)C[C@H]1C 251370290 344852927 /nfs/dbraw/zinc/85/29/27/344852927.db2.gz YITYNKAGYCUMLM-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@](C)(CN)[N@H+]1C[C@@H](C)CC[C@H]1C 251377089 344853232 /nfs/dbraw/zinc/85/32/32/344853232.db2.gz ZKZWKALPFHDNGD-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)[NH2+][C@@H]1CCCCC[C@H]1N 251395272 344853260 /nfs/dbraw/zinc/85/32/60/344853260.db2.gz XTMJWAYMMLDOGO-HBNTYKKESA-N 1 1 184.327 2.035 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCC(=O)C[C@H]1C 251388038 344853342 /nfs/dbraw/zinc/85/33/42/344853342.db2.gz XMMPBUBUZDPNMH-VHSXEESVSA-N 1 1 183.295 2.228 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCC(=O)C[C@H]1C 251388036 344853366 /nfs/dbraw/zinc/85/33/66/344853366.db2.gz XMMPBUBUZDPNMH-NXEZZACHSA-N 1 1 183.295 2.228 10 0 AEAEMO CC[C@H](C)[NH2+][C@H]1CCCCC[C@H]1N 251395270 344853394 /nfs/dbraw/zinc/85/33/94/344853394.db2.gz XTMJWAYMMLDOGO-AXFHLTTASA-N 1 1 184.327 2.035 10 0 AEAEMO CC[C@](C)(CN)[N@H+]1C[C@H](C)CC[C@H]1C 251377088 344853407 /nfs/dbraw/zinc/85/34/07/344853407.db2.gz ZKZWKALPFHDNGD-IJLUTSLNSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@@]1(O)CC[N@H+]2CCC[C@H]2C1 251444053 344853983 /nfs/dbraw/zinc/85/39/83/344853983.db2.gz WCCDBADGZVCWGR-RYUDHWBXSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)[C@@H]1CCC[N@H+]1[C@H]1CCC[C@H]1O 251428933 344854005 /nfs/dbraw/zinc/85/40/05/344854005.db2.gz RMWPYXXPURFIHH-SDDRHHMPSA-N 1 1 197.322 2.020 10 0 AEAEMO CC(C)C[C@]1(O)CC[N@H+]2CCC[C@H]2C1 251444050 344854067 /nfs/dbraw/zinc/85/40/67/344854067.db2.gz WCCDBADGZVCWGR-NWDGAFQWSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@H+]1[C@H](C)[C@@H](C)O 251494036 344855139 /nfs/dbraw/zinc/85/51/39/344855139.db2.gz DFWVHAOWNSGXQX-LNFKQOIKSA-N 1 1 185.311 2.019 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@H+]1[C@@H](C)[C@H](C)O 251494039 344855221 /nfs/dbraw/zinc/85/52/21/344855221.db2.gz DFWVHAOWNSGXQX-XWLWVQCSSA-N 1 1 185.311 2.019 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@H+]1[C@H](C)[C@H](C)O 251494041 344855269 /nfs/dbraw/zinc/85/52/69/344855269.db2.gz DFWVHAOWNSGXQX-ZRUFSTJUSA-N 1 1 185.311 2.019 10 0 AEAEMO CC(C)[C@H](O)C[N@H+]1C[C@H](C)CC[C@@H]1C 251545995 344857040 /nfs/dbraw/zinc/85/70/40/344857040.db2.gz AUVCRDWMRDQIQY-GRYCIOLGSA-N 1 1 199.338 2.124 10 0 AEAEMO CC(C)[C@H](O)C[N@H+]1C[C@H](C)CC[C@H]1C 251546006 344857306 /nfs/dbraw/zinc/85/73/06/344857306.db2.gz AUVCRDWMRDQIQY-IJLUTSLNSA-N 1 1 199.338 2.124 10 0 AEAEMO C[C@@H](C1CC1)[N@@H+](C)[C@H]1CCCC(=O)C1 251558182 344857796 /nfs/dbraw/zinc/85/77/96/344857796.db2.gz MCBLHOIPXQLDIL-ONGXEEELSA-N 1 1 195.306 2.228 10 0 AEAEMO C[C@H](C1CC1)[N@@H+](C)[C@H]1CCCC(=O)C1 251558170 344858094 /nfs/dbraw/zinc/85/80/94/344858094.db2.gz MCBLHOIPXQLDIL-KOLCDFICSA-N 1 1 195.306 2.228 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@H+]1[C@H](C)C(C)=O 251572915 344858364 /nfs/dbraw/zinc/85/83/64/344858364.db2.gz JCBUWDUWTMNDOY-IQJOONFLSA-N 1 1 183.295 2.227 10 0 AEAEMO C[C@@H]1CC[N@@H+](CCC(C)(C)C)C[C@H]1N 251609734 344860586 /nfs/dbraw/zinc/86/05/86/344860586.db2.gz GVIUWMACOPWEDT-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1CCN(CCC(C)(C)C)C[C@H]1[NH3+] 251609734 344860588 /nfs/dbraw/zinc/86/05/88/344860588.db2.gz GVIUWMACOPWEDT-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CC[N@@H+](CCC(C)(C)C)C[C@H]1N 251609740 344860774 /nfs/dbraw/zinc/86/07/74/344860774.db2.gz GVIUWMACOPWEDT-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CCN(CCC(C)(C)C)C[C@H]1[NH3+] 251609740 344860776 /nfs/dbraw/zinc/86/07/76/344860776.db2.gz GVIUWMACOPWEDT-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1[C@H]1CCC(=O)C1 251650304 344863670 /nfs/dbraw/zinc/86/36/70/344863670.db2.gz GLGJLEZZYYOCND-MNOVXSKESA-N 1 1 195.306 2.373 10 0 AEAEMO CC[C@@H]1CCC[N@@H+]1[C@H]1CCCCNC1 251665113 344864302 /nfs/dbraw/zinc/86/43/02/344864302.db2.gz HFRJOUYATKYJRV-NEPJUHHUSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H]1CCC[N@@H+]1[C@H]1CCCCNC1 251665117 344864353 /nfs/dbraw/zinc/86/43/53/344864353.db2.gz HFRJOUYATKYJRV-RYUDHWBXSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@H](C)NC[C@H]1C(C)C 251678789 344865104 /nfs/dbraw/zinc/86/51/04/344865104.db2.gz CYARXZUFLWBZLG-SRVKXCTJSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@@H](C)NC[C@H]1C(C)C 251678792 344865168 /nfs/dbraw/zinc/86/51/68/344865168.db2.gz CYARXZUFLWBZLG-WOPDTQHZSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H](C)[N@H+]1CC(C)(C)NCC[C@H]1C 251673722 344865235 /nfs/dbraw/zinc/86/52/35/344865235.db2.gz CQPDYTAJQKPHPP-WDEREUQCSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H](C)[N@H+]1CC(C)(C)NCC[C@H]1C 251673717 344865266 /nfs/dbraw/zinc/86/52/66/344865266.db2.gz CQPDYTAJQKPHPP-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCC[C@H]1O 251699016 344866977 /nfs/dbraw/zinc/86/69/77/344866977.db2.gz QKMWHRZYYVCCEU-WHOHXGKFSA-N 1 1 197.322 2.163 10 0 AEAEMO C[C@@H]1CC[N@@H+]1[C@H](C)c1ccc(N)cc1 251706486 344867090 /nfs/dbraw/zinc/86/70/90/344867090.db2.gz ONSWCYCZHPJTEI-NXEZZACHSA-N 1 1 190.290 2.424 10 0 AEAEMO CC[C@H]1CC[N@H+]([C@H](C)C(C)C)CCN1 251713484 344867765 /nfs/dbraw/zinc/86/77/65/344867765.db2.gz JQKZEKGBOHQLLG-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1CCN([C@H](C)C(C)C)CC[NH2+]1 251713484 344867767 /nfs/dbraw/zinc/86/77/67/344867767.db2.gz JQKZEKGBOHQLLG-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@H+]1C[C@H](C)C[C@@H](N)C1 251711964 344867776 /nfs/dbraw/zinc/86/77/76/344867776.db2.gz DJEHQWMHILJSGQ-NOOOWODRSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@@H]1CC[N@H+]([C@H](C)C(C)C)CCN1 251713487 344867797 /nfs/dbraw/zinc/86/77/97/344867797.db2.gz JQKZEKGBOHQLLG-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CCN([C@H](C)C(C)C)CC[NH2+]1 251713487 344867798 /nfs/dbraw/zinc/86/77/98/344867798.db2.gz JQKZEKGBOHQLLG-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@H+]1C[C@@H](C)C[C@H](N)C1 251711960 344868122 /nfs/dbraw/zinc/86/81/22/344868122.db2.gz DJEHQWMHILJSGQ-BJDJZHNGSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@@H]1CC[C@H]([N@@H+]2CCC(=O)C2)[C@H]1C 251726122 344868734 /nfs/dbraw/zinc/86/87/34/344868734.db2.gz SDVKORCMJYOBLP-UMNHJUIQSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@@H]1CC[C@H]([N@H+]2CCC(=O)C2)[C@H]1C 251726122 344868736 /nfs/dbraw/zinc/86/87/36/344868736.db2.gz SDVKORCMJYOBLP-UMNHJUIQSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@@H]1CC[C@@H]([N@@H+]2CCC(=O)C2)[C@H]1C 251726117 344868879 /nfs/dbraw/zinc/86/88/79/344868879.db2.gz SDVKORCMJYOBLP-HOSYDEDBSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@@H]1CC[C@@H]([N@H+]2CCC(=O)C2)[C@H]1C 251726117 344868882 /nfs/dbraw/zinc/86/88/82/344868882.db2.gz SDVKORCMJYOBLP-HOSYDEDBSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@H]1CC[N@@H+](C[C@H]2CCCCC2=O)C1 251740888 344869881 /nfs/dbraw/zinc/86/98/81/344869881.db2.gz RHXWTTBXBGVUNV-WDEREUQCSA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@@H]1CC[N@@H+](C[C@H]2CCCCC2=O)C1 251740886 344870063 /nfs/dbraw/zinc/87/00/63/344870063.db2.gz RHXWTTBXBGVUNV-GHMZBOCLSA-N 1 1 195.306 2.088 10 0 AEAEMO CC[C@@H]1CCC[N@H+]([C@H]2CCC(=O)C2)C1 251751076 344870529 /nfs/dbraw/zinc/87/05/29/344870529.db2.gz LJSCXNTWCIOTAP-MNOVXSKESA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@H]1CCC[N@H+]([C@H]2CCC(=O)C2)C1 251751080 344870772 /nfs/dbraw/zinc/87/07/72/344870772.db2.gz LJSCXNTWCIOTAP-QWRGUYRKSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@@H]1CC[N@@H+](CC[C@H]2CCCC2=O)C1 251760645 344871344 /nfs/dbraw/zinc/87/13/44/344871344.db2.gz UDBMNBWFLHCSKQ-GHMZBOCLSA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@H]1CC[N@@H+](CC[C@H]2CCCC2=O)C1 251760647 344871441 /nfs/dbraw/zinc/87/14/41/344871441.db2.gz UDBMNBWFLHCSKQ-WDEREUQCSA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@@H]1CC[N@@H+]1[C@H](C)c1ccccc1N 251772183 344872011 /nfs/dbraw/zinc/87/20/11/344872011.db2.gz VHCJVSIYQMGOLC-NXEZZACHSA-N 1 1 190.290 2.424 10 0 AEAEMO C[C@@H]1CC[C@@H](C)[N@H+]([C@H]2CCCC2=O)C1 251769607 344872161 /nfs/dbraw/zinc/87/21/61/344872161.db2.gz KOWCTSUYHLVSJR-MXWKQRLJSA-N 1 1 195.306 2.228 10 0 AEAEMO CC[C@H](C)[C@@H]1C[NH2+][C@](C)(CC)CN1C 251777518 344872601 /nfs/dbraw/zinc/87/26/01/344872601.db2.gz IWCZJNMGRRAOND-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@H]1C[NH2+][C@](C)(CC)CN1C 251777515 344872783 /nfs/dbraw/zinc/87/27/83/344872783.db2.gz IWCZJNMGRRAOND-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@H]1CN[C@](C)(CC)C[N@H+]1C 251777515 344872781 /nfs/dbraw/zinc/87/27/81/344872781.db2.gz IWCZJNMGRRAOND-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@H]1C[N@H+](C)[C@](C)(CC)CN1 251793116 344873250 /nfs/dbraw/zinc/87/32/50/344873250.db2.gz JYRULIGAGNMRLX-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@@H]1C[N@H+](C)[C@](C)(CC)CN1 251793119 344873358 /nfs/dbraw/zinc/87/33/58/344873358.db2.gz JYRULIGAGNMRLX-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@@H]1C[N@@H+](C)[C@](C)(CC)CN1 251793119 344873359 /nfs/dbraw/zinc/87/33/59/344873359.db2.gz JYRULIGAGNMRLX-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[C@@H](C)[N@H+]1CCCN[C@H](C)C1 251851689 344876516 /nfs/dbraw/zinc/87/65/16/344876516.db2.gz RMOASKODOWFXOT-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@@H](C)[N@H+]1CCN[C@H](C)CC1 251852792 344876523 /nfs/dbraw/zinc/87/65/23/344876523.db2.gz NFYIRWRPSAAALV-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CCC[N@@H+]1[C@H]1CCC[C@H]1NC 251854602 344877080 /nfs/dbraw/zinc/87/70/80/344877080.db2.gz SDTMFIQCQTYDFJ-UTUOFQBUSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@H]1CCC[C@H]1NC 251854602 344877086 /nfs/dbraw/zinc/87/70/86/344877086.db2.gz SDTMFIQCQTYDFJ-UTUOFQBUSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@@H]1C[N@@H+]([C@H](C)CC2CC2)CCC1=O 251854489 344877286 /nfs/dbraw/zinc/87/72/86/344877286.db2.gz RUJKYYAQALNGQS-NXEZZACHSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@H]1C[N@@H+](C(C)C)[C@](C)(CC)CN1 251860197 344877449 /nfs/dbraw/zinc/87/74/49/344877449.db2.gz SRHJUDJTAZJWAE-NWDGAFQWSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H]1CN(C(C)C)[C@](C)(CC)C[NH2+]1 251860197 344877450 /nfs/dbraw/zinc/87/74/50/344877450.db2.gz SRHJUDJTAZJWAE-NWDGAFQWSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H]1C[N@@H+](C(C)C)[C@](C)(CC)CN1 251860198 344877455 /nfs/dbraw/zinc/87/74/55/344877455.db2.gz SRHJUDJTAZJWAE-VXGBXAGGSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H]1CN(C(C)C)[C@](C)(CC)C[NH2+]1 251860198 344877456 /nfs/dbraw/zinc/87/74/56/344877456.db2.gz SRHJUDJTAZJWAE-VXGBXAGGSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1[C@H]1CCC[C@@H]1N 251868554 344877699 /nfs/dbraw/zinc/87/76/99/344877699.db2.gz UEYQORMQUQBVIL-WOPDTQHZSA-N 1 1 196.338 2.131 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1[C@@H]1CCC[C@H]1N 251868550 344878025 /nfs/dbraw/zinc/87/80/25/344878025.db2.gz UEYQORMQUQBVIL-IJLUTSLNSA-N 1 1 196.338 2.131 10 0 AEAEMO CC[C@H]1CCC[N@H+]([C@H](C)C(C)=O)CC1 251871282 344878180 /nfs/dbraw/zinc/87/81/80/344878180.db2.gz UKPFSNWQKYVJQM-PWSUYJOCSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@@H]1CCC[N@H+]([C@H](C)C(C)=O)CC1 251871286 344878242 /nfs/dbraw/zinc/87/82/42/344878242.db2.gz UKPFSNWQKYVJQM-ZYHUDNBSSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1[C@H]1CCC[C@H]1N 251868552 344878275 /nfs/dbraw/zinc/87/82/75/344878275.db2.gz UEYQORMQUQBVIL-UTUOFQBUSA-N 1 1 196.338 2.131 10 0 AEAEMO CC(C)[C@@H](CN)[N@H+]1C[C@H](C)CC[C@@H]1C 251887755 344878980 /nfs/dbraw/zinc/87/89/80/344878980.db2.gz RPMNAOALIZJHCZ-GRYCIOLGSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@@H](CN)[N@H+]1C[C@H](C)CC[C@H]1C 251887757 344879055 /nfs/dbraw/zinc/87/90/55/344879055.db2.gz RPMNAOALIZJHCZ-IJLUTSLNSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@H]1CCC[N@H+]1C[C@H]1CCCC1=O 251914021 344880013 /nfs/dbraw/zinc/88/00/13/344880013.db2.gz XWYGWXVVUIEHQH-MNOVXSKESA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1C[C@H]1CCCC1=O 251914020 344880217 /nfs/dbraw/zinc/88/02/17/344880217.db2.gz XWYGWXVVUIEHQH-GHMZBOCLSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)[C@@H](C)[N@H+]1CC(C)(C)NC[C@H]1C 251923483 344880468 /nfs/dbraw/zinc/88/04/68/344880468.db2.gz YDJYBKNJUZIEDH-GHMZBOCLSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H](C)C[N@H+]1CC(C)(C)NC[C@H]1C 251926386 344880936 /nfs/dbraw/zinc/88/09/36/344880936.db2.gz QSBXVJSXTGMPBA-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CC(C)(C)NC[C@H]1C 251926385 344880976 /nfs/dbraw/zinc/88/09/76/344880976.db2.gz QSBXVJSXTGMPBA-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CN[C@H](C)C[N@H+]1[C@H](C)C(C)C 251935286 344881449 /nfs/dbraw/zinc/88/14/49/344881449.db2.gz ZQVVXQLOUQBYFF-IJLUTSLNSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@@H]1CN[C@@H](C)C[N@H+]1[C@H](C)C(C)C 251935289 344881478 /nfs/dbraw/zinc/88/14/78/344881478.db2.gz ZQVVXQLOUQBYFF-QJPTWQEYSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)[C@@H](C)[N@H+](C)[C@H]1CC[C@@H](C)NC1 251978105 344882685 /nfs/dbraw/zinc/88/26/85/344882685.db2.gz YNWKDAIGQLSUAV-UTUOFQBUSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)[C@H]1CC[C@@H](C)NC1 251978105 344882687 /nfs/dbraw/zinc/88/26/87/344882687.db2.gz YNWKDAIGQLSUAV-UTUOFQBUSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@H]1CCCCC[C@@H]1O 252030587 344883142 /nfs/dbraw/zinc/88/31/42/344883142.db2.gz ZFGMLOANPXQJQQ-SRVKXCTJSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@H]1CCC(C)(C)[C@H]1O 252017973 344883213 /nfs/dbraw/zinc/88/32/13/344883213.db2.gz WWRDHCQDXLTISZ-AXFHLTTASA-N 1 1 199.338 2.266 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@H]1CCCCC[C@H]1O 252030585 344883234 /nfs/dbraw/zinc/88/32/34/344883234.db2.gz ZFGMLOANPXQJQQ-QJPTWQEYSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@H]1CCC(C)(C)[C@@H]1O 252017975 344883268 /nfs/dbraw/zinc/88/32/68/344883268.db2.gz WWRDHCQDXLTISZ-GARJFASQSA-N 1 1 199.338 2.266 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@H]1CCC(C)(C)[C@H]1O 252017974 344883283 /nfs/dbraw/zinc/88/32/83/344883283.db2.gz WWRDHCQDXLTISZ-DCAQKATOSA-N 1 1 199.338 2.266 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@H]1CCC(C)(C)[C@H]1N 252003543 344883307 /nfs/dbraw/zinc/88/33/07/344883307.db2.gz WKHZPGANKZOWLG-AXFHLTTASA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@H]1CCC(C)(C)[C@@H]1N 252003545 344883383 /nfs/dbraw/zinc/88/33/83/344883383.db2.gz WKHZPGANKZOWLG-GARJFASQSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@H]1CCC(C)(C)[C@H]1N 252003544 344883528 /nfs/dbraw/zinc/88/35/28/344883528.db2.gz WKHZPGANKZOWLG-DCAQKATOSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@H]1CCCCC[C@H]1O 252030586 344883565 /nfs/dbraw/zinc/88/35/65/344883565.db2.gz ZFGMLOANPXQJQQ-SDDRHHMPSA-N 1 1 199.338 2.410 10 0 AEAEMO CC(C)[C@@H](CN)[N@H+]1CCC[C@H](C)CC1 252092079 344883893 /nfs/dbraw/zinc/88/38/93/344883893.db2.gz DUZSVLVWXGFTDR-NWDGAFQWSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CCC[N@H+](CC(C)(C)[C@H](C)O)C1 252087552 344883895 /nfs/dbraw/zinc/88/38/95/344883895.db2.gz DBLVUWIRMKVHOQ-QWRGUYRKSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)[C@@](C)(CN)[N@H+]1CCCC[C@H]1C 252088245 344884064 /nfs/dbraw/zinc/88/40/64/344884064.db2.gz DDZMWCNKLFFBAN-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]1CCC[N@@H+](CC(C)(C)C)[C@H]1CN 252096817 344884434 /nfs/dbraw/zinc/88/44/34/344884434.db2.gz FOVOFEDWNKWMSS-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1CCC[N@@H+](CC(C)(C)C)[C@H]1CN 252096816 344884598 /nfs/dbraw/zinc/88/45/98/344884598.db2.gz FOVOFEDWNKWMSS-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO CC(=O)[C@H](C)[N@H+]1CC[C@H](C)C[C@@H]1C 252105707 344884951 /nfs/dbraw/zinc/88/49/51/344884951.db2.gz GZGPKWXYLMGWHP-GUBZILKMSA-N 1 1 183.295 2.084 10 0 AEAEMO C[C@H]1CCC[N@H+]([C@H]2CCCC(=O)C2)C1 252108400 344885202 /nfs/dbraw/zinc/88/52/02/344885202.db2.gz HJLRVDNOEYTHLX-QWRGUYRKSA-N 1 1 195.306 2.230 10 0 AEAEMO CN[C@H](C)[C@@H](C)[N@@H+]1CCCCC[C@H]1C 252110520 344885296 /nfs/dbraw/zinc/88/52/96/344885296.db2.gz HRYAXMDFNZGIAG-IJLUTSLNSA-N 1 1 198.354 2.247 10 0 AEAEMO CN[C@H](C)[C@@H](C)[N@H+]1CCCCC[C@H]1C 252110520 344885297 /nfs/dbraw/zinc/88/52/97/344885297.db2.gz HRYAXMDFNZGIAG-IJLUTSLNSA-N 1 1 198.354 2.247 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1[C@H]1CCCC(=O)C1 252107091 344885415 /nfs/dbraw/zinc/88/54/15/344885415.db2.gz HEKYYVPVFUCOBC-MNOVXSKESA-N 1 1 195.306 2.373 10 0 AEAEMO CC(=O)[C@H](C)[N@H+]1CCC[C@H](C)[C@@H]1C 252108441 344885420 /nfs/dbraw/zinc/88/54/20/344885420.db2.gz HKBXDGCFZKDCOE-GUBZILKMSA-N 1 1 183.295 2.084 10 0 AEAEMO C[C@@H]1CCC[N@H+]([C@H]2CCCC(=O)C2)C1 252108177 344885431 /nfs/dbraw/zinc/88/54/31/344885431.db2.gz HJLRVDNOEYTHLX-MNOVXSKESA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCC1=O 252111276 344886011 /nfs/dbraw/zinc/88/60/11/344886011.db2.gz HUDFGMXMIDZVNK-WDEREUQCSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCC1=O 252111274 344886111 /nfs/dbraw/zinc/88/61/11/344886111.db2.gz HUDFGMXMIDZVNK-GHMZBOCLSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(=O)C[C@H](C)[N@H+]1CC[C@H](C)C[C@@H]1C 252119631 344886476 /nfs/dbraw/zinc/88/64/76/344886476.db2.gz JDLYQJICQDVCCC-DCAQKATOSA-N 1 1 197.322 2.474 10 0 AEAEMO C[C@@H]1CCC[N@H+]([C@H]2CCC(=O)C2)CC1 252121429 344886613 /nfs/dbraw/zinc/88/66/13/344886613.db2.gz JKLSFDDPKWTISM-MNOVXSKESA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@H](O)C[C@H](C)[N@H+]1CCCC[C@H]1C 252122225 344886618 /nfs/dbraw/zinc/88/66/18/344886618.db2.gz JNONPYWGXUDCFN-VWYCJHECSA-N 1 1 185.311 2.020 10 0 AEAEMO CC(=O)[C@@H](C)[N@H+]1CCC[C@H](C)CC1 252124807 344886638 /nfs/dbraw/zinc/88/66/38/344886638.db2.gz JXLFWXJVENGTMQ-VHSXEESVSA-N 1 1 183.295 2.086 10 0 AEAEMO C[C@H]1CCC[N@H+]([C@H]2CCC(=O)C2)CC1 252121431 344886669 /nfs/dbraw/zinc/88/66/69/344886669.db2.gz JKLSFDDPKWTISM-QWRGUYRKSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@H](O)C[C@@H](C)[N@H+]1CCCC[C@H]1C 252122224 344886696 /nfs/dbraw/zinc/88/66/96/344886696.db2.gz JNONPYWGXUDCFN-MXWKQRLJSA-N 1 1 185.311 2.020 10 0 AEAEMO CC(C)[C@H](O)C[N@H+]1CCCCC[C@H]1C 252130639 344887005 /nfs/dbraw/zinc/88/70/05/344887005.db2.gz KTFKRXXOCVBBPG-VXGBXAGGSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H]1CCC[N@H+]([C@H]2CCCC2=O)CC1 252130993 344887008 /nfs/dbraw/zinc/88/70/08/344887008.db2.gz KUBJKQXSKSWSIZ-QWRGUYRKSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)[C@H](N)C[N@H+]1CCC[C@H](C)CC1 252131322 344887063 /nfs/dbraw/zinc/88/70/63/344887063.db2.gz KVDDDIQEPUGKSH-NWDGAFQWSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)[C@H]([NH3+])CN1CCC[C@H](C)CC1 252131322 344887064 /nfs/dbraw/zinc/88/70/64/344887064.db2.gz KVDDDIQEPUGKSH-NWDGAFQWSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1CCC[N@H+]([C@H]2CCCC2=O)CC1 252130992 344887272 /nfs/dbraw/zinc/88/72/72/344887272.db2.gz KUBJKQXSKSWSIZ-MNOVXSKESA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)[C@@](C)(CN)[N@H+]1CCC[C@H](C)C1 252128710 344887353 /nfs/dbraw/zinc/88/73/53/344887353.db2.gz KLAWGWLDSMLQAY-NWDGAFQWSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(=O)[C@@H](C)[N@H+]1CCCCC[C@H]1C 252140480 344887720 /nfs/dbraw/zinc/88/77/20/344887720.db2.gz MEQYQBJNUZVZDE-NXEZZACHSA-N 1 1 183.295 2.228 10 0 AEAEMO C[C@@H]1CCC[N@@H+](C[C@H]2CCCC2=O)C1 252157159 344888851 /nfs/dbraw/zinc/88/88/51/344888851.db2.gz NMIBDQSLLQRDIY-GHMZBOCLSA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@H]1CCC[N@@H+](C[C@H]2CCCC2=O)C1 252157160 344888998 /nfs/dbraw/zinc/88/89/98/344888998.db2.gz NMIBDQSLLQRDIY-WDEREUQCSA-N 1 1 195.306 2.088 10 0 AEAEMO CC(=O)C[C@H](C)[N@H+]1CCC[C@H](C)[C@@H]1C 252172844 344889327 /nfs/dbraw/zinc/88/93/27/344889327.db2.gz OIFLLUILCFJVJP-NHCYSSNCSA-N 1 1 197.322 2.474 10 0 AEAEMO C[C@H](O)[C@H](C)[N@H+]1CCCCC[C@H]1C 252173531 344889365 /nfs/dbraw/zinc/88/93/65/344889365.db2.gz OMAUHAJPPQRWQS-VWYCJHECSA-N 1 1 185.311 2.020 10 0 AEAEMO C[C@H]1CCCC[N@@H+]1[C@H]1CCCCNC1 252172327 344889422 /nfs/dbraw/zinc/88/94/22/344889422.db2.gz OFOCAUPIPHAXNG-RYUDHWBXSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@H]1CCCC[N@H+]1[C@H]1CCCCNC1 252172327 344889424 /nfs/dbraw/zinc/88/94/24/344889424.db2.gz OFOCAUPIPHAXNG-RYUDHWBXSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@@H]1CCCC[N@@H+]1[C@H]1CCCCNC1 252172326 344889619 /nfs/dbraw/zinc/88/96/19/344889619.db2.gz OFOCAUPIPHAXNG-NEPJUHHUSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1[C@H]1CCCCNC1 252172326 344889622 /nfs/dbraw/zinc/88/96/22/344889622.db2.gz OFOCAUPIPHAXNG-NEPJUHHUSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@H](O)[C@@H](C)[N@H+]1CCCCC[C@H]1C 252173530 344889735 /nfs/dbraw/zinc/88/97/35/344889735.db2.gz OMAUHAJPPQRWQS-MXWKQRLJSA-N 1 1 185.311 2.020 10 0 AEAEMO C[C@@H]1CCC[N@H+]1CC[C@H]1CCCC1=O 252189855 344890598 /nfs/dbraw/zinc/89/05/98/344890598.db2.gz RKXQSZGPDQHISO-GHMZBOCLSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@H]1CCC[N@H+]1CC[C@H]1CCCC1=O 252189856 344890627 /nfs/dbraw/zinc/89/06/27/344890627.db2.gz RKXQSZGPDQHISO-WDEREUQCSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@H]1C[C@@H](C)C[C@H]([N@@H+]2CCC(=O)C2)C1 252190063 344890742 /nfs/dbraw/zinc/89/07/42/344890742.db2.gz UUWLPZIIDDHDAD-URLYPYJESA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@H]1C[C@@H](C)C[C@H]([N@H+]2CCC(=O)C2)C1 252190063 344890744 /nfs/dbraw/zinc/89/07/44/344890744.db2.gz UUWLPZIIDDHDAD-URLYPYJESA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1[C@H]1CCCC[C@H]1O 252188186 344890798 /nfs/dbraw/zinc/89/07/98/344890798.db2.gz RFDQFDHESCZKEG-GRYCIOLGSA-N 1 1 197.322 2.164 10 0 AEAEMO C[C@H]1CCC[N@H+]1C[C@H]1CCCCC1=O 252200755 344891420 /nfs/dbraw/zinc/89/14/20/344891420.db2.gz TZUYPMSQHMXKFF-WDEREUQCSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)[C@@H](CN)[N@H+]1CCCCC[C@H]1C 252205441 344891554 /nfs/dbraw/zinc/89/15/54/344891554.db2.gz UZZYTTXKBFWVMD-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]1CCC[N@H+]1C[C@H]1CCCCC1=O 252200753 344891661 /nfs/dbraw/zinc/89/16/61/344891661.db2.gz TZUYPMSQHMXKFF-GHMZBOCLSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@H](O)C[C@H](C)[N@H+]1CCC[C@H](C)CC1 252209636 344891999 /nfs/dbraw/zinc/89/19/99/344891999.db2.gz VZDZIBCNGRMZSS-SRVKXCTJSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H]1C[C@@H](C)C[N@H+]([C@H]2CCC(=O)C2)C1 252208587 344892075 /nfs/dbraw/zinc/89/20/75/344892075.db2.gz XPRJEQKLPCONES-AXFHLTTASA-N 1 1 195.306 2.086 10 0 AEAEMO CC(C)[C@@H](CN)[N@H+]1CC[C@@H](C)C[C@H]1C 252207678 344892132 /nfs/dbraw/zinc/89/21/32/344892132.db2.gz VLSRKEYRSMDJTL-IJLUTSLNSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H](O)C[C@@H](C)[N@H+]1CCC[C@H](C)CC1 252209637 344892272 /nfs/dbraw/zinc/89/22/72/344892272.db2.gz VZDZIBCNGRMZSS-TUAOUCFPSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H](O)C(C)(C)C[N@H+]1CCCC[C@H]1C 252213622 344892553 /nfs/dbraw/zinc/89/25/53/344892553.db2.gz XARVRQUYIOQRCI-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)C2)[C@@H]1C 252212460 344892742 /nfs/dbraw/zinc/89/27/42/344892742.db2.gz WSUANGNKAATNGI-MXWKQRLJSA-N 1 1 195.306 2.228 10 0 AEAEMO C[C@H]1[C@H](C)CCC[N@H+]1[C@@H]1CCC(=O)C1 252212462 344892771 /nfs/dbraw/zinc/89/27/71/344892771.db2.gz WSUANGNKAATNGI-OUAUKWLOSA-N 1 1 195.306 2.228 10 0 AEAEMO C[C@H]1[C@H](C)CCC[N@H+]1[C@H]1CCC(=O)C1 252212464 344893012 /nfs/dbraw/zinc/89/30/12/344893012.db2.gz WSUANGNKAATNGI-VWYCJHECSA-N 1 1 195.306 2.228 10 0 AEAEMO C[C@@H]1CCC[C@@H]1[N@H+]1CCC(=O)C[C@H]1C 252220012 344893235 /nfs/dbraw/zinc/89/32/35/344893235.db2.gz YUESDBYIDVQDTR-FOGDFJRCSA-N 1 1 195.306 2.228 10 0 AEAEMO C[C@@H]1CCC[C@H]1[N@H+]1CCC(=O)C[C@H]1C 252220011 344893336 /nfs/dbraw/zinc/89/33/36/344893336.db2.gz YUESDBYIDVQDTR-CKYFFXLPSA-N 1 1 195.306 2.228 10 0 AEAEMO C[C@H](N)[C@@H]([N@H+]1CCC[C@H]1C)C(C)(C)C 252220213 344893352 /nfs/dbraw/zinc/89/33/52/344893352.db2.gz YVQHHZBHSUGOSV-OUAUKWLOSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)[C@H]([NH3+])CN1[C@H](C)CCC[C@H]1C 252217874 344893388 /nfs/dbraw/zinc/89/33/88/344893388.db2.gz YFLLQTGVCWUZIG-IJLUTSLNSA-N 1 1 198.354 2.233 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1[C@H]1CCCC1=O 252222635 344893935 /nfs/dbraw/zinc/89/39/35/344893935.db2.gz ZLSZKNGFDNWSLJ-QWRGUYRKSA-N 1 1 195.306 2.373 10 0 AEAEMO C[C@H](N)[C@H]([N@H+]1CCC[C@H]1C)C(C)(C)C 252220214 344893993 /nfs/dbraw/zinc/89/39/93/344893993.db2.gz YVQHHZBHSUGOSV-VWYCJHECSA-N 1 1 198.354 2.233 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1[C@H]1CCCC1=O 252222634 344894136 /nfs/dbraw/zinc/89/41/36/344894136.db2.gz ZLSZKNGFDNWSLJ-MNOVXSKESA-N 1 1 195.306 2.373 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)[C@H]1CCCC[C@@H]1N 252404072 344894261 /nfs/dbraw/zinc/89/42/61/344894261.db2.gz CGFMTLCMPDTBFV-SRVKXCTJSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)[C@@H]1CCCC[C@H]1N 252404070 344894329 /nfs/dbraw/zinc/89/43/29/344894329.db2.gz CGFMTLCMPDTBFV-QJPTWQEYSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@H]1CCC[N@H+]1[C@H]1CCCCC1=O 252418376 344894799 /nfs/dbraw/zinc/89/47/99/344894799.db2.gz VPIOQFFVAQIYTE-QWRGUYRKSA-N 1 1 195.306 2.373 10 0 AEAEMO C[C@@H]1CCC[N@H+]1[C@H]1CCCCC[C@H]1N 252413854 344894839 /nfs/dbraw/zinc/89/48/39/344894839.db2.gz GEWRPYICQATRRN-UTUOFQBUSA-N 1 1 196.338 2.131 10 0 AEAEMO C[C@@H]1CCC[N@H+]1[C@@H]1CCCCC[C@H]1N 252413853 344894918 /nfs/dbraw/zinc/89/49/18/344894918.db2.gz GEWRPYICQATRRN-IJLUTSLNSA-N 1 1 196.338 2.131 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@H]1CCCCC1=O 252418375 344894965 /nfs/dbraw/zinc/89/49/65/344894965.db2.gz VPIOQFFVAQIYTE-MNOVXSKESA-N 1 1 195.306 2.373 10 0 AEAEMO C[C@@H]1CCC[N@H+]1[C@H]1CCCCC[C@@H]1N 252413855 344894990 /nfs/dbraw/zinc/89/49/90/344894990.db2.gz GEWRPYICQATRRN-WOPDTQHZSA-N 1 1 196.338 2.131 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@@H]1CCCC[C@H]1N 252413549 344895051 /nfs/dbraw/zinc/89/50/51/344895051.db2.gz DVTYOOUILGORNG-IJLUTSLNSA-N 1 1 196.338 2.131 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@H]1CCCC[C@H]1N 252413550 344895076 /nfs/dbraw/zinc/89/50/76/344895076.db2.gz DVTYOOUILGORNG-UTUOFQBUSA-N 1 1 196.338 2.131 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@H]1CCCC[C@@H]1N 252413551 344895145 /nfs/dbraw/zinc/89/51/45/344895145.db2.gz DVTYOOUILGORNG-WOPDTQHZSA-N 1 1 196.338 2.131 10 0 AEAEMO C[C@@H]1CCC[N@H+]([C@H]2CCCCC2=O)C1 252427524 344895439 /nfs/dbraw/zinc/89/54/39/344895439.db2.gz ZODWBUHLIJDQRC-MNOVXSKESA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)[C@H]1CCCCC1=O 252424818 344895454 /nfs/dbraw/zinc/89/54/54/344895454.db2.gz JNRWIWQOZMQDET-QWRGUYRKSA-N 1 1 197.322 2.474 10 0 AEAEMO C[C@H]1CCCC[N@H+]1[C@H]1CCCCC1=O 252425553 344895499 /nfs/dbraw/zinc/89/54/99/344895499.db2.gz OHQGQHKPKPMMIJ-QWRGUYRKSA-N 1 1 195.306 2.373 10 0 AEAEMO C[C@H](C1CC1)[N@@H+](C)[C@H]1CCCCC1=O 252424122 344895505 /nfs/dbraw/zinc/89/55/05/344895505.db2.gz FCOYWYIMZHFNGU-KOLCDFICSA-N 1 1 195.306 2.228 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1[C@H]1CCCC1=O 252424884 344895573 /nfs/dbraw/zinc/89/55/73/344895573.db2.gz JXFPYWNIFGSDTM-MNOVXSKESA-N 1 1 195.306 2.373 10 0 AEAEMO C[C@H]1CCC[N@H+]([C@H]2CCCCC2=O)C1 252427525 344895591 /nfs/dbraw/zinc/89/55/91/344895591.db2.gz ZODWBUHLIJDQRC-QWRGUYRKSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@H]1CCC[N@H+]([C@H](C)C(C)=O)C1 252424679 344895603 /nfs/dbraw/zinc/89/56/03/344895603.db2.gz ISAWORMFVKJLBU-KOLCDFICSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1[C@H]1CCCC1=O 252424885 344895644 /nfs/dbraw/zinc/89/56/44/344895644.db2.gz JXFPYWNIFGSDTM-QWRGUYRKSA-N 1 1 195.306 2.373 10 0 AEAEMO C[C@@H](C1CC1)[N@@H+](C)[C@H]1CCCCC1=O 252424123 344895663 /nfs/dbraw/zinc/89/56/63/344895663.db2.gz FCOYWYIMZHFNGU-ONGXEEELSA-N 1 1 195.306 2.228 10 0 AEAEMO C[C@H]1CCC[N@@H+](CC(C)(C)CO)[C@H]1C 252432673 344895690 /nfs/dbraw/zinc/89/56/90/344895690.db2.gz VTNWUNYFCLONMW-QWRGUYRKSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H]1[C@H](C)CCC[N@H+]1CC(C)(C)CO 252432672 344895776 /nfs/dbraw/zinc/89/57/76/344895776.db2.gz VTNWUNYFCLONMW-MNOVXSKESA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@H]1C[C@H](C)CC[C@H]1N 252437738 344896271 /nfs/dbraw/zinc/89/62/71/344896271.db2.gz XIHABWHRFOWPIH-WRWGMCAJSA-N 1 1 198.354 2.233 10 0 AEAEMO C[C@@H]1[C@@H]([N@H+]2CCC(=O)C2)CCC[C@H]1C 252437335 344896323 /nfs/dbraw/zinc/89/63/23/344896323.db2.gz VEJKUIFNDIFPKO-SCVCMEIPSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@H]1[C@H](C)CCC[C@H]1[N@H+]1CCC(=O)C1 252437334 344896413 /nfs/dbraw/zinc/89/64/13/344896413.db2.gz VEJKUIFNDIFPKO-JFGNBEQYSA-N 1 1 195.306 2.086 10 0 AEAEMO CC(C)[C@@H](C)[N@H+]1CCC(=O)C[C@H]1C 252439267 344896511 /nfs/dbraw/zinc/89/65/11/344896511.db2.gz MLERLFKZVYFSDW-NXEZZACHSA-N 1 1 183.295 2.084 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@H]1C[C@@H](C)CC[C@H]1N 252437737 344896636 /nfs/dbraw/zinc/89/66/36/344896636.db2.gz XIHABWHRFOWPIH-NNYUYHANSA-N 1 1 198.354 2.233 10 0 AEAEMO C[N@@H+](CC(C)(C)C)[C@H]1CCCC[C@H]1O 252440615 344896892 /nfs/dbraw/zinc/89/68/92/344896892.db2.gz FBSSZFNNZAXPPA-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)C[C@@H](C)[N@H+]1CCC(=O)C[C@H]1C 252439906 344897220 /nfs/dbraw/zinc/89/72/20/344897220.db2.gz UOIRHWIDGABSES-GHMZBOCLSA-N 1 1 197.322 2.474 10 0 AEAEMO C[C@@H]1CC(=O)CC[N@@H+]1[C@H](C)CC1CC1 252464021 344898088 /nfs/dbraw/zinc/89/80/88/344898088.db2.gz XXZMAYNHRLHLJW-NXEZZACHSA-N 1 1 195.306 2.228 10 0 AEAEMO CCC[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 252475880 344899378 /nfs/dbraw/zinc/89/93/78/344899378.db2.gz ILYPMRLVQDZQFX-RYUDHWBXSA-N 1 1 197.322 2.023 10 0 AEAEMO CC(C)[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 252475909 344899423 /nfs/dbraw/zinc/89/94/23/344899423.db2.gz LYVXCEJWVKPFFK-NWDGAFQWSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)[C@@H](C)C[N@H+]1CCC(=O)C[C@H]1C 252475506 344899460 /nfs/dbraw/zinc/89/94/60/344899460.db2.gz QFIVJIIUVXNJFN-WDEREUQCSA-N 1 1 197.322 2.332 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCC(=O)[C@H](C)[C@H]1C 252593951 344903746 /nfs/dbraw/zinc/90/37/46/344903746.db2.gz GEUJVVZZPYSHBV-HBNTYKKESA-N 1 1 197.322 2.332 10 0 AEAEMO CCCC[N@H+]1CCC(=O)[C@@H](C)[C@H]1C 252601319 344903991 /nfs/dbraw/zinc/90/39/91/344903991.db2.gz MGRJLJICTOYJGN-VHSXEESVSA-N 1 1 183.295 2.086 10 0 AEAEMO CCCC[N@H+]1CCC(=O)[C@H](C)[C@H]1C 252601318 344904080 /nfs/dbraw/zinc/90/40/80/344904080.db2.gz MGRJLJICTOYJGN-NXEZZACHSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC(C)(C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)[C@H]1C 252596606 344904257 /nfs/dbraw/zinc/90/42/57/344904257.db2.gz IJZCRDYVXOAVIT-AXFHLTTASA-N 1 1 198.354 2.233 10 0 AEAEMO CCC(C)(C)[N@H+]1CC[C@H]([NH3+])[C@H](C)[C@H]1C 252596607 344904353 /nfs/dbraw/zinc/90/43/53/344904353.db2.gz IJZCRDYVXOAVIT-MXWKQRLJSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC(=O)[C@H](C)[C@H]1C 252613357 344904715 /nfs/dbraw/zinc/90/47/15/344904715.db2.gz XEGFAQKQALYUMA-IVZWLZJFSA-N 1 1 183.295 2.084 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC(=O)[C@@H](C)[C@H]1C 252613358 344904884 /nfs/dbraw/zinc/90/48/84/344904884.db2.gz XEGFAQKQALYUMA-LPEHRKFASA-N 1 1 183.295 2.084 10 0 AEAEMO CC[C@H](C)[N@H+]1CCNC[C@H]1C(C)(C)C 252618327 344905242 /nfs/dbraw/zinc/90/52/42/344905242.db2.gz IAIOMRVLISBMCC-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@H](C)NC[C@]1(C)CC 252619708 344905262 /nfs/dbraw/zinc/90/52/62/344905262.db2.gz XRARRXBMMAGLJP-SRVKXCTJSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCNC[C@H]1C(C)(C)C 252618326 344905277 /nfs/dbraw/zinc/90/52/77/344905277.db2.gz IAIOMRVLISBMCC-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@@H](C)NC[C@]1(C)CC 252619709 344905471 /nfs/dbraw/zinc/90/54/71/344905471.db2.gz XRARRXBMMAGLJP-WOPDTQHZSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2O)C1 252726240 344911006 /nfs/dbraw/zinc/91/10/06/344911006.db2.gz RATORCDQLKXHHY-GRYCIOLGSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1CC([N@H+](C)[C@H](C)CN)C[C@H](C)C1 252805779 344914664 /nfs/dbraw/zinc/91/46/64/344914664.db2.gz GFBFSGGKGCPTEV-GMTAPVOTSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H]1C[C@@H](C)C[C@H]([N@H+](C)[C@@H](C)CN)C1 252805781 344914682 /nfs/dbraw/zinc/91/46/82/344914682.db2.gz GFBFSGGKGCPTEV-WHOHXGKFSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@@H]1CCC[C@@](O)(C[N@@H+]2CC[C@H]2C)C1 252818484 344915034 /nfs/dbraw/zinc/91/50/34/344915034.db2.gz ZOBYRMXVHUYLOI-UTUOFQBUSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1C[C@@H](C)C[C@H]([N@H+](C)[C@H](C)CO)C1 252814713 344915069 /nfs/dbraw/zinc/91/50/69/344915069.db2.gz UFFSEMSTNYKKII-KXNHARMFSA-N 1 1 199.338 2.124 10 0 AEAEMO C[C@H]1C[C@@H](C)C[C@H]([N@H+](C)[C@@H](C)CO)C1 252814714 344915179 /nfs/dbraw/zinc/91/51/79/344915179.db2.gz UFFSEMSTNYKKII-WHOHXGKFSA-N 1 1 199.338 2.124 10 0 AEAEMO C[C@H]1CC([N@H+](C)[C@H](C)CO)C[C@H](C)C1 252814712 344915230 /nfs/dbraw/zinc/91/52/30/344915230.db2.gz UFFSEMSTNYKKII-GMTAPVOTSA-N 1 1 199.338 2.124 10 0 AEAEMO CC[C@@H]1CCCCC[N@H+]1[C@H](C)[C@@H](C)O 252844419 344915900 /nfs/dbraw/zinc/91/59/00/344915900.db2.gz FTKUFBIKLBNGRX-IJLUTSLNSA-N 1 1 199.338 2.410 10 0 AEAEMO CC(C)[C@H]1CC[N@H+]([C@H]2CCCC2=O)C1 252846943 344915941 /nfs/dbraw/zinc/91/59/41/344915941.db2.gz FUVUJYRSFIAIRG-QWRGUYRKSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@@H]1CCCCC[N@H+]1[C@@H](C)[C@H](C)O 252844420 344915986 /nfs/dbraw/zinc/91/59/86/344915986.db2.gz FTKUFBIKLBNGRX-SDDRHHMPSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[C@@H]1CCCCC[N@H+]1[C@H](C)[C@H](C)O 252844418 344916033 /nfs/dbraw/zinc/91/60/33/344916033.db2.gz FTKUFBIKLBNGRX-GRYCIOLGSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[C@H]1CC[N@H+]([C@H]2CCCCC2=O)C1 252848333 344916112 /nfs/dbraw/zinc/91/61/12/344916112.db2.gz GNFOIVJLZGNUCC-QWRGUYRKSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)[C@@H]1CC[N@H+]([C@H]2CCCC2=O)C1 252846941 344916140 /nfs/dbraw/zinc/91/61/40/344916140.db2.gz FUVUJYRSFIAIRG-MNOVXSKESA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@@H]1CC[N@H+]([C@H]2CCCCC2=O)C1 252848332 344916161 /nfs/dbraw/zinc/91/61/61/344916161.db2.gz GNFOIVJLZGNUCC-MNOVXSKESA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@H]1CC[N@@H+](C[C@H]2CCCC2=O)C1 252871462 344917254 /nfs/dbraw/zinc/91/72/54/344917254.db2.gz SWWPUMIEUNXOLZ-WDEREUQCSA-N 1 1 195.306 2.088 10 0 AEAEMO CC[C@@H]1CC[N@@H+](C[C@H]2CCCC2=O)C1 252871461 344917352 /nfs/dbraw/zinc/91/73/52/344917352.db2.gz SWWPUMIEUNXOLZ-GHMZBOCLSA-N 1 1 195.306 2.088 10 0 AEAEMO CCC[C@H]1CC[N@H+]([C@H]2CCCC2=O)C1 252868842 344917399 /nfs/dbraw/zinc/91/73/99/344917399.db2.gz RRDOXMAVIOPLPN-QWRGUYRKSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@H](O)C[N@H+]1CCCCC[C@H]1CC 252888887 344917742 /nfs/dbraw/zinc/91/77/42/344917742.db2.gz BUKLKOUUCFLXQJ-NEPJUHHUSA-N 1 1 199.338 2.412 10 0 AEAEMO C[C@@H]1C[N@@H+]([C@H](C)C(C)(C)C)CCC1=O 252896671 344918293 /nfs/dbraw/zinc/91/82/93/344918293.db2.gz BXVAYTCCMAQDAX-NXEZZACHSA-N 1 1 197.322 2.332 10 0 AEAEMO CC1CC([N@H+]2CCC(=O)[C@@H](C)[C@H]2C)C1 252909876 344918575 /nfs/dbraw/zinc/91/85/75/344918575.db2.gz BGUMDGWRXHCROI-LIZLNQBYSA-N 1 1 195.306 2.084 10 0 AEAEMO CC1CC([N@H+]2CCC(=O)[C@H](C)[C@H]2C)C1 252909877 344918653 /nfs/dbraw/zinc/91/86/53/344918653.db2.gz BGUMDGWRXHCROI-WYNUPADASA-N 1 1 195.306 2.084 10 0 AEAEMO C[C@@H](C[N@H+]1CCC(=O)C[C@H]1C)C1CC1 252909577 344918717 /nfs/dbraw/zinc/91/87/17/344918717.db2.gz AHKLKXISNOAGPC-VHSXEESVSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@@H]1C[N@@H+]([C@H](C)C(C)(C)C)CCCN1 252908804 344918736 /nfs/dbraw/zinc/91/87/36/344918736.db2.gz YUTAUFOEGJCCJG-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H]1CC[N@@H+]([C@H](C)C(C)(C)C)CCN1 252899692 344918746 /nfs/dbraw/zinc/91/87/46/344918746.db2.gz HYGNYUYTYZIYDV-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H]1CCN([C@H](C)C(C)(C)C)CC[NH2+]1 252899692 344918747 /nfs/dbraw/zinc/91/87/47/344918747.db2.gz HYGNYUYTYZIYDV-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H]1CC(=O)CC[N@@H+]1[C@H](C)C(C)(C)C 252905492 344918900 /nfs/dbraw/zinc/91/89/00/344918900.db2.gz SCRTWAIXOOCKQY-NXEZZACHSA-N 1 1 197.322 2.474 10 0 AEAEMO CC[C@H]1CN(C2(C)CC2)[C@H](CC)C[NH2+]1 252931722 344919185 /nfs/dbraw/zinc/91/91/85/344919185.db2.gz BNVJDWBYOBRRPI-WDEREUQCSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@H]1C[N@H+](C2(C)CC2)[C@H](CC)CN1 252931721 344919507 /nfs/dbraw/zinc/91/95/07/344919507.db2.gz BNVJDWBYOBRRPI-GHMZBOCLSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@H]1CN(C2(C)CC2)[C@H](CC)C[NH2+]1 252931721 344919510 /nfs/dbraw/zinc/91/95/10/344919510.db2.gz BNVJDWBYOBRRPI-GHMZBOCLSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[NH2+][C@H]1CCN(C2(C)CC2)[C@H](C)C1 252934425 344919824 /nfs/dbraw/zinc/91/98/24/344919824.db2.gz DQAHBZUJOBVNIN-MNOVXSKESA-N 1 1 196.338 2.001 10 0 AEAEMO CC[NH2+][C@@H]1CCN(C2(C)CC2)[C@H](C)C1 252934424 344919971 /nfs/dbraw/zinc/91/99/71/344919971.db2.gz DQAHBZUJOBVNIN-GHMZBOCLSA-N 1 1 196.338 2.001 10 0 AEAEMO C[N@@H+](C1CCC1)[C@@H]1CCCCC[C@H]1O 252982873 344923898 /nfs/dbraw/zinc/92/38/98/344923898.db2.gz YHYXUCQLSKPTSZ-VXGBXAGGSA-N 1 1 197.322 2.164 10 0 AEAEMO C[N@@H+](C1CCC1)[C@H]1CCCCC[C@H]1O 252982872 344924026 /nfs/dbraw/zinc/92/40/26/344924026.db2.gz YHYXUCQLSKPTSZ-NWDGAFQWSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[C@H](C)[C@@]1(O)C[C@H](C)[N@H+](C2CC2)C1 253016725 344924184 /nfs/dbraw/zinc/92/41/84/344924184.db2.gz HKYKNZXXOZJOMT-JBLDHEPKSA-N 1 1 197.322 2.020 10 0 AEAEMO CC[C@H](C)[C@]1(O)C[C@H](C)[N@H+](C2CC2)C1 253016727 344924410 /nfs/dbraw/zinc/92/44/10/344924410.db2.gz HKYKNZXXOZJOMT-NHCYSSNCSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@H]1C[C@@H](C)C[N@H+]1[C@H](CN)C(C)(C)C 253071775 344925733 /nfs/dbraw/zinc/92/57/33/344925733.db2.gz NMDUGZMVFSBQFI-OUAUKWLOSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@@H]1C[C@@H](C)[N@H+]([C@H](CN)C(C)(C)C)C1 253071774 344926052 /nfs/dbraw/zinc/92/60/52/344926052.db2.gz NMDUGZMVFSBQFI-GMTAPVOTSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C)C1 253078837 344926559 /nfs/dbraw/zinc/92/65/59/344926559.db2.gz UCFBUGQHKVCDSY-WYUUTHIRSA-N 1 1 199.338 2.124 10 0 AEAEMO C[C@H]1C[C@@H](C)C[N@H+]1[C@H]1CCC[C@H](O)C1 253080400 344926585 /nfs/dbraw/zinc/92/65/85/344926585.db2.gz VKWAMHUAMQEJKF-RHYQMDGZSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@H]1C[C@@H](C)C[N@H+]1[C@H]1CCC[C@@H](O)C1 253080399 344926802 /nfs/dbraw/zinc/92/68/02/344926802.db2.gz VKWAMHUAMQEJKF-NOOOWODRSA-N 1 1 197.322 2.020 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C)C1 253078836 344926857 /nfs/dbraw/zinc/92/68/57/344926857.db2.gz UCFBUGQHKVCDSY-BJDJZHNGSA-N 1 1 199.338 2.124 10 0 AEAEMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 253104730 344926968 /nfs/dbraw/zinc/92/69/68/344926968.db2.gz ZPFQLFZNHSNJHV-UTUOFQBUSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@](C)(N)C[N@H+]1CC[C@@H](C)[C@H](C)C1 253084310 344927172 /nfs/dbraw/zinc/92/71/72/344927172.db2.gz YQBGOOGZDZAQGX-UTUOFQBUSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@](C)([NH3+])CN1CC[C@@H](C)[C@H](C)C1 253084310 344927173 /nfs/dbraw/zinc/92/71/73/344927173.db2.gz YQBGOOGZDZAQGX-UTUOFQBUSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 253104728 344927192 /nfs/dbraw/zinc/92/71/92/344927192.db2.gz ZPFQLFZNHSNJHV-QJPTWQEYSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O 253104725 344927286 /nfs/dbraw/zinc/92/72/86/344927286.db2.gz ZPFQLFZNHSNJHV-IJLUTSLNSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@](C)(N)C[N@H+]1CC[C@H](C)[C@@H](C)C1 253084309 344927294 /nfs/dbraw/zinc/92/72/94/344927294.db2.gz YQBGOOGZDZAQGX-SRVKXCTJSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@](C)([NH3+])CN1CC[C@H](C)[C@@H](C)C1 253084309 344927295 /nfs/dbraw/zinc/92/72/95/344927295.db2.gz YQBGOOGZDZAQGX-SRVKXCTJSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](C)[N@H+]1CCCCC[C@H]1CO 253187479 344930296 /nfs/dbraw/zinc/93/02/96/344930296.db2.gz YLRLSYMOENECNT-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCCCC[C@H]1CO 253187478 344930313 /nfs/dbraw/zinc/93/03/13/344930313.db2.gz YLRLSYMOENECNT-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@@H]1C[N@H+](C2CCCC2)CC[C@H]1O 253260629 344932120 /nfs/dbraw/zinc/93/21/20/344932120.db2.gz HWTQMHCYLULMKP-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H]1C[N@H+](C2CCCC2)CC[C@H]1O 253260628 344932227 /nfs/dbraw/zinc/93/22/27/344932227.db2.gz HWTQMHCYLULMKP-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@](C)(O)C[N@H+]1C[C@H](C)CC[C@H]1C 253290324 344932435 /nfs/dbraw/zinc/93/24/35/344932435.db2.gz PQXLIJHNCMRCEI-UTUOFQBUSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@](C)(O)C[N@H+]1C[C@H](C)CC[C@@H]1C 253290325 344932741 /nfs/dbraw/zinc/93/27/41/344932741.db2.gz PQXLIJHNCMRCEI-WOPDTQHZSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@](C)(O)C[N@H+]1C[C@@H](C)CC[C@H]1C 253290323 344932843 /nfs/dbraw/zinc/93/28/43/344932843.db2.gz PQXLIJHNCMRCEI-TUAOUCFPSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@](C)(O)C[N@H+]1CCCCC[C@H]1C 253310988 344933497 /nfs/dbraw/zinc/93/34/97/344933497.db2.gz UUANWAOPSAJWPG-NEPJUHHUSA-N 1 1 199.338 2.412 10 0 AEAEMO CC[C@@](C)(O)C[N@H+]1CCCCC[C@H]1C 253310989 344933557 /nfs/dbraw/zinc/93/35/57/344933557.db2.gz UUANWAOPSAJWPG-VXGBXAGGSA-N 1 1 199.338 2.412 10 0 AEAEMO C[C@H]1C[C@H]2[C@H](C1)C[C@H]1CCC[N@@H+]21 256604768 344940811 /nfs/dbraw/zinc/94/08/11/344940811.db2.gz WDRAMSRDAZZPJE-DBIOUOCHSA-N 1 1 165.280 2.269 10 0 AEAEMO C[C@H]1C[C@H]2[C@@H](C[C@@H]3CCC[N@H+]32)C1 256604773 344940877 /nfs/dbraw/zinc/94/08/77/344940877.db2.gz WDRAMSRDAZZPJE-ZNSHCXBVSA-N 1 1 165.280 2.269 10 0 AEAEMO C[C@@H]1C[C@@H]2C[C@H]3CCC[N@H+]3[C@@H]2C1 256604770 344941006 /nfs/dbraw/zinc/94/10/06/344941006.db2.gz WDRAMSRDAZZPJE-GWOFURMSSA-N 1 1 165.280 2.269 10 0 AEAEMO C[C@@H]1CC[C@@H]2C[C@@H]3CCC[N@H+]3[C@H]12 257354665 344941821 /nfs/dbraw/zinc/94/18/21/344941821.db2.gz ZCPZOFXJOYHUJW-CHWFTXMASA-N 1 1 165.280 2.269 10 0 AEAEMO C[C@@H]1CC[C@@H]2C[C@H]3CCC[N@H+]3[C@@H]12 257354666 344941842 /nfs/dbraw/zinc/94/18/42/344941842.db2.gz ZCPZOFXJOYHUJW-DBIOUOCHSA-N 1 1 165.280 2.269 10 0 AEAEMO CC1(C)[C@@H](O)CC[N@H+]1CC1CCCC1 258910009 344946154 /nfs/dbraw/zinc/94/61/54/344946154.db2.gz VSGVJPYLOPKNHW-NSHDSACASA-N 1 1 197.322 2.022 10 0 AEAEMO CC[N@@H+](C)Cc1cc(F)ccc1OC 259027251 344946756 /nfs/dbraw/zinc/94/67/56/344946756.db2.gz HSYVOBCBZRSZFH-UHFFFAOYSA-N 1 1 197.253 2.286 10 0 AEAEMO CC[N@@H+](C)Cc1ccc2c(c1)CCO2 259010327 344946889 /nfs/dbraw/zinc/94/68/89/344946889.db2.gz GBHMMMNIQICVLG-UHFFFAOYSA-N 1 1 191.274 2.073 10 0 AEAEMO CC[N@@H+](C)Cc1cc(F)ccc1F 259172552 344947366 /nfs/dbraw/zinc/94/73/66/344947366.db2.gz UQYNKWYRZJKODY-UHFFFAOYSA-N 1 1 185.217 2.417 10 0 AEAEMO CC[N@@H+](C)Cc1ccc(C)o1 259084561 344947613 /nfs/dbraw/zinc/94/76/13/344947613.db2.gz MZPNBPNKAQDMCO-UHFFFAOYSA-N 1 1 153.225 2.040 10 0 AEAEMO Cc1ccc(C[N@H+](C)C(C)C)o1 260179714 344952610 /nfs/dbraw/zinc/95/26/10/344952610.db2.gz SIPDINGGQKNQDF-UHFFFAOYSA-N 1 1 167.252 2.428 10 0 AEAEMO C[C@@H]1CC[N@@H+](CC(C)(C)C)[C@H](CN)C1 300041219 344964456 /nfs/dbraw/zinc/96/44/56/344964456.db2.gz WXEWOSQSQHLMPL-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1CCN(CC(C)(C)C)[C@H](C[NH3+])C1 300041219 344964459 /nfs/dbraw/zinc/96/44/59/344964459.db2.gz WXEWOSQSQHLMPL-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CC[N@@H+](CC(C)(C)C)[C@H](CN)C1 300041220 344964528 /nfs/dbraw/zinc/96/45/28/344964528.db2.gz WXEWOSQSQHLMPL-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CCN(CC(C)(C)C)[C@H](C[NH3+])C1 300041220 344964532 /nfs/dbraw/zinc/96/45/32/344964532.db2.gz WXEWOSQSQHLMPL-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[C@H](C)[C@]1(O)CC[N@@H+](C)[C@H](C)C1 300343477 344974610 /nfs/dbraw/zinc/97/46/10/344974610.db2.gz ARVGLBVOBKWTTB-TUAOUCFPSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H](C)[C@@]1(O)CC[N@@H+](C)[C@H](C)C1 300343474 344974748 /nfs/dbraw/zinc/97/47/48/344974748.db2.gz ARVGLBVOBKWTTB-QJPTWQEYSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@@H]1C[C@@H]1Nc1ccc[nH+]c1N 300373136 344978495 /nfs/dbraw/zinc/97/84/95/344978495.db2.gz AGRYEAYQDYPHIU-SCZZXKLOSA-N 1 1 191.278 2.264 10 0 AEAEMO C[C@@H]1CCC[N@H+]1[C@@H]1CCCC[C@H]1CO 300402716 344982670 /nfs/dbraw/zinc/98/26/70/344982670.db2.gz QFILKGFBRXIXOV-GRYCIOLGSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1CCC[N@H+]1[C@H]1CCCC[C@@H]1CO 300402717 344982760 /nfs/dbraw/zinc/98/27/60/344982760.db2.gz QFILKGFBRXIXOV-UTUOFQBUSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1CCC[N@H+]1[C@H]1CCCC[C@H]1CO 300402718 344982825 /nfs/dbraw/zinc/98/28/25/344982825.db2.gz QFILKGFBRXIXOV-WOPDTQHZSA-N 1 1 197.322 2.022 10 0 AEAEMO NC1=[NH+][C@@H](C2CCCCCCC2)CO1 300803173 344999834 /nfs/dbraw/zinc/99/98/34/344999834.db2.gz FJNLXQDDUMSTAR-SNVBAGLBSA-N 1 1 196.294 2.060 10 0 AEAEMO CC[N@H+](C(C)C)[C@@H]1CCNCC1(C)C 300803248 344999955 /nfs/dbraw/zinc/99/99/55/344999955.db2.gz FUQALLYRWLZGJS-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@@H+](C(C)C)[C@@H]1CCNCC1(C)C 300803248 344999958 /nfs/dbraw/zinc/99/99/58/344999958.db2.gz FUQALLYRWLZGJS-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@H+](C(C)C)[C@H]1CCNCC1(C)C 300803251 345000054 /nfs/dbraw/zinc/00/00/54/345000054.db2.gz FUQALLYRWLZGJS-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@@H+](C(C)C)[C@H]1CCNCC1(C)C 300803251 345000057 /nfs/dbraw/zinc/00/00/57/345000057.db2.gz FUQALLYRWLZGJS-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO NC1=[NH+][C@H](C2CCCCCCC2)CO1 300803170 345000084 /nfs/dbraw/zinc/00/00/84/345000084.db2.gz FJNLXQDDUMSTAR-JTQLQIEISA-N 1 1 196.294 2.060 10 0 AEAEMO CC[C@H]1CC[N@@H+](Cc2cncs2)C1 306148866 345037792 /nfs/dbraw/zinc/03/77/92/345037792.db2.gz CVYCWXAWJMLXDH-VIFPVBQESA-N 1 1 196.319 2.375 10 0 AEAEMO CC1(C)CCC[N@@H+](CCF)CC1 306151681 345041572 /nfs/dbraw/zinc/04/15/72/345041572.db2.gz GQWLTRTYTYYNID-UHFFFAOYSA-N 1 1 173.275 2.468 10 0 AEAEMO CC1=CC[N@@H+](Cc2cncs2)CC1 306152101 345042180 /nfs/dbraw/zinc/04/21/80/345042180.db2.gz CBPDPQGZYRUXEE-UHFFFAOYSA-N 1 1 194.303 2.295 10 0 AEAEMO C[C@H]1CC[C@@H](C)[N@H+](CC(F)F)C1 306153832 345044059 /nfs/dbraw/zinc/04/40/59/345044059.db2.gz BBMSIEYJZZXAIQ-JGVFFNPUSA-N 1 1 177.238 2.372 10 0 AEAEMO C[C@H]1CC[C@@H](C)[N@@H+](CC(F)F)C1 306153832 345044064 /nfs/dbraw/zinc/04/40/64/345044064.db2.gz BBMSIEYJZZXAIQ-JGVFFNPUSA-N 1 1 177.238 2.372 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@H+](C(C)(C)CN)C1 306153848 345044106 /nfs/dbraw/zinc/04/41/06/345044106.db2.gz AFKAZPPFVWUFHD-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]1CC[C@H](C)[N@H+](CC(F)F)C1 306153840 345044188 /nfs/dbraw/zinc/04/41/88/345044188.db2.gz BBMSIEYJZZXAIQ-YUMQZZPRSA-N 1 1 177.238 2.372 10 0 AEAEMO C[C@H]1CC[C@H](C)[N@@H+](CC(F)F)C1 306153840 345044192 /nfs/dbraw/zinc/04/41/92/345044192.db2.gz BBMSIEYJZZXAIQ-YUMQZZPRSA-N 1 1 177.238 2.372 10 0 AEAEMO C[C@@H]1CC[C@@H](C)[N@H+](CC(F)F)C1 306153827 345044363 /nfs/dbraw/zinc/04/43/63/345044363.db2.gz BBMSIEYJZZXAIQ-HTQZYQBOSA-N 1 1 177.238 2.372 10 0 AEAEMO C[C@@H]1CC[C@@H](C)[N@@H+](CC(F)F)C1 306153827 345044366 /nfs/dbraw/zinc/04/43/66/345044366.db2.gz BBMSIEYJZZXAIQ-HTQZYQBOSA-N 1 1 177.238 2.372 10 0 AEAEMO C[C@H]1CC[C@@H](C)C[N@H+]1CC(F)F 306153836 345044471 /nfs/dbraw/zinc/04/44/71/345044471.db2.gz BBMSIEYJZZXAIQ-SFYZADRCSA-N 1 1 177.238 2.372 10 0 AEAEMO C[C@H]1CC[C@@H](C)C[N@@H+]1CC(F)F 306153836 345044473 /nfs/dbraw/zinc/04/44/73/345044473.db2.gz BBMSIEYJZZXAIQ-SFYZADRCSA-N 1 1 177.238 2.372 10 0 AEAEMO C[C@H]1CCc2nc[nH]c2[C@@H]1C 306157489 345047633 /nfs/dbraw/zinc/04/76/33/345047633.db2.gz CAYVBCYNIQMWRY-NKWVEPMBSA-N 1 1 150.225 2.096 10 0 AEAEMO C[C@H]1CCc2[nH]c[nH+]c2[C@@H]1C 306157489 345047637 /nfs/dbraw/zinc/04/76/37/345047637.db2.gz CAYVBCYNIQMWRY-NKWVEPMBSA-N 1 1 150.225 2.096 10 0 AEAEMO C[C@H]1CCc2[nH+]c[nH]c2[C@@H]1C 306157489 345047640 /nfs/dbraw/zinc/04/76/40/345047640.db2.gz CAYVBCYNIQMWRY-NKWVEPMBSA-N 1 1 150.225 2.096 10 0 AEAEMO C[C@H]1CCc2nc[nH]c2[C@H]1C 306157488 345047762 /nfs/dbraw/zinc/04/77/62/345047762.db2.gz CAYVBCYNIQMWRY-BQBZGAKWSA-N 1 1 150.225 2.096 10 0 AEAEMO C[C@H]1CCc2[nH]c[nH+]c2[C@H]1C 306157488 345047764 /nfs/dbraw/zinc/04/77/64/345047764.db2.gz CAYVBCYNIQMWRY-BQBZGAKWSA-N 1 1 150.225 2.096 10 0 AEAEMO C[C@H]1CCc2[nH+]c[nH]c2[C@H]1C 306157488 345047767 /nfs/dbraw/zinc/04/77/67/345047767.db2.gz CAYVBCYNIQMWRY-BQBZGAKWSA-N 1 1 150.225 2.096 10 0 AEAEMO C1C[C@@H]2C[C@@H]2[N@@H+](C[C@@H]2CCSC2)C1 306157128 345047771 /nfs/dbraw/zinc/04/77/71/345047771.db2.gz DCLJEBYXWNLIHF-AXFHLTTASA-N 1 1 197.347 2.224 10 0 AEAEMO C1C[C@@H]2C[C@@H]2[N@@H+](C[C@H]2CCSC2)C1 306157129 345047793 /nfs/dbraw/zinc/04/77/93/345047793.db2.gz DCLJEBYXWNLIHF-MXWKQRLJSA-N 1 1 197.347 2.224 10 0 AEAEMO C[C@@H]1CCc2nc[nH]c2[C@@H]1C 306157490 345047944 /nfs/dbraw/zinc/04/79/44/345047944.db2.gz CAYVBCYNIQMWRY-RNFRBKRXSA-N 1 1 150.225 2.096 10 0 AEAEMO C[C@@H]1CCc2[nH]c[nH+]c2[C@@H]1C 306157490 345047946 /nfs/dbraw/zinc/04/79/46/345047946.db2.gz CAYVBCYNIQMWRY-RNFRBKRXSA-N 1 1 150.225 2.096 10 0 AEAEMO C[C@@H]1CCc2[nH+]c[nH]c2[C@@H]1C 306157490 345047947 /nfs/dbraw/zinc/04/79/47/345047947.db2.gz CAYVBCYNIQMWRY-RNFRBKRXSA-N 1 1 150.225 2.096 10 0 AEAEMO C[C@@H]1c2[nH]cnc2CC[C@H]1C 306157491 345048004 /nfs/dbraw/zinc/04/80/04/345048004.db2.gz CAYVBCYNIQMWRY-RQJHMYQMSA-N 1 1 150.225 2.096 10 0 AEAEMO C[C@@H]1c2[nH+]c[nH]c2CC[C@H]1C 306157491 345048006 /nfs/dbraw/zinc/04/80/06/345048006.db2.gz CAYVBCYNIQMWRY-RQJHMYQMSA-N 1 1 150.225 2.096 10 0 AEAEMO C[C@@H]1c2[nH]c[nH+]c2CC[C@H]1C 306157491 345048008 /nfs/dbraw/zinc/04/80/08/345048008.db2.gz CAYVBCYNIQMWRY-RQJHMYQMSA-N 1 1 150.225 2.096 10 0 AEAEMO C[C@@H]([NH2+]N1CCCCC1)C1CCC1 306158212 345048186 /nfs/dbraw/zinc/04/81/86/345048186.db2.gz DROITRZZUZXWBJ-SNVBAGLBSA-N 1 1 182.311 2.166 10 0 AEAEMO C[C@H]([NH2+]N1CCCCC1)C1CCC1 306158211 345048380 /nfs/dbraw/zinc/04/83/80/345048380.db2.gz DROITRZZUZXWBJ-JTQLQIEISA-N 1 1 182.311 2.166 10 0 AEAEMO CC(C)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F 306158749 345048910 /nfs/dbraw/zinc/04/89/10/345048910.db2.gz CNKNWMZFMUGVMI-BDAKNGLRSA-N 1 1 189.249 2.372 10 0 AEAEMO CC[C@@H]1CC[N@H+]1Cc1ccco1 306161239 345052340 /nfs/dbraw/zinc/05/23/40/345052340.db2.gz DSTAZYYBIHKSSK-SECBINFHSA-N 1 1 165.236 2.264 10 0 AEAEMO CC[C@H]1CC[N@H+]1Cc1ccco1 306161243 345052502 /nfs/dbraw/zinc/05/25/02/345052502.db2.gz DSTAZYYBIHKSSK-VIFPVBQESA-N 1 1 165.236 2.264 10 0 AEAEMO CC1(C)CCC[N@H+]1Cc1cocn1 306164244 345055187 /nfs/dbraw/zinc/05/51/87/345055187.db2.gz SEFVHASPPJSENU-UHFFFAOYSA-N 1 1 180.251 2.049 10 0 AEAEMO Cc1occc1[C@H]1[NH2+][C@H](C)CS1 306164349 345055274 /nfs/dbraw/zinc/05/52/74/345055274.db2.gz OWXOJTYWTOXSGZ-MUWHJKNJSA-N 1 1 183.276 2.312 10 0 AEAEMO Cc1occc1[C@@H]1[NH2+][C@H](C)CS1 306164343 345055428 /nfs/dbraw/zinc/05/54/28/345055428.db2.gz OWXOJTYWTOXSGZ-HZGVNTEJSA-N 1 1 183.276 2.312 10 0 AEAEMO Cc1occc1[C@H]1[NH2+][C@@H](C)CS1 306164351 345055434 /nfs/dbraw/zinc/05/54/34/345055434.db2.gz OWXOJTYWTOXSGZ-RCOVLWMOSA-N 1 1 183.276 2.312 10 0 AEAEMO Cc1occc1[C@@H]1[NH2+][C@@H](C)CS1 306164346 345055506 /nfs/dbraw/zinc/05/55/06/345055506.db2.gz OWXOJTYWTOXSGZ-IMTBSYHQSA-N 1 1 183.276 2.312 10 0 AEAEMO C[C@@H]1C[N@@H+](CC(C)(C)C)CCS1 306164986 345056082 /nfs/dbraw/zinc/05/60/82/345056082.db2.gz OQKGBIBGLPGBTC-SECBINFHSA-N 1 1 187.352 2.470 10 0 AEAEMO C[C@H]1C[N@@H+](CC(C)(C)C)CCS1 306164987 345056100 /nfs/dbraw/zinc/05/61/00/345056100.db2.gz OQKGBIBGLPGBTC-VIFPVBQESA-N 1 1 187.352 2.470 10 0 AEAEMO CC[N@H+](C)Cc1ccncc1Cl 306165019 345056171 /nfs/dbraw/zinc/05/61/71/345056171.db2.gz OSNVLDBGVVWFHI-UHFFFAOYSA-N 1 1 184.670 2.187 10 0 AEAEMO CC[N@@H+](C)Cc1ccncc1Cl 306165019 345056172 /nfs/dbraw/zinc/05/61/72/345056172.db2.gz OSNVLDBGVVWFHI-UHFFFAOYSA-N 1 1 184.670 2.187 10 0 AEAEMO C[C@@H](CO)[N@@H+](C)C1CCC(C)(C)CC1 306168212 345059231 /nfs/dbraw/zinc/05/92/31/345059231.db2.gz VWDZZAPLKDMODP-JTQLQIEISA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H]1CCC[N@@H+](Cc2cncs2)C1 306170003 345061745 /nfs/dbraw/zinc/06/17/45/345061745.db2.gz YQNCZTJJFMQXPM-VIFPVBQESA-N 1 1 196.319 2.375 10 0 AEAEMO CC1(C)CCC[N@H+]1C1CCOCC1 306170731 345062042 /nfs/dbraw/zinc/06/20/42/345062042.db2.gz XPWRERGDVLZNEU-UHFFFAOYSA-N 1 1 183.295 2.040 10 0 AEAEMO C[N@@H+](C1CC1)C1CC(C(F)F)C1 306172416 345064007 /nfs/dbraw/zinc/06/40/07/345064007.db2.gz SORCSOOVMQCGNF-UHFFFAOYSA-N 1 1 175.222 2.124 10 0 AEAEMO Nc1cc(Cl)ccc1C[NH+]1CCC1 306175637 345066057 /nfs/dbraw/zinc/06/60/57/345066057.db2.gz XCNHDLPQGLVMSH-UHFFFAOYSA-N 1 1 196.681 2.128 10 0 AEAEMO FC(F)(F)[C@@H]1CC[N@H+](C2CCC2)C1 306175730 345066458 /nfs/dbraw/zinc/06/64/58/345066458.db2.gz NEZMWRVKYYSMAA-SSDOTTSWSA-N 1 1 193.212 2.423 10 0 AEAEMO FC(F)(F)[C@H]1CC[N@H+](C2CCC2)C1 306175734 345066506 /nfs/dbraw/zinc/06/65/06/345066506.db2.gz NEZMWRVKYYSMAA-ZETCQYMHSA-N 1 1 193.212 2.423 10 0 AEAEMO C[C@H]1CC(=O)CC[N@H+]1[C@@H]1CCC1(C)C 306178094 345068747 /nfs/dbraw/zinc/06/87/47/345068747.db2.gz GSDWMIFPMCNBDM-GXSJLCMTSA-N 1 1 195.306 2.228 10 0 AEAEMO C[C@@H]1CC(=O)CC[N@H+]1[C@H]1CCC1(C)C 306178095 345068927 /nfs/dbraw/zinc/06/89/27/345068927.db2.gz GSDWMIFPMCNBDM-KOLCDFICSA-N 1 1 195.306 2.228 10 0 AEAEMO C[C@@H]1CC(=O)CC[N@H+]1[C@@H]1CCC1(C)C 306178096 345068942 /nfs/dbraw/zinc/06/89/42/345068942.db2.gz GSDWMIFPMCNBDM-MWLCHTKSSA-N 1 1 195.306 2.228 10 0 AEAEMO C[C@H]1CC(=O)CC[N@H+]1[C@H]1CCC1(C)C 306178097 345069055 /nfs/dbraw/zinc/06/90/55/345069055.db2.gz GSDWMIFPMCNBDM-ONGXEEELSA-N 1 1 195.306 2.228 10 0 AEAEMO CCC[N@H+]1CC[C@@](O)(C2CCCC2)C1 306179448 345070880 /nfs/dbraw/zinc/07/08/80/345070880.db2.gz IDZXQMOXDFXGGV-LBPRGKRZSA-N 1 1 197.322 2.023 10 0 AEAEMO CCC[N@H+]1CC[C@](O)(C2CCCC2)C1 306179447 345070995 /nfs/dbraw/zinc/07/09/95/345070995.db2.gz IDZXQMOXDFXGGV-GFCCVEGCSA-N 1 1 197.322 2.023 10 0 AEAEMO CCCC[N@H+]1CCC[C@@H]2C[C@@H]21 306182422 345073543 /nfs/dbraw/zinc/07/35/43/345073543.db2.gz XKZCLMURNUNLNF-ZJUUUORDSA-N 1 1 153.269 2.271 10 0 AEAEMO CC[C@H]1CC[N@H+](C2CCC2)C1 306184019 345075192 /nfs/dbraw/zinc/07/51/92/345075192.db2.gz LEOVPJBPCUREOE-VIFPVBQESA-N 1 1 153.269 2.271 10 0 AEAEMO C[C@@H](C1CCC1)[N@@H+](C)[C@@H]1CCC(=O)C1 306185408 345075570 /nfs/dbraw/zinc/07/55/70/345075570.db2.gz ADBSFJSNOGHCIL-GXSJLCMTSA-N 1 1 195.306 2.228 10 0 AEAEMO CNC1(C[N@H+]2CCCC[C@@H]2C)CCC1 306185392 345075584 /nfs/dbraw/zinc/07/55/84/345075584.db2.gz ABLYVJJHNYFLQY-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CNC1(C[N@H+]2CCCC[C@H]2C)CCC1 306185391 345075600 /nfs/dbraw/zinc/07/56/00/345075600.db2.gz ABLYVJJHNYFLQY-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@@H](C1CCC1)[N@@H+](C)[C@@H]1CCC[C@H]1O 306184474 345075609 /nfs/dbraw/zinc/07/56/09/345075609.db2.gz PSDKBPSASOEZHQ-MVWJERBFSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@H](C1CCC1)[N@@H+](C)[C@H]1CCC(=O)C1 306185409 345075756 /nfs/dbraw/zinc/07/57/56/345075756.db2.gz ADBSFJSNOGHCIL-KOLCDFICSA-N 1 1 195.306 2.228 10 0 AEAEMO C[C@H](C1CCC1)[N@@H+](C)[C@@H]1CCC[C@H]1O 306184476 345075805 /nfs/dbraw/zinc/07/58/05/345075805.db2.gz PSDKBPSASOEZHQ-YUSALJHKSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@@H](C1CCC1)[N@@H+](C)[C@H]1CCC(=O)C1 306185411 345075783 /nfs/dbraw/zinc/07/57/83/345075783.db2.gz ADBSFJSNOGHCIL-ONGXEEELSA-N 1 1 195.306 2.228 10 0 AEAEMO C[C@H](C1CCC1)[N@@H+](C)[C@@H]1CCC(=O)C1 306185410 345075800 /nfs/dbraw/zinc/07/58/00/345075800.db2.gz ADBSFJSNOGHCIL-MWLCHTKSSA-N 1 1 195.306 2.228 10 0 AEAEMO COCC[N@H+]1CCCCC(C)(C)C1 306187636 345078042 /nfs/dbraw/zinc/07/80/42/345078042.db2.gz AHDJENBBKYXFMC-UHFFFAOYSA-N 1 1 185.311 2.145 10 0 AEAEMO CC[C@H]1CC[C@H](C)[N@@H+](CC(C)(C)N)C1 306188237 345078224 /nfs/dbraw/zinc/07/82/24/345078224.db2.gz CLGZHMAIBPJIOG-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]1CC[C@H](C)N(CC(C)(C)[NH3+])C1 306188237 345078227 /nfs/dbraw/zinc/07/82/27/345078227.db2.gz CLGZHMAIBPJIOG-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]1CC[C@@H](C)[N@@H+](CC(C)(C)N)C1 306188234 345078528 /nfs/dbraw/zinc/07/85/28/345078528.db2.gz CLGZHMAIBPJIOG-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]1CC[C@@H](C)N(CC(C)(C)[NH3+])C1 306188234 345078531 /nfs/dbraw/zinc/07/85/31/345078531.db2.gz CLGZHMAIBPJIOG-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CC[C@@H](C)[N@@H+](CC(C)(C)N)C1 306188231 345078628 /nfs/dbraw/zinc/07/86/28/345078628.db2.gz CLGZHMAIBPJIOG-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CC[C@@H](C)N(CC(C)(C)[NH3+])C1 306188231 345078630 /nfs/dbraw/zinc/07/86/30/345078630.db2.gz CLGZHMAIBPJIOG-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@@H+](CC(C)(C)N)C1 306188239 345078685 /nfs/dbraw/zinc/07/86/85/345078685.db2.gz CLGZHMAIBPJIOG-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]1CC[C@H](C)N(CC(C)(C)[NH3+])C1 306188239 345078686 /nfs/dbraw/zinc/07/86/86/345078686.db2.gz CLGZHMAIBPJIOG-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO Nc1ccc(C[NH+]2CCC2)c(Cl)c1 306193592 345083515 /nfs/dbraw/zinc/08/35/15/345083515.db2.gz FGCWGXURLLLWIQ-UHFFFAOYSA-N 1 1 196.681 2.128 10 0 AEAEMO C[NH2+][C@]1(C(F)F)CCC1(C)C 306199223 345088148 /nfs/dbraw/zinc/08/81/48/345088148.db2.gz RVWIESFADKARLT-QMMMGPOBSA-N 1 1 163.211 2.030 10 0 AEAEMO C[NH2+][C@@]1(C(F)F)CCC1(C)C 306199222 345088187 /nfs/dbraw/zinc/08/81/87/345088187.db2.gz RVWIESFADKARLT-MRVPVSSYSA-N 1 1 163.211 2.030 10 0 AEAEMO CC[N@H+]1CC[C@@](O)(CC2CCCC2)C1 306204297 345093091 /nfs/dbraw/zinc/09/30/91/345093091.db2.gz NHCSVQZGMGGKQI-GFCCVEGCSA-N 1 1 197.322 2.023 10 0 AEAEMO CC[N@H+]1CC[C@](O)(CC2CCCC2)C1 306204299 345093329 /nfs/dbraw/zinc/09/33/29/345093329.db2.gz NHCSVQZGMGGKQI-LBPRGKRZSA-N 1 1 197.322 2.023 10 0 AEAEMO CC[N@@H+](C)CC=C1CCC1 306208557 345098254 /nfs/dbraw/zinc/09/82/54/345098254.db2.gz RTTLJVBDRRTJDB-UHFFFAOYSA-N 1 1 139.242 2.048 10 0 AEAEMO NCC1([NH+]2CCC2)CCCCCCC1 306211850 345101442 /nfs/dbraw/zinc/10/14/42/345101442.db2.gz UZCWQPVRDSYAPJ-UHFFFAOYSA-N 1 1 196.338 2.134 10 0 AEAEMO C[C@H](C1CC1)[N@H+]1CC[C@@](C)(F)C1 306212231 345101931 /nfs/dbraw/zinc/10/19/31/345101931.db2.gz KIAVZDNAFNXMBY-PSASIEDQSA-N 1 1 171.259 2.219 10 0 AEAEMO C[C@@H](C1CC1)[N@H+]1CC[C@@](C)(F)C1 306212233 345101973 /nfs/dbraw/zinc/10/19/73/345101973.db2.gz KIAVZDNAFNXMBY-WCBMZHEXSA-N 1 1 171.259 2.219 10 0 AEAEMO C[C@H](C1CC1)[N@H+]1CC[C@](C)(F)C1 306212232 345102124 /nfs/dbraw/zinc/10/21/24/345102124.db2.gz KIAVZDNAFNXMBY-SCZZXKLOSA-N 1 1 171.259 2.219 10 0 AEAEMO C[C@@H](C1CC1)[N@H+]1CC[C@](C)(F)C1 306212234 345102202 /nfs/dbraw/zinc/10/22/02/345102202.db2.gz KIAVZDNAFNXMBY-WPRPVWTQSA-N 1 1 171.259 2.219 10 0 AEAEMO Cc1csc(C[N@H+]2C[C@@H](C)[C@H]2C)n1 306213350 345103439 /nfs/dbraw/zinc/10/34/39/345103439.db2.gz ZJPLRCKOOAZGOU-VXNVDRBHSA-N 1 1 196.319 2.292 10 0 AEAEMO Cc1csc(C[N@H+]2C[C@H](C)[C@H]2C)n1 306213348 345103095 /nfs/dbraw/zinc/10/30/95/345103095.db2.gz ZJPLRCKOOAZGOU-IONNQARKSA-N 1 1 196.319 2.292 10 0 AEAEMO Cc1csc(C[N@@H+]2C[C@H](C)[C@H]2C)n1 306213348 345103096 /nfs/dbraw/zinc/10/30/96/345103096.db2.gz ZJPLRCKOOAZGOU-IONNQARKSA-N 1 1 196.319 2.292 10 0 AEAEMO Cc1csc(C[N@H+]2C[C@H](C)[C@@H]2C)n1 306213346 345103167 /nfs/dbraw/zinc/10/31/67/345103167.db2.gz ZJPLRCKOOAZGOU-CBAPKCEASA-N 1 1 196.319 2.292 10 0 AEAEMO Cc1csc(C[N@@H+]2C[C@H](C)[C@@H]2C)n1 306213346 345103171 /nfs/dbraw/zinc/10/31/71/345103171.db2.gz ZJPLRCKOOAZGOU-CBAPKCEASA-N 1 1 196.319 2.292 10 0 AEAEMO CC[C@@H]1CC[N@H+]1Cc1scnc1C 306213167 345103219 /nfs/dbraw/zinc/10/32/19/345103219.db2.gz LDVRUCANNNIUBW-SECBINFHSA-N 1 1 196.319 2.436 10 0 AEAEMO Cc1csc(C[N@H+]2C[C@@H](C)[C@@H]2C)n1 306213344 345103343 /nfs/dbraw/zinc/10/33/43/345103343.db2.gz ZJPLRCKOOAZGOU-APPZFPTMSA-N 1 1 196.319 2.292 10 0 AEAEMO Cc1csc(C[N@@H+]2C[C@@H](C)[C@@H]2C)n1 306213344 345103346 /nfs/dbraw/zinc/10/33/46/345103346.db2.gz ZJPLRCKOOAZGOU-APPZFPTMSA-N 1 1 196.319 2.292 10 0 AEAEMO CC[C@H]1CC[N@H+]1Cc1scnc1C 306213168 345103389 /nfs/dbraw/zinc/10/33/89/345103389.db2.gz LDVRUCANNNIUBW-VIFPVBQESA-N 1 1 196.319 2.436 10 0 AEAEMO Cc1csc(C[N@@H+]2C[C@@H](C)[C@H]2C)n1 306213350 345103442 /nfs/dbraw/zinc/10/34/42/345103442.db2.gz ZJPLRCKOOAZGOU-VXNVDRBHSA-N 1 1 196.319 2.292 10 0 AEAEMO CC1(C[N@H+]2CCC[C@H](O)C2)CCCC1 306214582 345105118 /nfs/dbraw/zinc/10/51/18/345105118.db2.gz ZFHJRYXLWRZWMK-NSHDSACASA-N 1 1 197.322 2.023 10 0 AEAEMO CC1(C[N@H+]2CCC[C@@H](O)C2)CCCC1 306214581 345105392 /nfs/dbraw/zinc/10/53/92/345105392.db2.gz ZFHJRYXLWRZWMK-LLVKDONJSA-N 1 1 197.322 2.023 10 0 AEAEMO C[C@@H]1C[C@H](O)C[N@H+]1C1CCCCCC1 306214800 345105783 /nfs/dbraw/zinc/10/57/83/345105783.db2.gz HCEVYVRGIJHHGG-PWSUYJOCSA-N 1 1 197.322 2.164 10 0 AEAEMO C[C@H]1C[C@H](O)C[N@H+]1C1CCCCCC1 306214797 345105919 /nfs/dbraw/zinc/10/59/19/345105919.db2.gz HCEVYVRGIJHHGG-JQWIXIFHSA-N 1 1 197.322 2.164 10 0 AEAEMO C[C@H]1C[C@@H](O)C[N@H+]1C1CCCCCC1 306214794 345105932 /nfs/dbraw/zinc/10/59/32/345105932.db2.gz HCEVYVRGIJHHGG-CMPLNLGQSA-N 1 1 197.322 2.164 10 0 AEAEMO C[C@@H]1C[C@@H](O)C[N@H+]1C1CCCCCC1 306214803 345105977 /nfs/dbraw/zinc/10/59/77/345105977.db2.gz HCEVYVRGIJHHGG-ZYHUDNBSSA-N 1 1 197.322 2.164 10 0 AEAEMO CCCC[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C 306219166 345111178 /nfs/dbraw/zinc/11/11/78/345111178.db2.gz GDTUEJLRLNLJNE-HBNTYKKESA-N 1 1 185.311 2.284 10 0 AEAEMO CCCC[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C 306219165 345111498 /nfs/dbraw/zinc/11/14/98/345111498.db2.gz GDTUEJLRLNLJNE-GARJFASQSA-N 1 1 185.311 2.284 10 0 AEAEMO CCCC[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C 306219164 345111527 /nfs/dbraw/zinc/11/15/27/345111527.db2.gz GDTUEJLRLNLJNE-DCAQKATOSA-N 1 1 185.311 2.284 10 0 AEAEMO CCCC[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C 306219163 345111672 /nfs/dbraw/zinc/11/16/72/345111672.db2.gz GDTUEJLRLNLJNE-AXFHLTTASA-N 1 1 185.311 2.284 10 0 AEAEMO CC(C)[N@@H+]1CCC[C@@H]1C(F)F 306219866 345112493 /nfs/dbraw/zinc/11/24/93/345112493.db2.gz NFVNJAFEVCJPNH-SSDOTTSWSA-N 1 1 163.211 2.124 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H]1C(F)F 306219866 345112496 /nfs/dbraw/zinc/11/24/96/345112496.db2.gz NFVNJAFEVCJPNH-SSDOTTSWSA-N 1 1 163.211 2.124 10 0 AEAEMO C[C@@H]1CCC[N@H+]1C1CCC(CO)CC1 306222633 345115458 /nfs/dbraw/zinc/11/54/58/345115458.db2.gz QWBHQQJCQINNFR-VOMCLLRMSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1CCC[N@H+]1C1CCC(CO)CC1 306222632 345115550 /nfs/dbraw/zinc/11/55/50/345115550.db2.gz QWBHQQJCQINNFR-UNXYVOJBSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)[N@@H+](C)[C@]1(C)CCC[C@]1(C)O 306231791 345125159 /nfs/dbraw/zinc/12/51/59/345125159.db2.gz MESBUQMMFQYFHY-MNOVXSKESA-N 1 1 185.311 2.020 10 0 AEAEMO CC(C)[N@@H+](C)[C@@]1(C)CCC[C@@]1(C)O 306231805 345125273 /nfs/dbraw/zinc/12/52/73/345125273.db2.gz MESBUQMMFQYFHY-WDEREUQCSA-N 1 1 185.311 2.020 10 0 AEAEMO CC(C)[N@@H+](C)[C@@]1(C)CCC[C@]1(C)O 306231798 345125297 /nfs/dbraw/zinc/12/52/97/345125297.db2.gz MESBUQMMFQYFHY-QWRGUYRKSA-N 1 1 185.311 2.020 10 0 AEAEMO Cc1cc[nH+]c(N)c1-c1ccsn1 306236176 345129269 /nfs/dbraw/zinc/12/92/69/345129269.db2.gz GWJPBFUMHFNYFU-UHFFFAOYSA-N 1 1 191.259 2.096 10 0 AEAEMO CC(C)n1ccc(C[NH+]2CCCC2)n1 306239648 345132008 /nfs/dbraw/zinc/13/20/08/345132008.db2.gz SHOZSMTUFVLRND-UHFFFAOYSA-N 1 1 193.294 2.060 10 0 AEAEMO CC[C@H]1CC[N@@H+]1Cc1ncc(C)s1 306240500 345133447 /nfs/dbraw/zinc/13/34/47/345133447.db2.gz KFUZRDWPHZANCD-VIFPVBQESA-N 1 1 196.319 2.436 10 0 AEAEMO CC[C@H]1CC[N@H+]1Cc1ncc(C)s1 306240500 345133448 /nfs/dbraw/zinc/13/34/48/345133448.db2.gz KFUZRDWPHZANCD-VIFPVBQESA-N 1 1 196.319 2.436 10 0 AEAEMO COC(=[NH2+])C1(C)CCCC1 306244133 345136139 /nfs/dbraw/zinc/13/61/39/345136139.db2.gz PGCPFPLKFBCBMN-UHFFFAOYSA-N 1 1 141.214 2.190 10 0 AEAEMO Cc1cc[nH+]c(C)c1NC1CC1 306245508 345137620 /nfs/dbraw/zinc/13/76/20/345137620.db2.gz QNQYWCLDLIQOHB-UHFFFAOYSA-N 1 1 162.236 2.273 10 0 AEAEMO C[C@@H](C1CC1)[N@@H+]1CCC(F)(F)C1 306246236 345138133 /nfs/dbraw/zinc/13/81/33/345138133.db2.gz NXHCXYKYDURQCA-ZETCQYMHSA-N 1 1 175.222 2.126 10 0 AEAEMO C[C@@H](C1CC1)[N@H+]1CCC(F)(F)C1 306246236 345138137 /nfs/dbraw/zinc/13/81/37/345138137.db2.gz NXHCXYKYDURQCA-ZETCQYMHSA-N 1 1 175.222 2.126 10 0 AEAEMO C[C@H](C1CC1)[N@@H+]1CCC(F)(F)C1 306246235 345138254 /nfs/dbraw/zinc/13/82/54/345138254.db2.gz NXHCXYKYDURQCA-SSDOTTSWSA-N 1 1 175.222 2.126 10 0 AEAEMO C[C@H](C1CC1)[N@H+]1CCC(F)(F)C1 306246235 345138255 /nfs/dbraw/zinc/13/82/55/345138255.db2.gz NXHCXYKYDURQCA-SSDOTTSWSA-N 1 1 175.222 2.126 10 0 AEAEMO Cc1occc1[C@H]1[NH2+]C[C@H](C)S1 306248504 345140255 /nfs/dbraw/zinc/14/02/55/345140255.db2.gz UXIRAGTYZWPMEJ-RCOVLWMOSA-N 1 1 183.276 2.312 10 0 AEAEMO Cc1occc1[C@@H]1[NH2+]C[C@H](C)S1 306248502 345140279 /nfs/dbraw/zinc/14/02/79/345140279.db2.gz UXIRAGTYZWPMEJ-IMTBSYHQSA-N 1 1 183.276 2.312 10 0 AEAEMO Cc1occc1[C@H]1[NH2+]C[C@@H](C)S1 306248503 345140313 /nfs/dbraw/zinc/14/03/13/345140313.db2.gz UXIRAGTYZWPMEJ-MUWHJKNJSA-N 1 1 183.276 2.312 10 0 AEAEMO CCN1CC[C@@H]([NH2+]C2CCC2)C[C@H]1C 306248250 345140380 /nfs/dbraw/zinc/14/03/80/345140380.db2.gz PWUIVDHDMKGJGM-ZYHUDNBSSA-N 1 1 196.338 2.001 10 0 AEAEMO CCN1CC[C@H]([NH2+]C2CCC2)C[C@@H]1C 306248248 345140386 /nfs/dbraw/zinc/14/03/86/345140386.db2.gz PWUIVDHDMKGJGM-JQWIXIFHSA-N 1 1 196.338 2.001 10 0 AEAEMO Cc1occc1[C@@H]1[NH2+]C[C@@H](C)S1 306248501 345140399 /nfs/dbraw/zinc/14/03/99/345140399.db2.gz UXIRAGTYZWPMEJ-HZGVNTEJSA-N 1 1 183.276 2.312 10 0 AEAEMO CCN1CC[C@H]([NH2+]C2CCC2)C[C@H]1C 306248249 345140491 /nfs/dbraw/zinc/14/04/91/345140491.db2.gz PWUIVDHDMKGJGM-PWSUYJOCSA-N 1 1 196.338 2.001 10 0 AEAEMO CCN1CC[C@@H]([NH2+]C2CCC2)C[C@@H]1C 306248247 345140523 /nfs/dbraw/zinc/14/05/23/345140523.db2.gz PWUIVDHDMKGJGM-CMPLNLGQSA-N 1 1 196.338 2.001 10 0 AEAEMO [NH3+][C@@H](C1=CCCO1)c1sccc1F 306251283 345143086 /nfs/dbraw/zinc/14/30/86/345143086.db2.gz ZWVFZHOLEPYQLX-QMMMGPOBSA-N 1 1 199.250 2.191 10 0 AEAEMO [NH3+][C@H](C1=CCCO1)c1sccc1F 306251277 345143204 /nfs/dbraw/zinc/14/32/04/345143204.db2.gz ZWVFZHOLEPYQLX-MRVPVSSYSA-N 1 1 199.250 2.191 10 0 AEAEMO CC[C@H](C)[N@H+]1CCOC(C)(C)[C@@H]1C 306255270 345146464 /nfs/dbraw/zinc/14/64/64/345146464.db2.gz OXTGVKHELYKXJH-UWVGGRQHSA-N 1 1 185.311 2.284 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCOC(C)(C)[C@H]1C 306255269 345146524 /nfs/dbraw/zinc/14/65/24/345146524.db2.gz OXTGVKHELYKXJH-NXEZZACHSA-N 1 1 185.311 2.284 10 0 AEAEMO CC(C)C[N@H+]1CC[C@H](C)[C@@H](F)C1 306255702 345146822 /nfs/dbraw/zinc/14/68/22/345146822.db2.gz XIJDBMIQMKEPMH-UWVGGRQHSA-N 1 1 173.275 2.322 10 0 AEAEMO CC(C)C[N@H+]1CC[C@@H](C)[C@H](F)C1 306255701 345146882 /nfs/dbraw/zinc/14/68/82/345146882.db2.gz XIJDBMIQMKEPMH-NXEZZACHSA-N 1 1 173.275 2.322 10 0 AEAEMO CC(C)C[N@H+]1CC[C@H](C)[C@H](F)C1 306255703 345147033 /nfs/dbraw/zinc/14/70/33/345147033.db2.gz XIJDBMIQMKEPMH-VHSXEESVSA-N 1 1 173.275 2.322 10 0 AEAEMO CC(C)C[N@H+]1CC[C@@H](C)[C@@H](F)C1 306255704 345147116 /nfs/dbraw/zinc/14/71/16/345147116.db2.gz XIJDBMIQMKEPMH-ZJUUUORDSA-N 1 1 173.275 2.322 10 0 AEAEMO C[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)C(C)(C)C1 306255696 345147124 /nfs/dbraw/zinc/14/71/24/345147124.db2.gz XHWQSOBMYSLUJD-HBNTYKKESA-N 1 1 197.322 2.020 10 0 AEAEMO CN(c1[nH]cc[nH+]1)C1CCCCC1 306259009 345150148 /nfs/dbraw/zinc/15/01/48/345150148.db2.gz SRTNQWPNJLXVRP-UHFFFAOYSA-N 1 1 179.267 2.179 10 0 AEAEMO C[N@@H+](C1CCC1)[C@H]1CCCSC1 306259879 345150521 /nfs/dbraw/zinc/15/05/21/345150521.db2.gz UIVJUKVUQZAIOJ-JTQLQIEISA-N 1 1 185.336 2.366 10 0 AEAEMO C[N@@H+](C1CCC1)[C@@H]1CCCSC1 306259889 345150604 /nfs/dbraw/zinc/15/06/04/345150604.db2.gz UIVJUKVUQZAIOJ-SNVBAGLBSA-N 1 1 185.336 2.366 10 0 AEAEMO CC(F)(F)[C@@H]([NH3+])C1=CCCCC1 306265776 345155463 /nfs/dbraw/zinc/15/54/63/345155463.db2.gz FGNDVRYXNOQKGA-QMMMGPOBSA-N 1 1 175.222 2.469 10 0 AEAEMO CC(F)(F)[C@H]([NH3+])C1=CCCCC1 306265774 345155564 /nfs/dbraw/zinc/15/55/64/345155564.db2.gz FGNDVRYXNOQKGA-MRVPVSSYSA-N 1 1 175.222 2.469 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1C1CCCC1 306271815 345159721 /nfs/dbraw/zinc/15/97/21/345159721.db2.gz WGYQQEXIXNHKHA-DTORHVGOSA-N 1 1 153.269 2.412 10 0 AEAEMO CC(C)[C@@H]([NH3+])CN1CC[C@H](C)C[C@@H]1C 306273906 345161396 /nfs/dbraw/zinc/16/13/96/345161396.db2.gz AGJOKMIABWPYPR-SRVKXCTJSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@@H](N)C[N@H+]1CC[C@H](C)C[C@@H]1C 306273906 345161395 /nfs/dbraw/zinc/16/13/95/345161395.db2.gz AGJOKMIABWPYPR-SRVKXCTJSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc[nH]c1 306277235 345164662 /nfs/dbraw/zinc/16/46/62/345164662.db2.gz FNYUHVVPCKVDLR-ZJUUUORDSA-N 1 1 178.279 2.245 10 0 AEAEMO CC(C)[C@H]1CCC[N@@H+]1CC(F)F 306277508 345164672 /nfs/dbraw/zinc/16/46/72/345164672.db2.gz FUYWOOBSEVCFIX-MRVPVSSYSA-N 1 1 177.238 2.372 10 0 AEAEMO CC(C)[C@H]1CCC[N@H+]1CC(F)F 306277508 345164673 /nfs/dbraw/zinc/16/46/73/345164673.db2.gz FUYWOOBSEVCFIX-MRVPVSSYSA-N 1 1 177.238 2.372 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@@H+](Cc2cc[nH]c2)C1 306277232 345164708 /nfs/dbraw/zinc/16/47/08/345164708.db2.gz FNYUHVVPCKVDLR-VHSXEESVSA-N 1 1 178.279 2.245 10 0 AEAEMO CC(C)[C@@H]1CCC[N@@H+]1CC(F)F 306277512 345164731 /nfs/dbraw/zinc/16/47/31/345164731.db2.gz FUYWOOBSEVCFIX-QMMMGPOBSA-N 1 1 177.238 2.372 10 0 AEAEMO CC(C)[C@@H]1CCC[N@H+]1CC(F)F 306277512 345164733 /nfs/dbraw/zinc/16/47/33/345164733.db2.gz FUYWOOBSEVCFIX-QMMMGPOBSA-N 1 1 177.238 2.372 10 0 AEAEMO C[C@H]1C[C@H](C)[N@@H+](Cc2cc[nH]c2)C1 306277231 345164761 /nfs/dbraw/zinc/16/47/61/345164761.db2.gz FNYUHVVPCKVDLR-UWVGGRQHSA-N 1 1 178.279 2.245 10 0 AEAEMO CCC(=O)C[N@H+]1C[C@H]2CCCC[C@H]2C1 306279666 345165474 /nfs/dbraw/zinc/16/54/74/345165474.db2.gz SNJOBTRBZOJLLU-PHIMTYICSA-N 1 1 195.306 2.088 10 0 AEAEMO c1c[nH]c([C@H]2CCC[N@@H+]2C2CC2)c1 306279571 345165615 /nfs/dbraw/zinc/16/56/15/345165615.db2.gz HNHZBXFNFRDOHF-LLVKDONJSA-N 1 1 176.263 2.314 10 0 AEAEMO c1c[nH]c([C@@H]2CCC[N@@H+]2C2CC2)c1 306279572 345165654 /nfs/dbraw/zinc/16/56/54/345165654.db2.gz HNHZBXFNFRDOHF-NSHDSACASA-N 1 1 176.263 2.314 10 0 AEAEMO Nc1[nH]c2cc(C(F)F)ccc2[nH+]1 306280790 345166342 /nfs/dbraw/zinc/16/63/42/345166342.db2.gz DNBMGTNVHGHSBB-UHFFFAOYSA-N 1 1 183.161 2.083 10 0 AEAEMO C[C@H]1OCC[C@@H]1[N@H+]1CCCC1(C)C 306285885 345169628 /nfs/dbraw/zinc/16/96/28/345169628.db2.gz KMNWUQGVKZCQKO-ZJUUUORDSA-N 1 1 183.295 2.038 10 0 AEAEMO C[C@@H]1OCC[C@@H]1[N@H+]1CCCC1(C)C 306285883 345169709 /nfs/dbraw/zinc/16/97/09/345169709.db2.gz KMNWUQGVKZCQKO-UWVGGRQHSA-N 1 1 183.295 2.038 10 0 AEAEMO C[C@H]1OCC[C@H]1[N@H+]1CCCC1(C)C 306285882 345169716 /nfs/dbraw/zinc/16/97/16/345169716.db2.gz KMNWUQGVKZCQKO-NXEZZACHSA-N 1 1 183.295 2.038 10 0 AEAEMO C[C@@H]1OCC[C@H]1[N@H+]1CCCC1(C)C 306285884 345169861 /nfs/dbraw/zinc/16/98/61/345169861.db2.gz KMNWUQGVKZCQKO-VHSXEESVSA-N 1 1 183.295 2.038 10 0 AEAEMO FC1(F)CC[NH+](CC2(F)CC2)CC1 306289531 345171365 /nfs/dbraw/zinc/17/13/65/345171365.db2.gz NZVPCFMCJUZAKX-UHFFFAOYSA-N 1 1 193.212 2.220 10 0 AEAEMO C[C@H]1CCC[N@@H+](CC2(F)CC2)C1 306288903 345171606 /nfs/dbraw/zinc/17/16/06/345171606.db2.gz NPJOXFYHDPUPBF-VIFPVBQESA-N 1 1 171.259 2.220 10 0 AEAEMO C[C@H]1C[N@H+](C2CCC2)CC(C)(C)O1 306291758 345173638 /nfs/dbraw/zinc/17/36/38/345173638.db2.gz UDTVEGOJHKKACL-VIFPVBQESA-N 1 1 183.295 2.038 10 0 AEAEMO C[N@H+](C1CCCCCC1)C1COC1 306293123 345175126 /nfs/dbraw/zinc/17/51/26/345175126.db2.gz TZMJSWKZOSQETB-UHFFFAOYSA-N 1 1 183.295 2.040 10 0 AEAEMO Cc1ccc[nH+]c1NCC1(F)CC1 306301289 345181522 /nfs/dbraw/zinc/18/15/22/345181522.db2.gz GGHZFPYXBXGKPW-UHFFFAOYSA-N 1 1 180.226 2.304 10 0 AEAEMO C[C@H]1CCCC[N@H+]1C1CCOCC1 306306641 345186782 /nfs/dbraw/zinc/18/67/82/345186782.db2.gz FNZRYBLXFLXKQA-JTQLQIEISA-N 1 1 183.295 2.040 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1C1CCOCC1 306306650 345186788 /nfs/dbraw/zinc/18/67/88/345186788.db2.gz FNZRYBLXFLXKQA-SNVBAGLBSA-N 1 1 183.295 2.040 10 0 AEAEMO CC(C)([NH2+]C1CCC1)C(F)F 306308691 345188048 /nfs/dbraw/zinc/18/80/48/345188048.db2.gz GCDVCHXSJUMRNS-UHFFFAOYSA-N 1 1 163.211 2.172 10 0 AEAEMO CC[C@@H]1CC[N@@H+]1Cc1cscn1 306310025 345189469 /nfs/dbraw/zinc/18/94/69/345189469.db2.gz UNAPNBZNSUPRBG-SECBINFHSA-N 1 1 182.292 2.127 10 0 AEAEMO CC[C@@H]1CC[N@H+]1Cc1cscn1 306310025 345189471 /nfs/dbraw/zinc/18/94/71/345189471.db2.gz UNAPNBZNSUPRBG-SECBINFHSA-N 1 1 182.292 2.127 10 0 AEAEMO CC[C@H]1CC[N@@H+]1Cc1cscn1 306310026 345189575 /nfs/dbraw/zinc/18/95/75/345189575.db2.gz UNAPNBZNSUPRBG-VIFPVBQESA-N 1 1 182.292 2.127 10 0 AEAEMO CC[C@H]1CC[N@H+]1Cc1cscn1 306310026 345189578 /nfs/dbraw/zinc/18/95/78/345189578.db2.gz UNAPNBZNSUPRBG-VIFPVBQESA-N 1 1 182.292 2.127 10 0 AEAEMO C[C@H]1CC[N@H+](CC2(F)CC2)C[C@H]1F 306316131 345194562 /nfs/dbraw/zinc/19/45/62/345194562.db2.gz QZHOWZXDCUELBI-DTWKUNHWSA-N 1 1 189.249 2.168 10 0 AEAEMO C[C@H]1CC[N@@H+](CC2(F)CC2)C[C@H]1F 306316131 345194566 /nfs/dbraw/zinc/19/45/66/345194566.db2.gz QZHOWZXDCUELBI-DTWKUNHWSA-N 1 1 189.249 2.168 10 0 AEAEMO C[C@@H]1CC[N@H+](CC2(F)CC2)C[C@@H]1F 306316129 345194585 /nfs/dbraw/zinc/19/45/85/345194585.db2.gz QZHOWZXDCUELBI-BDAKNGLRSA-N 1 1 189.249 2.168 10 0 AEAEMO C[C@@H]1CC[N@@H+](CC2(F)CC2)C[C@@H]1F 306316129 345194587 /nfs/dbraw/zinc/19/45/87/345194587.db2.gz QZHOWZXDCUELBI-BDAKNGLRSA-N 1 1 189.249 2.168 10 0 AEAEMO C[C@@H]1CC[N@H+](CC2(F)CC2)C[C@H]1F 306316133 345194663 /nfs/dbraw/zinc/19/46/63/345194663.db2.gz QZHOWZXDCUELBI-RKDXNWHRSA-N 1 1 189.249 2.168 10 0 AEAEMO C[C@@H]1CC[N@@H+](CC2(F)CC2)C[C@H]1F 306316133 345194666 /nfs/dbraw/zinc/19/46/66/345194666.db2.gz QZHOWZXDCUELBI-RKDXNWHRSA-N 1 1 189.249 2.168 10 0 AEAEMO C[C@H]1CC[N@H+](CC2(F)CC2)C[C@@H]1F 306316132 345194690 /nfs/dbraw/zinc/19/46/90/345194690.db2.gz QZHOWZXDCUELBI-IUCAKERBSA-N 1 1 189.249 2.168 10 0 AEAEMO C[C@H]1CC[N@@H+](CC2(F)CC2)C[C@@H]1F 306316132 345194692 /nfs/dbraw/zinc/19/46/92/345194692.db2.gz QZHOWZXDCUELBI-IUCAKERBSA-N 1 1 189.249 2.168 10 0 AEAEMO CC1(C)CCC[N@H+]1Cc1ccno1 306327793 345205569 /nfs/dbraw/zinc/20/55/69/345205569.db2.gz ABJMREHAWZHXJQ-UHFFFAOYSA-N 1 1 180.251 2.049 10 0 AEAEMO C[C@H]1CSCC[N@@H+](CCCF)C1 306330141 345207498 /nfs/dbraw/zinc/20/74/98/345207498.db2.gz CECMQTAYESPFEU-SECBINFHSA-N 1 1 191.315 2.031 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1CCC(F)(F)F 306333533 345209632 /nfs/dbraw/zinc/20/96/32/345209632.db2.gz FETIFZAUYULPBR-KNVOCYPGSA-N 1 1 181.201 2.422 10 0 AEAEMO CC[C@@H]1C[N@H+](C2CCC2)CCS1 306343390 345217029 /nfs/dbraw/zinc/21/70/29/345217029.db2.gz ICYQZQPZCBWEHU-SNVBAGLBSA-N 1 1 185.336 2.366 10 0 AEAEMO CC[C@H]1C[N@H+](C2CCC2)CCS1 306343388 345217097 /nfs/dbraw/zinc/21/70/97/345217097.db2.gz ICYQZQPZCBWEHU-JTQLQIEISA-N 1 1 185.336 2.366 10 0 AEAEMO CCCN(C)c1ccc(C)c[nH+]1 306344317 345218087 /nfs/dbraw/zinc/21/80/87/345218087.db2.gz DHXPENHLECRTMK-UHFFFAOYSA-N 1 1 164.252 2.236 10 0 AEAEMO C[C@@H]1CC[N@H+](C[C@H](F)C(F)(F)F)C1 306344933 345218688 /nfs/dbraw/zinc/21/86/88/345218688.db2.gz DOXOXKKVOUQEEX-RQJHMYQMSA-N 1 1 199.191 2.229 10 0 AEAEMO C[C@@H]1CC[N@@H+](C[C@H](F)C(F)(F)F)C1 306344933 345218690 /nfs/dbraw/zinc/21/86/90/345218690.db2.gz DOXOXKKVOUQEEX-RQJHMYQMSA-N 1 1 199.191 2.229 10 0 AEAEMO C[C@H]1CC[N@H+](C[C@H](F)C(F)(F)F)C1 306344929 345218780 /nfs/dbraw/zinc/21/87/80/345218780.db2.gz DOXOXKKVOUQEEX-BQBZGAKWSA-N 1 1 199.191 2.229 10 0 AEAEMO C[C@H]1CC[N@@H+](C[C@H](F)C(F)(F)F)C1 306344929 345218782 /nfs/dbraw/zinc/21/87/82/345218782.db2.gz DOXOXKKVOUQEEX-BQBZGAKWSA-N 1 1 199.191 2.229 10 0 AEAEMO C[C@H]1CC[N@H+](C[C@@H](F)C(F)(F)F)C1 306344930 345218785 /nfs/dbraw/zinc/21/87/85/345218785.db2.gz DOXOXKKVOUQEEX-NKWVEPMBSA-N 1 1 199.191 2.229 10 0 AEAEMO C[C@H]1CC[N@@H+](C[C@@H](F)C(F)(F)F)C1 306344930 345218786 /nfs/dbraw/zinc/21/87/86/345218786.db2.gz DOXOXKKVOUQEEX-NKWVEPMBSA-N 1 1 199.191 2.229 10 0 AEAEMO C[C@@H]1CC[N@H+](C[C@@H](F)C(F)(F)F)C1 306344931 345219053 /nfs/dbraw/zinc/21/90/53/345219053.db2.gz DOXOXKKVOUQEEX-RNFRBKRXSA-N 1 1 199.191 2.229 10 0 AEAEMO C[C@@H]1CC[N@@H+](C[C@@H](F)C(F)(F)F)C1 306344931 345219057 /nfs/dbraw/zinc/21/90/57/345219057.db2.gz DOXOXKKVOUQEEX-RNFRBKRXSA-N 1 1 199.191 2.229 10 0 AEAEMO CC[N@H+]1CC[C@](O)(C2CCCCC2)C1 306350126 345223457 /nfs/dbraw/zinc/22/34/57/345223457.db2.gz VKBYTSUHJSWWRF-GFCCVEGCSA-N 1 1 197.322 2.023 10 0 AEAEMO CC[N@H+]1CC[C@@](O)(C2CCCCC2)C1 306350127 345223516 /nfs/dbraw/zinc/22/35/16/345223516.db2.gz VKBYTSUHJSWWRF-LBPRGKRZSA-N 1 1 197.322 2.023 10 0 AEAEMO Nc1cccc(Cl)c1C[NH+]1CCC1 306351274 345224562 /nfs/dbraw/zinc/22/45/62/345224562.db2.gz XEVBIHMLWMECHV-UHFFFAOYSA-N 1 1 196.681 2.128 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1Cc1ccco1 306351784 345224580 /nfs/dbraw/zinc/22/45/80/345224580.db2.gz XZVJCRVJFITGEW-DTORHVGOSA-N 1 1 165.236 2.262 10 0 AEAEMO Cc1occc1[C@@H]([NH3+])c1ccsn1 306354091 345226123 /nfs/dbraw/zinc/22/61/23/345226123.db2.gz QLQROPDRQGPOLA-SECBINFHSA-N 1 1 194.259 2.093 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC[C@@H]1CF 306359505 345230510 /nfs/dbraw/zinc/23/05/10/345230510.db2.gz DAXKMCZZKQTZBF-DTWKUNHWSA-N 1 1 159.248 2.219 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC[C@H]1CF 306359506 345230815 /nfs/dbraw/zinc/23/08/15/345230815.db2.gz DAXKMCZZKQTZBF-IUCAKERBSA-N 1 1 159.248 2.219 10 0 AEAEMO CCC(=O)Nc1cc(C)[nH+]c(C)c1 306360622 345231404 /nfs/dbraw/zinc/23/14/04/345231404.db2.gz BHXOKOYWPGLDPG-UHFFFAOYSA-N 1 1 178.235 2.047 10 0 AEAEMO [NH3+]Cc1ncc(-c2sccc2F)o1 306361979 345232018 /nfs/dbraw/zinc/23/20/18/345232018.db2.gz QUHFKWNHGJHJLL-UHFFFAOYSA-N 1 1 198.222 2.001 10 0 AEAEMO CCC[N@H+]1C[C@H]2CCC(F)(F)[C@@H]2C1 306362289 345232404 /nfs/dbraw/zinc/23/24/04/345232404.db2.gz SAVJXCYIJXGOLL-RKDXNWHRSA-N 1 1 189.249 2.374 10 0 AEAEMO CCC[N@H+]1C[C@@H]2CCC(F)(F)[C@H]2C1 306362288 345232419 /nfs/dbraw/zinc/23/24/19/345232419.db2.gz SAVJXCYIJXGOLL-IUCAKERBSA-N 1 1 189.249 2.374 10 0 AEAEMO CCC[N@H+]1C[C@H]2CCC(F)(F)[C@H]2C1 306362286 345232462 /nfs/dbraw/zinc/23/24/62/345232462.db2.gz SAVJXCYIJXGOLL-BDAKNGLRSA-N 1 1 189.249 2.374 10 0 AEAEMO CCC[N@@H+]1C[C@@H]2[C@@H](CCC2(F)F)C1 306362287 345232482 /nfs/dbraw/zinc/23/24/82/345232482.db2.gz SAVJXCYIJXGOLL-DTWKUNHWSA-N 1 1 189.249 2.374 10 0 AEAEMO Fc1cc(F)cc(C[NH+]2CCC2)c1 306363327 345232962 /nfs/dbraw/zinc/23/29/62/345232962.db2.gz XNVALHMVARLWKE-UHFFFAOYSA-N 1 1 183.201 2.171 10 0 AEAEMO CCC(C)(C)C[N@H+]1CCO[C@H](C)C1 306365659 345234864 /nfs/dbraw/zinc/23/48/64/345234864.db2.gz FBFTVKYNAMTEBX-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC(C)(C)C[N@H+]1CCO[C@@H](C)C1 306365658 345235013 /nfs/dbraw/zinc/23/50/13/345235013.db2.gz FBFTVKYNAMTEBX-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO Cc1nc(C[NH+]2CCCCC2)oc1C 306371585 345239641 /nfs/dbraw/zinc/23/96/41/345239641.db2.gz OVGYLPMDOPQHGT-UHFFFAOYSA-N 1 1 194.278 2.277 10 0 AEAEMO c1c[nH]c(C[N@H+]2CCC23CCC3)c1 306374403 345242232 /nfs/dbraw/zinc/24/22/32/345242232.db2.gz LEDXVVDBKLZBHZ-UHFFFAOYSA-N 1 1 176.263 2.143 10 0 AEAEMO CCC1(C[N@H+]2CCC[C@H](O)C2)CCC1 306387297 345251257 /nfs/dbraw/zinc/25/12/57/345251257.db2.gz MORDUMDOLPFQPK-NSHDSACASA-N 1 1 197.322 2.023 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@H+](C(C)(C)CO)C1 306392328 345255049 /nfs/dbraw/zinc/25/50/49/345255049.db2.gz ZXMKNCDFBNRACQ-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@@H+]1Cc1nccs1 306399220 345260387 /nfs/dbraw/zinc/26/03/87/345260387.db2.gz FSJLGUOHCCPPRA-OCAPTIKFSA-N 1 1 182.292 2.126 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1Cc1nccs1 306399220 345260389 /nfs/dbraw/zinc/26/03/89/345260389.db2.gz FSJLGUOHCCPPRA-OCAPTIKFSA-N 1 1 182.292 2.126 10 0 AEAEMO CC[N@@H+](C)C[C@@H]1CC1(Cl)Cl 306407320 345267348 /nfs/dbraw/zinc/26/73/48/345267348.db2.gz YGZCEYRFHTXFPY-LURJTMIESA-N 1 1 182.094 2.132 10 0 AEAEMO CC[N@@H+](C)C[C@H]1CC1(Cl)Cl 306407321 345267362 /nfs/dbraw/zinc/26/73/62/345267362.db2.gz YGZCEYRFHTXFPY-ZCFIWIBFSA-N 1 1 182.094 2.132 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1Cc1ccc[nH]1 306410839 345270281 /nfs/dbraw/zinc/27/02/81/345270281.db2.gz JRNXVAUDBHLOSN-SNVBAGLBSA-N 1 1 178.279 2.389 10 0 AEAEMO C[C@H]1CCCC[N@H+]1Cc1ccc[nH]1 306410838 345270468 /nfs/dbraw/zinc/27/04/68/345270468.db2.gz JRNXVAUDBHLOSN-JTQLQIEISA-N 1 1 178.279 2.389 10 0 AEAEMO Cc1[nH+]ccn1C[C@H](C)C(F)(F)F 306415362 345273926 /nfs/dbraw/zinc/27/39/26/345273926.db2.gz PMCHMMLXQLIPOJ-LURJTMIESA-N 1 1 192.184 2.390 10 0 AEAEMO Cc1[nH+]ccn1C[C@@H](C)C(F)(F)F 306415365 345274095 /nfs/dbraw/zinc/27/40/95/345274095.db2.gz PMCHMMLXQLIPOJ-ZCFIWIBFSA-N 1 1 192.184 2.390 10 0 AEAEMO CCC(CC)[N@H+]1CCOC(C)(C)C1 306421266 345278156 /nfs/dbraw/zinc/27/81/56/345278156.db2.gz GYDGQJSWQRIYDW-UHFFFAOYSA-N 1 1 185.311 2.286 10 0 AEAEMO C[C@@H]1C[N@H+](Cc2ccc[nH]2)C[C@@H]1C 306421421 345278310 /nfs/dbraw/zinc/27/83/10/345278310.db2.gz HCIPGSGITBZPOJ-AOOOYVTPSA-N 1 1 178.279 2.103 10 0 AEAEMO Cc1ccc(Cl)c(C2(F)C[NH2+]C2)c1 306425351 345282577 /nfs/dbraw/zinc/28/25/77/345282577.db2.gz JFAZRHBBEMORKG-UHFFFAOYSA-N 1 1 199.656 2.416 10 0 AEAEMO CC(C)[C@@H]1CC[N@H+]1CC1(F)CC1 306427325 345284230 /nfs/dbraw/zinc/28/42/30/345284230.db2.gz IVXFRDZKSQQXEZ-VIFPVBQESA-N 1 1 171.259 2.219 10 0 AEAEMO CC(C)[C@H]1CC[N@H+]1CC1(F)CC1 306427324 345284248 /nfs/dbraw/zinc/28/42/48/345284248.db2.gz IVXFRDZKSQQXEZ-SECBINFHSA-N 1 1 171.259 2.219 10 0 AEAEMO CC[C@@H]1C[N@H+]([C@@H](C)C(C)C)CCO1 306427597 345284379 /nfs/dbraw/zinc/28/43/79/345284379.db2.gz LHBANBXZYSCGGB-WDEREUQCSA-N 1 1 185.311 2.142 10 0 AEAEMO CC[C@H]1C[N@H+]([C@H](C)C(C)C)CCO1 306427595 345284740 /nfs/dbraw/zinc/28/47/40/345284740.db2.gz LHBANBXZYSCGGB-MNOVXSKESA-N 1 1 185.311 2.142 10 0 AEAEMO CC[C@@H]1C[N@H+]([C@H](C)C(C)C)CCO1 306427594 345284757 /nfs/dbraw/zinc/28/47/57/345284757.db2.gz LHBANBXZYSCGGB-GHMZBOCLSA-N 1 1 185.311 2.142 10 0 AEAEMO CC[C@H]1C[N@H+]([C@@H](C)C(C)C)CCO1 306427596 345284901 /nfs/dbraw/zinc/28/49/01/345284901.db2.gz LHBANBXZYSCGGB-QWRGUYRKSA-N 1 1 185.311 2.142 10 0 AEAEMO C/C=C/C[N@H+]1[C@@H](C)CC[C@H]1C 306429763 345287997 /nfs/dbraw/zinc/28/79/97/345287997.db2.gz GWHQYYDQYHHWLY-XYBNDFSHSA-N 1 1 153.269 2.435 10 0 AEAEMO C[C@H]1CCCC[N@H+]1Cc1cc[nH]c1 306431064 345289404 /nfs/dbraw/zinc/28/94/04/345289404.db2.gz QXBSCOCVGFCCMI-JTQLQIEISA-N 1 1 178.279 2.389 10 0 AEAEMO CCCC[N@H+]1C[C@H](C)OCC1(C)C 306431635 345290271 /nfs/dbraw/zinc/29/02/71/345290271.db2.gz RQCLPJQSFZULPN-JTQLQIEISA-N 1 1 185.311 2.286 10 0 AEAEMO CCCC[N@H+]1C[C@@H](C)OCC1(C)C 306431636 345290394 /nfs/dbraw/zinc/29/03/94/345290394.db2.gz RQCLPJQSFZULPN-SNVBAGLBSA-N 1 1 185.311 2.286 10 0 AEAEMO CCC(C)(C)C[N@H+]1CCOC[C@H]1C 306431344 345290435 /nfs/dbraw/zinc/29/04/35/345290435.db2.gz RIEYNKIXHAPEPP-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC(C)(C)C[N@H+]1CCOC[C@@H]1C 306431342 345290511 /nfs/dbraw/zinc/29/05/11/345290511.db2.gz RIEYNKIXHAPEPP-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO Cc1cnc(C[NH+]2[C@H](C)C[C@H]2C)s1 306433001 345292441 /nfs/dbraw/zinc/29/24/41/345292441.db2.gz VJQRHLIMNNAPNH-HTQZYQBOSA-N 1 1 196.319 2.434 10 0 AEAEMO Cc1cnc(C[N@@H+]2[C@@H](C)C[C@H]2C)s1 306433002 345292467 /nfs/dbraw/zinc/29/24/67/345292467.db2.gz VJQRHLIMNNAPNH-OCAPTIKFSA-N 1 1 196.319 2.434 10 0 AEAEMO Cc1cnc(C[N@H+]2[C@@H](C)C[C@H]2C)s1 306433002 345292470 /nfs/dbraw/zinc/29/24/70/345292470.db2.gz VJQRHLIMNNAPNH-OCAPTIKFSA-N 1 1 196.319 2.434 10 0 AEAEMO CC[N@H+]1CCC[C@@H]1CC(F)(F)F 306434387 345294304 /nfs/dbraw/zinc/29/43/04/345294304.db2.gz ZULOYTGIAFFEFC-SSDOTTSWSA-N 1 1 181.201 2.423 10 0 AEAEMO CC[N@H+]1CCC[C@H]1CC(F)(F)F 306434388 345294680 /nfs/dbraw/zinc/29/46/80/345294680.db2.gz ZULOYTGIAFFEFC-ZETCQYMHSA-N 1 1 181.201 2.423 10 0 AEAEMO F[C@@H]1CCCC[N@@H+](CC2(F)CC2)C1 306435148 345295099 /nfs/dbraw/zinc/29/50/99/345295099.db2.gz BBPFZWOYHJKQQY-SECBINFHSA-N 1 1 189.249 2.313 10 0 AEAEMO F[C@H]1CCCC[N@@H+](CC2(F)CC2)C1 306435149 345295200 /nfs/dbraw/zinc/29/52/00/345295200.db2.gz BBPFZWOYHJKQQY-VIFPVBQESA-N 1 1 189.249 2.313 10 0 AEAEMO C[C@H]1CC[N@@H+](C2CCC2)[C@@H]1C 306435330 345295650 /nfs/dbraw/zinc/29/56/50/345295650.db2.gz BKNPYKNJHMGYFP-DTWKUNHWSA-N 1 1 153.269 2.269 10 0 AEAEMO C[C@H]1[C@H](C)CC[N@H+]1C1CCC1 306435320 345295801 /nfs/dbraw/zinc/29/58/01/345295801.db2.gz BKNPYKNJHMGYFP-BDAKNGLRSA-N 1 1 153.269 2.269 10 0 AEAEMO C[C@H]1CC[N@@H+](C2CCC2)[C@H]1C 306435339 345295947 /nfs/dbraw/zinc/29/59/47/345295947.db2.gz BKNPYKNJHMGYFP-IUCAKERBSA-N 1 1 153.269 2.269 10 0 AEAEMO CC1CC([NH2+]C2(C(F)F)CC2)C1 306442279 345302598 /nfs/dbraw/zinc/30/25/98/345302598.db2.gz KLWDOZVYCVFVFA-UHFFFAOYSA-N 1 1 175.222 2.172 10 0 AEAEMO C1=CC[N@@H+]([C@@H]2CCCSC2)CC1 306446286 345306271 /nfs/dbraw/zinc/30/62/71/345306271.db2.gz AWNRZLVILKEZJU-SNVBAGLBSA-N 1 1 183.320 2.144 10 0 AEAEMO c1csc(C[N@H+]2CC[C@H]3C[C@H]32)c1 306446613 345306278 /nfs/dbraw/zinc/30/62/78/345306278.db2.gz BNBAIHUGZAVEDC-WCBMZHEXSA-N 1 1 179.288 2.342 10 0 AEAEMO c1csc(C[N@H+]2CC[C@@H]3C[C@@H]32)c1 306446612 345306296 /nfs/dbraw/zinc/30/62/96/345306296.db2.gz BNBAIHUGZAVEDC-SCZZXKLOSA-N 1 1 179.288 2.342 10 0 AEAEMO CC(C)C[N@H+]1CCSCC1(C)C 306446291 345306328 /nfs/dbraw/zinc/30/63/28/345306328.db2.gz AXMVELQWFVXTQQ-UHFFFAOYSA-N 1 1 187.352 2.470 10 0 AEAEMO C1=CC[N@@H+]([C@H]2CCCSC2)CC1 306446285 345306445 /nfs/dbraw/zinc/30/64/45/345306445.db2.gz AWNRZLVILKEZJU-JTQLQIEISA-N 1 1 183.320 2.144 10 0 AEAEMO C(C[N@H+]1CC[C@@H]2C[C@@H]21)=C1CCC1 306449081 345309096 /nfs/dbraw/zinc/30/90/96/345309096.db2.gz KTJGIGOHQIBIJC-MNOVXSKESA-N 1 1 163.264 2.191 10 0 AEAEMO C(C[N@H+]1CC[C@H]2C[C@H]21)=C1CCC1 306449083 345309265 /nfs/dbraw/zinc/30/92/65/345309265.db2.gz KTJGIGOHQIBIJC-WDEREUQCSA-N 1 1 163.264 2.191 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CC[C@@H](C)C1 306449862 345309999 /nfs/dbraw/zinc/30/99/99/345309999.db2.gz YKASJDGGWZENED-ZJUUUORDSA-N 1 1 155.285 2.373 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CC[C@H](C)C1 306449860 345310092 /nfs/dbraw/zinc/31/00/92/345310092.db2.gz YKASJDGGWZENED-UWVGGRQHSA-N 1 1 155.285 2.373 10 0 AEAEMO CC(C)[C@@H](C)[N@H+]1CC[C@@H](C)C1 306449859 345310145 /nfs/dbraw/zinc/31/01/45/345310145.db2.gz YKASJDGGWZENED-NXEZZACHSA-N 1 1 155.285 2.373 10 0 AEAEMO CC(C)[C@@H](C)[N@H+]1CC[C@H](C)C1 306449861 345310220 /nfs/dbraw/zinc/31/02/20/345310220.db2.gz YKASJDGGWZENED-VHSXEESVSA-N 1 1 155.285 2.373 10 0 AEAEMO Cc1cccc(N(C)CC2CC2)[nH+]1 306453160 345313075 /nfs/dbraw/zinc/31/30/75/345313075.db2.gz NSKRWFFTOIQLRQ-UHFFFAOYSA-N 1 1 176.263 2.236 10 0 AEAEMO C[N@@H+](CC1CC1)[C@@H]1C=CCCC1 306454365 345314461 /nfs/dbraw/zinc/31/44/61/345314461.db2.gz PIMICQBXRRWBIX-LLVKDONJSA-N 1 1 165.280 2.437 10 0 AEAEMO C[N@@H+](CC1CC1)[C@H]1C=CCCC1 306454366 345314627 /nfs/dbraw/zinc/31/46/27/345314627.db2.gz PIMICQBXRRWBIX-NSHDSACASA-N 1 1 165.280 2.437 10 0 AEAEMO CC1(C)CC[C@@H]1[NH2+]CC(F)F 306458523 345318155 /nfs/dbraw/zinc/31/81/55/345318155.db2.gz ZNFGYRANYCLDGG-LURJTMIESA-N 1 1 163.211 2.030 10 0 AEAEMO CC1(C)CC[C@H]1[NH2+]CC(F)F 306458524 345318233 /nfs/dbraw/zinc/31/82/33/345318233.db2.gz ZNFGYRANYCLDGG-ZCFIWIBFSA-N 1 1 163.211 2.030 10 0 AEAEMO Cn1cccc1C[N@H+]1CCC1(C)C 306459191 345318634 /nfs/dbraw/zinc/31/86/34/345318634.db2.gz DIJUVKAHEWTNLZ-UHFFFAOYSA-N 1 1 178.279 2.009 10 0 AEAEMO Cl/C=C/C[N@H+]1C[C@@H]2CCC[C@@H]21 306459519 345318828 /nfs/dbraw/zinc/31/88/28/345318828.db2.gz GWYOMMWZQVJQPT-GBJHPGTDSA-N 1 1 171.671 2.223 10 0 AEAEMO Cl/C=C/C[N@H+]1C[C@@H]2CCC[C@H]21 306459517 345318875 /nfs/dbraw/zinc/31/88/75/345318875.db2.gz GWYOMMWZQVJQPT-DMJFMDCBSA-N 1 1 171.671 2.223 10 0 AEAEMO Cc1cc([C@@H]([NH3+])c2ccsn2)co1 306462869 345322583 /nfs/dbraw/zinc/32/25/83/345322583.db2.gz GLFZWFGTUNALSS-SECBINFHSA-N 1 1 194.259 2.093 10 0 AEAEMO CC[C@H]1COCC[N@H+]1CC=C(C)C 306462835 345322769 /nfs/dbraw/zinc/32/27/69/345322769.db2.gz HCEBMYGVFPPJEC-NSHDSACASA-N 1 1 183.295 2.063 10 0 AEAEMO CC[C@@H]1COCC[N@H+]1CC=C(C)C 306462816 345322816 /nfs/dbraw/zinc/32/28/16/345322816.db2.gz HCEBMYGVFPPJEC-LLVKDONJSA-N 1 1 183.295 2.063 10 0 AEAEMO Cc1cc([C@H]([NH3+])c2ccsn2)co1 306462870 345322888 /nfs/dbraw/zinc/32/28/88/345322888.db2.gz GLFZWFGTUNALSS-VIFPVBQESA-N 1 1 194.259 2.093 10 0 AEAEMO CNc1cc(CSC)cc(C)[nH+]1 306468186 345329887 /nfs/dbraw/zinc/32/98/87/345329887.db2.gz NMCOEISHCRQPDN-UHFFFAOYSA-N 1 1 182.292 2.295 10 0 AEAEMO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1CC[C@@H]1C 306468199 345329934 /nfs/dbraw/zinc/32/99/34/345329934.db2.gz NNAFVSFRMJFPDJ-LAEOZQHASA-N 1 1 193.294 2.167 10 0 AEAEMO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1CC[C@H]1C 306468198 345329973 /nfs/dbraw/zinc/32/99/73/345329973.db2.gz NNAFVSFRMJFPDJ-FYBVGQRMSA-N 1 1 193.294 2.167 10 0 AEAEMO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CC[C@@H]1C 306468197 345329998 /nfs/dbraw/zinc/32/99/98/345329998.db2.gz NNAFVSFRMJFPDJ-DKCNOQQISA-N 1 1 193.294 2.167 10 0 AEAEMO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CC[C@H]1C 306468200 345330018 /nfs/dbraw/zinc/33/00/18/345330018.db2.gz NNAFVSFRMJFPDJ-VHSKPIJISA-N 1 1 193.294 2.167 10 0 AEAEMO CC1(C)CC[N@H+]1C[Si](C)(C)C 306469721 345332329 /nfs/dbraw/zinc/33/23/29/345332329.db2.gz PUAQJJNBMZMEOS-UHFFFAOYSA-N 1 1 171.360 2.348 10 0 AEAEMO C[C@H]1C[N@H+](C(C)(C)C(C)(C)C)CCN1 306471412 345334750 /nfs/dbraw/zinc/33/47/50/345334750.db2.gz RQUYRKRBNFGLAY-JTQLQIEISA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H]1C[N@H+](C(C)(C)C(C)(C)C)CCN1 306471419 345334771 /nfs/dbraw/zinc/33/47/71/345334771.db2.gz RQUYRKRBNFGLAY-SNVBAGLBSA-N 1 1 198.354 2.105 10 0 AEAEMO C/C=C/C[N@H+]1CCC[C@@H]2C[C@@H]21 306471679 345335043 /nfs/dbraw/zinc/33/50/43/345335043.db2.gz ZVCXNWXDOVKNFH-NBYFHADBSA-N 1 1 151.253 2.047 10 0 AEAEMO C[C@H]1CC[N@@H+](CCF)[C@@H](C)C1 306473999 345338120 /nfs/dbraw/zinc/33/81/20/345338120.db2.gz VEXWIBLDOXNTQJ-IUCAKERBSA-N 1 1 159.248 2.076 10 0 AEAEMO C[NH2+]C[C@@H](C)[N@H+]1CCCC12CCCC2 306474002 345338143 /nfs/dbraw/zinc/33/81/43/345338143.db2.gz VFMWBNUFLBYYHL-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@H]1CC[N@@H+](CCF)[C@H](C)C1 306473998 345338277 /nfs/dbraw/zinc/33/82/77/345338277.db2.gz VEXWIBLDOXNTQJ-DTWKUNHWSA-N 1 1 159.248 2.076 10 0 AEAEMO C[C@H]1C[C@H](C)CC[N@H+]1CCF 306473997 345338395 /nfs/dbraw/zinc/33/83/95/345338395.db2.gz VEXWIBLDOXNTQJ-BDAKNGLRSA-N 1 1 159.248 2.076 10 0 AEAEMO CCCC[N@H+]1CCC[C@H]2C[C@H]21 306475697 345340988 /nfs/dbraw/zinc/34/09/88/345340988.db2.gz XKZCLMURNUNLNF-VHSXEESVSA-N 1 1 153.269 2.271 10 0 AEAEMO CSCC[N@H+]1CC[C@@H](C)[C@H](F)C1 306478387 345345028 /nfs/dbraw/zinc/34/50/28/345345028.db2.gz BHYBHAFCXFWTSW-RKDXNWHRSA-N 1 1 191.315 2.029 10 0 AEAEMO CSCC[N@H+]1CC[C@H](C)[C@@H](F)C1 306478386 345345056 /nfs/dbraw/zinc/34/50/56/345345056.db2.gz BHYBHAFCXFWTSW-IUCAKERBSA-N 1 1 191.315 2.029 10 0 AEAEMO CSCC[N@H+]1CC[C@H](C)[C@H](F)C1 306478385 345345127 /nfs/dbraw/zinc/34/51/27/345345127.db2.gz BHYBHAFCXFWTSW-DTWKUNHWSA-N 1 1 191.315 2.029 10 0 AEAEMO CSCC[N@H+]1CC[C@@H](C)[C@@H](F)C1 306478384 345345147 /nfs/dbraw/zinc/34/51/47/345345147.db2.gz BHYBHAFCXFWTSW-BDAKNGLRSA-N 1 1 191.315 2.029 10 0 AEAEMO C[C@H]1[C@H](C)CC[N@H+]1Cc1nccs1 306479235 345346129 /nfs/dbraw/zinc/34/61/29/345346129.db2.gz HUVUVWAAPRCCSZ-BDAKNGLRSA-N 1 1 196.319 2.373 10 0 AEAEMO C[C@H]1CC[N@@H+](Cc2nccs2)[C@@H]1C 306479236 345346190 /nfs/dbraw/zinc/34/61/90/345346190.db2.gz HUVUVWAAPRCCSZ-DTWKUNHWSA-N 1 1 196.319 2.373 10 0 AEAEMO C[C@H]1CC[N@@H+](Cc2nccs2)[C@H]1C 306479238 345346204 /nfs/dbraw/zinc/34/62/04/345346204.db2.gz HUVUVWAAPRCCSZ-IUCAKERBSA-N 1 1 196.319 2.373 10 0 AEAEMO CS[C@H]1CCCC[N@H+](C2CC2)C1 306481400 345349687 /nfs/dbraw/zinc/34/96/87/345349687.db2.gz GWKWUECOWCEBTK-JTQLQIEISA-N 1 1 185.336 2.366 10 0 AEAEMO CS[C@@H]1CCCC[N@H+](C2CC2)C1 306481408 345349795 /nfs/dbraw/zinc/34/97/95/345349795.db2.gz GWKWUECOWCEBTK-SNVBAGLBSA-N 1 1 185.336 2.366 10 0 AEAEMO Cc1ncsc1C[N@H+]1[C@@H](C)C[C@H]1C 306482719 345351430 /nfs/dbraw/zinc/35/14/30/345351430.db2.gz KSZUSSVFFLMXDU-OCAPTIKFSA-N 1 1 196.319 2.434 10 0 AEAEMO c1csc(CC[N@H+]2CC[C@H]3C[C@H]32)c1 306483331 345351757 /nfs/dbraw/zinc/35/17/57/345351757.db2.gz FFNNZVKRPHECIE-GXSJLCMTSA-N 1 1 193.315 2.385 10 0 AEAEMO c1csc(CC[N@H+]2CC[C@@H]3C[C@@H]32)c1 306483332 345351878 /nfs/dbraw/zinc/35/18/78/345351878.db2.gz FFNNZVKRPHECIE-KOLCDFICSA-N 1 1 193.315 2.385 10 0 AEAEMO C[N@H+]1CC[C@@H](CSC(C)(C)C)C1 306482987 345351908 /nfs/dbraw/zinc/35/19/08/345351908.db2.gz KDYCZHRKQPHZAX-SECBINFHSA-N 1 1 187.352 2.470 10 0 AEAEMO CNC[C@@H](C)[NH+]1CCCCCCCC1 306484195 345352594 /nfs/dbraw/zinc/35/25/94/345352594.db2.gz MEKFHXXJPGLYJL-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CNC[C@H](C)[NH+]1CCCCCCCC1 306484197 345352618 /nfs/dbraw/zinc/35/26/18/345352618.db2.gz MEKFHXXJPGLYJL-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO F[C@@H]1CCCC[N@H+](C2CCC2)C1 306488931 345360021 /nfs/dbraw/zinc/36/00/21/345360021.db2.gz WFINQRXDZZZTJW-SECBINFHSA-N 1 1 171.259 2.363 10 0 AEAEMO F[C@H]1CCCC[N@H+](C2CCC2)C1 306488932 345360162 /nfs/dbraw/zinc/36/01/62/345360162.db2.gz WFINQRXDZZZTJW-VIFPVBQESA-N 1 1 171.259 2.363 10 0 AEAEMO CC1(C)CC[N@@H+](Cc2ccc[nH]2)C1 306489412 345360614 /nfs/dbraw/zinc/36/06/14/345360614.db2.gz LXMRYNDGMSYFCD-UHFFFAOYSA-N 1 1 178.279 2.247 10 0 AEAEMO Cc1nc([C@H]([NH3+])c2ccsc2)co1 306494871 345368587 /nfs/dbraw/zinc/36/85/87/345368587.db2.gz BLALIFJHTJHIKT-SECBINFHSA-N 1 1 194.259 2.093 10 0 AEAEMO Cc1nc([C@@H]([NH3+])c2ccsc2)co1 306494872 345368592 /nfs/dbraw/zinc/36/85/92/345368592.db2.gz BLALIFJHTJHIKT-VIFPVBQESA-N 1 1 194.259 2.093 10 0 AEAEMO CC[C@](C)(O)C[N@H+]1CC2CCC1CC2 306495199 345368817 /nfs/dbraw/zinc/36/88/17/345368817.db2.gz VFXLIQQAKMWNPT-MCIGGMRASA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@](C)(O)C[N@H+]1CC2CCC1CC2 306495196 345368918 /nfs/dbraw/zinc/36/89/18/345368918.db2.gz VFXLIQQAKMWNPT-HTAVTVPLSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)N(C)c1c(N)c[nH+]cc1Cl 306496435 345370281 /nfs/dbraw/zinc/37/02/81/345370281.db2.gz DNIPGGKRBWOHEP-UHFFFAOYSA-N 1 1 199.685 2.162 10 0 AEAEMO C[N@@H+](Cc1cc[nH]c1)[C@@H]1CC1(C)C 306496592 345370695 /nfs/dbraw/zinc/37/06/95/345370695.db2.gz XUXVARHJFYVKGG-SNVBAGLBSA-N 1 1 178.279 2.245 10 0 AEAEMO C[N@@H+](Cc1cc[nH]c1)[C@H]1CC1(C)C 306496591 345370812 /nfs/dbraw/zinc/37/08/12/345370812.db2.gz XUXVARHJFYVKGG-JTQLQIEISA-N 1 1 178.279 2.245 10 0 AEAEMO C[C@H]1CCC[N@@H+](Cc2cc[nH]c2)C1 306504821 345378645 /nfs/dbraw/zinc/37/86/45/345378645.db2.gz ROACZOPFRHXSGD-JTQLQIEISA-N 1 1 178.279 2.247 10 0 AEAEMO CCC(=O)Nc1cc[nH+]c(C)c1C 306505552 345379210 /nfs/dbraw/zinc/37/92/10/345379210.db2.gz UAJQZWOYBZRBIE-UHFFFAOYSA-N 1 1 178.235 2.047 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1Cc1cccnc1 306511061 345382643 /nfs/dbraw/zinc/38/26/43/345382643.db2.gz MGNGTRBXFFRRJI-AOOOYVTPSA-N 1 1 176.263 2.064 10 0 AEAEMO Cc1cc([C@H]([NH3+])c2cscn2)co1 306511637 345383283 /nfs/dbraw/zinc/38/32/83/345383283.db2.gz NQJRLVQHMACQAJ-VIFPVBQESA-N 1 1 194.259 2.093 10 0 AEAEMO Cc1cc([C@@H]([NH3+])c2cscn2)co1 306511636 345383503 /nfs/dbraw/zinc/38/35/03/345383503.db2.gz NQJRLVQHMACQAJ-SECBINFHSA-N 1 1 194.259 2.093 10 0 AEAEMO CC1(C)CC[N@H+]1Cc1ccncc1 306515497 345386532 /nfs/dbraw/zinc/38/65/32/345386532.db2.gz WHZAGXOEPVBMGU-UHFFFAOYSA-N 1 1 176.263 2.066 10 0 AEAEMO CC[C@@H]1CC[N@H+]1CC=C(C)C 306515761 345387010 /nfs/dbraw/zinc/38/70/10/345387010.db2.gz WVSUTAZTEHPMDY-SNVBAGLBSA-N 1 1 153.269 2.437 10 0 AEAEMO CC[C@H]1CC[N@H+]1CC=C(C)C 306515760 345387105 /nfs/dbraw/zinc/38/71/05/345387105.db2.gz WVSUTAZTEHPMDY-JTQLQIEISA-N 1 1 153.269 2.437 10 0 AEAEMO CC1=CCC[N@@H+](CC2(F)CC2)C1 306518166 345389352 /nfs/dbraw/zinc/38/93/52/345389352.db2.gz BBOOXVQEDOBHBM-UHFFFAOYSA-N 1 1 169.243 2.141 10 0 AEAEMO Cc1cnccc1[C@H]1[NH2+]CCCS1 306522834 345395194 /nfs/dbraw/zinc/39/51/94/345395194.db2.gz QOWJSTAJIOOAFX-JTQLQIEISA-N 1 1 194.303 2.115 10 0 AEAEMO Cc1cnccc1[C@@H]1[NH2+]CCCS1 306522835 345395189 /nfs/dbraw/zinc/39/51/89/345395189.db2.gz QOWJSTAJIOOAFX-SNVBAGLBSA-N 1 1 194.303 2.115 10 0 AEAEMO CC1([C@@H]2COC(N)=[NH+]2)CCCCCC1 306524754 345397066 /nfs/dbraw/zinc/39/70/66/345397066.db2.gz ZYJWXNGRDYRITP-VIFPVBQESA-N 1 1 196.294 2.060 10 0 AEAEMO CC1([C@H]2COC(N)=[NH+]2)CCCCCC1 306524753 345397296 /nfs/dbraw/zinc/39/72/96/345397296.db2.gz ZYJWXNGRDYRITP-SECBINFHSA-N 1 1 196.294 2.060 10 0 AEAEMO C[C@H]1CC[N@H+](C[C@H]2C[C@H]2C)[C@H]1C 306529047 345400391 /nfs/dbraw/zinc/40/03/91/345400391.db2.gz HQXLOTLYWQUSRC-ZRUFSTJUSA-N 1 1 167.296 2.373 10 0 AEAEMO C[C@H]1CC[N@H+](C[C@H]2C[C@H]2C)[C@@H]1C 306529046 345400433 /nfs/dbraw/zinc/40/04/33/345400433.db2.gz HQXLOTLYWQUSRC-LNFKQOIKSA-N 1 1 167.296 2.373 10 0 AEAEMO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](C)[C@H]1C 306529045 345400480 /nfs/dbraw/zinc/40/04/80/345400480.db2.gz HQXLOTLYWQUSRC-GWOFURMSSA-N 1 1 167.296 2.373 10 0 AEAEMO C[C@H]1[C@H](C)CC[N@@H+]1C[C@H]1C[C@H]1C 306529043 345400589 /nfs/dbraw/zinc/40/05/89/345400589.db2.gz HQXLOTLYWQUSRC-CHWFTXMASA-N 1 1 167.296 2.373 10 0 AEAEMO CC1C[NH+](Cc2ccc(Cl)o2)C1 306531327 345403082 /nfs/dbraw/zinc/40/30/82/345403082.db2.gz KPHDJGBOMYDDPW-UHFFFAOYSA-N 1 1 185.654 2.385 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+]1CCC2(CCC2)C1 306531819 345403611 /nfs/dbraw/zinc/40/36/11/345403611.db2.gz AVFSJAPJHQXYSM-JTQLQIEISA-N 1 1 195.306 2.230 10 0 AEAEMO CCC(=O)[C@@H](C)[N@H+]1CCC2(CCC2)C1 306531820 345403390 /nfs/dbraw/zinc/40/33/90/345403390.db2.gz AVFSJAPJHQXYSM-SNVBAGLBSA-N 1 1 195.306 2.230 10 0 AEAEMO [NH3+][C@H](CC1CCCCC1)c1ncno1 306532532 345404405 /nfs/dbraw/zinc/40/44/05/345404405.db2.gz GQRJTTVGRWIFKV-SECBINFHSA-N 1 1 195.266 2.040 10 0 AEAEMO CC(C)CC[N@H+]1CCCSCC1 306532714 345404579 /nfs/dbraw/zinc/40/45/79/345404579.db2.gz MEBFLLZJMPIDML-UHFFFAOYSA-N 1 1 187.352 2.471 10 0 AEAEMO [NH3+][C@@H](CC1CCCCC1)c1ncno1 306532533 345404767 /nfs/dbraw/zinc/40/47/67/345404767.db2.gz GQRJTTVGRWIFKV-VIFPVBQESA-N 1 1 195.266 2.040 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1C(C)(C)CO 306534173 345406385 /nfs/dbraw/zinc/40/63/85/345406385.db2.gz DJEXDGCYPQFKSJ-SNVBAGLBSA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@](C)([C@H](C)N)[N@H+]1CC[C@@H](C)[C@H]1C 306535241 345407823 /nfs/dbraw/zinc/40/78/23/345407823.db2.gz FRXJDUNWDMXRRV-WISYIIOYSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@](C)([C@H](C)N)[N@H+]1CC[C@@H](C)[C@@H]1C 306535239 345407869 /nfs/dbraw/zinc/40/78/69/345407869.db2.gz FRXJDUNWDMXRRV-NOOOWODRSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@](C)([C@H](C)N)[N@H+]1CC[C@H](C)[C@H]1C 306535240 345407950 /nfs/dbraw/zinc/40/79/50/345407950.db2.gz FRXJDUNWDMXRRV-WHOHXGKFSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@](C)([C@H](C)N)[N@H+]1CC[C@H](C)[C@@H]1C 306535238 345408037 /nfs/dbraw/zinc/40/80/37/345408037.db2.gz FRXJDUNWDMXRRV-FIQHERPVSA-N 1 1 198.354 2.233 10 0 AEAEMO CCC(C)(C)CN1CC[NH2+][C@@H](C)[C@@H]1C 306536315 345408855 /nfs/dbraw/zinc/40/88/55/345408855.db2.gz HHIVTDTYTZMLAM-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(C)(C)C[N@H+]1CCN[C@@H](C)[C@H]1C 306536316 345408837 /nfs/dbraw/zinc/40/88/37/345408837.db2.gz HHIVTDTYTZMLAM-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(C)(C)CN1CC[NH2+][C@@H](C)[C@H]1C 306536316 345408838 /nfs/dbraw/zinc/40/88/38/345408838.db2.gz HHIVTDTYTZMLAM-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(C)(C)C[N@H+]1CCN[C@@H](C)[C@@H]1C 306536315 345408853 /nfs/dbraw/zinc/40/88/53/345408853.db2.gz HHIVTDTYTZMLAM-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO Cc1cc([C@H]([NH3+])c2ccoc2)sn1 306536286 345408871 /nfs/dbraw/zinc/40/88/71/345408871.db2.gz HDLALGDHMMHCHM-SECBINFHSA-N 1 1 194.259 2.093 10 0 AEAEMO CCC(C)(C)C[N@H+]1CCN[C@H](C)[C@H]1C 306536313 345408887 /nfs/dbraw/zinc/40/88/87/345408887.db2.gz HHIVTDTYTZMLAM-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(C)(C)CN1CC[NH2+][C@H](C)[C@H]1C 306536313 345408889 /nfs/dbraw/zinc/40/88/89/345408889.db2.gz HHIVTDTYTZMLAM-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO Cc1cc([C@@H]([NH3+])c2ccoc2)sn1 306536287 345409000 /nfs/dbraw/zinc/40/90/00/345409000.db2.gz HDLALGDHMMHCHM-VIFPVBQESA-N 1 1 194.259 2.093 10 0 AEAEMO CCC(C)(C)C[N@H+]1CCN[C@H](C)[C@@H]1C 306536314 345409145 /nfs/dbraw/zinc/40/91/45/345409145.db2.gz HHIVTDTYTZMLAM-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(C)(C)CN1CC[NH2+][C@H](C)[C@@H]1C 306536314 345409147 /nfs/dbraw/zinc/40/91/47/345409147.db2.gz HHIVTDTYTZMLAM-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@H]([NH3+])C[C@H](C)[N@H+]1C[C@H](C)CC1(C)C 306537383 345410442 /nfs/dbraw/zinc/41/04/42/345410442.db2.gz IKZDSGMSEPECIZ-VWYCJHECSA-N 1 1 198.354 2.233 10 0 AEAEMO C[C@H]([NH3+])C[C@H](C)[N@H+]1C[C@@H](C)CC1(C)C 306537380 345410479 /nfs/dbraw/zinc/41/04/79/345410479.db2.gz IKZDSGMSEPECIZ-DCAQKATOSA-N 1 1 198.354 2.233 10 0 AEAEMO C[C@H]([NH3+])C[C@@H](C)[N@H+]1C[C@H](C)CC1(C)C 306537382 345410580 /nfs/dbraw/zinc/41/05/80/345410580.db2.gz IKZDSGMSEPECIZ-OUAUKWLOSA-N 1 1 198.354 2.233 10 0 AEAEMO C[C@H]([NH3+])C[C@@H](C)[N@H+]1C[C@@H](C)CC1(C)C 306537381 345410656 /nfs/dbraw/zinc/41/06/56/345410656.db2.gz IKZDSGMSEPECIZ-GARJFASQSA-N 1 1 198.354 2.233 10 0 AEAEMO FCCCNc1[nH]c2ccccc2[nH+]1 306538919 345412651 /nfs/dbraw/zinc/41/26/51/345412651.db2.gz MMMUHYWHYOWDTB-UHFFFAOYSA-N 1 1 193.225 2.334 10 0 AEAEMO CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@H](C1)N2 306539647 345413818 /nfs/dbraw/zinc/41/38/18/345413818.db2.gz NOHXHGIKBWUEHJ-SDDRHHMPSA-N 1 1 196.338 2.001 10 0 AEAEMO CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@H](C1)N2 306539650 345413911 /nfs/dbraw/zinc/41/39/11/345413911.db2.gz NOHXHGIKBWUEHJ-UTUOFQBUSA-N 1 1 196.338 2.001 10 0 AEAEMO CC1(C)CC[N@@H+](Cc2cc[nH]c2)C1 306542343 345416841 /nfs/dbraw/zinc/41/68/41/345416841.db2.gz QQCKXLNYOVSSIR-UHFFFAOYSA-N 1 1 178.279 2.247 10 0 AEAEMO CC[C@@](C)([C@@H](C)N)[N@H+]1CCC(C)(C)C1 306545760 345419711 /nfs/dbraw/zinc/41/97/11/345419711.db2.gz WACJQADFLGWWEO-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@](C)([C@H](C)N)[N@H+]1CCC(C)(C)C1 306545757 345419808 /nfs/dbraw/zinc/41/98/08/345419808.db2.gz WACJQADFLGWWEO-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@](C)([C@@H](C)N)[N@H+]1CCC(C)(C)C1 306545763 345419841 /nfs/dbraw/zinc/41/98/41/345419841.db2.gz WACJQADFLGWWEO-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@](C)([C@H](C)N)[N@H+]1CCC(C)(C)C1 306545758 345419907 /nfs/dbraw/zinc/41/99/07/345419907.db2.gz WACJQADFLGWWEO-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CC1(C)C[N@H+](C2CCC2)CCS1 306546187 345420264 /nfs/dbraw/zinc/42/02/64/345420264.db2.gz HOLFVMKHYJVFSL-UHFFFAOYSA-N 1 1 185.336 2.366 10 0 AEAEMO CC(C)C[N@H+]1C[C@H](C)OCC1(C)C 306546428 345420862 /nfs/dbraw/zinc/42/08/62/345420862.db2.gz WSOANSDJCQIZME-JTQLQIEISA-N 1 1 185.311 2.142 10 0 AEAEMO CC(C)C[N@H+]1C[C@@H](C)OCC1(C)C 306546430 345421167 /nfs/dbraw/zinc/42/11/67/345421167.db2.gz WSOANSDJCQIZME-SNVBAGLBSA-N 1 1 185.311 2.142 10 0 AEAEMO C[C@@H]1CCC[N@@H+](CC2(F)CC2)C1 306548103 345422579 /nfs/dbraw/zinc/42/25/79/345422579.db2.gz NPJOXFYHDPUPBF-SECBINFHSA-N 1 1 171.259 2.220 10 0 AEAEMO CCC(=O)C[N@H+]1CCCC12CCCC2 306548661 345423671 /nfs/dbraw/zinc/42/36/71/345423671.db2.gz CXSJFFNSCNFIKW-UHFFFAOYSA-N 1 1 195.306 2.374 10 0 AEAEMO CC(C)CC[N@H+]1[C@@H](C)COC[C@H]1C 306550022 345425421 /nfs/dbraw/zinc/42/54/21/345425421.db2.gz ZFJKHIUHHKYWQQ-PHIMTYICSA-N 1 1 185.311 2.142 10 0 AEAEMO CC(C)=CC[N@H+]1CCS[C@@H](C)C1 306552390 345428377 /nfs/dbraw/zinc/42/83/77/345428377.db2.gz YDXIFWATCJJHIF-JTQLQIEISA-N 1 1 185.336 2.390 10 0 AEAEMO Cc1[nH+]ccn1COC1CCCCC1 306554654 345430173 /nfs/dbraw/zinc/43/01/73/345430173.db2.gz BVCZJOFNHPSOQG-UHFFFAOYSA-N 1 1 194.278 2.498 10 0 AEAEMO C[N@@H+](Cc1cc[nH]c1)C1CCCC1 306554889 345430727 /nfs/dbraw/zinc/43/07/27/345430727.db2.gz CHMLUAXOZBCKJO-UHFFFAOYSA-N 1 1 178.279 2.389 10 0 AEAEMO C[C@H](F)CC[N@H+]1C[C@@H](C)C[C@H]1C 306556873 345432014 /nfs/dbraw/zinc/43/20/14/345432014.db2.gz ILRHCRPQKOIJGT-LPEHRKFASA-N 1 1 173.275 2.465 10 0 AEAEMO C[C@H](F)CC[N@H+]1C[C@@H](C)C[C@@H]1C 306556871 345432176 /nfs/dbraw/zinc/43/21/76/345432176.db2.gz ILRHCRPQKOIJGT-GUBZILKMSA-N 1 1 173.275 2.465 10 0 AEAEMO C[C@H](F)CC[N@H+]1C[C@H](C)C[C@@H]1C 306556874 345432339 /nfs/dbraw/zinc/43/23/39/345432339.db2.gz ILRHCRPQKOIJGT-UTLUCORTSA-N 1 1 173.275 2.465 10 0 AEAEMO C[C@H](F)CC[N@H+]1C[C@H](C)C[C@H]1C 306556872 345432428 /nfs/dbraw/zinc/43/24/28/345432428.db2.gz ILRHCRPQKOIJGT-KXUCPTDWSA-N 1 1 173.275 2.465 10 0 AEAEMO CC(C)C1([N@H+]2CCC(=O)C[C@H]2C)CC1 306557425 345432958 /nfs/dbraw/zinc/43/29/58/345432958.db2.gz IZTBCQKCQISJCF-SNVBAGLBSA-N 1 1 195.306 2.228 10 0 AEAEMO CC(C)C1([N@H+]2CCC(=O)C[C@@H]2C)CC1 306557424 345433022 /nfs/dbraw/zinc/43/30/22/345433022.db2.gz IZTBCQKCQISJCF-JTQLQIEISA-N 1 1 195.306 2.228 10 0 AEAEMO CC(C)[C@@H](N)C[N@H+]1C[C@@H](C)CC1(C)C 306557965 345433388 /nfs/dbraw/zinc/43/33/88/345433388.db2.gz OMPYOHVOSSRLHJ-QWRGUYRKSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@H](N)C[N@H+]1C[C@@H](C)CC1(C)C 306557966 345433423 /nfs/dbraw/zinc/43/34/23/345433423.db2.gz OMPYOHVOSSRLHJ-WDEREUQCSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@@H](N)C[N@H+]1C[C@H](C)CC1(C)C 306557964 345433533 /nfs/dbraw/zinc/43/35/33/345433533.db2.gz OMPYOHVOSSRLHJ-MNOVXSKESA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@H](N)C[N@H+]1C[C@H](C)CC1(C)C 306557963 345433619 /nfs/dbraw/zinc/43/36/19/345433619.db2.gz OMPYOHVOSSRLHJ-GHMZBOCLSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[N@@H+]([C@H]1CCC[C@H](O)C1)C(C)(C)C 306558123 345433835 /nfs/dbraw/zinc/43/38/35/345433835.db2.gz JVPZFTGXIPSITH-QWRGUYRKSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[N@@H+]([C@@H]1CCC[C@@H](O)C1)C(C)(C)C 306558121 345433930 /nfs/dbraw/zinc/43/39/30/345433930.db2.gz JVPZFTGXIPSITH-GHMZBOCLSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[N@@H+]([C@@H]1CCC[C@H](O)C1)C(C)(C)C 306558122 345433985 /nfs/dbraw/zinc/43/39/85/345433985.db2.gz JVPZFTGXIPSITH-MNOVXSKESA-N 1 1 199.338 2.410 10 0 AEAEMO CC[C@@H](O)C[N@H+]1CC[C@H]2CCCC[C@H]21 306560375 345436318 /nfs/dbraw/zinc/43/63/18/345436318.db2.gz MHDADFXRDDMKPI-IJLUTSLNSA-N 1 1 197.322 2.022 10 0 AEAEMO CC1(C)CC[C@@H]1Nc1ccc(N)[nH+]c1 306560861 345436622 /nfs/dbraw/zinc/43/66/22/345436622.db2.gz MYHVGTYYPLUAJA-VIFPVBQESA-N 1 1 191.278 2.264 10 0 AEAEMO CC1(C)CC[C@H]1Nc1ccc(N)[nH+]c1 306560859 345436679 /nfs/dbraw/zinc/43/66/79/345436679.db2.gz MYHVGTYYPLUAJA-SECBINFHSA-N 1 1 191.278 2.264 10 0 AEAEMO CCCC1([N@H+]2CC[C@@H]([NH3+])C[C@H]2C)CC1 306561748 345437838 /nfs/dbraw/zinc/43/78/38/345437838.db2.gz NTCVCDIVFYORSL-GHMZBOCLSA-N 1 1 196.338 2.131 10 0 AEAEMO CCCC1([N@H+]2CC[C@H]([NH3+])C[C@H]2C)CC1 306561749 345437862 /nfs/dbraw/zinc/43/78/62/345437862.db2.gz NTCVCDIVFYORSL-MNOVXSKESA-N 1 1 196.338 2.131 10 0 AEAEMO C[C@@H](c1cncs1)[N@@H+](C)C1CC1 306562859 345438598 /nfs/dbraw/zinc/43/85/98/345438598.db2.gz UWELYVMIIWOHSS-ZETCQYMHSA-N 1 1 182.292 2.298 10 0 AEAEMO C[C@H](c1cncs1)[N@@H+](C)C1CC1 306562858 345438671 /nfs/dbraw/zinc/43/86/71/345438671.db2.gz UWELYVMIIWOHSS-SSDOTTSWSA-N 1 1 182.292 2.298 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCC[C@]12CCOC2 306563271 345438856 /nfs/dbraw/zinc/43/88/56/345438856.db2.gz VPJRDQVEJKVZHM-GHMZBOCLSA-N 1 1 183.295 2.040 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCC[C@@]12CCOC2 306563272 345438891 /nfs/dbraw/zinc/43/88/91/345438891.db2.gz VPJRDQVEJKVZHM-MNOVXSKESA-N 1 1 183.295 2.040 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC[C@@]12CCOC2 306563273 345438904 /nfs/dbraw/zinc/43/89/04/345438904.db2.gz VPJRDQVEJKVZHM-QWRGUYRKSA-N 1 1 183.295 2.040 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC[C@]12CCOC2 306563274 345439213 /nfs/dbraw/zinc/43/92/13/345439213.db2.gz VPJRDQVEJKVZHM-WDEREUQCSA-N 1 1 183.295 2.040 10 0 AEAEMO CCC(C)(C)CN1C[C@@H](C)[NH2+][C@H](C)C1 306563685 345439535 /nfs/dbraw/zinc/43/95/35/345439535.db2.gz VXGNIQWFYUDOBC-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(C)(C)C[N@H+]1C[C@H](C)N[C@H](C)C1 306563686 345439641 /nfs/dbraw/zinc/43/96/41/345439641.db2.gz VXGNIQWFYUDOBC-PHIMTYICSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(C)(C)CN1C[C@H](C)[NH2+][C@H](C)C1 306563686 345439642 /nfs/dbraw/zinc/43/96/42/345439642.db2.gz VXGNIQWFYUDOBC-PHIMTYICSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)C(C)(C)C1 306565131 345441048 /nfs/dbraw/zinc/44/10/48/345441048.db2.gz XHWQSOBMYSLUJD-GMTAPVOTSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@H]([NH3+])CN(C)[C@@H]1CCC[C@H](C)CC1 306564885 345441121 /nfs/dbraw/zinc/44/11/21/345441121.db2.gz QQPVFAZHKPSSTG-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]([NH3+])CN(C)[C@H]1CCC[C@@H](C)CC1 306564888 345441208 /nfs/dbraw/zinc/44/12/08/345441208.db2.gz QQPVFAZHKPSSTG-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]([NH3+])CN(C)[C@H]1CCC[C@H](C)CC1 306564887 345441263 /nfs/dbraw/zinc/44/12/63/345441263.db2.gz QQPVFAZHKPSSTG-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[C@H]1CCCC[N@H+]1C(C)(C)CO 306567508 345444210 /nfs/dbraw/zinc/44/42/10/345444210.db2.gz ZYRCLUXIAQUPPW-LLVKDONJSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H]1CC[C@@H](C)[N@H+](C(C)(C)CO)C1 306567488 345444134 /nfs/dbraw/zinc/44/41/34/345444134.db2.gz ZXMKNCDFBNRACQ-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H]1CC[N@H+]1Cc1ccccn1 306567612 345444158 /nfs/dbraw/zinc/44/41/58/345444158.db2.gz CEWCJIVOSMFXLI-NSHDSACASA-N 1 1 176.263 2.066 10 0 AEAEMO CC[C@H]1CC[C@@H](C)[N@H+](C(C)(C)CO)C1 306567489 345444177 /nfs/dbraw/zinc/44/41/77/345444177.db2.gz ZXMKNCDFBNRACQ-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H]1CC[C@H](C)[N@H+](C(C)(C)CO)C1 306567490 345444219 /nfs/dbraw/zinc/44/42/19/345444219.db2.gz ZXMKNCDFBNRACQ-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[C@@H]1CCCC[N@H+]1C(C)(C)CO 306567509 345444241 /nfs/dbraw/zinc/44/42/41/345444241.db2.gz ZYRCLUXIAQUPPW-NSHDSACASA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H]1CC[N@H+]1Cc1ccccn1 306567607 345444347 /nfs/dbraw/zinc/44/43/47/345444347.db2.gz CEWCJIVOSMFXLI-LLVKDONJSA-N 1 1 176.263 2.066 10 0 AEAEMO C[C@@H]1CC[N@@H+](CC2(F)CC2)C[C@@H]1C 306567881 345444661 /nfs/dbraw/zinc/44/46/61/345444661.db2.gz IMCKZDWFLJAUKW-ZJUUUORDSA-N 1 1 185.286 2.466 10 0 AEAEMO C[C@@H]1C[N@H+](CC2(F)CC2)CC[C@H]1C 306567875 345444784 /nfs/dbraw/zinc/44/47/84/345444784.db2.gz IMCKZDWFLJAUKW-NXEZZACHSA-N 1 1 185.286 2.466 10 0 AEAEMO C[C@H]1CC[N@@H+](CC2(F)CC2)C[C@@H]1C 306567877 345444943 /nfs/dbraw/zinc/44/49/43/345444943.db2.gz IMCKZDWFLJAUKW-UWVGGRQHSA-N 1 1 185.286 2.466 10 0 AEAEMO C[C@H]1CO[C@H](C)C[N@H+]1CC(C)(C)C 306568807 345445346 /nfs/dbraw/zinc/44/53/46/345445346.db2.gz JRTWAKKKIIBJND-VHSXEESVSA-N 1 1 185.311 2.142 10 0 AEAEMO C[C@H]1C[N@@H+](CC(C)(C)C)[C@H](C)CO1 306568808 345445422 /nfs/dbraw/zinc/44/54/22/345445422.db2.gz JRTWAKKKIIBJND-ZJUUUORDSA-N 1 1 185.311 2.142 10 0 AEAEMO CC1=CCC[N@@H+](Cc2ccc[nH]2)C1 306568604 345445450 /nfs/dbraw/zinc/44/54/50/345445450.db2.gz JKDDNSGUISXDSS-UHFFFAOYSA-N 1 1 176.263 2.167 10 0 AEAEMO C[C@H]1C[N@@H+](CC(C)(C)C)[C@@H](C)CO1 306568806 345445531 /nfs/dbraw/zinc/44/55/31/345445531.db2.gz JRTWAKKKIIBJND-UWVGGRQHSA-N 1 1 185.311 2.142 10 0 AEAEMO CCc1[nH+]c(N)[nH]c1[C@@H]1CC1(C)C 306574081 345451402 /nfs/dbraw/zinc/45/14/02/345451402.db2.gz IOWCCRWXBKFQSX-LURJTMIESA-N 1 1 179.267 2.068 10 0 AEAEMO CCc1[nH+]c(N)[nH]c1[C@H]1CC1(C)C 306574082 345451519 /nfs/dbraw/zinc/45/15/19/345451519.db2.gz IOWCCRWXBKFQSX-ZCFIWIBFSA-N 1 1 179.267 2.068 10 0 AEAEMO Cc1c[nH]c(N2CCCC2(C)C)[nH+]1 306575225 345452272 /nfs/dbraw/zinc/45/22/72/345452272.db2.gz JCDUKWDWYXRLCF-UHFFFAOYSA-N 1 1 179.267 2.097 10 0 AEAEMO CC[C@@]1(C)CC[N@H+]([C@H]2CCCC2=O)C1 306579275 345456176 /nfs/dbraw/zinc/45/61/76/345456176.db2.gz MWEDNMFATBGJPB-JQWIXIFHSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@]1(C)CC[N@H+]([C@H]2CCCC2=O)C1 306579274 345456359 /nfs/dbraw/zinc/45/63/59/345456359.db2.gz MWEDNMFATBGJPB-CMPLNLGQSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@@]1(C)CC[N@H+]([C@@H]2CCCC2=O)C1 306579276 345456381 /nfs/dbraw/zinc/45/63/81/345456381.db2.gz MWEDNMFATBGJPB-PWSUYJOCSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@]1(C)CC[N@H+]([C@@H]2CCCC2=O)C1 306579277 345456399 /nfs/dbraw/zinc/45/63/99/345456399.db2.gz MWEDNMFATBGJPB-ZYHUDNBSSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1Cc1cncs1 306578808 345456645 /nfs/dbraw/zinc/45/66/45/345456645.db2.gz WLDPKPIUTPKFBL-OCAPTIKFSA-N 1 1 182.292 2.126 10 0 AEAEMO C[C@@H]([NH2+]N1CCCCC1)[C@H]1CC1(C)C 306581423 345458890 /nfs/dbraw/zinc/45/88/90/345458890.db2.gz PTPTXJFTCBUWGS-GHMZBOCLSA-N 1 1 196.338 2.412 10 0 AEAEMO C[C@H]([NH2+]N1CCCCC1)[C@H]1CC1(C)C 306581426 345458961 /nfs/dbraw/zinc/45/89/61/345458961.db2.gz PTPTXJFTCBUWGS-WDEREUQCSA-N 1 1 196.338 2.412 10 0 AEAEMO CCCN(C)c1cccc(C)[nH+]1 306581824 345458971 /nfs/dbraw/zinc/45/89/71/345458971.db2.gz BMIGNBDQWJVTPF-UHFFFAOYSA-N 1 1 164.252 2.236 10 0 AEAEMO C[C@H]([NH2+]N1CCCCC1)[C@@H]1CC1(C)C 306581425 345458975 /nfs/dbraw/zinc/45/89/75/345458975.db2.gz PTPTXJFTCBUWGS-QWRGUYRKSA-N 1 1 196.338 2.412 10 0 AEAEMO C[C@@H]([NH2+]N1CCCCC1)[C@@H]1CC1(C)C 306581424 345458991 /nfs/dbraw/zinc/45/89/91/345458991.db2.gz PTPTXJFTCBUWGS-MNOVXSKESA-N 1 1 196.338 2.412 10 0 AEAEMO CCC1(Nc2ccc[nH+]c2N)CC1 306584979 345461920 /nfs/dbraw/zinc/46/19/20/345461920.db2.gz HAOZYKWFIGVVST-UHFFFAOYSA-N 1 1 177.251 2.018 10 0 AEAEMO CC(=O)CC[N@H+]1CCC2(CCCC2)C1 306585826 345462493 /nfs/dbraw/zinc/46/24/93/345462493.db2.gz IEVXSURPMWNYOL-UHFFFAOYSA-N 1 1 195.306 2.232 10 0 AEAEMO Cc1[nH+]c(N)ccc1-c1ccns1 306586846 345464070 /nfs/dbraw/zinc/46/40/70/345464070.db2.gz RQSKPQCCSHGYMP-UHFFFAOYSA-N 1 1 191.259 2.096 10 0 AEAEMO CO[C@H](C)[C@H](C)[N@H+]1CCC(C)(C)C1 306593027 345470182 /nfs/dbraw/zinc/47/01/82/345470182.db2.gz DLVVBTJMIVUYRQ-VHSXEESVSA-N 1 1 185.311 2.142 10 0 AEAEMO CO[C@H](C)[C@@H](C)[N@H+]1CCC(C)(C)C1 306593019 345470199 /nfs/dbraw/zinc/47/01/99/345470199.db2.gz DLVVBTJMIVUYRQ-NXEZZACHSA-N 1 1 185.311 2.142 10 0 AEAEMO CO[C@@H](C)[C@@H](C)[N@H+]1CCC(C)(C)C1 306593030 345470323 /nfs/dbraw/zinc/47/03/23/345470323.db2.gz DLVVBTJMIVUYRQ-ZJUUUORDSA-N 1 1 185.311 2.142 10 0 AEAEMO CO[C@@H](C)[C@H](C)[N@H+]1CCC(C)(C)C1 306593022 345470413 /nfs/dbraw/zinc/47/04/13/345470413.db2.gz DLVVBTJMIVUYRQ-UWVGGRQHSA-N 1 1 185.311 2.142 10 0 AEAEMO CCCC1(Nc2ccc(N)c[nH+]2)CC1 306594671 345471916 /nfs/dbraw/zinc/47/19/16/345471916.db2.gz JWHWALXUEQZWHK-UHFFFAOYSA-N 1 1 191.278 2.408 10 0 AEAEMO Cc1cc(N)[nH+]cc1-c1ccns1 306596739 345472927 /nfs/dbraw/zinc/47/29/27/345472927.db2.gz YXNLBPXJMFJXTR-UHFFFAOYSA-N 1 1 191.259 2.096 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@@H+](CC2(F)CC2)C1 306598572 345474410 /nfs/dbraw/zinc/47/44/10/345474410.db2.gz GGXYGLMKCMROTD-DTWKUNHWSA-N 1 1 171.259 2.219 10 0 AEAEMO C[C@@H]1C[C@@H](C)[N@@H+](CC2(F)CC2)C1 306598574 345474486 /nfs/dbraw/zinc/47/44/86/345474486.db2.gz GGXYGLMKCMROTD-RKDXNWHRSA-N 1 1 171.259 2.219 10 0 AEAEMO C[C@H]1C[C@@H](C)C[N@@H+]1CC1(F)CC1 306598571 345474671 /nfs/dbraw/zinc/47/46/71/345474671.db2.gz GGXYGLMKCMROTD-BDAKNGLRSA-N 1 1 171.259 2.219 10 0 AEAEMO C[C@H]1C[C@H](C)[N@@H+](CC2(F)CC2)C1 306598573 345474750 /nfs/dbraw/zinc/47/47/50/345474750.db2.gz GGXYGLMKCMROTD-IUCAKERBSA-N 1 1 171.259 2.219 10 0 AEAEMO C[C@H]1CCC[N@H+](CC(F)F)CC1 306602836 345478335 /nfs/dbraw/zinc/47/83/35/345478335.db2.gz WSDBEUQSMUVDOT-QMMMGPOBSA-N 1 1 177.238 2.374 10 0 AEAEMO C[C@H]1CCC[N@@H+](CC(F)F)CC1 306602836 345478337 /nfs/dbraw/zinc/47/83/37/345478337.db2.gz WSDBEUQSMUVDOT-QMMMGPOBSA-N 1 1 177.238 2.374 10 0 AEAEMO C[N@@H+](C1CCC1)C1CCSCC1 306603059 345478355 /nfs/dbraw/zinc/47/83/55/345478355.db2.gz MAXZPKDPKZLOCY-UHFFFAOYSA-N 1 1 185.336 2.366 10 0 AEAEMO C[C@@H]1CCC[N@H+](CC(F)F)CC1 306602835 345478849 /nfs/dbraw/zinc/47/88/49/345478849.db2.gz WSDBEUQSMUVDOT-MRVPVSSYSA-N 1 1 177.238 2.374 10 0 AEAEMO C[C@@H]1CCC[N@@H+](CC(F)F)CC1 306602835 345478852 /nfs/dbraw/zinc/47/88/52/345478852.db2.gz WSDBEUQSMUVDOT-MRVPVSSYSA-N 1 1 177.238 2.374 10 0 AEAEMO CSC[C@H]1CC[N@H+](C2CCC2)C1 306603949 345479773 /nfs/dbraw/zinc/47/97/73/345479773.db2.gz NDKWZSUDTORWHY-VIFPVBQESA-N 1 1 185.336 2.224 10 0 AEAEMO C[C@@H](CO)[N@H+]1CCC[C@@H]1C1CCCC1 306614309 345487432 /nfs/dbraw/zinc/48/74/32/345487432.db2.gz LWEUFIMNYGQKCZ-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H](CO)[N@H+]1CCC[C@@H]1C1CCCC1 306614312 345487547 /nfs/dbraw/zinc/48/75/47/345487547.db2.gz LWEUFIMNYGQKCZ-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H](CO)[N@H+]1CCC[C@H]1C1CCCC1 306614310 345487755 /nfs/dbraw/zinc/48/77/55/345487755.db2.gz LWEUFIMNYGQKCZ-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H](CO)[N@H+]1CCC[C@H]1C1CCCC1 306614311 345487812 /nfs/dbraw/zinc/48/78/12/345487812.db2.gz LWEUFIMNYGQKCZ-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO C/C=C/C[N@H+]1CC[C@@H](C(F)F)C1 306616745 345490356 /nfs/dbraw/zinc/49/03/56/345490356.db2.gz PHDZZSQSNVUBJR-UFUPEUMYSA-N 1 1 175.222 2.150 10 0 AEAEMO C/C=C/C[N@H+]1CC[C@H](C(F)F)C1 306616744 345490499 /nfs/dbraw/zinc/49/04/99/345490499.db2.gz PHDZZSQSNVUBJR-SGJFDWMWSA-N 1 1 175.222 2.150 10 0 AEAEMO C/C=C/C[N@@H+](C)C1CCCC1 306617819 345491000 /nfs/dbraw/zinc/49/10/00/345491000.db2.gz RLRQWZOYDYXMJU-ONEGZZNKSA-N 1 1 153.269 2.437 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1Cc1ccn(C)c1 306617575 345491370 /nfs/dbraw/zinc/49/13/70/345491370.db2.gz QTFTXIRPPXXHCQ-AOOOYVTPSA-N 1 1 178.279 2.008 10 0 AEAEMO C[C@H]([NH3+])c1cnc(C2CCCC2)[nH]1 306622070 345494240 /nfs/dbraw/zinc/49/42/40/345494240.db2.gz CIEBMRUYGADDEX-ZETCQYMHSA-N 1 1 179.267 2.087 10 0 AEAEMO C[C@@H]([NH3+])c1cnc(C2CCCC2)[nH]1 306622068 345494419 /nfs/dbraw/zinc/49/44/19/345494419.db2.gz CIEBMRUYGADDEX-SSDOTTSWSA-N 1 1 179.267 2.087 10 0 AEAEMO CN(c1[nH]cc[nH+]1)C1CC(C)(C)C1 306625922 345497531 /nfs/dbraw/zinc/49/75/31/345497531.db2.gz HINMLQIYLMACGR-UHFFFAOYSA-N 1 1 179.267 2.035 10 0 AEAEMO C[N@@H+](C1CC(C)(C)C1)[C@@H]1CC[C@@H](O)C1 306627384 345498560 /nfs/dbraw/zinc/49/85/60/345498560.db2.gz ITLPGHIOXLYCCJ-MWLCHTKSSA-N 1 1 197.322 2.020 10 0 AEAEMO C[N@@H+](C1CC(C)(C)C1)[C@@H]1CC[C@H](O)C1 306627382 345498648 /nfs/dbraw/zinc/49/86/48/345498648.db2.gz ITLPGHIOXLYCCJ-KOLCDFICSA-N 1 1 197.322 2.020 10 0 AEAEMO C[N@@H+](C1CC(C)(C)C1)[C@H]1CC[C@H](O)C1 306627387 345498748 /nfs/dbraw/zinc/49/87/48/345498748.db2.gz ITLPGHIOXLYCCJ-ONGXEEELSA-N 1 1 197.322 2.020 10 0 AEAEMO C[N@@H+](C1CC(C)(C)C1)[C@H]1CC[C@@H](O)C1 306627379 345498870 /nfs/dbraw/zinc/49/88/70/345498870.db2.gz ITLPGHIOXLYCCJ-GXSJLCMTSA-N 1 1 197.322 2.020 10 0 AEAEMO Cc1ncc(C[N@H+]2[C@@H](C)C[C@H]2C)s1 306630655 345500921 /nfs/dbraw/zinc/50/09/21/345500921.db2.gz KTCMVVIAEGAXKC-OCAPTIKFSA-N 1 1 196.319 2.434 10 0 AEAEMO C[N@@H+]([C@H]1CCC(C)(C)[C@H]1N)C(C)(C)C 306635627 345503680 /nfs/dbraw/zinc/50/36/80/345503680.db2.gz AMKUETDYIFUERK-UWVGGRQHSA-N 1 1 198.354 2.233 10 0 AEAEMO C[N@@H+]([C@@H]1CCC(C)(C)[C@@H]1N)C(C)(C)C 306635623 345503877 /nfs/dbraw/zinc/50/38/77/345503877.db2.gz AMKUETDYIFUERK-NXEZZACHSA-N 1 1 198.354 2.233 10 0 AEAEMO C[N@@H+]([C@H]1CCC(C)(C)[C@@H]1N)C(C)(C)C 306635633 345503914 /nfs/dbraw/zinc/50/39/14/345503914.db2.gz AMKUETDYIFUERK-VHSXEESVSA-N 1 1 198.354 2.233 10 0 AEAEMO C[N@@H+]([C@@H]1CCC(C)(C)[C@H]1N)C(C)(C)C 306635636 345503917 /nfs/dbraw/zinc/50/39/17/345503917.db2.gz AMKUETDYIFUERK-ZJUUUORDSA-N 1 1 198.354 2.233 10 0 AEAEMO CC1(C)CC(Nc2ccc(N)c[nH+]2)C1 306637037 345505011 /nfs/dbraw/zinc/50/50/11/345505011.db2.gz BAZGBMCWFPSSDF-UHFFFAOYSA-N 1 1 191.278 2.264 10 0 AEAEMO C[C@H]1CC[C@](CN)([N@@H+](C)C(C)(C)C)C1 306637617 345505892 /nfs/dbraw/zinc/50/58/92/345505892.db2.gz BPKBDFGDBBDYLR-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]1CC[C@](CN)([N@@H+](C)C(C)(C)C)C1 306637619 345505923 /nfs/dbraw/zinc/50/59/23/345505923.db2.gz BPKBDFGDBBDYLR-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]1CC[C@@](CN)([N@@H+](C)C(C)(C)C)C1 306637622 345506067 /nfs/dbraw/zinc/50/60/67/345506067.db2.gz BPKBDFGDBBDYLR-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]1CC[C@@](CN)([N@@H+](C)C(C)(C)C)C1 306637614 345506089 /nfs/dbraw/zinc/50/60/89/345506089.db2.gz BPKBDFGDBBDYLR-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO CC1CCC([N@@H+]2C[C@@H](O)C[C@@H]2C)CC1 306641218 345509315 /nfs/dbraw/zinc/50/93/15/345509315.db2.gz QGLIFAYVOGJTAE-ADPBJBESSA-N 1 1 197.322 2.020 10 0 AEAEMO CC1CCC([N@@H+]2C[C@@H](O)C[C@H]2C)CC1 306641233 345509342 /nfs/dbraw/zinc/50/93/42/345509342.db2.gz QGLIFAYVOGJTAE-RSJDFQLWSA-N 1 1 197.322 2.020 10 0 AEAEMO CC1CCC([N@@H+]2C[C@H](O)C[C@H]2C)CC1 306641242 345509536 /nfs/dbraw/zinc/50/95/36/345509536.db2.gz QGLIFAYVOGJTAE-RUJICJSRSA-N 1 1 197.322 2.020 10 0 AEAEMO CC1CCC([N@@H+]2C[C@H](O)C[C@@H]2C)CC1 306641225 345509541 /nfs/dbraw/zinc/50/95/41/345509541.db2.gz QGLIFAYVOGJTAE-POSLAHMBSA-N 1 1 197.322 2.020 10 0 AEAEMO CC[C@H]1CCC[C@H]1[NH+]1CC(F)C1 306643678 345512118 /nfs/dbraw/zinc/51/21/18/345512118.db2.gz XLBFDLCWDUXNOK-WCBMZHEXSA-N 1 1 171.259 2.219 10 0 AEAEMO CC[C@@H]1CCC[C@@H]1[NH+]1CC(F)C1 306643677 345512184 /nfs/dbraw/zinc/51/21/84/345512184.db2.gz XLBFDLCWDUXNOK-SCZZXKLOSA-N 1 1 171.259 2.219 10 0 AEAEMO CC[C@H]1CCC[C@@H]1[NH+]1CC(F)C1 306643679 345512247 /nfs/dbraw/zinc/51/22/47/345512247.db2.gz XLBFDLCWDUXNOK-WPRPVWTQSA-N 1 1 171.259 2.219 10 0 AEAEMO CC[C@@H]1CCC[C@H]1[NH+]1CC(F)C1 306643676 345512337 /nfs/dbraw/zinc/51/23/37/345512337.db2.gz XLBFDLCWDUXNOK-PSASIEDQSA-N 1 1 171.259 2.219 10 0 AEAEMO CC(C)(C)C(C)(C)[N@H+]1CC[C@H](CO)C1 306647380 345516042 /nfs/dbraw/zinc/51/60/42/345516042.db2.gz GHEUZQGXHFANIM-JTQLQIEISA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)(C)C(C)(C)[N@H+]1CC[C@@H](CO)C1 306647389 345516067 /nfs/dbraw/zinc/51/60/67/345516067.db2.gz GHEUZQGXHFANIM-SNVBAGLBSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H]1[C@H](C)CCCN1c1[nH]cc[nH+]1 306665037 345528446 /nfs/dbraw/zinc/52/84/46/345528446.db2.gz STEUJRLGLHVMAZ-BDAKNGLRSA-N 1 1 179.267 2.035 10 0 AEAEMO C[C@@H]1CCCN(c2[nH]cc[nH+]2)[C@@H]1C 306665128 345528999 /nfs/dbraw/zinc/52/89/99/345528999.db2.gz STEUJRLGLHVMAZ-RKDXNWHRSA-N 1 1 179.267 2.035 10 0 AEAEMO C[C@H]1CCCN(c2[nH]cc[nH+]2)[C@H]1C 306665127 345529009 /nfs/dbraw/zinc/52/90/09/345529009.db2.gz STEUJRLGLHVMAZ-IUCAKERBSA-N 1 1 179.267 2.035 10 0 AEAEMO C[C@H]1CCCN(c2[nH]cc[nH+]2)[C@@H]1C 306665126 345529014 /nfs/dbraw/zinc/52/90/14/345529014.db2.gz STEUJRLGLHVMAZ-DTWKUNHWSA-N 1 1 179.267 2.035 10 0 AEAEMO Cc1cc(N)[nH+]cc1-c1cscn1 306666070 345529742 /nfs/dbraw/zinc/52/97/42/345529742.db2.gz UUSADOURQCDRBL-UHFFFAOYSA-N 1 1 191.259 2.096 10 0 AEAEMO C[N@@H+](C1CCCC1)[C@H]1CCC[C@@]1(C)O 306669521 345531724 /nfs/dbraw/zinc/53/17/24/345531724.db2.gz LFLJAMNXCGZARC-NWDGAFQWSA-N 1 1 197.322 2.164 10 0 AEAEMO C[N@@H+](C1CCCC1)[C@H]1CCC[C@]1(C)O 306669522 345531819 /nfs/dbraw/zinc/53/18/19/345531819.db2.gz LFLJAMNXCGZARC-RYUDHWBXSA-N 1 1 197.322 2.164 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CCC[C@@H](CO)CC1 306669470 345531830 /nfs/dbraw/zinc/53/18/30/345531830.db2.gz LCTFVGRLVUDOCR-NWDGAFQWSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CCC[C@H](CO)CC1 306669471 345531832 /nfs/dbraw/zinc/53/18/32/345531832.db2.gz LCTFVGRLVUDOCR-RYUDHWBXSA-N 1 1 199.338 2.125 10 0 AEAEMO C[N@@H+](C1CCCC1)[C@@H]1CCC[C@]1(C)O 306669520 345531838 /nfs/dbraw/zinc/53/18/38/345531838.db2.gz LFLJAMNXCGZARC-NEPJUHHUSA-N 1 1 197.322 2.164 10 0 AEAEMO CC(C)[C@@H](C)[N@H+]1CCC[C@H](CO)CC1 306669469 345531853 /nfs/dbraw/zinc/53/18/53/345531853.db2.gz LCTFVGRLVUDOCR-NEPJUHHUSA-N 1 1 199.338 2.125 10 0 AEAEMO C[N@@H+](C1CCCC1)[C@@H]1CCC[C@@]1(C)O 306669523 345531908 /nfs/dbraw/zinc/53/19/08/345531908.db2.gz LFLJAMNXCGZARC-VXGBXAGGSA-N 1 1 197.322 2.164 10 0 AEAEMO CC(C)[C@@H](C)[N@H+]1CCC[C@@H](CO)CC1 306669472 345531931 /nfs/dbraw/zinc/53/19/31/345531931.db2.gz LCTFVGRLVUDOCR-VXGBXAGGSA-N 1 1 199.338 2.125 10 0 AEAEMO C/C=C/C[N@H+]1C[C@H](C)OC(C)(C)C1 306673673 345535010 /nfs/dbraw/zinc/53/50/10/345535010.db2.gz OFDIBCQJLLWXGG-PORFMDCZSA-N 1 1 183.295 2.062 10 0 AEAEMO C/C=C/C[N@H+]1C[C@@H](C)OC(C)(C)C1 306673672 345535189 /nfs/dbraw/zinc/53/51/89/345535189.db2.gz OFDIBCQJLLWXGG-BRAIEQGRSA-N 1 1 183.295 2.062 10 0 AEAEMO CC[C@H](C)[N@H+]1CCCC[C@@H]1[C@@H](C)O 306674286 345536156 /nfs/dbraw/zinc/53/61/56/345536156.db2.gz QBJNUULDVHVLKL-HBNTYKKESA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@H](C)[N@H+]1CCCC[C@H]1[C@H](C)O 306674284 345536196 /nfs/dbraw/zinc/53/61/96/345536196.db2.gz QBJNUULDVHVLKL-DCAQKATOSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@H](C)[N@H+]1CCCC[C@@H]1[C@H](C)O 306674285 345536277 /nfs/dbraw/zinc/53/62/77/345536277.db2.gz QBJNUULDVHVLKL-GARJFASQSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@H](C)[N@H+]1CCCC[C@H]1[C@@H](C)O 306674283 345536509 /nfs/dbraw/zinc/53/65/09/345536509.db2.gz QBJNUULDVHVLKL-AXFHLTTASA-N 1 1 185.311 2.020 10 0 AEAEMO CC(C)[C@@H](C1CCC1)[N@H+]1CCC(=O)C1 306678545 345540430 /nfs/dbraw/zinc/54/04/30/345540430.db2.gz BNJPGUFYXOPHCW-LBPRGKRZSA-N 1 1 195.306 2.086 10 0 AEAEMO CC(C)[C@H](C1CCC1)[N@H+]1CCC(=O)C1 306678544 345540596 /nfs/dbraw/zinc/54/05/96/345540596.db2.gz BNJPGUFYXOPHCW-GFCCVEGCSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[N@@H+]([C@H]1CCC[C@@H]1O)C(C)(C)C 306679983 345541428 /nfs/dbraw/zinc/54/14/28/345541428.db2.gz JLSHGNRILKESTM-UWVGGRQHSA-N 1 1 185.311 2.020 10 0 AEAEMO C[N@@H+](Cc1ccc(O)cn1)C(C)(C)C 306680077 345541563 /nfs/dbraw/zinc/54/15/63/345541563.db2.gz JPLFRFGBPBGPHF-UHFFFAOYSA-N 1 1 194.278 2.018 10 0 AEAEMO C[N@@H+]([C@@H]1CCC(C)(C)[C@H]1O)C(C)(C)C 306680076 345541669 /nfs/dbraw/zinc/54/16/69/345541669.db2.gz JPIWLANYWRQVGF-ZJUUUORDSA-N 1 1 199.338 2.266 10 0 AEAEMO C[N@@H+]([C@H]1CCC(C)(C)[C@@H]1O)C(C)(C)C 306680075 345541716 /nfs/dbraw/zinc/54/17/16/345541716.db2.gz JPIWLANYWRQVGF-VHSXEESVSA-N 1 1 199.338 2.266 10 0 AEAEMO C[N@@H+]([C@@H]1CCC(C)(C)[C@@H]1O)C(C)(C)C 306680073 345541755 /nfs/dbraw/zinc/54/17/55/345541755.db2.gz JPIWLANYWRQVGF-NXEZZACHSA-N 1 1 199.338 2.266 10 0 AEAEMO C[N@@H+]([C@H]1CCC(C)(C)[C@H]1O)C(C)(C)C 306680074 345541854 /nfs/dbraw/zinc/54/18/54/345541854.db2.gz JPIWLANYWRQVGF-UWVGGRQHSA-N 1 1 199.338 2.266 10 0 AEAEMO CC[N@@H+]([C@H]1CCC(=O)C1)C(C)(C)C 306681413 345542795 /nfs/dbraw/zinc/54/27/95/345542795.db2.gz OBCXVLYCDVMKDV-VIFPVBQESA-N 1 1 183.295 2.228 10 0 AEAEMO CC[N@@H+]([C@@H]1CCC(=O)C1)C(C)(C)C 306681412 345543092 /nfs/dbraw/zinc/54/30/92/345543092.db2.gz OBCXVLYCDVMKDV-SECBINFHSA-N 1 1 183.295 2.228 10 0 AEAEMO Cc1c[nH+]c(N(C)C(C)(C)C)c(N)c1 306683647 345545228 /nfs/dbraw/zinc/54/52/28/345545228.db2.gz WSPOEZUXPCNMHI-UHFFFAOYSA-N 1 1 193.294 2.207 10 0 AEAEMO C[N@@H+]([C@@H]1CCC[C@@]1(C)O)C(C)(C)C 306684358 345545535 /nfs/dbraw/zinc/54/55/35/345545535.db2.gz ZSRGQKVRTNQTBN-MWLCHTKSSA-N 1 1 185.311 2.020 10 0 AEAEMO C[N@@H+]([C@@H]1CCC[C@]1(C)O)C(C)(C)C 306684357 345545683 /nfs/dbraw/zinc/54/56/83/345545683.db2.gz ZSRGQKVRTNQTBN-KOLCDFICSA-N 1 1 185.311 2.020 10 0 AEAEMO C[N@@H+]([C@H]1CCC[C@]1(C)O)C(C)(C)C 306684359 345545686 /nfs/dbraw/zinc/54/56/86/345545686.db2.gz ZSRGQKVRTNQTBN-ONGXEEELSA-N 1 1 185.311 2.020 10 0 AEAEMO C[N@@H+]([C@H]1CCC[C@@]1(C)O)C(C)(C)C 306684356 345545833 /nfs/dbraw/zinc/54/58/33/345545833.db2.gz ZSRGQKVRTNQTBN-GXSJLCMTSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@H](c1ccco1)[NH+]1CCOCC1 306686036 345547041 /nfs/dbraw/zinc/54/70/41/345547041.db2.gz JTHMZLBHZWVLPZ-SNVBAGLBSA-N 1 1 195.262 2.063 10 0 AEAEMO CC[C@@H](c1ccco1)[NH+]1CCOCC1 306686035 345547109 /nfs/dbraw/zinc/54/71/09/345547109.db2.gz JTHMZLBHZWVLPZ-JTQLQIEISA-N 1 1 195.262 2.063 10 0 AEAEMO CC(C)(CO)[N@H+]1CCC2(CCCC2)C1 306700061 345555045 /nfs/dbraw/zinc/55/50/45/345555045.db2.gz FDBLUJIJICQKOI-UHFFFAOYSA-N 1 1 197.322 2.023 10 0 AEAEMO CC[C@H](C)C[N@H+]1CC[C@@](C)(F)C1 306700888 345555296 /nfs/dbraw/zinc/55/52/96/345555296.db2.gz FWPCXRXKJHEACL-VHSXEESVSA-N 1 1 173.275 2.466 10 0 AEAEMO CC[C@H](C)C[N@H+]1CC[C@](C)(F)C1 306700878 345555376 /nfs/dbraw/zinc/55/53/76/345555376.db2.gz FWPCXRXKJHEACL-UWVGGRQHSA-N 1 1 173.275 2.466 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CC[C@](C)(F)C1 306700899 345555543 /nfs/dbraw/zinc/55/55/43/345555543.db2.gz FWPCXRXKJHEACL-ZJUUUORDSA-N 1 1 173.275 2.466 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CC[C@@](C)(F)C1 306700867 345555570 /nfs/dbraw/zinc/55/55/70/345555570.db2.gz FWPCXRXKJHEACL-NXEZZACHSA-N 1 1 173.275 2.466 10 0 AEAEMO CC(C)(C)[C@H]1CCN(c2[nH]cc[nH+]2)C1 306701610 345555967 /nfs/dbraw/zinc/55/59/67/345555967.db2.gz GSUSZMVWDFGFKS-VIFPVBQESA-N 1 1 193.294 2.282 10 0 AEAEMO CC(C)(C)[C@@H]1CCN(c2[nH]cc[nH+]2)C1 306701609 345556019 /nfs/dbraw/zinc/55/60/19/345556019.db2.gz GSUSZMVWDFGFKS-SECBINFHSA-N 1 1 193.294 2.282 10 0 AEAEMO C[C@H]1CCNc2c[nH+]cc(Cl)c2N1 306702283 345556582 /nfs/dbraw/zinc/55/65/82/345556582.db2.gz ABAYFTNDBWSVAH-LURJTMIESA-N 1 1 197.669 2.351 10 0 AEAEMO CC(C)(N)C[N@H+]1CCCCC(C)(C)C1 306706070 345559455 /nfs/dbraw/zinc/55/94/55/345559455.db2.gz IXGPNEFPTNYXSK-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)([NH3+])CN1CCCCC(C)(C)C1 306706070 345559456 /nfs/dbraw/zinc/55/94/56/345559456.db2.gz IXGPNEFPTNYXSK-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO [NH3+][C@H](c1ccsc1)c1ccsn1 306709654 345562902 /nfs/dbraw/zinc/56/29/02/345562902.db2.gz PZNXEMANPDTSMO-MRVPVSSYSA-N 1 1 196.300 2.253 10 0 AEAEMO [NH3+][C@@H](c1ccsc1)c1ccsn1 306709655 345563023 /nfs/dbraw/zinc/56/30/23/345563023.db2.gz PZNXEMANPDTSMO-QMMMGPOBSA-N 1 1 196.300 2.253 10 0 AEAEMO c1c[nH+]c(N2C[C@H]3CCCC[C@H]3C2)[nH]1 306712438 345565122 /nfs/dbraw/zinc/56/51/22/345565122.db2.gz UDFJHLWGIHXKRF-AOOOYVTPSA-N 1 1 191.278 2.036 10 0 AEAEMO CC[N@@H+](C)Cc1ccc(C)nc1C 306714429 345566799 /nfs/dbraw/zinc/56/67/99/345566799.db2.gz WZQADQXEEKXGLS-UHFFFAOYSA-N 1 1 178.279 2.150 10 0 AEAEMO CCC1CCN(c2[nH]cc(C)[nH+]2)CC1 306721465 345572459 /nfs/dbraw/zinc/57/24/59/345572459.db2.gz OQKVYIKDGQOTOM-UHFFFAOYSA-N 1 1 193.294 2.345 10 0 AEAEMO C[C@H](O)[C@H](C)[N@H+]1CCCC12CCCC2 306725578 345575781 /nfs/dbraw/zinc/57/57/81/345575781.db2.gz KUVSVPVDXPOEQX-QWRGUYRKSA-N 1 1 197.322 2.164 10 0 AEAEMO C[C@@H]([C@@H](C)O)[N@H+]1CCCC12CCCC2 306725579 345576129 /nfs/dbraw/zinc/57/61/29/345576129.db2.gz KUVSVPVDXPOEQX-WDEREUQCSA-N 1 1 197.322 2.164 10 0 AEAEMO C[C@@H](O)[C@@H](C)[N@H+]1CCCC12CCCC2 306725576 345576194 /nfs/dbraw/zinc/57/61/94/345576194.db2.gz KUVSVPVDXPOEQX-GHMZBOCLSA-N 1 1 197.322 2.164 10 0 AEAEMO CC1(C)CCC[N@H+]1CCC1(O)CCC1 306726674 345576443 /nfs/dbraw/zinc/57/64/43/345576443.db2.gz IYTBDIJUOAPRRJ-UHFFFAOYSA-N 1 1 197.322 2.166 10 0 AEAEMO C[C@@H]1CNc2c[nH+]cc(Cl)c2NC1 306731401 345580361 /nfs/dbraw/zinc/58/03/61/345580361.db2.gz QSLBQKVQUVXDMY-ZCFIWIBFSA-N 1 1 197.669 2.209 10 0 AEAEMO CC1(C[N@H+]2CC[C@H](O)C2(C)C)CCC1 306737661 345584221 /nfs/dbraw/zinc/58/42/21/345584221.db2.gz ZHJFOKCSFWRVFN-JTQLQIEISA-N 1 1 197.322 2.022 10 0 AEAEMO Cc1ccc(N[C@H](C)C(F)F)[nH+]c1 306742891 345586792 /nfs/dbraw/zinc/58/67/92/345586792.db2.gz GMBQCTMAPOFIBB-SSDOTTSWSA-N 1 1 186.205 2.456 10 0 AEAEMO Cc1ccc(N[C@@H](C)C(F)F)[nH+]c1 306742892 345586961 /nfs/dbraw/zinc/58/69/61/345586961.db2.gz GMBQCTMAPOFIBB-ZETCQYMHSA-N 1 1 186.205 2.456 10 0 AEAEMO C[C@H]1CC[C@H](C)N(c2[nH]cc[nH+]2)C1 306744575 345587909 /nfs/dbraw/zinc/58/79/09/345587909.db2.gz YECZQVXHBCUYSQ-IUCAKERBSA-N 1 1 179.267 2.035 10 0 AEAEMO C[C@@H]1CC[C@@H](C)N(c2[nH]cc[nH+]2)C1 306744576 345587921 /nfs/dbraw/zinc/58/79/21/345587921.db2.gz YECZQVXHBCUYSQ-RKDXNWHRSA-N 1 1 179.267 2.035 10 0 AEAEMO C[C@H]1CC[C@@H](C)N(c2[nH]cc[nH+]2)C1 306744574 345588117 /nfs/dbraw/zinc/58/81/17/345588117.db2.gz YECZQVXHBCUYSQ-DTWKUNHWSA-N 1 1 179.267 2.035 10 0 AEAEMO C[C@H]1CC[C@@H](C)CN1c1[nH]cc[nH+]1 306744573 345588352 /nfs/dbraw/zinc/58/83/52/345588352.db2.gz YECZQVXHBCUYSQ-BDAKNGLRSA-N 1 1 179.267 2.035 10 0 AEAEMO CCC1(c2cnc([C@@H](C)[NH3+])o2)CC1 306752331 345592220 /nfs/dbraw/zinc/59/22/20/345592220.db2.gz LQMYNBUWDYOYSV-SSDOTTSWSA-N 1 1 180.251 2.136 10 0 AEAEMO CCC1(c2cnc([C@H](C)[NH3+])o2)CC1 306752334 345592247 /nfs/dbraw/zinc/59/22/47/345592247.db2.gz LQMYNBUWDYOYSV-ZETCQYMHSA-N 1 1 180.251 2.136 10 0 AEAEMO CC(C)(C)CC[N@H+]1CC[C@H](O)C1(C)C 306761345 345597257 /nfs/dbraw/zinc/59/72/57/345597257.db2.gz WYHGYZUTNSMVEP-JTQLQIEISA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)(C)CC[N@H+]1CC[C@@H](O)C1(C)C 306761346 345597252 /nfs/dbraw/zinc/59/72/52/345597252.db2.gz WYHGYZUTNSMVEP-SNVBAGLBSA-N 1 1 199.338 2.268 10 0 AEAEMO CC1=C(C)C[N@@H+](CC(C)(C)C[NH3+])CC1 306762703 345598572 /nfs/dbraw/zinc/59/85/72/345598572.db2.gz DYRAQOCCFHWVGP-UHFFFAOYSA-N 1 1 196.338 2.013 10 0 AEAEMO CC1(C)CC(Nc2[nH+]cccc2N)C1 306764425 345599784 /nfs/dbraw/zinc/59/97/84/345599784.db2.gz HFDMTWCXQHXQDS-UHFFFAOYSA-N 1 1 191.278 2.264 10 0 AEAEMO CC[C@@H]1CC[C@@H](C)[N@H+](C(C)(C)CN)C1 306765843 345600402 /nfs/dbraw/zinc/60/04/02/345600402.db2.gz AFKAZPPFVWUFHD-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]1CC[C@@H](C)[N@H+](C(C)(C)CN)C1 306765852 345600508 /nfs/dbraw/zinc/60/05/08/345600508.db2.gz AFKAZPPFVWUFHD-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]1CC[C@H](C)[N@H+](C(C)(C)CN)C1 306765858 345600745 /nfs/dbraw/zinc/60/07/45/345600745.db2.gz AFKAZPPFVWUFHD-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]1C[N@H+](C2CCC2)C[C@@H](C)S1 306766221 345601299 /nfs/dbraw/zinc/60/12/99/345601299.db2.gz WMCUYQAKHVFQLG-DTORHVGOSA-N 1 1 185.336 2.365 10 0 AEAEMO C/C=C/CNc1cc(C)[nH+]c(CC)n1 306773196 345605903 /nfs/dbraw/zinc/60/59/03/345605903.db2.gz UDEVOZBVTJMKID-GQCTYLIASA-N 1 1 191.278 2.335 10 0 AEAEMO Cc1cc[nH+]c(N)c1-c1cscn1 306780116 345609154 /nfs/dbraw/zinc/60/91/54/345609154.db2.gz IMDJUQOIYOVVMT-UHFFFAOYSA-N 1 1 191.259 2.096 10 0 AEAEMO CC1(C)CC(Nc2ccc[nH+]c2N)C1 306780662 345609422 /nfs/dbraw/zinc/60/94/22/345609422.db2.gz JFFGMYARWUIFPO-UHFFFAOYSA-N 1 1 191.278 2.264 10 0 AEAEMO C[C@@H](CN)[N@@H+](C)[C@H]1CCCC(C)(C)C1 306781910 345610795 /nfs/dbraw/zinc/61/07/95/345610795.db2.gz JYHMYVDWQGUSDX-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H](CN)[N@@H+](C)[C@@H]1CCCC(C)(C)C1 306781908 345610803 /nfs/dbraw/zinc/61/08/03/345610803.db2.gz JYHMYVDWQGUSDX-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H](CN)[N@@H+](C)[C@H]1CCCC(C)(C)C1 306781909 345610979 /nfs/dbraw/zinc/61/09/79/345610979.db2.gz JYHMYVDWQGUSDX-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H](CN)[N@@H+](C)[C@@H]1CCCC(C)(C)C1 306781911 345611013 /nfs/dbraw/zinc/61/10/13/345611013.db2.gz JYHMYVDWQGUSDX-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC1(C)CCN(c2[nH]cc[nH+]2)CC1 306784484 345611877 /nfs/dbraw/zinc/61/18/77/345611877.db2.gz MHWXHFBJWLQOHY-UHFFFAOYSA-N 1 1 179.267 2.036 10 0 AEAEMO CC1(C)CCCN(c2[nH]cc[nH+]2)C1 306784842 345612584 /nfs/dbraw/zinc/61/25/84/345612584.db2.gz MTTMPRWPLBMZOU-UHFFFAOYSA-N 1 1 179.267 2.036 10 0 AEAEMO c1nc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)cs1 306788580 345614956 /nfs/dbraw/zinc/61/49/56/345614956.db2.gz RXXDZQCDVXCPHS-SCZZXKLOSA-N 1 1 194.303 2.127 10 0 AEAEMO c1nc(C[N@H+]2CCC[C@@H]3C[C@@H]32)cs1 306788580 345614957 /nfs/dbraw/zinc/61/49/57/345614957.db2.gz RXXDZQCDVXCPHS-SCZZXKLOSA-N 1 1 194.303 2.127 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@@H](C)[C@H]1C 306790582 345616764 /nfs/dbraw/zinc/61/67/64/345616764.db2.gz WDMDIMKZKVWYII-HRDYMLBCSA-N 1 1 141.258 2.125 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@H](C)[C@H]1C 306790697 345616873 /nfs/dbraw/zinc/61/68/73/345616873.db2.gz WDMDIMKZKVWYII-XHNCKOQMSA-N 1 1 141.258 2.125 10 0 AEAEMO CC[C@@](C)([NH3+])C[N@H+]1CCC(C)=C(C)C1 306791957 345617799 /nfs/dbraw/zinc/61/77/99/345617799.db2.gz ZNMMTBVXXZRREN-GFCCVEGCSA-N 1 1 196.338 2.156 10 0 AEAEMO CC[C@@](C)([NH3+])CN1CCC(C)=C(C)C1 306791957 345617801 /nfs/dbraw/zinc/61/78/01/345617801.db2.gz ZNMMTBVXXZRREN-GFCCVEGCSA-N 1 1 196.338 2.156 10 0 AEAEMO CC[C@](C)([NH3+])C[N@H+]1CCC(C)=C(C)C1 306791958 345617977 /nfs/dbraw/zinc/61/79/77/345617977.db2.gz ZNMMTBVXXZRREN-LBPRGKRZSA-N 1 1 196.338 2.156 10 0 AEAEMO CC[C@](C)([NH3+])CN1CCC(C)=C(C)C1 306791958 345617980 /nfs/dbraw/zinc/61/79/80/345617980.db2.gz ZNMMTBVXXZRREN-LBPRGKRZSA-N 1 1 196.338 2.156 10 0 AEAEMO C[C@H](N)C[N@@H+](C)[C@H]1CC(C)(C)C[C@H]1C 306792454 345618611 /nfs/dbraw/zinc/61/86/11/345618611.db2.gz GJYYTTJDDMVNDT-VWYCJHECSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H]([NH3+])CN(C)[C@H]1CC(C)(C)C[C@H]1C 306792454 345618613 /nfs/dbraw/zinc/61/86/13/345618613.db2.gz GJYYTTJDDMVNDT-VWYCJHECSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H](N)C[N@@H+](C)[C@@H]1CC(C)(C)C[C@H]1C 306792450 345618691 /nfs/dbraw/zinc/61/86/91/345618691.db2.gz GJYYTTJDDMVNDT-OUAUKWLOSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H]([NH3+])CN(C)[C@@H]1CC(C)(C)C[C@H]1C 306792450 345618694 /nfs/dbraw/zinc/61/86/94/345618694.db2.gz GJYYTTJDDMVNDT-OUAUKWLOSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H](N)C[N@@H+](C)[C@@H]1CC(C)(C)C[C@@H]1C 306792446 345618765 /nfs/dbraw/zinc/61/87/65/345618765.db2.gz GJYYTTJDDMVNDT-GARJFASQSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H]([NH3+])CN(C)[C@@H]1CC(C)(C)C[C@@H]1C 306792446 345618768 /nfs/dbraw/zinc/61/87/68/345618768.db2.gz GJYYTTJDDMVNDT-GARJFASQSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H](N)C[N@@H+](C)[C@H]1CC(C)(C)C[C@@H]1C 306792441 345618785 /nfs/dbraw/zinc/61/87/85/345618785.db2.gz GJYYTTJDDMVNDT-DCAQKATOSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H]([NH3+])CN(C)[C@H]1CC(C)(C)C[C@@H]1C 306792441 345618788 /nfs/dbraw/zinc/61/87/88/345618788.db2.gz GJYYTTJDDMVNDT-DCAQKATOSA-N 1 1 198.354 2.090 10 0 AEAEMO C[NH2+][C@H](c1ccco1)c1cocc1C 306795099 345619657 /nfs/dbraw/zinc/61/96/57/345619657.db2.gz GHWPHXBDTTYXRX-NSHDSACASA-N 1 1 191.230 2.490 10 0 AEAEMO C[NH2+][C@@H](c1ccco1)c1cocc1C 306795098 345619683 /nfs/dbraw/zinc/61/96/83/345619683.db2.gz GHWPHXBDTTYXRX-LLVKDONJSA-N 1 1 191.230 2.490 10 0 AEAEMO CC[C@@H]1CC[N@H+]1C1CCCC1 306794834 345619690 /nfs/dbraw/zinc/61/96/90/345619690.db2.gz UDQUZLWQMWCZCC-SECBINFHSA-N 1 1 153.269 2.413 10 0 AEAEMO CC[C@H]1CC[N@H+]1C1CCCC1 306794835 345619953 /nfs/dbraw/zinc/61/99/53/345619953.db2.gz UDQUZLWQMWCZCC-VIFPVBQESA-N 1 1 153.269 2.413 10 0 AEAEMO CC[C@@H]1C[C@H](C)C[N@H+]1[C@@H]1CCC[C@H]1O 306801951 345623968 /nfs/dbraw/zinc/62/39/68/345623968.db2.gz SIJHPENKCXLJDF-IRCOFANPSA-N 1 1 197.322 2.020 10 0 AEAEMO Cc1cocc1[C@H]([NH3+])c1ccco1 306807777 345627657 /nfs/dbraw/zinc/62/76/57/345627657.db2.gz NDHOUZNMICXXCP-JTQLQIEISA-N 1 1 177.203 2.229 10 0 AEAEMO Cc1cocc1[C@@H]([NH3+])c1ccco1 306807778 345628064 /nfs/dbraw/zinc/62/80/64/345628064.db2.gz NDHOUZNMICXXCP-SNVBAGLBSA-N 1 1 177.203 2.229 10 0 AEAEMO C[C@H]([NH2+]C1CCCCCC1)[C@@H](C)N 306815851 345632985 /nfs/dbraw/zinc/63/29/85/345632985.db2.gz BCJSPTSGWCIWLA-ZJUUUORDSA-N 1 1 184.327 2.035 10 0 AEAEMO C[C@H](N)[C@@H](C)[NH2+]C1CCCCCC1 306815850 345633002 /nfs/dbraw/zinc/63/30/02/345633002.db2.gz BCJSPTSGWCIWLA-VHSXEESVSA-N 1 1 184.327 2.035 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+]C1CCCCCC1 306815849 345633037 /nfs/dbraw/zinc/63/30/37/345633037.db2.gz BCJSPTSGWCIWLA-UWVGGRQHSA-N 1 1 184.327 2.035 10 0 AEAEMO Cc1nc(C[N@@H+]2[C@@H](C)C[C@H]2C)cs1 306818044 345633321 /nfs/dbraw/zinc/63/33/21/345633321.db2.gz DXLLLJANFOEBNM-OCAPTIKFSA-N 1 1 196.319 2.434 10 0 AEAEMO Cc1nc(C[N@H+]2[C@@H](C)C[C@H]2C)cs1 306818044 345633324 /nfs/dbraw/zinc/63/33/24/345633324.db2.gz DXLLLJANFOEBNM-OCAPTIKFSA-N 1 1 196.319 2.434 10 0 AEAEMO Cc1nc(C[NH+]2[C@@H](C)C[C@@H]2C)cs1 306818045 345633529 /nfs/dbraw/zinc/63/35/29/345633529.db2.gz DXLLLJANFOEBNM-YUMQZZPRSA-N 1 1 196.319 2.434 10 0 AEAEMO Cc1nc(C[NH+]2[C@H](C)C[C@H]2C)cs1 306817679 345633569 /nfs/dbraw/zinc/63/35/69/345633569.db2.gz DXLLLJANFOEBNM-HTQZYQBOSA-N 1 1 196.319 2.434 10 0 AEAEMO Cc1occc1[C@H]([NH3+])c1cscn1 306818375 345633672 /nfs/dbraw/zinc/63/36/72/345633672.db2.gz BWSYWUKPEDWDJY-VIFPVBQESA-N 1 1 194.259 2.093 10 0 AEAEMO Cc1occc1[C@@H]([NH3+])c1cscn1 306818374 345633748 /nfs/dbraw/zinc/63/37/48/345633748.db2.gz BWSYWUKPEDWDJY-SECBINFHSA-N 1 1 194.259 2.093 10 0 AEAEMO Cc1[nH+]cc([C@@H](O)CC(C)(C)C)n1C 306823208 345637223 /nfs/dbraw/zinc/63/72/23/345637223.db2.gz PGTKAUXTESQCNM-JTQLQIEISA-N 1 1 196.294 2.198 10 0 AEAEMO Cc1[nH+]cc([C@H](O)CC(C)(C)C)n1C 306823209 345637533 /nfs/dbraw/zinc/63/75/33/345637533.db2.gz PGTKAUXTESQCNM-SNVBAGLBSA-N 1 1 196.294 2.198 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1Cc1ccncc1 306823942 345638823 /nfs/dbraw/zinc/63/88/23/345638823.db2.gz RWPNULVJOIKYFS-AOOOYVTPSA-N 1 1 176.263 2.064 10 0 AEAEMO CC[C@@H]1CCCCN1c1[nH]cc(C)[nH+]1 306833743 345646342 /nfs/dbraw/zinc/64/63/42/345646342.db2.gz OIRVVKGKDCBPSP-SNVBAGLBSA-N 1 1 193.294 2.487 10 0 AEAEMO CC[C@H]1CCCCN1c1[nH]cc(C)[nH+]1 306833741 345646448 /nfs/dbraw/zinc/64/64/48/345646448.db2.gz OIRVVKGKDCBPSP-JTQLQIEISA-N 1 1 193.294 2.487 10 0 AEAEMO C[N@@H+]([C@@H]1CCCCC1=O)C(C)(C)C 306848089 345655278 /nfs/dbraw/zinc/65/52/78/345655278.db2.gz MCILPNIMZLCIJP-SECBINFHSA-N 1 1 183.295 2.228 10 0 AEAEMO C[N@@H+]([C@H]1CCCCC1=O)C(C)(C)C 306848090 345655332 /nfs/dbraw/zinc/65/53/32/345655332.db2.gz MCILPNIMZLCIJP-VIFPVBQESA-N 1 1 183.295 2.228 10 0 AEAEMO C/C=C/C[N@H+]1C[C@@H]2CCC[C@H]21 306879596 345676173 /nfs/dbraw/zinc/67/61/73/345676173.db2.gz JRKMWWOGVZKSJY-MDCNRGEUSA-N 1 1 151.253 2.047 10 0 AEAEMO C/C=C/C[N@H+]1C[C@@H]2CCC[C@@H]21 306879594 345676209 /nfs/dbraw/zinc/67/62/09/345676209.db2.gz JRKMWWOGVZKSJY-AQHVTNBVSA-N 1 1 151.253 2.047 10 0 AEAEMO F[C@@H](C[NH+]1CCCCC1)C(F)(F)F 306885022 345681258 /nfs/dbraw/zinc/68/12/58/345681258.db2.gz QZOMUHDEOHMJOD-ZETCQYMHSA-N 1 1 199.191 2.373 10 0 AEAEMO F[C@H](C[NH+]1CCCCC1)C(F)(F)F 306885021 345681394 /nfs/dbraw/zinc/68/13/94/345681394.db2.gz QZOMUHDEOHMJOD-SSDOTTSWSA-N 1 1 199.191 2.373 10 0 AEAEMO CC[C@H](C)Nc1ccc(NC)[nH+]c1 306885661 345681854 /nfs/dbraw/zinc/68/18/54/345681854.db2.gz NZRYGQGVKZKDMQ-QMMMGPOBSA-N 1 1 179.267 2.334 10 0 AEAEMO CC[C@@H](C)Nc1ccc(NC)[nH+]c1 306885655 345682113 /nfs/dbraw/zinc/68/21/13/345682113.db2.gz NZRYGQGVKZKDMQ-MRVPVSSYSA-N 1 1 179.267 2.334 10 0 AEAEMO CCC[N@H+]1CCCC12CCOCC2 306886387 345682425 /nfs/dbraw/zinc/68/24/25/345682425.db2.gz SNIWCBKYVUPZAI-UHFFFAOYSA-N 1 1 183.295 2.041 10 0 AEAEMO C[C@H](F)CC[N@@H+]1C[C@@H](C)[C@@H](C)C1 306886629 345683148 /nfs/dbraw/zinc/68/31/48/345683148.db2.gz SUGRCGREALDRQH-AEJSXWLSSA-N 1 1 173.275 2.322 10 0 AEAEMO CCC1([N@H+]2CC[C@@H](N)C2)CCCCC1 306886616 345683276 /nfs/dbraw/zinc/68/32/76/345683276.db2.gz SSRPEWGYGJPULJ-LLVKDONJSA-N 1 1 196.338 2.132 10 0 AEAEMO CCC1([N@H+]2CC[C@H](N)C2)CCCCC1 306886617 345683435 /nfs/dbraw/zinc/68/34/35/345683435.db2.gz SSRPEWGYGJPULJ-NSHDSACASA-N 1 1 196.338 2.132 10 0 AEAEMO C[C@@H]1C[N@@H+](CC[C@@H](C)F)C[C@@H]1C 306886632 345683446 /nfs/dbraw/zinc/68/34/46/345683446.db2.gz SUGRCGREALDRQH-KXUCPTDWSA-N 1 1 173.275 2.322 10 0 AEAEMO C1CC[C@H]2[C@@H](C1)CC[N@@H+]2C1CC1 306890767 345687073 /nfs/dbraw/zinc/68/70/73/345687073.db2.gz ZIAXEANMROVCIT-ONGXEEELSA-N 1 1 165.280 2.413 10 0 AEAEMO C1CC[C@@H]2[C@H](C1)CC[N@@H+]2C1CC1 306890765 345687105 /nfs/dbraw/zinc/68/71/05/345687105.db2.gz ZIAXEANMROVCIT-MWLCHTKSSA-N 1 1 165.280 2.413 10 0 AEAEMO C1CC[C@@H]2CC[N@H+](C3CC3)[C@H]2C1 306890763 345687213 /nfs/dbraw/zinc/68/72/13/345687213.db2.gz ZIAXEANMROVCIT-KOLCDFICSA-N 1 1 165.280 2.413 10 0 AEAEMO O=C1CC[N@H+](CC2CCCCCC2)C1 306890524 345687268 /nfs/dbraw/zinc/68/72/68/345687268.db2.gz ZBDAKRLWTHGZGJ-UHFFFAOYSA-N 1 1 195.306 2.232 10 0 AEAEMO O=C1CC[N@@H+](CC2CCCCCC2)C1 306890524 345687269 /nfs/dbraw/zinc/68/72/69/345687269.db2.gz ZBDAKRLWTHGZGJ-UHFFFAOYSA-N 1 1 195.306 2.232 10 0 AEAEMO C1CC[C@@H]2[C@@H](C1)CC[N@@H+]2C1CC1 306890761 345687304 /nfs/dbraw/zinc/68/73/04/345687304.db2.gz ZIAXEANMROVCIT-GXSJLCMTSA-N 1 1 165.280 2.413 10 0 AEAEMO Cc1c[nH]c(N(C)C2CCCC2)[nH+]1 306921457 345699595 /nfs/dbraw/zinc/69/95/95/345699595.db2.gz QKCUZPMSQCRYAM-UHFFFAOYSA-N 1 1 179.267 2.097 10 0 AEAEMO CC[N@H+]1CCC[C@@]2(CCCCO2)C1 306925903 345702004 /nfs/dbraw/zinc/70/20/04/345702004.db2.gz NYCLXUVPTHLGMT-NSHDSACASA-N 1 1 183.295 2.041 10 0 AEAEMO CC[N@H+]1CCC[C@]2(CCCCO2)C1 306925902 345702009 /nfs/dbraw/zinc/70/20/09/345702009.db2.gz NYCLXUVPTHLGMT-LLVKDONJSA-N 1 1 183.295 2.041 10 0 AEAEMO C[N@@H+](CC(C)(C)O)C1(C)CCCC1 306932332 345705326 /nfs/dbraw/zinc/70/53/26/345705326.db2.gz DXFPMRAVCHDVBO-UHFFFAOYSA-N 1 1 185.311 2.022 10 0 AEAEMO Cc1nc(N[C@H]2C[C@H]2C)c(C)c(C)[nH+]1 306961297 345720579 /nfs/dbraw/zinc/72/05/79/345720579.db2.gz AGSRDIWMFNXHCV-LDWIPMOCSA-N 1 1 191.278 2.222 10 0 AEAEMO Cc1nc(N[C@@H]2C[C@@H]2C)c(C)c(C)[nH+]1 306961301 345720593 /nfs/dbraw/zinc/72/05/93/345720593.db2.gz AGSRDIWMFNXHCV-QUBYGPBYSA-N 1 1 191.278 2.222 10 0 AEAEMO CC[C@H]1CNc2c[nH+]cc(Cl)c2N1 306969249 345725276 /nfs/dbraw/zinc/72/52/76/345725276.db2.gz PFKIMLIWMUIDJC-LURJTMIESA-N 1 1 197.669 2.351 10 0 AEAEMO CC[C@@H]1CNc2c[nH+]cc(Cl)c2N1 306969250 345725379 /nfs/dbraw/zinc/72/53/79/345725379.db2.gz PFKIMLIWMUIDJC-ZCFIWIBFSA-N 1 1 197.669 2.351 10 0 AEAEMO C[NH2+][C@@H](C=C(C)C)c1coc(C)n1 306975003 345728592 /nfs/dbraw/zinc/72/85/92/345728592.db2.gz XTSBLGRBRVWHLM-VIFPVBQESA-N 1 1 180.251 2.210 10 0 AEAEMO C/C=C/CNc1cc(C)[nH+]c(C)n1 306995739 345741056 /nfs/dbraw/zinc/74/10/56/345741056.db2.gz QXYJYSOMKVWUEX-SNAWJCMRSA-N 1 1 177.251 2.081 10 0 AEAEMO C[N@@H+]([C@@H]1CCCC(=O)C1)C(C)(C)C 306997008 345741598 /nfs/dbraw/zinc/74/15/98/345741598.db2.gz UUNPKQVMVPUSCR-SECBINFHSA-N 1 1 183.295 2.228 10 0 AEAEMO C[N@@H+]([C@H]1CCCC(=O)C1)C(C)(C)C 306997009 345741647 /nfs/dbraw/zinc/74/16/47/345741647.db2.gz UUNPKQVMVPUSCR-VIFPVBQESA-N 1 1 183.295 2.228 10 0 AEAEMO C[C@@H]1C[N@@H+](C2CCSCC2)C[C@@H]1C 307002356 345744805 /nfs/dbraw/zinc/74/48/05/345744805.db2.gz CMKOJWTYXNBGGD-AOOOYVTPSA-N 1 1 199.363 2.470 10 0 AEAEMO CC(=O)CC[N@@H+]1CCCC[C@H](C)C1 307003346 345745835 /nfs/dbraw/zinc/74/58/35/345745835.db2.gz CZGJFXATVQPLFB-JTQLQIEISA-N 1 1 183.295 2.088 10 0 AEAEMO CC1(C)CNc2c[nH+]cc(Cl)c2N1 307003583 345745940 /nfs/dbraw/zinc/74/59/40/345745940.db2.gz DLQQKARASIEDAG-UHFFFAOYSA-N 1 1 197.669 2.351 10 0 AEAEMO C/C=C/CNc1ccc[nH+]c1N(C)C 307005823 345747513 /nfs/dbraw/zinc/74/75/13/345747513.db2.gz FJAVDZREZZUSLL-SNAWJCMRSA-N 1 1 191.278 2.136 10 0 AEAEMO CC1=CC[N@@H+](Cc2ccc[nH]2)CC1 307007026 345747776 /nfs/dbraw/zinc/74/77/76/345747776.db2.gz GKXNDUAWVZUNJY-UHFFFAOYSA-N 1 1 176.263 2.167 10 0 AEAEMO FCC[NH2+][C@@H]1CSc2ccccc21 307015510 345753908 /nfs/dbraw/zinc/75/39/08/345753908.db2.gz NRUIXXGVXNACEE-SECBINFHSA-N 1 1 197.278 2.393 10 0 AEAEMO FCC[NH2+][C@H]1CSc2ccccc21 307015511 345753950 /nfs/dbraw/zinc/75/39/50/345753950.db2.gz NRUIXXGVXNACEE-VIFPVBQESA-N 1 1 197.278 2.393 10 0 AEAEMO Cc1nc([C@@H](C)[NH3+])[nH]c1C(C)(C)C 307017294 345755524 /nfs/dbraw/zinc/75/55/24/345755524.db2.gz VZCSZPCPFXNJGP-ZCFIWIBFSA-N 1 1 181.283 2.035 10 0 AEAEMO Cc1nc([C@H](C)[NH3+])[nH]c1C(C)(C)C 307017292 345755568 /nfs/dbraw/zinc/75/55/68/345755568.db2.gz VZCSZPCPFXNJGP-LURJTMIESA-N 1 1 181.283 2.035 10 0 AEAEMO Cc1cccc(N[C@@H](C)C(F)F)[nH+]1 307026312 345762911 /nfs/dbraw/zinc/76/29/11/345762911.db2.gz YDMGXCWFQHWBAT-ZETCQYMHSA-N 1 1 186.205 2.456 10 0 AEAEMO Cc1cccc(N[C@H](C)C(F)F)[nH+]1 307026311 345762925 /nfs/dbraw/zinc/76/29/25/345762925.db2.gz YDMGXCWFQHWBAT-SSDOTTSWSA-N 1 1 186.205 2.456 10 0 AEAEMO CNc1ccc(NC2CCCC2)c[nH+]1 307026966 345763066 /nfs/dbraw/zinc/76/30/66/345763066.db2.gz YYGDFURLMAEBRU-UHFFFAOYSA-N 1 1 191.278 2.478 10 0 AEAEMO C[C@H]1CN(c2[nH]cc[nH+]2)C(C)(C)C1 307028795 345764991 /nfs/dbraw/zinc/76/49/91/345764991.db2.gz ITNUDCWEGMVAOA-MRVPVSSYSA-N 1 1 179.267 2.035 10 0 AEAEMO C[C@@H]1CN(c2[nH]cc[nH+]2)C(C)(C)C1 307028796 345765199 /nfs/dbraw/zinc/76/51/99/345765199.db2.gz ITNUDCWEGMVAOA-QMMMGPOBSA-N 1 1 179.267 2.035 10 0 AEAEMO C[N@H+]1CCC[C@@H]1CNc1ccsc1 307032967 345767230 /nfs/dbraw/zinc/76/72/30/345767230.db2.gz LKIGKEITCFSVKV-SNVBAGLBSA-N 1 1 196.319 2.254 10 0 AEAEMO C[N@H+]1CCC[C@H]1CNc1ccsc1 307032961 345767249 /nfs/dbraw/zinc/76/72/49/345767249.db2.gz LKIGKEITCFSVKV-JTQLQIEISA-N 1 1 196.319 2.254 10 0 AEAEMO CC1(C)CCC[N@H+]1Cc1ccon1 307051457 345779906 /nfs/dbraw/zinc/77/99/06/345779906.db2.gz IUHSDAPTHBQPLB-UHFFFAOYSA-N 1 1 180.251 2.049 10 0 AEAEMO CC1(C)CCC[N@H+]1Cc1cc[nH]c1 307064853 345789190 /nfs/dbraw/zinc/78/91/90/345789190.db2.gz QQEJOCZJTCMTBU-UHFFFAOYSA-N 1 1 178.279 2.389 10 0 AEAEMO C[C@@H]([NH2+][C@H]1CCC1(C)C)C(F)F 307073546 345793780 /nfs/dbraw/zinc/79/37/80/345793780.db2.gz MOOSUQWDPZOKLT-RQJHMYQMSA-N 1 1 177.238 2.418 10 0 AEAEMO C[C@H]([NH2+][C@H]1CCC1(C)C)C(F)F 307073495 345793928 /nfs/dbraw/zinc/79/39/28/345793928.db2.gz MOOSUQWDPZOKLT-BQBZGAKWSA-N 1 1 177.238 2.418 10 0 AEAEMO C[C@H]([NH2+][C@@H]1CCC1(C)C)C(F)F 307073509 345794114 /nfs/dbraw/zinc/79/41/14/345794114.db2.gz MOOSUQWDPZOKLT-NKWVEPMBSA-N 1 1 177.238 2.418 10 0 AEAEMO C[C@@H]([NH2+][C@@H]1CCC1(C)C)C(F)F 307073528 345794161 /nfs/dbraw/zinc/79/41/61/345794161.db2.gz MOOSUQWDPZOKLT-RNFRBKRXSA-N 1 1 177.238 2.418 10 0 AEAEMO C[C@H]1CCC[C@@H](C)[N@H+]1C(C)(C)CO 307082022 345799487 /nfs/dbraw/zinc/79/94/87/345799487.db2.gz PTLGTJLFQZCZKT-AOOOYVTPSA-N 1 1 185.311 2.020 10 0 AEAEMO c1c[nH+]c(N2CC[C@H]3CCCC[C@H]32)[nH]1 307100905 345810252 /nfs/dbraw/zinc/81/02/52/345810252.db2.gz YHCKMNZZLQVBBQ-NXEZZACHSA-N 1 1 191.278 2.179 10 0 AEAEMO C[C@H]1CC[N@H+](C2CCC2)CCS1 307104088 345811944 /nfs/dbraw/zinc/81/19/44/345811944.db2.gz CELRETOHFURRFJ-VIFPVBQESA-N 1 1 185.336 2.366 10 0 AEAEMO CC[C@H]1CC[N@H+]1C[C@H]1CCSC1 307107808 345813600 /nfs/dbraw/zinc/81/36/00/345813600.db2.gz ZPKJNDXRGJWYGY-ZJUUUORDSA-N 1 1 185.336 2.224 10 0 AEAEMO CC[C@@H]1CC[N@H+]1C[C@H]1CCSC1 307107781 345813571 /nfs/dbraw/zinc/81/35/71/345813571.db2.gz ZPKJNDXRGJWYGY-NXEZZACHSA-N 1 1 185.336 2.224 10 0 AEAEMO CC[C@@H]1CC[N@H+]1C[C@@H]1CCSC1 307107797 345813692 /nfs/dbraw/zinc/81/36/92/345813692.db2.gz ZPKJNDXRGJWYGY-VHSXEESVSA-N 1 1 185.336 2.224 10 0 AEAEMO CC[C@H]1CC[N@H+]1C[C@@H]1CCSC1 307107786 345813804 /nfs/dbraw/zinc/81/38/04/345813804.db2.gz ZPKJNDXRGJWYGY-UWVGGRQHSA-N 1 1 185.336 2.224 10 0 AEAEMO CCC1(Nc2ccc(N)c[nH+]2)CC1 307118276 345819604 /nfs/dbraw/zinc/81/96/04/345819604.db2.gz QMGUOOSNVMBIAV-UHFFFAOYSA-N 1 1 177.251 2.018 10 0 AEAEMO CC[C@H]1CC[N@@H+]1Cc1csc(C)n1 307124511 345823269 /nfs/dbraw/zinc/82/32/69/345823269.db2.gz YRJXYFBONOBZDJ-JTQLQIEISA-N 1 1 196.319 2.436 10 0 AEAEMO CC[C@H]1CC[N@H+]1Cc1csc(C)n1 307124511 345823272 /nfs/dbraw/zinc/82/32/72/345823272.db2.gz YRJXYFBONOBZDJ-JTQLQIEISA-N 1 1 196.319 2.436 10 0 AEAEMO CC[C@@H]1CC[N@@H+]1Cc1csc(C)n1 307124512 345823428 /nfs/dbraw/zinc/82/34/28/345823428.db2.gz YRJXYFBONOBZDJ-SNVBAGLBSA-N 1 1 196.319 2.436 10 0 AEAEMO CC[C@@H]1CC[N@H+]1Cc1csc(C)n1 307124512 345823431 /nfs/dbraw/zinc/82/34/31/345823431.db2.gz YRJXYFBONOBZDJ-SNVBAGLBSA-N 1 1 196.319 2.436 10 0 AEAEMO CC[C@H]1CC[N@H+]1Cc1cncs1 307133157 345829254 /nfs/dbraw/zinc/82/92/54/345829254.db2.gz WVHRMWGQYINFBB-QMMMGPOBSA-N 1 1 182.292 2.127 10 0 AEAEMO CC[C@@H]1CC[N@H+]1Cc1cncs1 307133156 345829633 /nfs/dbraw/zinc/82/96/33/345829633.db2.gz WVHRMWGQYINFBB-MRVPVSSYSA-N 1 1 182.292 2.127 10 0 AEAEMO CCNc1c(C)cc[nH+]c1C 307134641 345830163 /nfs/dbraw/zinc/83/01/63/345830163.db2.gz OSNMGYSMFAWNAV-UHFFFAOYSA-N 1 1 150.225 2.130 10 0 AEAEMO c1nc2c(s1)C[N@@H+](C1CCC1)CC2 307141640 345835129 /nfs/dbraw/zinc/83/51/29/345835129.db2.gz DHTPLASUGDGGTG-UHFFFAOYSA-N 1 1 194.303 2.054 10 0 AEAEMO Cc1[nH+]c(N)[nH]c1-c1ccsc1 307142479 345835711 /nfs/dbraw/zinc/83/57/11/345835711.db2.gz FAGYVJZSWIUSKQ-UHFFFAOYSA-N 1 1 179.248 2.029 10 0 AEAEMO CSC(C)(C)c1ncc([C@H](C)[NH3+])[nH]1 307156369 345848260 /nfs/dbraw/zinc/84/82/60/345848260.db2.gz WUTVELLBRPSAIH-LURJTMIESA-N 1 1 199.323 2.028 10 0 AEAEMO CSC(C)(C)c1ncc([C@@H](C)[NH3+])[nH]1 307156370 345848496 /nfs/dbraw/zinc/84/84/96/345848496.db2.gz WUTVELLBRPSAIH-ZCFIWIBFSA-N 1 1 199.323 2.028 10 0 AEAEMO Cc1[nH+]cn(COC2CCCC2)c1C 307157012 345849299 /nfs/dbraw/zinc/84/92/99/345849299.db2.gz PDKNGNCJBHEOMM-UHFFFAOYSA-N 1 1 194.278 2.417 10 0 AEAEMO Cc1cocc1[C@@H]([NH3+])c1cscn1 307162005 345853968 /nfs/dbraw/zinc/85/39/68/345853968.db2.gz HFLZIGAIXFGPPU-SECBINFHSA-N 1 1 194.259 2.093 10 0 AEAEMO Cc1cocc1[C@H]([NH3+])c1cscn1 307162006 345854125 /nfs/dbraw/zinc/85/41/25/345854125.db2.gz HFLZIGAIXFGPPU-VIFPVBQESA-N 1 1 194.259 2.093 10 0 AEAEMO CC1(C)[C@H](O)CC[N@H+]1CCC1CCC1 307164385 345856125 /nfs/dbraw/zinc/85/61/25/345856125.db2.gz JUOISSAAGGAFBT-LLVKDONJSA-N 1 1 197.322 2.022 10 0 AEAEMO CC1(C)[C@@H](O)CC[N@H+]1CCC1CCC1 307164386 345856451 /nfs/dbraw/zinc/85/64/51/345856451.db2.gz JUOISSAAGGAFBT-NSHDSACASA-N 1 1 197.322 2.022 10 0 AEAEMO Cc1csc(-c2cnc(C[NH3+])o2)c1 307166164 345857573 /nfs/dbraw/zinc/85/75/73/345857573.db2.gz OGCSATCNDWLXOF-UHFFFAOYSA-N 1 1 194.259 2.170 10 0 AEAEMO C/C=C/C[N@H+]1[C@@H](C)C[C@H]1C 307168871 345861618 /nfs/dbraw/zinc/86/16/18/345861618.db2.gz WGYFJENYKXAVDZ-ZZGNMTITSA-N 1 1 139.242 2.045 10 0 AEAEMO C[C@H]([N@@H+](C)C1CCCC1)C(C)(C)O 307170423 345862742 /nfs/dbraw/zinc/86/27/42/345862742.db2.gz AWVDECJMCPZKGQ-VIFPVBQESA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@H](C)[NH2+][C@H]1CCCc2c[nH]nc21 307196237 345881873 /nfs/dbraw/zinc/88/18/73/345881873.db2.gz SVQKMSBSTJIOQJ-WPRPVWTQSA-N 1 1 193.294 2.175 10 0 AEAEMO CC[C@H](C)[NH2+][C@@H]1CCCc2c[nH]nc21 307196236 345882042 /nfs/dbraw/zinc/88/20/42/345882042.db2.gz SVQKMSBSTJIOQJ-WCBMZHEXSA-N 1 1 193.294 2.175 10 0 AEAEMO CC(C)[NH2+]C1CC(N2CCCCC2)C1 307196856 345882313 /nfs/dbraw/zinc/88/23/13/345882313.db2.gz UQSYZQQAXFINLC-UHFFFAOYSA-N 1 1 196.338 2.001 10 0 AEAEMO Cc1ccc(NCC2(F)CC2)[nH+]c1 307197074 345882624 /nfs/dbraw/zinc/88/26/24/345882624.db2.gz UUTQJONWHQQWMS-UHFFFAOYSA-N 1 1 180.226 2.304 10 0 AEAEMO C[C@H]1CCN(c2[nH]cc[nH+]2)[C@@H](C)C1 307208800 345892013 /nfs/dbraw/zinc/89/20/13/345892013.db2.gz JTDGEGWBCNPORX-IUCAKERBSA-N 1 1 179.267 2.035 10 0 AEAEMO C[C@H]1CCN(c2[nH]cc[nH+]2)[C@H](C)C1 307208488 345892124 /nfs/dbraw/zinc/89/21/24/345892124.db2.gz JTDGEGWBCNPORX-DTWKUNHWSA-N 1 1 179.267 2.035 10 0 AEAEMO C[C@@H]1CCN(c2[nH]cc[nH+]2)[C@H](C)C1 307208801 345892144 /nfs/dbraw/zinc/89/21/44/345892144.db2.gz JTDGEGWBCNPORX-RKDXNWHRSA-N 1 1 179.267 2.035 10 0 AEAEMO C[C@H]1C[C@H](C)CCN1c1[nH]cc[nH+]1 307208486 345892189 /nfs/dbraw/zinc/89/21/89/345892189.db2.gz JTDGEGWBCNPORX-BDAKNGLRSA-N 1 1 179.267 2.035 10 0 AEAEMO C/C=C/CNc1cc(C)cc[nH+]1 307217808 345898434 /nfs/dbraw/zinc/89/84/34/345898434.db2.gz CLYGJDBFFKFGLF-ONEGZZNKSA-N 1 1 162.236 2.378 10 0 AEAEMO CC1(C[N@@H+]2CCCC(=O)C2)CCCC1 307220755 345899967 /nfs/dbraw/zinc/89/99/67/345899967.db2.gz XIDWLKFHHQQPPZ-UHFFFAOYSA-N 1 1 195.306 2.232 10 0 AEAEMO CC1(C[N@H+]2CCCC(=O)C2)CCCC1 307220755 345899968 /nfs/dbraw/zinc/89/99/68/345899968.db2.gz XIDWLKFHHQQPPZ-UHFFFAOYSA-N 1 1 195.306 2.232 10 0 AEAEMO [NH3+][C@H](c1ccsn1)c1cccs1 307224969 345903431 /nfs/dbraw/zinc/90/34/31/345903431.db2.gz TWCOLUCBGWPWDE-MRVPVSSYSA-N 1 1 196.300 2.253 10 0 AEAEMO [NH3+][C@@H](c1ccsn1)c1cccs1 307224970 345903568 /nfs/dbraw/zinc/90/35/68/345903568.db2.gz TWCOLUCBGWPWDE-QMMMGPOBSA-N 1 1 196.300 2.253 10 0 AEAEMO Clc1c[nH+]cc2c1NC1(CC1)CN2 307226696 345904170 /nfs/dbraw/zinc/90/41/70/345904170.db2.gz BTFMCAQPBAJWLW-UHFFFAOYSA-N 1 1 195.653 2.105 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1CCC(F)(F)F 307230139 345906867 /nfs/dbraw/zinc/90/68/67/345906867.db2.gz BOXYFXIWUWYRBZ-RQJHMYQMSA-N 1 1 181.201 2.279 10 0 AEAEMO C[C@H]1C[N@@H+](CCC(F)(F)F)[C@H]1C 307230128 345906909 /nfs/dbraw/zinc/90/69/09/345906909.db2.gz BOXYFXIWUWYRBZ-BQBZGAKWSA-N 1 1 181.201 2.279 10 0 AEAEMO C[C@H]1C[N@@H+](CCC(F)(F)F)[C@@H]1C 307230132 345907046 /nfs/dbraw/zinc/90/70/46/345907046.db2.gz BOXYFXIWUWYRBZ-NKWVEPMBSA-N 1 1 181.201 2.279 10 0 AEAEMO CCC[N@@H+](C)[C@H]1C[C@H](C)O[C@H](C)C1 307237337 345913799 /nfs/dbraw/zinc/91/37/99/345913799.db2.gz OGTKVUSFLSTCRN-JGPRNRPPSA-N 1 1 185.311 2.284 10 0 AEAEMO CC[N@@H+](C)[C@H]1CCNc2ccccc21 307244673 345918260 /nfs/dbraw/zinc/91/82/60/345918260.db2.gz LMAWJXGTSBVMLF-LBPRGKRZSA-N 1 1 190.290 2.495 10 0 AEAEMO CC[N@@H+](C)[C@@H]1CCNc2ccccc21 307244671 345918341 /nfs/dbraw/zinc/91/83/41/345918341.db2.gz LMAWJXGTSBVMLF-GFCCVEGCSA-N 1 1 190.290 2.495 10 0 AEAEMO C/C=C/CNc1ccc(C)c[nH+]1 307245259 345918837 /nfs/dbraw/zinc/91/88/37/345918837.db2.gz MARLBKVAFJNFQN-ONEGZZNKSA-N 1 1 162.236 2.378 10 0 AEAEMO CCC1(Nc2[nH+]cccc2N)CC1 307247854 345920393 /nfs/dbraw/zinc/92/03/93/345920393.db2.gz HATZMFGMVOCBBO-UHFFFAOYSA-N 1 1 177.251 2.018 10 0 AEAEMO CCN(c1[nH]cc(C)[nH+]1)C1CCCC1 307247652 345920490 /nfs/dbraw/zinc/92/04/90/345920490.db2.gz AFWRASYCJCJBHV-UHFFFAOYSA-N 1 1 193.294 2.487 10 0 AEAEMO C[C@H]1CCCN(c2[nH]cc[nH+]2)CC1 307258143 345928892 /nfs/dbraw/zinc/92/88/92/345928892.db2.gz BPFKWVUPEILZOL-VIFPVBQESA-N 1 1 179.267 2.036 10 0 AEAEMO C[C@@H]1CCCN(c2[nH]cc[nH+]2)CC1 307258141 345929037 /nfs/dbraw/zinc/92/90/37/345929037.db2.gz BPFKWVUPEILZOL-SECBINFHSA-N 1 1 179.267 2.036 10 0 AEAEMO CC(C)[C@H](C)c1ccc[nH+]c1N 307262219 345932742 /nfs/dbraw/zinc/93/27/42/345932742.db2.gz WLQAHWIXFPPRPV-QMMMGPOBSA-N 1 1 164.252 2.423 10 0 AEAEMO CC(C)[C@@H](C)c1ccc[nH+]c1N 307262218 345932764 /nfs/dbraw/zinc/93/27/64/345932764.db2.gz WLQAHWIXFPPRPV-MRVPVSSYSA-N 1 1 164.252 2.423 10 0 AEAEMO Cc1nc(C[N@@H+]2C[C@H](C)[C@@H]2C)cs1 307290052 345950256 /nfs/dbraw/zinc/95/02/56/345950256.db2.gz ZSGFRDFFPWEHKM-YUMQZZPRSA-N 1 1 196.319 2.292 10 0 AEAEMO Cc1nc(C[N@H+]2C[C@@H](C)[C@@H]2C)cs1 307290051 345950228 /nfs/dbraw/zinc/95/02/28/345950228.db2.gz ZSGFRDFFPWEHKM-SFYZADRCSA-N 1 1 196.319 2.292 10 0 AEAEMO Cc1nc(C[N@@H+]2C[C@@H](C)[C@@H]2C)cs1 307290051 345950231 /nfs/dbraw/zinc/95/02/31/345950231.db2.gz ZSGFRDFFPWEHKM-SFYZADRCSA-N 1 1 196.319 2.292 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@]1(C)O 307290280 345950245 /nfs/dbraw/zinc/95/02/45/345950245.db2.gz MWLJUOSYNCZKCG-UTUOFQBUSA-N 1 1 197.322 2.164 10 0 AEAEMO Cc1nc(C[N@H+]2C[C@H](C)[C@@H]2C)cs1 307290052 345950254 /nfs/dbraw/zinc/95/02/54/345950254.db2.gz ZSGFRDFFPWEHKM-YUMQZZPRSA-N 1 1 196.319 2.292 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@H]1CCC[C@]1(C)O 307290285 345950304 /nfs/dbraw/zinc/95/03/04/345950304.db2.gz MWLJUOSYNCZKCG-WOPDTQHZSA-N 1 1 197.322 2.164 10 0 AEAEMO Cc1nc(C[N@H+]2C[C@@H](C)[C@H]2C)cs1 307290049 345950311 /nfs/dbraw/zinc/95/03/11/345950311.db2.gz ZSGFRDFFPWEHKM-HTQZYQBOSA-N 1 1 196.319 2.292 10 0 AEAEMO Cc1nc(C[N@@H+]2C[C@@H](C)[C@H]2C)cs1 307290049 345950313 /nfs/dbraw/zinc/95/03/13/345950313.db2.gz ZSGFRDFFPWEHKM-HTQZYQBOSA-N 1 1 196.319 2.292 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@@]1(C)O 307290275 345950323 /nfs/dbraw/zinc/95/03/23/345950323.db2.gz MWLJUOSYNCZKCG-IJLUTSLNSA-N 1 1 197.322 2.164 10 0 AEAEMO Cc1nc(C[N@H+]2C[C@H](C)[C@H]2C)cs1 307290050 345950340 /nfs/dbraw/zinc/95/03/40/345950340.db2.gz ZSGFRDFFPWEHKM-JGVFFNPUSA-N 1 1 196.319 2.292 10 0 AEAEMO Cc1nc(C[N@@H+]2C[C@H](C)[C@H]2C)cs1 307290050 345950342 /nfs/dbraw/zinc/95/03/42/345950342.db2.gz ZSGFRDFFPWEHKM-JGVFFNPUSA-N 1 1 196.319 2.292 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1[C@H]1CCC[C@@]1(C)O 307290272 345950497 /nfs/dbraw/zinc/95/04/97/345950497.db2.gz MWLJUOSYNCZKCG-GRYCIOLGSA-N 1 1 197.322 2.164 10 0 AEAEMO C[C@H]1CC[N@@H+](CCCF)CCS1 307303846 345957803 /nfs/dbraw/zinc/95/78/03/345957803.db2.gz DVWOADFQTGPNLL-VIFPVBQESA-N 1 1 191.315 2.173 10 0 AEAEMO CC(C)[C@@H]1CCCN1c1[nH]cc[nH+]1 307304730 345958080 /nfs/dbraw/zinc/95/80/80/345958080.db2.gz CBTSTVDMZOCIBC-VIFPVBQESA-N 1 1 179.267 2.035 10 0 AEAEMO CC(C)[C@H]1CCCN1c1[nH]cc[nH+]1 307304729 345958189 /nfs/dbraw/zinc/95/81/89/345958189.db2.gz CBTSTVDMZOCIBC-SECBINFHSA-N 1 1 179.267 2.035 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@@H](F)C1 307311837 345963700 /nfs/dbraw/zinc/96/37/00/345963700.db2.gz GBBPQJNRGOQSKD-SECBINFHSA-N 1 1 159.248 2.219 10 0 AEAEMO c1c[nH+]c(N2CC[C@@H]3CCCC[C@@H]32)[nH]1 307322245 345969867 /nfs/dbraw/zinc/96/98/67/345969867.db2.gz YHCKMNZZLQVBBQ-UWVGGRQHSA-N 1 1 191.278 2.179 10 0 AEAEMO c1c[nH+]c(N2CC[C@H]3CCCC[C@@H]32)[nH]1 307322247 345969945 /nfs/dbraw/zinc/96/99/45/345969945.db2.gz YHCKMNZZLQVBBQ-ZJUUUORDSA-N 1 1 191.278 2.179 10 0 AEAEMO c1c[nH+]c(N2CC[C@@H]3CCCC[C@H]32)[nH]1 307322246 345970137 /nfs/dbraw/zinc/97/01/37/345970137.db2.gz YHCKMNZZLQVBBQ-VHSXEESVSA-N 1 1 191.278 2.179 10 0 AEAEMO CCc1ccccc1C1(F)C[NH2+]C1 307324029 345970978 /nfs/dbraw/zinc/97/09/78/345970978.db2.gz JMCSOAAFDSOILI-UHFFFAOYSA-N 1 1 179.238 2.017 10 0 AEAEMO CC[C@H]1CC[N@H+]1Cc1cnc(C)s1 307323404 345971203 /nfs/dbraw/zinc/97/12/03/345971203.db2.gz ALNOHNNZCRSLFB-VIFPVBQESA-N 1 1 196.319 2.436 10 0 AEAEMO C/C=C/CNc1cc(CC)[nH+]c(C)n1 307328463 345974432 /nfs/dbraw/zinc/97/44/32/345974432.db2.gz VUKOYCBJKZGEEH-GQCTYLIASA-N 1 1 191.278 2.335 10 0 AEAEMO CC[C@@H]1C[C@H](C)C[N@H+]1[C@H]1CCC[C@@H]1O 307336716 345979620 /nfs/dbraw/zinc/97/96/20/345979620.db2.gz SIJHPENKCXLJDF-USZNOCQGSA-N 1 1 197.322 2.020 10 0 AEAEMO CC1=C[C@@H](C)C[N@H+](C2CCC2)C1 307346372 345985443 /nfs/dbraw/zinc/98/54/43/345985443.db2.gz LRXPSIDJJNROHF-SECBINFHSA-N 1 1 165.280 2.437 10 0 AEAEMO CC1=C[C@H](C)C[N@H+](C2CCC2)C1 307346373 345985552 /nfs/dbraw/zinc/98/55/52/345985552.db2.gz LRXPSIDJJNROHF-VIFPVBQESA-N 1 1 165.280 2.437 10 0 AEAEMO CC1(C)C[NH+](CC(=O)C2CCCC2)C1 307347069 345985782 /nfs/dbraw/zinc/98/57/82/345985782.db2.gz MRJMYTGEELFTET-UHFFFAOYSA-N 1 1 195.306 2.088 10 0 AEAEMO [NH3+][C@H](c1cccs1)c1ccns1 307352715 345989545 /nfs/dbraw/zinc/98/95/45/345989545.db2.gz VLZBSGKYRKFNIN-MRVPVSSYSA-N 1 1 196.300 2.253 10 0 AEAEMO [NH3+][C@@H](c1cccs1)c1ccns1 307352718 345989563 /nfs/dbraw/zinc/98/95/63/345989563.db2.gz VLZBSGKYRKFNIN-QMMMGPOBSA-N 1 1 196.300 2.253 10 0 AEAEMO Cc1cc(-c2cnc(C[NH3+])o2)cs1 307362620 345995298 /nfs/dbraw/zinc/99/52/98/345995298.db2.gz GKHABARBQSAVSC-UHFFFAOYSA-N 1 1 194.259 2.170 10 0 AEAEMO CC1(C[N@H+]2CCC[C@@H](O)CC2)CCC1 307365298 345996789 /nfs/dbraw/zinc/99/67/89/345996789.db2.gz JIRZSERXIMZFTC-LLVKDONJSA-N 1 1 197.322 2.023 10 0 AEAEMO CC1(C[N@H+]2CCC[C@H](O)CC2)CCC1 307365300 345996938 /nfs/dbraw/zinc/99/69/38/345996938.db2.gz JIRZSERXIMZFTC-NSHDSACASA-N 1 1 197.322 2.023 10 0 AEAEMO Nc1ccc(NC/C=C/C2CC2)c[nH+]1 307365864 345997705 /nfs/dbraw/zinc/99/77/05/345997705.db2.gz KFAUMPSKYXIEGI-OWOJBTEDSA-N 1 1 189.262 2.042 10 0 AEAEMO CC[C@@H]1[C@H](C)CCN1c1[nH]cc[nH+]1 307369015 345998868 /nfs/dbraw/zinc/99/88/68/345998868.db2.gz QPTMHCYRIYNODS-RKDXNWHRSA-N 1 1 179.267 2.035 10 0 AEAEMO CC[C@@H]1[C@@H](C)CCN1c1[nH]cc[nH+]1 307369013 345998922 /nfs/dbraw/zinc/99/89/22/345998922.db2.gz QPTMHCYRIYNODS-DTWKUNHWSA-N 1 1 179.267 2.035 10 0 AEAEMO CC[C@H]1[C@H](C)CCN1c1[nH]cc[nH+]1 307369012 345999262 /nfs/dbraw/zinc/99/92/62/345999262.db2.gz QPTMHCYRIYNODS-BDAKNGLRSA-N 1 1 179.267 2.035 10 0 AEAEMO CC[C@H]1[C@@H](C)CCN1c1[nH]cc[nH+]1 307369014 345999323 /nfs/dbraw/zinc/99/93/23/345999323.db2.gz QPTMHCYRIYNODS-IUCAKERBSA-N 1 1 179.267 2.035 10 0 AEAEMO C[C@H]1CC[C@@H]([N@@H+](C)C2CC2)C1 307379481 346005269 /nfs/dbraw/zinc/00/52/69/346005269.db2.gz DFOJMNJPSVOPLE-WCBMZHEXSA-N 1 1 153.269 2.269 10 0 AEAEMO C[C@H]1CC[C@H]([N@@H+](C)C2CC2)C1 307379484 346005489 /nfs/dbraw/zinc/00/54/89/346005489.db2.gz DFOJMNJPSVOPLE-WPRPVWTQSA-N 1 1 153.269 2.269 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CCC[C@@H](N)[C@@H]1C 307382734 346006770 /nfs/dbraw/zinc/00/67/70/346006770.db2.gz HBEWNOCYWXCDIO-SDDRHHMPSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[C@H](C)N1CCC[C@@H]([NH3+])[C@@H]1C 307382734 346006773 /nfs/dbraw/zinc/00/67/73/346006773.db2.gz HBEWNOCYWXCDIO-SDDRHHMPSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CCC[C@H](N)[C@@H]1C 307382735 346006944 /nfs/dbraw/zinc/00/69/44/346006944.db2.gz HBEWNOCYWXCDIO-SRVKXCTJSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[C@H](C)N1CCC[C@H]([NH3+])[C@@H]1C 307382735 346006948 /nfs/dbraw/zinc/00/69/48/346006948.db2.gz HBEWNOCYWXCDIO-SRVKXCTJSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CCC[C@@H](N)[C@H]1C 307382733 346007044 /nfs/dbraw/zinc/00/70/44/346007044.db2.gz HBEWNOCYWXCDIO-QJPTWQEYSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[C@H](C)N1CCC[C@@H]([NH3+])[C@H]1C 307382733 346007046 /nfs/dbraw/zinc/00/70/46/346007046.db2.gz HBEWNOCYWXCDIO-QJPTWQEYSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CCC[C@H](N)[C@H]1C 307382736 346007070 /nfs/dbraw/zinc/00/70/70/346007070.db2.gz HBEWNOCYWXCDIO-TUAOUCFPSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[C@H](C)N1CCC[C@H]([NH3+])[C@H]1C 307382736 346007071 /nfs/dbraw/zinc/00/70/71/346007071.db2.gz HBEWNOCYWXCDIO-TUAOUCFPSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)(C)C(C)(C)N1CCC[C@H]([NH3+])C1 307386947 346009494 /nfs/dbraw/zinc/00/94/94/346009494.db2.gz CAZHHKKIHWBRDW-JTQLQIEISA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)(C)C(C)(C)[N@H+]1CCC[C@@H](N)C1 307386948 346009579 /nfs/dbraw/zinc/00/95/79/346009579.db2.gz CAZHHKKIHWBRDW-SNVBAGLBSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)(C)C(C)(C)N1CCC[C@@H]([NH3+])C1 307386948 346009580 /nfs/dbraw/zinc/00/95/80/346009580.db2.gz CAZHHKKIHWBRDW-SNVBAGLBSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)(C)C(C)(C)C[N@@H+]1CCC(=O)C1 307394733 346014568 /nfs/dbraw/zinc/01/45/68/346014568.db2.gz FLGXPKNBAICOCI-UHFFFAOYSA-N 1 1 197.322 2.334 10 0 AEAEMO CC(C)(C)C(C)(C)C[N@H+]1CCC(=O)C1 307394733 346014571 /nfs/dbraw/zinc/01/45/71/346014571.db2.gz FLGXPKNBAICOCI-UHFFFAOYSA-N 1 1 197.322 2.334 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@H+]1[C@@H](C)CNC[C@H]1C 307395108 346014864 /nfs/dbraw/zinc/01/48/64/346014864.db2.gz GFKCYSAKBMDXTD-YFKTTZPYSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H](C)[C@@H](C)[N@H+]1[C@@H](C)CNC[C@H]1C 307395104 346014892 /nfs/dbraw/zinc/01/48/92/346014892.db2.gz GFKCYSAKBMDXTD-NNYUYHANSA-N 1 1 198.354 2.103 10 0 AEAEMO C[C@@H]1[C@H](N)CCC[N@H+]1CCC(C)(C)C 307397473 346016327 /nfs/dbraw/zinc/01/63/27/346016327.db2.gz RCYCNWMBEOURFD-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]1[C@H]([NH3+])CCCN1CCC(C)(C)C 307397473 346016329 /nfs/dbraw/zinc/01/63/29/346016329.db2.gz RCYCNWMBEOURFD-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CC1=CCC[N@@H+](Cc2cncs2)C1 307400783 346019148 /nfs/dbraw/zinc/01/91/48/346019148.db2.gz DKUGQCZUAHWJPB-UHFFFAOYSA-N 1 1 194.303 2.295 10 0 AEAEMO Cc1cc[nH+]c(N)c1-c1ccns1 307403985 346021402 /nfs/dbraw/zinc/02/14/02/346021402.db2.gz CGCFVLHAOQELDN-UHFFFAOYSA-N 1 1 191.259 2.096 10 0 AEAEMO CCCC[N@H+]1[C@@H](C)C[C@H](O)C[C@H]1C 307408397 346024873 /nfs/dbraw/zinc/02/48/73/346024873.db2.gz MELIWSVNYRURHK-JGPRNRPPSA-N 1 1 185.311 2.020 10 0 AEAEMO C[NH+](C)Cc1cccc(F)c1F 307416489 346030241 /nfs/dbraw/zinc/03/02/41/346030241.db2.gz LIXULOGYNHCXBT-UHFFFAOYSA-N 1 1 171.190 2.026 10 0 AEAEMO CC[C@H]1CC[C@H](C)N1c1[nH]cc[nH+]1 307422828 346032512 /nfs/dbraw/zinc/03/25/12/346032512.db2.gz OWHSYWBSKHXADB-IUCAKERBSA-N 1 1 179.267 2.177 10 0 AEAEMO CC[C@@H]1CC[C@H](C)N1c1[nH]cc[nH+]1 307422824 346032541 /nfs/dbraw/zinc/03/25/41/346032541.db2.gz OWHSYWBSKHXADB-DTWKUNHWSA-N 1 1 179.267 2.177 10 0 AEAEMO CC[C@@H]1CC[C@@H](C)N1c1[nH]cc[nH+]1 307422831 346032587 /nfs/dbraw/zinc/03/25/87/346032587.db2.gz OWHSYWBSKHXADB-RKDXNWHRSA-N 1 1 179.267 2.177 10 0 AEAEMO CC[C@H]1CC[C@@H](C)N1c1[nH]cc[nH+]1 307422819 346032759 /nfs/dbraw/zinc/03/27/59/346032759.db2.gz OWHSYWBSKHXADB-BDAKNGLRSA-N 1 1 179.267 2.177 10 0 AEAEMO C[C@@H]1CCCCCN1c1[nH]cc[nH+]1 307434015 346037844 /nfs/dbraw/zinc/03/78/44/346037844.db2.gz LPPRXOKAOAXCTN-SECBINFHSA-N 1 1 179.267 2.179 10 0 AEAEMO C[C@H]1CCCCCN1c1[nH]cc[nH+]1 307434016 346038139 /nfs/dbraw/zinc/03/81/39/346038139.db2.gz LPPRXOKAOAXCTN-VIFPVBQESA-N 1 1 179.267 2.179 10 0 AEAEMO Cc1cc[nH+]c(N[C@H](C)C(F)F)c1 307436689 346039078 /nfs/dbraw/zinc/03/90/78/346039078.db2.gz RJFGJGADJTYJEO-SSDOTTSWSA-N 1 1 186.205 2.456 10 0 AEAEMO Cc1cc[nH+]c(N[C@@H](C)C(F)F)c1 307436690 346039195 /nfs/dbraw/zinc/03/91/95/346039195.db2.gz RJFGJGADJTYJEO-ZETCQYMHSA-N 1 1 186.205 2.456 10 0 AEAEMO Cc1c[nH]c(N2CCCC[C@H]2C)[nH+]1 307443473 346043285 /nfs/dbraw/zinc/04/32/85/346043285.db2.gz AURVEEAOWJBNIT-SECBINFHSA-N 1 1 179.267 2.097 10 0 AEAEMO Cc1c[nH]c(N2CCCC[C@@H]2C)[nH+]1 307443474 346043373 /nfs/dbraw/zinc/04/33/73/346043373.db2.gz AURVEEAOWJBNIT-VIFPVBQESA-N 1 1 179.267 2.097 10 0 AEAEMO Cc1cc([C@H]([NH3+])c2ccns2)co1 307444418 346043908 /nfs/dbraw/zinc/04/39/08/346043908.db2.gz DGSMTATZVWXFQV-VIFPVBQESA-N 1 1 194.259 2.093 10 0 AEAEMO Cc1cc([C@@H]([NH3+])c2ccns2)co1 307444416 346043935 /nfs/dbraw/zinc/04/39/35/346043935.db2.gz DGSMTATZVWXFQV-SECBINFHSA-N 1 1 194.259 2.093 10 0 AEAEMO CC1CCC(C(=O)C[NH+]2CCC2)CC1 307443800 346044116 /nfs/dbraw/zinc/04/41/16/346044116.db2.gz CMPOTDJWLMDVRN-UHFFFAOYSA-N 1 1 195.306 2.088 10 0 AEAEMO Cc1cc(N)nc([C@H](C)C(C)C)[nH+]1 307450558 346047791 /nfs/dbraw/zinc/04/77/91/346047791.db2.gz PQOZBZHHLRAMED-MRVPVSSYSA-N 1 1 179.267 2.127 10 0 AEAEMO Cc1cc(N)nc([C@@H](C)C(C)C)[nH+]1 307450559 346047824 /nfs/dbraw/zinc/04/78/24/346047824.db2.gz PQOZBZHHLRAMED-QMMMGPOBSA-N 1 1 179.267 2.127 10 0 AEAEMO CC[N@H+]1CC[C@@H](Nc2ccsc2)C1 307451171 346048096 /nfs/dbraw/zinc/04/80/96/346048096.db2.gz RLCBXLJGCREVJB-SECBINFHSA-N 1 1 196.319 2.254 10 0 AEAEMO CC[N@H+]1CC[C@H](Nc2ccsc2)C1 307451172 346048232 /nfs/dbraw/zinc/04/82/32/346048232.db2.gz RLCBXLJGCREVJB-VIFPVBQESA-N 1 1 196.319 2.254 10 0 AEAEMO CC[C@H]1CC[N@H+]1Cc1cccnc1 307452256 346048734 /nfs/dbraw/zinc/04/87/34/346048734.db2.gz STYBLMQXGZCFLK-NSHDSACASA-N 1 1 176.263 2.066 10 0 AEAEMO CC[C@@H]1CC[N@H+]1Cc1cccnc1 307452255 346048882 /nfs/dbraw/zinc/04/88/82/346048882.db2.gz STYBLMQXGZCFLK-LLVKDONJSA-N 1 1 176.263 2.066 10 0 AEAEMO CC[C@@H]1CCCCN1c1[nH]cc[nH+]1 307452195 346048898 /nfs/dbraw/zinc/04/88/98/346048898.db2.gz SNZHQMPJYVTLEZ-SECBINFHSA-N 1 1 179.267 2.179 10 0 AEAEMO CC[C@H]1CCCCN1c1[nH]cc[nH+]1 307452196 346048929 /nfs/dbraw/zinc/04/89/29/346048929.db2.gz SNZHQMPJYVTLEZ-VIFPVBQESA-N 1 1 179.267 2.179 10 0 AEAEMO Oc1ccc(C[NH+]2CCC2)cc1Cl 307458122 346052617 /nfs/dbraw/zinc/05/26/17/346052617.db2.gz ABSJFYSNFBOQJR-UHFFFAOYSA-N 1 1 197.665 2.251 10 0 AEAEMO [NH3+][C@@H](c1ccc[nH]1)c1ccc(Cl)o1 307458672 346053354 /nfs/dbraw/zinc/05/33/54/346053354.db2.gz DJAMGFIXSVLFJL-VIFPVBQESA-N 1 1 196.637 2.309 10 0 AEAEMO [NH3+][C@H](c1ccc[nH]1)c1ccc(Cl)o1 307458670 346053396 /nfs/dbraw/zinc/05/33/96/346053396.db2.gz DJAMGFIXSVLFJL-SECBINFHSA-N 1 1 196.637 2.309 10 0 AEAEMO C[C@H](N)[C@@H](C)[NH2+][C@H]1CCCCC1(C)C 307459822 346053829 /nfs/dbraw/zinc/05/38/29/346053829.db2.gz CRBQFWLKUWONFV-AXFHLTTASA-N 1 1 198.354 2.281 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+][C@H]1CCCCC1(C)C 307459825 346053885 /nfs/dbraw/zinc/05/38/85/346053885.db2.gz CRBQFWLKUWONFV-DCAQKATOSA-N 1 1 198.354 2.281 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCCCC1(C)C 307459829 346053896 /nfs/dbraw/zinc/05/38/96/346053896.db2.gz CRBQFWLKUWONFV-GARJFASQSA-N 1 1 198.354 2.281 10 0 AEAEMO C[C@H](N)[C@@H](C)[NH2+][C@@H]1CCCCC1(C)C 307459833 346053988 /nfs/dbraw/zinc/05/39/88/346053988.db2.gz CRBQFWLKUWONFV-HBNTYKKESA-N 1 1 198.354 2.281 10 0 AEAEMO CC[C@](C)([C@@H](C)N)[N@@H+]1C[C@@H](C)[C@@H](C)C1 307461966 346054921 /nfs/dbraw/zinc/05/49/21/346054921.db2.gz FYERHZGFUZJLKB-WRWGMCAJSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@](C)([C@H](C)N)[N@@H+]1C[C@@H](C)[C@@H](C)C1 307461962 346055066 /nfs/dbraw/zinc/05/50/66/346055066.db2.gz FYERHZGFUZJLKB-WHOHXGKFSA-N 1 1 198.354 2.090 10 0 AEAEMO Cc1cc[nH+]c(NCC2(F)CC2)c1 307464670 346056410 /nfs/dbraw/zinc/05/64/10/346056410.db2.gz HGBXRNAIDVHXHL-UHFFFAOYSA-N 1 1 180.226 2.304 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CC[C@H](N)C1(C)C 307465612 346057157 /nfs/dbraw/zinc/05/71/57/346057157.db2.gz MXIDGDNESDWPRC-QWRGUYRKSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[C@@H](C)[N@H+]1CC[C@H](N)C1(C)C 307465611 346057293 /nfs/dbraw/zinc/05/72/93/346057293.db2.gz MXIDGDNESDWPRC-MNOVXSKESA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CC[C@@H](N)C1(C)C 307465614 346057300 /nfs/dbraw/zinc/05/73/00/346057300.db2.gz MXIDGDNESDWPRC-WDEREUQCSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)C[C@@H](C)[N@H+]1CC[C@@H](N)C1(C)C 307465609 346057313 /nfs/dbraw/zinc/05/73/13/346057313.db2.gz MXIDGDNESDWPRC-GHMZBOCLSA-N 1 1 198.354 2.233 10 0 AEAEMO [NH3+][C@H](c1ccsc1)c1ccns1 307467870 346058172 /nfs/dbraw/zinc/05/81/72/346058172.db2.gz LKRLEZFGPOYCDL-MRVPVSSYSA-N 1 1 196.300 2.253 10 0 AEAEMO [NH3+][C@@H](c1ccsc1)c1ccns1 307467871 346058281 /nfs/dbraw/zinc/05/82/81/346058281.db2.gz LKRLEZFGPOYCDL-QMMMGPOBSA-N 1 1 196.300 2.253 10 0 AEAEMO CCCC[N@H+]1CCC12CCC2 307473945 346062110 /nfs/dbraw/zinc/06/21/10/346062110.db2.gz RZLFBWSSIOEZBN-UHFFFAOYSA-N 1 1 153.269 2.415 10 0 AEAEMO CC[C@]1(C)CCN(c2[nH]cc[nH+]2)C1 307481635 346066664 /nfs/dbraw/zinc/06/66/64/346066664.db2.gz YGBLFBLEKCLQBN-SNVBAGLBSA-N 1 1 179.267 2.036 10 0 AEAEMO CC[C@@]1(C)CCN(c2[nH]cc[nH+]2)C1 307481634 346066951 /nfs/dbraw/zinc/06/69/51/346066951.db2.gz YGBLFBLEKCLQBN-JTQLQIEISA-N 1 1 179.267 2.036 10 0 AEAEMO Nc1ccc(Cl)cc1C[NH+]1CCC1 307494536 346074132 /nfs/dbraw/zinc/07/41/32/346074132.db2.gz LPCRDCCUBHPRGJ-UHFFFAOYSA-N 1 1 196.681 2.128 10 0 AEAEMO FC1(F)CCCC[C@H]1[NH2+]C1CC1 307511741 346083102 /nfs/dbraw/zinc/08/31/02/346083102.db2.gz XIWWXBHKCUMENQ-MRVPVSSYSA-N 1 1 175.222 2.316 10 0 AEAEMO CCc1c[nH]c(N2CCCCCC2)[nH+]1 307524412 346090982 /nfs/dbraw/zinc/09/09/82/346090982.db2.gz CULFYVQEEICYNV-UHFFFAOYSA-N 1 1 193.294 2.353 10 0 AEAEMO C[C@H]1[C@H](C)CC[N@H+]1Cc1ccc[nH]1 307528236 346093257 /nfs/dbraw/zinc/09/32/57/346093257.db2.gz GJOMWMJBUOYDRH-ZJUUUORDSA-N 1 1 178.279 2.245 10 0 AEAEMO C[C@H]1CC[N@@H+](Cc2ccc[nH]2)[C@@H]1C 307528226 346093290 /nfs/dbraw/zinc/09/32/90/346093290.db2.gz GJOMWMJBUOYDRH-VHSXEESVSA-N 1 1 178.279 2.245 10 0 AEAEMO C[C@@H]1CC[N@@H+](Cc2ccc[nH]2)[C@@H]1C 307528202 346093351 /nfs/dbraw/zinc/09/33/51/346093351.db2.gz GJOMWMJBUOYDRH-NXEZZACHSA-N 1 1 178.279 2.245 10 0 AEAEMO CC1=CC[N@@H+](Cc2cc[nH]c2)CC1 307534940 346097682 /nfs/dbraw/zinc/09/76/82/346097682.db2.gz NFBCGZLCHCCJQV-UHFFFAOYSA-N 1 1 176.263 2.167 10 0 AEAEMO CC[C@@H]1CCCN(c2[nH]cc[nH+]2)C1 307537220 346098770 /nfs/dbraw/zinc/09/87/70/346098770.db2.gz JFJPEWFFGFGADS-SECBINFHSA-N 1 1 179.267 2.036 10 0 AEAEMO Cc1cc(C[C@H]([NH3+])C(F)F)cs1 307538811 346099491 /nfs/dbraw/zinc/09/94/91/346099491.db2.gz KNOWBEUNLZWIHI-ZETCQYMHSA-N 1 1 191.246 2.191 10 0 AEAEMO Cc1cc(C[C@@H]([NH3+])C(F)F)cs1 307538807 346099640 /nfs/dbraw/zinc/09/96/40/346099640.db2.gz KNOWBEUNLZWIHI-SSDOTTSWSA-N 1 1 191.246 2.191 10 0 AEAEMO CC(C)[C@H](C)[N@H+](C)CC(F)F 307628833 346157083 /nfs/dbraw/zinc/15/70/83/346157083.db2.gz KOGNPVZUVDHVPW-ZETCQYMHSA-N 1 1 165.227 2.228 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)CC(F)F 307628833 346157084 /nfs/dbraw/zinc/15/70/84/346157084.db2.gz KOGNPVZUVDHVPW-ZETCQYMHSA-N 1 1 165.227 2.228 10 0 AEAEMO CC(=O)[C@@H](C)[N@H+]1C[C@@H](C)CC1(C)C 307542680 346102316 /nfs/dbraw/zinc/10/23/16/346102316.db2.gz ZPUIYQLBRPYHEO-DTWKUNHWSA-N 1 1 183.295 2.084 10 0 AEAEMO CC(=O)[C@@H](C)[N@H+]1C[C@H](C)CC1(C)C 307542686 346102341 /nfs/dbraw/zinc/10/23/41/346102341.db2.gz ZPUIYQLBRPYHEO-RKDXNWHRSA-N 1 1 183.295 2.084 10 0 AEAEMO CC(=O)[C@H](C)[N@H+]1C[C@H](C)CC1(C)C 307542677 346102456 /nfs/dbraw/zinc/10/24/56/346102456.db2.gz ZPUIYQLBRPYHEO-BDAKNGLRSA-N 1 1 183.295 2.084 10 0 AEAEMO CC(=O)[C@H](C)[N@H+]1C[C@@H](C)CC1(C)C 307542683 346102461 /nfs/dbraw/zinc/10/24/61/346102461.db2.gz ZPUIYQLBRPYHEO-IUCAKERBSA-N 1 1 183.295 2.084 10 0 AEAEMO CC1=CC[N@H+](C2CCC2)CC1 307543900 346103035 /nfs/dbraw/zinc/10/30/35/346103035.db2.gz VFGJVGBDSWZAKN-UHFFFAOYSA-N 1 1 151.253 2.191 10 0 AEAEMO CCC[N@H+]1CCCC12CCC2 307551226 346107825 /nfs/dbraw/zinc/10/78/25/346107825.db2.gz PIZCURNTHAQFCU-UHFFFAOYSA-N 1 1 153.269 2.415 10 0 AEAEMO CC[N@@H+](C)CC1(SC)CCC1 307560007 346112731 /nfs/dbraw/zinc/11/27/31/346112731.db2.gz GVUSGBMPBWKMSW-UHFFFAOYSA-N 1 1 173.325 2.224 10 0 AEAEMO C/C=C/CNc1cccc(C)[nH+]1 307563557 346114505 /nfs/dbraw/zinc/11/45/05/346114505.db2.gz PKNHPHYRDCTSCJ-ONEGZZNKSA-N 1 1 162.236 2.378 10 0 AEAEMO C[C@H]1CSCC[N@H+](C2CCC2)C1 307565707 346116063 /nfs/dbraw/zinc/11/60/63/346116063.db2.gz CNUMGRBDJIAELU-SECBINFHSA-N 1 1 185.336 2.224 10 0 AEAEMO CCC[N@@H+](C)[C@@H]1C[C@H](C)O[C@H](C)C1 307566489 346116796 /nfs/dbraw/zinc/11/67/96/346116796.db2.gz OGTKVUSFLSTCRN-URLYPYJESA-N 1 1 185.311 2.284 10 0 AEAEMO Cc1cc(C(F)(F)C[NH3+])cs1 307567533 346117546 /nfs/dbraw/zinc/11/75/46/346117546.db2.gz UGCZVLFEKWRWMH-UHFFFAOYSA-N 1 1 177.219 2.107 10 0 AEAEMO Cc1cc(N[C@@H]2CC[C@@H]2C)nc(C)[nH+]1 307571471 346120194 /nfs/dbraw/zinc/12/01/94/346120194.db2.gz DBVGNTRTUHTDSB-OIBJUYFYSA-N 1 1 191.278 2.304 10 0 AEAEMO Cc1cc(N[C@H]2CC[C@@H]2C)nc(C)[nH+]1 307571473 346120330 /nfs/dbraw/zinc/12/03/30/346120330.db2.gz DBVGNTRTUHTDSB-XVKPBYJWSA-N 1 1 191.278 2.304 10 0 AEAEMO Cc1cc(N[C@H]2CC[C@H]2C)nc(C)[nH+]1 307571472 346120431 /nfs/dbraw/zinc/12/04/31/346120431.db2.gz DBVGNTRTUHTDSB-XCBNKYQSSA-N 1 1 191.278 2.304 10 0 AEAEMO CC1=C[C@@H](C)C[N@@H+](CCCF)C1 307583010 346127787 /nfs/dbraw/zinc/12/77/87/346127787.db2.gz XENLULCXFODYKP-SECBINFHSA-N 1 1 171.259 2.244 10 0 AEAEMO CC1=C[C@H](C)C[N@@H+](CCCF)C1 307583011 346127930 /nfs/dbraw/zinc/12/79/30/346127930.db2.gz XENLULCXFODYKP-VIFPVBQESA-N 1 1 171.259 2.244 10 0 AEAEMO CC(C)CC[N@H+]1CCS[C@@H](C)C1 307583120 346128268 /nfs/dbraw/zinc/12/82/68/346128268.db2.gz XSFSTMQCRAPUNJ-JTQLQIEISA-N 1 1 187.352 2.470 10 0 AEAEMO CC[C@H]1[C@H](CO)CC[N@H+]1C1CCCC1 307591304 346133694 /nfs/dbraw/zinc/13/36/94/346133694.db2.gz HGGGUFOADOZMRU-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H]1[C@H](CO)CC[N@H+]1C1CCCC1 307591303 346133742 /nfs/dbraw/zinc/13/37/42/346133742.db2.gz HGGGUFOADOZMRU-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H]1[C@@H](CO)CC[N@H+]1C1CCCC1 307591305 346133763 /nfs/dbraw/zinc/13/37/63/346133763.db2.gz HGGGUFOADOZMRU-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H]1[C@@H](CO)CC[N@H+]1C1CCCC1 307591306 346133769 /nfs/dbraw/zinc/13/37/69/346133769.db2.gz HGGGUFOADOZMRU-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H]1CC[N@H+]1Cc1ccn(C)c1 307594495 346135225 /nfs/dbraw/zinc/13/52/25/346135225.db2.gz KFICRUDWYVKOON-LLVKDONJSA-N 1 1 178.279 2.009 10 0 AEAEMO CC[C@H]1CC[N@H+]1Cc1ccn(C)c1 307594497 346135241 /nfs/dbraw/zinc/13/52/41/346135241.db2.gz KFICRUDWYVKOON-NSHDSACASA-N 1 1 178.279 2.009 10 0 AEAEMO CC[C@H]1CCCN1c1[nH]cc(C)[nH+]1 307596921 346136678 /nfs/dbraw/zinc/13/66/78/346136678.db2.gz NABLLDJFBKCSOQ-VIFPVBQESA-N 1 1 179.267 2.097 10 0 AEAEMO CC[C@@H]1CCCN1c1[nH]cc(C)[nH+]1 307596920 346137107 /nfs/dbraw/zinc/13/71/07/346137107.db2.gz NABLLDJFBKCSOQ-SECBINFHSA-N 1 1 179.267 2.097 10 0 AEAEMO CC1(C)CC[C@H]1Nc1[nH+]cccc1N 307603958 346141078 /nfs/dbraw/zinc/14/10/78/346141078.db2.gz UZDKJHQAEXCOFH-SECBINFHSA-N 1 1 191.278 2.264 10 0 AEAEMO CC1(C)CC[C@@H]1Nc1[nH+]cccc1N 307603959 346141347 /nfs/dbraw/zinc/14/13/47/346141347.db2.gz UZDKJHQAEXCOFH-VIFPVBQESA-N 1 1 191.278 2.264 10 0 AEAEMO Cc1ccc(NCC(C)(F)F)[nH+]c1 307605148 346142365 /nfs/dbraw/zinc/14/23/65/346142365.db2.gz XUJASSUMSYXBGW-UHFFFAOYSA-N 1 1 186.205 2.457 10 0 AEAEMO CC[C@](C)([C@H](C)O)[N@H+]1CCCC[C@H]1C 307614331 346147844 /nfs/dbraw/zinc/14/78/44/346147844.db2.gz NFNLQPAHCIRBIA-GRYCIOLGSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[C@](C)([C@@H](C)O)[N@H+]1CCCC[C@H]1C 307614332 346147889 /nfs/dbraw/zinc/14/78/89/346147889.db2.gz NFNLQPAHCIRBIA-IJLUTSLNSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[C@](C)([C@@H](C)O)[N@H+]1CCCC[C@@H]1C 307614333 346147911 /nfs/dbraw/zinc/14/79/11/346147911.db2.gz NFNLQPAHCIRBIA-QJPTWQEYSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[C@](C)([C@H](C)O)[N@H+]1CCCC[C@@H]1C 307614334 346147937 /nfs/dbraw/zinc/14/79/37/346147937.db2.gz NFNLQPAHCIRBIA-SDDRHHMPSA-N 1 1 199.338 2.410 10 0 AEAEMO Cc1[nH+]cn(COC(C)(C)C)c1C 307616297 346149805 /nfs/dbraw/zinc/14/98/05/346149805.db2.gz PXVDXRHTNDGOHV-UHFFFAOYSA-N 1 1 182.267 2.273 10 0 AEAEMO CC(C)[C@@H](C)[N@H+](C)CC(F)F 307628832 346156972 /nfs/dbraw/zinc/15/69/72/346156972.db2.gz KOGNPVZUVDHVPW-SSDOTTSWSA-N 1 1 165.227 2.228 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)CC(F)F 307628832 346156975 /nfs/dbraw/zinc/15/69/75/346156975.db2.gz KOGNPVZUVDHVPW-SSDOTTSWSA-N 1 1 165.227 2.228 10 0 AEAEMO CC[C@]1(C)C[N@H+](C2CCC2)CCO1 307629623 346157446 /nfs/dbraw/zinc/15/74/46/346157446.db2.gz XLOYMWOZTYFLIO-LLVKDONJSA-N 1 1 183.295 2.040 10 0 AEAEMO CC[C@@]1(C)C[N@H+](C2CCC2)CCO1 307629624 346157617 /nfs/dbraw/zinc/15/76/17/346157617.db2.gz XLOYMWOZTYFLIO-NSHDSACASA-N 1 1 183.295 2.040 10 0 AEAEMO CC[C@](C)([C@H](C)N)[N@H+]1C[C@@H](C)C[C@H]1C 307631109 346158667 /nfs/dbraw/zinc/15/86/67/346158667.db2.gz ORGKTYYHAGIYSN-WHOHXGKFSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@](C)([C@H](C)N)[N@H+]1C[C@H](C)C[C@@H]1C 307631108 346158795 /nfs/dbraw/zinc/15/87/95/346158795.db2.gz ORGKTYYHAGIYSN-NOOOWODRSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@](C)([C@H](C)N)[N@H+]1C[C@@H](C)C[C@@H]1C 307631107 346158807 /nfs/dbraw/zinc/15/88/07/346158807.db2.gz ORGKTYYHAGIYSN-FIQHERPVSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@](C)([C@H](C)N)[N@H+]1C[C@H](C)C[C@H]1C 307631110 346158971 /nfs/dbraw/zinc/15/89/71/346158971.db2.gz ORGKTYYHAGIYSN-WISYIIOYSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@H]1CC[N@H+]1C[C@H]1CCCCO1 307634597 346160708 /nfs/dbraw/zinc/16/07/08/346160708.db2.gz TYRWNWFYDGITLV-WDEREUQCSA-N 1 1 183.295 2.040 10 0 AEAEMO CC[C@@H]1CC[N@H+]1C[C@H]1CCCCO1 307634594 346160737 /nfs/dbraw/zinc/16/07/37/346160737.db2.gz TYRWNWFYDGITLV-GHMZBOCLSA-N 1 1 183.295 2.040 10 0 AEAEMO CC[C@H]1CC[N@H+]1C[C@@H]1CCCCO1 307634596 346160748 /nfs/dbraw/zinc/16/07/48/346160748.db2.gz TYRWNWFYDGITLV-QWRGUYRKSA-N 1 1 183.295 2.040 10 0 AEAEMO CC[C@@H]1CC[N@H+]1C[C@@H]1CCCCO1 307634595 346160752 /nfs/dbraw/zinc/16/07/52/346160752.db2.gz TYRWNWFYDGITLV-MNOVXSKESA-N 1 1 183.295 2.040 10 0 AEAEMO CC[C@@H]1CC[N@@H+]1Cc1nc(C)cs1 307637409 346161594 /nfs/dbraw/zinc/16/15/94/346161594.db2.gz YOQLMXWSBWFJHO-SECBINFHSA-N 1 1 196.319 2.436 10 0 AEAEMO CC[C@@H]1CC[N@H+]1Cc1nc(C)cs1 307637409 346161596 /nfs/dbraw/zinc/16/15/96/346161596.db2.gz YOQLMXWSBWFJHO-SECBINFHSA-N 1 1 196.319 2.436 10 0 AEAEMO CC[C@H]1CC[N@@H+]1Cc1nc(C)cs1 307637567 346161811 /nfs/dbraw/zinc/16/18/11/346161811.db2.gz YOQLMXWSBWFJHO-VIFPVBQESA-N 1 1 196.319 2.436 10 0 AEAEMO CC[C@H]1CC[N@H+]1Cc1nc(C)cs1 307637567 346161813 /nfs/dbraw/zinc/16/18/13/346161813.db2.gz YOQLMXWSBWFJHO-VIFPVBQESA-N 1 1 196.319 2.436 10 0 AEAEMO CC1(C)CC[N@H+]([C@@H]2CCC[C@]2(C)O)C1 307647728 346166090 /nfs/dbraw/zinc/16/60/90/346166090.db2.gz NXRAALRRMBGXBA-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO CC1(C)CC[N@H+]([C@H]2CCC[C@]2(C)O)C1 307647726 346166270 /nfs/dbraw/zinc/16/62/70/346166270.db2.gz NXRAALRRMBGXBA-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO CC1(C)CC[N@H+]([C@H]2CCC[C@@]2(C)O)C1 307647723 346166278 /nfs/dbraw/zinc/16/62/78/346166278.db2.gz NXRAALRRMBGXBA-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO CC1(C)CC[N@H+]([C@@H]2CCC[C@@]2(C)O)C1 307647730 346166346 /nfs/dbraw/zinc/16/63/46/346166346.db2.gz NXRAALRRMBGXBA-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H]1C[C@@H](C)CN1c1[nH]cc[nH+]1 307665669 346172181 /nfs/dbraw/zinc/17/21/81/346172181.db2.gz LZYHSVCJZKTICD-RKDXNWHRSA-N 1 1 179.267 2.035 10 0 AEAEMO CC[C@@H]1C[C@H](C)CN1c1[nH]cc[nH+]1 307665667 346172216 /nfs/dbraw/zinc/17/22/16/346172216.db2.gz LZYHSVCJZKTICD-DTWKUNHWSA-N 1 1 179.267 2.035 10 0 AEAEMO CC[C@H]1C[C@H](C)CN1c1[nH]cc[nH+]1 307665668 346172239 /nfs/dbraw/zinc/17/22/39/346172239.db2.gz LZYHSVCJZKTICD-IUCAKERBSA-N 1 1 179.267 2.035 10 0 AEAEMO CC[C@H]1C[C@@H](C)CN1c1[nH]cc[nH+]1 307665666 346172300 /nfs/dbraw/zinc/17/23/00/346172300.db2.gz LZYHSVCJZKTICD-BDAKNGLRSA-N 1 1 179.267 2.035 10 0 AEAEMO Cc1occc1[C@H]([NH3+])c1ccns1 307667059 346172723 /nfs/dbraw/zinc/17/27/23/346172723.db2.gz OAHMJTAXDDJKEQ-VIFPVBQESA-N 1 1 194.259 2.093 10 0 AEAEMO Cc1occc1[C@@H]([NH3+])c1ccns1 307667058 346172857 /nfs/dbraw/zinc/17/28/57/346172857.db2.gz OAHMJTAXDDJKEQ-SECBINFHSA-N 1 1 194.259 2.093 10 0 AEAEMO Cc1ncsc1C[N@@H+]1C[C@@H](C)[C@H]1C 307674768 346176335 /nfs/dbraw/zinc/17/63/35/346176335.db2.gz CRWVHOUTKKILFO-VXNVDRBHSA-N 1 1 196.319 2.292 10 0 AEAEMO Cc1ncsc1C[N@@H+]1C[C@H](C)[C@@H]1C 307674764 346176353 /nfs/dbraw/zinc/17/63/53/346176353.db2.gz CRWVHOUTKKILFO-CBAPKCEASA-N 1 1 196.319 2.292 10 0 AEAEMO Cc1ncsc1C[N@@H+]1C[C@@H](C)[C@@H]1C 307674762 346176375 /nfs/dbraw/zinc/17/63/75/346176375.db2.gz CRWVHOUTKKILFO-APPZFPTMSA-N 1 1 196.319 2.292 10 0 AEAEMO CSCC[N@H+]1CCCC[C@H](C)C1 307686138 346182988 /nfs/dbraw/zinc/18/29/88/346182988.db2.gz CUERRISYQYJOCY-JTQLQIEISA-N 1 1 187.352 2.471 10 0 AEAEMO CSCC[N@H+]1CCCC[C@@H](C)C1 307686141 346183078 /nfs/dbraw/zinc/18/30/78/346183078.db2.gz CUERRISYQYJOCY-SNVBAGLBSA-N 1 1 187.352 2.471 10 0 AEAEMO CCCC[N@H+]1CCCOC(C)(C)C1 307688145 346184625 /nfs/dbraw/zinc/18/46/25/346184625.db2.gz FCGAIZYRPAMKJQ-UHFFFAOYSA-N 1 1 185.311 2.287 10 0 AEAEMO Cc1cccc([C@@H]2[NH2+]CCS2)c1F 307690046 346185526 /nfs/dbraw/zinc/18/55/26/346185526.db2.gz HIZJILHGBIYVAG-SNVBAGLBSA-N 1 1 197.278 2.469 10 0 AEAEMO Cc1cccc([C@H]2[NH2+]CCS2)c1F 307690045 346185630 /nfs/dbraw/zinc/18/56/30/346185630.db2.gz HIZJILHGBIYVAG-JTQLQIEISA-N 1 1 197.278 2.469 10 0 AEAEMO CSCCC[N@H+]1[C@@H](C)C[C@H]1C 307694004 346187504 /nfs/dbraw/zinc/18/75/04/346187504.db2.gz VHCHSDSCYWZQHU-DTORHVGOSA-N 1 1 173.325 2.222 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1Cc1ccccn1 307696208 346189294 /nfs/dbraw/zinc/18/92/94/346189294.db2.gz KADCWHSHDKAEQC-AOOOYVTPSA-N 1 1 176.263 2.064 10 0 AEAEMO CSCCC[N@H+]1C[C@H](C)[C@@H]1C 307698440 346190413 /nfs/dbraw/zinc/19/04/13/346190413.db2.gz HZHJIMHIOUDFGF-IUCAKERBSA-N 1 1 173.325 2.080 10 0 AEAEMO CC1=CCC[N@H+](C2CCC2)C1 307698545 346190434 /nfs/dbraw/zinc/19/04/34/346190434.db2.gz NCKCTOYUTXUTIA-UHFFFAOYSA-N 1 1 151.253 2.191 10 0 AEAEMO Cc1[nH]ncc1[C@H](C)[NH2+]C(C)(C)C 307698155 346190537 /nfs/dbraw/zinc/19/05/37/346190537.db2.gz HNUKMPXCMIXYIW-ZETCQYMHSA-N 1 1 181.283 2.167 10 0 AEAEMO CSCCC[N@H+]1C[C@@H](C)[C@@H]1C 307698437 346190644 /nfs/dbraw/zinc/19/06/44/346190644.db2.gz HZHJIMHIOUDFGF-BDAKNGLRSA-N 1 1 173.325 2.080 10 0 AEAEMO CSCCC[N@H+]1C[C@H](C)[C@H]1C 307698439 346190656 /nfs/dbraw/zinc/19/06/56/346190656.db2.gz HZHJIMHIOUDFGF-DTWKUNHWSA-N 1 1 173.325 2.080 10 0 AEAEMO Cc1[nH]ncc1[C@@H](C)[NH2+]C(C)(C)C 307698154 346190746 /nfs/dbraw/zinc/19/07/46/346190746.db2.gz HNUKMPXCMIXYIW-SSDOTTSWSA-N 1 1 181.283 2.167 10 0 AEAEMO CSCCC[N@H+]1C[C@@H](C)[C@H]1C 307698442 346190775 /nfs/dbraw/zinc/19/07/75/346190775.db2.gz HZHJIMHIOUDFGF-RKDXNWHRSA-N 1 1 173.325 2.080 10 0 AEAEMO CC(C)(F)[C@H]([NH3+])c1ccco1 307699043 346190962 /nfs/dbraw/zinc/19/09/62/346190962.db2.gz NXSABKDJXFTRMF-SSDOTTSWSA-N 1 1 157.188 2.028 10 0 AEAEMO CC(C)(F)[C@@H]([NH3+])c1ccco1 307699044 346191153 /nfs/dbraw/zinc/19/11/53/346191153.db2.gz NXSABKDJXFTRMF-ZETCQYMHSA-N 1 1 157.188 2.028 10 0 AEAEMO CC[C@@H]1CC[N@H+]1CC1CCC1 307709946 346196697 /nfs/dbraw/zinc/19/66/97/346196697.db2.gz NXJFJTXTOOYTCL-SNVBAGLBSA-N 1 1 153.269 2.271 10 0 AEAEMO c1c[nH+]c(N2CCCCCCC2)[nH]1 307709825 346196706 /nfs/dbraw/zinc/19/67/06/346196706.db2.gz NLBPKSQLVHKINQ-UHFFFAOYSA-N 1 1 179.267 2.180 10 0 AEAEMO Cc1ncc(C[N@@H+]2C[C@@H](C)[C@@H]2C)s1 307712394 346197695 /nfs/dbraw/zinc/19/76/95/346197695.db2.gz WVZBQARDWUFWFC-SFYZADRCSA-N 1 1 196.319 2.292 10 0 AEAEMO Cc1ncc(C[N@@H+]2C[C@H](C)[C@@H]2C)s1 307712395 346197722 /nfs/dbraw/zinc/19/77/22/346197722.db2.gz WVZBQARDWUFWFC-YUMQZZPRSA-N 1 1 196.319 2.292 10 0 AEAEMO Cc1cccc(NCC2(F)CC2)[nH+]1 307711896 346197782 /nfs/dbraw/zinc/19/77/82/346197782.db2.gz VLWFGVRNTTVSFV-UHFFFAOYSA-N 1 1 180.226 2.304 10 0 AEAEMO Cc1ncc(C[N@@H+]2C[C@H](C)[C@H]2C)s1 307712393 346197980 /nfs/dbraw/zinc/19/79/80/346197980.db2.gz WVZBQARDWUFWFC-JGVFFNPUSA-N 1 1 196.319 2.292 10 0 AEAEMO Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H]2C)s1 307712392 346198104 /nfs/dbraw/zinc/19/81/04/346198104.db2.gz WVZBQARDWUFWFC-HTQZYQBOSA-N 1 1 196.319 2.292 10 0 AEAEMO C[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc[nH]1 307729513 346206773 /nfs/dbraw/zinc/20/67/73/346206773.db2.gz FYUFUWDRZKVBRG-ZJUUUORDSA-N 1 1 178.279 2.245 10 0 AEAEMO C[C@H]1C[C@H](C)[N@@H+](Cc2ccc[nH]2)C1 307729507 346206826 /nfs/dbraw/zinc/20/68/26/346206826.db2.gz FYUFUWDRZKVBRG-UWVGGRQHSA-N 1 1 178.279 2.245 10 0 AEAEMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc[nH]2)C1 307729505 346206878 /nfs/dbraw/zinc/20/68/78/346206878.db2.gz FYUFUWDRZKVBRG-NXEZZACHSA-N 1 1 178.279 2.245 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@@H+](Cc2ccc[nH]2)C1 307729510 346207043 /nfs/dbraw/zinc/20/70/43/346207043.db2.gz FYUFUWDRZKVBRG-VHSXEESVSA-N 1 1 178.279 2.245 10 0 AEAEMO Cc1cocc1[C@H]([NH3+])c1cncs1 307731716 346208818 /nfs/dbraw/zinc/20/88/18/346208818.db2.gz NNXCUBRUTLKZCK-VIFPVBQESA-N 1 1 194.259 2.093 10 0 AEAEMO Cc1cocc1[C@@H]([NH3+])c1cncs1 307731715 346208832 /nfs/dbraw/zinc/20/88/32/346208832.db2.gz NNXCUBRUTLKZCK-SECBINFHSA-N 1 1 194.259 2.093 10 0 AEAEMO CC1(C)CCC[N@H+]1C[C@H]1CCCO1 307738332 346211974 /nfs/dbraw/zinc/21/19/74/346211974.db2.gz WMRUNDPIBASDRZ-SNVBAGLBSA-N 1 1 183.295 2.040 10 0 AEAEMO CC[C@H]1C[N@H+](C2CCC2)C[C@H](C)O1 307740445 346212568 /nfs/dbraw/zinc/21/25/68/346212568.db2.gz HMUNZLFODJDVSJ-ONGXEEELSA-N 1 1 183.295 2.038 10 0 AEAEMO CC[C@@H]1C[N@H+](C2CCC2)C[C@@H](C)O1 307740444 346212632 /nfs/dbraw/zinc/21/26/32/346212632.db2.gz HMUNZLFODJDVSJ-MWLCHTKSSA-N 1 1 183.295 2.038 10 0 AEAEMO CC[C@H]1C[N@H+](C2CCC2)C[C@@H](C)O1 307740442 346212868 /nfs/dbraw/zinc/21/28/68/346212868.db2.gz HMUNZLFODJDVSJ-KOLCDFICSA-N 1 1 183.295 2.038 10 0 AEAEMO CC[C@@H]1C[N@H+](C2CCC2)C[C@H](C)O1 307740441 346212948 /nfs/dbraw/zinc/21/29/48/346212948.db2.gz HMUNZLFODJDVSJ-GXSJLCMTSA-N 1 1 183.295 2.038 10 0 AEAEMO CC1(C)CCC[N@H+]1Cc1ccc[nH]1 307742973 346213877 /nfs/dbraw/zinc/21/38/77/346213877.db2.gz LFNOOACHICTZBY-UHFFFAOYSA-N 1 1 178.279 2.389 10 0 AEAEMO CCc1ccc[nH+]c1NC1CSC1 307743688 346213959 /nfs/dbraw/zinc/21/39/59/346213959.db2.gz MPSIOQLFFRFBSR-UHFFFAOYSA-N 1 1 194.303 2.171 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1CCC1CC1 307744149 346214502 /nfs/dbraw/zinc/21/45/02/346214502.db2.gz OBVQORSXBHTSMJ-DTORHVGOSA-N 1 1 153.269 2.269 10 0 AEAEMO Cc1nc([C@@H]([NH3+])c2cccs2)co1 307745165 346215190 /nfs/dbraw/zinc/21/51/90/346215190.db2.gz QXYAHXQJLFZVBO-SECBINFHSA-N 1 1 194.259 2.093 10 0 AEAEMO Cc1nc([C@H]([NH3+])c2cccs2)co1 307745166 346215227 /nfs/dbraw/zinc/21/52/27/346215227.db2.gz QXYAHXQJLFZVBO-VIFPVBQESA-N 1 1 194.259 2.093 10 0 AEAEMO C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2CCC[C@@H]21 307747360 346217051 /nfs/dbraw/zinc/21/70/51/346217051.db2.gz YKWDWQLJYWFVBE-YTWAJWBKSA-N 1 1 165.280 2.127 10 0 AEAEMO C[C@@H]1C[C@@H]1C[N@H+]1C[C@H]2CCC[C@@H]21 307747357 346217099 /nfs/dbraw/zinc/21/70/99/346217099.db2.gz YKWDWQLJYWFVBE-DBIOUOCHSA-N 1 1 165.280 2.127 10 0 AEAEMO C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2CCC[C@H]21 307747359 346217128 /nfs/dbraw/zinc/21/71/28/346217128.db2.gz YKWDWQLJYWFVBE-LMLFDSFASA-N 1 1 165.280 2.127 10 0 AEAEMO CC(C)(C)C(C)(C)[N@@H+]1CCC(=O)C1 307747272 346217296 /nfs/dbraw/zinc/21/72/96/346217296.db2.gz YDGWGAMEAWFEIW-UHFFFAOYSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)(C)C(C)(C)[N@H+]1CCC(=O)C1 307747272 346217298 /nfs/dbraw/zinc/21/72/98/346217298.db2.gz YDGWGAMEAWFEIW-UHFFFAOYSA-N 1 1 183.295 2.086 10 0 AEAEMO C[C@@H]1C[C@@H]1C[N@H+]1C[C@H]2CCC[C@H]21 307747358 346217356 /nfs/dbraw/zinc/21/73/56/346217356.db2.gz YKWDWQLJYWFVBE-GWOFURMSSA-N 1 1 165.280 2.127 10 0 AEAEMO C[C@H]1CC[N@@H+](Cc2cc[nH]c2)[C@H]1C 307750357 346219445 /nfs/dbraw/zinc/21/94/45/346219445.db2.gz JPJCZPHHIODQFU-UWVGGRQHSA-N 1 1 178.279 2.245 10 0 AEAEMO C[C@H]1[C@H](C)CC[N@H+]1Cc1cc[nH]c1 307750359 346219539 /nfs/dbraw/zinc/21/95/39/346219539.db2.gz JPJCZPHHIODQFU-ZJUUUORDSA-N 1 1 178.279 2.245 10 0 AEAEMO CC[C@@H](CSC)[N@@H+](C)CCCF 307971740 346244806 /nfs/dbraw/zinc/24/48/06/346244806.db2.gz HQRINSXHVVXHSR-VIFPVBQESA-N 1 1 193.331 2.419 10 0 AEAEMO CC1=CCC[N@@H+](Cc2cc[nH]c2)C1 307752383 346221415 /nfs/dbraw/zinc/22/14/15/346221415.db2.gz RKYLQNHXBXRUFA-UHFFFAOYSA-N 1 1 176.263 2.167 10 0 AEAEMO C[C@H]([NH3+])c1cnc(-c2ccsc2)[nH]1 307752991 346222404 /nfs/dbraw/zinc/22/24/04/346222404.db2.gz ULIYORQHRIOOOD-LURJTMIESA-N 1 1 193.275 2.158 10 0 AEAEMO C[C@@H]([NH3+])c1cnc(-c2ccsc2)[nH]1 307752992 346222554 /nfs/dbraw/zinc/22/25/54/346222554.db2.gz ULIYORQHRIOOOD-ZCFIWIBFSA-N 1 1 193.275 2.158 10 0 AEAEMO Cc1csc(C[NH+]2[C@@H](C)C[C@@H]2C)n1 307753663 346222786 /nfs/dbraw/zinc/22/27/86/346222786.db2.gz WQUMYNAEKPEKSB-IUCAKERBSA-N 1 1 196.319 2.434 10 0 AEAEMO Cc1csc(C[N@@H+]2[C@@H](C)C[C@H]2C)n1 307753662 346222967 /nfs/dbraw/zinc/22/29/67/346222967.db2.gz WQUMYNAEKPEKSB-DTORHVGOSA-N 1 1 196.319 2.434 10 0 AEAEMO Cc1csc(C[N@H+]2[C@@H](C)C[C@H]2C)n1 307753662 346222970 /nfs/dbraw/zinc/22/29/70/346222970.db2.gz WQUMYNAEKPEKSB-DTORHVGOSA-N 1 1 196.319 2.434 10 0 AEAEMO Cc1csc(C[NH+]2[C@H](C)C[C@H]2C)n1 307753664 346223059 /nfs/dbraw/zinc/22/30/59/346223059.db2.gz WQUMYNAEKPEKSB-RKDXNWHRSA-N 1 1 196.319 2.434 10 0 AEAEMO CCSCC[N@H+]1[C@@H](C)C[C@H]1C 307757527 346225401 /nfs/dbraw/zinc/22/54/01/346225401.db2.gz LOSOOQJBKHBZPP-DTORHVGOSA-N 1 1 173.325 2.222 10 0 AEAEMO CC(C)C[C@H]1CC[N@@H+](CC(C)(C)O)C1 307847075 346229899 /nfs/dbraw/zinc/22/98/99/346229899.db2.gz PDHFVJIYWOOHNB-LLVKDONJSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)C[C@@H]1CC[N@@H+](CC(C)(C)O)C1 307847076 346229970 /nfs/dbraw/zinc/22/99/70/346229970.db2.gz PDHFVJIYWOOHNB-NSHDSACASA-N 1 1 199.338 2.125 10 0 AEAEMO CCSCC[C@H](C)[N@@H+](C)CC 307856835 346230551 /nfs/dbraw/zinc/23/05/51/346230551.db2.gz CUKGDOAVNRLQPI-VIFPVBQESA-N 1 1 175.341 2.470 10 0 AEAEMO CCSCC[C@@H](C)[N@@H+](C)CC 307856833 346230841 /nfs/dbraw/zinc/23/08/41/346230841.db2.gz CUKGDOAVNRLQPI-SECBINFHSA-N 1 1 175.341 2.470 10 0 AEAEMO C/C=C\C[N@H+]1[C@@H](C)CC[C@H]1C 307861071 346231361 /nfs/dbraw/zinc/23/13/61/346231361.db2.gz GWHQYYDQYHHWLY-QOYVELHUSA-N 1 1 153.269 2.435 10 0 AEAEMO C/C=C\C[N@H+]1CCC[C@@H]2C[C@@H]21 307891483 346232457 /nfs/dbraw/zinc/23/24/57/346232457.db2.gz ZVCXNWXDOVKNFH-LTFJCZIQSA-N 1 1 151.253 2.047 10 0 AEAEMO CCSCC[N@H+]1CC[C@@H]1CC 307917462 346234855 /nfs/dbraw/zinc/23/48/55/346234855.db2.gz CAUCUJCAQFZMPD-VIFPVBQESA-N 1 1 173.325 2.224 10 0 AEAEMO CCSCC[N@H+]1CC[C@H]1CC 307917461 346234979 /nfs/dbraw/zinc/23/49/79/346234979.db2.gz CAUCUJCAQFZMPD-SECBINFHSA-N 1 1 173.325 2.224 10 0 AEAEMO CC[C@H]1CC[N@H+]1CCCSC 307920036 346235353 /nfs/dbraw/zinc/23/53/53/346235353.db2.gz IGPXFKXXFHCSLL-VIFPVBQESA-N 1 1 173.325 2.224 10 0 AEAEMO Cl/C=C\C[N@H+]1C[C@@H]2CCC[C@H]21 307919556 346235371 /nfs/dbraw/zinc/23/53/71/346235371.db2.gz GWYOMMWZQVJQPT-UESWHYPVSA-N 1 1 171.671 2.223 10 0 AEAEMO CC[C@@H]1CC[N@H+]1CCCSC 307920035 346235396 /nfs/dbraw/zinc/23/53/96/346235396.db2.gz IGPXFKXXFHCSLL-SECBINFHSA-N 1 1 173.325 2.224 10 0 AEAEMO Cl/C=C\C[N@H+]1C[C@@H]2CCC[C@@H]21 307919554 346235581 /nfs/dbraw/zinc/23/55/81/346235581.db2.gz GWYOMMWZQVJQPT-MGQLQWOVSA-N 1 1 171.671 2.223 10 0 AEAEMO C/C=C\C[NH2+]Cc1csc(C)n1 307930780 346236760 /nfs/dbraw/zinc/23/67/60/346236760.db2.gz CAIZFZWLNPLTON-ARJAWSKDSA-N 1 1 182.292 2.117 10 0 AEAEMO CCC[N@@H+](CCSC)C1CC1 307934378 346236978 /nfs/dbraw/zinc/23/69/78/346236978.db2.gz XDYYKSOMMACFGL-UHFFFAOYSA-N 1 1 173.325 2.224 10 0 AEAEMO CCCSCCn1cc[nH+]c1C 307943140 346238198 /nfs/dbraw/zinc/23/81/98/346238198.db2.gz FCYDHWJMOVXQTQ-UHFFFAOYSA-N 1 1 184.308 2.335 10 0 AEAEMO CC[C@H](CSC)[N@@H+](C)CCCF 307971739 346244800 /nfs/dbraw/zinc/24/48/00/346244800.db2.gz HQRINSXHVVXHSR-SECBINFHSA-N 1 1 193.331 2.419 10 0 AEAEMO C/C=C\C[N@H+]1CCS[C@H](C)[C@@H]1C 308038285 346251756 /nfs/dbraw/zinc/25/17/56/346251756.db2.gz LSMIMPGMAWNSGA-YVDHIRPGSA-N 1 1 185.336 2.388 10 0 AEAEMO C/C=C\C[N@H+]1CCS[C@H](C)[C@H]1C 308038280 346251851 /nfs/dbraw/zinc/25/18/51/346251851.db2.gz LSMIMPGMAWNSGA-BYIQDMNASA-N 1 1 185.336 2.388 10 0 AEAEMO CC[C@@H]1CC[N@H+]1CC1(SC)CC1 308092429 346255861 /nfs/dbraw/zinc/25/58/61/346255861.db2.gz VDDDBXYKPUIVJO-SECBINFHSA-N 1 1 185.336 2.366 10 0 AEAEMO CC[C@H]1CC[N@H+]1CC1(SC)CC1 308092430 346256050 /nfs/dbraw/zinc/25/60/50/346256050.db2.gz VDDDBXYKPUIVJO-VIFPVBQESA-N 1 1 185.336 2.366 10 0 AEAEMO CCCCC[N@@H+](C)C[C@H]1CCCO1 308208461 346269503 /nfs/dbraw/zinc/26/95/03/346269503.db2.gz DWKQFKLXWYLUHR-LLVKDONJSA-N 1 1 185.311 2.287 10 0 AEAEMO CCCCC[N@@H+](C)C[C@@H]1CCCO1 308208462 346269879 /nfs/dbraw/zinc/26/98/79/346269879.db2.gz DWKQFKLXWYLUHR-NSHDSACASA-N 1 1 185.311 2.287 10 0 AEAEMO CC(C)=CC[N@H+](C)C[C@@H]1CCCO1 308216699 346271056 /nfs/dbraw/zinc/27/10/56/346271056.db2.gz AITODHDLUXKVIS-NSHDSACASA-N 1 1 183.295 2.063 10 0 AEAEMO COCCCC[N@@H+](C)[C@@H](C)C(C)C 308220233 346271909 /nfs/dbraw/zinc/27/19/09/346271909.db2.gz CBHLMTWXXRQGMK-NSHDSACASA-N 1 1 187.327 2.389 10 0 AEAEMO COCCCC[N@@H+](C)[C@H](C)C(C)C 308220232 346271920 /nfs/dbraw/zinc/27/19/20/346271920.db2.gz CBHLMTWXXRQGMK-LLVKDONJSA-N 1 1 187.327 2.389 10 0 AEAEMO CCOCC[N@H+]1CCC[C@@H]1C(C)C 308295611 346283223 /nfs/dbraw/zinc/28/32/23/346283223.db2.gz HYLZWPGHMXSUHH-LLVKDONJSA-N 1 1 185.311 2.143 10 0 AEAEMO CCOCC[N@H+]1CCC[C@H]1C(C)C 308295616 346283685 /nfs/dbraw/zinc/28/36/85/346283685.db2.gz HYLZWPGHMXSUHH-NSHDSACASA-N 1 1 185.311 2.143 10 0 AEAEMO C/C=C\C[N@H+]1C[C@@H](C)OC(C)(C)C1 308305716 346285546 /nfs/dbraw/zinc/28/55/46/346285546.db2.gz OFDIBCQJLLWXGG-WWQCOOJYSA-N 1 1 183.295 2.062 10 0 AEAEMO C/C=C\C[N@H+]1C[C@H](C)OC(C)(C)C1 308305715 346285795 /nfs/dbraw/zinc/28/57/95/346285795.db2.gz OFDIBCQJLLWXGG-OMMCCPJFSA-N 1 1 183.295 2.062 10 0 AEAEMO C/C=C\C[NH2+]C1CCN(CCC)CC1 308404044 346298793 /nfs/dbraw/zinc/29/87/93/346298793.db2.gz HGGOOZWZYUMMJV-HYXAFXHYSA-N 1 1 196.338 2.027 10 0 AEAEMO COCCCCC[N@@H+](C)CC1CC1 308438411 346303249 /nfs/dbraw/zinc/30/32/49/346303249.db2.gz XUQGFTXLXLNCEB-UHFFFAOYSA-N 1 1 185.311 2.145 10 0 AEAEMO CCCCC[N@H+]1C[C@@H](C)OC[C@H]1C 308459368 346305284 /nfs/dbraw/zinc/30/52/84/346305284.db2.gz GZUZLWHOAHLKCU-GHMZBOCLSA-N 1 1 185.311 2.286 10 0 AEAEMO CCCCC[N@H+]1C[C@H](C)OC[C@@H]1C 308459370 346305291 /nfs/dbraw/zinc/30/52/91/346305291.db2.gz GZUZLWHOAHLKCU-QWRGUYRKSA-N 1 1 185.311 2.286 10 0 AEAEMO CCCCC[N@H+]1C[C@@H](C)OC[C@@H]1C 308459371 346305341 /nfs/dbraw/zinc/30/53/41/346305341.db2.gz GZUZLWHOAHLKCU-WDEREUQCSA-N 1 1 185.311 2.286 10 0 AEAEMO CCCCC[N@H+]1C[C@H](C)OC[C@H]1C 308459369 346305399 /nfs/dbraw/zinc/30/53/99/346305399.db2.gz GZUZLWHOAHLKCU-MNOVXSKESA-N 1 1 185.311 2.286 10 0 AEAEMO CCCCOCC[N@@H+](C)C1CCC1 308457954 346305441 /nfs/dbraw/zinc/30/54/41/346305441.db2.gz GPVRGKTZDRZPLS-UHFFFAOYSA-N 1 1 185.311 2.287 10 0 AEAEMO CCCCC[N@H+]1C[C@@H]2CC[C@H](C1)O2 308474805 346306187 /nfs/dbraw/zinc/30/61/87/346306187.db2.gz LRLKIIXYKBBLHP-PHIMTYICSA-N 1 1 183.295 2.040 10 0 AEAEMO C/C=C/C[NH2+]Cc1csc(CC)n1 328094000 346325205 /nfs/dbraw/zinc/32/52/05/346325205.db2.gz GBBFEQCLULFCTB-HWKANZROSA-N 1 1 196.319 2.371 10 0 AEAEMO C/C=C\C[NH2+]Cc1csc(CC)n1 328094001 346325316 /nfs/dbraw/zinc/32/53/16/346325316.db2.gz GBBFEQCLULFCTB-HYXAFXHYSA-N 1 1 196.319 2.371 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1C[C@@H]1CCOC1 334149910 346327972 /nfs/dbraw/zinc/32/79/72/346327972.db2.gz JQIHSHGEQIAIFN-RYUDHWBXSA-N 1 1 197.322 2.287 10 0 AEAEMO CC(C)[C@@H]1CC[N@H+]1CC1=CCCOC1 334181910 346329343 /nfs/dbraw/zinc/32/93/43/346329343.db2.gz CYEJLMOWGBJFGB-LBPRGKRZSA-N 1 1 195.306 2.063 10 0 AEAEMO CC(C)[C@H]1CC[N@H+]1CC1=CCCOC1 334181909 346329347 /nfs/dbraw/zinc/32/93/47/346329347.db2.gz CYEJLMOWGBJFGB-GFCCVEGCSA-N 1 1 195.306 2.063 10 0 AEAEMO C[C@H]1C[C@@H](C)C[N@@H+]1CC1=CCCOC1 334187322 346330303 /nfs/dbraw/zinc/33/03/03/346330303.db2.gz GXMVYEHHSFSMKV-MNOVXSKESA-N 1 1 195.306 2.063 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@@H+](CC2=CCCOC2)C1 334187328 346330552 /nfs/dbraw/zinc/33/05/52/346330552.db2.gz GXMVYEHHSFSMKV-WDEREUQCSA-N 1 1 195.306 2.063 10 0 AEAEMO Cc1cccnc1C[N@@H+]1C[C@H](C)[C@@H]1C 334207620 346332230 /nfs/dbraw/zinc/33/22/30/346332230.db2.gz CBLBJPOGXOSKRJ-QWRGUYRKSA-N 1 1 190.290 2.230 10 0 AEAEMO Cc1cccnc1C[N@@H+]1C[C@H](C)[C@H]1C 334207629 346332258 /nfs/dbraw/zinc/33/22/58/346332258.db2.gz CBLBJPOGXOSKRJ-WDEREUQCSA-N 1 1 190.290 2.230 10 0 AEAEMO Cc1cccnc1C[N@@H+]1C[C@@H](C)[C@H]1C 334207614 346332427 /nfs/dbraw/zinc/33/24/27/346332427.db2.gz CBLBJPOGXOSKRJ-GHMZBOCLSA-N 1 1 190.290 2.230 10 0 AEAEMO Cc1cccnc1C[N@@H+]1C[C@@H](C)[C@@H]1C 334207617 346332456 /nfs/dbraw/zinc/33/24/56/346332456.db2.gz CBLBJPOGXOSKRJ-MNOVXSKESA-N 1 1 190.290 2.230 10 0 AEAEMO CC1(C)CCC[N@H+]1Cc1cccnc1 334208403 346332529 /nfs/dbraw/zinc/33/25/29/346332529.db2.gz JZFQZAZTXNTREN-UHFFFAOYSA-N 1 1 190.290 2.456 10 0 AEAEMO CC1=C[C@@H](C)C[N@@H+](CCC(C)(C)O)C1 334248011 346334531 /nfs/dbraw/zinc/33/45/31/346334531.db2.gz OHDHSCZEVFFGTF-SNVBAGLBSA-N 1 1 197.322 2.045 10 0 AEAEMO C[C@H]1C[N@@H+](CCC2CCOCC2)[C@@H]1C 334246561 346334544 /nfs/dbraw/zinc/33/45/44/346334544.db2.gz URLFXVPXHKIJBV-WDEREUQCSA-N 1 1 197.322 2.143 10 0 AEAEMO CC1=C[C@H](C)C[N@@H+](CCC(C)(C)O)C1 334248010 346334585 /nfs/dbraw/zinc/33/45/85/346334585.db2.gz OHDHSCZEVFFGTF-JTQLQIEISA-N 1 1 197.322 2.045 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1CCC1CCOCC1 334246558 346334621 /nfs/dbraw/zinc/33/46/21/346334621.db2.gz URLFXVPXHKIJBV-MNOVXSKESA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@H]1C[N@@H+](CCC2CCOCC2)[C@H]1C 334246559 346334640 /nfs/dbraw/zinc/33/46/40/346334640.db2.gz URLFXVPXHKIJBV-QWRGUYRKSA-N 1 1 197.322 2.143 10 0 AEAEMO Cc1ccncc1C[N@@H+]1C[C@H](C)[C@H]1C 334261195 346335819 /nfs/dbraw/zinc/33/58/19/346335819.db2.gz XRJVXZLCUHRIFF-WDEREUQCSA-N 1 1 190.290 2.230 10 0 AEAEMO Cc1ccncc1C[N@@H+]1C[C@H](C)[C@@H]1C 334261194 346335855 /nfs/dbraw/zinc/33/58/55/346335855.db2.gz XRJVXZLCUHRIFF-QWRGUYRKSA-N 1 1 190.290 2.230 10 0 AEAEMO Cc1ccncc1C[N@@H+]1C[C@@H](C)[C@H]1C 334261192 346336372 /nfs/dbraw/zinc/33/63/72/346336372.db2.gz XRJVXZLCUHRIFF-GHMZBOCLSA-N 1 1 190.290 2.230 10 0 AEAEMO Cc1ccncc1C[N@@H+]1C[C@@H](C)[C@@H]1C 334261193 346336454 /nfs/dbraw/zinc/33/64/54/346336454.db2.gz XRJVXZLCUHRIFF-MNOVXSKESA-N 1 1 190.290 2.230 10 0 AEAEMO C[C@H]1C[N@H+](Cc2cncc(F)c2)[C@@H]1C 334286492 346337643 /nfs/dbraw/zinc/33/76/43/346337643.db2.gz CJUFHOUBJPRETF-DTWKUNHWSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1Cc1cncc(F)c1 334286491 346337676 /nfs/dbraw/zinc/33/76/76/346337676.db2.gz CJUFHOUBJPRETF-BDAKNGLRSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1Cc1cnc[nH]1 334279527 346337796 /nfs/dbraw/zinc/33/77/96/346337796.db2.gz QGAOOZXDFBJCQC-JTQLQIEISA-N 1 1 193.294 2.174 10 0 AEAEMO C[C@H]1CCCCC[N@@H+]1Cc1c[nH]cn1 334279527 346337799 /nfs/dbraw/zinc/33/77/99/346337799.db2.gz QGAOOZXDFBJCQC-JTQLQIEISA-N 1 1 193.294 2.174 10 0 AEAEMO C[C@H]1CCCC[N@H+]1CC1=CCCOC1 334286304 346337943 /nfs/dbraw/zinc/33/79/43/346337943.db2.gz CGXIFQHZUWCZJA-NSHDSACASA-N 1 1 195.306 2.208 10 0 AEAEMO C[C@H]1C[N@H+](Cc2cncc(F)c2)[C@H]1C 334286493 346338296 /nfs/dbraw/zinc/33/82/96/346338296.db2.gz CJUFHOUBJPRETF-IUCAKERBSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@H]1C[N@@H+](Cc2cncc(F)c2)[C@H]1C 334286493 346338298 /nfs/dbraw/zinc/33/82/98/346338298.db2.gz CJUFHOUBJPRETF-IUCAKERBSA-N 1 1 194.253 2.061 10 0 AEAEMO CC1C[NH+](Cc2cc(F)ccc2F)C1 334295138 346339063 /nfs/dbraw/zinc/33/90/63/346339063.db2.gz VRQHSFHCWCJWFP-UHFFFAOYSA-N 1 1 197.228 2.417 10 0 AEAEMO C[C@H]1CCC[N@@H+](Cc2ncc[nH]2)CC1 334303631 346339076 /nfs/dbraw/zinc/33/90/76/346339076.db2.gz FSVYSHNQVQPMMF-JTQLQIEISA-N 1 1 193.294 2.032 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@@H+]1Cc1cncc(F)c1 334337754 346341853 /nfs/dbraw/zinc/34/18/53/346341853.db2.gz WMJDXQZWMVKURN-DTORHVGOSA-N 1 1 194.253 2.203 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1Cc1cncc(F)c1 334337754 346341855 /nfs/dbraw/zinc/34/18/55/346341855.db2.gz WMJDXQZWMVKURN-DTORHVGOSA-N 1 1 194.253 2.203 10 0 AEAEMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC1CC1 334367620 346343902 /nfs/dbraw/zinc/34/39/02/346343902.db2.gz KSVXUCJRDDLDPH-WPRPVWTQSA-N 1 1 196.294 2.032 10 0 AEAEMO CC1C[NH+](Cc2ccc(F)cc2F)C1 334407471 346345774 /nfs/dbraw/zinc/34/57/74/346345774.db2.gz HFIUBWNQXPYBBA-UHFFFAOYSA-N 1 1 197.228 2.417 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1C[C@H]1CCCO1 334421437 346346532 /nfs/dbraw/zinc/34/65/32/346346532.db2.gz UBSXUWVPMYGUPO-NWDGAFQWSA-N 1 1 197.322 2.430 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1Cc1cc[nH]n1 334424930 346346988 /nfs/dbraw/zinc/34/69/88/346346988.db2.gz UDHYSLLLLBJABK-JTQLQIEISA-N 1 1 193.294 2.174 10 0 AEAEMO Cc1cccc(C[N@@H+]2C[C@H](C)[C@@H]2C)n1 334436891 346347696 /nfs/dbraw/zinc/34/76/96/346347696.db2.gz QLSHTTRJCONQRB-ONGXEEELSA-N 1 1 190.290 2.230 10 0 AEAEMO Cc1n[nH]cc1C[N@H+]1CCCC1(C)C 334464690 346348841 /nfs/dbraw/zinc/34/88/41/346348841.db2.gz BRIOTLWMLWITOB-UHFFFAOYSA-N 1 1 193.294 2.093 10 0 AEAEMO Cc1[nH]ncc1C[N@@H+]1CCCC1(C)C 334464690 346348843 /nfs/dbraw/zinc/34/88/43/346348843.db2.gz BRIOTLWMLWITOB-UHFFFAOYSA-N 1 1 193.294 2.093 10 0 AEAEMO Cc1[nH]ncc1C[N@H+]1CCCC1(C)C 334464690 346348848 /nfs/dbraw/zinc/34/88/48/346348848.db2.gz BRIOTLWMLWITOB-UHFFFAOYSA-N 1 1 193.294 2.093 10 0 AEAEMO C[C@H]1CCC[N@@H+](Cc2c[nH]cn2)CC1 334474598 346349490 /nfs/dbraw/zinc/34/94/90/346349490.db2.gz MXELBPFTJDLKHZ-JTQLQIEISA-N 1 1 193.294 2.032 10 0 AEAEMO C[N@@H+](C[C@@H]1CCCO1)[C@H]1C=CCCC1 334535638 346352134 /nfs/dbraw/zinc/35/21/34/346352134.db2.gz WDAOMVMIMYPZGC-RYUDHWBXSA-N 1 1 195.306 2.206 10 0 AEAEMO C[N@@H+](C[C@@H]1CCCO1)[C@@H]1C=CCCC1 334535637 346352415 /nfs/dbraw/zinc/35/24/15/346352415.db2.gz WDAOMVMIMYPZGC-NEPJUHHUSA-N 1 1 195.306 2.206 10 0 AEAEMO C[C@H]1C[N@H+](Cc2ccncc2F)[C@@H]1C 334548464 346352945 /nfs/dbraw/zinc/35/29/45/346352945.db2.gz WFBIJQUPRIGYFH-DTWKUNHWSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@H]1C[N@@H+](Cc2ccncc2F)[C@@H]1C 334548464 346352948 /nfs/dbraw/zinc/35/29/48/346352948.db2.gz WFBIJQUPRIGYFH-DTWKUNHWSA-N 1 1 194.253 2.061 10 0 AEAEMO CC[C@@H]1CC[N@H+]1Cc1cccnc1C 334537835 346353024 /nfs/dbraw/zinc/35/30/24/346353024.db2.gz WRJQENKKCIVALK-GFCCVEGCSA-N 1 1 190.290 2.374 10 0 AEAEMO C[C@H]1C[N@H+](Cc2ccncc2F)[C@H]1C 334548465 346353261 /nfs/dbraw/zinc/35/32/61/346353261.db2.gz WFBIJQUPRIGYFH-IUCAKERBSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@H]1C[N@@H+](Cc2ccncc2F)[C@H]1C 334548465 346353265 /nfs/dbraw/zinc/35/32/65/346353265.db2.gz WFBIJQUPRIGYFH-IUCAKERBSA-N 1 1 194.253 2.061 10 0 AEAEMO CC[C@H]1CC[N@H+]1Cc1cccnc1C 334537836 346353611 /nfs/dbraw/zinc/35/36/11/346353611.db2.gz WRJQENKKCIVALK-LBPRGKRZSA-N 1 1 190.290 2.374 10 0 AEAEMO C[C@H]1[C@H](C)C[N@@H+]1Cc1ccncc1F 334548463 346353650 /nfs/dbraw/zinc/35/36/50/346353650.db2.gz WFBIJQUPRIGYFH-BDAKNGLRSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1Cc1ccncc1F 334548463 346353653 /nfs/dbraw/zinc/35/36/53/346353653.db2.gz WFBIJQUPRIGYFH-BDAKNGLRSA-N 1 1 194.253 2.061 10 0 AEAEMO C[N@@H+](Cc1ccno1)C1(C)CCCC1 334570357 346354790 /nfs/dbraw/zinc/35/47/90/346354790.db2.gz RBIMTYKYSWQNFS-UHFFFAOYSA-N 1 1 194.278 2.439 10 0 AEAEMO Cc1noc(C)c1C[N@H+]1[C@@H](C)C[C@H]1C 334607329 346356444 /nfs/dbraw/zinc/35/64/44/346356444.db2.gz GXLYAXHAKJGGCN-OCAPTIKFSA-N 1 1 194.278 2.274 10 0 AEAEMO C[C@H]1CCCC[N@@H+](Cc2cc[nH]n2)C1 334639710 346358068 /nfs/dbraw/zinc/35/80/68/346358068.db2.gz YNKUPUYBXATQFF-JTQLQIEISA-N 1 1 193.294 2.032 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1CCc1cncs1 334646787 346358763 /nfs/dbraw/zinc/35/87/63/346358763.db2.gz NLIZUGYLILMVCX-DTORHVGOSA-N 1 1 196.319 2.168 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1CCC1CCOCC1 334659582 346359260 /nfs/dbraw/zinc/35/92/60/346359260.db2.gz MFRCCQUTSPQKEC-PHIMTYICSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@@H+]1Cc1ccncc1F 334679294 346360525 /nfs/dbraw/zinc/36/05/25/346360525.db2.gz XEUUDLPAZFUPHG-DTORHVGOSA-N 1 1 194.253 2.203 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1Cc1ccncc1F 334679294 346360528 /nfs/dbraw/zinc/36/05/28/346360528.db2.gz XEUUDLPAZFUPHG-DTORHVGOSA-N 1 1 194.253 2.203 10 0 AEAEMO Cc1cnccc1C[N@H+]1[C@@H](C)C[C@H]1C 334679375 346360604 /nfs/dbraw/zinc/36/06/04/346360604.db2.gz XQQYCFIOGKGCRF-PHIMTYICSA-N 1 1 190.290 2.373 10 0 AEAEMO C[C@H]1C[C@H](C)[NH+]1Cc1ccncc1F 334679296 346360766 /nfs/dbraw/zinc/36/07/66/346360766.db2.gz XEUUDLPAZFUPHG-IUCAKERBSA-N 1 1 194.253 2.203 10 0 AEAEMO Cc1nc(C[NH+]2[C@H](C)C[C@H]2C)oc1C 334778330 346364026 /nfs/dbraw/zinc/36/40/26/346364026.db2.gz WYLHOWNGWDAYIR-HTQZYQBOSA-N 1 1 194.278 2.274 10 0 AEAEMO Cc1nc(C[N@@H+]2[C@@H](C)C[C@H]2C)oc1C 334778331 346364096 /nfs/dbraw/zinc/36/40/96/346364096.db2.gz WYLHOWNGWDAYIR-OCAPTIKFSA-N 1 1 194.278 2.274 10 0 AEAEMO Cc1nc(C[N@H+]2[C@@H](C)C[C@H]2C)oc1C 334778331 346364097 /nfs/dbraw/zinc/36/40/97/346364097.db2.gz WYLHOWNGWDAYIR-OCAPTIKFSA-N 1 1 194.278 2.274 10 0 AEAEMO CCC1(C)C[NH+](Cc2conc2C)C1 334786381 346364207 /nfs/dbraw/zinc/36/42/07/346364207.db2.gz HPMRESJFVDWZOX-UHFFFAOYSA-N 1 1 194.278 2.215 10 0 AEAEMO Cc1nc(C[NH+]2[C@@H](C)C[C@@H]2C)oc1C 334778332 346364248 /nfs/dbraw/zinc/36/42/48/346364248.db2.gz WYLHOWNGWDAYIR-YUMQZZPRSA-N 1 1 194.278 2.274 10 0 AEAEMO C[N@@H+](Cc1cc[nH]n1)C1(C)CCCC1 334798818 346365013 /nfs/dbraw/zinc/36/50/13/346365013.db2.gz HPXHXIIUCSNCDH-UHFFFAOYSA-N 1 1 193.294 2.174 10 0 AEAEMO Cc1cncc(C[N@@H+]2C[C@H](C)[C@@H]2C)c1 334942524 346370690 /nfs/dbraw/zinc/37/06/90/346370690.db2.gz OXKZHNOPCCJXSE-QWRGUYRKSA-N 1 1 190.290 2.230 10 0 AEAEMO Cc1cncc(C[N@@H+]2C[C@@H](C)[C@@H]2C)c1 334942523 346370700 /nfs/dbraw/zinc/37/07/00/346370700.db2.gz OXKZHNOPCCJXSE-MNOVXSKESA-N 1 1 190.290 2.230 10 0 AEAEMO Cc1cncc(C[N@@H+]2C[C@@H](C)[C@H]2C)c1 334942522 346370718 /nfs/dbraw/zinc/37/07/18/346370718.db2.gz OXKZHNOPCCJXSE-GHMZBOCLSA-N 1 1 190.290 2.230 10 0 AEAEMO Cc1cncc(C[N@@H+]2C[C@H](C)[C@H]2C)c1 334942525 346370729 /nfs/dbraw/zinc/37/07/29/346370729.db2.gz OXKZHNOPCCJXSE-WDEREUQCSA-N 1 1 190.290 2.230 10 0 AEAEMO Cc1cn[nH]c1C[NH+]1[C@@H](C)CC[C@@H]1C 334953469 346371085 /nfs/dbraw/zinc/37/10/85/346371085.db2.gz XEQKBKOBCXZMIN-UWVGGRQHSA-N 1 1 193.294 2.091 10 0 AEAEMO Cc1c[nH]nc1C[N@H+]1[C@@H](C)CC[C@H]1C 334953467 346371167 /nfs/dbraw/zinc/37/11/67/346371167.db2.gz XEQKBKOBCXZMIN-AOOOYVTPSA-N 1 1 193.294 2.091 10 0 AEAEMO Cc1cn[nH]c1C[N@@H+]1[C@@H](C)CC[C@H]1C 334953467 346371170 /nfs/dbraw/zinc/37/11/70/346371170.db2.gz XEQKBKOBCXZMIN-AOOOYVTPSA-N 1 1 193.294 2.091 10 0 AEAEMO Cc1cn[nH]c1C[N@H+]1[C@@H](C)CC[C@H]1C 334953467 346371171 /nfs/dbraw/zinc/37/11/71/346371171.db2.gz XEQKBKOBCXZMIN-AOOOYVTPSA-N 1 1 193.294 2.091 10 0 AEAEMO CC[C@@H](O)C[N@H+]1CC2(CCC2)C[C@@H]1C 334947653 346371340 /nfs/dbraw/zinc/37/13/40/346371340.db2.gz FPHQFPNKTXUHFR-WDEREUQCSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H](O)C[N@H+]1CC2(CCC2)C[C@H]1C 334947650 346371400 /nfs/dbraw/zinc/37/14/00/346371400.db2.gz FPHQFPNKTXUHFR-GHMZBOCLSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H](O)C[N@H+]1CC2(CCC2)C[C@@H]1C 334947652 346371418 /nfs/dbraw/zinc/37/14/18/346371418.db2.gz FPHQFPNKTXUHFR-QWRGUYRKSA-N 1 1 197.322 2.022 10 0 AEAEMO Cc1cn[nH]c1C[NH+]1[C@H](C)CC[C@H]1C 334953468 346371439 /nfs/dbraw/zinc/37/14/39/346371439.db2.gz XEQKBKOBCXZMIN-NXEZZACHSA-N 1 1 193.294 2.091 10 0 AEAEMO CC[C@H](O)C[N@H+]1CC2(CCC2)C[C@H]1C 334947651 346371488 /nfs/dbraw/zinc/37/14/88/346371488.db2.gz FPHQFPNKTXUHFR-MNOVXSKESA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H](N)[C@@H](C)[NH2+]C1CCC2(CC1)CC2 335016078 346374296 /nfs/dbraw/zinc/37/42/96/346374296.db2.gz AGWIMXYQHKEULU-VHSXEESVSA-N 1 1 196.338 2.035 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+]C1CCC2(CC1)CC2 335016076 346374413 /nfs/dbraw/zinc/37/44/13/346374413.db2.gz AGWIMXYQHKEULU-UWVGGRQHSA-N 1 1 196.338 2.035 10 0 AEAEMO CC1=CCC[N@@H+](Cc2cc(C)on2)C1 335023098 346374698 /nfs/dbraw/zinc/37/46/98/346374698.db2.gz DYCABUODQMOPFR-UHFFFAOYSA-N 1 1 192.262 2.135 10 0 AEAEMO CC1=CCC[N@H+](Cc2cc(C)on2)C1 335023098 346374700 /nfs/dbraw/zinc/37/47/00/346374700.db2.gz DYCABUODQMOPFR-UHFFFAOYSA-N 1 1 192.262 2.135 10 0 AEAEMO CC1=CCC[N@@H+](Cc2ncc(C)o2)C1 335023105 346374730 /nfs/dbraw/zinc/37/47/30/346374730.db2.gz HNBLVXPLVTZDOT-UHFFFAOYSA-N 1 1 192.262 2.135 10 0 AEAEMO CC1=CCC[N@H+](Cc2ncc(C)o2)C1 335023105 346374734 /nfs/dbraw/zinc/37/47/34/346374734.db2.gz HNBLVXPLVTZDOT-UHFFFAOYSA-N 1 1 192.262 2.135 10 0 AEAEMO C[C@H]([NH2+]C1CCC2(CC1)CC2)[C@@H](C)N 335016079 346374767 /nfs/dbraw/zinc/37/47/67/346374767.db2.gz AGWIMXYQHKEULU-ZJUUUORDSA-N 1 1 196.338 2.035 10 0 AEAEMO CC1CC([NH2+][C@H]2CCCCC[C@H]2N)C1 335030407 346375357 /nfs/dbraw/zinc/37/53/57/346375357.db2.gz CRPWTDRJAQUXRP-HCWSGVFWSA-N 1 1 196.338 2.035 10 0 AEAEMO CC1CC([NH2+][C@@H]2CCCCC[C@H]2N)C1 335030409 346375490 /nfs/dbraw/zinc/37/54/90/346375490.db2.gz CRPWTDRJAQUXRP-KIDURHIOSA-N 1 1 196.338 2.035 10 0 AEAEMO CC1CC([NH2+][C@@H]2CCCCC[C@@H]2N)C1 335030410 346375518 /nfs/dbraw/zinc/37/55/18/346375518.db2.gz CRPWTDRJAQUXRP-MMVSWEMESA-N 1 1 196.338 2.035 10 0 AEAEMO CC1=C(C)C[N@@H+](C[C@H](O)C(C)C)CC1 335186975 346382792 /nfs/dbraw/zinc/38/27/92/346382792.db2.gz IZMOPEAHTMPUIH-LBPRGKRZSA-N 1 1 197.322 2.045 10 0 AEAEMO CCCC[N@H+]1CC[C@H](O)CC12CCC2 335155379 346380916 /nfs/dbraw/zinc/38/09/16/346380916.db2.gz LMRFTVUDCGJXQK-NSHDSACASA-N 1 1 197.322 2.166 10 0 AEAEMO CCCC[N@H+]1CC[C@@H](O)CC12CCC2 335155377 346381085 /nfs/dbraw/zinc/38/10/85/346381085.db2.gz LMRFTVUDCGJXQK-LLVKDONJSA-N 1 1 197.322 2.166 10 0 AEAEMO C[N@@H+](Cc1cc[nH]n1)C1CC(C)(C)C1 335170269 346381804 /nfs/dbraw/zinc/38/18/04/346381804.db2.gz TWLBFOJPWQUJFN-UHFFFAOYSA-N 1 1 193.294 2.030 10 0 AEAEMO Cc1c[nH]nc1C[N@H+]1CCCC1(C)C 335181674 346381850 /nfs/dbraw/zinc/38/18/50/346381850.db2.gz HTHBMMKCPAEJDM-UHFFFAOYSA-N 1 1 193.294 2.093 10 0 AEAEMO Cc1cn[nH]c1C[N@@H+]1CCCC1(C)C 335181674 346381853 /nfs/dbraw/zinc/38/18/53/346381853.db2.gz HTHBMMKCPAEJDM-UHFFFAOYSA-N 1 1 193.294 2.093 10 0 AEAEMO Cc1cn[nH]c1C[N@H+]1CCCC1(C)C 335181674 346381855 /nfs/dbraw/zinc/38/18/55/346381855.db2.gz HTHBMMKCPAEJDM-UHFFFAOYSA-N 1 1 193.294 2.093 10 0 AEAEMO C[C@H]1CC(C)(C)C[N@H+]1CCC1(O)CC1 335187366 346382646 /nfs/dbraw/zinc/38/26/46/346382646.db2.gz CHMJRIJVTFPUTG-JTQLQIEISA-N 1 1 197.322 2.022 10 0 AEAEMO CC1=C(C)C[N@@H+](C[C@@H](O)C(C)C)CC1 335186974 346382711 /nfs/dbraw/zinc/38/27/11/346382711.db2.gz IZMOPEAHTMPUIH-GFCCVEGCSA-N 1 1 197.322 2.045 10 0 AEAEMO CC1(C)CCC[N@H+]1CC1=CCCOC1 335202715 346383251 /nfs/dbraw/zinc/38/32/51/346383251.db2.gz LEECTZKSRNNSOO-UHFFFAOYSA-N 1 1 195.306 2.208 10 0 AEAEMO CC1=C[C@@H](C)C[N@@H+](Cc2ccno2)C1 335231180 346384059 /nfs/dbraw/zinc/38/40/59/346384059.db2.gz KNNMOKOKXNAJAJ-SECBINFHSA-N 1 1 192.262 2.073 10 0 AEAEMO CC1=C[C@H](C)C[N@@H+](Cc2ccno2)C1 335231181 346384269 /nfs/dbraw/zinc/38/42/69/346384269.db2.gz KNNMOKOKXNAJAJ-VIFPVBQESA-N 1 1 192.262 2.073 10 0 AEAEMO Cc1ccc(C[N@H+]2[C@@H](C)C[C@H]2C)cn1 335272455 346386040 /nfs/dbraw/zinc/38/60/40/346386040.db2.gz UGSISLULWVBCOH-PHIMTYICSA-N 1 1 190.290 2.373 10 0 AEAEMO CC(C)[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 335294664 346386482 /nfs/dbraw/zinc/38/64/82/346386482.db2.gz DOTYADVNCLVXGA-NWDGAFQWSA-N 1 1 197.322 2.001 10 0 AEAEMO Cc1cc(C[N@@H+]2CC[C@H](C)[C@H]2C)on1 335294455 346386527 /nfs/dbraw/zinc/38/65/27/346386527.db2.gz AIUIZUPVVSLZBP-WCBMZHEXSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)on1 335294450 346386631 /nfs/dbraw/zinc/38/66/31/346386631.db2.gz AIUIZUPVVSLZBP-SCZZXKLOSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H]2C)on1 335294459 346386666 /nfs/dbraw/zinc/38/66/66/346386666.db2.gz AIUIZUPVVSLZBP-WPRPVWTQSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H]2C)on1 335294444 346386809 /nfs/dbraw/zinc/38/68/09/346386809.db2.gz AIUIZUPVVSLZBP-PSASIEDQSA-N 1 1 194.278 2.213 10 0 AEAEMO CC(C)[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 335294661 346386829 /nfs/dbraw/zinc/38/68/29/346386829.db2.gz DOTYADVNCLVXGA-NEPJUHHUSA-N 1 1 197.322 2.001 10 0 AEAEMO CC(C)[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 335294669 346386867 /nfs/dbraw/zinc/38/68/67/346386867.db2.gz DOTYADVNCLVXGA-VXGBXAGGSA-N 1 1 197.322 2.001 10 0 AEAEMO C[C@H]1CC[C@]2(CC[N@@H+](CC(N)=O)C2)C1 335312895 346389014 /nfs/dbraw/zinc/38/90/14/346389014.db2.gz HVKRJZIUSFBOMT-ONGXEEELSA-N 1 1 196.294 2.034 10 0 AEAEMO C[C@H]1CC[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 335312888 346389315 /nfs/dbraw/zinc/38/93/15/346389315.db2.gz HVKRJZIUSFBOMT-GXSJLCMTSA-N 1 1 196.294 2.034 10 0 AEAEMO CCc1nocc1C[N@H+]1[C@@H](C)C[C@H]1C 335311159 346389355 /nfs/dbraw/zinc/38/93/55/346389355.db2.gz NXDBWMHMXYYYDG-DTORHVGOSA-N 1 1 194.278 2.220 10 0 AEAEMO C[N@@H+](C[C@H]1CCOC1)C1(C)CCCC1 335321557 346389998 /nfs/dbraw/zinc/38/99/98/346389998.db2.gz KXOXOHSCYXUGMG-LLVKDONJSA-N 1 1 197.322 2.287 10 0 AEAEMO C[N@@H+](C[C@@H]1CCOC1)C1(C)CCCC1 335321560 346390080 /nfs/dbraw/zinc/39/00/80/346390080.db2.gz KXOXOHSCYXUGMG-NSHDSACASA-N 1 1 197.322 2.287 10 0 AEAEMO CC1(C[N@H+]2CC[C@@H](F)C2)CCC1 335406145 346394564 /nfs/dbraw/zinc/39/45/64/346394564.db2.gz JQJIEFXQFJPFSO-SECBINFHSA-N 1 1 171.259 2.220 10 0 AEAEMO CC1(C[N@H+]2CC[C@H](F)C2)CCC1 335406146 346395367 /nfs/dbraw/zinc/39/53/67/346395367.db2.gz JQJIEFXQFJPFSO-VIFPVBQESA-N 1 1 171.259 2.220 10 0 AEAEMO C[C@H]1CC(C)(C)C[N@H+]1CC1(O)CCC1 335427045 346395919 /nfs/dbraw/zinc/39/59/19/346395919.db2.gz HNFPJXAMKPSFRQ-JTQLQIEISA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1CC(C)(C)C[N@H+]1Cc1ncc[nH]1 335433731 346396788 /nfs/dbraw/zinc/39/67/88/346396788.db2.gz AXOIAIKIDAEPTK-VIFPVBQESA-N 1 1 193.294 2.030 10 0 AEAEMO C[C@H]1CC(C)(C)C[N@H+]1CCC(C)(C)O 335435915 346396796 /nfs/dbraw/zinc/39/67/96/346396796.db2.gz LIRRVIYOHPFLTN-JTQLQIEISA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H]1CC(C)(C)C[N@H+]1Cc1ccon1 335433697 346396803 /nfs/dbraw/zinc/39/68/03/346396803.db2.gz ACFHSUNADHKZRK-VIFPVBQESA-N 1 1 194.278 2.295 10 0 AEAEMO C[N@@H+](CC1=CCCOC1)C(C)(C)C 335448624 346397481 /nfs/dbraw/zinc/39/74/81/346397481.db2.gz BVDXBBBZLSQSND-UHFFFAOYSA-N 1 1 183.295 2.063 10 0 AEAEMO Cc1cc(C[N@H+](C)C(C)(C)C)ncn1 335456621 346398687 /nfs/dbraw/zinc/39/86/87/346398687.db2.gz VJPUUJDRYLKLNG-UHFFFAOYSA-N 1 1 193.294 2.015 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1C[C@@H]1CCCO1 335492527 346400701 /nfs/dbraw/zinc/40/07/01/346400701.db2.gz UBSXUWVPMYGUPO-RYUDHWBXSA-N 1 1 197.322 2.430 10 0 AEAEMO CC1=CCC[N@@H+](C[C@H](O)C(C)(C)C)C1 335556537 346404491 /nfs/dbraw/zinc/40/44/91/346404491.db2.gz WZRDYUVVFDXKAP-NSHDSACASA-N 1 1 197.322 2.045 10 0 AEAEMO CC1=CCC[N@@H+](C[C@@H](O)C(C)(C)C)C1 335556535 346404597 /nfs/dbraw/zinc/40/45/97/346404597.db2.gz WZRDYUVVFDXKAP-LLVKDONJSA-N 1 1 197.322 2.045 10 0 AEAEMO CC1=CC[N@@H+](C[C@@H](O)C(C)(C)C)CC1 335557950 346405219 /nfs/dbraw/zinc/40/52/19/346405219.db2.gz BIBWPIMQRVNHNV-LLVKDONJSA-N 1 1 197.322 2.045 10 0 AEAEMO CC1=CC[N@@H+](C[C@H](O)C(C)(C)C)CC1 335557951 346405354 /nfs/dbraw/zinc/40/53/54/346405354.db2.gz BIBWPIMQRVNHNV-NSHDSACASA-N 1 1 197.322 2.045 10 0 AEAEMO CC1=CCC[N@@H+](Cc2ccncc2)C1 335577535 346406343 /nfs/dbraw/zinc/40/63/43/346406343.db2.gz FUOKMRUVJGNTRH-UHFFFAOYSA-N 1 1 188.274 2.234 10 0 AEAEMO CC1(C[N@H+]2C[C@@H]3C[C@H]2CS3)CCC1 335583608 346407027 /nfs/dbraw/zinc/40/70/27/346407027.db2.gz GFMBCXPBIRSYCY-UWVGGRQHSA-N 1 1 197.347 2.366 10 0 AEAEMO Cc1ccncc1C[N@H+]1[C@@H](C)C[C@H]1C 335689899 346414609 /nfs/dbraw/zinc/41/46/09/346414609.db2.gz CDNUREWXDAKRPR-PHIMTYICSA-N 1 1 190.290 2.373 10 0 AEAEMO C[C@H]1C[C@H](O)C[C@@H](C)[N@H+]1CC1CCC1 335699430 346414822 /nfs/dbraw/zinc/41/48/22/346414822.db2.gz ZTHPOTKDUXQDSQ-PEGIJTEDSA-N 1 1 197.322 2.020 10 0 AEAEMO CC1C[NH+](Cc2cc(F)cc(F)c2)C1 335726818 346416513 /nfs/dbraw/zinc/41/65/13/346416513.db2.gz XPDMBNZBRGPNHP-UHFFFAOYSA-N 1 1 197.228 2.417 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 335748064 346417623 /nfs/dbraw/zinc/41/76/23/346417623.db2.gz IDXLEVCOYLOFFP-NEPJUHHUSA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@H]1CC[C@@H](C[N@H+]2CCC23CCC3)O1 335753093 346417657 /nfs/dbraw/zinc/41/76/57/346417657.db2.gz UHXUZCZLEYUVSD-QWRGUYRKSA-N 1 1 195.306 2.182 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 335748067 346417727 /nfs/dbraw/zinc/41/77/27/346417727.db2.gz IDXLEVCOYLOFFP-VXGBXAGGSA-N 1 1 197.322 2.143 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 335748066 346417770 /nfs/dbraw/zinc/41/77/70/346417770.db2.gz IDXLEVCOYLOFFP-RYUDHWBXSA-N 1 1 197.322 2.143 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 335748065 346417929 /nfs/dbraw/zinc/41/79/29/346417929.db2.gz IDXLEVCOYLOFFP-NWDGAFQWSA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@H]1CC[C@H](C[N@H+]2CCC23CCC3)O1 335753094 346417942 /nfs/dbraw/zinc/41/79/42/346417942.db2.gz UHXUZCZLEYUVSD-WDEREUQCSA-N 1 1 195.306 2.182 10 0 AEAEMO Cc1cnc(C[N@H+](C)C(C)(C)C)nc1 335801719 346420686 /nfs/dbraw/zinc/42/06/86/346420686.db2.gz PICJQWHZHUIGSK-UHFFFAOYSA-N 1 1 193.294 2.015 10 0 AEAEMO Cc1ccncc1C[N@@H+]1CCC[C@@H]1C 335801705 346420905 /nfs/dbraw/zinc/42/09/05/346420905.db2.gz NQGSZQYLVFQCPW-NSHDSACASA-N 1 1 190.290 2.374 10 0 AEAEMO CC[C@H]1CC[N@H+]1Cc1ccc(C)nc1 335811508 346420944 /nfs/dbraw/zinc/42/09/44/346420944.db2.gz ACJZSLIOUGUMIA-LBPRGKRZSA-N 1 1 190.290 2.374 10 0 AEAEMO CC[C@@H]1CC[N@H+]1Cc1ccc(C)nc1 335811507 346421107 /nfs/dbraw/zinc/42/11/07/346421107.db2.gz ACJZSLIOUGUMIA-GFCCVEGCSA-N 1 1 190.290 2.374 10 0 AEAEMO Cc1ccncc1C[N@@H+]1CCC[C@H]1C 335801704 346421123 /nfs/dbraw/zinc/42/11/23/346421123.db2.gz NQGSZQYLVFQCPW-LLVKDONJSA-N 1 1 190.290 2.374 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1Cc1cccc(O)c1 335804474 346421174 /nfs/dbraw/zinc/42/11/74/346421174.db2.gz HCQLWMUUNMRUIA-AOOOYVTPSA-N 1 1 191.274 2.375 10 0 AEAEMO Cc1cccc(C[N@H+]2[C@@H](C)C[C@H]2C)n1 335824946 346421589 /nfs/dbraw/zinc/42/15/89/346421589.db2.gz UIMAURSOANFYBD-PHIMTYICSA-N 1 1 190.290 2.373 10 0 AEAEMO Cc1c[nH]nc1C[N@H+](C)C1CCCC1 335835778 346422670 /nfs/dbraw/zinc/42/26/70/346422670.db2.gz VXJVXUDCHGWKCN-UHFFFAOYSA-N 1 1 193.294 2.093 10 0 AEAEMO Cc1cn[nH]c1C[N@@H+](C)C1CCCC1 335835778 346422672 /nfs/dbraw/zinc/42/26/72/346422672.db2.gz VXJVXUDCHGWKCN-UHFFFAOYSA-N 1 1 193.294 2.093 10 0 AEAEMO C[C@H]1CCCC[N@@H+](CCC2(O)CC2)C1 335880721 346425829 /nfs/dbraw/zinc/42/58/29/346425829.db2.gz JFQGKVDNQJIBQE-NSHDSACASA-N 1 1 197.322 2.023 10 0 AEAEMO Cc1ccc(C[N@H+](C)C2CC2)c(C)n1 335875445 346425854 /nfs/dbraw/zinc/42/58/54/346425854.db2.gz KIFQUIGHJAYKCL-UHFFFAOYSA-N 1 1 190.290 2.293 10 0 AEAEMO CC1(C)CCC[N@@H+](CCC2(O)CC2)C1 335875752 346425917 /nfs/dbraw/zinc/42/59/17/346425917.db2.gz MUWPQEBUYLHHMN-UHFFFAOYSA-N 1 1 197.322 2.023 10 0 AEAEMO CC[C@H]1CC[N@H+]1Cc1c(C)noc1C 335890459 346426208 /nfs/dbraw/zinc/42/62/08/346426208.db2.gz ORNLAOUJMREGMG-JTQLQIEISA-N 1 1 194.278 2.276 10 0 AEAEMO CC[C@H]1CC[N@@H+]1Cc1cncc(F)c1 335889968 346426222 /nfs/dbraw/zinc/42/62/22/346426222.db2.gz FNOJXPBFPCKKQV-NSHDSACASA-N 1 1 194.253 2.205 10 0 AEAEMO CC[C@H]1CC[N@H+]1Cc1cncc(F)c1 335889968 346426224 /nfs/dbraw/zinc/42/62/24/346426224.db2.gz FNOJXPBFPCKKQV-NSHDSACASA-N 1 1 194.253 2.205 10 0 AEAEMO C[C@H]1CC[C@H]([N@@H+](C)CC2(O)CCC2)C1 335889509 346426274 /nfs/dbraw/zinc/42/62/74/346426274.db2.gz XNZBUZLJBDEGPU-QWRGUYRKSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H]1CC[N@H+]1Cc1c(C)noc1C 335890460 346426279 /nfs/dbraw/zinc/42/62/79/346426279.db2.gz ORNLAOUJMREGMG-SNVBAGLBSA-N 1 1 194.278 2.276 10 0 AEAEMO CC[C@@H]1CC[N@@H+]1Cc1cncc(F)c1 335889967 346426299 /nfs/dbraw/zinc/42/62/99/346426299.db2.gz FNOJXPBFPCKKQV-LLVKDONJSA-N 1 1 194.253 2.205 10 0 AEAEMO CC[C@@H]1CC[N@H+]1Cc1cncc(F)c1 335889967 346426301 /nfs/dbraw/zinc/42/63/01/346426301.db2.gz FNOJXPBFPCKKQV-LLVKDONJSA-N 1 1 194.253 2.205 10 0 AEAEMO C[C@H]1CC[C@@H]([N@@H+](C)CC2(O)CCC2)C1 335889510 346426319 /nfs/dbraw/zinc/42/63/19/346426319.db2.gz XNZBUZLJBDEGPU-WDEREUQCSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1Cc1ccon1 335906316 346426953 /nfs/dbraw/zinc/42/69/53/346426953.db2.gz VTLWHMMMEGOQTI-JTQLQIEISA-N 1 1 194.278 2.439 10 0 AEAEMO CCc1nc(N(C)C(C)C)cc(C)[nH+]1 335953404 346429513 /nfs/dbraw/zinc/42/95/13/346429513.db2.gz AJGWOGGFRHKQQL-UHFFFAOYSA-N 1 1 193.294 2.192 10 0 AEAEMO CC[C@H]1CC[N@@H+](CC2=CCCOC2)C1 335947702 346429944 /nfs/dbraw/zinc/42/99/44/346429944.db2.gz IDCAVKQUZHAEJQ-NSHDSACASA-N 1 1 195.306 2.065 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1Cc1ccno1 335971288 346431228 /nfs/dbraw/zinc/43/12/28/346431228.db2.gz GMSPTYLIPXFKNR-JTQLQIEISA-N 1 1 194.278 2.439 10 0 AEAEMO CC[C@H]1CC[N@@H+](Cc2conc2C)C1 335975725 346431305 /nfs/dbraw/zinc/43/13/05/346431305.db2.gz JKLPRZSOQVRREN-JTQLQIEISA-N 1 1 194.278 2.215 10 0 AEAEMO Cc1nc(C[N@H+]2C[C@@H](C)[C@H]2C)oc1C 335978971 346431653 /nfs/dbraw/zinc/43/16/53/346431653.db2.gz UEIVXRFQGKLGIJ-VXNVDRBHSA-N 1 1 194.278 2.132 10 0 AEAEMO Cc1nc(C[N@@H+]2C[C@@H](C)[C@H]2C)oc1C 335978971 346431655 /nfs/dbraw/zinc/43/16/55/346431655.db2.gz UEIVXRFQGKLGIJ-VXNVDRBHSA-N 1 1 194.278 2.132 10 0 AEAEMO Cc1nc(C[N@H+]2C[C@H](C)[C@H]2C)oc1C 335978970 346431744 /nfs/dbraw/zinc/43/17/44/346431744.db2.gz UEIVXRFQGKLGIJ-IONNQARKSA-N 1 1 194.278 2.132 10 0 AEAEMO Cc1nc(C[N@@H+]2C[C@H](C)[C@H]2C)oc1C 335978970 346431747 /nfs/dbraw/zinc/43/17/47/346431747.db2.gz UEIVXRFQGKLGIJ-IONNQARKSA-N 1 1 194.278 2.132 10 0 AEAEMO Cc1nc(C[N@H+]2C[C@@H](C)[C@@H]2C)oc1C 335978968 346431769 /nfs/dbraw/zinc/43/17/69/346431769.db2.gz UEIVXRFQGKLGIJ-APPZFPTMSA-N 1 1 194.278 2.132 10 0 AEAEMO Cc1nc(C[N@@H+]2C[C@@H](C)[C@@H]2C)oc1C 335978968 346431771 /nfs/dbraw/zinc/43/17/71/346431771.db2.gz UEIVXRFQGKLGIJ-APPZFPTMSA-N 1 1 194.278 2.132 10 0 AEAEMO Cc1[nH+]ccn1CC[C@@H]1CCCCO1 336001909 346432891 /nfs/dbraw/zinc/43/28/91/346432891.db2.gz HXBKWISYHQOURL-NSHDSACASA-N 1 1 194.278 2.151 10 0 AEAEMO C[N@@H+](Cc1ccon1)C1(C)CCCC1 336006115 346432951 /nfs/dbraw/zinc/43/29/51/346432951.db2.gz ACJBDFDRERJEAO-UHFFFAOYSA-N 1 1 194.278 2.439 10 0 AEAEMO Cc1[nH+]ccn1CC[C@H]1CCCCO1 336001908 346432982 /nfs/dbraw/zinc/43/29/82/346432982.db2.gz HXBKWISYHQOURL-LLVKDONJSA-N 1 1 194.278 2.151 10 0 AEAEMO CC(C)[C@H]1CCC[N@H+]1Cc1ccon1 336009505 346433303 /nfs/dbraw/zinc/43/33/03/346433303.db2.gz GIJXCLXOIQTHHX-LLVKDONJSA-N 1 1 194.278 2.295 10 0 AEAEMO CC[C@H]1CCC[N@H+]1Cc1n[nH]cc1C 336012663 346433399 /nfs/dbraw/zinc/43/33/99/346433399.db2.gz WCKDTVKAKWLRBP-JTQLQIEISA-N 1 1 193.294 2.093 10 0 AEAEMO CC[C@H]1CCC[N@@H+]1Cc1[nH]ncc1C 336012663 346433400 /nfs/dbraw/zinc/43/34/00/346433400.db2.gz WCKDTVKAKWLRBP-JTQLQIEISA-N 1 1 193.294 2.093 10 0 AEAEMO CC[C@H]1CCC[N@H+]1Cc1[nH]ncc1C 336012663 346433402 /nfs/dbraw/zinc/43/34/02/346433402.db2.gz WCKDTVKAKWLRBP-JTQLQIEISA-N 1 1 193.294 2.093 10 0 AEAEMO CC(C)[C@@H]1CCC[N@H+]1Cc1ccon1 336009506 346433407 /nfs/dbraw/zinc/43/34/07/346433407.db2.gz GIJXCLXOIQTHHX-NSHDSACASA-N 1 1 194.278 2.295 10 0 AEAEMO CC(C)[C@@H]1CC[N@@H+](Cc2ccon2)C1 336009658 346433419 /nfs/dbraw/zinc/43/34/19/346433419.db2.gz DDAWHCTVENPARA-SNVBAGLBSA-N 1 1 194.278 2.153 10 0 AEAEMO CC(C)[C@H]1CC[N@@H+](Cc2ccon2)C1 336009657 346433441 /nfs/dbraw/zinc/43/34/41/346433441.db2.gz DDAWHCTVENPARA-JTQLQIEISA-N 1 1 194.278 2.153 10 0 AEAEMO CC1=C[C@@H](C)C[N@H+](Cc2ccon2)C1 336006792 346433570 /nfs/dbraw/zinc/43/35/70/346433570.db2.gz LBEDADGSYIPISA-SECBINFHSA-N 1 1 192.262 2.073 10 0 AEAEMO CC1=C[C@@H](C)C[N@@H+](Cc2ccon2)C1 336006792 346433572 /nfs/dbraw/zinc/43/35/72/346433572.db2.gz LBEDADGSYIPISA-SECBINFHSA-N 1 1 192.262 2.073 10 0 AEAEMO CC1=C[C@H](C)C[N@H+](Cc2ccon2)C1 336006793 346433652 /nfs/dbraw/zinc/43/36/52/346433652.db2.gz LBEDADGSYIPISA-VIFPVBQESA-N 1 1 192.262 2.073 10 0 AEAEMO CC1=C[C@H](C)C[N@@H+](Cc2ccon2)C1 336006793 346433654 /nfs/dbraw/zinc/43/36/54/346433654.db2.gz LBEDADGSYIPISA-VIFPVBQESA-N 1 1 192.262 2.073 10 0 AEAEMO C[C@H]1C[C@H](C)[NH+]1Cc1ccc(F)cn1 336055111 346435871 /nfs/dbraw/zinc/43/58/71/346435871.db2.gz JCVYDCYESRIXEK-IUCAKERBSA-N 1 1 194.253 2.203 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@@H+]1Cc1ccc(F)cn1 336055110 346436117 /nfs/dbraw/zinc/43/61/17/346436117.db2.gz JCVYDCYESRIXEK-DTORHVGOSA-N 1 1 194.253 2.203 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1Cc1ccc(F)cn1 336055110 346436121 /nfs/dbraw/zinc/43/61/21/346436121.db2.gz JCVYDCYESRIXEK-DTORHVGOSA-N 1 1 194.253 2.203 10 0 AEAEMO C[C@H]1COC(C)(C)C[N@H+]1C1CCCC1 336092253 346438024 /nfs/dbraw/zinc/43/80/24/346438024.db2.gz BDSFYBHIYKILPO-JTQLQIEISA-N 1 1 197.322 2.428 10 0 AEAEMO CC[C@H]1CC[N@H+]1Cc1c(C)n[nH]c1C 336117563 346439483 /nfs/dbraw/zinc/43/94/83/346439483.db2.gz PMSJNMJIHJVBHX-JTQLQIEISA-N 1 1 193.294 2.011 10 0 AEAEMO CC[C@H]1CC[N@H+]1Cc1ccc(C)cn1 336124170 346439625 /nfs/dbraw/zinc/43/96/25/346439625.db2.gz GXXSFSRJOCORQN-LBPRGKRZSA-N 1 1 190.290 2.374 10 0 AEAEMO CC[C@@H]1CC[N@H+]1Cc1c(C)n[nH]c1C 336117564 346439810 /nfs/dbraw/zinc/43/98/10/346439810.db2.gz PMSJNMJIHJVBHX-SNVBAGLBSA-N 1 1 193.294 2.011 10 0 AEAEMO CC1=CCC[N@H+](Cc2conc2C)C1 336114341 346439877 /nfs/dbraw/zinc/43/98/77/346439877.db2.gz QEZKPWAZTYYSGV-UHFFFAOYSA-N 1 1 192.262 2.135 10 0 AEAEMO CC[C@H]1CC[N@H+]1Cc1cnccc1C 336122543 346439964 /nfs/dbraw/zinc/43/99/64/346439964.db2.gz YYNDQAAFMMBFRO-LBPRGKRZSA-N 1 1 190.290 2.374 10 0 AEAEMO CC[C@@H]1CC[N@H+]1Cc1cnccc1C 336122542 346440127 /nfs/dbraw/zinc/44/01/27/346440127.db2.gz YYNDQAAFMMBFRO-GFCCVEGCSA-N 1 1 190.290 2.374 10 0 AEAEMO CC[C@@H]1CC[N@H+]1Cc1ccc(C)cn1 336124169 346440134 /nfs/dbraw/zinc/44/01/34/346440134.db2.gz GXXSFSRJOCORQN-GFCCVEGCSA-N 1 1 190.290 2.374 10 0 AEAEMO C[C@H]1CCC[N@@H+](CCC2(O)CC2)CC1 336170939 346442305 /nfs/dbraw/zinc/44/23/05/346442305.db2.gz NVWUMENPKOKCQI-NSHDSACASA-N 1 1 197.322 2.023 10 0 AEAEMO C[C@H]1C[N@@H+](CCC2(O)CC2)C(C)(C)C1 336170504 346442379 /nfs/dbraw/zinc/44/23/79/346442379.db2.gz ITNKFPGQBDTWKJ-SNVBAGLBSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1CCC[C@@H](C)[N@H+]1CCC1(O)CC1 336170564 346442390 /nfs/dbraw/zinc/44/23/90/346442390.db2.gz NNUZZWVLGDYPJX-PHIMTYICSA-N 1 1 197.322 2.164 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1CCC1(O)CC1 336171289 346442535 /nfs/dbraw/zinc/44/25/35/346442535.db2.gz ZYAJFFSDVVMDSQ-NSHDSACASA-N 1 1 197.322 2.166 10 0 AEAEMO COC1(C[N@H+]2CCCC[C@H]2C)CCC1 336190495 346443105 /nfs/dbraw/zinc/44/31/05/346443105.db2.gz MFVAYWVGJGBCOB-LLVKDONJSA-N 1 1 197.322 2.430 10 0 AEAEMO COC1(C[N@H+]2[C@@H](C)CC[C@H]2C)CCC1 336191303 346443159 /nfs/dbraw/zinc/44/31/59/346443159.db2.gz DTWABLPYEFBZCF-PHIMTYICSA-N 1 1 197.322 2.428 10 0 AEAEMO COC1(C[N@H+]2CCC[C@@H](C)C2)CCC1 336189753 346443258 /nfs/dbraw/zinc/44/32/58/346443258.db2.gz OUYXZIKGTJNHKN-LLVKDONJSA-N 1 1 197.322 2.287 10 0 AEAEMO COC1(C[N@H+]2CCC[C@H](C)C2)CCC1 336189754 346443275 /nfs/dbraw/zinc/44/32/75/346443275.db2.gz OUYXZIKGTJNHKN-NSHDSACASA-N 1 1 197.322 2.287 10 0 AEAEMO COC1(C[N@H+]2C[C@H](C)C[C@H]2C)CCC1 336192286 346443315 /nfs/dbraw/zinc/44/33/15/346443315.db2.gz CEXPBIFAGZPXAW-GHMZBOCLSA-N 1 1 197.322 2.286 10 0 AEAEMO COC1(C[N@H+]2CCCC[C@@H]2C)CCC1 336190496 346443322 /nfs/dbraw/zinc/44/33/22/346443322.db2.gz MFVAYWVGJGBCOB-NSHDSACASA-N 1 1 197.322 2.430 10 0 AEAEMO COC1(C[N@H+]2C[C@@H](C)C[C@@H]2C)CCC1 336192288 346443793 /nfs/dbraw/zinc/44/37/93/346443793.db2.gz CEXPBIFAGZPXAW-QWRGUYRKSA-N 1 1 197.322 2.286 10 0 AEAEMO COC1(C[N@H+]2C[C@@H](C)C[C@H]2C)CCC1 336192289 346443824 /nfs/dbraw/zinc/44/38/24/346443824.db2.gz CEXPBIFAGZPXAW-WDEREUQCSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H]1C[N@@H+](CC2=CCCCC2)CCO1 336192606 346443877 /nfs/dbraw/zinc/44/38/77/346443877.db2.gz WITXXWIZUBDFHJ-LLVKDONJSA-N 1 1 195.306 2.208 10 0 AEAEMO COC1(C[N@H+]2CCC(C)(C)C2)CCC1 336192501 346443980 /nfs/dbraw/zinc/44/39/80/346443980.db2.gz OPRGDRURTMQDEK-UHFFFAOYSA-N 1 1 197.322 2.287 10 0 AEAEMO CC(F)(F)CC[N@H+]1CC[C@](C)(F)C1 336199168 346444126 /nfs/dbraw/zinc/44/41/26/346444126.db2.gz OYXSSGFRPFYWIB-QMMMGPOBSA-N 1 1 195.228 2.466 10 0 AEAEMO COC1(C[N@H+]2C[C@H](C)C[C@@H]2C)CCC1 336192287 346444341 /nfs/dbraw/zinc/44/43/41/346444341.db2.gz CEXPBIFAGZPXAW-MNOVXSKESA-N 1 1 197.322 2.286 10 0 AEAEMO CC(F)(F)CC[N@H+]1CC[C@@](C)(F)C1 336199167 346444395 /nfs/dbraw/zinc/44/43/95/346444395.db2.gz OYXSSGFRPFYWIB-MRVPVSSYSA-N 1 1 195.228 2.466 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1CCc1cscn1 336204131 346444810 /nfs/dbraw/zinc/44/48/10/346444810.db2.gz LMTNQKUPDHGNPD-DTORHVGOSA-N 1 1 196.319 2.168 10 0 AEAEMO CC[C@@H]1CC[N@H+]1Cc1ccncc1C 336212230 346444926 /nfs/dbraw/zinc/44/49/26/346444926.db2.gz SDTABJIGRCMBJF-GFCCVEGCSA-N 1 1 190.290 2.374 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1CC1CCC(=O)CC1 336204200 346445013 /nfs/dbraw/zinc/44/50/13/346445013.db2.gz QTZSYLNVYTYWMS-AOOOYVTPSA-N 1 1 195.306 2.228 10 0 AEAEMO C[C@]1(F)CCC[N@@H+](CC2CC2)C1 336214383 346445021 /nfs/dbraw/zinc/44/50/21/346445021.db2.gz LDQXJBNRBMUZOX-JTQLQIEISA-N 1 1 171.259 2.220 10 0 AEAEMO CC[C@H]1CC[N@H+]1Cc1ccncc1C 336212231 346445157 /nfs/dbraw/zinc/44/51/57/346445157.db2.gz SDTABJIGRCMBJF-LBPRGKRZSA-N 1 1 190.290 2.374 10 0 AEAEMO C[C@@]1(F)CCC[N@@H+](CC2CC2)C1 336214384 346445182 /nfs/dbraw/zinc/44/51/82/346445182.db2.gz LDQXJBNRBMUZOX-SNVBAGLBSA-N 1 1 171.259 2.220 10 0 AEAEMO CC[C@@H]1CC[N@@H+]1Cc1ccncc1F 336212184 346445190 /nfs/dbraw/zinc/44/51/90/346445190.db2.gz INDSEEITOGNACJ-SNVBAGLBSA-N 1 1 194.253 2.205 10 0 AEAEMO CC[C@@H]1CC[N@H+]1Cc1ccncc1F 336212184 346445192 /nfs/dbraw/zinc/44/51/92/346445192.db2.gz INDSEEITOGNACJ-SNVBAGLBSA-N 1 1 194.253 2.205 10 0 AEAEMO CC[C@H]1CC[N@@H+]1Cc1ccncc1F 336212183 346445378 /nfs/dbraw/zinc/44/53/78/346445378.db2.gz INDSEEITOGNACJ-JTQLQIEISA-N 1 1 194.253 2.205 10 0 AEAEMO CC[C@H]1CC[N@H+]1Cc1ccncc1F 336212183 346445380 /nfs/dbraw/zinc/44/53/80/346445380.db2.gz INDSEEITOGNACJ-JTQLQIEISA-N 1 1 194.253 2.205 10 0 AEAEMO Cc1noc(C)c1C[N@@H+]1C[C@@H](C)[C@H]1C 336234107 346446611 /nfs/dbraw/zinc/44/66/11/346446611.db2.gz VTPHIUAAMYOUDY-VXNVDRBHSA-N 1 1 194.278 2.132 10 0 AEAEMO C[C@H]1[C@H](C)C[N@@H+]1Cc1ccc(F)cn1 336229942 346446650 /nfs/dbraw/zinc/44/66/50/346446650.db2.gz ONFURHUCLVRBDC-BDAKNGLRSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1Cc1ccc(F)cn1 336229942 346446652 /nfs/dbraw/zinc/44/66/52/346446652.db2.gz ONFURHUCLVRBDC-BDAKNGLRSA-N 1 1 194.253 2.061 10 0 AEAEMO Cc1noc(C)c1C[N@@H+]1C[C@H](C)[C@H]1C 336234106 346446708 /nfs/dbraw/zinc/44/67/08/346446708.db2.gz VTPHIUAAMYOUDY-IONNQARKSA-N 1 1 194.278 2.132 10 0 AEAEMO Cc1noc(C)c1C[N@@H+]1C[C@@H](C)[C@@H]1C 336234104 346446750 /nfs/dbraw/zinc/44/67/50/346446750.db2.gz VTPHIUAAMYOUDY-APPZFPTMSA-N 1 1 194.278 2.132 10 0 AEAEMO Cc1noc(C)c1C[N@@H+]1C[C@H](C)[C@@H]1C 336234105 346446847 /nfs/dbraw/zinc/44/68/47/346446847.db2.gz VTPHIUAAMYOUDY-CBAPKCEASA-N 1 1 194.278 2.132 10 0 AEAEMO C[C@H]1C[N@@H+](Cc2ccc(F)cn2)[C@H]1C 336229946 346446962 /nfs/dbraw/zinc/44/69/62/346446962.db2.gz ONFURHUCLVRBDC-IUCAKERBSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@H]1C[N@@H+](Cc2ccc(F)cn2)[C@@H]1C 336229944 346447273 /nfs/dbraw/zinc/44/72/73/346447273.db2.gz ONFURHUCLVRBDC-DTWKUNHWSA-N 1 1 194.253 2.061 10 0 AEAEMO CC(C)[N@H+](C1CCCC1)C1COC1 336259018 346448667 /nfs/dbraw/zinc/44/86/67/346448667.db2.gz GBGFYFNUNXRNDV-UHFFFAOYSA-N 1 1 183.295 2.038 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1CCc1cscn1 336265818 346449675 /nfs/dbraw/zinc/44/96/75/346449675.db2.gz VTEQAPGIBBVNFA-BDAKNGLRSA-N 1 1 196.319 2.026 10 0 AEAEMO C[C@H]1C[N@@H+](CC2CCC(=O)CC2)[C@@H]1C 336265853 346450013 /nfs/dbraw/zinc/45/00/13/346450013.db2.gz ZBVCIKKOHZGZQU-VHSXEESVSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@H]1C[N@@H+](CCc2cscn2)[C@H]1C 336265820 346450098 /nfs/dbraw/zinc/45/00/98/346450098.db2.gz VTEQAPGIBBVNFA-IUCAKERBSA-N 1 1 196.319 2.026 10 0 AEAEMO C[C@H]1C[N@@H+](CCc2cscn2)[C@@H]1C 336265819 346450182 /nfs/dbraw/zinc/45/01/82/346450182.db2.gz VTEQAPGIBBVNFA-DTWKUNHWSA-N 1 1 196.319 2.026 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1CC1CCC(=O)CC1 336265854 346450207 /nfs/dbraw/zinc/45/02/07/346450207.db2.gz ZBVCIKKOHZGZQU-ZJUUUORDSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@H]1CC[N@H+]1C[C@@H]1CCC(C)(C)O1 336276349 346450634 /nfs/dbraw/zinc/45/06/34/346450634.db2.gz CAERHVFFIFZFQX-QWRGUYRKSA-N 1 1 197.322 2.428 10 0 AEAEMO C[C@H](O)CC[N@H+]1CC2(CCC2)C[C@H]1C 336272868 346450776 /nfs/dbraw/zinc/45/07/76/346450776.db2.gz GPTLWSUIEXKOFQ-MNOVXSKESA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H](O)CC[N@H+]1CC2(CCC2)C[C@@H]1C 336272869 346450794 /nfs/dbraw/zinc/45/07/94/346450794.db2.gz GPTLWSUIEXKOFQ-QWRGUYRKSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@]1(F)CCC[N@@H+](CCCF)C1 336270128 346450909 /nfs/dbraw/zinc/45/09/09/346450909.db2.gz MQTDGTANUVAUGU-VIFPVBQESA-N 1 1 177.238 2.170 10 0 AEAEMO C[C@]1(F)CCC[N@H+](C2CCC2)C1 336275573 346450978 /nfs/dbraw/zinc/45/09/78/346450978.db2.gz SZCBGXVDMAENNB-JTQLQIEISA-N 1 1 171.259 2.363 10 0 AEAEMO C[C@@]1(F)CCC[N@@H+](CCCF)C1 336270127 346451037 /nfs/dbraw/zinc/45/10/37/346451037.db2.gz MQTDGTANUVAUGU-SECBINFHSA-N 1 1 177.238 2.170 10 0 AEAEMO CC[C@@H]1CC[N@H+]1C[C@H]1CCC(C)(C)O1 336276347 346451044 /nfs/dbraw/zinc/45/10/44/346451044.db2.gz CAERHVFFIFZFQX-GHMZBOCLSA-N 1 1 197.322 2.428 10 0 AEAEMO C[C@@]1(F)CCC[N@H+](C2CCC2)C1 336275574 346451108 /nfs/dbraw/zinc/45/11/08/346451108.db2.gz SZCBGXVDMAENNB-SNVBAGLBSA-N 1 1 171.259 2.363 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1CCc1cncs1 336281028 346451674 /nfs/dbraw/zinc/45/16/74/346451674.db2.gz OZHLYKLVLXHIJE-BDAKNGLRSA-N 1 1 196.319 2.026 10 0 AEAEMO C[C@H]1C[N@@H+](CCc2cncs2)[C@@H]1C 336281029 346451837 /nfs/dbraw/zinc/45/18/37/346451837.db2.gz OZHLYKLVLXHIJE-DTWKUNHWSA-N 1 1 196.319 2.026 10 0 AEAEMO CC[C@H]1CC[N@H+]1Cc1ncccc1C 336281160 346451888 /nfs/dbraw/zinc/45/18/88/346451888.db2.gz IHUDSSQQJNSZGB-NSHDSACASA-N 1 1 190.290 2.374 10 0 AEAEMO CC[C@@H]1CC[N@H+]1Cc1ncccc1C 336281159 346451915 /nfs/dbraw/zinc/45/19/15/346451915.db2.gz IHUDSSQQJNSZGB-LLVKDONJSA-N 1 1 190.290 2.374 10 0 AEAEMO C[C@H]1C[N@@H+](CCc2cncs2)[C@H]1C 336281030 346452188 /nfs/dbraw/zinc/45/21/88/346452188.db2.gz OZHLYKLVLXHIJE-IUCAKERBSA-N 1 1 196.319 2.026 10 0 AEAEMO CC1=CC[N@@H+](CC[C@@H]2CCCO2)CC1 336301379 346452773 /nfs/dbraw/zinc/45/27/73/346452773.db2.gz CZGBGYHEDXSWBL-LBPRGKRZSA-N 1 1 195.306 2.208 10 0 AEAEMO CC1=CC[N@@H+](CC[C@H]2CCCO2)CC1 336301378 346452884 /nfs/dbraw/zinc/45/28/84/346452884.db2.gz CZGBGYHEDXSWBL-GFCCVEGCSA-N 1 1 195.306 2.208 10 0 AEAEMO C[N@@H+](C1CCCC1)[C@H]1CCSC1 336334542 346454849 /nfs/dbraw/zinc/45/48/49/346454849.db2.gz DMBOTMGQLLIVLX-JTQLQIEISA-N 1 1 185.336 2.366 10 0 AEAEMO C[N@@H+](C1CCCC1)[C@@H]1CCSC1 336334543 346454925 /nfs/dbraw/zinc/45/49/25/346454925.db2.gz DMBOTMGQLLIVLX-SNVBAGLBSA-N 1 1 185.336 2.366 10 0 AEAEMO C[C@H](O)[C@@H]1CCCC[N@H+]1C1CCCC1 336345743 346456267 /nfs/dbraw/zinc/45/62/67/346456267.db2.gz CBIYJIVLJMREGD-JQWIXIFHSA-N 1 1 197.322 2.164 10 0 AEAEMO C[C@]1(C(N)=O)CCCC[N@H+]1CC1CC1 336358065 346457617 /nfs/dbraw/zinc/45/76/17/346457617.db2.gz VOCLDZMNYZBOJU-LLVKDONJSA-N 1 1 196.294 2.176 10 0 AEAEMO Cc1n[nH]c(C)c1C[N@H+]1[C@@H](C)C[C@H]1C 336413935 346462073 /nfs/dbraw/zinc/46/20/73/346462073.db2.gz OTMPCYVYHILCJB-OCAPTIKFSA-N 1 1 193.294 2.009 10 0 AEAEMO C[C@H]1CC[C@H](C)[N@@H+](Cc2ccno2)C1 336427681 346463123 /nfs/dbraw/zinc/46/31/23/346463123.db2.gz RCGPFAILGIKNGH-UWVGGRQHSA-N 1 1 194.278 2.295 10 0 AEAEMO CC1=C(C)C[N@@H+](C[C@H]2CCOC2)CC1 336462128 346464464 /nfs/dbraw/zinc/46/44/64/346464464.db2.gz AEKFHLYLHQOACX-GFCCVEGCSA-N 1 1 195.306 2.065 10 0 AEAEMO Cc1cc(C[N@H+]2CCC23CCC3)on1 336486072 346467047 /nfs/dbraw/zinc/46/70/47/346467047.db2.gz IOVGZPKEPPCZAU-UHFFFAOYSA-N 1 1 192.262 2.111 10 0 AEAEMO C[N@@H+](C[C@H]1CCCO1)[C@H]1C=CCCC1 336487967 346467278 /nfs/dbraw/zinc/46/72/78/346467278.db2.gz WDAOMVMIMYPZGC-NWDGAFQWSA-N 1 1 195.306 2.206 10 0 AEAEMO C[N@@H+](C[C@H]1CCCO1)[C@@H]1C=CCCC1 336487968 346467390 /nfs/dbraw/zinc/46/73/90/346467390.db2.gz WDAOMVMIMYPZGC-VXGBXAGGSA-N 1 1 195.306 2.206 10 0 AEAEMO Cc1cc(C[N@@H+]2CCC23CCC3)no1 336486127 346467399 /nfs/dbraw/zinc/46/73/99/346467399.db2.gz TVRZSFUOUGDLOV-UHFFFAOYSA-N 1 1 192.262 2.111 10 0 AEAEMO Cc1cc(C[N@H+]2CCC23CCC3)no1 336486127 346467400 /nfs/dbraw/zinc/46/74/00/346467400.db2.gz TVRZSFUOUGDLOV-UHFFFAOYSA-N 1 1 192.262 2.111 10 0 AEAEMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccno1 336508337 346468882 /nfs/dbraw/zinc/46/88/82/346468882.db2.gz IBSYMDCNASNTGV-ZJUUUORDSA-N 1 1 194.278 2.295 10 0 AEAEMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccno1 336508336 346468968 /nfs/dbraw/zinc/46/89/68/346468968.db2.gz IBSYMDCNASNTGV-VHSXEESVSA-N 1 1 194.278 2.295 10 0 AEAEMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccno1 336508335 346468977 /nfs/dbraw/zinc/46/89/77/346468977.db2.gz IBSYMDCNASNTGV-UWVGGRQHSA-N 1 1 194.278 2.295 10 0 AEAEMO CC[C@H]1CC[N@H+]1Cc1cccc(O)c1 336519193 346469079 /nfs/dbraw/zinc/46/90/79/346469079.db2.gz MVNLXGUVUSDRNX-NSHDSACASA-N 1 1 191.274 2.377 10 0 AEAEMO CC[C@@H]1CC[N@H+]1Cc1cccc(O)c1 336519192 346469117 /nfs/dbraw/zinc/46/91/17/346469117.db2.gz MVNLXGUVUSDRNX-LLVKDONJSA-N 1 1 191.274 2.377 10 0 AEAEMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccno1 336508334 346469240 /nfs/dbraw/zinc/46/92/40/346469240.db2.gz IBSYMDCNASNTGV-NXEZZACHSA-N 1 1 194.278 2.295 10 0 AEAEMO C[C@H]1C[N@@H+](C2CCCC2)[C@@H](C)CO1 336552341 346470358 /nfs/dbraw/zinc/47/03/58/346470358.db2.gz JTTSTISVNKDUOE-UWVGGRQHSA-N 1 1 183.295 2.038 10 0 AEAEMO CC1=CC[N@@H+](Cc2cnoc2C)CC1 336543911 346470506 /nfs/dbraw/zinc/47/05/06/346470506.db2.gz CXKKPKYRUMNGPP-UHFFFAOYSA-N 1 1 192.262 2.135 10 0 AEAEMO C[C@H]1C[N@@H+](C2CCCC2)[C@H](C)CO1 336552343 346470923 /nfs/dbraw/zinc/47/09/23/346470923.db2.gz JTTSTISVNKDUOE-ZJUUUORDSA-N 1 1 183.295 2.038 10 0 AEAEMO C[C@H]1CO[C@H](C)C[N@H+]1C1CCCC1 336552342 346470974 /nfs/dbraw/zinc/47/09/74/346470974.db2.gz JTTSTISVNKDUOE-VHSXEESVSA-N 1 1 183.295 2.038 10 0 AEAEMO CC(C)[N@@H+](C)Cc1ccoc1 336553184 346471271 /nfs/dbraw/zinc/47/12/71/346471271.db2.gz ABMURLFQLYPGJY-UHFFFAOYSA-N 1 1 153.225 2.120 10 0 AEAEMO C[C@H]1CSCC[N@H+]1C1CCCC1 336552745 346471391 /nfs/dbraw/zinc/47/13/91/346471391.db2.gz QHEQBSDMWFTMNY-VIFPVBQESA-N 1 1 185.336 2.366 10 0 AEAEMO CC[C@@H]1COCC[N@H+]1C1CCCC1 336553289 346471476 /nfs/dbraw/zinc/47/14/76/346471476.db2.gz GDFGOMPZFMVZIA-SNVBAGLBSA-N 1 1 183.295 2.040 10 0 AEAEMO Cc1cc(C[N@H+]2CCCC2(C)C)on1 336555493 346474171 /nfs/dbraw/zinc/47/41/71/346474171.db2.gz OHSIIKLOJAWPMP-UHFFFAOYSA-N 1 1 194.278 2.357 10 0 AEAEMO CC1(C)CCC[N@H+]1CC1CCOCC1 336555215 346474320 /nfs/dbraw/zinc/47/43/20/346474320.db2.gz CXPNSZFPUKTWLS-UHFFFAOYSA-N 1 1 197.322 2.287 10 0 AEAEMO Cc1cc(C[N@H+]2CCCC2(C)C)no1 336556119 346475012 /nfs/dbraw/zinc/47/50/12/346475012.db2.gz IIJYUIIMEOAMLQ-UHFFFAOYSA-N 1 1 194.278 2.357 10 0 AEAEMO Cc1cnc(C[N@@H+]2CCC23CCC3)o1 336556139 346475242 /nfs/dbraw/zinc/47/52/42/346475242.db2.gz MSLVXCWAXKOHEW-UHFFFAOYSA-N 1 1 192.262 2.111 10 0 AEAEMO Cc1cnc(C[N@H+]2CCC23CCC3)o1 336556139 346475246 /nfs/dbraw/zinc/47/52/46/346475246.db2.gz MSLVXCWAXKOHEW-UHFFFAOYSA-N 1 1 192.262 2.111 10 0 AEAEMO Cc1ncccc1C[N@H+]1[C@@H](C)C[C@H]1C 336559092 346475282 /nfs/dbraw/zinc/47/52/82/346475282.db2.gz KIIZTBRNCQKMDH-AOOOYVTPSA-N 1 1 190.290 2.373 10 0 AEAEMO Cc1cnc(C[N@H+]2CCCC2(C)C)o1 336556171 346475302 /nfs/dbraw/zinc/47/53/02/346475302.db2.gz UJGQHGUNRMGOPZ-UHFFFAOYSA-N 1 1 194.278 2.357 10 0 AEAEMO CC1(C)CCC[N@H+]1C[C@H]1CCCOC1 336556159 346475346 /nfs/dbraw/zinc/47/53/46/346475346.db2.gz RJHICHHYWGULIQ-LLVKDONJSA-N 1 1 197.322 2.287 10 0 AEAEMO CC1(C)CCC[N@H+]1C[C@@H]1CCCCO1 336556162 346475386 /nfs/dbraw/zinc/47/53/86/346475386.db2.gz RUBHKFUVGJHXPG-NSHDSACASA-N 1 1 197.322 2.430 10 0 AEAEMO CC1(C)CCC[N@H+]1C[C@H]1CCCCO1 336556161 346475564 /nfs/dbraw/zinc/47/55/64/346475564.db2.gz RUBHKFUVGJHXPG-LLVKDONJSA-N 1 1 197.322 2.430 10 0 AEAEMO CC1(C)CCC[N@H+]1C[C@@H]1CCCOC1 336556160 346475628 /nfs/dbraw/zinc/47/56/28/346475628.db2.gz RJHICHHYWGULIQ-NSHDSACASA-N 1 1 197.322 2.287 10 0 AEAEMO CSCC[N@@H+](CC1CC1)C(C)C 379330193 346499534 /nfs/dbraw/zinc/49/95/34/346499534.db2.gz WXHSHCBRNGLDJH-UHFFFAOYSA-N 1 1 187.352 2.470 10 0 AEAEMO C[C@H]1COC[C@@H](C)[N@H+]1C1CCCC1 336626667 346480304 /nfs/dbraw/zinc/48/03/04/346480304.db2.gz IBQQISTZQYSSKQ-AOOOYVTPSA-N 1 1 183.295 2.038 10 0 AEAEMO CC1(C)CCC[N@H+]1C[C@@H]1CCCO1 336631471 346480927 /nfs/dbraw/zinc/48/09/27/346480927.db2.gz WMRUNDPIBASDRZ-JTQLQIEISA-N 1 1 183.295 2.040 10 0 AEAEMO CC(C)SCC[N@H+]1C[C@@H](C)[C@H]1C 378869383 346485872 /nfs/dbraw/zinc/48/58/72/346485872.db2.gz JVEMAVODOATUJL-NXEZZACHSA-N 1 1 187.352 2.468 10 0 AEAEMO CC(C)SCC[N@H+]1C[C@H](C)[C@@H]1C 378869384 346485946 /nfs/dbraw/zinc/48/59/46/346485946.db2.gz JVEMAVODOATUJL-UWVGGRQHSA-N 1 1 187.352 2.468 10 0 AEAEMO CC(C)SCC[N@H+]1C[C@@H](C)[C@@H]1C 378869386 346486062 /nfs/dbraw/zinc/48/60/62/346486062.db2.gz JVEMAVODOATUJL-ZJUUUORDSA-N 1 1 187.352 2.468 10 0 AEAEMO CC(C)SCC[N@H+]1C[C@H](C)[C@H]1C 378869385 346486305 /nfs/dbraw/zinc/48/63/05/346486305.db2.gz JVEMAVODOATUJL-VHSXEESVSA-N 1 1 187.352 2.468 10 0 AEAEMO C/C=C\C[N@@H+](C)[C@@H]1CC1(C)C 379177578 346489370 /nfs/dbraw/zinc/48/93/70/346489370.db2.gz NUXKAQMGHPMWTH-SSJHQANKSA-N 1 1 153.269 2.293 10 0 AEAEMO C/C=C\C[N@@H+](C)[C@H]1CC1(C)C 379177579 346489415 /nfs/dbraw/zinc/48/94/15/346489415.db2.gz NUXKAQMGHPMWTH-UDIARPCQSA-N 1 1 153.269 2.293 10 0 AEAEMO CCSCC[N@H+]1CC[C@@H]1C(C)C 379325784 346497437 /nfs/dbraw/zinc/49/74/37/346497437.db2.gz DVRMYCNQYUYPTG-SNVBAGLBSA-N 1 1 187.352 2.470 10 0 AEAEMO CCSCC[N@H+]1CC[C@H]1C(C)C 379325783 346497525 /nfs/dbraw/zinc/49/75/25/346497525.db2.gz DVRMYCNQYUYPTG-JTQLQIEISA-N 1 1 187.352 2.470 10 0 AEAEMO CSCCC[N@@H+](C)CCCF 388128148 346546752 /nfs/dbraw/zinc/54/67/52/346546752.db2.gz QWKFZWUXOGKGSJ-UHFFFAOYSA-N 1 1 179.304 2.031 10 0 AEAEMO CCSCC[NH2+]C(C)(C)C(F)F 379331661 346500154 /nfs/dbraw/zinc/50/01/54/346500154.db2.gz DTJUIPYXKTXFNR-UHFFFAOYSA-N 1 1 197.294 2.373 10 0 AEAEMO CSCCC[N@@H+](C)C[C@@H]1C[C@@H]1C 379337957 346502924 /nfs/dbraw/zinc/50/29/24/346502924.db2.gz AQVSSBWDMFDVQY-UWVGGRQHSA-N 1 1 187.352 2.327 10 0 AEAEMO CSCCC[N@@H+](C)C[C@H]1C[C@H]1C 379337956 346502971 /nfs/dbraw/zinc/50/29/71/346502971.db2.gz AQVSSBWDMFDVQY-NXEZZACHSA-N 1 1 187.352 2.327 10 0 AEAEMO CSCCC[N@@H+](C)C[C@@H]1C[C@H]1C 379337959 346503018 /nfs/dbraw/zinc/50/30/18/346503018.db2.gz AQVSSBWDMFDVQY-ZJUUUORDSA-N 1 1 187.352 2.327 10 0 AEAEMO CSCCC[N@@H+](C)C[C@H]1C[C@@H]1C 379337958 346503071 /nfs/dbraw/zinc/50/30/71/346503071.db2.gz AQVSSBWDMFDVQY-VHSXEESVSA-N 1 1 187.352 2.327 10 0 AEAEMO CSCCC[N@@H+](C)CC1(F)CC1 379338791 346503671 /nfs/dbraw/zinc/50/36/71/346503671.db2.gz PMTMWKBQIGFDTL-UHFFFAOYSA-N 1 1 191.315 2.173 10 0 AEAEMO CC(C)=CC[N@H+](C[C@H](C)O)C(C)C 379389229 346513469 /nfs/dbraw/zinc/51/34/69/346513469.db2.gz LBOXJNKSKVNIOO-NSHDSACASA-N 1 1 185.311 2.044 10 0 AEAEMO CC(C)=CC[N@H+](C[C@@H](C)O)C(C)C 379389228 346513552 /nfs/dbraw/zinc/51/35/52/346513552.db2.gz LBOXJNKSKVNIOO-LLVKDONJSA-N 1 1 185.311 2.044 10 0 AEAEMO CCC[N@@H+](C)CCOCCC(C)C 379403055 346518283 /nfs/dbraw/zinc/51/82/83/346518283.db2.gz OFGJTTBBGVHRMF-UHFFFAOYSA-N 1 1 187.327 2.391 10 0 AEAEMO CC(C)=CC[N@H+](C)C[C@H]1CCCO1 379408063 346519957 /nfs/dbraw/zinc/51/99/57/346519957.db2.gz AITODHDLUXKVIS-LLVKDONJSA-N 1 1 183.295 2.063 10 0 AEAEMO CC1CCC(C[N@@H+](C)CCCO)CC1 379534605 346524759 /nfs/dbraw/zinc/52/47/59/346524759.db2.gz LAOFROIUZPJLGT-UHFFFAOYSA-N 1 1 199.338 2.127 10 0 AEAEMO CSCCC[N@H+]1C[C@H]2[C@@H](C1)C2(C)C 381982738 346531709 /nfs/dbraw/zinc/53/17/09/346531709.db2.gz FBIKJBCWTQMQLY-AOOOYVTPSA-N 1 1 199.363 2.327 10 0 AEAEMO C/C=C\C[NH2+]C1CCN(C(C)C)CC1 385059463 346542296 /nfs/dbraw/zinc/54/22/96/346542296.db2.gz UPDWGRCKBKSYDD-PLNGDYQASA-N 1 1 196.338 2.025 10 0 AEAEMO C/C=C/C[NH2+]C1CCN(C(C)C)CC1 385059466 346542341 /nfs/dbraw/zinc/54/23/41/346542341.db2.gz UPDWGRCKBKSYDD-SNAWJCMRSA-N 1 1 196.338 2.025 10 0 AEAEMO CCOCC[N@@H+](CC)CC=C(C)C 388200590 346548196 /nfs/dbraw/zinc/54/81/96/346548196.db2.gz AMGCFRKDRBLJFO-UHFFFAOYSA-N 1 1 185.311 2.311 10 0 AEAEMO CSCC[C@H](C)[N@@H+](C)CCCF 388395208 346552179 /nfs/dbraw/zinc/55/21/79/346552179.db2.gz HIKPZCBNHPDLNS-VIFPVBQESA-N 1 1 193.331 2.419 10 0 AEAEMO CSCC[C@@H](C)[N@@H+](C)CCCF 388395207 346552327 /nfs/dbraw/zinc/55/23/27/346552327.db2.gz HIKPZCBNHPDLNS-SECBINFHSA-N 1 1 193.331 2.419 10 0 AEAEMO CSCCC[N@@H+](C)CC1(C)CC1 388414966 346553487 /nfs/dbraw/zinc/55/34/87/346553487.db2.gz ANPGRKRLFHRWDH-UHFFFAOYSA-N 1 1 187.352 2.471 10 0 AEAEMO C/C(=C/Cl)C[C@@]1(C#N)CCC[NH2+]1 393345823 346576256 /nfs/dbraw/zinc/57/62/56/346576256.db2.gz AMJSTBVREFFUQG-JGAIRUGNSA-N 1 1 184.670 2.165 10 0 AEAEMO C/C(=C/Cl)C[C@]1(C#N)CCC[NH2+]1 393345824 346576276 /nfs/dbraw/zinc/57/62/76/346576276.db2.gz AMJSTBVREFFUQG-XZLDQRQTSA-N 1 1 184.670 2.165 10 0 AEAEMO CCCCC[N@@H+](C)Cc1cc[nH]n1 393550555 346579174 /nfs/dbraw/zinc/57/91/74/346579174.db2.gz XGJYJZZJABCUEE-UHFFFAOYSA-N 1 1 181.283 2.032 10 0 AEAEMO Cc1occc1C[NH2+]Cc1ccoc1 393672235 346580775 /nfs/dbraw/zinc/58/07/75/346580775.db2.gz ZTMUIEPLGOMVTP-UHFFFAOYSA-N 1 1 191.230 2.471 10 0 AEAEMO CC(C)CC[N@@H+](C[C@H](C)O)C(C)C 393713423 346581939 /nfs/dbraw/zinc/58/19/39/346581939.db2.gz HECMRCPVRIREON-NSHDSACASA-N 1 1 187.327 2.124 10 0 AEAEMO CC(C)CC[N@@H+](C[C@@H](C)O)C(C)C 393713422 346582003 /nfs/dbraw/zinc/58/20/03/346582003.db2.gz HECMRCPVRIREON-LLVKDONJSA-N 1 1 187.327 2.124 10 0 AEAEMO C/C=C\CNc1cccc(C)[nH+]1 395062114 346586194 /nfs/dbraw/zinc/58/61/94/346586194.db2.gz PKNHPHYRDCTSCJ-ARJAWSKDSA-N 1 1 162.236 2.378 10 0 AEAEMO CC(=O)C[N@H+](C)C[C@H](C)C(C)(C)C 399666457 346599375 /nfs/dbraw/zinc/59/93/75/346599375.db2.gz BDWAEULJDSVFCH-VIFPVBQESA-N 1 1 185.311 2.189 10 0 AEAEMO CC(=O)C[N@H+](C)C[C@@H](C)C(C)(C)C 399666455 346599926 /nfs/dbraw/zinc/59/99/26/346599926.db2.gz BDWAEULJDSVFCH-SECBINFHSA-N 1 1 185.311 2.189 10 0 AEAEMO Cc1c[nH]c(N2CCC=C(Cl)C2)[nH+]1 404356765 346641351 /nfs/dbraw/zinc/64/13/51/346641351.db2.gz OJBCDOZVQHZFRF-UHFFFAOYSA-N 1 1 197.669 2.051 10 0 AEAEMO Cc1ccc([C@@H]([NH3+])c2cnsc2)o1 404858027 346653365 /nfs/dbraw/zinc/65/33/65/346653365.db2.gz QZPZMVLPMKCSMU-VIFPVBQESA-N 1 1 194.259 2.093 10 0 AEAEMO Cc1ccc([C@H]([NH3+])c2cnsc2)o1 404858026 346653541 /nfs/dbraw/zinc/65/35/41/346653541.db2.gz QZPZMVLPMKCSMU-SECBINFHSA-N 1 1 194.259 2.093 10 0 AEAEMO C[C@]1([NH3+])[C@H](c2ccccc2)C1(F)F 409430814 346690842 /nfs/dbraw/zinc/69/08/42/346690842.db2.gz HTGKKWFHOKKCSY-IUCAKERBSA-N 1 1 183.201 2.137 10 0 AEAEMO C[C@]1([NH3+])[C@@H](c2ccccc2)C1(F)F 409430801 346691166 /nfs/dbraw/zinc/69/11/66/346691166.db2.gz HTGKKWFHOKKCSY-BDAKNGLRSA-N 1 1 183.201 2.137 10 0 AEAEMO C[C@@]1([NH3+])[C@@H](c2ccccc2)C1(F)F 409430815 346691144 /nfs/dbraw/zinc/69/11/44/346691144.db2.gz HTGKKWFHOKKCSY-RKDXNWHRSA-N 1 1 183.201 2.137 10 0 AEAEMO O[C@H]1CC[N@H+](C2CCCCCCC2)C1 409436987 346700577 /nfs/dbraw/zinc/70/05/77/346700577.db2.gz ATXRXESVMZOFHS-LBPRGKRZSA-N 1 1 197.322 2.166 10 0 AEAEMO O[C@@H]1CC[N@H+](C2CCCCCCC2)C1 409436985 346700724 /nfs/dbraw/zinc/70/07/24/346700724.db2.gz ATXRXESVMZOFHS-GFCCVEGCSA-N 1 1 197.322 2.166 10 0 AEAEMO [NH3+]Cc1c(C2CC2)n[nH]c1C1CCC1 409439897 346703649 /nfs/dbraw/zinc/70/36/49/346703649.db2.gz KMZPJPMHNCWNFP-UHFFFAOYSA-N 1 1 191.278 2.013 10 0 AEAEMO CC(C)Cc1n[nH]c(C(C)C)c1C[NH3+] 409439550 346703685 /nfs/dbraw/zinc/70/36/85/346703685.db2.gz IXGCUPJUMLWVCA-UHFFFAOYSA-N 1 1 195.310 2.190 10 0 AEAEMO C[NH2+]Cc1c(C(C)C)n[nH]c1C1CC1 409439895 346703897 /nfs/dbraw/zinc/70/38/97/346703897.db2.gz KMTOMXXBHWRDSQ-UHFFFAOYSA-N 1 1 193.294 2.130 10 0 AEAEMO C[NH2+]Cc1c(C)n[nH]c1C1CCCC1 409439527 346703961 /nfs/dbraw/zinc/70/39/61/346703961.db2.gz IUUDRYQRMCLRPV-UHFFFAOYSA-N 1 1 193.294 2.095 10 0 AEAEMO CC(C)c1n[nH]c(C2CCC2)c1C[NH3+] 409440971 346706264 /nfs/dbraw/zinc/70/62/64/346706264.db2.gz OVDJXXJUVILQAD-UHFFFAOYSA-N 1 1 193.294 2.259 10 0 AEAEMO CCc1n[nH]c(C2CCCC2)c1C[NH3+] 409441997 346707726 /nfs/dbraw/zinc/70/77/26/346707726.db2.gz WAUXLVNBJSKEGH-UHFFFAOYSA-N 1 1 193.294 2.088 10 0 AEAEMO CCc1ccc2[nH+]ccn2c1C 584605477 346722970 /nfs/dbraw/zinc/72/29/70/346722970.db2.gz PSEAQAVXWRISBA-UHFFFAOYSA-N 1 1 160.220 2.205 10 0 AEAEMO CCc1cc(CSC)cc(N)[nH+]1 584628390 346733757 /nfs/dbraw/zinc/73/37/57/346733757.db2.gz NPABQECIYAKXLA-UHFFFAOYSA-N 1 1 182.292 2.089 10 0 AEAEMO CCCC/C(C)=C/[NH+]1CCOCC1 584633595 346736516 /nfs/dbraw/zinc/73/65/16/346736516.db2.gz ZTPQPMUXYWNSEB-ZHACJKMWSA-N 1 1 183.295 2.413 10 0 AEAEMO CCCCCSC[NH+](C)C 584643747 346739888 /nfs/dbraw/zinc/73/98/88/346739888.db2.gz XUMPSBKDTDZQLH-UHFFFAOYSA-N 1 1 161.314 2.429 10 0 AEAEMO CC1=C([NH2+]C2CCCCC2)O[C@H](C)O1 584644669 346739993 /nfs/dbraw/zinc/73/99/93/346739993.db2.gz QUJJSDMWPNBGBA-SECBINFHSA-N 1 1 197.278 2.491 10 0 AEAEMO CC1=C([NH2+]C2CCCCC2)O[C@@H](C)O1 584644670 346740651 /nfs/dbraw/zinc/74/06/51/346740651.db2.gz QUJJSDMWPNBGBA-VIFPVBQESA-N 1 1 197.278 2.491 10 0 AEAEMO CC(C)CCOCC[N@H+]1CC[C@H](C)C1 586768039 346762872 /nfs/dbraw/zinc/76/28/72/346762872.db2.gz GMGSUHXKCQGIQG-LBPRGKRZSA-N 1 1 199.338 2.391 10 0 AEAEMO CC(C)CCOCC[N@H+]1CC[C@@H](C)C1 586768038 346763102 /nfs/dbraw/zinc/76/31/02/346763102.db2.gz GMGSUHXKCQGIQG-GFCCVEGCSA-N 1 1 199.338 2.391 10 0 AEAEMO CCOCC[N@@H+](CC)Cc1ccoc1 588236544 346766808 /nfs/dbraw/zinc/76/68/08/346766808.db2.gz GZUIJMYTUAGKES-UHFFFAOYSA-N 1 1 197.278 2.138 10 0 AEAEMO CC(C)OCC[N@H+]1CCCC1(C)C 590605849 346784851 /nfs/dbraw/zinc/78/48/51/346784851.db2.gz VXNNDNVOCDYVRP-UHFFFAOYSA-N 1 1 185.311 2.286 10 0 AEAEMO CSC1(C[N@H+]2CC[C@@H]2C2CC2)CC1 590656187 346785844 /nfs/dbraw/zinc/78/58/44/346785844.db2.gz NBZIYSIKUCPOGD-SNVBAGLBSA-N 1 1 197.347 2.366 10 0 AEAEMO CCSCC[NH2+][C@H](CC)C(F)F 590654642 346786161 /nfs/dbraw/zinc/78/61/61/346786161.db2.gz ZGBOWMOGRUURPC-SSDOTTSWSA-N 1 1 197.294 2.373 10 0 AEAEMO CCSCC[N@H+]1CC[C@@H]1C1CC1 590656179 346786263 /nfs/dbraw/zinc/78/62/63/346786263.db2.gz KEKWIQDFDFXQCS-SNVBAGLBSA-N 1 1 185.336 2.224 10 0 AEAEMO CCSCC[NH2+][C@@H](CC)C(F)F 590654643 346786311 /nfs/dbraw/zinc/78/63/11/346786311.db2.gz ZGBOWMOGRUURPC-ZETCQYMHSA-N 1 1 197.294 2.373 10 0 AEAEMO CCSCC[N@H+]1CC[C@H]1C1CC1 590656178 346786355 /nfs/dbraw/zinc/78/63/55/346786355.db2.gz KEKWIQDFDFXQCS-JTQLQIEISA-N 1 1 185.336 2.224 10 0 AEAEMO CSC1(C[N@H+]2CC[C@H]2C2CC2)CC1 590656186 346786368 /nfs/dbraw/zinc/78/63/68/346786368.db2.gz NBZIYSIKUCPOGD-JTQLQIEISA-N 1 1 197.347 2.366 10 0 AEAEMO Cc1[nH+]ccn1CCSC1CCC1 590740019 346791707 /nfs/dbraw/zinc/79/17/07/346791707.db2.gz GJLQKRUWKMVGEL-UHFFFAOYSA-N 1 1 196.319 2.477 10 0 AEAEMO CS[C@@H]1CC[N@@H+](CCCCF)C1 590750191 346792721 /nfs/dbraw/zinc/79/27/21/346792721.db2.gz FWDVXESSBQWDID-SECBINFHSA-N 1 1 191.315 2.173 10 0 AEAEMO CS[C@H]1CC[N@@H+](CCCCF)C1 590750192 346792831 /nfs/dbraw/zinc/79/28/31/346792831.db2.gz FWDVXESSBQWDID-VIFPVBQESA-N 1 1 191.315 2.173 10 0 AEAEMO CC(C)OCCC[N@H+]1CC[C@@H](C)C1 590818700 346794932 /nfs/dbraw/zinc/79/49/32/346794932.db2.gz BWGQUYPZBALMFI-LLVKDONJSA-N 1 1 185.311 2.143 10 0 AEAEMO CC(C)OCCC[N@@H+](C)CC1CC1 590818414 346795134 /nfs/dbraw/zinc/79/51/34/346795134.db2.gz GAGGNHXYMHCPTO-UHFFFAOYSA-N 1 1 185.311 2.143 10 0 AEAEMO CC(C)OCCC[N@H+]1CC[C@H](C)C1 590818701 346795184 /nfs/dbraw/zinc/79/51/84/346795184.db2.gz BWGQUYPZBALMFI-NSHDSACASA-N 1 1 185.311 2.143 10 0 AEAEMO CS[C@H]1CC[C@H]1[NH2+]CC(C)(F)F 591838872 346825574 /nfs/dbraw/zinc/82/55/74/346825574.db2.gz KTNGHTCBBRJRQK-RQJHMYQMSA-N 1 1 195.278 2.125 10 0 AEAEMO CS[C@@H]1CC[C@H]1[NH2+]CC(C)(F)F 591838870 346825690 /nfs/dbraw/zinc/82/56/90/346825690.db2.gz KTNGHTCBBRJRQK-RNFRBKRXSA-N 1 1 195.278 2.125 10 0 AEAEMO CS[C@@H]1CC[C@@H]1[NH2+]CC(C)(F)F 591838868 346825859 /nfs/dbraw/zinc/82/58/59/346825859.db2.gz KTNGHTCBBRJRQK-NKWVEPMBSA-N 1 1 195.278 2.125 10 0 AEAEMO CS[C@H]1CC[C@@H]1[NH2+]CC(C)(F)F 591838859 346825874 /nfs/dbraw/zinc/82/58/74/346825874.db2.gz KTNGHTCBBRJRQK-BQBZGAKWSA-N 1 1 195.278 2.125 10 0 AEAEMO CC[N@@H+](CCSC)CC1(F)CC1 592527146 346832737 /nfs/dbraw/zinc/83/27/37/346832737.db2.gz DJQHJMUULITZFV-UHFFFAOYSA-N 1 1 191.315 2.173 10 0 AEAEMO CSCC[N@H+]1CCC12CCCC2 593040054 346835799 /nfs/dbraw/zinc/83/57/99/346835799.db2.gz WGJDWVSGHDAOJB-UHFFFAOYSA-N 1 1 185.336 2.368 10 0 AEAEMO CCOCC[N@H+](C1CCCC1)C1CC1 594202600 346846511 /nfs/dbraw/zinc/84/65/11/346846511.db2.gz HUEKXUJYEBDQMD-UHFFFAOYSA-N 1 1 197.322 2.430 10 0 AEAEMO C[C@@H]1C[N@H+]([C@@H]2C=CCCC2)[C@H](C)CO1 595553341 346860329 /nfs/dbraw/zinc/86/03/29/346860329.db2.gz FPYSUBWONWXPQP-IJLUTSLNSA-N 1 1 195.306 2.204 10 0 AEAEMO C[C@H]1CO[C@H](C)C[N@@H+]1[C@@H]1C=CCCC1 595553342 346860393 /nfs/dbraw/zinc/86/03/93/346860393.db2.gz FPYSUBWONWXPQP-QJPTWQEYSA-N 1 1 195.306 2.204 10 0 AEAEMO C[C@@H]1C[N@H+]([C@H]2C=CCCC2)[C@H](C)CO1 595553344 346860815 /nfs/dbraw/zinc/86/08/15/346860815.db2.gz FPYSUBWONWXPQP-UTUOFQBUSA-N 1 1 195.306 2.204 10 0 AEAEMO C[C@H]1CO[C@H](C)C[N@@H+]1[C@H]1C=CCCC1 595553343 346860634 /nfs/dbraw/zinc/86/06/34/346860634.db2.gz FPYSUBWONWXPQP-TUAOUCFPSA-N 1 1 195.306 2.204 10 0 AEAEMO CC(C)[N@H+](C[C@H](C)O)[C@H]1C=CCCC1 595576828 346860899 /nfs/dbraw/zinc/86/08/99/346860899.db2.gz LLFZJTBAEQZNSC-RYUDHWBXSA-N 1 1 197.322 2.186 10 0 AEAEMO CC(C)[N@H+](C[C@H](C)O)[C@@H]1C=CCCC1 595576827 346861134 /nfs/dbraw/zinc/86/11/34/346861134.db2.gz LLFZJTBAEQZNSC-NWDGAFQWSA-N 1 1 197.322 2.186 10 0 AEAEMO CCOCC[N@@H+](CC)[C@@H]1C=CCCC1 595576812 346861253 /nfs/dbraw/zinc/86/12/53/346861253.db2.gz HQOYAJZDOPEONE-GFCCVEGCSA-N 1 1 197.322 2.454 10 0 AEAEMO CC(C)[N@H+](C[C@@H](C)O)[C@H]1C=CCCC1 595576826 346861471 /nfs/dbraw/zinc/86/14/71/346861471.db2.gz LLFZJTBAEQZNSC-NEPJUHHUSA-N 1 1 197.322 2.186 10 0 AEAEMO CC(C)[N@H+](C[C@@H](C)O)[C@@H]1C=CCCC1 595576829 346861475 /nfs/dbraw/zinc/86/14/75/346861475.db2.gz LLFZJTBAEQZNSC-VXGBXAGGSA-N 1 1 197.322 2.186 10 0 AEAEMO CCOCC[N@@H+](CC)[C@H]1C=CCCC1 595576813 346861503 /nfs/dbraw/zinc/86/15/03/346861503.db2.gz HQOYAJZDOPEONE-LBPRGKRZSA-N 1 1 197.322 2.454 10 0 AEAEMO CSCCC[N@H+]1CC2CC1(C)C2 595916424 346870994 /nfs/dbraw/zinc/87/09/94/346870994.db2.gz STMUMLLBGRTYDZ-UHFFFAOYSA-N 1 1 185.336 2.224 10 0 AEAEMO CCSCC[N@H+]1CC2CC1(C)C2 595916434 346871068 /nfs/dbraw/zinc/87/10/68/346871068.db2.gz SZQIZYPUIWHPTF-UHFFFAOYSA-N 1 1 185.336 2.224 10 0 AEAEMO CCc1ncc(C[N@H+](C)CC)s1 597086265 346883367 /nfs/dbraw/zinc/88/33/67/346883367.db2.gz YATRWZWZMUDHPN-UHFFFAOYSA-N 1 1 184.308 2.157 10 0 AEAEMO CCSCC[NH2+]CC(F)(F)CC 600199568 346907134 /nfs/dbraw/zinc/90/71/34/346907134.db2.gz IAPOUBNMNZAGQI-UHFFFAOYSA-N 1 1 197.294 2.374 10 0 AEAEMO CSC1(C[N@@H+]2C[C@H]3C[C@H]3C2)CCC1 600188309 346907279 /nfs/dbraw/zinc/90/72/79/346907279.db2.gz AAHCZHUVAJXFBM-AOOOYVTPSA-N 1 1 197.347 2.224 10 0 AEAEMO CC[C@@H]1C[N@@H+](CC=C(C)C)C[C@@H](C)O1 600700634 346915897 /nfs/dbraw/zinc/91/58/97/346915897.db2.gz AJUFANGRVLVGCC-VXGBXAGGSA-N 1 1 197.322 2.452 10 0 AEAEMO CC[C@H]1C[N@@H+](CC=C(C)C)C[C@@H](C)O1 600700631 346916007 /nfs/dbraw/zinc/91/60/07/346916007.db2.gz AJUFANGRVLVGCC-NEPJUHHUSA-N 1 1 197.322 2.452 10 0 AEAEMO CSCCCn1cc(C)[nH+]c1C 601079554 346921193 /nfs/dbraw/zinc/92/11/93/346921193.db2.gz AZLJWTWEZXENNN-UHFFFAOYSA-N 1 1 184.308 2.253 10 0 AEAEMO CCC[N@@H+](CC)CCSCC 610212942 347022972 /nfs/dbraw/zinc/02/29/72/347022972.db2.gz GYSAQIWXZUYJPH-UHFFFAOYSA-N 1 1 175.341 2.471 10 0 AEAEMO COCCC[N@H+]1CCCCC[C@H]1C 603942381 346960384 /nfs/dbraw/zinc/96/03/84/346960384.db2.gz LTQAUWRIHMYYML-LLVKDONJSA-N 1 1 185.311 2.287 10 0 AEAEMO CCOCC[N@H+]1CCCCC[C@@H]1C 603968514 346960543 /nfs/dbraw/zinc/96/05/43/346960543.db2.gz YFYDDZIUIWGJHN-NSHDSACASA-N 1 1 185.311 2.287 10 0 AEAEMO CCOCC[N@H+]1CCCCC[C@H]1C 603968513 346960560 /nfs/dbraw/zinc/96/05/60/346960560.db2.gz YFYDDZIUIWGJHN-LLVKDONJSA-N 1 1 185.311 2.287 10 0 AEAEMO COCCC[N@H+]1CCCCC[C@@H]1C 603942382 346960593 /nfs/dbraw/zinc/96/05/93/346960593.db2.gz LTQAUWRIHMYYML-NSHDSACASA-N 1 1 185.311 2.287 10 0 AEAEMO COCCCC[N@@H+](C)C1CCCC1 605149745 346968192 /nfs/dbraw/zinc/96/81/92/346968192.db2.gz HMHNUZCYNKOJPX-UHFFFAOYSA-N 1 1 185.311 2.287 10 0 AEAEMO COCCCC[N@@H+](C(C)C)C1CC1 605149738 346968292 /nfs/dbraw/zinc/96/82/92/346968292.db2.gz FSAIFSPGNIXFFK-UHFFFAOYSA-N 1 1 185.311 2.286 10 0 AEAEMO COCCCC[N@@H+](C)CC(C)C 605150166 346968386 /nfs/dbraw/zinc/96/83/86/346968386.db2.gz DPBQDJSFJNHSEV-UHFFFAOYSA-N 1 1 173.300 2.001 10 0 AEAEMO COCCCC[N@H+]1CCC[C@@H]1C1CC1 605150512 346968863 /nfs/dbraw/zinc/96/88/63/346968863.db2.gz HDBAGHJCYOTYLN-GFCCVEGCSA-N 1 1 197.322 2.287 10 0 AEAEMO CCCCC[N@@H+]1CC[C@H](CN(C)C)C1 605150912 346968950 /nfs/dbraw/zinc/96/89/50/346968950.db2.gz BSJITCJGSXJALJ-GFCCVEGCSA-N 1 1 198.354 2.060 10 0 AEAEMO CCCCC[N@H+]1CC[C@H](CN(C)C)C1 605150912 346968954 /nfs/dbraw/zinc/96/89/54/346968954.db2.gz BSJITCJGSXJALJ-GFCCVEGCSA-N 1 1 198.354 2.060 10 0 AEAEMO CCCCC[N@H+]1CCC[C@H](N(C)C)C1 605150797 346969108 /nfs/dbraw/zinc/96/91/08/346969108.db2.gz FXCBNTLRFSSGHK-LBPRGKRZSA-N 1 1 198.354 2.203 10 0 AEAEMO CCCCCN1CCC[C@H]([NH+](C)C)C1 605150797 346969112 /nfs/dbraw/zinc/96/91/12/346969112.db2.gz FXCBNTLRFSSGHK-LBPRGKRZSA-N 1 1 198.354 2.203 10 0 AEAEMO COCCCC[N@H+]1CCC[C@H]1C1CC1 605150513 346969130 /nfs/dbraw/zinc/96/91/30/346969130.db2.gz HDBAGHJCYOTYLN-LBPRGKRZSA-N 1 1 197.322 2.287 10 0 AEAEMO CCCCC[N@@H+]1CC[C@@H](CN(C)C)C1 605150913 346969194 /nfs/dbraw/zinc/96/91/94/346969194.db2.gz BSJITCJGSXJALJ-LBPRGKRZSA-N 1 1 198.354 2.060 10 0 AEAEMO CCCCC[N@H+]1CC[C@@H](CN(C)C)C1 605150913 346969196 /nfs/dbraw/zinc/96/91/96/346969196.db2.gz BSJITCJGSXJALJ-LBPRGKRZSA-N 1 1 198.354 2.060 10 0 AEAEMO CC[N@@H+](CCCCOC)CC1CC1 605150930 346969253 /nfs/dbraw/zinc/96/92/53/346969253.db2.gz GEDNJLUNHKCPPA-UHFFFAOYSA-N 1 1 185.311 2.145 10 0 AEAEMO Cc1nc(C[N@@H+](C)CC2CC2)cs1 605706848 346972899 /nfs/dbraw/zinc/97/28/99/346972899.db2.gz YUXSPYIFUVOGTG-UHFFFAOYSA-N 1 1 196.319 2.293 10 0 AEAEMO Cc1nc(C[N@H+](C)CC2CC2)cs1 605706848 346972896 /nfs/dbraw/zinc/97/28/96/346972896.db2.gz YUXSPYIFUVOGTG-UHFFFAOYSA-N 1 1 196.319 2.293 10 0 AEAEMO CC[N@@H+](Cc1cccc(C)n1)C1CC1 605898279 346973466 /nfs/dbraw/zinc/97/34/66/346973466.db2.gz BRTJQPJVAXTVKT-UHFFFAOYSA-N 1 1 190.290 2.374 10 0 AEAEMO CC[N@@H+](Cc1ccc(O)cc1)C1CC1 606431489 346982575 /nfs/dbraw/zinc/98/25/75/346982575.db2.gz CUEDFPHWSCNLBZ-UHFFFAOYSA-N 1 1 191.274 2.377 10 0 AEAEMO CC[C@H]1CCCCC[N@H+]1CCOC 606900864 346986150 /nfs/dbraw/zinc/98/61/50/346986150.db2.gz ROBWGEDEHXWMTA-NSHDSACASA-N 1 1 185.311 2.287 10 0 AEAEMO CC[C@@H]1CCCCC[N@H+]1CCOC 606900863 346986513 /nfs/dbraw/zinc/98/65/13/346986513.db2.gz ROBWGEDEHXWMTA-LLVKDONJSA-N 1 1 185.311 2.287 10 0 AEAEMO COCCCC[N@H+]1C[C@@H](C)C[C@H]1C 607154213 346988557 /nfs/dbraw/zinc/98/85/57/346988557.db2.gz FONLZHAAWRPGSO-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO COCCCC[N@H+]1C[C@H](C)C[C@@H]1C 607154211 346988785 /nfs/dbraw/zinc/98/87/85/346988785.db2.gz FONLZHAAWRPGSO-MNOVXSKESA-N 1 1 185.311 2.143 10 0 AEAEMO COCCCC[N@H+]1C[C@@H](C)C[C@@H]1C 607154212 346988798 /nfs/dbraw/zinc/98/87/98/346988798.db2.gz FONLZHAAWRPGSO-QWRGUYRKSA-N 1 1 185.311 2.143 10 0 AEAEMO COCCCC[N@H+]1C[C@H](C)C[C@H]1C 607154210 346988880 /nfs/dbraw/zinc/98/88/80/346988880.db2.gz FONLZHAAWRPGSO-GHMZBOCLSA-N 1 1 185.311 2.143 10 0 AEAEMO CCOCC[N@@H+](C(C)C)C1CCC1 607358658 346990914 /nfs/dbraw/zinc/99/09/14/346990914.db2.gz CMTFNTUEZPUTGW-UHFFFAOYSA-N 1 1 185.311 2.286 10 0 AEAEMO CCCC[N@@H+](C)CCOCC1CC1 607725068 346992083 /nfs/dbraw/zinc/99/20/83/346992083.db2.gz HEPFCMXVYULUJA-UHFFFAOYSA-N 1 1 185.311 2.145 10 0 AEAEMO CCCC[N@@H+](C)CCCOCC 607725048 346992116 /nfs/dbraw/zinc/99/21/16/346992116.db2.gz AFNBMUDZIWVLFR-UHFFFAOYSA-N 1 1 173.300 2.145 10 0 AEAEMO CCOCCC[N@@H+](C)CCC(C)C 607727106 346992572 /nfs/dbraw/zinc/99/25/72/346992572.db2.gz DPLOSIKLNUQVTJ-UHFFFAOYSA-N 1 1 187.327 2.391 10 0 AEAEMO CCOCCC[N@@H+](C)Cc1ccoc1 607727444 346992784 /nfs/dbraw/zinc/99/27/84/346992784.db2.gz FDFHEUOQLMCHQX-UHFFFAOYSA-N 1 1 197.278 2.138 10 0 AEAEMO CCC[N@@H+](CC)CCOCC1CC1 607727792 346993027 /nfs/dbraw/zinc/99/30/27/346993027.db2.gz COPMIRAOZSERCC-UHFFFAOYSA-N 1 1 185.311 2.145 10 0 AEAEMO CCOCCC[N@H+]1CCCC1(C)C 607729137 346993410 /nfs/dbraw/zinc/99/34/10/346993410.db2.gz OLOHLCHZGGOOOO-UHFFFAOYSA-N 1 1 185.311 2.287 10 0 AEAEMO CCOCCC[N@H+]1CCC[C@H]1C1CC1 607729178 346993472 /nfs/dbraw/zinc/99/34/72/346993472.db2.gz ATHKBKPLKSKAFC-LBPRGKRZSA-N 1 1 197.322 2.287 10 0 AEAEMO CCOCCC[N@H+]1CCC[C@@H]1C1CC1 607729177 346993476 /nfs/dbraw/zinc/99/34/76/346993476.db2.gz ATHKBKPLKSKAFC-GFCCVEGCSA-N 1 1 197.322 2.287 10 0 AEAEMO CCOCCC[N@@H+](C)C[C@H](C)CC 607731548 346993616 /nfs/dbraw/zinc/99/36/16/346993616.db2.gz BTKZHXRQERXWBZ-LLVKDONJSA-N 1 1 187.327 2.391 10 0 AEAEMO CCOCCC[N@@H+](C)C[C@@H](C)CC 607731549 346993638 /nfs/dbraw/zinc/99/36/38/346993638.db2.gz BTKZHXRQERXWBZ-NSHDSACASA-N 1 1 187.327 2.391 10 0 AEAEMO CC1(C)CCC[N@H+]1CCOCC1CC1 607729121 346993651 /nfs/dbraw/zinc/99/36/51/346993651.db2.gz IIMYHBWHATVOIG-UHFFFAOYSA-N 1 1 197.322 2.287 10 0 AEAEMO CCOCCC[N@@H+](CC)CC(C)C 607732407 346994344 /nfs/dbraw/zinc/99/43/44/346994344.db2.gz DCCHELOZJDYQOG-UHFFFAOYSA-N 1 1 187.327 2.391 10 0 AEAEMO CCOCCC[N@@H+](CC)CC1CC1 607732075 346994670 /nfs/dbraw/zinc/99/46/70/346994670.db2.gz AXNCTMOMRLIJEE-UHFFFAOYSA-N 1 1 185.311 2.145 10 0 AEAEMO COCCC[N@H+]1CCC[C@H](C)[C@H]1C 607740628 346995228 /nfs/dbraw/zinc/99/52/28/346995228.db2.gz DVIPCYBEOHUEOJ-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO COCCC[N@H+]1CCC[C@@H](C)[C@H]1C 607740625 346995280 /nfs/dbraw/zinc/99/52/80/346995280.db2.gz DVIPCYBEOHUEOJ-GHMZBOCLSA-N 1 1 185.311 2.143 10 0 AEAEMO CCCC[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 607739265 346995349 /nfs/dbraw/zinc/99/53/49/346995349.db2.gz QNGGWLYPLDPEKO-NWDGAFQWSA-N 1 1 198.354 2.201 10 0 AEAEMO COCCC[N@H+]1CCC[C@@H](C)[C@@H]1C 607740626 346995486 /nfs/dbraw/zinc/99/54/86/346995486.db2.gz DVIPCYBEOHUEOJ-MNOVXSKESA-N 1 1 185.311 2.143 10 0 AEAEMO CCCC[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 607739267 346995522 /nfs/dbraw/zinc/99/55/22/346995522.db2.gz QNGGWLYPLDPEKO-VXGBXAGGSA-N 1 1 198.354 2.201 10 0 AEAEMO CCCC[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 607739261 346995750 /nfs/dbraw/zinc/99/57/50/346995750.db2.gz QNGGWLYPLDPEKO-NEPJUHHUSA-N 1 1 198.354 2.201 10 0 AEAEMO COCCC[N@H+]1CCC[C@H](C)[C@@H]1C 607740627 346995864 /nfs/dbraw/zinc/99/58/64/346995864.db2.gz DVIPCYBEOHUEOJ-QWRGUYRKSA-N 1 1 185.311 2.143 10 0 AEAEMO CCCC[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 607739266 346995954 /nfs/dbraw/zinc/99/59/54/346995954.db2.gz QNGGWLYPLDPEKO-RYUDHWBXSA-N 1 1 198.354 2.201 10 0 AEAEMO C[C@@H]1CCC[N@@H+](CC2(C)COC2)CC1 608493552 347004020 /nfs/dbraw/zinc/00/40/20/347004020.db2.gz WJOYOAYNYLVLQQ-LLVKDONJSA-N 1 1 197.322 2.145 10 0 AEAEMO CCc1cnc(C[N@H+](C)CC2CC2)o1 608492765 347004136 /nfs/dbraw/zinc/00/41/36/347004136.db2.gz HHZWGDXNRFSJAF-UHFFFAOYSA-N 1 1 194.278 2.079 10 0 AEAEMO CC[N@@H+](CC1CCC1)[C@H](C)COC 608492877 347004456 /nfs/dbraw/zinc/00/44/56/347004456.db2.gz HLQNFWFVSMYPFJ-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[N@@H+](CC1CCC1)[C@@H](C)COC 608492876 347004571 /nfs/dbraw/zinc/00/45/71/347004571.db2.gz HLQNFWFVSMYPFJ-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1CC1(C)COC1 608497396 347006003 /nfs/dbraw/zinc/00/60/03/347006003.db2.gz HEYDJYIXMBGCIW-LLVKDONJSA-N 1 1 197.322 2.287 10 0 AEAEMO CCOCC[N@@H+](CC)CC1CCC1 608497099 347006301 /nfs/dbraw/zinc/00/63/01/347006301.db2.gz BXSAVVNINOBURX-UHFFFAOYSA-N 1 1 185.311 2.145 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1CC1(C)COC1 608497397 347006462 /nfs/dbraw/zinc/00/64/62/347006462.db2.gz HEYDJYIXMBGCIW-NSHDSACASA-N 1 1 197.322 2.287 10 0 AEAEMO COCCC[N@H+]1CCC[C@@H]2CCC[C@H]21 608498445 347007997 /nfs/dbraw/zinc/00/79/97/347007997.db2.gz GHUXBKQBKMVTLS-NWDGAFQWSA-N 1 1 197.322 2.287 10 0 AEAEMO COCCC[N@H+]1CCC[C@H]2CCC[C@H]21 608498447 347008052 /nfs/dbraw/zinc/00/80/52/347008052.db2.gz GHUXBKQBKMVTLS-VXGBXAGGSA-N 1 1 197.322 2.287 10 0 AEAEMO COCCC[N@H+]1CCC[C@@H]2CCC[C@@H]21 608498446 347008179 /nfs/dbraw/zinc/00/81/79/347008179.db2.gz GHUXBKQBKMVTLS-RYUDHWBXSA-N 1 1 197.322 2.287 10 0 AEAEMO COCCC[N@H+]1CCC[C@H]2CCC[C@@H]21 608498444 347008328 /nfs/dbraw/zinc/00/83/28/347008328.db2.gz GHUXBKQBKMVTLS-NEPJUHHUSA-N 1 1 197.322 2.287 10 0 AEAEMO CCC[N@H+](C)CC[C@H]1CCCCN1C 608500903 347008989 /nfs/dbraw/zinc/00/89/89/347008989.db2.gz FWTCAYRSWUDHJL-GFCCVEGCSA-N 1 1 198.354 2.203 10 0 AEAEMO CCC[N@@H+](C)CC[C@H]1CCCCN1C 608500903 347008991 /nfs/dbraw/zinc/00/89/91/347008991.db2.gz FWTCAYRSWUDHJL-GFCCVEGCSA-N 1 1 198.354 2.203 10 0 AEAEMO CCC[N@H+](C)CC[C@@H]1CCCCN1C 608500904 347009089 /nfs/dbraw/zinc/00/90/89/347009089.db2.gz FWTCAYRSWUDHJL-LBPRGKRZSA-N 1 1 198.354 2.203 10 0 AEAEMO CCC[N@@H+](C)CC[C@@H]1CCCCN1C 608500904 347009092 /nfs/dbraw/zinc/00/90/92/347009092.db2.gz FWTCAYRSWUDHJL-LBPRGKRZSA-N 1 1 198.354 2.203 10 0 AEAEMO COCCC[N@H+]1C[C@@H](C)CC[C@H]1C 608511224 347010321 /nfs/dbraw/zinc/01/03/21/347010321.db2.gz KDLCLZYBQRCLOZ-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO C[C@H]1CC[C@@H](C)[N@@H+](CC2(C)COC2)C1 608511107 347010335 /nfs/dbraw/zinc/01/03/35/347010335.db2.gz KOZXNDQUCFGUKB-WDEREUQCSA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CCCO2)C1 608511102 347010362 /nfs/dbraw/zinc/01/03/62/347010362.db2.gz KMYKVYYPBKVCGN-UTUOFQBUSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@H]1CC[C@@H](C)C[N@@H+]1CC1(C)COC1 608511105 347010442 /nfs/dbraw/zinc/01/04/42/347010442.db2.gz KOZXNDQUCFGUKB-MNOVXSKESA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@@H]1CC[C@@H](C)[N@@H+](CC2(C)COC2)C1 608511104 347010467 /nfs/dbraw/zinc/01/04/67/347010467.db2.gz KOZXNDQUCFGUKB-GHMZBOCLSA-N 1 1 197.322 2.143 10 0 AEAEMO COCCC[N@H+]1C[C@H](C)CC[C@@H]1C 608511222 347010478 /nfs/dbraw/zinc/01/04/78/347010478.db2.gz KDLCLZYBQRCLOZ-MNOVXSKESA-N 1 1 185.311 2.143 10 0 AEAEMO CCOCC[N@H+]1C[C@H](C)CC[C@@H]1C 608511235 347010505 /nfs/dbraw/zinc/01/05/05/347010505.db2.gz OMHLIZICGIOACK-MNOVXSKESA-N 1 1 185.311 2.143 10 0 AEAEMO C[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]2CCCO2)C1 608511101 347010510 /nfs/dbraw/zinc/01/05/10/347010510.db2.gz KMYKVYYPBKVCGN-IJLUTSLNSA-N 1 1 197.322 2.286 10 0 AEAEMO CCOCC[N@H+]1C[C@@H](C)CC[C@@H]1C 608511236 347010548 /nfs/dbraw/zinc/01/05/48/347010548.db2.gz OMHLIZICGIOACK-QWRGUYRKSA-N 1 1 185.311 2.143 10 0 AEAEMO C[C@H]1CC[C@@H](C)C[N@@H+]1C[C@@H]1CCCO1 608511103 347010604 /nfs/dbraw/zinc/01/06/04/347010604.db2.gz KMYKVYYPBKVCGN-WOPDTQHZSA-N 1 1 197.322 2.286 10 0 AEAEMO COCCC[N@H+]1C[C@H](C)CC[C@H]1C 608511221 347010648 /nfs/dbraw/zinc/01/06/48/347010648.db2.gz KDLCLZYBQRCLOZ-GHMZBOCLSA-N 1 1 185.311 2.143 10 0 AEAEMO COC[C@H](C)[N@@H+](C)Cc1ccc(C)o1 608559783 347010657 /nfs/dbraw/zinc/01/06/57/347010657.db2.gz MCOAHQPVNPKICS-VIFPVBQESA-N 1 1 197.278 2.055 10 0 AEAEMO COC[C@@H](C)[N@@H+](C)Cc1ccc(C)o1 608559782 347010687 /nfs/dbraw/zinc/01/06/87/347010687.db2.gz MCOAHQPVNPKICS-SECBINFHSA-N 1 1 197.278 2.055 10 0 AEAEMO CCOCC[N@H+]1C[C@H](C)CC[C@H]1C 608511234 347010701 /nfs/dbraw/zinc/01/07/01/347010701.db2.gz OMHLIZICGIOACK-GHMZBOCLSA-N 1 1 185.311 2.143 10 0 AEAEMO C[C@H]1CC[C@@H](C)C[N@@H+]1C[C@@H]1CCOC1 608511134 347010717 /nfs/dbraw/zinc/01/07/17/347010717.db2.gz RMVUISILMQNZJQ-WOPDTQHZSA-N 1 1 197.322 2.143 10 0 AEAEMO CCOCC[N@H+]1C[C@@H](C)CC[C@H]1C 608511237 347010763 /nfs/dbraw/zinc/01/07/63/347010763.db2.gz OMHLIZICGIOACK-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO COCCC[N@H+]1C[C@@H](C)CC[C@@H]1C 608511223 347010768 /nfs/dbraw/zinc/01/07/68/347010768.db2.gz KDLCLZYBQRCLOZ-QWRGUYRKSA-N 1 1 185.311 2.143 10 0 AEAEMO C[C@H]1CC[C@H](C)[N@@H+](CC2(C)COC2)C1 608511106 347010779 /nfs/dbraw/zinc/01/07/79/347010779.db2.gz KOZXNDQUCFGUKB-QWRGUYRKSA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CCOC2)C1 608511133 347010787 /nfs/dbraw/zinc/01/07/87/347010787.db2.gz RMVUISILMQNZJQ-UTUOFQBUSA-N 1 1 197.322 2.143 10 0 AEAEMO CCOCC[N@H+]1CC[C@H](CC(C)C)C1 608746424 347012891 /nfs/dbraw/zinc/01/28/91/347012891.db2.gz HOPARPNFEKSMHL-GFCCVEGCSA-N 1 1 199.338 2.391 10 0 AEAEMO CCOCC[N@H+]1CC[C@@H](CC(C)C)C1 608746429 347013063 /nfs/dbraw/zinc/01/30/63/347013063.db2.gz HOPARPNFEKSMHL-LBPRGKRZSA-N 1 1 199.338 2.391 10 0 AEAEMO CC[C@@H]1C[C@H](C)C[N@H+]1CCCOC 608752401 347013823 /nfs/dbraw/zinc/01/38/23/347013823.db2.gz FCEOBZLZUHOIGU-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@@H]1C[C@@H](C)C[N@H+]1CC1(C)COC1 608752426 347013908 /nfs/dbraw/zinc/01/39/08/347013908.db2.gz IDYUDNNUWCSXRX-GHMZBOCLSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[C@H]1C[C@H](C)C[N@H+]1CCCOC 608752400 347013921 /nfs/dbraw/zinc/01/39/21/347013921.db2.gz FCEOBZLZUHOIGU-QWRGUYRKSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@@H]1C[C@H](C)C[N@H+]1CC1(C)COC1 608752430 347014027 /nfs/dbraw/zinc/01/40/27/347014027.db2.gz IDYUDNNUWCSXRX-WDEREUQCSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCCOC 608752398 347014117 /nfs/dbraw/zinc/01/41/17/347014117.db2.gz FCEOBZLZUHOIGU-GHMZBOCLSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@H]1C[C@@H](C)C[N@H+]1CC1(C)COC1 608752427 347014119 /nfs/dbraw/zinc/01/41/19/347014119.db2.gz IDYUDNNUWCSXRX-MNOVXSKESA-N 1 1 197.322 2.143 10 0 AEAEMO CC[C@H]1C[C@@H](C)C[N@H+]1CCCOC 608752399 347014126 /nfs/dbraw/zinc/01/41/26/347014126.db2.gz FCEOBZLZUHOIGU-MNOVXSKESA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@H]1C[C@H](C)C[N@H+]1CC1(C)COC1 608752429 347014144 /nfs/dbraw/zinc/01/41/44/347014144.db2.gz IDYUDNNUWCSXRX-QWRGUYRKSA-N 1 1 197.322 2.143 10 0 AEAEMO CSCC[N@@H+](C)Cc1ccc(C)o1 608872445 347015170 /nfs/dbraw/zinc/01/51/70/347015170.db2.gz FYKPFRBJRWGQII-UHFFFAOYSA-N 1 1 199.319 2.383 10 0 AEAEMO CSCC[N@@H+](C)CC(C)(C)C 608892123 347015284 /nfs/dbraw/zinc/01/52/84/347015284.db2.gz HPZBLXNSSNBHQI-UHFFFAOYSA-N 1 1 175.341 2.327 10 0 AEAEMO CC[N@@H+](CCSC)Cc1ccoc1 608840304 347015431 /nfs/dbraw/zinc/01/54/31/347015431.db2.gz PECLVVHNWSYHJR-UHFFFAOYSA-N 1 1 199.319 2.465 10 0 AEAEMO CSCC[N@H+]1CCC[C@@H]1C1CC1 609137209 347015790 /nfs/dbraw/zinc/01/57/90/347015790.db2.gz SMJHLOYGFGDSIU-SNVBAGLBSA-N 1 1 185.336 2.224 10 0 AEAEMO CSCC[N@H+]1CCC[C@H]1C1CC1 609137208 347015803 /nfs/dbraw/zinc/01/58/03/347015803.db2.gz SMJHLOYGFGDSIU-JTQLQIEISA-N 1 1 185.336 2.224 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1CCSC 609046348 347015998 /nfs/dbraw/zinc/01/59/98/347015998.db2.gz MBFIQESJYIBGBP-SECBINFHSA-N 1 1 173.325 2.224 10 0 AEAEMO CC[C@H]1CCC[N@H+]1CCSC 609046356 347016145 /nfs/dbraw/zinc/01/61/45/347016145.db2.gz MBFIQESJYIBGBP-VIFPVBQESA-N 1 1 173.325 2.224 10 0 AEAEMO CSCC[N@H+]1CCCC(C)(C)C1 609578731 347019424 /nfs/dbraw/zinc/01/94/24/347019424.db2.gz BGAMDGLRPRHKBB-UHFFFAOYSA-N 1 1 187.352 2.471 10 0 AEAEMO CCSCC[N@@H+](C)[C@H](C)CC 609850439 347019950 /nfs/dbraw/zinc/01/99/50/347019950.db2.gz CZYDWHRDMBKDKA-SECBINFHSA-N 1 1 175.341 2.470 10 0 AEAEMO CCSCC[N@@H+](C)Cc1ccco1 609851288 347020193 /nfs/dbraw/zinc/02/01/93/347020193.db2.gz GFEGEMXBXXGWMH-UHFFFAOYSA-N 1 1 199.319 2.465 10 0 AEAEMO CCSCC[N@@H+](C)[C@@H](C)CC 609850440 347020296 /nfs/dbraw/zinc/02/02/96/347020296.db2.gz CZYDWHRDMBKDKA-VIFPVBQESA-N 1 1 175.341 2.470 10 0 AEAEMO CC[N@@H+](CCSC)C1CCC1 610012866 347020977 /nfs/dbraw/zinc/02/09/77/347020977.db2.gz JSOADIREEOQFHB-UHFFFAOYSA-N 1 1 173.325 2.224 10 0 AEAEMO CCCC[N@@H+](C)CCCSC 610211484 347021621 /nfs/dbraw/zinc/02/16/21/347021621.db2.gz HUADBGMUQJQJHW-UHFFFAOYSA-N 1 1 175.341 2.471 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)CCCSC 610211549 347021669 /nfs/dbraw/zinc/02/16/69/347021669.db2.gz BVUDUKFNDMTZQG-SECBINFHSA-N 1 1 175.341 2.470 10 0 AEAEMO CC[C@H](C)[N@@H+](C)CCCSC 610211550 347022037 /nfs/dbraw/zinc/02/20/37/347022037.db2.gz BVUDUKFNDMTZQG-VIFPVBQESA-N 1 1 175.341 2.470 10 0 AEAEMO CSCC[N@H+]1CCC[C@@H](C)[C@@H]1C 610216470 347022496 /nfs/dbraw/zinc/02/24/96/347022496.db2.gz AZNJGWFWVSYADW-ZJUUUORDSA-N 1 1 187.352 2.470 10 0 AEAEMO CSCC[N@H+]1CCC[C@@H](C)[C@H]1C 610216467 347022511 /nfs/dbraw/zinc/02/25/11/347022511.db2.gz AZNJGWFWVSYADW-NXEZZACHSA-N 1 1 187.352 2.470 10 0 AEAEMO CSCC[N@H+]1CCC[C@H](C)[C@H]1C 610216469 347022588 /nfs/dbraw/zinc/02/25/88/347022588.db2.gz AZNJGWFWVSYADW-VHSXEESVSA-N 1 1 187.352 2.470 10 0 AEAEMO CCSCC[N@@H+](C)CC(C)C 610212940 347022997 /nfs/dbraw/zinc/02/29/97/347022997.db2.gz GTRULESMZKYGMQ-UHFFFAOYSA-N 1 1 175.341 2.327 10 0 AEAEMO CSCCC[N@@H+](C)CC1CCC1 610369501 347023687 /nfs/dbraw/zinc/02/36/87/347023687.db2.gz DMNNUPZCTPYXPF-UHFFFAOYSA-N 1 1 187.352 2.471 10 0 AEAEMO CSCCC[N@@H+](C)CC1CC1 610367775 347023836 /nfs/dbraw/zinc/02/38/36/347023836.db2.gz XKNUQCXQQWDSDL-UHFFFAOYSA-N 1 1 173.325 2.081 10 0 AEAEMO CSCC[N@H+]1C[C@@H](C)CC[C@H]1C 610372186 347024260 /nfs/dbraw/zinc/02/42/60/347024260.db2.gz NTGWPUYMPVZYGI-VHSXEESVSA-N 1 1 187.352 2.470 10 0 AEAEMO CSCC[N@H+]1C[C@H](C)CC[C@@H]1C 610372187 347024365 /nfs/dbraw/zinc/02/43/65/347024365.db2.gz NTGWPUYMPVZYGI-ZJUUUORDSA-N 1 1 187.352 2.470 10 0 AEAEMO CSCC[N@H+]1C[C@@H](C)CC[C@@H]1C 610372185 347024426 /nfs/dbraw/zinc/02/44/26/347024426.db2.gz NTGWPUYMPVZYGI-UWVGGRQHSA-N 1 1 187.352 2.470 10 0 AEAEMO CSCC[N@H+]1C[C@H](C)CC[C@H]1C 610372184 347024504 /nfs/dbraw/zinc/02/45/04/347024504.db2.gz NTGWPUYMPVZYGI-NXEZZACHSA-N 1 1 187.352 2.470 10 0 AEAEMO CC[C@H]1C[C@H](C)C[N@H+]1CCSC 610410714 347024974 /nfs/dbraw/zinc/02/49/74/347024974.db2.gz LGWLGCSRDLSYQO-UWVGGRQHSA-N 1 1 187.352 2.470 10 0 AEAEMO CC[C@@H]1C[C@H](C)C[N@H+]1CCSC 610410715 347025076 /nfs/dbraw/zinc/02/50/76/347025076.db2.gz LGWLGCSRDLSYQO-VHSXEESVSA-N 1 1 187.352 2.470 10 0 AEAEMO CC[C@H]1C[C@@H](C)C[N@H+]1CCSC 610410716 347025184 /nfs/dbraw/zinc/02/51/84/347025184.db2.gz LGWLGCSRDLSYQO-ZJUUUORDSA-N 1 1 187.352 2.470 10 0 AEAEMO CSCCC[N@H+]1CCC[C@H]1C 610602696 347027036 /nfs/dbraw/zinc/02/70/36/347027036.db2.gz BPMCVELIFGUJFK-SECBINFHSA-N 1 1 173.325 2.224 10 0 AEAEMO CSCCC[N@H+]1CCC[C@@H]1C 610602706 347027200 /nfs/dbraw/zinc/02/72/00/347027200.db2.gz BPMCVELIFGUJFK-VIFPVBQESA-N 1 1 173.325 2.224 10 0 AEAEMO CCSCC[N@H+]1CCC[C@H]1C 610604096 347027469 /nfs/dbraw/zinc/02/74/69/347027469.db2.gz ZXIXQGNHFNCRHK-SECBINFHSA-N 1 1 173.325 2.224 10 0 AEAEMO CCSCC[N@H+]1CCC[C@@H]1C 610604097 347027543 /nfs/dbraw/zinc/02/75/43/347027543.db2.gz ZXIXQGNHFNCRHK-VIFPVBQESA-N 1 1 173.325 2.224 10 0 AEAEMO CSCC[N@@H+](C)[C@@H](C)C1(C)CC1 610648612 347028002 /nfs/dbraw/zinc/02/80/02/347028002.db2.gz ZPMWCZTYSYOQHS-VIFPVBQESA-N 1 1 187.352 2.470 10 0 AEAEMO CSCC[N@@H+](C)[C@H](C)C1(C)CC1 610648611 347028041 /nfs/dbraw/zinc/02/80/41/347028041.db2.gz ZPMWCZTYSYOQHS-SECBINFHSA-N 1 1 187.352 2.470 10 0 AEAEMO CCC[N@@H+](CCSC)CC1CC1 610666769 347028344 /nfs/dbraw/zinc/02/83/44/347028344.db2.gz VFMACLSFFWVZGB-UHFFFAOYSA-N 1 1 187.352 2.471 10 0 AEAEMO CC[C@@H]1CC[N@@H+](CCSC)C1 610676765 347028945 /nfs/dbraw/zinc/02/89/45/347028945.db2.gz YDVJPVCECVUWIY-SECBINFHSA-N 1 1 173.325 2.081 10 0 AEAEMO CSCC[N@H+]1CC[C@H](C(C)C)C1 610676727 347028985 /nfs/dbraw/zinc/02/89/85/347028985.db2.gz ASUVOKCZFKSLIB-JTQLQIEISA-N 1 1 187.352 2.327 10 0 AEAEMO CC[C@H]1CC[N@@H+](CCSC)C1 610676766 347029019 /nfs/dbraw/zinc/02/90/19/347029019.db2.gz YDVJPVCECVUWIY-VIFPVBQESA-N 1 1 173.325 2.081 10 0 AEAEMO CSCC[N@H+]1CC[C@@H](C(C)C)C1 610676728 347029024 /nfs/dbraw/zinc/02/90/24/347029024.db2.gz ASUVOKCZFKSLIB-SNVBAGLBSA-N 1 1 187.352 2.327 10 0 AEAEMO CC[C@@]1(C)CC[N@@H+](CCSC)C1 610721812 347029747 /nfs/dbraw/zinc/02/97/47/347029747.db2.gz CWLOSRPQCLOWKK-JTQLQIEISA-N 1 1 187.352 2.471 10 0 AEAEMO CC[C@]1(C)CC[N@@H+](CCSC)C1 610721813 347029844 /nfs/dbraw/zinc/02/98/44/347029844.db2.gz CWLOSRPQCLOWKK-SNVBAGLBSA-N 1 1 187.352 2.471 10 0 AEAEMO CSC[C@@H]1CCC[N@H+]1CC1CC1 610859486 347032851 /nfs/dbraw/zinc/03/28/51/347032851.db2.gz AIHUGBMMWHHZMP-JTQLQIEISA-N 1 1 185.336 2.224 10 0 AEAEMO CSC[C@H]1CCC[N@H+]1CC1CC1 610859487 347032896 /nfs/dbraw/zinc/03/28/96/347032896.db2.gz AIHUGBMMWHHZMP-SNVBAGLBSA-N 1 1 185.336 2.224 10 0 AEAEMO CCC(C)(C)[N@@H+](C)CCSC 610987658 347033645 /nfs/dbraw/zinc/03/36/45/347033645.db2.gz KIZQQCYTJDDJIJ-UHFFFAOYSA-N 1 1 175.341 2.470 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1CCCOC 613311513 347057689 /nfs/dbraw/zinc/05/76/89/347057689.db2.gz DBVGFHMPKMIORL-LLVKDONJSA-N 1 1 185.311 2.287 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1CCCOC 613311514 347057691 /nfs/dbraw/zinc/05/76/91/347057691.db2.gz DBVGFHMPKMIORL-NSHDSACASA-N 1 1 185.311 2.287 10 0 AEAEMO COCCC[N@@H+](C)Cc1ccc(C)o1 613383437 347058083 /nfs/dbraw/zinc/05/80/83/347058083.db2.gz ZVYGUZSEFDQBGM-UHFFFAOYSA-N 1 1 197.278 2.056 10 0 AEAEMO COCCC[N@@H+](C)Cc1ccsc1 613383601 347058258 /nfs/dbraw/zinc/05/82/58/347058258.db2.gz CIPYBWJRCMCVAF-UHFFFAOYSA-N 1 1 199.319 2.216 10 0 AEAEMO CC[C@H]1CCC[N@@H+](CCCOC)C1 613391064 347058776 /nfs/dbraw/zinc/05/87/76/347058776.db2.gz GCQZHAMKANYFTP-NSHDSACASA-N 1 1 185.311 2.145 10 0 AEAEMO CC[C@@H]1CCC[N@@H+](CCCOC)C1 613391063 347058827 /nfs/dbraw/zinc/05/88/27/347058827.db2.gz GCQZHAMKANYFTP-LLVKDONJSA-N 1 1 185.311 2.145 10 0 AEAEMO CC(C)CC[NH+]1CCC(N(C)C)CC1 613418112 347059289 /nfs/dbraw/zinc/05/92/89/347059289.db2.gz JPJLCXMRWMYGOV-UHFFFAOYSA-N 1 1 198.354 2.059 10 0 AEAEMO CCCC[N@@H+](CCCOC)C1CC1 613428130 347059425 /nfs/dbraw/zinc/05/94/25/347059425.db2.gz FZTLHTMAHGOVLK-UHFFFAOYSA-N 1 1 185.311 2.287 10 0 AEAEMO CC[N@@H+](CC=C(C)C)C[C@H]1CCOC1 613462726 347059797 /nfs/dbraw/zinc/05/97/97/347059797.db2.gz CSWQHIJEERSUED-GFCCVEGCSA-N 1 1 197.322 2.311 10 0 AEAEMO CC[N@@H+](CC=C(C)C)C[C@@H]1CCOC1 613462727 347060025 /nfs/dbraw/zinc/06/00/25/347060025.db2.gz CSWQHIJEERSUED-LBPRGKRZSA-N 1 1 197.322 2.311 10 0 AEAEMO COCCC[N@@H+](C)CCC(C)C 613502158 347060863 /nfs/dbraw/zinc/06/08/63/347060863.db2.gz HQIICMQYEVJRQM-UHFFFAOYSA-N 1 1 173.300 2.001 10 0 AEAEMO CCOCC[N@@H+](C)CCC(C)C 613502111 347060931 /nfs/dbraw/zinc/06/09/31/347060931.db2.gz ATZBTCYYGIXDBQ-UHFFFAOYSA-N 1 1 173.300 2.001 10 0 AEAEMO CC[C@H]1[C@@H](C)CC[N@H+]1CCSC 614219069 347069101 /nfs/dbraw/zinc/06/91/01/347069101.db2.gz KJRYZDNTKFXWIQ-UWVGGRQHSA-N 1 1 187.352 2.470 10 0 AEAEMO CC[C@@H]1[C@H](C)CC[N@H+]1CCSC 614219068 347069210 /nfs/dbraw/zinc/06/92/10/347069210.db2.gz KJRYZDNTKFXWIQ-NXEZZACHSA-N 1 1 187.352 2.470 10 0 AEAEMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCSC 614219070 347069372 /nfs/dbraw/zinc/06/93/72/347069372.db2.gz KJRYZDNTKFXWIQ-VHSXEESVSA-N 1 1 187.352 2.470 10 0 AEAEMO CC[C@H]1[C@H](C)CC[N@H+]1CCSC 614219071 347069433 /nfs/dbraw/zinc/06/94/33/347069433.db2.gz KJRYZDNTKFXWIQ-ZJUUUORDSA-N 1 1 187.352 2.470 10 0 AEAEMO Cc1[nH+]ccn1CC1(F)CCCC1 616580819 347104551 /nfs/dbraw/zinc/10/45/51/347104551.db2.gz PVJBSERKQMDPFM-UHFFFAOYSA-N 1 1 182.242 2.474 10 0 AEAEMO CC[N@@H+]1CCc2ccccc2[C@H]1OC 616587292 347105743 /nfs/dbraw/zinc/10/57/43/347105743.db2.gz WSUYMKYYUYYUCP-GFCCVEGCSA-N 1 1 191.274 2.210 10 0 AEAEMO CC[N@H+]1CCc2ccccc2[C@H]1OC 616587292 347105746 /nfs/dbraw/zinc/10/57/46/347105746.db2.gz WSUYMKYYUYYUCP-GFCCVEGCSA-N 1 1 191.274 2.210 10 0 AEAEMO CC(C)[C@H]1CC[N@H+](C(C)C)CCO1 616593878 347106609 /nfs/dbraw/zinc/10/66/09/347106609.db2.gz MQXVBGDFRPBAIE-LLVKDONJSA-N 1 1 185.311 2.142 10 0 AEAEMO CC(C)[C@@H]1CCOCC[N@H+]1C(C)C 616598299 347108302 /nfs/dbraw/zinc/10/83/02/347108302.db2.gz OLECTPVIQUFMMW-NSHDSACASA-N 1 1 185.311 2.142 10 0 AEAEMO CC[C@H]1CC[N@H+](C(C)(C)C)CCO1 616594313 347107009 /nfs/dbraw/zinc/10/70/09/347107009.db2.gz FFBNENZCMREEPO-JTQLQIEISA-N 1 1 185.311 2.286 10 0 AEAEMO CC[N@H+]1CCCOC[C@H]1C(C)(C)C 616596610 347108064 /nfs/dbraw/zinc/10/80/64/347108064.db2.gz DKILYMNICJAHKL-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@@H]1COCCC[N@H+]1C(C)(C)C 616597108 347108100 /nfs/dbraw/zinc/10/81/00/347108100.db2.gz NBFYYBGLEWSZRM-SNVBAGLBSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@H]1CCOCC[N@H+]1C(C)(C)C 616597626 347108172 /nfs/dbraw/zinc/10/81/72/347108172.db2.gz FCUDSDKJAQWWES-JTQLQIEISA-N 1 1 185.311 2.286 10 0 AEAEMO CC[N@H+]1CCCOC[C@@H]1C(C)(C)C 616598553 347108662 /nfs/dbraw/zinc/10/86/62/347108662.db2.gz DKILYMNICJAHKL-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[N@H+]1CCCC[C@H](C(F)F)C1 616602260 347109036 /nfs/dbraw/zinc/10/90/36/347109036.db2.gz JSRYFGNIHAVWMZ-QMMMGPOBSA-N 1 1 177.238 2.374 10 0 AEAEMO CC[N@H+]1CCOCC[C@@H]1C(C)(C)C 616599902 347109040 /nfs/dbraw/zinc/10/90/40/347109040.db2.gz YRIGKIZCXUUIKH-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO C[N@H+]1CCCC[C@H](C(F)(F)F)C1 616602322 347109079 /nfs/dbraw/zinc/10/90/79/347109079.db2.gz LEKBAQMMFLJQAQ-ZETCQYMHSA-N 1 1 181.201 2.281 10 0 AEAEMO CC(C)[C@H]1COCCC[N@H+]1C(C)C 616599867 347109191 /nfs/dbraw/zinc/10/91/91/347109191.db2.gz RQLKAEKOSSKQNV-LLVKDONJSA-N 1 1 185.311 2.142 10 0 AEAEMO CO[C@@H]1CCC[N@H+](C(C)(C)C)CC1 616600857 347109270 /nfs/dbraw/zinc/10/92/70/347109270.db2.gz ILLUIQPGUGHXNO-SNVBAGLBSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[N@H+]1CCCC[C@H](c2cocn2)C1 616602668 347109281 /nfs/dbraw/zinc/10/92/81/347109281.db2.gz NKCRNKJDZWNNLM-JTQLQIEISA-N 1 1 194.278 2.264 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H](F)CC1 616602761 347109518 /nfs/dbraw/zinc/10/95/18/347109518.db2.gz SKJIEHCZXJQPAN-VIFPVBQESA-N 1 1 159.248 2.219 10 0 AEAEMO CC(=O)[C@@H]1CCC[N@H+](C(C)(C)C)CC1 616602244 347109546 /nfs/dbraw/zinc/10/95/46/347109546.db2.gz WAPHXEZMZMFPJU-LLVKDONJSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(C)(C)[N@H+]1CCCC[C@H](CCO)C1 616603212 347109918 /nfs/dbraw/zinc/10/99/18/347109918.db2.gz CUISNIUOFOOZOH-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO C[N@H+]1CCCC[C@H](c2ccncc2)C1 616603007 347109937 /nfs/dbraw/zinc/10/99/37/347109937.db2.gz RCKBLDFJLRXQMJ-LBPRGKRZSA-N 1 1 190.290 2.281 10 0 AEAEMO CC[N@H+]1CCCC[C@H](c2cnoc2)C1 616602977 347109952 /nfs/dbraw/zinc/10/99/52/347109952.db2.gz QYFMNNPLICYETK-JTQLQIEISA-N 1 1 194.278 2.264 10 0 AEAEMO CN(C)[C@H]1CCCC[N@H+](C(C)(C)C)C1 616603893 347109990 /nfs/dbraw/zinc/10/99/90/347109990.db2.gz JMNMRZNRHRCTLC-NSHDSACASA-N 1 1 198.354 2.201 10 0 AEAEMO CC[N@H+]1CCCC[C@H](c2ncco2)C1 616602883 347110031 /nfs/dbraw/zinc/11/00/31/347110031.db2.gz PLQLCVKZMXHXIP-JTQLQIEISA-N 1 1 194.278 2.264 10 0 AEAEMO CC(=O)[C@H]1CCCC[N@H+](C(C)(C)C)C1 616605073 347110038 /nfs/dbraw/zinc/11/00/38/347110038.db2.gz WKPCBGGWZMUDAU-NSHDSACASA-N 1 1 197.322 2.476 10 0 AEAEMO CC(C)(C)[C@H]1CCCC[N@@H+](CCN)C1 616605245 347110204 /nfs/dbraw/zinc/11/02/04/347110204.db2.gz WLSLAEQHQAROCF-NSHDSACASA-N 1 1 198.354 2.093 10 0 AEAEMO CC[N@H+]1CCCC[C@H](c2ccon2)C1 616603053 347110267 /nfs/dbraw/zinc/11/02/67/347110267.db2.gz RUERYRNMDWUGJE-JTQLQIEISA-N 1 1 194.278 2.264 10 0 AEAEMO C[N@H+]1CCCC[C@H](c2ccccn2)C1 616603651 347110297 /nfs/dbraw/zinc/11/02/97/347110297.db2.gz XXBOAGJTIFQSLA-NSHDSACASA-N 1 1 190.290 2.281 10 0 AEAEMO CC(=O)[C@H]1CCCC[N@H+](C(C)C)C1 616603164 347110420 /nfs/dbraw/zinc/11/04/20/347110420.db2.gz BSLMGDNRIUQURJ-NSHDSACASA-N 1 1 183.295 2.086 10 0 AEAEMO CO[C@H]1CCCC[N@H+](C(C)(C)C)C1 616604409 347110502 /nfs/dbraw/zinc/11/05/02/347110502.db2.gz NNRAIIHMAWEKSJ-JTQLQIEISA-N 1 1 185.311 2.286 10 0 AEAEMO CNc1ccccc1[C@H]1CCC[N@H+]1C 616606333 347110852 /nfs/dbraw/zinc/11/08/52/347110852.db2.gz CERFGSKGDWUDDG-GFCCVEGCSA-N 1 1 190.290 2.495 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H]1c1cncnc1 616606310 347110929 /nfs/dbraw/zinc/11/09/29/347110929.db2.gz BEDHRVOZBYUFFB-LLVKDONJSA-N 1 1 191.278 2.022 10 0 AEAEMO C[N@H+]1CCCC[C@@H](c2ccncc2)C1 616605629 347110991 /nfs/dbraw/zinc/11/09/91/347110991.db2.gz RCKBLDFJLRXQMJ-GFCCVEGCSA-N 1 1 190.290 2.281 10 0 AEAEMO CO[C@@H]1CCC[N@H+]1Cc1ccccc1 616606413 347111012 /nfs/dbraw/zinc/11/10/12/347111012.db2.gz CDZLFNUGFAMETO-GFCCVEGCSA-N 1 1 191.274 2.255 10 0 AEAEMO C[N@H+]1CCCC[C@@H](c2ccccn2)C1 616605871 347111019 /nfs/dbraw/zinc/11/10/19/347111019.db2.gz XXBOAGJTIFQSLA-LLVKDONJSA-N 1 1 190.290 2.281 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H]1c1cnco1 616606218 347111023 /nfs/dbraw/zinc/11/10/23/347111023.db2.gz CHPDUZKEFMQROV-VIFPVBQESA-N 1 1 180.251 2.220 10 0 AEAEMO CC(C)(C)[N@H+]1CCC[C@@H]1c1cnno1 616606488 347111087 /nfs/dbraw/zinc/11/10/87/347111087.db2.gz BTRVVIZUGVFPOM-MRVPVSSYSA-N 1 1 195.266 2.005 10 0 AEAEMO CC(C)(C)[N@H+]1CCC[C@@H]1c1c[nH]cn1 616606541 347111184 /nfs/dbraw/zinc/11/11/84/347111184.db2.gz CNNBBWYQJSZBLE-SNVBAGLBSA-N 1 1 193.294 2.345 10 0 AEAEMO CC(C)(C)[N@@H+]1CCC[C@@H]1c1cnc[nH]1 616606541 347111186 /nfs/dbraw/zinc/11/11/86/347111186.db2.gz CNNBBWYQJSZBLE-SNVBAGLBSA-N 1 1 193.294 2.345 10 0 AEAEMO CC(C)(C)[N@H+]1CCC[C@@H]1c1cnc[nH]1 616606541 347111188 /nfs/dbraw/zinc/11/11/88/347111188.db2.gz CNNBBWYQJSZBLE-SNVBAGLBSA-N 1 1 193.294 2.345 10 0 AEAEMO CO[C@H]1CCC[N@H+]1Cc1ccccc1 616606577 347111261 /nfs/dbraw/zinc/11/12/61/347111261.db2.gz CDZLFNUGFAMETO-LBPRGKRZSA-N 1 1 191.274 2.255 10 0 AEAEMO CC(C)(C)[N@H+]1CCC[C@@H]1c1cn[nH]c1 616606755 347111288 /nfs/dbraw/zinc/11/12/88/347111288.db2.gz FNPVMZRYKOSFQM-SNVBAGLBSA-N 1 1 193.294 2.345 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H]1c1cnco1 616606338 347111329 /nfs/dbraw/zinc/11/13/29/347111329.db2.gz CHPDUZKEFMQROV-SECBINFHSA-N 1 1 180.251 2.220 10 0 AEAEMO CNc1ccccc1[C@@H]1CCC[N@H+]1C 616606211 347111336 /nfs/dbraw/zinc/11/13/36/347111336.db2.gz CERFGSKGDWUDDG-LBPRGKRZSA-N 1 1 190.290 2.495 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H]1c1ccncn1 616606463 347111397 /nfs/dbraw/zinc/11/13/97/347111397.db2.gz IJKCIQYKLJSCNS-LLVKDONJSA-N 1 1 191.278 2.022 10 0 AEAEMO CC(C)(C)[N@H+]1CCC[C@H]1c1cn[nH]c1 616607088 347111872 /nfs/dbraw/zinc/11/18/72/347111872.db2.gz FNPVMZRYKOSFQM-JTQLQIEISA-N 1 1 193.294 2.345 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H]1c1ccnnc1 616606912 347111920 /nfs/dbraw/zinc/11/19/20/347111920.db2.gz KNPRGJHQWBOQRG-LLVKDONJSA-N 1 1 191.278 2.022 10 0 AEAEMO CC(C)(C)[N@H+]1CCC[C@H]1c1c[nH]cn1 616607044 347111997 /nfs/dbraw/zinc/11/19/97/347111997.db2.gz CNNBBWYQJSZBLE-JTQLQIEISA-N 1 1 193.294 2.345 10 0 AEAEMO CC(C)(C)[N@@H+]1CCC[C@H]1c1cnc[nH]1 616607044 347111999 /nfs/dbraw/zinc/11/19/99/347111999.db2.gz CNNBBWYQJSZBLE-JTQLQIEISA-N 1 1 193.294 2.345 10 0 AEAEMO CC(C)(C)[N@H+]1CCC[C@H]1c1cnc[nH]1 616607044 347112000 /nfs/dbraw/zinc/11/20/00/347112000.db2.gz CNNBBWYQJSZBLE-JTQLQIEISA-N 1 1 193.294 2.345 10 0 AEAEMO CNc1ccc([C@H]2CCC[N@H+]2C)cc1 616607042 347112008 /nfs/dbraw/zinc/11/20/08/347112008.db2.gz QFJOQMWFICZNHN-GFCCVEGCSA-N 1 1 190.290 2.495 10 0 AEAEMO CC(C)(C)[N@H+]1CCC[C@H]1c1cnno1 616607018 347112046 /nfs/dbraw/zinc/11/20/46/347112046.db2.gz BTRVVIZUGVFPOM-QMMMGPOBSA-N 1 1 195.266 2.005 10 0 AEAEMO CC[N@H+]1CCC[C@H]1c1ccccc1N 616606866 347112184 /nfs/dbraw/zinc/11/21/84/347112184.db2.gz LNXKFKRWPOKBAJ-LBPRGKRZSA-N 1 1 190.290 2.426 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H]1c1ccno1 616606850 347112189 /nfs/dbraw/zinc/11/21/89/347112189.db2.gz JKNLHEFWIQMMCL-SECBINFHSA-N 1 1 180.251 2.220 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H]1c1cncnc1 616606990 347112207 /nfs/dbraw/zinc/11/22/07/347112207.db2.gz BEDHRVOZBYUFFB-NSHDSACASA-N 1 1 191.278 2.022 10 0 AEAEMO CC[N@H+]1CCC[C@@H]1c1ccccc1N 616606930 347112400 /nfs/dbraw/zinc/11/24/00/347112400.db2.gz LNXKFKRWPOKBAJ-GFCCVEGCSA-N 1 1 190.290 2.426 10 0 AEAEMO CC(C)(C)[N@H+]1CCC[C@@H]1c1conn1 616606918 347112480 /nfs/dbraw/zinc/11/24/80/347112480.db2.gz HOHOJJHRNRYDHY-SECBINFHSA-N 1 1 195.266 2.005 10 0 AEAEMO CNc1cccc([C@@H]2CCC[N@H+]2C)c1 616607643 347112866 /nfs/dbraw/zinc/11/28/66/347112866.db2.gz WHOITPAZXVZCIE-LBPRGKRZSA-N 1 1 190.290 2.495 10 0 AEAEMO CC(C)(C)[N@H+]1CCC[C@H]1c1ncc[nH]1 616607727 347112877 /nfs/dbraw/zinc/11/28/77/347112877.db2.gz LXOQCQCNSHPMSN-VIFPVBQESA-N 1 1 193.294 2.345 10 0 AEAEMO CNc1cccc([C@H]2CCC[N@H+]2C)c1 616607642 347112901 /nfs/dbraw/zinc/11/29/01/347112901.db2.gz WHOITPAZXVZCIE-GFCCVEGCSA-N 1 1 190.290 2.495 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H]1c1ccon1 616607646 347112922 /nfs/dbraw/zinc/11/29/22/347112922.db2.gz WOERGKPLJQHAQL-SNVBAGLBSA-N 1 1 180.251 2.220 10 0 AEAEMO CC(C)(C)[N@H+]1CCC[C@H]1c1cc[nH]n1 616607691 347112939 /nfs/dbraw/zinc/11/29/39/347112939.db2.gz LAHLJRUQUPJIPF-JTQLQIEISA-N 1 1 193.294 2.345 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H]1c1ccncn1 616607473 347112996 /nfs/dbraw/zinc/11/29/96/347112996.db2.gz IJKCIQYKLJSCNS-NSHDSACASA-N 1 1 191.278 2.022 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H]1c1ccno1 616607503 347113005 /nfs/dbraw/zinc/11/30/05/347113005.db2.gz JKNLHEFWIQMMCL-VIFPVBQESA-N 1 1 180.251 2.220 10 0 AEAEMO CC(C)(C)[N@H+]1CCC[C@H]1c1conn1 616607441 347113013 /nfs/dbraw/zinc/11/30/13/347113013.db2.gz HOHOJJHRNRYDHY-VIFPVBQESA-N 1 1 195.266 2.005 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H]1c1cocn1 616607695 347113019 /nfs/dbraw/zinc/11/30/19/347113019.db2.gz YDPCAHSOCLJZRZ-SNVBAGLBSA-N 1 1 180.251 2.220 10 0 AEAEMO CC(C)(C)[N@H+]1CCC[C@@H]1c1cc[nH]n1 616607692 347113040 /nfs/dbraw/zinc/11/30/40/347113040.db2.gz LAHLJRUQUPJIPF-SNVBAGLBSA-N 1 1 193.294 2.345 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H]1c1cnoc1 616607306 347113086 /nfs/dbraw/zinc/11/30/86/347113086.db2.gz RQBFBZHFCYWUOX-SNVBAGLBSA-N 1 1 180.251 2.220 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H]1c1ccnnc1 616607592 347113215 /nfs/dbraw/zinc/11/32/15/347113215.db2.gz KNPRGJHQWBOQRG-NSHDSACASA-N 1 1 191.278 2.022 10 0 AEAEMO CC(C)(C)[N@H+]1CCC[C@@H]1c1ncc[nH]1 616607728 347113291 /nfs/dbraw/zinc/11/32/91/347113291.db2.gz LXOQCQCNSHPMSN-SECBINFHSA-N 1 1 193.294 2.345 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H]1c1cocn1 616607928 347113315 /nfs/dbraw/zinc/11/33/15/347113315.db2.gz YDPCAHSOCLJZRZ-JTQLQIEISA-N 1 1 180.251 2.220 10 0 AEAEMO CNc1ccc([C@@H]2CCC[N@H+]2C)cc1 616607404 347113345 /nfs/dbraw/zinc/11/33/45/347113345.db2.gz QFJOQMWFICZNHN-LBPRGKRZSA-N 1 1 190.290 2.495 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H]1c1cnoc1 616608306 347113847 /nfs/dbraw/zinc/11/38/47/347113847.db2.gz RQBFBZHFCYWUOX-JTQLQIEISA-N 1 1 180.251 2.220 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H]1c1ccon1 616608475 347113886 /nfs/dbraw/zinc/11/38/86/347113886.db2.gz WOERGKPLJQHAQL-JTQLQIEISA-N 1 1 180.251 2.220 10 0 AEAEMO CNc1ccccc1[C@H]1CC[N@@H+](C)C1 616609794 347114638 /nfs/dbraw/zinc/11/46/38/347114638.db2.gz BLYPRLGZQITMGN-JTQLQIEISA-N 1 1 190.290 2.147 10 0 AEAEMO C[N@H+]1CCC[C@@H](OC(F)(F)F)CC1 616609646 347114746 /nfs/dbraw/zinc/11/47/46/347114746.db2.gz FLBRFCRJROBKOU-SSDOTTSWSA-N 1 1 197.200 2.007 10 0 AEAEMO CC[N@H+]1CCC[C@@H](C(F)F)CC1 616609596 347114971 /nfs/dbraw/zinc/11/49/71/347114971.db2.gz CWWUJCXPAWUDOD-MRVPVSSYSA-N 1 1 177.238 2.374 10 0 AEAEMO CC[N@H+]1CCC[C@@H](c2cnoc2)CC1 616610525 347115544 /nfs/dbraw/zinc/11/55/44/347115544.db2.gz LLVVNWJQGZIYOK-SNVBAGLBSA-N 1 1 194.278 2.264 10 0 AEAEMO CC(=O)[C@@H]1CCC[N@H+](C(C)C)CC1 616611488 347116084 /nfs/dbraw/zinc/11/60/84/347116084.db2.gz RNTSBFIXEFOYSD-LLVKDONJSA-N 1 1 183.295 2.086 10 0 AEAEMO C[N@H+]1CCC[C@@H](c2cccnc2)CC1 616611542 347116215 /nfs/dbraw/zinc/11/62/15/347116215.db2.gz SCCFIWUDCAQKSR-LLVKDONJSA-N 1 1 190.290 2.281 10 0 AEAEMO CC[N@H+]1CCC[C@@H](c2cocn2)CC1 616611513 347116273 /nfs/dbraw/zinc/11/62/73/347116273.db2.gz RUNTZBXIGWXBGL-SNVBAGLBSA-N 1 1 194.278 2.264 10 0 AEAEMO CC[N@H+]1CCC[C@@H](c2cnco2)CC1 616611529 347116546 /nfs/dbraw/zinc/11/65/46/347116546.db2.gz RXKBMPZUVRTNRG-SNVBAGLBSA-N 1 1 194.278 2.264 10 0 AEAEMO C[N@H+]1CCC[C@@H](c2ccccn2)CC1 616611567 347116556 /nfs/dbraw/zinc/11/65/56/347116556.db2.gz STLJHWGCMKFHBV-LLVKDONJSA-N 1 1 190.290 2.281 10 0 AEAEMO CC(C)[N@H+]1CC[C@@H](OC(F)(F)F)C1 616612378 347116911 /nfs/dbraw/zinc/11/69/11/347116911.db2.gz CJMNXPAODQUVCF-SSDOTTSWSA-N 1 1 197.200 2.006 10 0 AEAEMO CC[N@H+]1CCC[C@@H](c2ccon2)CC1 616612668 347117121 /nfs/dbraw/zinc/11/71/21/347117121.db2.gz XJQOQHABVVRJBC-SNVBAGLBSA-N 1 1 194.278 2.264 10 0 AEAEMO C[N@H+]1CCC[C@@H](c2ccncc2)CC1 616612669 347117610 /nfs/dbraw/zinc/11/76/10/347117610.db2.gz XKWGIHLHUHAEHB-LLVKDONJSA-N 1 1 190.290 2.281 10 0 AEAEMO CNc1ccccc1[C@@H]1CC[N@@H+](C)C1 616612324 347117758 /nfs/dbraw/zinc/11/77/58/347117758.db2.gz BLYPRLGZQITMGN-SNVBAGLBSA-N 1 1 190.290 2.147 10 0 AEAEMO CC(C)(C)[N@H+]1CC[C@H](c2cnoc2)C1 616613615 347118439 /nfs/dbraw/zinc/11/84/39/347118439.db2.gz MUJYEXIQNMXNQS-VIFPVBQESA-N 1 1 194.278 2.262 10 0 AEAEMO CC(C)(C)[N@H+]1CC[C@H](c2ccon2)C1 616613546 347118841 /nfs/dbraw/zinc/11/88/41/347118841.db2.gz LNKXPPSGTLWNTD-VIFPVBQESA-N 1 1 194.278 2.262 10 0 AEAEMO CC[N@H+]1CCCC[C@@H]1c1cnoc1 616613761 347119315 /nfs/dbraw/zinc/11/93/15/347119315.db2.gz ACBRYFBVKFCISB-SNVBAGLBSA-N 1 1 180.251 2.222 10 0 AEAEMO CC(C)(C)[N@H+]1CC[C@H](c2ncco2)C1 616613845 347119475 /nfs/dbraw/zinc/11/94/75/347119475.db2.gz SDCUXVATOBAOAY-VIFPVBQESA-N 1 1 194.278 2.262 10 0 AEAEMO CC(C)(C)[N@H+]1CC[C@H](c2cnco2)C1 616613783 347119502 /nfs/dbraw/zinc/11/95/02/347119502.db2.gz QMDDAHFPFDQINT-VIFPVBQESA-N 1 1 194.278 2.262 10 0 AEAEMO CO[C@H]1CCCC[N@H+]1C(C)(C)C 616614072 347119505 /nfs/dbraw/zinc/11/95/05/347119505.db2.gz HWCYRYSRWGPSBP-VIFPVBQESA-N 1 1 171.284 2.243 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@@H]1c1cn[nH]c1 616613964 347119530 /nfs/dbraw/zinc/11/95/30/347119530.db2.gz FZCFSWSXVBIYGK-LLVKDONJSA-N 1 1 193.294 2.345 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@@H]1c1cnno1 616613897 347119578 /nfs/dbraw/zinc/11/95/78/347119578.db2.gz DHHZUJGZIVKNAK-SECBINFHSA-N 1 1 195.266 2.005 10 0 AEAEMO CC(C)(C)[N@H+]1CC[C@H](c2cocn2)C1 616613989 347119595 /nfs/dbraw/zinc/11/95/95/347119595.db2.gz YHLXRYHODIPOSI-VIFPVBQESA-N 1 1 194.278 2.262 10 0 AEAEMO CC(C)(C)[N@H+]1CC[C@H](C(F)F)C1 616613824 347119656 /nfs/dbraw/zinc/11/96/56/347119656.db2.gz RRQQMDKZXKTBGJ-ZETCQYMHSA-N 1 1 177.238 2.372 10 0 AEAEMO CC(C)[N@@H+]1CCCC[C@@H]1c1conn1 616613813 347119677 /nfs/dbraw/zinc/11/96/77/347119677.db2.gz BIJZXPLWCMFFCV-SNVBAGLBSA-N 1 1 195.266 2.005 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@@H]1c1conn1 616613813 347119678 /nfs/dbraw/zinc/11/96/78/347119678.db2.gz BIJZXPLWCMFFCV-SNVBAGLBSA-N 1 1 195.266 2.005 10 0 AEAEMO CC[N@H+]1CCCC[C@@H]1c1ccnnc1 616613976 347119802 /nfs/dbraw/zinc/11/98/02/347119802.db2.gz GHJQDTZREPYEGX-LLVKDONJSA-N 1 1 191.278 2.024 10 0 AEAEMO CC(C)(C)[N@H+]1CC[C@H](c2ccno2)C1 616613937 347119873 /nfs/dbraw/zinc/11/98/73/347119873.db2.gz VSMHWDWEFMEWKZ-VIFPVBQESA-N 1 1 194.278 2.262 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@@H]1c1ncc[nH]1 616613793 347119990 /nfs/dbraw/zinc/11/99/90/347119990.db2.gz AVTFFUIDJYBHSD-SNVBAGLBSA-N 1 1 193.294 2.345 10 0 AEAEMO CC(C)(C)[N@H+]1CC[C@@H](c2ncco2)C1 616614617 347120474 /nfs/dbraw/zinc/12/04/74/347120474.db2.gz SDCUXVATOBAOAY-SECBINFHSA-N 1 1 194.278 2.262 10 0 AEAEMO CC(C)(C)[N@H+]1CC[C@@H](c2ccno2)C1 616614812 347120521 /nfs/dbraw/zinc/12/05/21/347120521.db2.gz VSMHWDWEFMEWKZ-SECBINFHSA-N 1 1 194.278 2.262 10 0 AEAEMO CC[N@@H+]1CCCC[C@@H]1c1cocn1 616614478 347120591 /nfs/dbraw/zinc/12/05/91/347120591.db2.gz QIRFYTFJLFRYFU-SNVBAGLBSA-N 1 1 180.251 2.222 10 0 AEAEMO CC(C)(C)[N@H+]1CC[C@@H](c2cnoc2)C1 616614398 347120611 /nfs/dbraw/zinc/12/06/11/347120611.db2.gz MUJYEXIQNMXNQS-SECBINFHSA-N 1 1 194.278 2.262 10 0 AEAEMO CC[N@H+]1CCCC[C@@H]1c1cnco1 616614269 347120642 /nfs/dbraw/zinc/12/06/42/347120642.db2.gz NUEMGFXIHDNPGD-SECBINFHSA-N 1 1 180.251 2.222 10 0 AEAEMO CC[N@H+]1CCCC[C@@H]1c1ccon1 616614260 347120654 /nfs/dbraw/zinc/12/06/54/347120654.db2.gz NEWRZYLPVWUCQR-SNVBAGLBSA-N 1 1 180.251 2.222 10 0 AEAEMO CC[N@H+]1CCCC[C@@H]1c1ncco1 616614460 347120830 /nfs/dbraw/zinc/12/08/30/347120830.db2.gz PEURWASMOQNROV-SECBINFHSA-N 1 1 180.251 2.222 10 0 AEAEMO CC(C)(C)[N@H+]1CC[C@@H](c2cnco2)C1 616614589 347120911 /nfs/dbraw/zinc/12/09/11/347120911.db2.gz QMDDAHFPFDQINT-SECBINFHSA-N 1 1 194.278 2.262 10 0 AEAEMO CC[N@@H+]1CCCC[C@@H]1c1ncccn1 616614497 347120960 /nfs/dbraw/zinc/12/09/60/347120960.db2.gz RONHPLIFLCEXPD-SNVBAGLBSA-N 1 1 191.278 2.024 10 0 AEAEMO CC[N@H+]1CCCC[C@@H]1c1ncccn1 616614497 347120963 /nfs/dbraw/zinc/12/09/63/347120963.db2.gz RONHPLIFLCEXPD-SNVBAGLBSA-N 1 1 191.278 2.024 10 0 AEAEMO CC(C)(C)[N@H+]1CC[C@@H](c2ccon2)C1 616614373 347120969 /nfs/dbraw/zinc/12/09/69/347120969.db2.gz LNKXPPSGTLWNTD-SECBINFHSA-N 1 1 194.278 2.262 10 0 AEAEMO CC(C)(C)[N@H+]1CC[C@@H](C(F)F)C1 616614604 347121075 /nfs/dbraw/zinc/12/10/75/347121075.db2.gz RRQQMDKZXKTBGJ-SSDOTTSWSA-N 1 1 177.238 2.372 10 0 AEAEMO CC[N@H+]1CCCC[C@H]1c1ccno1 616616082 347122826 /nfs/dbraw/zinc/12/28/26/347122826.db2.gz ZKGONXDDTPXIPX-VIFPVBQESA-N 1 1 180.251 2.222 10 0 AEAEMO CC[N@@H+]1CCCC[C@H]1c1ncccn1 616615766 347121547 /nfs/dbraw/zinc/12/15/47/347121547.db2.gz RONHPLIFLCEXPD-JTQLQIEISA-N 1 1 191.278 2.024 10 0 AEAEMO CC[N@H+]1CCCC[C@H]1c1ncccn1 616615766 347121550 /nfs/dbraw/zinc/12/15/50/347121550.db2.gz RONHPLIFLCEXPD-JTQLQIEISA-N 1 1 191.278 2.024 10 0 AEAEMO CC[N@H+]1CCCC[C@H]1c1ncco1 616615724 347121630 /nfs/dbraw/zinc/12/16/30/347121630.db2.gz PEURWASMOQNROV-VIFPVBQESA-N 1 1 180.251 2.222 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@H]1c1cn[nH]c1 616615199 347121645 /nfs/dbraw/zinc/12/16/45/347121645.db2.gz FZCFSWSXVBIYGK-NSHDSACASA-N 1 1 193.294 2.345 10 0 AEAEMO CC[N@H+]1CCCC[C@H]1c1ccnnc1 616615209 347121655 /nfs/dbraw/zinc/12/16/55/347121655.db2.gz GHJQDTZREPYEGX-NSHDSACASA-N 1 1 191.278 2.024 10 0 AEAEMO CC[N@H+]1CCCC[C@H]1c1cnoc1 616615032 347121678 /nfs/dbraw/zinc/12/16/78/347121678.db2.gz ACBRYFBVKFCISB-JTQLQIEISA-N 1 1 180.251 2.222 10 0 AEAEMO CC(C)[N@@H+]1CCCC[C@H]1c1conn1 616615075 347121691 /nfs/dbraw/zinc/12/16/91/347121691.db2.gz BIJZXPLWCMFFCV-JTQLQIEISA-N 1 1 195.266 2.005 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@H]1c1conn1 616615075 347121693 /nfs/dbraw/zinc/12/16/93/347121693.db2.gz BIJZXPLWCMFFCV-JTQLQIEISA-N 1 1 195.266 2.005 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@H]1c1ncc[nH]1 616615064 347121745 /nfs/dbraw/zinc/12/17/45/347121745.db2.gz AVTFFUIDJYBHSD-JTQLQIEISA-N 1 1 193.294 2.345 10 0 AEAEMO CC[N@H+]1CCCC[C@@H]1c1ccno1 616614916 347121863 /nfs/dbraw/zinc/12/18/63/347121863.db2.gz ZKGONXDDTPXIPX-SECBINFHSA-N 1 1 180.251 2.222 10 0 AEAEMO CC[N@H+]1CCCC[C@@H]1c1cncnc1 616614918 347121877 /nfs/dbraw/zinc/12/18/77/347121877.db2.gz ZODJQUXEMROLJY-LLVKDONJSA-N 1 1 191.278 2.024 10 0 AEAEMO CC[N@@H+]1CCCC[C@H]1c1cocn1 616615746 347122138 /nfs/dbraw/zinc/12/21/38/347122138.db2.gz QIRFYTFJLFRYFU-JTQLQIEISA-N 1 1 180.251 2.222 10 0 AEAEMO CC[N@H+]1CCCC[C@H]1c1cocn1 616615746 347122141 /nfs/dbraw/zinc/12/21/41/347122141.db2.gz QIRFYTFJLFRYFU-JTQLQIEISA-N 1 1 180.251 2.222 10 0 AEAEMO CC[N@H+]1CCCC[C@H]1c1ccon1 616615485 347122148 /nfs/dbraw/zinc/12/21/48/347122148.db2.gz NEWRZYLPVWUCQR-JTQLQIEISA-N 1 1 180.251 2.222 10 0 AEAEMO CC[N@H+]1CCCC[C@@H]1c1ccncn1 616614919 347122172 /nfs/dbraw/zinc/12/21/72/347122172.db2.gz ZPRYOLHECBQFHZ-LLVKDONJSA-N 1 1 191.278 2.024 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@@H]1c1c[nH]cn1 616614894 347122193 /nfs/dbraw/zinc/12/21/93/347122193.db2.gz XOLHVSRQJXWXKW-LLVKDONJSA-N 1 1 193.294 2.345 10 0 AEAEMO CC(C)[N@@H+]1CCCC[C@@H]1c1cnc[nH]1 616614894 347122194 /nfs/dbraw/zinc/12/21/94/347122194.db2.gz XOLHVSRQJXWXKW-LLVKDONJSA-N 1 1 193.294 2.345 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@@H]1c1cnc[nH]1 616614894 347122196 /nfs/dbraw/zinc/12/21/96/347122196.db2.gz XOLHVSRQJXWXKW-LLVKDONJSA-N 1 1 193.294 2.345 10 0 AEAEMO CC(C)(C)[N@H+]1CC[C@@H](c2cocn2)C1 616614861 347122220 /nfs/dbraw/zinc/12/22/20/347122220.db2.gz YHLXRYHODIPOSI-SECBINFHSA-N 1 1 194.278 2.262 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@H]1c1cnno1 616615132 347122254 /nfs/dbraw/zinc/12/22/54/347122254.db2.gz DHHZUJGZIVKNAK-VIFPVBQESA-N 1 1 195.266 2.005 10 0 AEAEMO CC[N@H+]1CCCC[C@H]1c1cnco1 616615495 347122283 /nfs/dbraw/zinc/12/22/83/347122283.db2.gz NUEMGFXIHDNPGD-VIFPVBQESA-N 1 1 180.251 2.222 10 0 AEAEMO CO[C@@H]1CCCC[N@H+]1C(C)(C)C 616615371 347122314 /nfs/dbraw/zinc/12/23/14/347122314.db2.gz HWCYRYSRWGPSBP-SECBINFHSA-N 1 1 171.284 2.243 10 0 AEAEMO CC[N@H+]1CCC[C@@H](OC(F)(F)F)C1 616616972 347122760 /nfs/dbraw/zinc/12/27/60/347122760.db2.gz CMWYNSIZAGXBMI-SSDOTTSWSA-N 1 1 197.200 2.007 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@H]1c1c[nH]cn1 616615904 347123002 /nfs/dbraw/zinc/12/30/02/347123002.db2.gz XOLHVSRQJXWXKW-NSHDSACASA-N 1 1 193.294 2.345 10 0 AEAEMO CC(C)[N@@H+]1CCCC[C@H]1c1cnc[nH]1 616615904 347123005 /nfs/dbraw/zinc/12/30/05/347123005.db2.gz XOLHVSRQJXWXKW-NSHDSACASA-N 1 1 193.294 2.345 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@H]1c1cnc[nH]1 616615904 347123009 /nfs/dbraw/zinc/12/30/09/347123009.db2.gz XOLHVSRQJXWXKW-NSHDSACASA-N 1 1 193.294 2.345 10 0 AEAEMO CC[N@H+]1CCCC[C@H]1c1ccncn1 616616085 347123121 /nfs/dbraw/zinc/12/31/21/347123121.db2.gz ZPRYOLHECBQFHZ-NSHDSACASA-N 1 1 191.278 2.024 10 0 AEAEMO CC[N@H+]1CCC[C@H](OC(F)(F)F)C1 616617040 347123136 /nfs/dbraw/zinc/12/31/36/347123136.db2.gz CMWYNSIZAGXBMI-ZETCQYMHSA-N 1 1 197.200 2.007 10 0 AEAEMO CC[N@H+]1CCCC[C@H]1c1cncnc1 616616083 347123153 /nfs/dbraw/zinc/12/31/53/347123153.db2.gz ZODJQUXEMROLJY-NSHDSACASA-N 1 1 191.278 2.024 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H](c2cocn2)C1 616617155 347123909 /nfs/dbraw/zinc/12/39/09/347123909.db2.gz KCIHJXZAELXFLV-SNVBAGLBSA-N 1 1 194.278 2.262 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H](c2cocn2)C1 616617786 347123917 /nfs/dbraw/zinc/12/39/17/347123917.db2.gz KCIHJXZAELXFLV-JTQLQIEISA-N 1 1 194.278 2.262 10 0 AEAEMO CC[N@H+]1CCC[C@H](c2cccnc2)C1 616617120 347124078 /nfs/dbraw/zinc/12/40/78/347124078.db2.gz HRFHQUSJRZGGHG-LBPRGKRZSA-N 1 1 190.290 2.281 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H](c2ccno2)C1 616617455 347124214 /nfs/dbraw/zinc/12/42/14/347124214.db2.gz YGCAZESSPCHZGX-SNVBAGLBSA-N 1 1 194.278 2.262 10 0 AEAEMO CC[N@H+]1CCC[C@@H](c2cccnc2)C1 616617075 347124218 /nfs/dbraw/zinc/12/42/18/347124218.db2.gz HRFHQUSJRZGGHG-GFCCVEGCSA-N 1 1 190.290 2.281 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H](c2ccon2)C1 616617879 347124274 /nfs/dbraw/zinc/12/42/74/347124274.db2.gz MMTVIMWVFFNWFM-JTQLQIEISA-N 1 1 194.278 2.262 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H](c2cnco2)C1 616617968 347124333 /nfs/dbraw/zinc/12/43/33/347124333.db2.gz NTUNPSIWDBSXRN-JTQLQIEISA-N 1 1 194.278 2.262 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H](c2ncco2)C1 616617149 347124358 /nfs/dbraw/zinc/12/43/58/347124358.db2.gz JPMQFGYNGZBVMD-SNVBAGLBSA-N 1 1 194.278 2.262 10 0 AEAEMO CC[N@H+]1CCC[C@@H](c2ccccn2)C1 616617360 347124407 /nfs/dbraw/zinc/12/44/07/347124407.db2.gz TUNAEVQYYIXBBF-LLVKDONJSA-N 1 1 190.290 2.281 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H](c2ncco2)C1 616617760 347124418 /nfs/dbraw/zinc/12/44/18/347124418.db2.gz JPMQFGYNGZBVMD-JTQLQIEISA-N 1 1 194.278 2.262 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H](c2cnco2)C1 616617222 347124498 /nfs/dbraw/zinc/12/44/98/347124498.db2.gz NTUNPSIWDBSXRN-SNVBAGLBSA-N 1 1 194.278 2.262 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H](c2cnoc2)C1 616617394 347124555 /nfs/dbraw/zinc/12/45/55/347124555.db2.gz VNBMSEPJEYTWGO-SNVBAGLBSA-N 1 1 194.278 2.262 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H](c2ccon2)C1 616617189 347124566 /nfs/dbraw/zinc/12/45/66/347124566.db2.gz MMTVIMWVFFNWFM-SNVBAGLBSA-N 1 1 194.278 2.262 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H](c2cnoc2)C1 616618455 347125124 /nfs/dbraw/zinc/12/51/24/347125124.db2.gz VNBMSEPJEYTWGO-JTQLQIEISA-N 1 1 194.278 2.262 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H](c2ccno2)C1 616618517 347125168 /nfs/dbraw/zinc/12/51/68/347125168.db2.gz YGCAZESSPCHZGX-JTQLQIEISA-N 1 1 194.278 2.262 10 0 AEAEMO C[N@H+]1CCCCC[C@H]1c1ccnnc1 616620125 347126055 /nfs/dbraw/zinc/12/60/55/347126055.db2.gz CPZMQRAZOZCFPE-NSHDSACASA-N 1 1 191.278 2.024 10 0 AEAEMO CC[N@H+]1CCCCC[C@H]1c1c[nH]cn1 616620237 347126152 /nfs/dbraw/zinc/12/61/52/347126152.db2.gz DKYMGZRHKLZDBP-NSHDSACASA-N 1 1 193.294 2.347 10 0 AEAEMO CC[N@@H+]1CCCCC[C@H]1c1cnc[nH]1 616620237 347126153 /nfs/dbraw/zinc/12/61/53/347126153.db2.gz DKYMGZRHKLZDBP-NSHDSACASA-N 1 1 193.294 2.347 10 0 AEAEMO CC[N@H+]1CCCCC[C@H]1c1cnc[nH]1 616620237 347126154 /nfs/dbraw/zinc/12/61/54/347126154.db2.gz DKYMGZRHKLZDBP-NSHDSACASA-N 1 1 193.294 2.347 10 0 AEAEMO CC[N@H+]1CCCCC[C@H]1c1cnno1 616621850 347126979 /nfs/dbraw/zinc/12/69/79/347126979.db2.gz PMVOBHCZFLQHHI-VIFPVBQESA-N 1 1 195.266 2.007 10 0 AEAEMO C[N@H+]1CCCCC[C@H]1c1ccon1 616621089 347127244 /nfs/dbraw/zinc/12/72/44/347127244.db2.gz KJMVISIHSUJTKO-JTQLQIEISA-N 1 1 180.251 2.222 10 0 AEAEMO C[N@H+]1CCCCC[C@H]1c1cnoc1 616621745 347127253 /nfs/dbraw/zinc/12/72/53/347127253.db2.gz ORPUSJJSTRQYPA-JTQLQIEISA-N 1 1 180.251 2.222 10 0 AEAEMO C[N@H+]1CCCCC[C@H]1c1ncccn1 616620978 347127467 /nfs/dbraw/zinc/12/74/67/347127467.db2.gz JFBPDNSPADSDQH-JTQLQIEISA-N 1 1 191.278 2.024 10 0 AEAEMO CC[N@H+]1CCCCC[C@H]1c1conn1 616621249 347127475 /nfs/dbraw/zinc/12/74/75/347127475.db2.gz LUFDZCPVZLVFHQ-JTQLQIEISA-N 1 1 195.266 2.007 10 0 AEAEMO CC(=O)[C@@H]1CCCCC[N@@H+]1C(C)C 616620980 347127518 /nfs/dbraw/zinc/12/75/18/347127518.db2.gz JFMABGPWQNZJKQ-NSHDSACASA-N 1 1 183.295 2.228 10 0 AEAEMO C[N@H+]1CCCCC[C@H]1c1cccnn1 616621258 347127658 /nfs/dbraw/zinc/12/76/58/347127658.db2.gz MBUNISMUATTWON-NSHDSACASA-N 1 1 191.278 2.024 10 0 AEAEMO C[N@H+]1CCCCC[C@H]1c1ccncn1 616622201 347127964 /nfs/dbraw/zinc/12/79/64/347127964.db2.gz WIHXEGKMVLKYPL-NSHDSACASA-N 1 1 191.278 2.024 10 0 AEAEMO CC[N@H+]1CCCCC[C@@H]1c1c[nH]cn1 616622537 347127972 /nfs/dbraw/zinc/12/79/72/347127972.db2.gz DKYMGZRHKLZDBP-LLVKDONJSA-N 1 1 193.294 2.347 10 0 AEAEMO CC[N@@H+]1CCCCC[C@@H]1c1cnc[nH]1 616622537 347127974 /nfs/dbraw/zinc/12/79/74/347127974.db2.gz DKYMGZRHKLZDBP-LLVKDONJSA-N 1 1 193.294 2.347 10 0 AEAEMO CC[N@H+]1CCCCC[C@@H]1c1cnc[nH]1 616622537 347127977 /nfs/dbraw/zinc/12/79/77/347127977.db2.gz DKYMGZRHKLZDBP-LLVKDONJSA-N 1 1 193.294 2.347 10 0 AEAEMO C[N@H+]1CCCCC[C@@H]1c1ncccn1 616622861 347127987 /nfs/dbraw/zinc/12/79/87/347127987.db2.gz JFBPDNSPADSDQH-SNVBAGLBSA-N 1 1 191.278 2.024 10 0 AEAEMO C[N@H+]1CCCCC[C@H]1c1ncco1 616622140 347128015 /nfs/dbraw/zinc/12/80/15/347128015.db2.gz UZMXHZRFWYHHRQ-VIFPVBQESA-N 1 1 180.251 2.222 10 0 AEAEMO C[N@H+]1CCCCC[C@@H]1c1cnoc1 616623594 347128076 /nfs/dbraw/zinc/12/80/76/347128076.db2.gz ORPUSJJSTRQYPA-SNVBAGLBSA-N 1 1 180.251 2.222 10 0 AEAEMO C[N@H+]1CCCCC[C@@H]1c1ccon1 616622963 347128087 /nfs/dbraw/zinc/12/80/87/347128087.db2.gz KJMVISIHSUJTKO-SNVBAGLBSA-N 1 1 180.251 2.222 10 0 AEAEMO C[N@H+]1CCCCC[C@H]1c1cnco1 616622260 347128116 /nfs/dbraw/zinc/12/81/16/347128116.db2.gz XBIOKHCVUHPGKK-VIFPVBQESA-N 1 1 180.251 2.222 10 0 AEAEMO CC(C)(C)[N@H+]1CCCCC[C@H]1CCO 616622066 347128133 /nfs/dbraw/zinc/12/81/33/347128133.db2.gz SLOSLBTUDPRLIJ-NSHDSACASA-N 1 1 199.338 2.412 10 0 AEAEMO C[N@H+]1CCCCC[C@@H]1c1cccnn1 616623144 347128153 /nfs/dbraw/zinc/12/81/53/347128153.db2.gz MBUNISMUATTWON-LLVKDONJSA-N 1 1 191.278 2.024 10 0 AEAEMO CC[N@H+]1CCCCC[C@@H]1c1conn1 616623139 347128162 /nfs/dbraw/zinc/12/81/62/347128162.db2.gz LUFDZCPVZLVFHQ-SNVBAGLBSA-N 1 1 195.266 2.007 10 0 AEAEMO CC[N@H+]1CCCCC[C@H]1c1cc[nH]n1 616622455 347128173 /nfs/dbraw/zinc/12/81/73/347128173.db2.gz YSNVQTFLLPRHNY-NSHDSACASA-N 1 1 193.294 2.347 10 0 AEAEMO C[N@H+]1CCCCC[C@H]1c1ccno1 616622068 347128199 /nfs/dbraw/zinc/12/81/99/347128199.db2.gz SMZKRHFQMPMORP-VIFPVBQESA-N 1 1 180.251 2.222 10 0 AEAEMO CC(=O)[C@H]1CCCCC[N@@H+]1C(C)C 616622862 347128251 /nfs/dbraw/zinc/12/82/51/347128251.db2.gz JFMABGPWQNZJKQ-LLVKDONJSA-N 1 1 183.295 2.228 10 0 AEAEMO CC[N@H+]1CCCCC[C@H]1c1ncc[nH]1 616622269 347128283 /nfs/dbraw/zinc/12/82/83/347128283.db2.gz XJSOEFWQRIXUFS-JTQLQIEISA-N 1 1 193.294 2.347 10 0 AEAEMO C[N@H+]1CCCCC[C@H]1c1cncnc1 616622125 347128329 /nfs/dbraw/zinc/12/83/29/347128329.db2.gz UTPJAHFAKJTPRI-NSHDSACASA-N 1 1 191.278 2.024 10 0 AEAEMO CC[N@H+]1CCCCC[C@@H]1c1cnno1 616623636 347128405 /nfs/dbraw/zinc/12/84/05/347128405.db2.gz PMVOBHCZFLQHHI-SECBINFHSA-N 1 1 195.266 2.007 10 0 AEAEMO C[N@@H+]1CCCCC[C@@H]1C(F)F 616622600 347128449 /nfs/dbraw/zinc/12/84/49/347128449.db2.gz FXXVNGGJZWHZLH-SSDOTTSWSA-N 1 1 163.211 2.126 10 0 AEAEMO C[N@H+]1CCCCC[C@@H]1C(F)F 616622600 347128452 /nfs/dbraw/zinc/12/84/52/347128452.db2.gz FXXVNGGJZWHZLH-SSDOTTSWSA-N 1 1 163.211 2.126 10 0 AEAEMO CC[N@H+]1CCCCC[C@H]1c1cn[nH]c1 616622249 347128520 /nfs/dbraw/zinc/12/85/20/347128520.db2.gz WUTVGJOPYZAJAG-NSHDSACASA-N 1 1 193.294 2.347 10 0 AEAEMO C[N@H+]1CCCCC[C@H]1c1cocn1 616622127 347128525 /nfs/dbraw/zinc/12/85/25/347128525.db2.gz UVDRLWLCVNIGQK-JTQLQIEISA-N 1 1 180.251 2.222 10 0 AEAEMO C[N@H+]1CCCCC[C@@H]1c1ccnnc1 616622497 347128537 /nfs/dbraw/zinc/12/85/37/347128537.db2.gz CPZMQRAZOZCFPE-LLVKDONJSA-N 1 1 191.278 2.024 10 0 AEAEMO CO[C@@H]1CCCCC[N@H+]1C(C)C 616622116 347128632 /nfs/dbraw/zinc/12/86/32/347128632.db2.gz UICQABVWFHKBHQ-SNVBAGLBSA-N 1 1 171.284 2.243 10 0 AEAEMO C[N@H+]1CCCCC[C@@H]1c1cncnc1 616624019 347128950 /nfs/dbraw/zinc/12/89/50/347128950.db2.gz UTPJAHFAKJTPRI-LLVKDONJSA-N 1 1 191.278 2.024 10 0 AEAEMO CC[N@H+]1CCCCC[C@@H]1c1cn[nH]c1 616624107 347129057 /nfs/dbraw/zinc/12/90/57/347129057.db2.gz WUTVGJOPYZAJAG-LLVKDONJSA-N 1 1 193.294 2.347 10 0 AEAEMO C[N@H+]1CCCCC[C@@H]1c1ccno1 616623742 347129122 /nfs/dbraw/zinc/12/91/22/347129122.db2.gz SMZKRHFQMPMORP-SECBINFHSA-N 1 1 180.251 2.222 10 0 AEAEMO C[N@H+]1CCCCC[C@@H]1c1cocn1 616624022 347129131 /nfs/dbraw/zinc/12/91/31/347129131.db2.gz UVDRLWLCVNIGQK-SNVBAGLBSA-N 1 1 180.251 2.222 10 0 AEAEMO C[N@H+]1CCCCC[C@@H]1c1ccncn1 616624071 347129188 /nfs/dbraw/zinc/12/91/88/347129188.db2.gz WIHXEGKMVLKYPL-LLVKDONJSA-N 1 1 191.278 2.024 10 0 AEAEMO CC[N@H+]1CCCCC[C@@H]1c1ncc[nH]1 616624134 347129211 /nfs/dbraw/zinc/12/92/11/347129211.db2.gz XJSOEFWQRIXUFS-SNVBAGLBSA-N 1 1 193.294 2.347 10 0 AEAEMO CO[C@H]1CCCCC[N@H+]1C(C)C 616624010 347129247 /nfs/dbraw/zinc/12/92/47/347129247.db2.gz UICQABVWFHKBHQ-JTQLQIEISA-N 1 1 171.284 2.243 10 0 AEAEMO C[N@H+]1CCCCC[C@@H]1c1cnco1 616624118 347129355 /nfs/dbraw/zinc/12/93/55/347129355.db2.gz XBIOKHCVUHPGKK-SECBINFHSA-N 1 1 180.251 2.222 10 0 AEAEMO CC(C)(C)[N@H+]1CCCCC[C@@H]1CCO 616623738 347129390 /nfs/dbraw/zinc/12/93/90/347129390.db2.gz SLOSLBTUDPRLIJ-LLVKDONJSA-N 1 1 199.338 2.412 10 0 AEAEMO CC[N@H+]1CCCCC[C@@H]1c1cc[nH]n1 616624342 347129447 /nfs/dbraw/zinc/12/94/47/347129447.db2.gz YSNVQTFLLPRHNY-LLVKDONJSA-N 1 1 193.294 2.347 10 0 AEAEMO C[N@H+]1CCCCC[C@@H]1c1ncco1 616624035 347129476 /nfs/dbraw/zinc/12/94/76/347129476.db2.gz UZMXHZRFWYHHRQ-SECBINFHSA-N 1 1 180.251 2.222 10 0 AEAEMO C[N@H+]1CCC[C@H](OC(F)(F)F)CC1 616626926 347129895 /nfs/dbraw/zinc/12/98/95/347129895.db2.gz FLBRFCRJROBKOU-ZETCQYMHSA-N 1 1 197.200 2.007 10 0 AEAEMO CC[N@H+]1CCC[C@H](c2ncco2)CC1 616627648 347130010 /nfs/dbraw/zinc/13/00/10/347130010.db2.gz JYXBLTSSXVTIIW-JTQLQIEISA-N 1 1 194.278 2.264 10 0 AEAEMO CC(C)(C)[N@H+]1CCC[C@H](CCO)CC1 616627770 347130150 /nfs/dbraw/zinc/13/01/50/347130150.db2.gz NEWHGPPFZGNPDB-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CO[C@H]1CCC[N@H+](C(C)(C)C)CC1 616627602 347130226 /nfs/dbraw/zinc/13/02/26/347130226.db2.gz ILLUIQPGUGHXNO-JTQLQIEISA-N 1 1 185.311 2.286 10 0 AEAEMO CC[N@H+]1CCC[C@H](c2ccno2)CC1 616626771 347130309 /nfs/dbraw/zinc/13/03/09/347130309.db2.gz BCKMXXWVZGRGSZ-JTQLQIEISA-N 1 1 194.278 2.264 10 0 AEAEMO CC(=O)[C@H]1CCC[N@H+](C(C)(C)C)CC1 616630097 347130782 /nfs/dbraw/zinc/13/07/82/347130782.db2.gz WAPHXEZMZMFPJU-NSHDSACASA-N 1 1 197.322 2.476 10 0 AEAEMO CC[N@H+]1CCC[C@H](c2cocn2)CC1 616628983 347130785 /nfs/dbraw/zinc/13/07/85/347130785.db2.gz RUNTZBXIGWXBGL-JTQLQIEISA-N 1 1 194.278 2.264 10 0 AEAEMO C[N@H+]1CCC[C@H](c2cccnc2)CC1 616629002 347130838 /nfs/dbraw/zinc/13/08/38/347130838.db2.gz SCCFIWUDCAQKSR-NSHDSACASA-N 1 1 190.290 2.281 10 0 AEAEMO C[N@H+]1CCC[C@H](C(F)(F)F)CC1 616628764 347130850 /nfs/dbraw/zinc/13/08/50/347130850.db2.gz OMFWZZATQRIJBT-ZETCQYMHSA-N 1 1 181.201 2.281 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H](F)CC1 616629148 347130992 /nfs/dbraw/zinc/13/09/92/347130992.db2.gz SKJIEHCZXJQPAN-SECBINFHSA-N 1 1 159.248 2.219 10 0 AEAEMO C[N@H+]1CCCC[C@H](OC(F)(F)F)C1 616629111 347131046 /nfs/dbraw/zinc/13/10/46/347131046.db2.gz OTIUFMYZKFLVSO-ZETCQYMHSA-N 1 1 197.200 2.007 10 0 AEAEMO CC[N@H+]1CCC[C@H](c2ccon2)CC1 616630160 347131639 /nfs/dbraw/zinc/13/16/39/347131639.db2.gz XJQOQHABVVRJBC-JTQLQIEISA-N 1 1 194.278 2.264 10 0 AEAEMO C[N@H+]1CCC[C@H](c2ccncc2)CC1 616630164 347131944 /nfs/dbraw/zinc/13/19/44/347131944.db2.gz XKWGIHLHUHAEHB-NSHDSACASA-N 1 1 190.290 2.281 10 0 AEAEMO CC(C)(C)[C@@H]1CCCC[N@@H+](CCN)C1 616630960 347132146 /nfs/dbraw/zinc/13/21/46/347132146.db2.gz WLSLAEQHQAROCF-LLVKDONJSA-N 1 1 198.354 2.093 10 0 AEAEMO CC(C)[C@H]1C[N@H+](C(C)(C)C)CCO1 616644649 347144649 /nfs/dbraw/zinc/14/46/49/347144649.db2.gz GSKGCVPWXUBTCE-SNVBAGLBSA-N 1 1 185.311 2.142 10 0 AEAEMO CC(C)[C@@H]1C[N@H+](C(C)(C)C)CCO1 616645664 347145668 /nfs/dbraw/zinc/14/56/68/347145668.db2.gz GSKGCVPWXUBTCE-JTQLQIEISA-N 1 1 185.311 2.142 10 0 AEAEMO CC[C@H]1COCCC[N@H+]1C(C)(C)C 616646028 347146486 /nfs/dbraw/zinc/14/64/86/347146486.db2.gz NBFYYBGLEWSZRM-JTQLQIEISA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@@H]1C[N@H+](C(C)(C)C)CCCO1 616648841 347148668 /nfs/dbraw/zinc/14/86/68/347148668.db2.gz DZOJPLJONLJTHM-SNVBAGLBSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[N@H+]1CCCO[C@H](C(C)(C)C)C1 616649382 347149589 /nfs/dbraw/zinc/14/95/89/347149589.db2.gz HCXQKHGOXZGFHJ-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO CC(C)[C@@H]1COCCC[N@H+]1C(C)C 616649967 347150505 /nfs/dbraw/zinc/15/05/05/347150505.db2.gz RQLKAEKOSSKQNV-NSHDSACASA-N 1 1 185.311 2.142 10 0 AEAEMO CC[C@H]1C[N@H+](C(C)(C)C)CCCO1 616652209 347152445 /nfs/dbraw/zinc/15/24/45/347152445.db2.gz DZOJPLJONLJTHM-JTQLQIEISA-N 1 1 185.311 2.286 10 0 AEAEMO CC(C)(C)[N@H+]1CCCC[C@@H](CCO)C1 616652034 347152506 /nfs/dbraw/zinc/15/25/06/347152506.db2.gz CUISNIUOFOOZOH-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CC(=O)[C@@H]1CCCC[N@H+](C(C)C)C1 616651953 347152854 /nfs/dbraw/zinc/15/28/54/347152854.db2.gz BSLMGDNRIUQURJ-LLVKDONJSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[N@H+]1CCCO[C@@H](C(C)(C)C)C1 616652586 347153511 /nfs/dbraw/zinc/15/35/11/347153511.db2.gz HCXQKHGOXZGFHJ-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[N@H+]1CCCC[C@@H](C(F)F)C1 616654030 347154466 /nfs/dbraw/zinc/15/44/66/347154466.db2.gz JSRYFGNIHAVWMZ-MRVPVSSYSA-N 1 1 177.238 2.374 10 0 AEAEMO CC[N@H+]1CCCC[C@@H](c2cnco2)C1 616654028 347154473 /nfs/dbraw/zinc/15/44/73/347154473.db2.gz JSPCXTJJHUEDON-SNVBAGLBSA-N 1 1 194.278 2.264 10 0 AEAEMO CN(C)[C@@H]1CCCC[N@H+](C(C)(C)C)C1 616654024 347154856 /nfs/dbraw/zinc/15/48/56/347154856.db2.gz JMNMRZNRHRCTLC-LLVKDONJSA-N 1 1 198.354 2.201 10 0 AEAEMO CC[N@H+]1CCCC[C@@H](c2ccon2)C1 616654905 347155385 /nfs/dbraw/zinc/15/53/85/347155385.db2.gz RUERYRNMDWUGJE-SNVBAGLBSA-N 1 1 194.278 2.264 10 0 AEAEMO CC[N@H+]1CCCC[C@@H](c2cocn2)C1 616654820 347155534 /nfs/dbraw/zinc/15/55/34/347155534.db2.gz NKCRNKJDZWNNLM-SNVBAGLBSA-N 1 1 194.278 2.264 10 0 AEAEMO C[N@H+]1CCCC[C@@H](OC(F)(F)F)C1 616654843 347155554 /nfs/dbraw/zinc/15/55/54/347155554.db2.gz OTIUFMYZKFLVSO-SSDOTTSWSA-N 1 1 197.200 2.007 10 0 AEAEMO CO[C@@H]1CCCC[N@H+](C(C)(C)C)C1 616654822 347155827 /nfs/dbraw/zinc/15/58/27/347155827.db2.gz NNRAIIHMAWEKSJ-SNVBAGLBSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[N@H+]1CCCC[C@@H](c2cnoc2)C1 616654886 347155897 /nfs/dbraw/zinc/15/58/97/347155897.db2.gz QYFMNNPLICYETK-SNVBAGLBSA-N 1 1 194.278 2.264 10 0 AEAEMO CC[N@H+]1CCCC[C@@H](c2ncco2)C1 616654852 347155933 /nfs/dbraw/zinc/15/59/33/347155933.db2.gz PLQLCVKZMXHXIP-SNVBAGLBSA-N 1 1 194.278 2.264 10 0 AEAEMO CC(C)(C)[C@@H]1CCCC[N@@H+](CCO)C1 616654847 347155963 /nfs/dbraw/zinc/15/59/63/347155963.db2.gz PBDVYQGCDGSAOW-LLVKDONJSA-N 1 1 199.338 2.127 10 0 AEAEMO CC(=O)[C@@H]1CCCC[N@H+](C(C)(C)C)C1 616656372 347156423 /nfs/dbraw/zinc/15/64/23/347156423.db2.gz WKPCBGGWZMUDAU-LLVKDONJSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@@H]1CCOCC[N@H+]1C(C)(C)C 616655839 347156431 /nfs/dbraw/zinc/15/64/31/347156431.db2.gz FCUDSDKJAQWWES-SNVBAGLBSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[N@H+]1CCCC[C@@H](c2ccno2)C1 616657122 347157807 /nfs/dbraw/zinc/15/78/07/347157807.db2.gz YOUIZHKDNDAEBP-SNVBAGLBSA-N 1 1 194.278 2.264 10 0 AEAEMO CC[N@H+]1CCOC[C@H](C(C)(C)C)C1 616658346 347158760 /nfs/dbraw/zinc/15/87/60/347158760.db2.gz DFAWPJXYBDSFTO-SNVBAGLBSA-N 1 1 185.311 2.001 10 0 AEAEMO CC(C)[C@H]1COCC[N@H+](C(C)(C)C)C1 616659056 347160087 /nfs/dbraw/zinc/16/00/87/347160087.db2.gz GOMQUYBMADSRKJ-LLVKDONJSA-N 1 1 199.338 2.389 10 0 AEAEMO CC[N@H+]1CCOC[C@@H](C(C)(C)C)C1 616659692 347160548 /nfs/dbraw/zinc/16/05/48/347160548.db2.gz DFAWPJXYBDSFTO-JTQLQIEISA-N 1 1 185.311 2.001 10 0 AEAEMO CC(C)[C@@H]1COCC[N@H+](C(C)(C)C)C1 616659921 347160626 /nfs/dbraw/zinc/16/06/26/347160626.db2.gz GOMQUYBMADSRKJ-NSHDSACASA-N 1 1 199.338 2.389 10 0 AEAEMO CC(C)[N@H+]1CCOC[C@H](C(C)(C)C)C1 616660503 347161006 /nfs/dbraw/zinc/16/10/06/347161006.db2.gz NKKOCOSUIWWKLR-LLVKDONJSA-N 1 1 199.338 2.389 10 0 AEAEMO CC(C)[N@H+]1CCOC[C@@H](C(C)(C)C)C1 616661233 347161846 /nfs/dbraw/zinc/16/18/46/347161846.db2.gz NKKOCOSUIWWKLR-NSHDSACASA-N 1 1 199.338 2.389 10 0 AEAEMO CC[C@H]1COCC[N@H+](C(C)(C)C)C1 616661487 347162775 /nfs/dbraw/zinc/16/27/75/347162775.db2.gz SYMVHWGSUKRFCS-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@@H]1COCC[N@H+](C(C)(C)C)C1 616661495 347162795 /nfs/dbraw/zinc/16/27/95/347162795.db2.gz SYMVHWGSUKRFCS-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO c1ccc2c(c1)C[C@H](c1[nH]cc[nH+]1)CN2 616667596 347165488 /nfs/dbraw/zinc/16/54/88/347165488.db2.gz AQVRQMFEBVSYDU-JTQLQIEISA-N 1 1 199.257 2.162 10 0 AEAEMO CC[N@H+]1CCO[C@@H](C(C)(C)C)CC1 616666422 347165824 /nfs/dbraw/zinc/16/58/24/347165824.db2.gz ROHSCKRFPQANQV-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO c1ccc2c(c1)C[C@@H](c1[nH]cc[nH+]1)CN2 616668417 347165855 /nfs/dbraw/zinc/16/58/55/347165855.db2.gz AQVRQMFEBVSYDU-SNVBAGLBSA-N 1 1 199.257 2.162 10 0 AEAEMO CC[N@@H+]1CCc2ccccc2[C@@H]1OC 616677810 347167559 /nfs/dbraw/zinc/16/75/59/347167559.db2.gz WSUYMKYYUYYUCP-LBPRGKRZSA-N 1 1 191.274 2.210 10 0 AEAEMO CC[N@H+]1CCc2ccccc2[C@@H]1OC 616677810 347167562 /nfs/dbraw/zinc/16/75/62/347167562.db2.gz WSUYMKYYUYYUCP-LBPRGKRZSA-N 1 1 191.274 2.210 10 0 AEAEMO CC[C@@H]1CC[N@H+](C(C)(C)C)CCO1 616684163 347168392 /nfs/dbraw/zinc/16/83/92/347168392.db2.gz FFBNENZCMREEPO-SNVBAGLBSA-N 1 1 185.311 2.286 10 0 AEAEMO CC(C)[C@@H]1CC[N@H+](C(C)C)CCO1 616686951 347168793 /nfs/dbraw/zinc/16/87/93/347168793.db2.gz MQXVBGDFRPBAIE-NSHDSACASA-N 1 1 185.311 2.142 10 0 AEAEMO COCCC[N@@H+](C)Cc1ccoc1C 618986924 347196233 /nfs/dbraw/zinc/19/62/33/347196233.db2.gz AQUHYIMRSBSUNU-UHFFFAOYSA-N 1 1 197.278 2.056 10 0 AEAEMO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H]2C)ccn1 621298209 347225634 /nfs/dbraw/zinc/22/56/34/347225634.db2.gz MZIZEHTURWFXIL-MWLCHTKSSA-N 1 1 190.290 2.230 10 0 AEAEMO Cc1cc(C[N@@H+]2C[C@H](C)[C@@H]2C)ccn1 621298210 347225909 /nfs/dbraw/zinc/22/59/09/347225909.db2.gz MZIZEHTURWFXIL-ONGXEEELSA-N 1 1 190.290 2.230 10 0 AEAEMO Cc1cc(C[N@@H+]2C[C@H](C)[C@H]2C)ccn1 621298207 347225975 /nfs/dbraw/zinc/22/59/75/347225975.db2.gz MZIZEHTURWFXIL-GXSJLCMTSA-N 1 1 190.290 2.230 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](CO)C1 621373000 347227718 /nfs/dbraw/zinc/22/77/18/347227718.db2.gz ADJRSIPSUQGTPT-SDDRHHMPSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](CO)C1 621373002 347227790 /nfs/dbraw/zinc/22/77/90/347227790.db2.gz ADJRSIPSUQGTPT-WOPDTQHZSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](CO)C1 621372999 347227889 /nfs/dbraw/zinc/22/78/89/347227889.db2.gz ADJRSIPSUQGTPT-GRYCIOLGSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@H](C)[C@H](CO)C1 621373001 347227914 /nfs/dbraw/zinc/22/79/14/347227914.db2.gz ADJRSIPSUQGTPT-SRVKXCTJSA-N 1 1 199.338 2.125 10 0 AEAEMO CCOCC[N@@H+](C)[C@@H](C)c1ccco1 621730738 347231778 /nfs/dbraw/zinc/23/17/78/347231778.db2.gz BOQFAIHTBFDBGH-JTQLQIEISA-N 1 1 197.278 2.309 10 0 AEAEMO CC(C)(C)C[C@@H]1CCC[N@H+]1CCCO 622261009 347240984 /nfs/dbraw/zinc/24/09/84/347240984.db2.gz ZYISPQRIYNSTMV-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)(C)C[C@H]1CCC[N@H+]1CCCO 622261008 347241172 /nfs/dbraw/zinc/24/11/72/347241172.db2.gz ZYISPQRIYNSTMV-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CN1CC[C@H]([NH2+]C2CCC2)CC1(C)C 623409440 347256785 /nfs/dbraw/zinc/25/67/85/347256785.db2.gz BLROQBVINBAPAU-NSHDSACASA-N 1 1 196.338 2.001 10 0 AEAEMO CN1CC[C@@H]([NH2+]C2CCC2)CC1(C)C 623409439 347257014 /nfs/dbraw/zinc/25/70/14/347257014.db2.gz BLROQBVINBAPAU-LLVKDONJSA-N 1 1 196.338 2.001 10 0 AEAEMO C/C=C\C[NH2+][C@@H]1CCN(C)C(C)(C)C1 623740178 347262407 /nfs/dbraw/zinc/26/24/07/347262407.db2.gz OHSZSIZHCAFTTI-ISALQUGTSA-N 1 1 196.338 2.025 10 0 AEAEMO C/C=C/C[NH2+][C@@H]1CCN(C)C(C)(C)C1 623740179 347262581 /nfs/dbraw/zinc/26/25/81/347262581.db2.gz OHSZSIZHCAFTTI-MVIFTORASA-N 1 1 196.338 2.025 10 0 AEAEMO C/C=C\C[NH2+][C@H]1CCN(C)C(C)(C)C1 623740177 347262719 /nfs/dbraw/zinc/26/27/19/347262719.db2.gz OHSZSIZHCAFTTI-GZTOBOFZSA-N 1 1 196.338 2.025 10 0 AEAEMO C/C=C/C[NH2+][C@H]1CCN(C)C(C)(C)C1 623740180 347262798 /nfs/dbraw/zinc/26/27/98/347262798.db2.gz OHSZSIZHCAFTTI-QRGHLMKCSA-N 1 1 196.338 2.025 10 0 AEAEMO CCC(F)(F)C[NH2+][C@@H]1CCSC1 624146813 347270719 /nfs/dbraw/zinc/27/07/19/347270719.db2.gz KVKFKMRCSXULKO-SSDOTTSWSA-N 1 1 195.278 2.127 10 0 AEAEMO CCC(F)(F)C[NH2+][C@H](C)[C@@H](C)OC 624148042 347270733 /nfs/dbraw/zinc/27/07/33/347270733.db2.gz SVTRRLZBEFSWPM-HTQZYQBOSA-N 1 1 195.253 2.045 10 0 AEAEMO CCC(F)(F)C[NH2+][C@@H](C)[C@@H](C)OC 624148043 347270992 /nfs/dbraw/zinc/27/09/92/347270992.db2.gz SVTRRLZBEFSWPM-JGVFFNPUSA-N 1 1 195.253 2.045 10 0 AEAEMO CC[C@@H](COC)[NH2+]CC(F)(F)CC 624147739 347270819 /nfs/dbraw/zinc/27/08/19/347270819.db2.gz JQLZRXGOHBHBOD-QMMMGPOBSA-N 1 1 195.253 2.046 10 0 AEAEMO CCC(F)(F)C[NH2+][C@H](C)[C@H](C)OC 624148044 347270843 /nfs/dbraw/zinc/27/08/43/347270843.db2.gz SVTRRLZBEFSWPM-SFYZADRCSA-N 1 1 195.253 2.045 10 0 AEAEMO CCC(F)(F)C[NH2+]C1CC(C)C1 624148915 347271063 /nfs/dbraw/zinc/27/10/63/347271063.db2.gz RDJCIRHMAJQSPG-UHFFFAOYSA-N 1 1 177.238 2.420 10 0 AEAEMO CCC(F)(F)C[NH2+][C@H]1CCSC1 624146814 347271227 /nfs/dbraw/zinc/27/12/27/347271227.db2.gz KVKFKMRCSXULKO-ZETCQYMHSA-N 1 1 195.278 2.127 10 0 AEAEMO CCOC[C@H](C)[NH2+]CC(F)(F)CC 624147815 347271303 /nfs/dbraw/zinc/27/13/03/347271303.db2.gz LSOMZRQSGQNJLL-QMMMGPOBSA-N 1 1 195.253 2.046 10 0 AEAEMO CC[C@H](COC)[NH2+]CC(F)(F)CC 624147738 347271315 /nfs/dbraw/zinc/27/13/15/347271315.db2.gz JQLZRXGOHBHBOD-MRVPVSSYSA-N 1 1 195.253 2.046 10 0 AEAEMO CCOC[C@@H](C)[NH2+]CC(F)(F)CC 624147814 347271334 /nfs/dbraw/zinc/27/13/34/347271334.db2.gz LSOMZRQSGQNJLL-MRVPVSSYSA-N 1 1 195.253 2.046 10 0 AEAEMO CCC(F)(F)C[NH2+][C@@H](C)[C@H](C)OC 624148045 347271355 /nfs/dbraw/zinc/27/13/55/347271355.db2.gz SVTRRLZBEFSWPM-YUMQZZPRSA-N 1 1 195.253 2.045 10 0 AEAEMO CC[N@H+]1CCOc2ccccc2[C@@H]1C 624492062 347279066 /nfs/dbraw/zinc/27/90/66/347279066.db2.gz XYDYWYSWCUSBCM-JTQLQIEISA-N 1 1 191.274 2.462 10 0 AEAEMO CC[N@H+]1CCOc2ccccc2[C@H]1C 624492063 347279297 /nfs/dbraw/zinc/27/92/97/347279297.db2.gz XYDYWYSWCUSBCM-SNVBAGLBSA-N 1 1 191.274 2.462 10 0 AEAEMO CCC[C@H](C)CCC[N@@H+](C)CCO 625087182 347282534 /nfs/dbraw/zinc/28/25/34/347282534.db2.gz RROBCBQPXLZHKS-NSHDSACASA-N 1 1 187.327 2.127 10 0 AEAEMO CCC[C@@H](C)CCC[N@@H+](C)CCO 625087177 347282545 /nfs/dbraw/zinc/28/25/45/347282545.db2.gz RROBCBQPXLZHKS-LLVKDONJSA-N 1 1 187.327 2.127 10 0 AEAEMO CCC[N@@H+](C)C[C@H](OCC)C1CC1 625119665 347282832 /nfs/dbraw/zinc/28/28/32/347282832.db2.gz ZPXUFFMTDAZMNH-NSHDSACASA-N 1 1 185.311 2.143 10 0 AEAEMO CCO[C@@H](C[N@@H+](CC)C1CC1)C1CC1 625076301 347282859 /nfs/dbraw/zinc/28/28/59/347282859.db2.gz FSWSZTAFKGDLDU-LBPRGKRZSA-N 1 1 197.322 2.286 10 0 AEAEMO CCO[C@H](C[N@H+]1CC[C@@H](C)C1)C1CC1 625126447 347283821 /nfs/dbraw/zinc/28/38/21/347283821.db2.gz CRDHHDCKAMHJGG-ZYHUDNBSSA-N 1 1 197.322 2.143 10 0 AEAEMO CCC[N@@H+](C)C[C@@H](OCC)C1CC1 625119663 347282952 /nfs/dbraw/zinc/28/29/52/347282952.db2.gz ZPXUFFMTDAZMNH-LLVKDONJSA-N 1 1 185.311 2.143 10 0 AEAEMO COCCC[N@@H+](C)CC1CC(C)(C)C1 625103897 347282986 /nfs/dbraw/zinc/28/29/86/347282986.db2.gz FLFBSNJKOCMIBW-UHFFFAOYSA-N 1 1 199.338 2.391 10 0 AEAEMO CCO[C@H](C[N@@H+](C)CC(C)C)C1CC1 625109004 347283021 /nfs/dbraw/zinc/28/30/21/347283021.db2.gz LDHDSXZVNWFJDY-GFCCVEGCSA-N 1 1 199.338 2.389 10 0 AEAEMO CCO[C@@H](C[N@@H+](C)CC(C)C)C1CC1 625109006 347283068 /nfs/dbraw/zinc/28/30/68/347283068.db2.gz LDHDSXZVNWFJDY-LBPRGKRZSA-N 1 1 199.338 2.389 10 0 AEAEMO CCO[C@H](C[N@@H+](C)CC1CC1)C1CC1 625088790 347283136 /nfs/dbraw/zinc/28/31/36/347283136.db2.gz GDFZIDLJYVZTJS-GFCCVEGCSA-N 1 1 197.322 2.143 10 0 AEAEMO CCO[C@H](C[N@@H+](CC)C1CC1)C1CC1 625076300 347283142 /nfs/dbraw/zinc/28/31/42/347283142.db2.gz FSWSZTAFKGDLDU-GFCCVEGCSA-N 1 1 197.322 2.286 10 0 AEAEMO CCO[C@@H](C[N@@H+](C)CC1CC1)C1CC1 625088791 347283203 /nfs/dbraw/zinc/28/32/03/347283203.db2.gz GDFZIDLJYVZTJS-LBPRGKRZSA-N 1 1 197.322 2.143 10 0 AEAEMO CCO[C@H](C[N@H+]1CC[C@H](C)C1)C1CC1 625126439 347283561 /nfs/dbraw/zinc/28/35/61/347283561.db2.gz CRDHHDCKAMHJGG-CMPLNLGQSA-N 1 1 197.322 2.143 10 0 AEAEMO CCO[C@@H](C[N@H+]1CC[C@H](C)C1)C1CC1 625126442 347283635 /nfs/dbraw/zinc/28/36/35/347283635.db2.gz CRDHHDCKAMHJGG-JQWIXIFHSA-N 1 1 197.322 2.143 10 0 AEAEMO CCO[C@@H](C[N@@H+](C)C1CCC1)C1CC1 625191719 347283832 /nfs/dbraw/zinc/28/38/32/347283832.db2.gz SAIJYYXKEZBUHJ-LBPRGKRZSA-N 1 1 197.322 2.286 10 0 AEAEMO Cc1[nH+]cn(C[C@@H]2C[C@H]2C)c1C 625172684 347283841 /nfs/dbraw/zinc/28/38/41/347283841.db2.gz XDYUFCKEMITDKT-XCBNKYQSSA-N 1 1 164.252 2.156 10 0 AEAEMO CCO[C@@H](C[N@H+]1CC[C@@H](C)C1)C1CC1 625126444 347283853 /nfs/dbraw/zinc/28/38/53/347283853.db2.gz CRDHHDCKAMHJGG-PWSUYJOCSA-N 1 1 197.322 2.143 10 0 AEAEMO CCO[C@H](C[N@@H+](C)C1CCC1)C1CC1 625191718 347283859 /nfs/dbraw/zinc/28/38/59/347283859.db2.gz SAIJYYXKEZBUHJ-GFCCVEGCSA-N 1 1 197.322 2.286 10 0 AEAEMO Cc1[nH+]cn(C[C@@H]2C[C@@H]2C)c1C 625172685 347283931 /nfs/dbraw/zinc/28/39/31/347283931.db2.gz XDYUFCKEMITDKT-XVKPBYJWSA-N 1 1 164.252 2.156 10 0 AEAEMO Cc1[nH+]cn(C[C@H]2C[C@H]2C)c1C 625172677 347283936 /nfs/dbraw/zinc/28/39/36/347283936.db2.gz XDYUFCKEMITDKT-GMSGAONNSA-N 1 1 164.252 2.156 10 0 AEAEMO Cc1[nH+]cn(C[C@H]2C[C@@H]2C)c1C 625172683 347283963 /nfs/dbraw/zinc/28/39/63/347283963.db2.gz XDYUFCKEMITDKT-OIBJUYFYSA-N 1 1 164.252 2.156 10 0 AEAEMO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H]1C(F)F 625274668 347284367 /nfs/dbraw/zinc/28/43/67/347284367.db2.gz DWXWWSCRBCMBHU-HLTSFMKQSA-N 1 1 189.249 2.372 10 0 AEAEMO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H]1C(F)F 625274668 347284369 /nfs/dbraw/zinc/28/43/69/347284369.db2.gz DWXWWSCRBCMBHU-HLTSFMKQSA-N 1 1 189.249 2.372 10 0 AEAEMO CCO[C@H](C[N@H+]1CCC[C@H]1C)C1CC1 625204407 347284431 /nfs/dbraw/zinc/28/44/31/347284431.db2.gz NGDWXNGAUHOTRW-ZYHUDNBSSA-N 1 1 197.322 2.286 10 0 AEAEMO CCO[C@@H](C[N@@H+]1CC=CCC1)C1CC1 625310429 347284503 /nfs/dbraw/zinc/28/45/03/347284503.db2.gz SFCPSBJQHDZBRF-LBPRGKRZSA-N 1 1 195.306 2.063 10 0 AEAEMO C[C@H]1C[C@@H]1C[N@@H+]1CCC[C@H]1C(F)F 625274672 347284532 /nfs/dbraw/zinc/28/45/32/347284532.db2.gz DWXWWSCRBCMBHU-YIZRAAEISA-N 1 1 189.249 2.372 10 0 AEAEMO C[C@H]1C[C@@H]1C[N@H+]1CCC[C@H]1C(F)F 625274672 347284534 /nfs/dbraw/zinc/28/45/34/347284534.db2.gz DWXWWSCRBCMBHU-YIZRAAEISA-N 1 1 189.249 2.372 10 0 AEAEMO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](C(F)F)C1 625274908 347284540 /nfs/dbraw/zinc/28/45/40/347284540.db2.gz NRBZZIRWTMXQDE-IWSPIJDZSA-N 1 1 189.249 2.229 10 0 AEAEMO CCO[C@@H](Cn1cc[nH+]c1C)C1CC1 625270572 347284584 /nfs/dbraw/zinc/28/45/84/347284584.db2.gz RROYJIKULFSWKF-NSHDSACASA-N 1 1 194.278 2.007 10 0 AEAEMO C[C@H]1C[C@H]1C[N@@H+]1CCC[C@H]1C(F)F 625274667 347284639 /nfs/dbraw/zinc/28/46/39/347284639.db2.gz DWXWWSCRBCMBHU-CIUDSAMLSA-N 1 1 189.249 2.372 10 0 AEAEMO C[C@H]1C[C@H]1C[N@H+]1CCC[C@H]1C(F)F 625274667 347284640 /nfs/dbraw/zinc/28/46/40/347284640.db2.gz DWXWWSCRBCMBHU-CIUDSAMLSA-N 1 1 189.249 2.372 10 0 AEAEMO CCO[C@H](C[N@H+]1CCC[C@@H]1C)C1CC1 625204404 347284664 /nfs/dbraw/zinc/28/46/64/347284664.db2.gz NGDWXNGAUHOTRW-CMPLNLGQSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H]1C(F)F 625274670 347284674 /nfs/dbraw/zinc/28/46/74/347284674.db2.gz DWXWWSCRBCMBHU-VGMNWLOBSA-N 1 1 189.249 2.372 10 0 AEAEMO C[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]1C(F)F 625274670 347284677 /nfs/dbraw/zinc/28/46/77/347284677.db2.gz DWXWWSCRBCMBHU-VGMNWLOBSA-N 1 1 189.249 2.372 10 0 AEAEMO CCO[C@@H](C[N@H+]1CCC[C@H]1C)C1CC1 625204406 347284681 /nfs/dbraw/zinc/28/46/81/347284681.db2.gz NGDWXNGAUHOTRW-PWSUYJOCSA-N 1 1 197.322 2.286 10 0 AEAEMO CCO[C@@H](C[N@H+]1CCC[C@@H]1C)C1CC1 625204405 347284693 /nfs/dbraw/zinc/28/46/93/347284693.db2.gz NGDWXNGAUHOTRW-JQWIXIFHSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C(F)F)C1 625274904 347284707 /nfs/dbraw/zinc/28/47/07/347284707.db2.gz NRBZZIRWTMXQDE-HLTSFMKQSA-N 1 1 189.249 2.229 10 0 AEAEMO C[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C(F)F)C1 625274911 347284744 /nfs/dbraw/zinc/28/47/44/347284744.db2.gz NRBZZIRWTMXQDE-VGMNWLOBSA-N 1 1 189.249 2.229 10 0 AEAEMO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](C(F)F)C1 625274907 347284754 /nfs/dbraw/zinc/28/47/54/347284754.db2.gz NRBZZIRWTMXQDE-HRDYMLBCSA-N 1 1 189.249 2.229 10 0 AEAEMO CCO[C@H](C[N@@H+]1CC=CCC1)C1CC1 625310427 347284766 /nfs/dbraw/zinc/28/47/66/347284766.db2.gz SFCPSBJQHDZBRF-GFCCVEGCSA-N 1 1 195.306 2.063 10 0 AEAEMO CCO[C@H](Cn1cc[nH+]c1C)C1CC1 625270571 347284818 /nfs/dbraw/zinc/28/48/18/347284818.db2.gz RROYJIKULFSWKF-LLVKDONJSA-N 1 1 194.278 2.007 10 0 AEAEMO CCOCC[N@@H+](C)CC1CC(C)(C)C1 625282026 347284845 /nfs/dbraw/zinc/28/48/45/347284845.db2.gz KMRVSHWHPIUOGZ-UHFFFAOYSA-N 1 1 199.338 2.391 10 0 AEAEMO C[N@@H+](CCCCO)CC1CC(C)(C)C1 625367445 347285273 /nfs/dbraw/zinc/28/52/73/347285273.db2.gz ZFJUGSMJZXWUFP-UHFFFAOYSA-N 1 1 199.338 2.127 10 0 AEAEMO C[C@@H]1C[C@H]1C[N@H+]1Cc2cccnc2C1 625388174 347285358 /nfs/dbraw/zinc/28/53/58/347285358.db2.gz VLQZNNSRBCGBNW-KOLCDFICSA-N 1 1 188.274 2.053 10 0 AEAEMO C[C@@H]1C[C@@H]1C[N@H+]1Cc2cccnc2C1 625388175 347285567 /nfs/dbraw/zinc/28/55/67/347285567.db2.gz VLQZNNSRBCGBNW-MWLCHTKSSA-N 1 1 188.274 2.053 10 0 AEAEMO CCO[C@H](C[N@H+]1[C@@H](C)C[C@H]1C)C1CC1 625380927 347285629 /nfs/dbraw/zinc/28/56/29/347285629.db2.gz PKTMYOJFOUHWBC-JFGNBEQYSA-N 1 1 197.322 2.284 10 0 AEAEMO C[C@H]1C[C@@H]1C[N@H+]1Cc2cccnc2C1 625388173 347285636 /nfs/dbraw/zinc/28/56/36/347285636.db2.gz VLQZNNSRBCGBNW-GXSJLCMTSA-N 1 1 188.274 2.053 10 0 AEAEMO C[C@H]1C[C@H]1C[N@H+]1Cc2cccnc2C1 625388176 347285644 /nfs/dbraw/zinc/28/56/44/347285644.db2.gz VLQZNNSRBCGBNW-ONGXEEELSA-N 1 1 188.274 2.053 10 0 AEAEMO CCO[C@@H](C[N@H+]1[C@@H](C)C[C@H]1C)C1CC1 625380928 347285661 /nfs/dbraw/zinc/28/56/61/347285661.db2.gz PKTMYOJFOUHWBC-UMNHJUIQSA-N 1 1 197.322 2.284 10 0 AEAEMO CCO[C@H](C[N@H+]1C[C@@H](C)[C@@H]1C)C1CC1 625448309 347286209 /nfs/dbraw/zinc/28/62/09/347286209.db2.gz JILBGPSUSLFOMD-JFGNBEQYSA-N 1 1 197.322 2.142 10 0 AEAEMO CCO[C@H](C[N@H+]1C[C@H](C)[C@@H]1C)C1CC1 625448308 347286215 /nfs/dbraw/zinc/28/62/15/347286215.db2.gz JILBGPSUSLFOMD-JBLDHEPKSA-N 1 1 197.322 2.142 10 0 AEAEMO CCO[C@H](C[N@H+]1C[C@H](C)[C@H]1C)C1CC1 625448307 347286512 /nfs/dbraw/zinc/28/65/12/347286512.db2.gz JILBGPSUSLFOMD-HOSYDEDBSA-N 1 1 197.322 2.142 10 0 AEAEMO CCO[C@H](C[N@H+]1C[C@@H](C)[C@H]1C)C1CC1 625448306 347286708 /nfs/dbraw/zinc/28/67/08/347286708.db2.gz JILBGPSUSLFOMD-CKYFFXLPSA-N 1 1 197.322 2.142 10 0 AEAEMO C[C@H]1C[C@H]1Cn1c[nH+]c2c1CCCC2 625450594 347287172 /nfs/dbraw/zinc/28/71/72/347287172.db2.gz QHEFAXGLGWEJRH-UWVGGRQHSA-N 1 1 190.290 2.418 10 0 AEAEMO C[C@H](CCO)[N@@H+](C)CC1CC(C)(C)C1 625514882 347287202 /nfs/dbraw/zinc/28/72/02/347287202.db2.gz VEIYUMPGWSMKET-SNVBAGLBSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@@H]1C[C@@H]1Cn1c[nH+]c2c1CCCC2 625450583 347287453 /nfs/dbraw/zinc/28/74/53/347287453.db2.gz QHEFAXGLGWEJRH-NXEZZACHSA-N 1 1 190.290 2.418 10 0 AEAEMO CC1(C)CC(C[N@H+]2CC[C@H](F)C2)C1 625457826 347287529 /nfs/dbraw/zinc/28/75/29/347287529.db2.gz QCIFLCLSRSRHIW-JTQLQIEISA-N 1 1 185.286 2.466 10 0 AEAEMO C[C@@H]1C[C@H]1Cn1c[nH+]c2c1CCCC2 625450597 347287606 /nfs/dbraw/zinc/28/76/06/347287606.db2.gz QHEFAXGLGWEJRH-ZJUUUORDSA-N 1 1 190.290 2.418 10 0 AEAEMO C[C@H]1C[C@@H]1Cn1c[nH+]c2c1CCCC2 625450595 347287734 /nfs/dbraw/zinc/28/77/34/347287734.db2.gz QHEFAXGLGWEJRH-VHSXEESVSA-N 1 1 190.290 2.418 10 0 AEAEMO C[C@@H](CCO)[N@@H+](C)CC1CC(C)(C)C1 625514881 347287926 /nfs/dbraw/zinc/28/79/26/347287926.db2.gz VEIYUMPGWSMKET-JTQLQIEISA-N 1 1 199.338 2.125 10 0 AEAEMO CC1(C)CC(C[N@H+]2CC[C@@H](F)C2)C1 625457832 347287939 /nfs/dbraw/zinc/28/79/39/347287939.db2.gz QCIFLCLSRSRHIW-SNVBAGLBSA-N 1 1 185.286 2.466 10 0 AEAEMO C[C@H]1C[C@H]1C[N@H+]1CC2CC1(C)C2 625564468 347288185 /nfs/dbraw/zinc/28/81/85/347288185.db2.gz CTQCURBIIWAGJQ-XEAZBWPWSA-N 1 1 165.280 2.127 10 0 AEAEMO C[C@H]1C[C@@H]1C[N@H+]1CC2CC1(C)C2 625564466 347288572 /nfs/dbraw/zinc/28/85/72/347288572.db2.gz CTQCURBIIWAGJQ-QPBDYMMBSA-N 1 1 165.280 2.127 10 0 AEAEMO C[C@@H]1C[C@H]1C[N@H+]1CC2CC1(C)C2 625564467 347288577 /nfs/dbraw/zinc/28/85/77/347288577.db2.gz CTQCURBIIWAGJQ-VKAADOFISA-N 1 1 165.280 2.127 10 0 AEAEMO C[C@@H]1C[C@@H]1C[N@H+]1CC2CC1(C)C2 625564465 347288665 /nfs/dbraw/zinc/28/86/65/347288665.db2.gz CTQCURBIIWAGJQ-BZCXBAJXSA-N 1 1 165.280 2.127 10 0 AEAEMO Oc1ccc2c(c1)C[N@@H+](CCCF)C2 625726424 347291038 /nfs/dbraw/zinc/29/10/38/347291038.db2.gz HUKCSWYUQFCBCL-UHFFFAOYSA-N 1 1 195.237 2.067 10 0 AEAEMO Oc1ccc2c(c1)C[N@H+](CCCF)C2 625726424 347291041 /nfs/dbraw/zinc/29/10/41/347291041.db2.gz HUKCSWYUQFCBCL-UHFFFAOYSA-N 1 1 195.237 2.067 10 0 AEAEMO C1CC1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 625773189 347291890 /nfs/dbraw/zinc/29/18/90/347291890.db2.gz KIVPWXVKJRCJOD-MNOVXSKESA-N 1 1 197.347 2.366 10 0 AEAEMO CC(C)[N@H+]1CC[C@H]2CC[C@@H](C1)S2 625774267 347291665 /nfs/dbraw/zinc/29/16/65/347291665.db2.gz WZUYFQDCZSHSPT-ZJUUUORDSA-N 1 1 185.336 2.365 10 0 AEAEMO CC(C)=CCC[N@H+](C)CC1(C)COC1 625791310 347291740 /nfs/dbraw/zinc/29/17/40/347291740.db2.gz DPWYYHJXTQKTQK-UHFFFAOYSA-N 1 1 197.322 2.311 10 0 AEAEMO CCC[N@H+]1CC[C@H]2CC[C@@H](C1)S2 625775255 347292517 /nfs/dbraw/zinc/29/25/17/347292517.db2.gz PCHFQAOCGRFOMT-ZJUUUORDSA-N 1 1 185.336 2.366 10 0 AEAEMO CCCCC[N@H+]1CCO[C@@H]2CCC[C@@H]21 625850630 347293805 /nfs/dbraw/zinc/29/38/05/347293805.db2.gz CGQWEVPNFZOQKN-NWDGAFQWSA-N 1 1 197.322 2.430 10 0 AEAEMO COc1cccc2c1C[N@H+](C(C)C)C2 626020872 347295265 /nfs/dbraw/zinc/29/52/65/347295265.db2.gz GBCCDUMYOYKGBS-UHFFFAOYSA-N 1 1 191.274 2.419 10 0 AEAEMO CC[N@@H+]1Cc2cccc(OC)c2C1 626021548 347296047 /nfs/dbraw/zinc/29/60/47/347296047.db2.gz GFAKEPWENCTRNF-UHFFFAOYSA-N 1 1 177.247 2.031 10 0 AEAEMO CC[N@H+]1Cc2cccc(OC)c2C1 626021548 347296050 /nfs/dbraw/zinc/29/60/50/347296050.db2.gz GFAKEPWENCTRNF-UHFFFAOYSA-N 1 1 177.247 2.031 10 0 AEAEMO CC[N@H+]1C[C@@H]2CCCC[C@@]21C 626104882 347297484 /nfs/dbraw/zinc/29/74/84/347297484.db2.gz IMMIIZYLXLUPKO-UWVGGRQHSA-N 1 1 153.269 2.271 10 0 AEAEMO C[C@H](O)CC[N@H+]1C[C@@H]2CCCC[C@@]21C 626102938 347297474 /nfs/dbraw/zinc/29/74/74/347297474.db2.gz COMYMYAVDWADSN-SRVKXCTJSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H](O)C[N@H+]1C[C@@H]2CCCC[C@@]21C 626103463 347297556 /nfs/dbraw/zinc/29/75/56/347297556.db2.gz ATSZJQQBCHBQHO-TUAOUCFPSA-N 1 1 197.322 2.022 10 0 AEAEMO CO[C@H](C)C[N@H+]1C[C@@H]2CCCC[C@@]21C 626103710 347297612 /nfs/dbraw/zinc/29/76/12/347297612.db2.gz MKAZXQXRJHKCBF-WOPDTQHZSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@H](O)C[N@H+]1C[C@@H]2CCCC[C@@]21C 626103462 347297651 /nfs/dbraw/zinc/29/76/51/347297651.db2.gz ATSZJQQBCHBQHO-SRVKXCTJSA-N 1 1 197.322 2.022 10 0 AEAEMO COCCC[N@H+]1C[C@@H]2CCCC[C@@]21C 626103651 347297670 /nfs/dbraw/zinc/29/76/70/347297670.db2.gz JYCMGHBBLVBNTP-RYUDHWBXSA-N 1 1 197.322 2.287 10 0 AEAEMO CCOCC[N@H+]1CCCC2(CC1)CC2 626113045 347297718 /nfs/dbraw/zinc/29/77/18/347297718.db2.gz BGQUJIIDDLTFEK-UHFFFAOYSA-N 1 1 197.322 2.289 10 0 AEAEMO CCOCC[N@H+]1C[C@@H]2CCCC[C@@]21C 626103765 347297776 /nfs/dbraw/zinc/29/77/76/347297776.db2.gz OOKMHCUASOXFMQ-RYUDHWBXSA-N 1 1 197.322 2.287 10 0 AEAEMO C[C@]12CCCC[C@H]1C[N@H+]2CCCCO 626104861 347297797 /nfs/dbraw/zinc/29/77/97/347297797.db2.gz HKEFTBBZFHFRBD-RYUDHWBXSA-N 1 1 197.322 2.023 10 0 AEAEMO CO[C@@H](C)C[N@H+]1C[C@@H]2CCCC[C@@]21C 626103709 347297915 /nfs/dbraw/zinc/29/79/15/347297915.db2.gz MKAZXQXRJHKCBF-SRVKXCTJSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H](O)CC[N@H+]1C[C@@H]2CCCC[C@@]21C 626102939 347297931 /nfs/dbraw/zinc/29/79/31/347297931.db2.gz COMYMYAVDWADSN-WOPDTQHZSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CC[C@@H](CO)C[C@H]1C 626118618 347298489 /nfs/dbraw/zinc/29/84/89/347298489.db2.gz DRRBXXWRZJTQIC-IJLUTSLNSA-N 1 1 199.338 2.125 10 0 AEAEMO C1C[N@H+]([C@@H]2CCOC2)CCC2(C1)CC2 626115508 347298510 /nfs/dbraw/zinc/29/85/10/347298510.db2.gz VZFOCQVCBOWAJK-LLVKDONJSA-N 1 1 195.306 2.041 10 0 AEAEMO CC[C@H](C)C[N@H+]1CC[C@@H](CO)C[C@H]1C 626118619 347298532 /nfs/dbraw/zinc/29/85/32/347298532.db2.gz DRRBXXWRZJTQIC-QJPTWQEYSA-N 1 1 199.338 2.125 10 0 AEAEMO C1C[N@H+]([C@H]2CCOC2)CCC2(C1)CC2 626115509 347298574 /nfs/dbraw/zinc/29/85/74/347298574.db2.gz VZFOCQVCBOWAJK-NSHDSACASA-N 1 1 195.306 2.041 10 0 AEAEMO CCCCC[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 626138085 347298584 /nfs/dbraw/zinc/29/85/84/347298584.db2.gz IHXXJPMCQBEIGQ-QJPTWQEYSA-N 1 1 197.322 2.022 10 0 AEAEMO CO[C@@H](C)C[N@H+]1CCCC2(CC1)CC2 626114675 347298720 /nfs/dbraw/zinc/29/87/20/347298720.db2.gz OXGSZPISEDMGPS-NSHDSACASA-N 1 1 197.322 2.287 10 0 AEAEMO CC[C@@H](O)C[N@H+]1CCCC2(CC1)CC2 626114164 347298734 /nfs/dbraw/zinc/29/87/34/347298734.db2.gz VQNUQBWOZUIXRO-LLVKDONJSA-N 1 1 197.322 2.023 10 0 AEAEMO CC(C)CC[N@H+]1CC[C@@H](CO)C[C@H]1C 626118435 347298799 /nfs/dbraw/zinc/29/87/99/347298799.db2.gz SFTDLKOFNIEDBE-VXGBXAGGSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@@H](O)CC[N@H+]1CCCC2(CC1)CC2 626115130 347298805 /nfs/dbraw/zinc/29/88/05/347298805.db2.gz GUDNHLPPWZSABZ-LLVKDONJSA-N 1 1 197.322 2.023 10 0 AEAEMO CC[N@H+]1CCCC2(CC1)CC2 626113929 347298847 /nfs/dbraw/zinc/29/88/47/347298847.db2.gz MJHPYMIQONHPSK-UHFFFAOYSA-N 1 1 153.269 2.272 10 0 AEAEMO CC(C)=CC[N@@H+]1CC[C@@H](CO)C[C@H]1C 626118447 347298887 /nfs/dbraw/zinc/29/88/87/347298887.db2.gz SWSLPNLHBJGIFX-VXGBXAGGSA-N 1 1 197.322 2.045 10 0 AEAEMO C[C@H](O)CC[N@H+]1CCCC2(CC1)CC2 626115131 347298962 /nfs/dbraw/zinc/29/89/62/347298962.db2.gz GUDNHLPPWZSABZ-NSHDSACASA-N 1 1 197.322 2.023 10 0 AEAEMO CCCCC[N@H+]1CC[C@@H](CO)C[C@H]1C 626118681 347298971 /nfs/dbraw/zinc/29/89/71/347298971.db2.gz IQVYIGMQCUWIOA-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO COCCC[N@H+]1CCCC2(CC1)CC2 626114036 347299037 /nfs/dbraw/zinc/29/90/37/347299037.db2.gz QNUYUPFNVLXZLO-UHFFFAOYSA-N 1 1 197.322 2.289 10 0 AEAEMO CC(C)(O)C[N@H+]1CCCC2(CC1)CC2 626114087 347299039 /nfs/dbraw/zinc/29/90/39/347299039.db2.gz SDOURQOCBHXWKQ-UHFFFAOYSA-N 1 1 197.322 2.023 10 0 AEAEMO CC[C@H](O)C[N@H+]1CCCC2(CC1)CC2 626114165 347299056 /nfs/dbraw/zinc/29/90/56/347299056.db2.gz VQNUQBWOZUIXRO-NSHDSACASA-N 1 1 197.322 2.023 10 0 AEAEMO OCCCC[N@H+]1CCCC2(CC1)CC2 626113911 347299097 /nfs/dbraw/zinc/29/90/97/347299097.db2.gz LOXRUCTWEIHCJH-UHFFFAOYSA-N 1 1 197.322 2.025 10 0 AEAEMO CO[C@H](C)C[N@H+]1CCCC2(CC1)CC2 626114674 347299148 /nfs/dbraw/zinc/29/91/48/347299148.db2.gz OXGSZPISEDMGPS-LLVKDONJSA-N 1 1 197.322 2.287 10 0 AEAEMO C/C=C\C[C@@H]1CCC[N@H+](CCOC)C1 626161110 347299479 /nfs/dbraw/zinc/29/94/79/347299479.db2.gz XJLISRGCBFLWAM-VSQXVHSFSA-N 1 1 197.322 2.311 10 0 AEAEMO C/C=C/C[C@@H]1CCC[N@H+](CCOC)C1 626161107 347299593 /nfs/dbraw/zinc/29/95/93/347299593.db2.gz XJLISRGCBFLWAM-AAOUONPWSA-N 1 1 197.322 2.311 10 0 AEAEMO C/C=C/C[C@H]1CCC[N@@H+](C[C@H](C)O)C1 626164729 347299515 /nfs/dbraw/zinc/29/95/15/347299515.db2.gz OFXIABRQEXUDAK-QSKOYVBTSA-N 1 1 197.322 2.045 10 0 AEAEMO C/C=C\C[C@@H]1CCC[N@@H+](C[C@H](C)O)C1 626163679 347299641 /nfs/dbraw/zinc/29/96/41/347299641.db2.gz OFXIABRQEXUDAK-RRNNCXACSA-N 1 1 197.322 2.045 10 0 AEAEMO C/C=C/C[C@@H]1CCC[N@@H+](C[C@H](C)O)C1 626163677 347299650 /nfs/dbraw/zinc/29/96/50/347299650.db2.gz OFXIABRQEXUDAK-HEKLCECKSA-N 1 1 197.322 2.045 10 0 AEAEMO C/C=C\C[C@@H]1CCC[N@@H+](C[C@@H](C)O)C1 626163678 347299671 /nfs/dbraw/zinc/29/96/71/347299671.db2.gz OFXIABRQEXUDAK-OPVGQWETSA-N 1 1 197.322 2.045 10 0 AEAEMO C/C=C/C[C@@H]1CCC[N@@H+](CCCO)C1 626160660 347299688 /nfs/dbraw/zinc/29/96/88/347299688.db2.gz MWGMXOKNNOGGHK-QAVQXKDTSA-N 1 1 197.322 2.047 10 0 AEAEMO C/C=C/C[C@@H]1CCC[N@@H+](C[C@@H](C)O)C1 626163676 347299691 /nfs/dbraw/zinc/29/96/91/347299691.db2.gz OFXIABRQEXUDAK-BLDJZWNYSA-N 1 1 197.322 2.045 10 0 AEAEMO C/C=C/C[C@H]1CCC[N@@H+](C[C@@H](C)O)C1 626164728 347299703 /nfs/dbraw/zinc/29/97/03/347299703.db2.gz OFXIABRQEXUDAK-LXYZTQFVSA-N 1 1 197.322 2.045 10 0 AEAEMO C/C=C\C[C@H]1CCC[N@@H+](C[C@H](C)O)C1 626164730 347299710 /nfs/dbraw/zinc/29/97/10/347299710.db2.gz OFXIABRQEXUDAK-WGPFEIJOSA-N 1 1 197.322 2.045 10 0 AEAEMO C/C=C/C[C@H]1CCC[N@H+](CCOC)C1 626161109 347299721 /nfs/dbraw/zinc/29/97/21/347299721.db2.gz XJLISRGCBFLWAM-PCAWENJQSA-N 1 1 197.322 2.311 10 0 AEAEMO C/C=C\C[C@H]1CCC[N@@H+](C[C@@H](C)O)C1 626164727 347299760 /nfs/dbraw/zinc/29/97/60/347299760.db2.gz OFXIABRQEXUDAK-BKGLOODYSA-N 1 1 197.322 2.045 10 0 AEAEMO C/C=C\C[C@H]1CCC[N@@H+](CCCO)C1 626160658 347299804 /nfs/dbraw/zinc/29/98/04/347299804.db2.gz MWGMXOKNNOGGHK-DLGQBQFBSA-N 1 1 197.322 2.047 10 0 AEAEMO C/C=C\C[C@@H]1CCC[N@@H+](CCCO)C1 626160661 347299868 /nfs/dbraw/zinc/29/98/68/347299868.db2.gz MWGMXOKNNOGGHK-ZZKXABKFSA-N 1 1 197.322 2.047 10 0 AEAEMO C/C=C\C[C@H]1CCC[N@H+](CCOC)C1 626161108 347299891 /nfs/dbraw/zinc/29/98/91/347299891.db2.gz XJLISRGCBFLWAM-MVZIDQBPSA-N 1 1 197.322 2.311 10 0 AEAEMO C/C=C/C[C@H]1CCC[N@@H+](CCCO)C1 626160659 347299971 /nfs/dbraw/zinc/29/99/71/347299971.db2.gz MWGMXOKNNOGGHK-JDGPPOGSSA-N 1 1 197.322 2.047 10 0 AEAEMO CCC[N@@H+](CC)Cc1cnc(C)o1 628117492 347306093 /nfs/dbraw/zinc/30/60/93/347306093.db2.gz LBFNPPHNNAADDY-UHFFFAOYSA-N 1 1 182.267 2.215 10 0 AEAEMO Cc1ncc(C[N@H+](C)C2CCCC2)o1 628125029 347306667 /nfs/dbraw/zinc/30/66/67/347306667.db2.gz HHIBJJMEZYFQHS-UHFFFAOYSA-N 1 1 194.278 2.357 10 0 AEAEMO Cc1ncc(C[N@@H+]2CCC[C@@H](C)C2)o1 628118824 347306778 /nfs/dbraw/zinc/30/67/78/347306778.db2.gz MCYOSAXLCFKMBG-SECBINFHSA-N 1 1 194.278 2.215 10 0 AEAEMO CC[C@@H]1CCCC[C@@H]1C[N@@H+](C)CCO 628118621 347306842 /nfs/dbraw/zinc/30/68/42/347306842.db2.gz ASQPHMZKYZGDCB-VXGBXAGGSA-N 1 1 199.338 2.127 10 0 AEAEMO Cc1ncc(C[N@H+](C)[C@H](C)C(C)C)o1 628132625 347306925 /nfs/dbraw/zinc/30/69/25/347306925.db2.gz KIXADVHEHKETAM-SECBINFHSA-N 1 1 196.294 2.459 10 0 AEAEMO CCCC[N@@H+](C)Cc1cnc(C)o1 628119008 347306966 /nfs/dbraw/zinc/30/69/66/347306966.db2.gz WDEFOKOTYTZDRS-UHFFFAOYSA-N 1 1 182.267 2.215 10 0 AEAEMO CC[C@H]1CCCC[C@@H]1C[N@@H+](C)CCO 628118619 347306997 /nfs/dbraw/zinc/30/69/97/347306997.db2.gz ASQPHMZKYZGDCB-NWDGAFQWSA-N 1 1 199.338 2.127 10 0 AEAEMO Cc1ncc(C[N@@H+]2CCC[C@H](C)C2)o1 628118825 347307024 /nfs/dbraw/zinc/30/70/24/347307024.db2.gz MCYOSAXLCFKMBG-VIFPVBQESA-N 1 1 194.278 2.215 10 0 AEAEMO CC[N@@H+](C)C[C@@]1(C)CCCS1 628129503 347307102 /nfs/dbraw/zinc/30/71/02/347307102.db2.gz FIQSFKAUQADSEO-SECBINFHSA-N 1 1 173.325 2.224 10 0 AEAEMO CC[N@@H+](C)C[C@]1(C)CCCS1 628129504 347307112 /nfs/dbraw/zinc/30/71/12/347307112.db2.gz FIQSFKAUQADSEO-VIFPVBQESA-N 1 1 173.325 2.224 10 0 AEAEMO Cc1ncc(C[N@H+](C)[C@@H](C)C(C)C)o1 628132626 347307177 /nfs/dbraw/zinc/30/71/77/347307177.db2.gz KIXADVHEHKETAM-VIFPVBQESA-N 1 1 196.294 2.459 10 0 AEAEMO Cc1ncc(C[N@@H+]2CCCC[C@@H]2C)o1 628119241 347307200 /nfs/dbraw/zinc/30/72/00/347307200.db2.gz IPOOKFMAJZTEJT-VIFPVBQESA-N 1 1 194.278 2.357 10 0 AEAEMO CC[N@@H+](C)Cc1cnc(C2CC2)o1 628129580 347307213 /nfs/dbraw/zinc/30/72/13/347307213.db2.gz JQGSPOSNFBDJCM-UHFFFAOYSA-N 1 1 180.251 2.004 10 0 AEAEMO CC[C@@H]1CCCC[C@H]1C[N@@H+](C)CCO 628118618 347307237 /nfs/dbraw/zinc/30/72/37/347307237.db2.gz ASQPHMZKYZGDCB-NEPJUHHUSA-N 1 1 199.338 2.127 10 0 AEAEMO Cc1ncc(C[N@@H+]2CCCC[C@H]2C)o1 628119240 347307287 /nfs/dbraw/zinc/30/72/87/347307287.db2.gz IPOOKFMAJZTEJT-SECBINFHSA-N 1 1 194.278 2.357 10 0 AEAEMO Cc1ncc(C[N@H+](C)CC(C)C)o1 628129501 347307318 /nfs/dbraw/zinc/30/73/18/347307318.db2.gz FELKYYKDJSVTGP-UHFFFAOYSA-N 1 1 182.267 2.071 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)Cc1cnc(C)o1 628144026 347307707 /nfs/dbraw/zinc/30/77/07/347307707.db2.gz LDLKCTQHVWLNEU-SECBINFHSA-N 1 1 196.294 2.461 10 0 AEAEMO CC[C@H](C)[N@@H+](C)Cc1cnc(C)o1 628135709 347307829 /nfs/dbraw/zinc/30/78/29/347307829.db2.gz FVIAOZITDLRQOO-QMMMGPOBSA-N 1 1 182.267 2.213 10 0 AEAEMO Cc1ncc(C[N@H+](C(C)C)C2CC2)o1 628140064 347307938 /nfs/dbraw/zinc/30/79/38/347307938.db2.gz ZGKLIYWIDYNPHT-UHFFFAOYSA-N 1 1 194.278 2.356 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)Cc1cnc(C)o1 628144027 347307967 /nfs/dbraw/zinc/30/79/67/347307967.db2.gz LDLKCTQHVWLNEU-VIFPVBQESA-N 1 1 196.294 2.461 10 0 AEAEMO Cc1ncc(C[N@H+]2CCCC2(C)C)o1 628159949 347307988 /nfs/dbraw/zinc/30/79/88/347307988.db2.gz BMDWSKXVEUGIPH-UHFFFAOYSA-N 1 1 194.278 2.357 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1Cc1cnc(C)o1 628153037 347308039 /nfs/dbraw/zinc/30/80/39/347308039.db2.gz YBSIQGDDXMPAKN-SNVBAGLBSA-N 1 1 194.278 2.357 10 0 AEAEMO CC[N@H+](Cc1cnc(C)o1)CC(C)C 628135273 347308090 /nfs/dbraw/zinc/30/80/90/347308090.db2.gz QXTJJXMFQDVVSW-UHFFFAOYSA-N 1 1 196.294 2.461 10 0 AEAEMO C[N@@H+](C[C@]1(C)CCCS1)C1CC1 628134982 347308096 /nfs/dbraw/zinc/30/80/96/347308096.db2.gz JTMGJVRQTOCZJU-JTQLQIEISA-N 1 1 185.336 2.366 10 0 AEAEMO Cc1ncc(C[N@H+](C)[C@H](C)C2CC2)o1 628137776 347308132 /nfs/dbraw/zinc/30/81/32/347308132.db2.gz RATYRXIRPHQSDF-MRVPVSSYSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1ncc(C[N@H+](C)CC(C)(C)C)o1 628150549 347308175 /nfs/dbraw/zinc/30/81/75/347308175.db2.gz XGLHSZPAIOMHHY-UHFFFAOYSA-N 1 1 196.294 2.461 10 0 AEAEMO Cc1ncc(C[N@H+](C)[C@@H](C)C2CC2)o1 628137777 347308198 /nfs/dbraw/zinc/30/81/98/347308198.db2.gz RATYRXIRPHQSDF-QMMMGPOBSA-N 1 1 194.278 2.213 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)Cc1cnc(C)o1 628135708 347308205 /nfs/dbraw/zinc/30/82/05/347308205.db2.gz FVIAOZITDLRQOO-MRVPVSSYSA-N 1 1 182.267 2.213 10 0 AEAEMO CC[C@H]1CCC[N@H+]1Cc1cnc(C)o1 628153036 347308214 /nfs/dbraw/zinc/30/82/14/347308214.db2.gz YBSIQGDDXMPAKN-JTQLQIEISA-N 1 1 194.278 2.357 10 0 AEAEMO C[N@@H+](C[C@@]1(C)CCCS1)C1CC1 628134983 347308224 /nfs/dbraw/zinc/30/82/24/347308224.db2.gz JTMGJVRQTOCZJU-SNVBAGLBSA-N 1 1 185.336 2.366 10 0 AEAEMO CCC[N@@H+](Cc1cnc(C)o1)C1CC1 628133638 347308330 /nfs/dbraw/zinc/30/83/30/347308330.db2.gz LDRJPNRMWVAWKB-UHFFFAOYSA-N 1 1 194.278 2.357 10 0 AEAEMO Cc1c[nH]c(C[N@H+]2CCCC2(C)C)n1 628159952 347308369 /nfs/dbraw/zinc/30/83/69/347308369.db2.gz BQFOROYXHBDKJX-UHFFFAOYSA-N 1 1 193.294 2.093 10 0 AEAEMO Cc1ncc(C[N@H+](C)CCC(C)C)o1 628132908 347308416 /nfs/dbraw/zinc/30/84/16/347308416.db2.gz QMKQVQHLNODEBO-UHFFFAOYSA-N 1 1 196.294 2.461 10 0 AEAEMO CC[C@@H]1CC[N@@H+](Cc2cnc(C)o2)C1 628190001 347308792 /nfs/dbraw/zinc/30/87/92/347308792.db2.gz SROLPJSLJYEADK-SNVBAGLBSA-N 1 1 194.278 2.215 10 0 AEAEMO CC1=CC[N@@H+](Cc2cnc(C)o2)CC1 628178954 347308810 /nfs/dbraw/zinc/30/88/10/347308810.db2.gz JFYSCNBBOYDMMG-UHFFFAOYSA-N 1 1 192.262 2.135 10 0 AEAEMO Cc1ncc(C[N@H+]2C[C@@H](C)C[C@@H]2C)o1 628183346 347308880 /nfs/dbraw/zinc/30/88/80/347308880.db2.gz YGRGUQNGKYQYLM-IUCAKERBSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1ncc(C[N@H+]2C[C@@H](C)C[C@H]2C)o1 628183345 347308904 /nfs/dbraw/zinc/30/89/04/347308904.db2.gz YGRGUQNGKYQYLM-DTWKUNHWSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1ncc(C[N@H+]2C[C@@H](C)[C@@H](C)C2)o1 628178878 347308932 /nfs/dbraw/zinc/30/89/32/347308932.db2.gz GXMJJAZTOHPHQS-DTORHVGOSA-N 1 1 194.278 2.071 10 0 AEAEMO Cc1ncc(C[N@@H+]2CC[C@H](C)[C@@H]2C)o1 628189798 347308964 /nfs/dbraw/zinc/30/89/64/347308964.db2.gz NCTDOHTXJZUJNS-IUCAKERBSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1ncc(C[N@@H+]2CC[C@@H](C)[C@H]2C)o1 628189799 347309041 /nfs/dbraw/zinc/30/90/41/347309041.db2.gz NCTDOHTXJZUJNS-RKDXNWHRSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1ncc(C[N@@H+]2CC[C@H](C)[C@H]2C)o1 628189797 347309071 /nfs/dbraw/zinc/30/90/71/347309071.db2.gz NCTDOHTXJZUJNS-DTWKUNHWSA-N 1 1 194.278 2.213 10 0 AEAEMO CC[N@@H+](Cc1cnc(C)o1)C1CCC1 628181475 347309257 /nfs/dbraw/zinc/30/92/57/347309257.db2.gz DWYKAUFSMRICNN-UHFFFAOYSA-N 1 1 194.278 2.357 10 0 AEAEMO Cc1ncc(C[N@H+]2C[C@H](C)C[C@@H]2C)o1 628183344 347309308 /nfs/dbraw/zinc/30/93/08/347309308.db2.gz YGRGUQNGKYQYLM-BDAKNGLRSA-N 1 1 194.278 2.213 10 0 AEAEMO CC[N@H+](Cc1cnc(C)o1)CC1CC1 628173966 347309350 /nfs/dbraw/zinc/30/93/50/347309350.db2.gz RJBQPHBWTFFMDA-UHFFFAOYSA-N 1 1 194.278 2.215 10 0 AEAEMO Cc1ncc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)o1 628189796 347309412 /nfs/dbraw/zinc/30/94/12/347309412.db2.gz NCTDOHTXJZUJNS-BDAKNGLRSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1ncc(C[N@H+]2CCC(C)(C)C2)o1 628172494 347309430 /nfs/dbraw/zinc/30/94/30/347309430.db2.gz KDTGKCYSASAQQX-UHFFFAOYSA-N 1 1 194.278 2.215 10 0 AEAEMO Cc1ncc(C[N@@H+]2CC[C@@H]2C(C)C)o1 628198943 347309438 /nfs/dbraw/zinc/30/94/38/347309438.db2.gz SGBZQCVERHGNBY-LLVKDONJSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1ncc(C[N@H+]2[C@@H](C)CC[C@H]2C)o1 628190609 347309581 /nfs/dbraw/zinc/30/95/81/347309581.db2.gz KURBRFFNNXZZMA-DTORHVGOSA-N 1 1 194.278 2.356 10 0 AEAEMO Cc1ncc(C[N@@H+]2CC[C@H]2C(C)C)o1 628198944 347309587 /nfs/dbraw/zinc/30/95/87/347309587.db2.gz SGBZQCVERHGNBY-NSHDSACASA-N 1 1 194.278 2.213 10 0 AEAEMO CC[C@H]1CC[N@@H+](Cc2cnc(C)o2)C1 628190000 347309638 /nfs/dbraw/zinc/30/96/38/347309638.db2.gz SROLPJSLJYEADK-JTQLQIEISA-N 1 1 194.278 2.215 10 0 AEAEMO Cc1ncc(C[N@H+]2C[C@H](C)C[C@H]2C)o1 628183347 347309646 /nfs/dbraw/zinc/30/96/46/347309646.db2.gz YGRGUQNGKYQYLM-RKDXNWHRSA-N 1 1 194.278 2.213 10 0 AEAEMO CC1=CCC[N@H+](Cc2cnc(C)o2)C1 628259019 347313611 /nfs/dbraw/zinc/31/36/11/347313611.db2.gz CQQKOVNJZAICAI-UHFFFAOYSA-N 1 1 192.262 2.135 10 0 AEAEMO Cc1nc(C[NH+]2[C@H](C)C[C@H]2C)[nH]c1C 628255241 347313772 /nfs/dbraw/zinc/31/37/72/347313772.db2.gz HGRVHEOLGNDKQG-HTQZYQBOSA-N 1 1 193.294 2.009 10 0 AEAEMO CC[C@H]1CC[N@@H+]1Cc1nc(C)c(C)[nH]1 628293112 347313786 /nfs/dbraw/zinc/31/37/86/347313786.db2.gz MFDNCZJFFZZFGQ-JTQLQIEISA-N 1 1 193.294 2.011 10 0 AEAEMO CC[C@H]1CC[N@H+]1Cc1nc(C)c(C)[nH]1 628293112 347313787 /nfs/dbraw/zinc/31/37/87/347313787.db2.gz MFDNCZJFFZZFGQ-JTQLQIEISA-N 1 1 193.294 2.011 10 0 AEAEMO CC[C@@H]1CC[N@@H+]1Cc1nc(C)c(C)[nH]1 628293113 347313821 /nfs/dbraw/zinc/31/38/21/347313821.db2.gz MFDNCZJFFZZFGQ-SNVBAGLBSA-N 1 1 193.294 2.011 10 0 AEAEMO CC[C@@H]1CC[N@H+]1Cc1nc(C)c(C)[nH]1 628293113 347313824 /nfs/dbraw/zinc/31/38/24/347313824.db2.gz MFDNCZJFFZZFGQ-SNVBAGLBSA-N 1 1 193.294 2.011 10 0 AEAEMO CC1C[NH+](Cc2cnc(C3CC3)o2)C1 628255520 347313995 /nfs/dbraw/zinc/31/39/95/347313995.db2.gz PQLQZAJHLRPPFX-UHFFFAOYSA-N 1 1 192.262 2.004 10 0 AEAEMO Cc1nc(C[N@@H+]2[C@@H](C)C[C@H]2C)[nH]c1C 628255242 347314018 /nfs/dbraw/zinc/31/40/18/347314018.db2.gz HGRVHEOLGNDKQG-OCAPTIKFSA-N 1 1 193.294 2.009 10 0 AEAEMO Cc1nc(C[N@H+]2[C@@H](C)C[C@H]2C)[nH]c1C 628255242 347314021 /nfs/dbraw/zinc/31/40/21/347314021.db2.gz HGRVHEOLGNDKQG-OCAPTIKFSA-N 1 1 193.294 2.009 10 0 AEAEMO Cc1nc(C[NH+]2[C@@H](C)C[C@@H]2C)[nH]c1C 628255243 347314135 /nfs/dbraw/zinc/31/41/35/347314135.db2.gz HGRVHEOLGNDKQG-YUMQZZPRSA-N 1 1 193.294 2.009 10 0 AEAEMO CCC1(C)C[NH+](Cc2cnc(C)o2)C1 628307969 347314653 /nfs/dbraw/zinc/31/46/53/347314653.db2.gz NVQUSASTESOGMX-UHFFFAOYSA-N 1 1 194.278 2.215 10 0 AEAEMO Cc1ncc(C[N@H+](C)C(C)(C)C)o1 628322665 347314885 /nfs/dbraw/zinc/31/48/85/347314885.db2.gz IDEDHJUEQIVFIK-UHFFFAOYSA-N 1 1 182.267 2.213 10 0 AEAEMO c1[nH+]c2c(n1C1CSC1)CCCC2 628371625 347315408 /nfs/dbraw/zinc/31/54/08/347315408.db2.gz SHXZYLLBOFOXGD-UHFFFAOYSA-N 1 1 194.303 2.050 10 0 AEAEMO c1csc(C[N@@H+]2C[C@H]3C[C@H]3C2)c1 628407318 347316338 /nfs/dbraw/zinc/31/63/38/347316338.db2.gz DDJWQQWLCUPKEY-DTORHVGOSA-N 1 1 179.288 2.200 10 0 AEAEMO Cc1ccc(C[N@@H+]2C[C@H]3C[C@H]3C2)o1 628407451 347316366 /nfs/dbraw/zinc/31/63/66/347316366.db2.gz GNVRLOPYRAQTLZ-AOOOYVTPSA-N 1 1 177.247 2.040 10 0 AEAEMO c1cc(C[N@@H+]2C[C@H]3C[C@H]3C2)cs1 628407224 347316405 /nfs/dbraw/zinc/31/64/05/347316405.db2.gz BSFCBTWLWCNROX-AOOOYVTPSA-N 1 1 179.288 2.200 10 0 AEAEMO C1=CC[C@H](C[N@@H+]2C[C@H]3C[C@H]3C2)CC1 628408826 347316938 /nfs/dbraw/zinc/31/69/38/347316938.db2.gz HRQLQEFHERTUCJ-SDDRHHMPSA-N 1 1 177.291 2.294 10 0 AEAEMO C1=CC[C@@H](C[N@@H+]2C[C@H]3C[C@H]3C2)CC1 628408828 347316949 /nfs/dbraw/zinc/31/69/49/347316949.db2.gz HRQLQEFHERTUCJ-UTUOFQBUSA-N 1 1 177.291 2.294 10 0 AEAEMO C[C@]1(C[N@@H+]2C[C@H]3C[C@H]3C2)CCCS1 628410262 347317380 /nfs/dbraw/zinc/31/73/80/347317380.db2.gz INDUUPAHHMZWCQ-OUAUKWLOSA-N 1 1 197.347 2.224 10 0 AEAEMO CCC[C@@H](C)C[N@@H+]1C[C@H]2C[C@H]2C1 628410441 347317568 /nfs/dbraw/zinc/31/75/68/347317568.db2.gz LFGDSXJOODIKHP-MXWKQRLJSA-N 1 1 167.296 2.374 10 0 AEAEMO CCC[C@H](C)C[N@@H+]1C[C@H]2C[C@H]2C1 628410439 347317601 /nfs/dbraw/zinc/31/76/01/347317601.db2.gz LFGDSXJOODIKHP-GARJFASQSA-N 1 1 167.296 2.374 10 0 AEAEMO C[C@@]1(C[N@@H+]2C[C@H]3C[C@H]3C2)CCCS1 628410259 347317621 /nfs/dbraw/zinc/31/76/21/347317621.db2.gz INDUUPAHHMZWCQ-AXFHLTTASA-N 1 1 197.347 2.224 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)CC1(C)COC1 628424056 347318041 /nfs/dbraw/zinc/31/80/41/347318041.db2.gz WFIQJADCBOMZON-LLVKDONJSA-N 1 1 199.338 2.391 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)CC1(C)COC1 628424057 347318475 /nfs/dbraw/zinc/31/84/75/347318475.db2.gz WFIQJADCBOMZON-NSHDSACASA-N 1 1 199.338 2.391 10 0 AEAEMO CCCc1[nH+]ccn1C[C@H]1C[C@@H]1C 629164939 347335793 /nfs/dbraw/zinc/33/57/93/347335793.db2.gz UDQYWJXRAZNRLX-VHSXEESVSA-N 1 1 178.279 2.492 10 0 AEAEMO CCCc1[nH+]ccn1C[C@@H]1C[C@@H]1C 629164938 347335802 /nfs/dbraw/zinc/33/58/02/347335802.db2.gz UDQYWJXRAZNRLX-UWVGGRQHSA-N 1 1 178.279 2.492 10 0 AEAEMO CCCc1[nH+]ccn1C[C@@H]1C[C@H]1C 629164941 347335857 /nfs/dbraw/zinc/33/58/57/347335857.db2.gz UDQYWJXRAZNRLX-ZJUUUORDSA-N 1 1 178.279 2.492 10 0 AEAEMO CCc1[nH+]ccn1C[C@H]1C[C@@H]1C 629170797 347335886 /nfs/dbraw/zinc/33/58/86/347335886.db2.gz WIGBYKDRHDWBIL-DTWKUNHWSA-N 1 1 164.252 2.102 10 0 AEAEMO CCc1[nH+]ccn1C[C@@H]1C[C@@H]1C 629170800 347335891 /nfs/dbraw/zinc/33/58/91/347335891.db2.gz WIGBYKDRHDWBIL-IUCAKERBSA-N 1 1 164.252 2.102 10 0 AEAEMO C[C@H](Cc1[nH]cc[nH+]1)OC[C@H]1C[C@H]1C 629166465 347336010 /nfs/dbraw/zinc/33/60/10/347336010.db2.gz UDBNCHAUWGCUJP-OPRDCNLKSA-N 1 1 194.278 2.013 10 0 AEAEMO CCCc1[nH+]ccn1C[C@H]1C[C@H]1C 629164827 347336041 /nfs/dbraw/zinc/33/60/41/347336041.db2.gz UDQYWJXRAZNRLX-NXEZZACHSA-N 1 1 178.279 2.492 10 0 AEAEMO C[C@H]1C[C@@H]1CO[C@H](C)Cc1[nH]cc[nH+]1 629166464 347336100 /nfs/dbraw/zinc/33/61/00/347336100.db2.gz UDBNCHAUWGCUJP-IVZWLZJFSA-N 1 1 194.278 2.013 10 0 AEAEMO CCc1[nH+]ccn1C[C@@H]1C[C@H]1C 629170795 347336110 /nfs/dbraw/zinc/33/61/10/347336110.db2.gz WIGBYKDRHDWBIL-BDAKNGLRSA-N 1 1 164.252 2.102 10 0 AEAEMO CCc1[nH+]ccn1C[C@H]1C[C@H]1C 629170801 347336134 /nfs/dbraw/zinc/33/61/34/347336134.db2.gz WIGBYKDRHDWBIL-RKDXNWHRSA-N 1 1 164.252 2.102 10 0 AEAEMO C[C@@H]1C[C@@H]1Cn1cc[nH+]c1C1CC1 629259750 347338522 /nfs/dbraw/zinc/33/85/22/347338522.db2.gz VUMIHQGIFHLJIM-PSASIEDQSA-N 1 1 176.263 2.417 10 0 AEAEMO C[C@H]1C[C@H]1Cn1cc[nH+]c1C1CC1 629259753 347338657 /nfs/dbraw/zinc/33/86/57/347338657.db2.gz VUMIHQGIFHLJIM-WPRPVWTQSA-N 1 1 176.263 2.417 10 0 AEAEMO C[C@@H]1C[C@H]1Cn1cc[nH+]c1C1CC1 629259751 347338844 /nfs/dbraw/zinc/33/88/44/347338844.db2.gz VUMIHQGIFHLJIM-SCZZXKLOSA-N 1 1 176.263 2.417 10 0 AEAEMO C[C@H]1C[C@@H]1Cn1cc[nH+]c1C1CC1 629259752 347338909 /nfs/dbraw/zinc/33/89/09/347338909.db2.gz VUMIHQGIFHLJIM-WCBMZHEXSA-N 1 1 176.263 2.417 10 0 AEAEMO CCC[C@@H](C)CN[C@@H]1CC[NH2+][C@H]1CC 629391055 347341885 /nfs/dbraw/zinc/34/18/85/347341885.db2.gz SZOGXBSDDNBOJQ-GRYCIOLGSA-N 1 1 198.354 2.153 10 0 AEAEMO CCC[C@@H](CC)N[C@@H]1CC[NH2+][C@H]1CC 629390349 347341931 /nfs/dbraw/zinc/34/19/31/347341931.db2.gz PAHBFAZNQZVHJD-GRYCIOLGSA-N 1 1 198.354 2.295 10 0 AEAEMO CCC(CC)CN[C@@H]1CC[NH2+][C@H]1CC 629391005 347341949 /nfs/dbraw/zinc/34/19/49/347341949.db2.gz REDKZFAVOZZNLC-NWDGAFQWSA-N 1 1 198.354 2.153 10 0 AEAEMO CCC[C@H](CC)N[C@@H]1CC[NH2+][C@H]1CC 629390350 347341954 /nfs/dbraw/zinc/34/19/54/347341954.db2.gz PAHBFAZNQZVHJD-SDDRHHMPSA-N 1 1 198.354 2.295 10 0 AEAEMO CCCC[C@@H](C)N[C@@H]1CC[NH2+][C@H]1CC 629404812 347341983 /nfs/dbraw/zinc/34/19/83/347341983.db2.gz PCVZWUNDOWHXOD-GRYCIOLGSA-N 1 1 198.354 2.295 10 0 AEAEMO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)CC(C)C 629404053 347342013 /nfs/dbraw/zinc/34/20/13/347342013.db2.gz HZZMZZOOFAPRNH-GRYCIOLGSA-N 1 1 198.354 2.151 10 0 AEAEMO CCC[C@H](C)CN[C@@H]1CC[NH2+][C@H]1CC 629391056 347342077 /nfs/dbraw/zinc/34/20/77/347342077.db2.gz SZOGXBSDDNBOJQ-SDDRHHMPSA-N 1 1 198.354 2.153 10 0 AEAEMO CCCC[C@H](C)N[C@@H]1CC[NH2+][C@H]1CC 629404813 347342125 /nfs/dbraw/zinc/34/21/25/347342125.db2.gz PCVZWUNDOWHXOD-SDDRHHMPSA-N 1 1 198.354 2.295 10 0 AEAEMO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)CC(C)C 629404054 347342424 /nfs/dbraw/zinc/34/24/24/347342424.db2.gz HZZMZZOOFAPRNH-SDDRHHMPSA-N 1 1 198.354 2.151 10 0 AEAEMO CC[C@@H]1[NH2+]CC[C@H]1NC1CCCCC1 629405893 347342866 /nfs/dbraw/zinc/34/28/66/347342866.db2.gz XABAAGDGFATAJE-NWDGAFQWSA-N 1 1 196.338 2.049 10 0 AEAEMO CCCC[C@H](CC)N[C@@H]1CC[NH2+][C@H]1C 629407096 347342923 /nfs/dbraw/zinc/34/29/23/347342923.db2.gz SZWPFLACLGSLNO-SDDRHHMPSA-N 1 1 198.354 2.295 10 0 AEAEMO CC(C)CC[C@@H](C)N[C@@H]1CC[NH2+][C@H]1C 629407022 347343068 /nfs/dbraw/zinc/34/30/68/347343068.db2.gz VKXRAMHVDSBKHV-GRYCIOLGSA-N 1 1 198.354 2.151 10 0 AEAEMO CC(C)CC[C@H](C)N[C@@H]1CC[NH2+][C@H]1C 629407023 347343074 /nfs/dbraw/zinc/34/30/74/347343074.db2.gz VKXRAMHVDSBKHV-SDDRHHMPSA-N 1 1 198.354 2.151 10 0 AEAEMO CCCC(CCC)N[C@@H]1CC[NH2+][C@H]1C 629407270 347343136 /nfs/dbraw/zinc/34/31/36/347343136.db2.gz YKVMKIOSFBZROK-CMPLNLGQSA-N 1 1 198.354 2.295 10 0 AEAEMO CCCC[C@@H](CC)N[C@@H]1CC[NH2+][C@H]1C 629406995 347343391 /nfs/dbraw/zinc/34/33/91/347343391.db2.gz SZWPFLACLGSLNO-QJPTWQEYSA-N 1 1 198.354 2.295 10 0 AEAEMO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)C(C)(C)C 629526376 347344867 /nfs/dbraw/zinc/34/48/67/347344867.db2.gz RWISIZWNAVXEQX-GARJFASQSA-N 1 1 198.354 2.151 10 0 AEAEMO CC[C@H](N[C@@H]1CC[NH2+][C@H]1CC)C(C)C 629523626 347344969 /nfs/dbraw/zinc/34/49/69/347344969.db2.gz IZHCBRTVLPRCRO-SDDRHHMPSA-N 1 1 198.354 2.151 10 0 AEAEMO CC[C@H](C)[C@H](C)N[C@@H]1CC[NH2+][C@H]1CC 629523925 347345015 /nfs/dbraw/zinc/34/50/15/347345015.db2.gz LYIKOBYFDSGRFL-FIQHERPVSA-N 1 1 198.354 2.151 10 0 AEAEMO CCC[C@@H](C)CCC[NH+]1CCNCC1 629506128 347345041 /nfs/dbraw/zinc/34/50/41/347345041.db2.gz SUNVJLSZOPDVLM-GFCCVEGCSA-N 1 1 198.354 2.108 10 0 AEAEMO CCC[C@H](C)CCC[N@@H+]1CC[C@@H](N)C1 629505866 347345139 /nfs/dbraw/zinc/34/51/39/347345139.db2.gz POIRRCPUPYKGAL-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H](C)CCC[N@H+]1CC[C@@H](N)C1 629505866 347345140 /nfs/dbraw/zinc/34/51/40/347345140.db2.gz POIRRCPUPYKGAL-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)C(C)(C)C 629526377 347345214 /nfs/dbraw/zinc/34/52/14/347345214.db2.gz RWISIZWNAVXEQX-OUAUKWLOSA-N 1 1 198.354 2.151 10 0 AEAEMO CC[C@H](C)[C@@H](C)N[C@@H]1CC[NH2+][C@H]1CC 629523927 347345281 /nfs/dbraw/zinc/34/52/81/347345281.db2.gz LYIKOBYFDSGRFL-WHOHXGKFSA-N 1 1 198.354 2.151 10 0 AEAEMO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](CC)C(C)C 629523625 347345342 /nfs/dbraw/zinc/34/53/42/347345342.db2.gz IZHCBRTVLPRCRO-GRYCIOLGSA-N 1 1 198.354 2.151 10 0 AEAEMO CCC[C@@H](C)CCC[N@@H+]1CC[C@@H](N)C1 629505867 347345351 /nfs/dbraw/zinc/34/53/51/347345351.db2.gz POIRRCPUPYKGAL-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@H](C)CCC[N@H+]1CC[C@@H](N)C1 629505867 347345354 /nfs/dbraw/zinc/34/53/54/347345354.db2.gz POIRRCPUPYKGAL-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H](C)CCC[N@@H+]1CC[C@H](N)C1 629512179 347345369 /nfs/dbraw/zinc/34/53/69/347345369.db2.gz POIRRCPUPYKGAL-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@H](C)CCC[N@H+]1CC[C@H](N)C1 629512179 347345372 /nfs/dbraw/zinc/34/53/72/347345372.db2.gz POIRRCPUPYKGAL-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)[C@H](C)CC 629523926 347345394 /nfs/dbraw/zinc/34/53/94/347345394.db2.gz LYIKOBYFDSGRFL-NOOOWODRSA-N 1 1 198.354 2.151 10 0 AEAEMO CCC[C@@H](C)CCC[N@@H+]1CC[C@H](N)C1 629512178 347345547 /nfs/dbraw/zinc/34/55/47/347345547.db2.gz POIRRCPUPYKGAL-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@@H](C)CCC[N@H+]1CC[C@H](N)C1 629512178 347345549 /nfs/dbraw/zinc/34/55/49/347345549.db2.gz POIRRCPUPYKGAL-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)[C@H](C)CC 629523928 347345623 /nfs/dbraw/zinc/34/56/23/347345623.db2.gz LYIKOBYFDSGRFL-WISYIIOYSA-N 1 1 198.354 2.151 10 0 AEAEMO CCC[C@H](C)CCC[NH+]1CCNCC1 629506129 347345632 /nfs/dbraw/zinc/34/56/32/347345632.db2.gz SUNVJLSZOPDVLM-LBPRGKRZSA-N 1 1 198.354 2.108 10 0 AEAEMO CCC[C@H](C)CCC[N@H+](C)CCN 629538401 347346277 /nfs/dbraw/zinc/34/62/77/347346277.db2.gz LXLZWIXAEOPZNT-NSHDSACASA-N 1 1 186.343 2.093 10 0 AEAEMO CCC[C@H](C)CCC[N@@H+](C)CCN 629538401 347346281 /nfs/dbraw/zinc/34/62/81/347346281.db2.gz LXLZWIXAEOPZNT-NSHDSACASA-N 1 1 186.343 2.093 10 0 AEAEMO CCC[C@@H](C)CCC[N@H+](C)CCN 629538393 347346528 /nfs/dbraw/zinc/34/65/28/347346528.db2.gz LXLZWIXAEOPZNT-LLVKDONJSA-N 1 1 186.343 2.093 10 0 AEAEMO CCC[C@@H](C)CCC[N@@H+](C)CCN 629538393 347346530 /nfs/dbraw/zinc/34/65/30/347346530.db2.gz LXLZWIXAEOPZNT-LLVKDONJSA-N 1 1 186.343 2.093 10 0 AEAEMO CCC(C)(C)[C@H](C)N[C@@H]1CC[NH2+][C@H]1C 629546390 347347844 /nfs/dbraw/zinc/34/78/44/347347844.db2.gz PHHCRAYNOVEGJV-GARJFASQSA-N 1 1 198.354 2.151 10 0 AEAEMO CCC(C)(C)[C@@H](C)N[C@@H]1CC[NH2+][C@H]1C 629546393 347347861 /nfs/dbraw/zinc/34/78/61/347347861.db2.gz PHHCRAYNOVEGJV-HBNTYKKESA-N 1 1 198.354 2.151 10 0 AEAEMO C/C=C\C[C@H]1CCC[N@@H+](CCC[NH3+])C1 629595498 347351285 /nfs/dbraw/zinc/35/12/85/347351285.db2.gz QRZWOVZPIOXTFB-DLGQBQFBSA-N 1 1 196.338 2.013 10 0 AEAEMO C/C=C/C[C@@H]1CCC[N@@H+](CCC[NH3+])C1 629595500 347351311 /nfs/dbraw/zinc/35/13/11/347351311.db2.gz QRZWOVZPIOXTFB-QAVQXKDTSA-N 1 1 196.338 2.013 10 0 AEAEMO C/C=C\C[C@@H]1CCC[N@@H+](CCC[NH3+])C1 629595501 347351371 /nfs/dbraw/zinc/35/13/71/347351371.db2.gz QRZWOVZPIOXTFB-ZZKXABKFSA-N 1 1 196.338 2.013 10 0 AEAEMO C/C=C\C[C@@H]1CCC[N@@H+](C[C@H](C)N)C1 629595691 347351654 /nfs/dbraw/zinc/35/16/54/347351654.db2.gz UOOQKTBGYMXVPH-RRNNCXACSA-N 1 1 196.338 2.012 10 0 AEAEMO C/C=C\C[C@@H]1CCCN(C[C@H](C)[NH3+])C1 629595691 347351655 /nfs/dbraw/zinc/35/16/55/347351655.db2.gz UOOQKTBGYMXVPH-RRNNCXACSA-N 1 1 196.338 2.012 10 0 AEAEMO C/C=C/C[C@@H]1CCC[N@@H+](C[C@@H](C)N)C1 629595688 347351717 /nfs/dbraw/zinc/35/17/17/347351717.db2.gz UOOQKTBGYMXVPH-BLDJZWNYSA-N 1 1 196.338 2.012 10 0 AEAEMO C/C=C/C[C@@H]1CCCN(C[C@@H](C)[NH3+])C1 629595688 347351719 /nfs/dbraw/zinc/35/17/19/347351719.db2.gz UOOQKTBGYMXVPH-BLDJZWNYSA-N 1 1 196.338 2.012 10 0 AEAEMO C/C=C\C[C@@H]1CCC[N@@H+](C[C@@H](C)N)C1 629595690 347351769 /nfs/dbraw/zinc/35/17/69/347351769.db2.gz UOOQKTBGYMXVPH-OPVGQWETSA-N 1 1 196.338 2.012 10 0 AEAEMO C/C=C\C[C@@H]1CCCN(C[C@@H](C)[NH3+])C1 629595690 347351772 /nfs/dbraw/zinc/35/17/72/347351772.db2.gz UOOQKTBGYMXVPH-OPVGQWETSA-N 1 1 196.338 2.012 10 0 AEAEMO C/C=C/C[C@@H]1CCC[N@@H+](C[C@H](C)N)C1 629595689 347351939 /nfs/dbraw/zinc/35/19/39/347351939.db2.gz UOOQKTBGYMXVPH-HEKLCECKSA-N 1 1 196.338 2.012 10 0 AEAEMO C/C=C/C[C@@H]1CCCN(C[C@H](C)[NH3+])C1 629595689 347351941 /nfs/dbraw/zinc/35/19/41/347351941.db2.gz UOOQKTBGYMXVPH-HEKLCECKSA-N 1 1 196.338 2.012 10 0 AEAEMO C/C=C/C[C@H]1CCC[N@@H+](CCC[NH3+])C1 629595499 347351948 /nfs/dbraw/zinc/35/19/48/347351948.db2.gz QRZWOVZPIOXTFB-JDGPPOGSSA-N 1 1 196.338 2.013 10 0 AEAEMO CC(C)C[C@@H](C)CN[C@@H]1CC[NH2+][C@H]1C 629604281 347352452 /nfs/dbraw/zinc/35/24/52/347352452.db2.gz JBCTUBSNUUPHRB-GRYCIOLGSA-N 1 1 198.354 2.009 10 0 AEAEMO CC(C)C[C@H](C)CN[C@@H]1CC[NH2+][C@H]1C 629604282 347352535 /nfs/dbraw/zinc/35/25/35/347352535.db2.gz JBCTUBSNUUPHRB-SDDRHHMPSA-N 1 1 198.354 2.009 10 0 AEAEMO C[C@@H]1[NH2+]CC[C@H]1NC[C@@H](C)C(C)(C)C 629672833 347354715 /nfs/dbraw/zinc/35/47/15/347354715.db2.gz ZVGNJECZFBPKFU-OUAUKWLOSA-N 1 1 198.354 2.009 10 0 AEAEMO C[C@@H]1[NH2+]CC[C@H]1NC[C@H](C)C(C)(C)C 629672832 347354776 /nfs/dbraw/zinc/35/47/76/347354776.db2.gz ZVGNJECZFBPKFU-GARJFASQSA-N 1 1 198.354 2.009 10 0 AEAEMO CC[C@@H]1[NH2+]CC[C@H]1NCCCC(C)C 629654243 347354870 /nfs/dbraw/zinc/35/48/70/347354870.db2.gz OKZPOONVXKVBCE-NWDGAFQWSA-N 1 1 198.354 2.153 10 0 AEAEMO CC[C@@H]1[NH2+]CC[C@H]1NCCC(C)(C)C 629654849 347355241 /nfs/dbraw/zinc/35/52/41/347355241.db2.gz SLYSYPROISQSFQ-WDEREUQCSA-N 1 1 198.354 2.153 10 0 AEAEMO Cc1cncc(-c2c[nH+]c(C)n2C)c1 630053614 347359287 /nfs/dbraw/zinc/35/92/87/347359287.db2.gz RQMABWXZGFQSJM-UHFFFAOYSA-N 1 1 187.246 2.099 10 0 AEAEMO Cc1cnccc1-c1c[nH+]c(C)n1C 630051647 347359568 /nfs/dbraw/zinc/35/95/68/347359568.db2.gz QLLRRKPWQLICJP-UHFFFAOYSA-N 1 1 187.246 2.099 10 0 AEAEMO Cc1cn(Cc2cncs2)c(C)[nH+]1 631012901 347373714 /nfs/dbraw/zinc/37/37/14/347373714.db2.gz PVVMAYZZXNMGOC-UHFFFAOYSA-N 1 1 193.275 2.005 10 0 AEAEMO Cc1cn(CCCCF)c(C)[nH+]1 631012906 347373740 /nfs/dbraw/zinc/37/37/40/347373740.db2.gz AQUODLYFWPLQHH-UHFFFAOYSA-N 1 1 170.231 2.250 10 0 AEAEMO Cc1cn(C[C@@H]2C[C@@H]2C)c(C)[nH+]1 631011929 347373773 /nfs/dbraw/zinc/37/37/73/347373773.db2.gz DZXWUSAOVAFFLC-XVKPBYJWSA-N 1 1 164.252 2.156 10 0 AEAEMO COC(C)(C)CCn1cc(C)[nH+]c1C 631012865 347373815 /nfs/dbraw/zinc/37/38/15/347373815.db2.gz AOOFIYBFIQVZHJ-UHFFFAOYSA-N 1 1 196.294 2.315 10 0 AEAEMO Cc1cn(C[C@H]2C[C@@H]2C)c(C)[nH+]1 631011926 347373888 /nfs/dbraw/zinc/37/38/88/347373888.db2.gz DZXWUSAOVAFFLC-OIBJUYFYSA-N 1 1 164.252 2.156 10 0 AEAEMO Cc1cn(C[C@@H]2C[C@H]2C)c(C)[nH+]1 631011927 347373950 /nfs/dbraw/zinc/37/39/50/347373950.db2.gz DZXWUSAOVAFFLC-XCBNKYQSSA-N 1 1 164.252 2.156 10 0 AEAEMO CC[C@H](C)C(=O)Cn1cc(C)[nH+]c1C 631013839 347374583 /nfs/dbraw/zinc/37/45/83/347374583.db2.gz ZYJVBVNHBLTVMQ-QMMMGPOBSA-N 1 1 194.278 2.115 10 0 AEAEMO Cc1cn(CCC(F)(F)F)c(C)[nH+]1 631013063 347374587 /nfs/dbraw/zinc/37/45/87/347374587.db2.gz BNDHUCNBKXPSHD-UHFFFAOYSA-N 1 1 192.184 2.452 10 0 AEAEMO CC[C@@H](C)C(=O)Cn1cc(C)[nH+]c1C 631013836 347374680 /nfs/dbraw/zinc/37/46/80/347374680.db2.gz ZYJVBVNHBLTVMQ-MRVPVSSYSA-N 1 1 194.278 2.115 10 0 AEAEMO CCCCC(=O)Cn1cc(C)[nH+]c1C 631013061 347374745 /nfs/dbraw/zinc/37/47/45/347374745.db2.gz RUHYEIUNWTUBNP-UHFFFAOYSA-N 1 1 194.278 2.259 10 0 AEAEMO CCCCC(=O)Cn1cc[nH+]c1CC 631013523 347374883 /nfs/dbraw/zinc/37/48/83/347374883.db2.gz BHCGUDYZKSDKKB-UHFFFAOYSA-N 1 1 194.278 2.205 10 0 AEAEMO CCC(C)(C)CC[NH2+]Cc1ccn[nH]1 631207421 347379279 /nfs/dbraw/zinc/37/92/79/347379279.db2.gz UNERIQNRVNHOPA-UHFFFAOYSA-N 1 1 195.310 2.326 10 0 AEAEMO Cc1ccc(C[NH2+]CC2(F)CC2)o1 631243176 347380151 /nfs/dbraw/zinc/38/01/51/347380151.db2.gz UXCGGOFFXASPJW-UHFFFAOYSA-N 1 1 183.226 2.180 10 0 AEAEMO CC(C)CC[N@H+]1CCCCC[C@@H](N)C1 631831359 347387644 /nfs/dbraw/zinc/38/76/44/347387644.db2.gz BIBOVBRYXZTGDV-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)CC[N@H+]1CCCCC[C@H](N)C1 631831360 347388215 /nfs/dbraw/zinc/38/82/15/347388215.db2.gz BIBOVBRYXZTGDV-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCCCC[C@@H](N)C1 631832636 347388754 /nfs/dbraw/zinc/38/87/54/347388754.db2.gz KFIZLZMKLXAMJZ-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CCCCC[C@H](N)C1 631835418 347388778 /nfs/dbraw/zinc/38/87/78/347388778.db2.gz UDZPFTHWIVCOQS-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[C@@H](C)[N@H+]1CCCCC[C@H](N)C1 631835416 347388860 /nfs/dbraw/zinc/38/88/60/347388860.db2.gz UDZPFTHWIVCOQS-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCC[N@H+]1CCCCC[C@H](N)C1 631832073 347388928 /nfs/dbraw/zinc/38/89/28/347388928.db2.gz YATCIQOBYXEPDR-LBPRGKRZSA-N 1 1 198.354 2.380 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CCCCC[C@@H](N)C1 631832638 347389044 /nfs/dbraw/zinc/38/90/44/347389044.db2.gz KFIZLZMKLXAMJZ-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CCCCC[C@H](N)C1 631832635 347389292 /nfs/dbraw/zinc/38/92/92/347389292.db2.gz KFIZLZMKLXAMJZ-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCC[N@H+]1CCCCC[C@@H](N)C1 631832072 347389307 /nfs/dbraw/zinc/38/93/07/347389307.db2.gz YATCIQOBYXEPDR-GFCCVEGCSA-N 1 1 198.354 2.380 10 0 AEAEMO CCCCCN1CCCCC[C@@H]([NH3+])C1 631832072 347389310 /nfs/dbraw/zinc/38/93/10/347389310.db2.gz YATCIQOBYXEPDR-GFCCVEGCSA-N 1 1 198.354 2.380 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCCCC[C@H](N)C1 631832637 347389368 /nfs/dbraw/zinc/38/93/68/347389368.db2.gz KFIZLZMKLXAMJZ-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)[C@@H](C)[N@H+]1CCCCC[C@@H](N)C1 631835419 347389382 /nfs/dbraw/zinc/38/93/82/347389382.db2.gz UDZPFTHWIVCOQS-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CCCCC[C@@H](N)C1 631835417 347389402 /nfs/dbraw/zinc/38/94/02/347389402.db2.gz UDZPFTHWIVCOQS-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(C)(C)CC[N@H+]1C[C@H](N)C[C@H]1C 631860906 347392346 /nfs/dbraw/zinc/39/23/46/347392346.db2.gz RHVSTURBGOVYRS-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(C)(C)CC[N@H+]1C[C@H](N)C[C@@H]1C 631860909 347392519 /nfs/dbraw/zinc/39/25/19/347392519.db2.gz RHVSTURBGOVYRS-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(C)(C)CC[N@H+]1C[C@@H](N)C[C@H]1C 631860907 347392575 /nfs/dbraw/zinc/39/25/75/347392575.db2.gz RHVSTURBGOVYRS-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(C)(C)CC[N@H+]1C[C@@H](N)C[C@@H]1C 631860908 347392670 /nfs/dbraw/zinc/39/26/70/347392670.db2.gz RHVSTURBGOVYRS-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)C[N@@H+]1C[C@H]2COC[C@H]2C1 634746485 347427193 /nfs/dbraw/zinc/42/71/93/347427193.db2.gz YHQHOKQHYCNRGT-SDDRHHMPSA-N 1 1 197.322 2.001 10 0 AEAEMO CCC[C@@H](C)C[N@@H+]1C[C@H]2COC[C@H]2C1 634746486 347427570 /nfs/dbraw/zinc/42/75/70/347427570.db2.gz YHQHOKQHYCNRGT-UTUOFQBUSA-N 1 1 197.322 2.001 10 0 AEAEMO CCC[N@@H+](CC)Cc1ccns1 637812922 347463917 /nfs/dbraw/zinc/46/39/17/347463917.db2.gz FIPVSZGWCZLMKM-UHFFFAOYSA-N 1 1 184.308 2.375 10 0 AEAEMO CCC[N@@H+](C)C[C@@H](OC)[C@@H](C)CC 637891256 347467902 /nfs/dbraw/zinc/46/79/02/347467902.db2.gz FGZIGVYIEBTBQB-WDEREUQCSA-N 1 1 187.327 2.389 10 0 AEAEMO CCC[N@@H+](C)C[C@H](OC)[C@@H](C)CC 637891255 347468038 /nfs/dbraw/zinc/46/80/38/347468038.db2.gz FGZIGVYIEBTBQB-QWRGUYRKSA-N 1 1 187.327 2.389 10 0 AEAEMO CCC[N@@H+](C)C[C@H](OC)[C@H](C)CC 637891254 347468235 /nfs/dbraw/zinc/46/82/35/347468235.db2.gz FGZIGVYIEBTBQB-MNOVXSKESA-N 1 1 187.327 2.389 10 0 AEAEMO CCC[N@@H+](C)C[C@@H](OC)[C@H](C)CC 637891253 347468242 /nfs/dbraw/zinc/46/82/42/347468242.db2.gz FGZIGVYIEBTBQB-GHMZBOCLSA-N 1 1 187.327 2.389 10 0 AEAEMO CCC[C@@H](C[N@@H+](C)CC(C)C)OC 637893325 347468884 /nfs/dbraw/zinc/46/88/84/347468884.db2.gz HGMPYNXWYOEAET-NSHDSACASA-N 1 1 187.327 2.389 10 0 AEAEMO CCC[C@H](C[N@@H+](C)CC(C)C)OC 637893323 347469133 /nfs/dbraw/zinc/46/91/33/347469133.db2.gz HGMPYNXWYOEAET-LLVKDONJSA-N 1 1 187.327 2.389 10 0 AEAEMO CC[N@H+](Cc1ccns1)CC1CC1 638074465 347473606 /nfs/dbraw/zinc/47/36/06/347473606.db2.gz BKFNTUCJWLNDNF-UHFFFAOYSA-N 1 1 196.319 2.375 10 0 AEAEMO CC[C@](C)(C[N@@H+]1CC=C(C)CC1)OC 638093866 347474316 /nfs/dbraw/zinc/47/43/16/347474316.db2.gz FVWDIOWNLAVQQY-GFCCVEGCSA-N 1 1 197.322 2.454 10 0 AEAEMO CCC[C@@H](C[N@@H+]1C[C@@H](C)[C@@H](C)C1)OC 638092997 347474321 /nfs/dbraw/zinc/47/43/21/347474321.db2.gz HHPONEPRGXJIIU-TUAOUCFPSA-N 1 1 199.338 2.389 10 0 AEAEMO CCC[C@H](C[N@@H+]1C[C@@H](C)[C@@H](C)C1)OC 638092994 347474384 /nfs/dbraw/zinc/47/43/84/347474384.db2.gz HHPONEPRGXJIIU-GRYCIOLGSA-N 1 1 199.338 2.389 10 0 AEAEMO CCC[C@@H](C[N@@H+]1CC=C(C)CC1)OC 638093471 347474715 /nfs/dbraw/zinc/47/47/15/347474715.db2.gz DFMSIMBBUXGGKG-LBPRGKRZSA-N 1 1 197.322 2.454 10 0 AEAEMO CC[C@@](C)(C[N@@H+]1CC=C(C)CC1)OC 638093867 347474781 /nfs/dbraw/zinc/47/47/81/347474781.db2.gz FVWDIOWNLAVQQY-LBPRGKRZSA-N 1 1 197.322 2.454 10 0 AEAEMO CCC[C@H](C[N@@H+]1CC=C(C)CC1)OC 638093470 347474828 /nfs/dbraw/zinc/47/48/28/347474828.db2.gz DFMSIMBBUXGGKG-GFCCVEGCSA-N 1 1 197.322 2.454 10 0 AEAEMO CCC[C@@H]1C[C@H]1[NH2+]Cc1ncc(C)o1 638699895 347488935 /nfs/dbraw/zinc/48/89/35/347488935.db2.gz YBJIWJDCCBNYMS-NXEZZACHSA-N 1 1 194.278 2.261 10 0 AEAEMO CCC[C@H]1C[C@@H]1[NH2+]Cc1ncc(C)o1 638699896 347489105 /nfs/dbraw/zinc/48/91/05/347489105.db2.gz YBJIWJDCCBNYMS-UWVGGRQHSA-N 1 1 194.278 2.261 10 0 AEAEMO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ncc(C)o1 638699898 347489122 /nfs/dbraw/zinc/48/91/22/347489122.db2.gz YBJIWJDCCBNYMS-ZJUUUORDSA-N 1 1 194.278 2.261 10 0 AEAEMO CC[C@](C)(C[N@H+]1CCC=C(C)C1)OC 639132530 347502455 /nfs/dbraw/zinc/50/24/55/347502455.db2.gz CFRVGWVIPBXMSY-GFCCVEGCSA-N 1 1 197.322 2.454 10 0 AEAEMO CC[C@@](C)(C[N@H+]1CCC=C(C)C1)OC 639132532 347502542 /nfs/dbraw/zinc/50/25/42/347502542.db2.gz CFRVGWVIPBXMSY-LBPRGKRZSA-N 1 1 197.322 2.454 10 0 AEAEMO CCC[C@H](C[N@H+]1CCC=C(C)C1)OC 639132762 347502613 /nfs/dbraw/zinc/50/26/13/347502613.db2.gz FFGXAKRKXCIUSK-GFCCVEGCSA-N 1 1 197.322 2.454 10 0 AEAEMO CCC[C@H](C[NH2+]CC(C)(F)F)OC 639206871 347505123 /nfs/dbraw/zinc/50/51/23/347505123.db2.gz CQENZVLCRXNTRD-MRVPVSSYSA-N 1 1 195.253 2.046 10 0 AEAEMO CCC[C@@H](C[NH2+]CC(C)(F)F)OC 639206873 347505192 /nfs/dbraw/zinc/50/51/92/347505192.db2.gz CQENZVLCRXNTRD-QMMMGPOBSA-N 1 1 195.253 2.046 10 0 AEAEMO c1cc(C[N@H+]2CC[C@H]2C2CC2)sn1 639222588 347505875 /nfs/dbraw/zinc/50/58/75/347505875.db2.gz MHVRGGBHGFHKAV-JTQLQIEISA-N 1 1 194.303 2.127 10 0 AEAEMO C(C[C@@H]1CCO1)C[N@H+]1CC[C@H]1C1CC1 639222192 347505899 /nfs/dbraw/zinc/50/58/99/347505899.db2.gz IJMWYJSSQGEVJM-NEPJUHHUSA-N 1 1 195.306 2.040 10 0 AEAEMO C(C[C@H]1CCO1)C[N@H+]1CC[C@@H]1C1CC1 639222193 347505910 /nfs/dbraw/zinc/50/59/10/347505910.db2.gz IJMWYJSSQGEVJM-NWDGAFQWSA-N 1 1 195.306 2.040 10 0 AEAEMO C(C[C@@H]1CCO1)C[N@H+]1CC[C@@H]1C1CC1 639222195 347505927 /nfs/dbraw/zinc/50/59/27/347505927.db2.gz IJMWYJSSQGEVJM-VXGBXAGGSA-N 1 1 195.306 2.040 10 0 AEAEMO c1cc(C[N@H+]2CC[C@@H]2C2CC2)sn1 639222589 347505954 /nfs/dbraw/zinc/50/59/54/347505954.db2.gz MHVRGGBHGFHKAV-SNVBAGLBSA-N 1 1 194.303 2.127 10 0 AEAEMO C(C[C@H]1CCO1)C[N@H+]1CC[C@H]1C1CC1 639222194 347506117 /nfs/dbraw/zinc/50/61/17/347506117.db2.gz IJMWYJSSQGEVJM-RYUDHWBXSA-N 1 1 195.306 2.040 10 0 AEAEMO C1CC(C[N@@H+]2C[C@H]3C[C@H]3C2)CCS1 639346917 347512529 /nfs/dbraw/zinc/51/25/29/347512529.db2.gz FYIDATNIPMOUCV-PHIMTYICSA-N 1 1 197.347 2.081 10 0 AEAEMO C1C[C@@H]2C[C@@H]2C[C@H]1C[N@@H+]1C[C@H]2C[C@H]2C1 639347649 347512579 /nfs/dbraw/zinc/51/25/79/347512579.db2.gz JEVILFFMUMDEGF-FPYNETTCSA-N 1 1 191.318 2.374 10 0 AEAEMO C1C[C@@H]2C[C@@H]2C[C@@H]1C[N@@H+]1C[C@H]2C[C@H]2C1 639347650 347512729 /nfs/dbraw/zinc/51/27/29/347512729.db2.gz JEVILFFMUMDEGF-LBELIVKGSA-N 1 1 191.318 2.374 10 0 AEAEMO CCC(F)(F)C[NH+]1CCCC1 639443576 347518033 /nfs/dbraw/zinc/51/80/33/347518033.db2.gz NESSNZOLZSHKMD-UHFFFAOYSA-N 1 1 163.211 2.128 10 0 AEAEMO CC(=O)C[N@@H+](C)Cc1ccc(C)s1 639470384 347519711 /nfs/dbraw/zinc/51/97/11/347519711.db2.gz CECODHNPEDHFKL-UHFFFAOYSA-N 1 1 197.303 2.077 10 0 AEAEMO CC(=O)C[N@H+](C)Cc1ccc(C)s1 639470384 347519713 /nfs/dbraw/zinc/51/97/13/347519713.db2.gz CECODHNPEDHFKL-UHFFFAOYSA-N 1 1 197.303 2.077 10 0 AEAEMO CCC(F)(F)C[NH2+]C(C)(C)COC 639470366 347519891 /nfs/dbraw/zinc/51/98/91/347519891.db2.gz BPRQWTAWGHOYAI-UHFFFAOYSA-N 1 1 195.253 2.046 10 0 AEAEMO CC(=O)C[N@@H+]1[C@H]2CCCC[C@H]2C[C@H]1C 639496336 347520627 /nfs/dbraw/zinc/52/06/27/347520627.db2.gz FATJTIXLDPCQDO-USWWRNFRSA-N 1 1 195.306 2.228 10 0 AEAEMO CC(=O)C[N@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 639496339 347520728 /nfs/dbraw/zinc/52/07/28/347520728.db2.gz FATJTIXLDPCQDO-YUSALJHKSA-N 1 1 195.306 2.228 10 0 AEAEMO CC(=O)C[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 639496332 347520775 /nfs/dbraw/zinc/52/07/75/347520775.db2.gz FATJTIXLDPCQDO-ADEWGFFLSA-N 1 1 195.306 2.228 10 0 AEAEMO CC[C@]1(C)CCC[N@@H+](CC(C)=O)C1 639502609 347521112 /nfs/dbraw/zinc/52/11/12/347521112.db2.gz BNVBPQREFQXFCH-LLVKDONJSA-N 1 1 183.295 2.088 10 0 AEAEMO CCC[C@@]1(C)CCC[N@@H+](CC(C)=O)C1 639502247 347521302 /nfs/dbraw/zinc/52/13/02/347521302.db2.gz CKGGVBDGCDJTFO-LBPRGKRZSA-N 1 1 197.322 2.478 10 0 AEAEMO CC(=O)C[N@H+]1C[C@H](C)CCC[C@H]1C 639499149 347521345 /nfs/dbraw/zinc/52/13/45/347521345.db2.gz GGVYWZJGAZGSIN-NXEZZACHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(=O)C[N@H+]1C[C@@H](C)CCC[C@@H]1C 639499150 347521381 /nfs/dbraw/zinc/52/13/81/347521381.db2.gz GGVYWZJGAZGSIN-UWVGGRQHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(=O)C[N@H+]1C[C@@H](C)CCC[C@H]1C 639499151 347521418 /nfs/dbraw/zinc/52/14/18/347521418.db2.gz GGVYWZJGAZGSIN-VHSXEESVSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC[C@]1(C)CCC[N@@H+](CC(C)=O)C1 639502246 347521809 /nfs/dbraw/zinc/52/18/09/347521809.db2.gz CKGGVBDGCDJTFO-GFCCVEGCSA-N 1 1 197.322 2.478 10 0 AEAEMO CC(=O)C[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 639576664 347525465 /nfs/dbraw/zinc/52/54/65/347525465.db2.gz VLWBREBPSLWBHT-ZYHUDNBSSA-N 1 1 195.306 2.088 10 0 AEAEMO CC(=O)C[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 639576663 347525761 /nfs/dbraw/zinc/52/57/61/347525761.db2.gz VLWBREBPSLWBHT-PWSUYJOCSA-N 1 1 195.306 2.088 10 0 AEAEMO CC(=O)C[N@@H+]1CC[C@]2(CC[C@H](C)C2)C1 639576662 347525783 /nfs/dbraw/zinc/52/57/83/347525783.db2.gz VLWBREBPSLWBHT-JQWIXIFHSA-N 1 1 195.306 2.088 10 0 AEAEMO CC(=O)C[N@@H+]1CC[C@@]2(CC[C@H](C)C2)C1 639576661 347525830 /nfs/dbraw/zinc/52/58/30/347525830.db2.gz VLWBREBPSLWBHT-CMPLNLGQSA-N 1 1 195.306 2.088 10 0 AEAEMO CCC(F)(F)Cn1cc[nH+]c1C 639572583 347525895 /nfs/dbraw/zinc/52/58/95/347525895.db2.gz XBCMCICLLWIFDC-UHFFFAOYSA-N 1 1 174.194 2.237 10 0 AEAEMO CC(=O)C[N@H+](CC1CCC1)CC1CC1 639619437 347528847 /nfs/dbraw/zinc/52/88/47/347528847.db2.gz CVSNOCGWSFKOLU-UHFFFAOYSA-N 1 1 195.306 2.088 10 0 AEAEMO CCC(CC)[N@@H+](CC)CC(C)=O 639644809 347529463 /nfs/dbraw/zinc/52/94/63/347529463.db2.gz BPTGNGMVSCKJBF-UHFFFAOYSA-N 1 1 171.284 2.086 10 0 AEAEMO CC(=O)C[N@H+](C(C)C)C1CC(C)(C)C1 639674235 347532123 /nfs/dbraw/zinc/53/21/23/347532123.db2.gz POZCQHNAUKOAKI-UHFFFAOYSA-N 1 1 197.322 2.474 10 0 AEAEMO CC(=O)C[N@H+]1CCCC[C@@H]1C1CCC1 639698105 347532517 /nfs/dbraw/zinc/53/25/17/347532517.db2.gz GRHVEZBAOQDJDW-GFCCVEGCSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(=O)C[N@H+]1CCCC[C@H]1C1CCC1 639698106 347532820 /nfs/dbraw/zinc/53/28/20/347532820.db2.gz GRHVEZBAOQDJDW-LBPRGKRZSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC1(CC)CCC[N@@H+](CC(C)=O)C1 639823693 347536702 /nfs/dbraw/zinc/53/67/02/347536702.db2.gz COFBRYKTGZDTIX-UHFFFAOYSA-N 1 1 197.322 2.478 10 0 AEAEMO CC(=O)C[N@H+]1CCC[C@@H](C2CCC2)C1 639862117 347539355 /nfs/dbraw/zinc/53/93/55/347539355.db2.gz HSIDXKFUOLRLHG-GFCCVEGCSA-N 1 1 195.306 2.088 10 0 AEAEMO CC(=O)C[N@@H+](CCC1CC1)CC1CC1 639865514 347539395 /nfs/dbraw/zinc/53/93/95/347539395.db2.gz QJPXSLMFZOLULG-UHFFFAOYSA-N 1 1 195.306 2.088 10 0 AEAEMO CC(=O)C[N@H+]1CCC[C@H](C2CCC2)C1 639862119 347539462 /nfs/dbraw/zinc/53/94/62/347539462.db2.gz HSIDXKFUOLRLHG-LBPRGKRZSA-N 1 1 195.306 2.088 10 0 AEAEMO CC(C)CCC[N@H+]1CC[C@@H](O)C[C@H]1C 639938492 347540088 /nfs/dbraw/zinc/54/00/88/347540088.db2.gz AVNDXIJDZDUWII-VXGBXAGGSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H]1C[C@H](O)CC[N@H+]1CC1CCCC1 639939203 347540108 /nfs/dbraw/zinc/54/01/08/347540108.db2.gz YRRUKQDXCRSYJB-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1C[C@H](O)CC[N@H+]1CCC(C)(C)C 639938554 347540112 /nfs/dbraw/zinc/54/01/12/347540112.db2.gz CJDADZNWNYRJHX-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)=CCC[N@@H+]1CC[C@@H](O)C[C@H]1C 639938432 347540116 /nfs/dbraw/zinc/54/01/16/347540116.db2.gz XPIDPIDKPHGEFV-VXGBXAGGSA-N 1 1 197.322 2.188 10 0 AEAEMO C[C@@H]1C[C@H](O)CC[N@H+]1CCC1CCC1 639937720 347540202 /nfs/dbraw/zinc/54/02/02/347540202.db2.gz DMOLHWFCSVZECK-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1C[C@H](O)CC[N@H+]1CC1(C)CCC1 639938511 347540396 /nfs/dbraw/zinc/54/03/96/347540396.db2.gz BNDDIPAYLVPNQB-GHMZBOCLSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC(CC)C[N@H+]1CC[C@@H](O)C[C@H]1C 639938974 347540481 /nfs/dbraw/zinc/54/04/81/347540481.db2.gz SWZFIIHCNVLSPX-ZYHUDNBSSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@]1(O)CCC[N@H+]([C@H](C)C(C)C)C1 640035857 347543965 /nfs/dbraw/zinc/54/39/65/347543965.db2.gz OCQZQKVJHWTEBG-NEPJUHHUSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@]1(O)CCC[N@H+]([C@H](C)C(C)C)C1 640035860 347543551 /nfs/dbraw/zinc/54/35/51/347543551.db2.gz OCQZQKVJHWTEBG-VXGBXAGGSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@]1(O)CCC[N@H+]([C@@H](C)C(C)C)C1 640035859 347543673 /nfs/dbraw/zinc/54/36/73/347543673.db2.gz OCQZQKVJHWTEBG-RYUDHWBXSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@]1(O)CCC[N@H+]([C@@H](C)C(C)C)C1 640035858 347543856 /nfs/dbraw/zinc/54/38/56/347543856.db2.gz OCQZQKVJHWTEBG-NWDGAFQWSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@]1(C2CCCCC2)CC[N@H+]1CCO 640218200 347548368 /nfs/dbraw/zinc/54/83/68/347548368.db2.gz CYWDOYMVFKLPBJ-LBPRGKRZSA-N 1 1 197.322 2.023 10 0 AEAEMO C[C@]1(C2CCCCC2)CC[N@H+]1CCO 640218198 347548372 /nfs/dbraw/zinc/54/83/72/347548372.db2.gz CYWDOYMVFKLPBJ-GFCCVEGCSA-N 1 1 197.322 2.023 10 0 AEAEMO CCc1[nH+]ccn1CC(F)(F)CC 641471802 347573470 /nfs/dbraw/zinc/57/34/70/347573470.db2.gz FYLBLUMNIGFKBB-UHFFFAOYSA-N 1 1 188.221 2.491 10 0 AEAEMO CCOCC[N@H+]1CCC[C@H](CC)C1 642524417 347595095 /nfs/dbraw/zinc/59/50/95/347595095.db2.gz CHXXUPSMRRNHNT-NSHDSACASA-N 1 1 185.311 2.145 10 0 AEAEMO CCOCC[N@H+]1CCC[C@@H](CC)C1 642524416 347595262 /nfs/dbraw/zinc/59/52/62/347595262.db2.gz CHXXUPSMRRNHNT-LLVKDONJSA-N 1 1 185.311 2.145 10 0 AEAEMO CCOCC[N@@H+](CC)CC(C)C 642526644 347595404 /nfs/dbraw/zinc/59/54/04/347595404.db2.gz BZWQZUODNSPTRO-UHFFFAOYSA-N 1 1 173.300 2.001 10 0 AEAEMO CCC[N@@H+](C)Cc1ccc(C)o1 642620633 347597504 /nfs/dbraw/zinc/59/75/04/347597504.db2.gz DBKKDWPIAXRKTJ-UHFFFAOYSA-N 1 1 167.252 2.430 10 0 AEAEMO CO[C@H](CC(C)C)C[N@@H+](C)C1CC1 642679998 347599009 /nfs/dbraw/zinc/59/90/09/347599009.db2.gz AWNCLWSPIZVGDL-LLVKDONJSA-N 1 1 185.311 2.142 10 0 AEAEMO CO[C@@H](CC(C)C)C[N@@H+](C)C1CC1 642679999 347599187 /nfs/dbraw/zinc/59/91/87/347599187.db2.gz AWNCLWSPIZVGDL-NSHDSACASA-N 1 1 185.311 2.142 10 0 AEAEMO CC[C@@H](C[N@H+]1CCCC1(C)C)OC 642684757 347599762 /nfs/dbraw/zinc/59/97/62/347599762.db2.gz ATTXOQQTXAPRNP-JTQLQIEISA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@H](C[N@H+]1CCC[C@@H]1C1CC1)OC 642684999 347599783 /nfs/dbraw/zinc/59/97/83/347599783.db2.gz FVSDTXIHGQNKTL-VXGBXAGGSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@H](C[N@H+]1CCCC1(C)C)OC 642684758 347600093 /nfs/dbraw/zinc/60/00/93/347600093.db2.gz ATTXOQQTXAPRNP-SNVBAGLBSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@H](C[N@H+]1CCC[C@H]1C1CC1)OC 642684996 347600148 /nfs/dbraw/zinc/60/01/48/347600148.db2.gz FVSDTXIHGQNKTL-NEPJUHHUSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@@H](C[N@H+]1CCC[C@H]1C1CC1)OC 642684998 347600244 /nfs/dbraw/zinc/60/02/44/347600244.db2.gz FVSDTXIHGQNKTL-RYUDHWBXSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@@H](C[N@H+]1CCC[C@@H]1C1CC1)OC 642684997 347600264 /nfs/dbraw/zinc/60/02/64/347600264.db2.gz FVSDTXIHGQNKTL-NWDGAFQWSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@@H](C[N@H+]1CC[C@H](C(C)C)C1)OC 642693259 347600683 /nfs/dbraw/zinc/60/06/83/347600683.db2.gz BPHCLWDQLSMZIA-RYUDHWBXSA-N 1 1 199.338 2.389 10 0 AEAEMO CC[C@H](C[N@H+]1CC[C@H](C(C)C)C1)OC 642693258 347600689 /nfs/dbraw/zinc/60/06/89/347600689.db2.gz BPHCLWDQLSMZIA-NWDGAFQWSA-N 1 1 199.338 2.389 10 0 AEAEMO CC[C@@H](C[N@H+]1CC[C@@H](C(C)C)C1)OC 642693257 347600966 /nfs/dbraw/zinc/60/09/66/347600966.db2.gz BPHCLWDQLSMZIA-NEPJUHHUSA-N 1 1 199.338 2.389 10 0 AEAEMO CC[C@H](C[N@H+]1CC[C@@H](C(C)C)C1)OC 642693260 347601051 /nfs/dbraw/zinc/60/10/51/347601051.db2.gz BPHCLWDQLSMZIA-VXGBXAGGSA-N 1 1 199.338 2.389 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1CCOCC1CCC1 642705696 347601540 /nfs/dbraw/zinc/60/15/40/347601540.db2.gz ADSIIDSJMXJIAB-PHIMTYICSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@H](C[N@H+]1CCC=C(C)C1)OC 642705815 347601735 /nfs/dbraw/zinc/60/17/35/347601735.db2.gz HEXBNEBPLCMXNB-LLVKDONJSA-N 1 1 183.295 2.063 10 0 AEAEMO CC[C@H](C[N@@H+]1CC(C)=C[C@H](C)C1)OC 642705811 347601777 /nfs/dbraw/zinc/60/17/77/347601777.db2.gz GHLTWIADHYGURE-CMPLNLGQSA-N 1 1 197.322 2.309 10 0 AEAEMO CC[C@@H](C[N@H+]1CCC=C(C)C1)OC 642705817 347601823 /nfs/dbraw/zinc/60/18/23/347601823.db2.gz HEXBNEBPLCMXNB-NSHDSACASA-N 1 1 183.295 2.063 10 0 AEAEMO CC[C@H](C[N@H+]1CCC(C)=C(C)C1)OC 642705802 347601863 /nfs/dbraw/zinc/60/18/63/347601863.db2.gz CWOUAHZEVUNSCE-GFCCVEGCSA-N 1 1 197.322 2.454 10 0 AEAEMO CC[C@H](C[N@@H+]1CC(C)=C[C@@H](C)C1)OC 642705814 347601892 /nfs/dbraw/zinc/60/18/92/347601892.db2.gz GHLTWIADHYGURE-ZYHUDNBSSA-N 1 1 197.322 2.309 10 0 AEAEMO CC[C@@H](C[N@@H+]1CC(C)=C[C@H](C)C1)OC 642705812 347601940 /nfs/dbraw/zinc/60/19/40/347601940.db2.gz GHLTWIADHYGURE-JQWIXIFHSA-N 1 1 197.322 2.309 10 0 AEAEMO CO[C@H](CC(C)C)C[N@@H+]1CC=CCC1 642700399 347602013 /nfs/dbraw/zinc/60/20/13/347602013.db2.gz BEFOLRICCCEVSN-GFCCVEGCSA-N 1 1 197.322 2.309 10 0 AEAEMO CC[C@@H](C[N@@H+]1CC(C)=C[C@@H](C)C1)OC 642705813 347602163 /nfs/dbraw/zinc/60/21/63/347602163.db2.gz GHLTWIADHYGURE-PWSUYJOCSA-N 1 1 197.322 2.309 10 0 AEAEMO CC[C@@H](C[N@H+]1CCC(C)=C(C)C1)OC 642705803 347602231 /nfs/dbraw/zinc/60/22/31/347602231.db2.gz CWOUAHZEVUNSCE-LBPRGKRZSA-N 1 1 197.322 2.454 10 0 AEAEMO CO[C@@H](CC(C)C)C[N@@H+]1CC=CCC1 642700400 347602240 /nfs/dbraw/zinc/60/22/40/347602240.db2.gz BEFOLRICCCEVSN-LBPRGKRZSA-N 1 1 197.322 2.309 10 0 AEAEMO COCCCC[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C 642721929 347602549 /nfs/dbraw/zinc/60/25/49/347602549.db2.gz CCMGGEDMPKGXCG-SRVKXCTJSA-N 1 1 199.338 2.389 10 0 AEAEMO C[C@H]1C[N@@H+](CCOCC2CCC2)[C@H]1C 642709869 347602574 /nfs/dbraw/zinc/60/25/74/347602574.db2.gz RYROSAXVTRIMOR-QWRGUYRKSA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1CCOCC1CCC1 642709868 347602604 /nfs/dbraw/zinc/60/26/04/347602604.db2.gz RYROSAXVTRIMOR-MNOVXSKESA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@H]1C[N@@H+](CCOCC2CCC2)[C@@H]1C 642709870 347602652 /nfs/dbraw/zinc/60/26/52/347602652.db2.gz RYROSAXVTRIMOR-WDEREUQCSA-N 1 1 197.322 2.143 10 0 AEAEMO COCCCC[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C 642721927 347602661 /nfs/dbraw/zinc/60/26/61/347602661.db2.gz CCMGGEDMPKGXCG-QJPTWQEYSA-N 1 1 199.338 2.389 10 0 AEAEMO CC[C@H](C[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C)OC 642721946 347602706 /nfs/dbraw/zinc/60/27/06/347602706.db2.gz HVJNGKLIWHJMRC-WHOHXGKFSA-N 1 1 199.338 2.388 10 0 AEAEMO CC[C@H](C[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C)OC 642721943 347602931 /nfs/dbraw/zinc/60/29/31/347602931.db2.gz HVJNGKLIWHJMRC-FIQHERPVSA-N 1 1 199.338 2.388 10 0 AEAEMO C[C@@H]1C[N@@H+](CCOCC2CCC2)[C@@H]1C 642709867 347603085 /nfs/dbraw/zinc/60/30/85/347603085.db2.gz RYROSAXVTRIMOR-GHMZBOCLSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[C@H](C[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C)OC 642721944 347603125 /nfs/dbraw/zinc/60/31/25/347603125.db2.gz HVJNGKLIWHJMRC-IRCOFANPSA-N 1 1 199.338 2.388 10 0 AEAEMO COCCCC[N@H+]1C[C@H](C)[C@H](C)[C@H]1C 642721928 347603188 /nfs/dbraw/zinc/60/31/88/347603188.db2.gz CCMGGEDMPKGXCG-SDDRHHMPSA-N 1 1 199.338 2.389 10 0 AEAEMO CC[C@H](C[N@H+]1C[C@H](C)[C@H](C)[C@H]1C)OC 642721945 347603216 /nfs/dbraw/zinc/60/32/16/347603216.db2.gz HVJNGKLIWHJMRC-NNYUYHANSA-N 1 1 199.338 2.388 10 0 AEAEMO COCCCC[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C 642721930 347603242 /nfs/dbraw/zinc/60/32/42/347603242.db2.gz CCMGGEDMPKGXCG-TUAOUCFPSA-N 1 1 199.338 2.389 10 0 AEAEMO CC(C)OCC[N@H+]1C[C@H](C)[C@H](C)[C@H]1C 642722163 347603649 /nfs/dbraw/zinc/60/36/49/347603649.db2.gz CZYFPRVPTCIQNK-SDDRHHMPSA-N 1 1 199.338 2.388 10 0 AEAEMO C[C@@H]1C[N@@H+](CCCF)[C@@H](C)[C@H]1C 642722783 347603731 /nfs/dbraw/zinc/60/37/31/347603731.db2.gz BGVVGSNPYKGANW-UTLUCORTSA-N 1 1 173.275 2.322 10 0 AEAEMO CCOCCC[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C 642722961 347603763 /nfs/dbraw/zinc/60/37/63/347603763.db2.gz BOHRSPBQELGHMT-QJPTWQEYSA-N 1 1 199.338 2.389 10 0 AEAEMO CC(C)OCC[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C 642722165 347603792 /nfs/dbraw/zinc/60/37/92/347603792.db2.gz CZYFPRVPTCIQNK-TUAOUCFPSA-N 1 1 199.338 2.388 10 0 AEAEMO CC(C)OCC[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C 642722162 347603845 /nfs/dbraw/zinc/60/38/45/347603845.db2.gz CZYFPRVPTCIQNK-QJPTWQEYSA-N 1 1 199.338 2.388 10 0 AEAEMO C[C@@H]1C[N@@H+](CCCF)[C@H](C)[C@H]1C 642722781 347603902 /nfs/dbraw/zinc/60/39/02/347603902.db2.gz BGVVGSNPYKGANW-KXUCPTDWSA-N 1 1 173.275 2.322 10 0 AEAEMO C[C@@H]1C[N@@H+](CCCF)[C@H](C)[C@@H]1C 642722782 347603963 /nfs/dbraw/zinc/60/39/63/347603963.db2.gz BGVVGSNPYKGANW-OPRDCNLKSA-N 1 1 173.275 2.322 10 0 AEAEMO C[C@@H]1C[N@@H+](CCCF)[C@@H](C)[C@@H]1C 642722780 347604014 /nfs/dbraw/zinc/60/40/14/347604014.db2.gz BGVVGSNPYKGANW-BBBLOLIVSA-N 1 1 173.275 2.322 10 0 AEAEMO CC(C)OCC[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C 642722164 347604159 /nfs/dbraw/zinc/60/41/59/347604159.db2.gz CZYFPRVPTCIQNK-SRVKXCTJSA-N 1 1 199.338 2.388 10 0 AEAEMO CCOCCC[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C 642722964 347604191 /nfs/dbraw/zinc/60/41/91/347604191.db2.gz BOHRSPBQELGHMT-TUAOUCFPSA-N 1 1 199.338 2.389 10 0 AEAEMO CCOCCC[N@H+]1C[C@H](C)[C@H](C)[C@H]1C 642722962 347604319 /nfs/dbraw/zinc/60/43/19/347604319.db2.gz BOHRSPBQELGHMT-SDDRHHMPSA-N 1 1 199.338 2.389 10 0 AEAEMO CCOCCC[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C 642722963 347604335 /nfs/dbraw/zinc/60/43/35/347604335.db2.gz BOHRSPBQELGHMT-SRVKXCTJSA-N 1 1 199.338 2.389 10 0 AEAEMO c1coc(C[NH2+]Cc2ccoc2)c1 810254 351282614 /nfs/dbraw/zinc/28/26/14/351282614.db2.gz BUPXXWPLNUWCOS-UHFFFAOYSA-N 1 1 177.203 2.162 10 0 AEAEMO c1ccc([C@@H]2[NH2+]CCCS2)cc1 1693133 351294749 /nfs/dbraw/zinc/29/47/49/351294749.db2.gz DCEHAYVTEPURRJ-SNVBAGLBSA-N 1 1 179.288 2.412 10 0 AEAEMO c1ccc([C@H]2[NH2+]CCCS2)cc1 2043726 351303105 /nfs/dbraw/zinc/30/31/05/351303105.db2.gz DCEHAYVTEPURRJ-JTQLQIEISA-N 1 1 179.288 2.412 10 0 AEAEMO Cc1[nH+]c2cccc(C)n2c1C 5116317 351338586 /nfs/dbraw/zinc/33/85/86/351338586.db2.gz RHZCLGNRBBHEJF-UHFFFAOYSA-N 1 1 160.220 2.260 10 0 AEAEMO ONc1cc[nH+]c2ccccc12 5162797 351339961 /nfs/dbraw/zinc/33/99/61/351339961.db2.gz UPENJLLEQPCGBD-UHFFFAOYSA-N 1 1 160.176 2.036 10 0 AEAEMO C[C@@H]1CCC[N@H+]2CCCC[C@H]12 5369598 351342316 /nfs/dbraw/zinc/34/23/16/351342316.db2.gz VZEGBIWAIFLVJH-NXEZZACHSA-N 1 1 153.269 2.271 10 0 AEAEMO OC[C@@H]1CC[N@H+](C2CCCCCC2)C1 11892719 351361972 /nfs/dbraw/zinc/36/19/72/351361972.db2.gz QLIQMDKTXDDMIH-LLVKDONJSA-N 1 1 197.322 2.023 10 0 AEAEMO OC[C@H]1CC[N@H+](C2CCCCCC2)C1 11892721 351362056 /nfs/dbraw/zinc/36/20/56/351362056.db2.gz QLIQMDKTXDDMIH-NSHDSACASA-N 1 1 197.322 2.023 10 0 AEAEMO C[C@@H]1C[C@@H](C)[N@@H+]2CCC[C@@H]2C1 14616404 351374740 /nfs/dbraw/zinc/37/47/40/351374740.db2.gz UMRIPHXQBKNPEB-OPRDCNLKSA-N 1 1 153.269 2.269 10 0 AEAEMO c1cc2n(c1)CC[N@@H+]1CCCC[C@@H]21 15778465 351378733 /nfs/dbraw/zinc/37/87/33/351378733.db2.gz BQYWWNUDRTVLBX-JTQLQIEISA-N 1 1 176.263 2.029 10 0 AEAEMO c1cc2n(c1)CC[N@@H+]1CCCC[C@H]21 15778467 351378971 /nfs/dbraw/zinc/37/89/71/351378971.db2.gz BQYWWNUDRTVLBX-SNVBAGLBSA-N 1 1 176.263 2.029 10 0 AEAEMO C[C@@H]1CCC[N@@H+](C[C@@H](N)C(C)(C)C)C1 23069374 351414828 /nfs/dbraw/zinc/41/48/28/351414828.db2.gz OTXAXGQDBQKJMX-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1C=C[C@@H]2CCC[N@H+]2[C@@H]1C 34568127 351442523 /nfs/dbraw/zinc/44/25/23/351442523.db2.gz PVOBNHWHKLUQMY-BBBLOLIVSA-N 1 1 151.253 2.045 10 0 AEAEMO C[C@@H]1CCC[N@@H+](CC(=O)C(C)(C)C)C1 34988877 351446701 /nfs/dbraw/zinc/44/67/01/351446701.db2.gz DZDCJEQFGVNXLH-SNVBAGLBSA-N 1 1 197.322 2.334 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1CC(=O)C(C)(C)C 34989804 351446890 /nfs/dbraw/zinc/44/68/90/351446890.db2.gz XWIWAYHNLYVMCY-SNVBAGLBSA-N 1 1 197.322 2.476 10 0 AEAEMO C[C@@H]1C[C@@H]2CCC[N@H+]2[C@H](C)C1 36466787 351457765 /nfs/dbraw/zinc/45/77/65/351457765.db2.gz UMRIPHXQBKNPEB-AEJSXWLSSA-N 1 1 153.269 2.269 10 0 AEAEMO CC[C@@H](C)[N@H+]1Cc2cccc(N)c2C1 36683601 351458778 /nfs/dbraw/zinc/45/87/78/351458778.db2.gz HPDZCPMOASVVNY-SECBINFHSA-N 1 1 190.290 2.383 10 0 AEAEMO CC(C)CNc1ccc(N(C)C)[nH+]c1 36988866 351462166 /nfs/dbraw/zinc/46/21/66/351462166.db2.gz RPSBLANDZRNOJE-UHFFFAOYSA-N 1 1 193.294 2.216 10 0 AEAEMO CC[C@@H](C)Nc1ccc[nH+]c1N(C)C 37028834 351462286 /nfs/dbraw/zinc/46/22/86/351462286.db2.gz NJIBAZVJSYTFDG-SECBINFHSA-N 1 1 193.294 2.358 10 0 AEAEMO CC(C)CNc1ccc[nH+]c1N(C)C 37028690 351462690 /nfs/dbraw/zinc/46/26/90/351462690.db2.gz JGHTXMRFWHJRTD-UHFFFAOYSA-N 1 1 193.294 2.216 10 0 AEAEMO C[C@@H]1CCC[C@@H]([N@H+]2CCC(=O)C2)[C@@H]1C 37240018 351464031 /nfs/dbraw/zinc/46/40/31/351464031.db2.gz VEJKUIFNDIFPKO-CKYFFXLPSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@@H]1CCC[C@H]([N@H+]2CCC(=O)C2)[C@@H]1C 37240014 351464573 /nfs/dbraw/zinc/46/45/73/351464573.db2.gz VEJKUIFNDIFPKO-FOGDFJRCSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@@H]1CCC[N@H+]([C@@H]2CCCCC2=O)C1 37332550 351465418 /nfs/dbraw/zinc/46/54/18/351465418.db2.gz ZODWBUHLIJDQRC-GHMZBOCLSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)C[N@@H+](C)[C@H]1CCCCC1=O 37335681 351465664 /nfs/dbraw/zinc/46/56/64/351465664.db2.gz VSJBFRVMFKVBEI-JTQLQIEISA-N 1 1 183.295 2.086 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1[C@@H]1CCCCC1=O 37332280 351465807 /nfs/dbraw/zinc/46/58/07/351465807.db2.gz OHQGQHKPKPMMIJ-GHMZBOCLSA-N 1 1 195.306 2.373 10 0 AEAEMO CC(C)C[N@@H+](C)[C@@H]1CCCCC1=O 37335679 351465855 /nfs/dbraw/zinc/46/58/55/351465855.db2.gz VSJBFRVMFKVBEI-SNVBAGLBSA-N 1 1 183.295 2.086 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1CC1(N)CCCC1 37479561 351468778 /nfs/dbraw/zinc/46/87/78/351468778.db2.gz HQBACVWZWBPLMZ-LLVKDONJSA-N 1 1 196.338 2.132 10 0 AEAEMO C[C@@H]1CCCCN1CC1([NH3+])CCCC1 37479561 351468782 /nfs/dbraw/zinc/46/87/82/351468782.db2.gz HQBACVWZWBPLMZ-LLVKDONJSA-N 1 1 196.338 2.132 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1[C@@H]1CCCC[C@@H]1O 37490837 351470064 /nfs/dbraw/zinc/47/00/64/351470064.db2.gz RFDQFDHESCZKEG-UTUOFQBUSA-N 1 1 197.322 2.164 10 0 AEAEMO CC(C)C[N@@H+](C)[C@@H]1CCCCCC1=O 37661073 351470678 /nfs/dbraw/zinc/47/06/78/351470678.db2.gz XLYBPCQIWNJKJJ-LLVKDONJSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(C)C[N@@H+](C)[C@H]1CCCCCC1=O 37661074 351471250 /nfs/dbraw/zinc/47/12/50/351471250.db2.gz XLYBPCQIWNJKJJ-NSHDSACASA-N 1 1 197.322 2.476 10 0 AEAEMO C[C@@H]1CCC[N@H+]1Cc1ccccc1N 37909911 351475241 /nfs/dbraw/zinc/47/52/41/351475241.db2.gz CNKDXWGNAXIOBZ-SNVBAGLBSA-N 1 1 190.290 2.253 10 0 AEAEMO C[C@@H]1CCC[N@H+]1CC(=O)C(C)(C)C 37911542 351475308 /nfs/dbraw/zinc/47/53/08/351475308.db2.gz XFKHXWSBGQXREB-SECBINFHSA-N 1 1 183.295 2.086 10 0 AEAEMO C[C@@H]1CCC[N@H+]1[C@@H]1CCCCC[C@@H]1N 37910645 351475906 /nfs/dbraw/zinc/47/59/06/351475906.db2.gz GEWRPYICQATRRN-GRYCIOLGSA-N 1 1 196.338 2.131 10 0 AEAEMO C[C@@H]1CCC[N@@H+]1CC1(N)CCCCC1 37911192 351476067 /nfs/dbraw/zinc/47/60/67/351476067.db2.gz UCDVNUBIAPRTLS-LLVKDONJSA-N 1 1 196.338 2.132 10 0 AEAEMO C[C@@H]1CCC[N@H+]1CC1(N)CCCCC1 37911192 351476070 /nfs/dbraw/zinc/47/60/70/351476070.db2.gz UCDVNUBIAPRTLS-LLVKDONJSA-N 1 1 196.338 2.132 10 0 AEAEMO CC[C@@H](C)c1cc[nH+]c(N)c1 39048627 351485214 /nfs/dbraw/zinc/48/52/14/351485214.db2.gz NHRKUBRLJCKFRW-SSDOTTSWSA-N 1 1 150.225 2.177 10 0 AEAEMO C[C@@H]1CCC[C@@H]2CCC[N@@H+]12 39078457 351489093 /nfs/dbraw/zinc/48/90/93/351489093.db2.gz ABPWFSWOJBTVFX-RKDXNWHRSA-N 1 1 139.242 2.023 10 0 AEAEMO C[C@@H]1C[C@@H]2C[C@@H]3CCC[N@H+]3[C@@H]2C1 39111772 351491424 /nfs/dbraw/zinc/49/14/24/351491424.db2.gz WDRAMSRDAZZPJE-CHWFTXMASA-N 1 1 165.280 2.269 10 0 AEAEMO C[C@@H]1C[C@@H]2C[C@@H]3CCC[C@@H]3[N@H+]2C1 39111799 351491575 /nfs/dbraw/zinc/49/15/75/351491575.db2.gz NMZCHFRKAIIVEH-YTWAJWBKSA-N 1 1 165.280 2.269 10 0 AEAEMO C[C@@H]1CC[C@@H]2C[C@H]3CCC[C@H]3[N@@H+]12 39111766 351491654 /nfs/dbraw/zinc/49/16/54/351491654.db2.gz ADSVKMQWZMHCPN-GWOFURMSSA-N 1 1 165.280 2.412 10 0 AEAEMO C[C@@H]1CC[C@@H]2C[C@H]3CCC[N@H+]3[C@H]12 39111780 351491685 /nfs/dbraw/zinc/49/16/85/351491685.db2.gz ZCPZOFXJOYHUJW-GWOFURMSSA-N 1 1 165.280 2.269 10 0 AEAEMO c1cc2[nH+]ccc3[nH]oc(c1)c32 39113016 351491769 /nfs/dbraw/zinc/49/17/69/351491769.db2.gz KEUKGDVLLQSVLH-UHFFFAOYSA-N 1 1 158.160 2.309 10 0 AEAEMO C[C@@H]1c2sccc2CC[N@@H+]1C 39123422 351494712 /nfs/dbraw/zinc/49/47/12/351494712.db2.gz MWVDOIYOOUPDCD-SSDOTTSWSA-N 1 1 167.277 2.297 10 0 AEAEMO C[C@@H]1CC[N@@H+](Cc2ccccc2N)C1 40716908 351510163 /nfs/dbraw/zinc/51/01/63/351510163.db2.gz ZOSXWZNYSBXVEP-SNVBAGLBSA-N 1 1 190.290 2.111 10 0 AEAEMO C[C@@H]([C@@H](C)N)[N@@H+](C)C1CCCCCC1 41053871 351515923 /nfs/dbraw/zinc/51/59/23/351515923.db2.gz JGJFTQUZGRINMK-MNOVXSKESA-N 1 1 198.354 2.377 10 0 AEAEMO C[C@@H]1CNC(C)(C)C[N@H+]1C1CCCC1 41207427 351518194 /nfs/dbraw/zinc/51/81/94/351518194.db2.gz QFLOSHFDJTXVQO-SNVBAGLBSA-N 1 1 196.338 2.001 10 0 AEAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)C(C)(C)CN 42606921 351523711 /nfs/dbraw/zinc/52/37/11/351523711.db2.gz BUBKGVPYFXDTEG-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC(C)(C)O 42609657 351524025 /nfs/dbraw/zinc/52/40/25/351524025.db2.gz MYFYSUPDAYFANX-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)C(C)(C)CN 42606923 351524227 /nfs/dbraw/zinc/52/42/27/351524227.db2.gz BUBKGVPYFXDTEG-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@@H](C)[N@@H+](C)CCCCO 42589381 351524249 /nfs/dbraw/zinc/52/42/49/351524249.db2.gz ZZWXMOYDYSKLAL-LLVKDONJSA-N 1 1 187.327 2.125 10 0 AEAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(C)(C)N 42611029 351524278 /nfs/dbraw/zinc/52/42/78/351524278.db2.gz IHVIOCCASACVFU-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC(C)(C)N 42611033 351524368 /nfs/dbraw/zinc/52/43/68/351524368.db2.gz IHVIOCCASACVFU-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)CCCCO 42589384 351524447 /nfs/dbraw/zinc/52/44/47/351524447.db2.gz ZZWXMOYDYSKLAL-NSHDSACASA-N 1 1 187.327 2.125 10 0 AEAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(C)(C)O 42609655 351524536 /nfs/dbraw/zinc/52/45/36/351524536.db2.gz MYFYSUPDAYFANX-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H]1CC[N@H+]([C@@H]([C@@H](C)N)C(C)(C)C)C1 43293237 351526720 /nfs/dbraw/zinc/52/67/20/351526720.db2.gz FXURRWMMOJXTKX-MXWKQRLJSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)CSc1cc(N)cc[nH+]1 43569713 351532070 /nfs/dbraw/zinc/53/20/70/351532070.db2.gz VQAHOCWAYDYPIR-UHFFFAOYSA-N 1 1 182.292 2.412 10 0 AEAEMO C[C@@H]([C@@H](C)O)[N@@H+](C)C1CCCCC1 44120994 351535234 /nfs/dbraw/zinc/53/52/34/351535234.db2.gz ASQLDRYSGDZWFV-VHSXEESVSA-N 1 1 185.311 2.020 10 0 AEAEMO CC(C)C[N@@H+](C)[C@@H]1C[C@@H](C)CC[C@@H]1O 44129564 351536622 /nfs/dbraw/zinc/53/66/22/351536622.db2.gz AQSVRXLJOPQPCT-TUAOUCFPSA-N 1 1 199.338 2.124 10 0 AEAEMO C[C@@H]1CC[N@H+]2[C@H]3CCC[C@@H]3C[C@H]12 45809927 351543167 /nfs/dbraw/zinc/54/31/67/351543167.db2.gz PYDPXKNPCBQXMM-CHWFTXMASA-N 1 1 165.280 2.269 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CCC(=O)[C@@H](C)C1 49693715 351548246 /nfs/dbraw/zinc/54/82/46/351548246.db2.gz OVMSMEIMQPRSDB-QWRGUYRKSA-N 1 1 197.322 2.332 10 0 AEAEMO OCC[C@H]1CCCC[N@H+]1C1CCCC1 50104890 351552093 /nfs/dbraw/zinc/55/20/93/351552093.db2.gz AWGUXAUMUIJDFI-GFCCVEGCSA-N 1 1 197.322 2.166 10 0 AEAEMO CC[C@@H](C)Oc1ccc(C)[nH+]c1N 50440945 351554564 /nfs/dbraw/zinc/55/45/64/351554564.db2.gz UDGSQTXMQTWEQC-MRVPVSSYSA-N 1 1 180.251 2.150 10 0 AEAEMO C[C@@H]1CCC[N@@H+](CC(C)(C)CO)[C@@H]1C 51293862 351556776 /nfs/dbraw/zinc/55/67/76/351556776.db2.gz VTNWUNYFCLONMW-GHMZBOCLSA-N 1 1 199.338 2.125 10 0 AEAEMO C[N@@H+](Cc1ccnc(Cl)c1)C1CC1 51606233 351557604 /nfs/dbraw/zinc/55/76/04/351557604.db2.gz BATRNBWAYMJXHT-UHFFFAOYSA-N 1 1 196.681 2.329 10 0 AEAEMO C[C@@H]1CC[N@H+](CC(C)(C)CN)[C@H](C)C1 51748476 351559529 /nfs/dbraw/zinc/55/95/29/351559529.db2.gz MXKCWCGOIMOZLA-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1CC[N@@H+](CC(C)(C)CN)[C@H](C)C1 51748476 351559530 /nfs/dbraw/zinc/55/95/30/351559530.db2.gz MXKCWCGOIMOZLA-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](C)N(C)c1[nH+]cc(N)cc1C 52812614 351567568 /nfs/dbraw/zinc/56/75/68/351567568.db2.gz AAAYVMCPFSXBED-SECBINFHSA-N 1 1 193.294 2.207 10 0 AEAEMO C[C@@H]1C[C@H]1n1c[nH+]c2cc(N)ccc21 52853491 351568516 /nfs/dbraw/zinc/56/85/16/351568516.db2.gz OBOSGLDTTHFLNI-RDDDGLTNSA-N 1 1 187.246 2.199 10 0 AEAEMO C[C@@H]1C[C@@H]1n1c[nH+]c2cc(N)ccc21 52853488 351568598 /nfs/dbraw/zinc/56/85/98/351568598.db2.gz OBOSGLDTTHFLNI-HQJQHLMTSA-N 1 1 187.246 2.199 10 0 AEAEMO C[C@@H]1CCCC[N@@H+]1[C@@H]1CCCCNC1 54134833 351571317 /nfs/dbraw/zinc/57/13/17/351571317.db2.gz OFOCAUPIPHAXNG-VXGBXAGGSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1[C@@H]1CCCCNC1 54134833 351571320 /nfs/dbraw/zinc/57/13/20/351571320.db2.gz OFOCAUPIPHAXNG-VXGBXAGGSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@@H]1C[C@@H]([N@@H+](C)CCN)CC(C)(C)C1 54417019 351572898 /nfs/dbraw/zinc/57/28/98/351572898.db2.gz NOJHPZYAIYTMNO-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1C[C@@H](N(C)CC[NH3+])CC(C)(C)C1 54417019 351572902 /nfs/dbraw/zinc/57/29/02/351572902.db2.gz NOJHPZYAIYTMNO-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1C[C@H]([N@@H+](C)CCN)CC(C)(C)C1 54417017 351572946 /nfs/dbraw/zinc/57/29/46/351572946.db2.gz NOJHPZYAIYTMNO-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1C[C@H](N(C)CC[NH3+])CC(C)(C)C1 54417017 351572949 /nfs/dbraw/zinc/57/29/49/351572949.db2.gz NOJHPZYAIYTMNO-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H](C)CNc1ccc(N)[nH+]c1 54466726 351573413 /nfs/dbraw/zinc/57/34/13/351573413.db2.gz HFYLABNMPKLIAK-MRVPVSSYSA-N 1 1 179.267 2.122 10 0 AEAEMO C[C@@H]1CCNCC[N@H+]1C1CCCCC1 62567958 351588557 /nfs/dbraw/zinc/58/85/57/351588557.db2.gz NMFWKYICUCTNAB-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO C[C@@H]1C[N@@H+](C2CCCC2)C(C)(C)CN1 62567932 351588623 /nfs/dbraw/zinc/58/86/23/351588623.db2.gz GWSZDSKJGBTNGD-SNVBAGLBSA-N 1 1 196.338 2.001 10 0 AEAEMO CC(C)C[N@H+]1CC(C)(C)NCC1(C)C 62568315 351588632 /nfs/dbraw/zinc/58/86/32/351588632.db2.gz QEEVUFCVZLDHEP-UHFFFAOYSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCCN[C@H](C(C)C)C1 62568396 351588963 /nfs/dbraw/zinc/58/89/63/351588963.db2.gz DNXSJRUKVZOMGY-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)N1CCC[NH2+][C@H](C(C)C)C1 62568396 351588967 /nfs/dbraw/zinc/58/89/67/351588967.db2.gz DNXSJRUKVZOMGY-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[N@H+]1CC(C)(C)NCC1(C)C 62568320 351588985 /nfs/dbraw/zinc/58/89/85/351588985.db2.gz IEVAKJXIKGDVRV-SNVBAGLBSA-N 1 1 198.354 2.247 10 0 AEAEMO C[C@@H]1C[N@H+](C2CCCCC2)[C@H](C)CN1 62567925 351589016 /nfs/dbraw/zinc/58/90/16/351589016.db2.gz ZPZCODDWOPZQJW-GHMZBOCLSA-N 1 1 196.338 2.001 10 0 AEAEMO CC(C)C[N@H+]1CCC[C@@H]1c1cc[nH]n1 72361118 351619602 /nfs/dbraw/zinc/61/96/02/351619602.db2.gz YRYYYGFPDXCDMR-LLVKDONJSA-N 1 1 193.294 2.203 10 0 AEAEMO CC(C)C[N@H+]1CCC[C@H]1c1cc[nH]n1 72361119 351619957 /nfs/dbraw/zinc/61/99/57/351619957.db2.gz YRYYYGFPDXCDMR-NSHDSACASA-N 1 1 193.294 2.203 10 0 AEAEMO CC[N@H+]1CCc2ccc(OC)cc2C1 74448323 351620883 /nfs/dbraw/zinc/62/08/83/351620883.db2.gz CSTOTIUMRGKITH-UHFFFAOYSA-N 1 1 191.274 2.073 10 0 AEAEMO CC[C@@H](C)c1ccc(N)[nH+]c1 82408369 351638170 /nfs/dbraw/zinc/63/81/70/351638170.db2.gz UCVHBDLBWYVDRW-SSDOTTSWSA-N 1 1 150.225 2.177 10 0 AEAEMO c1[nH]c2ccc(N3CCCC3)cc2[nH+]1 89195168 351661808 /nfs/dbraw/zinc/66/18/08/351661808.db2.gz APZDRBPCYOOGAF-UHFFFAOYSA-N 1 1 187.246 2.163 10 0 AEAEMO c1cc2[nH+]cn3ccoc(c1)c23 95922943 351675630 /nfs/dbraw/zinc/67/56/30/351675630.db2.gz PBMYPJNJTOIIQN-UHFFFAOYSA-N 1 1 158.160 2.081 10 0 AEAEMO C[C@@H]1[NH2+]C=Cc2ccsc21 100290453 351694363 /nfs/dbraw/zinc/69/43/63/351694363.db2.gz LQKJXDMRVCRIHY-LURJTMIESA-N 1 1 151.234 2.383 10 0 AEAEMO c1ccc2c(c1)NCC[C@H]2c1[nH]cc[nH+]1 114548615 351724039 /nfs/dbraw/zinc/72/40/39/351724039.db2.gz LELSSYDOWXMCEK-SNVBAGLBSA-N 1 1 199.257 2.357 10 0 AEAEMO c1ccc2c(c1)NCC[C@@H]2c1[nH]cc[nH+]1 114548617 351724206 /nfs/dbraw/zinc/72/42/06/351724206.db2.gz LELSSYDOWXMCEK-JTQLQIEISA-N 1 1 199.257 2.357 10 0 AEAEMO CC(C)=CCn1c[nH+]c(C)c1C 123478151 351728866 /nfs/dbraw/zinc/72/88/66/351728866.db2.gz CAPFGFPOIXIEJV-UHFFFAOYSA-N 1 1 164.252 2.466 10 0 AEAEMO FC(F)CNc1cc[nH+]cc1Cl 131917081 351736950 /nfs/dbraw/zinc/73/69/50/351736950.db2.gz MMFAEXUONDUQAH-UHFFFAOYSA-N 1 1 192.596 2.412 10 0 AEAEMO c1ccc2c(c1)C[N@H+]1CCC[C@@H]1N2 138100565 351742069 /nfs/dbraw/zinc/74/20/69/351742069.db2.gz XQMMPTZRCXQKAM-LLVKDONJSA-N 1 1 174.247 2.034 10 0 AEAEMO c1ccc2c(c1)C[N@H+]1CCC[C@H]1N2 138100662 351742177 /nfs/dbraw/zinc/74/21/77/351742177.db2.gz XQMMPTZRCXQKAM-NSHDSACASA-N 1 1 174.247 2.034 10 0 AEAEMO C[C@@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1 145467347 351748578 /nfs/dbraw/zinc/74/85/78/351748578.db2.gz BEYLKWAGURZOQY-OPRDCNLKSA-N 1 1 153.269 2.127 10 0 AEAEMO c1ccc2c(c1)CC(N1CCCC1)=[NH+]2 149755021 351749653 /nfs/dbraw/zinc/74/96/53/351749653.db2.gz GCPSUVVWJZOEJT-UHFFFAOYSA-N 1 1 186.258 2.369 10 0 AEAEMO CC(C)[C@@H]1[NH2+][C@H]1c1ccccc1 199486482 351779272 /nfs/dbraw/zinc/77/92/72/351779272.db2.gz FBPLCKGWKGGAQI-QWRGUYRKSA-N 1 1 161.248 2.356 10 0 AEAEMO C[C@@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C 202458624 351782506 /nfs/dbraw/zinc/78/25/06/351782506.db2.gz AMUFHGXJNCCCJW-DTORHVGOSA-N 1 1 155.285 2.373 10 0 AEAEMO CCCCCN1CCC([NH+](C)C)CC1 205229223 351784631 /nfs/dbraw/zinc/78/46/31/351784631.db2.gz ACKCGJXXUWGNRT-UHFFFAOYSA-N 1 1 198.354 2.203 10 0 AEAEMO CCCCC[NH+]1CCC(N(C)C)CC1 205229223 351784632 /nfs/dbraw/zinc/78/46/32/351784632.db2.gz ACKCGJXXUWGNRT-UHFFFAOYSA-N 1 1 198.354 2.203 10 0 AEAEMO c1[nH]c2ccc(NCC3CC3)cc2[nH+]1 211929079 351785929 /nfs/dbraw/zinc/78/59/29/351785929.db2.gz IQIRXKOIZHLMKH-UHFFFAOYSA-N 1 1 187.246 2.385 10 0 AEAEMO C[C@@H]1CC[C@@H]2C[C@@H]3CCC[C@@H]3[N@@H+]12 216013382 351787338 /nfs/dbraw/zinc/78/73/38/351787338.db2.gz ADSVKMQWZMHCPN-YTWAJWBKSA-N 1 1 165.280 2.412 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCC(=O)[C@@H](C)C1 219736515 351791028 /nfs/dbraw/zinc/79/10/28/351791028.db2.gz HGIMIRASIMPTEP-UWVGGRQHSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCC(=O)[C@@H](C)C1 219736454 351791359 /nfs/dbraw/zinc/79/13/59/351791359.db2.gz HGIMIRASIMPTEP-VHSXEESVSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)C[C@@H](C)[N@H+]1CCC(=O)[C@@H](C)C1 219737919 351791504 /nfs/dbraw/zinc/79/15/04/351791504.db2.gz OVMSMEIMQPRSDB-WDEREUQCSA-N 1 1 197.322 2.332 10 0 AEAEMO CCC(C)(C)[N@H+](C)[C@@H]1CC[C@@H](C)NC1 225984834 351801528 /nfs/dbraw/zinc/80/15/28/351801528.db2.gz FNCTYBKCIDTEDP-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@@H]1CC[C@@H](C)NC1 225984834 351801530 /nfs/dbraw/zinc/80/15/30/351801530.db2.gz FNCTYBKCIDTEDP-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(C)(C)[N@H+](C)[C@H]1CC[C@@H](C)NC1 225984846 351801703 /nfs/dbraw/zinc/80/17/03/351801703.db2.gz FNCTYBKCIDTEDP-MNOVXSKESA-N 1 1 198.354 2.247 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@H]1CC[C@@H](C)NC1 225984846 351801705 /nfs/dbraw/zinc/80/17/05/351801705.db2.gz FNCTYBKCIDTEDP-MNOVXSKESA-N 1 1 198.354 2.247 10 0 AEAEMO CC(C)C[C@@H](C)[N@H+]1CCC(=O)[C@H](C)C1 251818396 351836504 /nfs/dbraw/zinc/83/65/04/351836504.db2.gz OVMSMEIMQPRSDB-GHMZBOCLSA-N 1 1 197.322 2.332 10 0 AEAEMO C[C@@H]1CC[N@H+]2[C@@H]3CCC[C@H]3C[C@H]12 256440593 351848511 /nfs/dbraw/zinc/84/85/11/351848511.db2.gz PYDPXKNPCBQXMM-LMLFDSFASA-N 1 1 165.280 2.269 10 0 AEAEMO C[C@@H]1C[C@@H]2C[C@H]3CCC[C@H]3[N@H+]2C1 256434757 351848537 /nfs/dbraw/zinc/84/85/37/351848537.db2.gz NMZCHFRKAIIVEH-GWOFURMSSA-N 1 1 165.280 2.269 10 0 AEAEMO C[C@@H]1CC[C@@H]2C[C@@H]3CCC[C@H]3[N@@H+]12 256403099 351848546 /nfs/dbraw/zinc/84/85/46/351848546.db2.gz ADSVKMQWZMHCPN-LMLFDSFASA-N 1 1 165.280 2.412 10 0 AEAEMO C[C@@H]1CC[N@H+]2[C@H]3CCC[C@H]3C[C@H]12 256440594 351848554 /nfs/dbraw/zinc/84/85/54/351848554.db2.gz PYDPXKNPCBQXMM-VPOLOUISSA-N 1 1 165.280 2.269 10 0 AEAEMO C[C@@H]1CC[C@@H]2C[C@H]3CCC[C@@H]3[N@@H+]12 256403095 351848557 /nfs/dbraw/zinc/84/85/57/351848557.db2.gz ADSVKMQWZMHCPN-DBIOUOCHSA-N 1 1 165.280 2.412 10 0 AEAEMO C[C@@H]1C[C@@H]2C[C@@H]3CCC[C@H]3[N@H+]2C1 256434758 351848591 /nfs/dbraw/zinc/84/85/91/351848591.db2.gz NMZCHFRKAIIVEH-LMLFDSFASA-N 1 1 165.280 2.269 10 0 AEAEMO C[C@@H]1CC[N@@H+]2[C@@H]1C[C@H]1CCC[C@H]12 256440589 351848615 /nfs/dbraw/zinc/84/86/15/351848615.db2.gz PYDPXKNPCBQXMM-GWOFURMSSA-N 1 1 165.280 2.269 10 0 AEAEMO C[C@@H]1C[C@@H]2C[C@H]3CCC[C@@H]3[N@H+]2C1 256434756 351848622 /nfs/dbraw/zinc/84/86/22/351848622.db2.gz NMZCHFRKAIIVEH-DBIOUOCHSA-N 1 1 165.280 2.269 10 0 AEAEMO CCc1[nH+]c(N)[nH]c1C1CCCC1 257880030 351854334 /nfs/dbraw/zinc/85/43/34/351854334.db2.gz LURNNFUFMMLPSZ-UHFFFAOYSA-N 1 1 179.267 2.212 10 0 AEAEMO Cc1c[nH]c(N2CCCCCC2)[nH+]1 257905081 351854984 /nfs/dbraw/zinc/85/49/84/351854984.db2.gz ORBUODFAPJQNQN-UHFFFAOYSA-N 1 1 179.267 2.099 10 0 AEAEMO CCn1cc[nH+]c1N1CCCCCC1 257928784 351855433 /nfs/dbraw/zinc/85/54/33/351855433.db2.gz SSZKCEKSFDZHLL-UHFFFAOYSA-N 1 1 193.294 2.283 10 0 AEAEMO CC(C)[N@H+]1CCCCC[C@@H]1CCO 257995008 351856726 /nfs/dbraw/zinc/85/67/26/351856726.db2.gz LFXAIVCKDSVTGR-LLVKDONJSA-N 1 1 185.311 2.022 10 0 AEAEMO CC(C)[N@H+]1CCCCC[C@H]1CCO 257995010 351856764 /nfs/dbraw/zinc/85/67/64/351856764.db2.gz LFXAIVCKDSVTGR-NSHDSACASA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@@]1(CN2CCCC2)CCCC[NH2+]1 258325823 351861289 /nfs/dbraw/zinc/86/12/89/351861289.db2.gz WMUGWPZOPZKBRV-LBPRGKRZSA-N 1 1 196.338 2.005 10 0 AEAEMO CC(C)CC[N@@H+]1CC[C@H](N)C(C)(C)C1 258810562 351867552 /nfs/dbraw/zinc/86/75/52/351867552.db2.gz NXCXXYWPDWQLJT-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)CC[N@H+]1CC[C@H](N)C(C)(C)C1 258810562 351867555 /nfs/dbraw/zinc/86/75/55/351867555.db2.gz NXCXXYWPDWQLJT-NSHDSACASA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)CC[N@@H+]1CC[C@@H](N)C(C)(C)C1 258810556 351867706 /nfs/dbraw/zinc/86/77/06/351867706.db2.gz NXCXXYWPDWQLJT-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)CC[N@H+]1CC[C@@H](N)C(C)(C)C1 258810556 351867711 /nfs/dbraw/zinc/86/77/11/351867711.db2.gz NXCXXYWPDWQLJT-LLVKDONJSA-N 1 1 198.354 2.092 10 0 AEAEMO Cc1cc(N)c[nH+]c1N(C)C(C)(C)C 258885127 351868340 /nfs/dbraw/zinc/86/83/40/351868340.db2.gz SIZILYSUUPSGBN-UHFFFAOYSA-N 1 1 193.294 2.207 10 0 AEAEMO CNc1cccc([C@H]2CC[N@@H+](C)C2)c1 259165197 351870327 /nfs/dbraw/zinc/87/03/27/351870327.db2.gz IYXOLYOKFAZPMV-NSHDSACASA-N 1 1 190.290 2.147 10 0 AEAEMO CNc1cccc([C@@H]2CC[N@@H+](C)C2)c1 259165194 351870559 /nfs/dbraw/zinc/87/05/59/351870559.db2.gz IYXOLYOKFAZPMV-LLVKDONJSA-N 1 1 190.290 2.147 10 0 AEAEMO C[N@@H+](C1CCC(=O)CC1)C(C)(C)C 259131764 351870597 /nfs/dbraw/zinc/87/05/97/351870597.db2.gz CYGWJUFVACSDKK-UHFFFAOYSA-N 1 1 183.295 2.228 10 0 AEAEMO CC1(C)[C@@H](N)CC[N@H+]1C1CCCCC1 259216302 351870978 /nfs/dbraw/zinc/87/09/78/351870978.db2.gz CSGAHKUOUKKNSS-NSHDSACASA-N 1 1 196.338 2.131 10 0 AEAEMO CC1(C)[C@H](N)CC[N@H+]1C1CCCCC1 259216298 351870855 /nfs/dbraw/zinc/87/08/55/351870855.db2.gz CSGAHKUOUKKNSS-LLVKDONJSA-N 1 1 196.338 2.131 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H]1c1cccnn1 259278046 351872050 /nfs/dbraw/zinc/87/20/50/351872050.db2.gz BJBZDHYANHZFIV-LLVKDONJSA-N 1 1 191.278 2.022 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H]1c1cccnn1 259278049 351872272 /nfs/dbraw/zinc/87/22/72/351872272.db2.gz BJBZDHYANHZFIV-NSHDSACASA-N 1 1 191.278 2.022 10 0 AEAEMO CC[N@H+]1CCCC[C@H]1c1cccnn1 259514820 351875133 /nfs/dbraw/zinc/87/51/33/351875133.db2.gz SBQJOHIJKFJRDK-NSHDSACASA-N 1 1 191.278 2.024 10 0 AEAEMO CC[N@H+]1CCCC[C@@H]1c1cccnn1 259514816 351875353 /nfs/dbraw/zinc/87/53/53/351875353.db2.gz SBQJOHIJKFJRDK-LLVKDONJSA-N 1 1 191.278 2.024 10 0 AEAEMO CC1(c2ncc(C[NH3+])[nH]2)CCCCC1 259705313 351878145 /nfs/dbraw/zinc/87/81/45/351878145.db2.gz KQQIFUNKNOGPGM-UHFFFAOYSA-N 1 1 193.294 2.090 10 0 AEAEMO C[C@@H]1CC[C@@H]1[NH2+]C1(C(F)F)CC1 306147647 351900086 /nfs/dbraw/zinc/90/00/86/351900086.db2.gz ALIXXGYMNMSGCC-RQJHMYQMSA-N 1 1 175.222 2.172 10 0 AEAEMO C[C@H]1CC[C@H]1[NH2+]C1(C(F)F)CC1 306147643 351899573 /nfs/dbraw/zinc/89/95/73/351899573.db2.gz ALIXXGYMNMSGCC-NKWVEPMBSA-N 1 1 175.222 2.172 10 0 AEAEMO C[C@H]1CC[C@@H]1[NH2+]C1(C(F)F)CC1 306147641 351899930 /nfs/dbraw/zinc/89/99/30/351899930.db2.gz ALIXXGYMNMSGCC-BQBZGAKWSA-N 1 1 175.222 2.172 10 0 AEAEMO C[C@@H]1CC[C@H]1[NH2+]C1(C(F)F)CC1 306147645 351900042 /nfs/dbraw/zinc/90/00/42/351900042.db2.gz ALIXXGYMNMSGCC-RNFRBKRXSA-N 1 1 175.222 2.172 10 0 AEAEMO C[C@@H]1CCC[N@@H+](Cc2cncs2)C1 306170000 351904583 /nfs/dbraw/zinc/90/45/83/351904583.db2.gz YQNCZTJJFMQXPM-SECBINFHSA-N 1 1 196.319 2.375 10 0 AEAEMO C[C@@H]1CCC[N@@H+](Cc2ccc[nH]2)C1 306173688 351904987 /nfs/dbraw/zinc/90/49/87/351904987.db2.gz BOFWOTDSWMSIHA-SNVBAGLBSA-N 1 1 178.279 2.247 10 0 AEAEMO C[C@H]1CCC[N@@H+](Cc2ccc[nH]2)C1 306173686 351905100 /nfs/dbraw/zinc/90/51/00/351905100.db2.gz BOFWOTDSWMSIHA-JTQLQIEISA-N 1 1 178.279 2.247 10 0 AEAEMO CC(C)=CC[N@H+]1[C@@H](C)COC[C@H]1C 306194689 351905921 /nfs/dbraw/zinc/90/59/21/351905921.db2.gz UNENQOJNWOYVMT-PHIMTYICSA-N 1 1 183.295 2.062 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@@H+](CC(C)=O)C1 306199203 351906527 /nfs/dbraw/zinc/90/65/27/351906527.db2.gz RQGPVYXPFRGPME-GXSJLCMTSA-N 1 1 183.295 2.086 10 0 AEAEMO C[C@H]1CCCC[N@H+]1C1CCC1 306221206 351909247 /nfs/dbraw/zinc/90/92/47/351909247.db2.gz PFRVQSNMVOGITN-VIFPVBQESA-N 1 1 153.269 2.413 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1C1CCC1 306221205 351909364 /nfs/dbraw/zinc/90/93/64/351909364.db2.gz PFRVQSNMVOGITN-SECBINFHSA-N 1 1 153.269 2.413 10 0 AEAEMO C[C@@H]1OCC[N@@H+](CC(C)(C)C)[C@H]1C 306226978 351910478 /nfs/dbraw/zinc/91/04/78/351910478.db2.gz GJZLQRWQHXIGTF-UWVGGRQHSA-N 1 1 185.311 2.142 10 0 AEAEMO C[C@@H]1OCC[N@@H+](CC(C)(C)C)[C@@H]1C 306226981 351910496 /nfs/dbraw/zinc/91/04/96/351910496.db2.gz GJZLQRWQHXIGTF-ZJUUUORDSA-N 1 1 185.311 2.142 10 0 AEAEMO C[C@H]1[C@@H](C)OCC[N@H+]1CC(C)(C)C 306226979 351910554 /nfs/dbraw/zinc/91/05/54/351910554.db2.gz GJZLQRWQHXIGTF-VHSXEESVSA-N 1 1 185.311 2.142 10 0 AEAEMO C[C@H]1OCC[N@@H+](CC(C)(C)C)[C@@H]1C 306226975 351910613 /nfs/dbraw/zinc/91/06/13/351910613.db2.gz GJZLQRWQHXIGTF-NXEZZACHSA-N 1 1 185.311 2.142 10 0 AEAEMO C[C@@H]1C[N@H+](Cc2cc[nH]c2)C[C@@H]1C 306239479 351911728 /nfs/dbraw/zinc/91/17/28/351911728.db2.gz GUQOUSJQOIOTRM-AOOOYVTPSA-N 1 1 178.279 2.103 10 0 AEAEMO CC(C)C[N@@H+]1[C@H](CN)CC[C@H](C)[C@@H]1C 306271117 351913780 /nfs/dbraw/zinc/91/37/80/351913780.db2.gz RHVHERAAYWOHJJ-SRVKXCTJSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[N@@H+]1[C@H](CN)CC[C@@H](C)[C@@H]1C 306271122 351913954 /nfs/dbraw/zinc/91/39/54/351913954.db2.gz RHVHERAAYWOHJJ-WOPDTQHZSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[N@@H+]1[C@H](CN)CC[C@H](C)[C@H]1C 306271120 351914020 /nfs/dbraw/zinc/91/40/20/351914020.db2.gz RHVHERAAYWOHJJ-TUAOUCFPSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)C[N@@H+]1[C@H](CN)CC[C@@H](C)[C@H]1C 306271121 351914054 /nfs/dbraw/zinc/91/40/54/351914054.db2.gz RHVHERAAYWOHJJ-UTUOFQBUSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc[nH]c2)C1 306277229 351914531 /nfs/dbraw/zinc/91/45/31/351914531.db2.gz FNYUHVVPCKVDLR-NXEZZACHSA-N 1 1 178.279 2.245 10 0 AEAEMO C[C@@H]1CSCC[N@@H+](CCCF)C1 306330143 351920764 /nfs/dbraw/zinc/92/07/64/351920764.db2.gz CECMQTAYESPFEU-VIFPVBQESA-N 1 1 191.315 2.031 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCC[C@@H]1CF 306359507 351922633 /nfs/dbraw/zinc/92/26/33/351922633.db2.gz DAXKMCZZKQTZBF-RKDXNWHRSA-N 1 1 159.248 2.219 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCC[C@H]1CF 306359503 351922758 /nfs/dbraw/zinc/92/27/58/351922758.db2.gz DAXKMCZZKQTZBF-BDAKNGLRSA-N 1 1 159.248 2.219 10 0 AEAEMO C[C@@H]1C[C@@H](C)[NH+]1Cc1nccs1 306399218 351925482 /nfs/dbraw/zinc/92/54/82/351925482.db2.gz FSJLGUOHCCPPRA-HTQZYQBOSA-N 1 1 182.292 2.126 10 0 AEAEMO C[C@@H]1CC[N@@H+](C2CCC2)[C@@H]1C 306435344 351929057 /nfs/dbraw/zinc/92/90/57/351929057.db2.gz BKNPYKNJHMGYFP-RKDXNWHRSA-N 1 1 153.269 2.269 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1Cc1cc[nH]c1 306431065 351929173 /nfs/dbraw/zinc/92/91/73/351929173.db2.gz QXBSCOCVGFCCMI-SNVBAGLBSA-N 1 1 178.279 2.389 10 0 AEAEMO Cc1nc(Cl)ccc1C[NH+]1CCC1 306436576 351929535 /nfs/dbraw/zinc/92/95/35/351929535.db2.gz LPHNXUCBLAZVBI-UHFFFAOYSA-N 1 1 196.681 2.249 10 0 AEAEMO CC[C@H]1CC[N@@H+]1[C@H](C)CC 306482419 351935882 /nfs/dbraw/zinc/93/58/82/351935882.db2.gz NBODWVZCITWZPK-BDAKNGLRSA-N 1 1 141.258 2.269 10 0 AEAEMO c1nc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)cs1 306484610 351936034 /nfs/dbraw/zinc/93/60/34/351936034.db2.gz GLRFFIDNGDYSKS-WPRPVWTQSA-N 1 1 194.303 2.127 10 0 AEAEMO c1nc(C[N@H+]2C[C@@H]3CCC[C@@H]32)cs1 306484610 351936037 /nfs/dbraw/zinc/93/60/37/351936037.db2.gz GLRFFIDNGDYSKS-WPRPVWTQSA-N 1 1 194.303 2.127 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@H]1CC 306482420 351936047 /nfs/dbraw/zinc/93/60/47/351936047.db2.gz NBODWVZCITWZPK-DTWKUNHWSA-N 1 1 141.258 2.269 10 0 AEAEMO CC[C@@H](C)[N@H+]1CC[C@H]1CC 306482696 351936055 /nfs/dbraw/zinc/93/60/55/351936055.db2.gz NBODWVZCITWZPK-RKDXNWHRSA-N 1 1 141.258 2.269 10 0 AEAEMO c1nc(C[N@@H+]2C[C@@H]3CCC[C@H]32)cs1 306484609 351936097 /nfs/dbraw/zinc/93/60/97/351936097.db2.gz GLRFFIDNGDYSKS-WCBMZHEXSA-N 1 1 194.303 2.127 10 0 AEAEMO c1nc(C[N@H+]2C[C@@H]3CCC[C@H]32)cs1 306484609 351936101 /nfs/dbraw/zinc/93/61/01/351936101.db2.gz GLRFFIDNGDYSKS-WCBMZHEXSA-N 1 1 194.303 2.127 10 0 AEAEMO c1nc(C[N@@H+]2C[C@H]3CCC[C@H]32)cs1 306484607 351936158 /nfs/dbraw/zinc/93/61/58/351936158.db2.gz GLRFFIDNGDYSKS-PSASIEDQSA-N 1 1 194.303 2.127 10 0 AEAEMO c1nc(C[N@H+]2C[C@H]3CCC[C@H]32)cs1 306484607 351936162 /nfs/dbraw/zinc/93/61/62/351936162.db2.gz GLRFFIDNGDYSKS-PSASIEDQSA-N 1 1 194.303 2.127 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@@H]1CC 306482421 351936198 /nfs/dbraw/zinc/93/61/98/351936198.db2.gz NBODWVZCITWZPK-IUCAKERBSA-N 1 1 141.258 2.269 10 0 AEAEMO c1nc(C[N@@H+]2C[C@H]3CCC[C@@H]32)cs1 306484608 351936221 /nfs/dbraw/zinc/93/62/21/351936221.db2.gz GLRFFIDNGDYSKS-SCZZXKLOSA-N 1 1 194.303 2.127 10 0 AEAEMO c1nc(C[N@H+]2C[C@H]3CCC[C@@H]32)cs1 306484608 351936222 /nfs/dbraw/zinc/93/62/22/351936222.db2.gz GLRFFIDNGDYSKS-SCZZXKLOSA-N 1 1 194.303 2.127 10 0 AEAEMO C[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc[nH]1 306540990 351943475 /nfs/dbraw/zinc/94/34/75/351943475.db2.gz PHTMJVZEUXQBSQ-AOOOYVTPSA-N 1 1 178.279 2.388 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCCOCC12CC2 306612787 351950743 /nfs/dbraw/zinc/95/07/43/351950743.db2.gz JFNPBDGWRXAIOV-SNVBAGLBSA-N 1 1 183.295 2.040 10 0 AEAEMO CC[C@H](C)[N@H+]1CCCOCC12CC2 306612786 351950930 /nfs/dbraw/zinc/95/09/30/351950930.db2.gz JFNPBDGWRXAIOV-JTQLQIEISA-N 1 1 183.295 2.040 10 0 AEAEMO Cc1ccc[nH+]c1N[C@@H](C)C(F)F 306740742 351960515 /nfs/dbraw/zinc/96/05/15/351960515.db2.gz COQQLOVTTCMLQN-ZETCQYMHSA-N 1 1 186.205 2.456 10 0 AEAEMO Cc1ccc[nH+]c1N[C@H](C)C(F)F 306740741 351960658 /nfs/dbraw/zinc/96/06/58/351960658.db2.gz COQQLOVTTCMLQN-SSDOTTSWSA-N 1 1 186.205 2.456 10 0 AEAEMO C[C@@H]1CCC[N@@H+](Cc2cc[nH]c2)C1 306968919 351978445 /nfs/dbraw/zinc/97/84/45/351978445.db2.gz ROACZOPFRHXSGD-SNVBAGLBSA-N 1 1 178.279 2.247 10 0 AEAEMO CCSCn1c[nH+]c(C)c1C 307101476 351986319 /nfs/dbraw/zinc/98/63/19/351986319.db2.gz VBJURZBWEYRSAE-UHFFFAOYSA-N 1 1 170.281 2.211 10 0 AEAEMO C[C@@H]1[NH2+]CC[C@H]1NC1CCCCCC1 307152707 351990581 /nfs/dbraw/zinc/99/05/81/351990581.db2.gz AIIXMRFKEVFFOF-CMPLNLGQSA-N 1 1 196.338 2.049 10 0 AEAEMO CC[C@@H](C)[NH2+][C@@H]1CCCc2c[nH]nc21 307196234 351993419 /nfs/dbraw/zinc/99/34/19/351993419.db2.gz SVQKMSBSTJIOQJ-PSASIEDQSA-N 1 1 193.294 2.175 10 0 AEAEMO CC[C@@H](C)[NH2+][C@H]1CCCc2c[nH]nc21 307196235 351993474 /nfs/dbraw/zinc/99/34/74/351993474.db2.gz SVQKMSBSTJIOQJ-SCZZXKLOSA-N 1 1 193.294 2.175 10 0 AEAEMO C[C@@H]1C[N@@H+](CCC(F)(F)F)[C@@H]1C 307230134 351997443 /nfs/dbraw/zinc/99/74/43/351997443.db2.gz BOXYFXIWUWYRBZ-RNFRBKRXSA-N 1 1 181.201 2.279 10 0 AEAEMO C[C@@H]1CC[N@@H+](CCCF)CCS1 307303843 352002106 /nfs/dbraw/zinc/00/21/06/352002106.db2.gz DVWOADFQTGPNLL-SECBINFHSA-N 1 1 191.315 2.173 10 0 AEAEMO C[C@@H]1CC[C@H]([N@@H+](C)C2CC2)C1 307379477 352008045 /nfs/dbraw/zinc/00/80/45/352008045.db2.gz DFOJMNJPSVOPLE-SCZZXKLOSA-N 1 1 153.269 2.269 10 0 AEAEMO C[C@@H]1CC[C@@H]([N@@H+](C)C2CC2)C1 307379465 352008367 /nfs/dbraw/zinc/00/83/67/352008367.db2.gz DFOJMNJPSVOPLE-PSASIEDQSA-N 1 1 153.269 2.269 10 0 AEAEMO CC[C@@H]1C[C@H](C)C[N@H+]1[C@H]1CCC[C@H]1O 307520965 352019451 /nfs/dbraw/zinc/01/94/51/352019451.db2.gz SIJHPENKCXLJDF-WHOHXGKFSA-N 1 1 197.322 2.020 10 0 AEAEMO CC[C@@H]1C[C@H](C)C[N@H+]1[C@@H]1CCC[C@@H]1O 307520964 352019481 /nfs/dbraw/zinc/01/94/81/352019481.db2.gz SIJHPENKCXLJDF-QCNOEVLYSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@@H]([NH2+]C1CC(C)(C)C1)C(F)F 307555689 352022182 /nfs/dbraw/zinc/02/21/82/352022182.db2.gz YERNWJXSJMCGJX-ZCFIWIBFSA-N 1 1 177.238 2.418 10 0 AEAEMO C[C@H]([NH2+]C1CC(C)(C)C1)C(F)F 307555687 352022254 /nfs/dbraw/zinc/02/22/54/352022254.db2.gz YERNWJXSJMCGJX-LURJTMIESA-N 1 1 177.238 2.418 10 0 AEAEMO C[C@@H]1CSCC[N@H+](C2CCC2)C1 307566238 352022903 /nfs/dbraw/zinc/02/29/03/352022903.db2.gz CNUMGRBDJIAELU-VIFPVBQESA-N 1 1 185.336 2.224 10 0 AEAEMO CC(C)=CC[N@H+](C)[C@H]1CCCOC1 307748479 352037347 /nfs/dbraw/zinc/03/73/47/352037347.db2.gz BXROJBXESXWVGS-NSHDSACASA-N 1 1 183.295 2.063 10 0 AEAEMO CC(C)=CC[N@H+](C)[C@@H]1CCCOC1 307748478 352037527 /nfs/dbraw/zinc/03/75/27/352037527.db2.gz BXROJBXESXWVGS-LLVKDONJSA-N 1 1 183.295 2.063 10 0 AEAEMO CC(C)=CC[N@H+]1C[C@H]2CCC[C@@H]21 307750392 352037758 /nfs/dbraw/zinc/03/77/58/352037758.db2.gz JUYHJLISZMHWLF-MNOVXSKESA-N 1 1 165.280 2.437 10 0 AEAEMO CC(C)=CC[N@H+]1C[C@@H]2CCC[C@@H]21 307750393 352037922 /nfs/dbraw/zinc/03/79/22/352037922.db2.gz JUYHJLISZMHWLF-QWRGUYRKSA-N 1 1 165.280 2.437 10 0 AEAEMO CC(C)=CC[N@H+]1C[C@@H]2CCC[C@H]21 307750394 352037931 /nfs/dbraw/zinc/03/79/31/352037931.db2.gz JUYHJLISZMHWLF-WDEREUQCSA-N 1 1 165.280 2.437 10 0 AEAEMO CC(C)=CC[N@H+]1C[C@H]2CCC[C@H]21 307750391 352037966 /nfs/dbraw/zinc/03/79/66/352037966.db2.gz JUYHJLISZMHWLF-GHMZBOCLSA-N 1 1 165.280 2.437 10 0 AEAEMO C[C@@H]1CC[N@@H+](Cc2cc[nH]c2)[C@@H]1C 307750356 352038069 /nfs/dbraw/zinc/03/80/69/352038069.db2.gz JPJCZPHHIODQFU-NXEZZACHSA-N 1 1 178.279 2.245 10 0 AEAEMO CC(C)=CC[N@H+]1[C@@H](C)C[C@H]1C 307755900 352038595 /nfs/dbraw/zinc/03/85/95/352038595.db2.gz FUPFMVTXPJFGBO-AOOOYVTPSA-N 1 1 153.269 2.435 10 0 AEAEMO CC(C)(C)CNc1[nH+]cccc1O 307756945 352039392 /nfs/dbraw/zinc/03/93/92/352039392.db2.gz JOFKDCYXEQORPH-UHFFFAOYSA-N 1 1 180.251 2.245 10 0 AEAEMO CCCC[C@@H](C)[N@@H+](C)CC(C)=O 308005569 352041934 /nfs/dbraw/zinc/04/19/34/352041934.db2.gz DBELFFDXJDOCAN-SECBINFHSA-N 1 1 171.284 2.086 10 0 AEAEMO CCCC[C@H](C)[N@@H+](C)CC(C)=O 308005570 352042497 /nfs/dbraw/zinc/04/24/97/352042497.db2.gz DBELFFDXJDOCAN-VIFPVBQESA-N 1 1 171.284 2.086 10 0 AEAEMO CCCCC[N@H+]1CC[C@@H](O)C[C@H]1C 308171579 352045065 /nfs/dbraw/zinc/04/50/65/352045065.db2.gz BOKWOGUHBUTVJX-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO Cc1cc(NCCCCF)nc(C)[nH+]1 308479253 352051751 /nfs/dbraw/zinc/05/17/51/352051751.db2.gz KRSUAAWGZZIQQW-UHFFFAOYSA-N 1 1 197.257 2.255 10 0 AEAEMO C[C@H]1[C@@H](N)CC[N@@H+]1CCCC(C)(C)C 308565735 352053207 /nfs/dbraw/zinc/05/32/07/352053207.db2.gz APXSVSPGRAKYCR-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]1[C@@H](N)CC[N@H+]1CCCC(C)(C)C 308565735 352053208 /nfs/dbraw/zinc/05/32/08/352053208.db2.gz APXSVSPGRAKYCR-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]1[C@@H]([NH3+])CCN1CCCC(C)(C)C 308565735 352053209 /nfs/dbraw/zinc/05/32/09/352053209.db2.gz APXSVSPGRAKYCR-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[N@@H+]1[C@H](CN)CC[C@@H](C)[C@H]1C 316381584 352055542 /nfs/dbraw/zinc/05/55/42/352055542.db2.gz JILRPSXMIVGIAZ-UTUOFQBUSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[N@@H+]1[C@H](CN)CC[C@H](C)[C@H]1C 316381582 352055550 /nfs/dbraw/zinc/05/55/50/352055550.db2.gz JILRPSXMIVGIAZ-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[N@@H+]1[C@H](CN)CC[C@H](C)[C@@H]1C 316381581 352055564 /nfs/dbraw/zinc/05/55/64/352055564.db2.gz JILRPSXMIVGIAZ-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[N@@H+]1[C@H](CN)CC[C@@H](C)[C@@H]1C 316381585 352055579 /nfs/dbraw/zinc/05/55/79/352055579.db2.gz JILRPSXMIVGIAZ-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1C[C@@H]1CCOC1 334149908 352056648 /nfs/dbraw/zinc/05/66/48/352056648.db2.gz JQIHSHGEQIAIFN-NEPJUHHUSA-N 1 1 197.322 2.287 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1C[C@H]1CCOC1 334149911 352057062 /nfs/dbraw/zinc/05/70/62/352057062.db2.gz JQIHSHGEQIAIFN-VXGBXAGGSA-N 1 1 197.322 2.287 10 0 AEAEMO CCc1nocc1C[N@H+]1CCC[C@H]1C 334226944 352059650 /nfs/dbraw/zinc/05/96/50/352059650.db2.gz BCVRQBNIBHQHLC-SECBINFHSA-N 1 1 194.278 2.221 10 0 AEAEMO CCc1nocc1C[N@H+]1CCC[C@@H]1C 334226950 352059710 /nfs/dbraw/zinc/05/97/10/352059710.db2.gz BCVRQBNIBHQHLC-VIFPVBQESA-N 1 1 194.278 2.221 10 0 AEAEMO C[C@@H]1C[C@H](C[N@@H+](C)C2CCC2)CCO1 334229248 352059766 /nfs/dbraw/zinc/05/97/66/352059766.db2.gz HZAJDWPTLMZAKD-GHMZBOCLSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H]1C[N@@H+](CCC2CCOCC2)[C@@H]1C 334246554 352060431 /nfs/dbraw/zinc/06/04/31/352060431.db2.gz URLFXVPXHKIJBV-GHMZBOCLSA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1Cc1cnc[nH]1 334279528 352062241 /nfs/dbraw/zinc/06/22/41/352062241.db2.gz QGAOOZXDFBJCQC-SNVBAGLBSA-N 1 1 193.294 2.174 10 0 AEAEMO C[C@@H]1CCCCC[N@@H+]1Cc1c[nH]cn1 334279528 352062242 /nfs/dbraw/zinc/06/22/42/352062242.db2.gz QGAOOZXDFBJCQC-SNVBAGLBSA-N 1 1 193.294 2.174 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1Cc1c[nH]cn1 334279528 352062244 /nfs/dbraw/zinc/06/22/44/352062244.db2.gz QGAOOZXDFBJCQC-SNVBAGLBSA-N 1 1 193.294 2.174 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1CC1=CCCOC1 334286303 352062419 /nfs/dbraw/zinc/06/24/19/352062419.db2.gz CGXIFQHZUWCZJA-LLVKDONJSA-N 1 1 195.306 2.208 10 0 AEAEMO C[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)CC1 334303634 352062575 /nfs/dbraw/zinc/06/25/75/352062575.db2.gz FSVYSHNQVQPMMF-SNVBAGLBSA-N 1 1 193.294 2.032 10 0 AEAEMO C[C@@H]1C[N@H+](Cc2cncc(F)c2)[C@@H]1C 334286494 352062793 /nfs/dbraw/zinc/06/27/93/352062793.db2.gz CJUFHOUBJPRETF-RKDXNWHRSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@@H]1C[N@@H+](Cc2cncc(F)c2)[C@@H]1C 334286494 352062794 /nfs/dbraw/zinc/06/27/94/352062794.db2.gz CJUFHOUBJPRETF-RKDXNWHRSA-N 1 1 194.253 2.061 10 0 AEAEMO CC(C)=CC[N@H+]1[C@@H](C)C[C@H](O)C[C@H]1C 334316502 352063684 /nfs/dbraw/zinc/06/36/84/352063684.db2.gz SPZIPAOGEUNPRS-ZSBIGDGJSA-N 1 1 197.322 2.186 10 0 AEAEMO C[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)CC1 334315506 352063725 /nfs/dbraw/zinc/06/37/25/352063725.db2.gz NQPSRYPNTDFVAV-SNVBAGLBSA-N 1 1 193.294 2.032 10 0 AEAEMO C[C@@H]1C[C@@H](C)[NH+]1Cc1cncc(F)c1 334337756 352065068 /nfs/dbraw/zinc/06/50/68/352065068.db2.gz WMJDXQZWMVKURN-RKDXNWHRSA-N 1 1 194.253 2.203 10 0 AEAEMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC1CC1 334367618 352066262 /nfs/dbraw/zinc/06/62/62/352066262.db2.gz KSVXUCJRDDLDPH-SCZZXKLOSA-N 1 1 196.294 2.032 10 0 AEAEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC1CC1 334367615 352066371 /nfs/dbraw/zinc/06/63/71/352066371.db2.gz KSVXUCJRDDLDPH-PSASIEDQSA-N 1 1 196.294 2.032 10 0 AEAEMO CC(C)C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C 334394450 352067868 /nfs/dbraw/zinc/06/78/68/352067868.db2.gz BPAUBMREHZJKEI-ZJUUUORDSA-N 1 1 198.310 2.278 10 0 AEAEMO CC(C)C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C 334394443 352067991 /nfs/dbraw/zinc/06/79/91/352067991.db2.gz BPAUBMREHZJKEI-VHSXEESVSA-N 1 1 198.310 2.278 10 0 AEAEMO CC(C)C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C 334394432 352068261 /nfs/dbraw/zinc/06/82/61/352068261.db2.gz BPAUBMREHZJKEI-NXEZZACHSA-N 1 1 198.310 2.278 10 0 AEAEMO CC(C)C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C 334394442 352068283 /nfs/dbraw/zinc/06/82/83/352068283.db2.gz BPAUBMREHZJKEI-UWVGGRQHSA-N 1 1 198.310 2.278 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1C[C@H]1CCCO1 334421438 352068988 /nfs/dbraw/zinc/06/89/88/352068988.db2.gz UBSXUWVPMYGUPO-VXGBXAGGSA-N 1 1 197.322 2.430 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1Cc1cc[nH]n1 334424931 352069039 /nfs/dbraw/zinc/06/90/39/352069039.db2.gz UDHYSLLLLBJABK-SNVBAGLBSA-N 1 1 193.294 2.174 10 0 AEAEMO Cc1cccc(C[N@@H+]2C[C@H](C)[C@H]2C)n1 334436887 352069736 /nfs/dbraw/zinc/06/97/36/352069736.db2.gz QLSHTTRJCONQRB-GXSJLCMTSA-N 1 1 190.290 2.230 10 0 AEAEMO Cc1cccc(C[N@@H+]2C[C@@H](C)[C@@H]2C)n1 334436888 352070137 /nfs/dbraw/zinc/07/01/37/352070137.db2.gz QLSHTTRJCONQRB-KOLCDFICSA-N 1 1 190.290 2.230 10 0 AEAEMO Cc1cccc(C[N@@H+]2C[C@@H](C)[C@H]2C)n1 334436890 352070203 /nfs/dbraw/zinc/07/02/03/352070203.db2.gz QLSHTTRJCONQRB-MWLCHTKSSA-N 1 1 190.290 2.230 10 0 AEAEMO C[C@@H]1CCC[N@@H+](Cc2cnc[nH]2)CC1 334474599 352072296 /nfs/dbraw/zinc/07/22/96/352072296.db2.gz MXELBPFTJDLKHZ-SNVBAGLBSA-N 1 1 193.294 2.032 10 0 AEAEMO C[C@@H]1CCC[N@H+](Cc2c[nH]cn2)CC1 334474599 352072299 /nfs/dbraw/zinc/07/22/99/352072299.db2.gz MXELBPFTJDLKHZ-SNVBAGLBSA-N 1 1 193.294 2.032 10 0 AEAEMO C[C@@H]1CCC[N@@H+](Cc2c[nH]cn2)CC1 334474599 352072301 /nfs/dbraw/zinc/07/23/01/352072301.db2.gz MXELBPFTJDLKHZ-SNVBAGLBSA-N 1 1 193.294 2.032 10 0 AEAEMO c1nc(C[NH+]2CCCC2)oc1C1CC1 334491403 352073263 /nfs/dbraw/zinc/07/32/63/352073263.db2.gz AYCKDMTTYLPHKC-UHFFFAOYSA-N 1 1 192.262 2.148 10 0 AEAEMO C[C@@H]1C[N@H+](Cc2ccncc2F)[C@@H]1C 334548466 352075329 /nfs/dbraw/zinc/07/53/29/352075329.db2.gz WFBIJQUPRIGYFH-RKDXNWHRSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@@H]1C[N@@H+](Cc2ccncc2F)[C@@H]1C 334548466 352075333 /nfs/dbraw/zinc/07/53/33/352075333.db2.gz WFBIJQUPRIGYFH-RKDXNWHRSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@@H]1CCCC[N@@H+](Cc2cc[nH]n2)C1 334639711 352077265 /nfs/dbraw/zinc/07/72/65/352077265.db2.gz YNKUPUYBXATQFF-SNVBAGLBSA-N 1 1 193.294 2.032 10 0 AEAEMO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccncc1F 334679298 352079187 /nfs/dbraw/zinc/07/91/87/352079187.db2.gz XEUUDLPAZFUPHG-RKDXNWHRSA-N 1 1 194.253 2.203 10 0 AEAEMO CCSCn1c[nH+]c2c1CCCC2 334812875 352082974 /nfs/dbraw/zinc/08/29/74/352082974.db2.gz XHDFMMKYDGTNKJ-UHFFFAOYSA-N 1 1 196.319 2.473 10 0 AEAEMO C[C@@H]1CC[N@@H+](Cc2ccno2)[C@H](C)C1 335091076 352089032 /nfs/dbraw/zinc/08/90/32/352089032.db2.gz CZURGBIHPFQZJS-NXEZZACHSA-N 1 1 194.278 2.295 10 0 AEAEMO CC(C)=CC[N@H+]1CCO[C@H](C2CC2)C1 335111224 352089414 /nfs/dbraw/zinc/08/94/14/352089414.db2.gz PAYIVKYGDAWPDV-LBPRGKRZSA-N 1 1 195.306 2.063 10 0 AEAEMO CC(C)=CC[N@H+]1CCO[C@@H](C2CC2)C1 335111222 352089480 /nfs/dbraw/zinc/08/94/80/352089480.db2.gz PAYIVKYGDAWPDV-GFCCVEGCSA-N 1 1 195.306 2.063 10 0 AEAEMO C[C@@H]1CC(C)(C)C[N@H+]1CCC1(O)CC1 335187367 352090789 /nfs/dbraw/zinc/09/07/89/352090789.db2.gz CHMJRIJVTFPUTG-SNVBAGLBSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1CC[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 335312893 352094427 /nfs/dbraw/zinc/09/44/27/352094427.db2.gz HVKRJZIUSFBOMT-MWLCHTKSSA-N 1 1 196.294 2.034 10 0 AEAEMO C[C@@H]1CC[C@]2(CC[N@@H+](CC(N)=O)C2)C1 335312891 352094553 /nfs/dbraw/zinc/09/45/53/352094553.db2.gz HVKRJZIUSFBOMT-KOLCDFICSA-N 1 1 196.294 2.034 10 0 AEAEMO CC(C)=CC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 335420902 352097602 /nfs/dbraw/zinc/09/76/02/352097602.db2.gz CUNPITVFEFUKJD-NEPJUHHUSA-N 1 1 195.306 2.063 10 0 AEAEMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1ncc[nH]1 335433730 352098049 /nfs/dbraw/zinc/09/80/49/352098049.db2.gz AXOIAIKIDAEPTK-SECBINFHSA-N 1 1 193.294 2.030 10 0 AEAEMO C[C@@H]1CC(C)(C)C[N@H+]1CCC(C)(C)O 335435917 352098073 /nfs/dbraw/zinc/09/80/73/352098073.db2.gz LIRRVIYOHPFLTN-SNVBAGLBSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccon1 335433696 352098129 /nfs/dbraw/zinc/09/81/29/352098129.db2.gz ACFHSUNADHKZRK-SECBINFHSA-N 1 1 194.278 2.295 10 0 AEAEMO C[C@@H]1CC(C)(C)C[N@H+]1CC1(O)CCC1 335427046 352098223 /nfs/dbraw/zinc/09/82/23/352098223.db2.gz HNFPJXAMKPSFRQ-SNVBAGLBSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1C[C@@H]1CCCO1 335492526 352100489 /nfs/dbraw/zinc/10/04/89/352100489.db2.gz UBSXUWVPMYGUPO-NEPJUHHUSA-N 1 1 197.322 2.430 10 0 AEAEMO CC(C)C[N@H+]1CC[C@@H](O)CC12CCC2 335613264 352106756 /nfs/dbraw/zinc/10/67/56/352106756.db2.gz UHBOAVGXFXABQO-LLVKDONJSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)C[N@H+]1CC[C@H](O)CC12CCC2 335613266 352107068 /nfs/dbraw/zinc/10/70/68/352107068.db2.gz UHBOAVGXFXABQO-NSHDSACASA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2cnc[nH]2)C1 335723352 352110667 /nfs/dbraw/zinc/11/06/67/352110667.db2.gz XYLAFLATCGUYNQ-NXEZZACHSA-N 1 1 193.294 2.030 10 0 AEAEMO C[C@@H]1CC[C@@H](C)[N@H+](Cc2c[nH]cn2)C1 335723352 352110670 /nfs/dbraw/zinc/11/06/70/352110670.db2.gz XYLAFLATCGUYNQ-NXEZZACHSA-N 1 1 193.294 2.030 10 0 AEAEMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2c[nH]cn2)C1 335723352 352110672 /nfs/dbraw/zinc/11/06/72/352110672.db2.gz XYLAFLATCGUYNQ-NXEZZACHSA-N 1 1 193.294 2.030 10 0 AEAEMO C[C@H]1CC[C@@H](C)C[N@@H+]1Cc1cnc[nH]1 335723357 352110883 /nfs/dbraw/zinc/11/08/83/352110883.db2.gz XYLAFLATCGUYNQ-ZJUUUORDSA-N 1 1 193.294 2.030 10 0 AEAEMO C[C@H]1CC[C@@H](C)C[N@H+]1Cc1c[nH]cn1 335723357 352110885 /nfs/dbraw/zinc/11/08/85/352110885.db2.gz XYLAFLATCGUYNQ-ZJUUUORDSA-N 1 1 193.294 2.030 10 0 AEAEMO C[C@H]1CC[C@@H](C)C[N@@H+]1Cc1c[nH]cn1 335723357 352110889 /nfs/dbraw/zinc/11/08/89/352110889.db2.gz XYLAFLATCGUYNQ-ZJUUUORDSA-N 1 1 193.294 2.030 10 0 AEAEMO C[C@@H]1CC[C@H](C[N@H+]2CCC23CCC3)O1 335753091 352111543 /nfs/dbraw/zinc/11/15/43/352111543.db2.gz UHXUZCZLEYUVSD-GHMZBOCLSA-N 1 1 195.306 2.182 10 0 AEAEMO C[C@@H]1CC[C@@H](C[N@H+]2CCC23CCC3)O1 335753092 352111591 /nfs/dbraw/zinc/11/15/91/352111591.db2.gz UHXUZCZLEYUVSD-MNOVXSKESA-N 1 1 195.306 2.182 10 0 AEAEMO CC(C)=CC[N@H+]1CCOC[C@@H]1C1CC1 335780296 352112550 /nfs/dbraw/zinc/11/25/50/352112550.db2.gz GOUWLXSDTSPLIR-GFCCVEGCSA-N 1 1 195.306 2.063 10 0 AEAEMO CC(C)=CC[N@H+]1CCOC[C@H]1C1CC1 335780297 352112580 /nfs/dbraw/zinc/11/25/80/352112580.db2.gz GOUWLXSDTSPLIR-LBPRGKRZSA-N 1 1 195.306 2.063 10 0 AEAEMO C[C@@H]1CCCC[N@@H+](CCC2(O)CC2)C1 335880720 352116601 /nfs/dbraw/zinc/11/66/01/352116601.db2.gz JFQGKVDNQJIBQE-LLVKDONJSA-N 1 1 197.322 2.023 10 0 AEAEMO CC(C)(O)[C@H]1CCC[N@H+]1C1CCCC1 335914312 352117739 /nfs/dbraw/zinc/11/77/39/352117739.db2.gz NQXUOLATBAOQDP-LLVKDONJSA-N 1 1 197.322 2.164 10 0 AEAEMO CC(C)(O)[C@@H]1CCC[N@H+]1C1CCCC1 335914313 352117988 /nfs/dbraw/zinc/11/79/88/352117988.db2.gz NQXUOLATBAOQDP-NSHDSACASA-N 1 1 197.322 2.164 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1Cc1ccon1 335906317 352118193 /nfs/dbraw/zinc/11/81/93/352118193.db2.gz VTLWHMMMEGOQTI-SNVBAGLBSA-N 1 1 194.278 2.439 10 0 AEAEMO C[C@@H]1CCC[N@@H+](CC2=CCCOC2)C1 335915321 352119036 /nfs/dbraw/zinc/11/90/36/352119036.db2.gz ABYBBEUCIPRUPB-LLVKDONJSA-N 1 1 195.306 2.065 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1Cc1ccno1 335971291 352120703 /nfs/dbraw/zinc/12/07/03/352120703.db2.gz GMSPTYLIPXFKNR-SNVBAGLBSA-N 1 1 194.278 2.439 10 0 AEAEMO CC(C)C[N@H+]1CCCC[C@@]1(C)C(N)=O 335997131 352121708 /nfs/dbraw/zinc/12/17/08/352121708.db2.gz WKXVJEFQMHYRSS-NSHDSACASA-N 1 1 198.310 2.422 10 0 AEAEMO CC(C)=CC[N@H+](C)[C@H]1CC[C@H](O)CC1 335990257 352121907 /nfs/dbraw/zinc/12/19/07/352121907.db2.gz XXWXZQVPPOFYID-HAQNSBGRSA-N 1 1 197.322 2.188 10 0 AEAEMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccon2)C1 336010034 352122012 /nfs/dbraw/zinc/12/20/12/352122012.db2.gz CLCHOBHFDJJIIT-NXEZZACHSA-N 1 1 194.278 2.295 10 0 AEAEMO CC(C)C[N@H+]1CCCC[C@]1(C)C(N)=O 335997130 352122105 /nfs/dbraw/zinc/12/21/05/352122105.db2.gz WKXVJEFQMHYRSS-LLVKDONJSA-N 1 1 198.310 2.422 10 0 AEAEMO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc(F)cn1 336055112 352123444 /nfs/dbraw/zinc/12/34/44/352123444.db2.gz JCVYDCYESRIXEK-RKDXNWHRSA-N 1 1 194.253 2.203 10 0 AEAEMO C[C@H]1COCC[N@@H+](CC2(C)CCC2)C1 336137388 352127321 /nfs/dbraw/zinc/12/73/21/352127321.db2.gz PRWYOHBLLLHVAU-LLVKDONJSA-N 1 1 197.322 2.145 10 0 AEAEMO c1coc(C[N@H+]2CC[C@H]2C2CC2)c1 336215297 352129781 /nfs/dbraw/zinc/12/97/81/352129781.db2.gz IYPMWWXRRDXRJJ-NSHDSACASA-N 1 1 177.247 2.264 10 0 AEAEMO c1ncc(C[N@H+]2CC[C@@H]2C2CC2)s1 336216356 352129833 /nfs/dbraw/zinc/12/98/33/352129833.db2.gz USUSDPYQMHKWKX-SNVBAGLBSA-N 1 1 194.303 2.127 10 0 AEAEMO CC(C)C[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 336210181 352129863 /nfs/dbraw/zinc/12/98/63/352129863.db2.gz DZIILMXAENPUFU-VXGBXAGGSA-N 1 1 198.354 2.057 10 0 AEAEMO c1nc(C[N@@H+]2CC[C@@H]2C2CC2)cs1 336215190 352130024 /nfs/dbraw/zinc/13/00/24/352130024.db2.gz BAAXYZJRPKVZGG-SNVBAGLBSA-N 1 1 194.303 2.127 10 0 AEAEMO c1nc(C[N@H+]2CC[C@@H]2C2CC2)cs1 336215190 352130027 /nfs/dbraw/zinc/13/00/27/352130027.db2.gz BAAXYZJRPKVZGG-SNVBAGLBSA-N 1 1 194.303 2.127 10 0 AEAEMO c1coc(C[N@H+]2CC[C@@H]2C2CC2)c1 336215296 352130035 /nfs/dbraw/zinc/13/00/35/352130035.db2.gz IYPMWWXRRDXRJJ-LLVKDONJSA-N 1 1 177.247 2.264 10 0 AEAEMO CC(C)C[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 336210180 352130044 /nfs/dbraw/zinc/13/00/44/352130044.db2.gz DZIILMXAENPUFU-RYUDHWBXSA-N 1 1 198.354 2.057 10 0 AEAEMO CC(C)C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 336210179 352130187 /nfs/dbraw/zinc/13/01/87/352130187.db2.gz DZIILMXAENPUFU-NWDGAFQWSA-N 1 1 198.354 2.057 10 0 AEAEMO c1ccc(C[N@H+]2CC[C@@H]2C2CC2)nc1 336215319 352130202 /nfs/dbraw/zinc/13/02/02/352130202.db2.gz KMGAWODBZOXORE-GFCCVEGCSA-N 1 1 188.274 2.066 10 0 AEAEMO c1ncc(C[N@H+]2CC[C@H]2C2CC2)s1 336216355 352130218 /nfs/dbraw/zinc/13/02/18/352130218.db2.gz USUSDPYQMHKWKX-JTQLQIEISA-N 1 1 194.303 2.127 10 0 AEAEMO c1nc(C[N@@H+]2CC[C@H]2C2CC2)cs1 336215189 352130235 /nfs/dbraw/zinc/13/02/35/352130235.db2.gz BAAXYZJRPKVZGG-JTQLQIEISA-N 1 1 194.303 2.127 10 0 AEAEMO c1nc(C[N@H+]2CC[C@H]2C2CC2)cs1 336215189 352130237 /nfs/dbraw/zinc/13/02/37/352130237.db2.gz BAAXYZJRPKVZGG-JTQLQIEISA-N 1 1 194.303 2.127 10 0 AEAEMO CC(C)C[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 336210178 352130314 /nfs/dbraw/zinc/13/03/14/352130314.db2.gz DZIILMXAENPUFU-NEPJUHHUSA-N 1 1 198.354 2.057 10 0 AEAEMO c1ccc(C[N@H+]2CC[C@H]2C2CC2)nc1 336215320 352130416 /nfs/dbraw/zinc/13/04/16/352130416.db2.gz KMGAWODBZOXORE-LBPRGKRZSA-N 1 1 188.274 2.066 10 0 AEAEMO C[C@@H]1C[N@H+](Cc2ccc(F)cn2)[C@@H]1C 336229947 352130851 /nfs/dbraw/zinc/13/08/51/352130851.db2.gz ONFURHUCLVRBDC-RKDXNWHRSA-N 1 1 194.253 2.061 10 0 AEAEMO C[C@@H]1C[N@@H+](Cc2ccc(F)cn2)[C@@H]1C 336229947 352130852 /nfs/dbraw/zinc/13/08/52/352130852.db2.gz ONFURHUCLVRBDC-RKDXNWHRSA-N 1 1 194.253 2.061 10 0 AEAEMO CCO[C@H]1CC[N@H+](C(C)C)C[C@H]1C 336266015 352133718 /nfs/dbraw/zinc/13/37/18/352133718.db2.gz FHEZVTPVBAZEAM-MNOVXSKESA-N 1 1 185.311 2.142 10 0 AEAEMO CC(C)CC[N@@H+]1C[C@H](F)[C@H](F)C1 336269384 352133734 /nfs/dbraw/zinc/13/37/34/352133734.db2.gz ROSXYBIVXQXHNV-DTORHVGOSA-N 1 1 177.238 2.024 10 0 AEAEMO CC(C)CC[N@H+]1C[C@H](F)[C@H](F)C1 336269384 352133737 /nfs/dbraw/zinc/13/37/37/352133737.db2.gz ROSXYBIVXQXHNV-DTORHVGOSA-N 1 1 177.238 2.024 10 0 AEAEMO C[C@@H]1C[N@@H+](CCc2cscn2)[C@@H]1C 336265821 352133850 /nfs/dbraw/zinc/13/38/50/352133850.db2.gz VTEQAPGIBBVNFA-RKDXNWHRSA-N 1 1 196.319 2.026 10 0 AEAEMO CCO[C@H]1CC[N@H+](C(C)C)C[C@@H]1C 336266016 352133996 /nfs/dbraw/zinc/13/39/96/352133996.db2.gz FHEZVTPVBAZEAM-QWRGUYRKSA-N 1 1 185.311 2.142 10 0 AEAEMO CCO[C@@H]1CC[N@H+](C(C)C)C[C@@H]1C 336266017 352134043 /nfs/dbraw/zinc/13/40/43/352134043.db2.gz FHEZVTPVBAZEAM-WDEREUQCSA-N 1 1 185.311 2.142 10 0 AEAEMO C[C@@H]1C[N@@H+](CC2CCC(=O)CC2)[C@@H]1C 336265851 352134122 /nfs/dbraw/zinc/13/41/22/352134122.db2.gz ZBVCIKKOHZGZQU-NXEZZACHSA-N 1 1 195.306 2.086 10 0 AEAEMO CCO[C@@H]1CC[N@H+](C(C)C)C[C@H]1C 336266014 352134139 /nfs/dbraw/zinc/13/41/39/352134139.db2.gz FHEZVTPVBAZEAM-GHMZBOCLSA-N 1 1 185.311 2.142 10 0 AEAEMO C[C@@H]1C[N@@H+](CCc2cncs2)[C@@H]1C 336281031 352134186 /nfs/dbraw/zinc/13/41/86/352134186.db2.gz OZHLYKLVLXHIJE-RKDXNWHRSA-N 1 1 196.319 2.026 10 0 AEAEMO CC(C)CC[N@H+]1CCN(C)CC[C@@H]1C 336339226 352136517 /nfs/dbraw/zinc/13/65/17/352136517.db2.gz DQCGSLUFVNFRBJ-LBPRGKRZSA-N 1 1 198.354 2.059 10 0 AEAEMO CC(C)CC[N@H+]1CCN(C)CC[C@H]1C 336339225 352136794 /nfs/dbraw/zinc/13/67/94/352136794.db2.gz DQCGSLUFVNFRBJ-GFCCVEGCSA-N 1 1 198.354 2.059 10 0 AEAEMO C[C@@]1(C(N)=O)CCCC[N@H+]1CC1CC1 336358066 352138552 /nfs/dbraw/zinc/13/85/52/352138552.db2.gz VOCLDZMNYZBOJU-NSHDSACASA-N 1 1 196.294 2.176 10 0 AEAEMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccno2)C1 336427680 352141462 /nfs/dbraw/zinc/14/14/62/352141462.db2.gz RCGPFAILGIKNGH-NXEZZACHSA-N 1 1 194.278 2.295 10 0 AEAEMO C[C@@H]1CSCC[N@H+]1C1CCCC1 336552744 352145165 /nfs/dbraw/zinc/14/51/65/352145165.db2.gz QHEQBSDMWFTMNY-SECBINFHSA-N 1 1 185.336 2.366 10 0 AEAEMO C[C@@H]1C[N@@H+](C2CCCC2)[C@H](C)CO1 336552340 352145678 /nfs/dbraw/zinc/14/56/78/352145678.db2.gz JTTSTISVNKDUOE-NXEZZACHSA-N 1 1 183.295 2.038 10 0 AEAEMO CC(C)C[N@H+]1CCC12CCC2 336553342 352146248 /nfs/dbraw/zinc/14/62/48/352146248.db2.gz MTABNNCTXDKBJK-UHFFFAOYSA-N 1 1 153.269 2.271 10 0 AEAEMO C[C@@H]1[N@H+](C2CCCC2)CCOC1(C)C 336553105 352146721 /nfs/dbraw/zinc/14/67/21/352146721.db2.gz TZLZOTSWHZKXBA-JTQLQIEISA-N 1 1 197.322 2.428 10 0 AEAEMO CCC[N@@H+](C)Cc1ccnc(C)c1 527531745 352165594 /nfs/dbraw/zinc/16/55/94/352165594.db2.gz BLYQNHKCEGSBRW-UHFFFAOYSA-N 1 1 178.279 2.232 10 0 AEAEMO CC[C@@H]1CC[N@H+]1Cc1ccnc(C)c1 527538284 352166791 /nfs/dbraw/zinc/16/67/91/352166791.db2.gz CPZQFEMWTKTTJJ-GFCCVEGCSA-N 1 1 190.290 2.374 10 0 AEAEMO Cc1cc(C[N@H+]2[C@@H](C)C[C@H]2C)ccn1 527540673 352166807 /nfs/dbraw/zinc/16/68/07/352166807.db2.gz SVSDAYHOPZSCEJ-PHIMTYICSA-N 1 1 190.290 2.373 10 0 AEAEMO CC[C@H]1CC[N@H+]1Cc1ccnc(C)c1 527538287 352167220 /nfs/dbraw/zinc/16/72/20/352167220.db2.gz CPZQFEMWTKTTJJ-LBPRGKRZSA-N 1 1 190.290 2.374 10 0 AEAEMO COCC[N@@H+](C)CC1CC(C)(C)C1 528352992 352176766 /nfs/dbraw/zinc/17/67/66/352176766.db2.gz MBRTXXHFDMGSJP-UHFFFAOYSA-N 1 1 185.311 2.001 10 0 AEAEMO CC1(C)CC(C[N@H+]2CCCOCC2)C1 528366192 352176816 /nfs/dbraw/zinc/17/68/16/352176816.db2.gz SOWLLVREMZYKEE-UHFFFAOYSA-N 1 1 197.322 2.145 10 0 AEAEMO CC(C)[N@@H+](CCO)CC1CC(C)(C)C1 528354624 352176937 /nfs/dbraw/zinc/17/69/37/352176937.db2.gz RDGLTOFYEVBYOR-UHFFFAOYSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[N@@H+](CCO)CC1CC(C)(C)C1 528353630 352176998 /nfs/dbraw/zinc/17/69/98/352176998.db2.gz UOPNWVSYYYUECL-UHFFFAOYSA-N 1 1 199.338 2.127 10 0 AEAEMO CC[N@@H+](CCOC)CC1CC(C)(C)C1 528356070 352177024 /nfs/dbraw/zinc/17/70/24/352177024.db2.gz DKXWINFBXPPJJA-UHFFFAOYSA-N 1 1 199.338 2.391 10 0 AEAEMO C[N@@H+](CC1CC(C)(C)C1)[C@H]1CCOC1 528382011 352177335 /nfs/dbraw/zinc/17/73/35/352177335.db2.gz RXQGDYJNDMTITK-NSHDSACASA-N 1 1 197.322 2.143 10 0 AEAEMO CC[N@@H+](CCCO)CC1CC(C)(C)C1 528391089 352177346 /nfs/dbraw/zinc/17/73/46/352177346.db2.gz DNLCHZRIEUKXJL-UHFFFAOYSA-N 1 1 199.338 2.127 10 0 AEAEMO CO[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 528394571 352177379 /nfs/dbraw/zinc/17/73/79/352177379.db2.gz JAJGAXCTOYFODO-NSHDSACASA-N 1 1 197.322 2.143 10 0 AEAEMO C[N@@H+](CC1CC(C)(C)C1)C(C)(C)CO 528391316 352177587 /nfs/dbraw/zinc/17/75/87/352177587.db2.gz YFPGDOUEBRECBW-UHFFFAOYSA-N 1 1 199.338 2.125 10 0 AEAEMO C[N@@H+](CC1CC(C)(C)C1)[C@@H]1CCOC1 528382008 352177651 /nfs/dbraw/zinc/17/76/51/352177651.db2.gz RXQGDYJNDMTITK-LLVKDONJSA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@@H](O)CC[N@@H+](C)CC1CC(C)(C)C1 528386182 352177937 /nfs/dbraw/zinc/17/79/37/352177937.db2.gz AKJPGTUDLAYJTG-SNVBAGLBSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H](O)CC[N@@H+](C)CC1CC(C)(C)C1 528386180 352178115 /nfs/dbraw/zinc/17/81/15/352178115.db2.gz AKJPGTUDLAYJTG-JTQLQIEISA-N 1 1 199.338 2.125 10 0 AEAEMO C[N@@H+](CC1CC(C)(C)C1)CC(C)(C)O 528385091 352178026 /nfs/dbraw/zinc/17/80/26/352178026.db2.gz WDGWCLDZSQVBKE-UHFFFAOYSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@@H]1COCC[N@H+]1CC1CC(C)(C)C1 528479292 352178369 /nfs/dbraw/zinc/17/83/69/352178369.db2.gz WEOKPBFWTHEPHR-SNVBAGLBSA-N 1 1 197.322 2.143 10 0 AEAEMO Cc1cnccc1C[N@@H+]1C[C@H](C)[C@H]1C 528512564 352179364 /nfs/dbraw/zinc/17/93/64/352179364.db2.gz MDGCJQGLCFULLM-WDEREUQCSA-N 1 1 190.290 2.230 10 0 AEAEMO CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)CO 528505294 352179483 /nfs/dbraw/zinc/17/94/83/352179483.db2.gz GKQIAYFCQWEZMO-SNVBAGLBSA-N 1 1 199.338 2.125 10 0 AEAEMO Cc1cnccc1C[N@@H+]1C[C@H](C)[C@@H]1C 528512562 352179679 /nfs/dbraw/zinc/17/96/79/352179679.db2.gz MDGCJQGLCFULLM-QWRGUYRKSA-N 1 1 190.290 2.230 10 0 AEAEMO C[C@H]1C[N@@H+](CC2CC(C)(C)C2)CCO1 528511151 352179701 /nfs/dbraw/zinc/17/97/01/352179701.db2.gz DLGBIDJXLODUBV-JTQLQIEISA-N 1 1 197.322 2.143 10 0 AEAEMO Cc1cnccc1C[N@@H+]1C[C@@H](C)[C@H]1C 528512546 352179737 /nfs/dbraw/zinc/17/97/37/352179737.db2.gz MDGCJQGLCFULLM-GHMZBOCLSA-N 1 1 190.290 2.230 10 0 AEAEMO CC[C@@H](CO)[N@@H+](C)CC1CC(C)(C)C1 528518784 352179760 /nfs/dbraw/zinc/17/97/60/352179760.db2.gz RXVYQHROBJUESM-NSHDSACASA-N 1 1 199.338 2.125 10 0 AEAEMO CO[C@@H](C)C[N@@H+](C)CC1CC(C)(C)C1 528509183 352179778 /nfs/dbraw/zinc/17/97/78/352179778.db2.gz ZJHPTIJRSJWIMW-JTQLQIEISA-N 1 1 199.338 2.389 10 0 AEAEMO C[C@@H]1C[N@@H+](CC2CC(C)(C)C2)CCO1 528511153 352179790 /nfs/dbraw/zinc/17/97/90/352179790.db2.gz DLGBIDJXLODUBV-SNVBAGLBSA-N 1 1 197.322 2.143 10 0 AEAEMO Cc1cnccc1C[N@@H+]1C[C@@H](C)[C@@H]1C 528512559 352179812 /nfs/dbraw/zinc/17/98/12/352179812.db2.gz MDGCJQGLCFULLM-MNOVXSKESA-N 1 1 190.290 2.230 10 0 AEAEMO CC[C@H](CO)[N@@H+](C)CC1CC(C)(C)C1 528518783 352179917 /nfs/dbraw/zinc/17/99/17/352179917.db2.gz RXVYQHROBJUESM-LLVKDONJSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[N@@H+](CC1CC(C)(C)C1)[C@@H](C)CO 528511608 352179955 /nfs/dbraw/zinc/17/99/55/352179955.db2.gz GKQIAYFCQWEZMO-JTQLQIEISA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H]1COCC[N@H+]1CC1CC(C)(C)C1 528519796 352179971 /nfs/dbraw/zinc/17/99/71/352179971.db2.gz WEOKPBFWTHEPHR-JTQLQIEISA-N 1 1 197.322 2.143 10 0 AEAEMO CO[C@H](C)C[N@@H+](C)CC1CC(C)(C)C1 528509185 352179977 /nfs/dbraw/zinc/17/99/77/352179977.db2.gz ZJHPTIJRSJWIMW-SNVBAGLBSA-N 1 1 199.338 2.389 10 0 AEAEMO CCC1C[NH+](Cc2ccc(F)cn2)C1 529598462 352183378 /nfs/dbraw/zinc/18/33/78/352183378.db2.gz BRNVRVCEGQNZRZ-UHFFFAOYSA-N 1 1 194.253 2.063 10 0 AEAEMO CC1C[NH+](Cc2ccncc2Cl)C1 529558147 352183434 /nfs/dbraw/zinc/18/34/34/352183434.db2.gz QBFHMKSBLMPFKK-UHFFFAOYSA-N 1 1 196.681 2.187 10 0 AEAEMO CCC[C@@H](C)N[C@@H]1CC[NH2+]C12CCC2 530179238 352186836 /nfs/dbraw/zinc/18/68/36/352186836.db2.gz WKJLEJSASFKHNX-GHMZBOCLSA-N 1 1 196.338 2.049 10 0 AEAEMO CCC[C@@H](C)N[C@H]1CC[NH2+]C12CCC2 530179240 352186937 /nfs/dbraw/zinc/18/69/37/352186937.db2.gz WKJLEJSASFKHNX-MNOVXSKESA-N 1 1 196.338 2.049 10 0 AEAEMO CCC[C@H](C)N[C@@H]1CC[NH2+]C12CCC2 530179243 352187086 /nfs/dbraw/zinc/18/70/86/352187086.db2.gz WKJLEJSASFKHNX-WDEREUQCSA-N 1 1 196.338 2.049 10 0 AEAEMO CCC[C@H](C)N[C@H]1CC[NH2+]C12CCC2 530179242 352187173 /nfs/dbraw/zinc/18/71/73/352187173.db2.gz WKJLEJSASFKHNX-QWRGUYRKSA-N 1 1 196.338 2.049 10 0 AEAEMO CNc1[nH+]c(C)ccc1CSC 575452106 352217123 /nfs/dbraw/zinc/21/71/23/352217123.db2.gz KVDWUQFQNOQQCB-UHFFFAOYSA-N 1 1 182.292 2.295 10 0 AEAEMO Cc1cc([C@@H]([NH3+])c2cncs2)co1 575453044 352217812 /nfs/dbraw/zinc/21/78/12/352217812.db2.gz MAJBROLJWKNVOZ-SECBINFHSA-N 1 1 194.259 2.093 10 0 AEAEMO Cc1cc([C@H]([NH3+])c2cncs2)co1 575453046 352217844 /nfs/dbraw/zinc/21/78/44/352217844.db2.gz MAJBROLJWKNVOZ-VIFPVBQESA-N 1 1 194.259 2.093 10 0 AEAEMO Cc1ccc(C[NH+](C)C)c(Cl)n1 575460808 352244623 /nfs/dbraw/zinc/24/46/23/352244623.db2.gz UYGVCRZIEIXJJB-UHFFFAOYSA-N 1 1 184.670 2.105 10 0 AEAEMO Cc1ccc(-c2cnsc2)c(N)[nH+]1 575461467 352247162 /nfs/dbraw/zinc/24/71/62/352247162.db2.gz OGVYFAXCDTXDIV-UHFFFAOYSA-N 1 1 191.259 2.096 10 0 AEAEMO Cc1ccc(-c2ccns2)c(N)[nH+]1 575464957 352260846 /nfs/dbraw/zinc/26/08/46/352260846.db2.gz QRPSJEXFAIUPGQ-UHFFFAOYSA-N 1 1 191.259 2.096 10 0 AEAEMO Cc1cc([C@H]2[NH2+]CCCS2)ccn1 575465444 352263259 /nfs/dbraw/zinc/26/32/59/352263259.db2.gz KUTLJTIAZSWZCN-JTQLQIEISA-N 1 1 194.303 2.115 10 0 AEAEMO Cc1cc([C@@H]2[NH2+]CCCS2)ccn1 575465452 352263304 /nfs/dbraw/zinc/26/33/04/352263304.db2.gz KUTLJTIAZSWZCN-SNVBAGLBSA-N 1 1 194.303 2.115 10 0 AEAEMO Cc1ccc[nH+]c1NCC(C)(F)F 575465746 352264522 /nfs/dbraw/zinc/26/45/22/352264522.db2.gz KKCLWTQFTBRZAT-UHFFFAOYSA-N 1 1 186.205 2.457 10 0 AEAEMO Cc1ccc[nH+]c1N[C@H](C)CF 575467644 352271998 /nfs/dbraw/zinc/27/19/98/352271998.db2.gz QLOXCCOEMXBLEZ-MRVPVSSYSA-N 1 1 168.215 2.160 10 0 AEAEMO Cc1ccc[nH+]c1N[C@@H](C)CF 575467645 352272183 /nfs/dbraw/zinc/27/21/83/352272183.db2.gz QLOXCCOEMXBLEZ-QMMMGPOBSA-N 1 1 168.215 2.160 10 0 AEAEMO Cc1ccc(-c2ccoc2)c(N)[nH+]1 575469374 352279616 /nfs/dbraw/zinc/27/96/16/352279616.db2.gz NLGQTEAZDIUFEI-UHFFFAOYSA-N 1 1 174.203 2.232 10 0 AEAEMO Nc1[nH+]cccc1CC1CC=CC1 575471186 352286251 /nfs/dbraw/zinc/28/62/51/352286251.db2.gz ZHAOCCCOTXZJGL-UHFFFAOYSA-N 1 1 174.247 2.173 10 0 AEAEMO Cc1ccc[nH+]c1NCC1CSC1 575486086 352334495 /nfs/dbraw/zinc/33/44/95/352334495.db2.gz FKWKPMZWVVVWKI-UHFFFAOYSA-N 1 1 194.303 2.165 10 0 AEAEMO CC1CC(c2cnc([C@@H](C)[NH3+])o2)C1 575486163 352335367 /nfs/dbraw/zinc/33/53/67/352335367.db2.gz FRJZJQZGOWPOQH-ZUEIMRROSA-N 1 1 180.251 2.208 10 0 AEAEMO CC1CC(c2cnc([C@H](C)[NH3+])o2)C1 575486162 352335423 /nfs/dbraw/zinc/33/54/23/352335423.db2.gz FRJZJQZGOWPOQH-WTIBDHCWSA-N 1 1 180.251 2.208 10 0 AEAEMO CCc1cc(C(F)(F)F)cc(N)[nH+]1 575488016 352346347 /nfs/dbraw/zinc/34/63/47/352346347.db2.gz HYCPFTLVBQAYKK-UHFFFAOYSA-N 1 1 190.168 2.245 10 0 AEAEMO Cc1ccc(NCC2CSC2)[nH+]c1 575488318 352348305 /nfs/dbraw/zinc/34/83/05/352348305.db2.gz RYKLPNHQWNFVRA-UHFFFAOYSA-N 1 1 194.303 2.165 10 0 AEAEMO CCC(F)(F)[C@@H]([NH3+])C=C(C)C 575498460 352394977 /nfs/dbraw/zinc/39/49/77/352394977.db2.gz YLKDRYWXHXQRIL-ZETCQYMHSA-N 1 1 163.211 2.325 10 0 AEAEMO CCC(F)(F)[C@H]([NH3+])C=C(C)C 575498459 352395247 /nfs/dbraw/zinc/39/52/47/352395247.db2.gz YLKDRYWXHXQRIL-SSDOTTSWSA-N 1 1 163.211 2.325 10 0 AEAEMO Cc1ncc(-c2cc(N)cc[nH+]2)s1 575491249 352361519 /nfs/dbraw/zinc/36/15/19/352361519.db2.gz UGKHHAYIRVPHOC-UHFFFAOYSA-N 1 1 191.259 2.096 10 0 AEAEMO C[N@H+]1CC[C@H](CNc2ccsc2)C1 575499178 352399119 /nfs/dbraw/zinc/39/91/19/352399119.db2.gz GXSXQBXKMVOYFW-SECBINFHSA-N 1 1 196.319 2.112 10 0 AEAEMO C[N@H+]1CC[C@@H](CNc2ccsc2)C1 575499179 352399127 /nfs/dbraw/zinc/39/91/27/352399127.db2.gz GXSXQBXKMVOYFW-VIFPVBQESA-N 1 1 196.319 2.112 10 0 AEAEMO C[C@@H]1CCS[C@H](CC(F)(F)F)[NH2+]1 575505301 352430050 /nfs/dbraw/zinc/43/00/50/352430050.db2.gz RLRNKSRDTNARAI-PHDIDXHHSA-N 1 1 199.241 2.380 10 0 AEAEMO C[C@H]1CCS[C@@H](CC(F)(F)F)[NH2+]1 575505303 352430123 /nfs/dbraw/zinc/43/01/23/352430123.db2.gz RLRNKSRDTNARAI-WDSKDSINSA-N 1 1 199.241 2.380 10 0 AEAEMO C[C@@H]1CCS[C@@H](CC(F)(F)F)[NH2+]1 575505302 352430146 /nfs/dbraw/zinc/43/01/46/352430146.db2.gz RLRNKSRDTNARAI-RITPCOANSA-N 1 1 199.241 2.380 10 0 AEAEMO C[C@H]1CCS[C@H](CC(F)(F)F)[NH2+]1 575505300 352430152 /nfs/dbraw/zinc/43/01/52/352430152.db2.gz RLRNKSRDTNARAI-NTSWFWBYSA-N 1 1 199.241 2.380 10 0 AEAEMO C[C@H]1C[NH2+][C@H](CC(F)(F)F)SC1 575505474 352430791 /nfs/dbraw/zinc/43/07/91/352430791.db2.gz XXNZETFIAFOJSK-WDSKDSINSA-N 1 1 199.241 2.237 10 0 AEAEMO C[C@@H]1CC[NH2+][C@H](CC(F)(F)F)S1 575505354 352430848 /nfs/dbraw/zinc/43/08/48/352430848.db2.gz UHCTVRVJEOBROF-RITPCOANSA-N 1 1 199.241 2.380 10 0 AEAEMO C[C@H]1CC[NH2+][C@H](CC(F)(F)F)S1 575505355 352430854 /nfs/dbraw/zinc/43/08/54/352430854.db2.gz UHCTVRVJEOBROF-WDSKDSINSA-N 1 1 199.241 2.380 10 0 AEAEMO C[C@@H]1C[NH2+][C@@H](CC(F)(F)F)SC1 575505472 352430860 /nfs/dbraw/zinc/43/08/60/352430860.db2.gz XXNZETFIAFOJSK-PHDIDXHHSA-N 1 1 199.241 2.237 10 0 AEAEMO C[C@H]1C[NH2+][C@@H](CC(F)(F)F)SC1 575505468 352430936 /nfs/dbraw/zinc/43/09/36/352430936.db2.gz XXNZETFIAFOJSK-NTSWFWBYSA-N 1 1 199.241 2.237 10 0 AEAEMO C[C@H]1CC[NH2+][C@@H](CC(F)(F)F)S1 575505351 352430983 /nfs/dbraw/zinc/43/09/83/352430983.db2.gz UHCTVRVJEOBROF-NTSWFWBYSA-N 1 1 199.241 2.380 10 0 AEAEMO C[C@@H]1C[NH2+][C@H](CC(F)(F)F)SC1 575505473 352431044 /nfs/dbraw/zinc/43/10/44/352431044.db2.gz XXNZETFIAFOJSK-RITPCOANSA-N 1 1 199.241 2.237 10 0 AEAEMO C[C@@H]1CC[NH2+][C@@H](CC(F)(F)F)S1 575505353 352431054 /nfs/dbraw/zinc/43/10/54/352431054.db2.gz UHCTVRVJEOBROF-PHDIDXHHSA-N 1 1 199.241 2.380 10 0 AEAEMO Cc1nc(C(=[NH2+])NC(C)(C)C)cs1 575505534 352431566 /nfs/dbraw/zinc/43/15/66/352431566.db2.gz PKVQCDYMCCAERV-UHFFFAOYSA-N 1 1 197.307 2.165 10 0 AEAEMO Cc1occc1[C@@H]([NH3+])c1cncs1 575514977 352486162 /nfs/dbraw/zinc/48/61/62/352486162.db2.gz NNNVYIRGDSXAEA-SECBINFHSA-N 1 1 194.259 2.093 10 0 AEAEMO Cc1occc1[C@H]([NH3+])c1cncs1 575514981 352486522 /nfs/dbraw/zinc/48/65/22/352486522.db2.gz NNNVYIRGDSXAEA-VIFPVBQESA-N 1 1 194.259 2.093 10 0 AEAEMO Cc1ccc(-c2cncs2)c(N)[nH+]1 575515103 352486928 /nfs/dbraw/zinc/48/69/28/352486928.db2.gz MNNOHHNPWYZQSK-UHFFFAOYSA-N 1 1 191.259 2.096 10 0 AEAEMO Cc1ccc(-c2cscn2)c(N)[nH+]1 575524088 352528025 /nfs/dbraw/zinc/52/80/25/352528025.db2.gz ACWXUPJHJDJQTB-UHFFFAOYSA-N 1 1 191.259 2.096 10 0 AEAEMO Cc1ccc(-c2ccsn2)c(N)[nH+]1 575526795 352541576 /nfs/dbraw/zinc/54/15/76/352541576.db2.gz ZBXIOTBSTUXFKT-UHFFFAOYSA-N 1 1 191.259 2.096 10 0 AEAEMO [NH3+]CC(=O)c1cc2cscc2s1 575533933 352573093 /nfs/dbraw/zinc/57/30/93/352573093.db2.gz KLJVLXQXCXLWNB-UHFFFAOYSA-N 1 1 197.284 2.104 10 0 AEAEMO CCNc1ccc2c(c1)C[N@H+](C)C2 575535683 352580688 /nfs/dbraw/zinc/58/06/88/352580688.db2.gz ZMJSKLMRIFHIJE-UHFFFAOYSA-N 1 1 176.263 2.064 10 0 AEAEMO C[C@@H]1CCCCN(c2[nH]cc[nH+]2)C1 575535943 352581265 /nfs/dbraw/zinc/58/12/65/352581265.db2.gz RHTBLDPUBSEWFL-SECBINFHSA-N 1 1 179.267 2.036 10 0 AEAEMO C[C@H]1CCCCN(c2[nH]cc[nH+]2)C1 575535944 352581509 /nfs/dbraw/zinc/58/15/09/352581509.db2.gz RHTBLDPUBSEWFL-VIFPVBQESA-N 1 1 179.267 2.036 10 0 AEAEMO Cc1cocc1[C@H]([NH3+])c1ccsn1 575539027 352597426 /nfs/dbraw/zinc/59/74/26/352597426.db2.gz SFJRGQKACMWLCF-VIFPVBQESA-N 1 1 194.259 2.093 10 0 AEAEMO Cc1cocc1[C@@H]([NH3+])c1ccsn1 575539026 352597863 /nfs/dbraw/zinc/59/78/63/352597863.db2.gz SFJRGQKACMWLCF-SECBINFHSA-N 1 1 194.259 2.093 10 0 AEAEMO Cc1cc(Cl)ccc1C1(F)C[NH2+]C1 575542641 352611485 /nfs/dbraw/zinc/61/14/85/352611485.db2.gz XOFQULQCVOPFER-UHFFFAOYSA-N 1 1 199.656 2.416 10 0 AEAEMO CC(F)(F)C[NH2+][C@H]1CC1(C)C 575545228 352621329 /nfs/dbraw/zinc/62/13/29/352621329.db2.gz JPALCNBFGSILHO-LURJTMIESA-N 1 1 163.211 2.030 10 0 AEAEMO CC(F)(F)C[NH2+][C@@H]1CC1(C)C 575545229 352621617 /nfs/dbraw/zinc/62/16/17/352621617.db2.gz JPALCNBFGSILHO-ZCFIWIBFSA-N 1 1 163.211 2.030 10 0 AEAEMO C[C@H]1C[C@]1(C)[NH2+]CC(C)(F)F 575546356 352624782 /nfs/dbraw/zinc/62/47/82/352624782.db2.gz RBZMAONVMKSMGU-BQBZGAKWSA-N 1 1 163.211 2.030 10 0 AEAEMO C[C@@H]1C[C@@]1(C)[NH2+]CC(C)(F)F 575546358 352625097 /nfs/dbraw/zinc/62/50/97/352625097.db2.gz RBZMAONVMKSMGU-RNFRBKRXSA-N 1 1 163.211 2.030 10 0 AEAEMO C[C@@H]1C[C@]1(C)[NH2+]CC(C)(F)F 575546359 352625116 /nfs/dbraw/zinc/62/51/16/352625116.db2.gz RBZMAONVMKSMGU-RQJHMYQMSA-N 1 1 163.211 2.030 10 0 AEAEMO C[C@H]1C[C@@]1(C)[NH2+]CC(C)(F)F 575546357 352625147 /nfs/dbraw/zinc/62/51/47/352625147.db2.gz RBZMAONVMKSMGU-NKWVEPMBSA-N 1 1 163.211 2.030 10 0 AEAEMO C[N@@H+]1CCC[C@H]1C(=O)c1cccs1 575546544 352625697 /nfs/dbraw/zinc/62/56/97/352625697.db2.gz SKRIATDBASEILJ-QMMMGPOBSA-N 1 1 195.287 2.025 10 0 AEAEMO C[N@H+]1CCC[C@H]1C(=O)c1cccs1 575546544 352625701 /nfs/dbraw/zinc/62/57/01/352625701.db2.gz SKRIATDBASEILJ-QMMMGPOBSA-N 1 1 195.287 2.025 10 0 AEAEMO C[N@@H+]1CCC[C@@H]1C(=O)c1cccs1 575546543 352625812 /nfs/dbraw/zinc/62/58/12/352625812.db2.gz SKRIATDBASEILJ-MRVPVSSYSA-N 1 1 195.287 2.025 10 0 AEAEMO C[N@H+]1CCC[C@@H]1C(=O)c1cccs1 575546543 352625815 /nfs/dbraw/zinc/62/58/15/352625815.db2.gz SKRIATDBASEILJ-MRVPVSSYSA-N 1 1 195.287 2.025 10 0 AEAEMO CC(=O)[C@@H](C)[N@H+]1CC(C)(C)C1(C)C 575553995 352651101 /nfs/dbraw/zinc/65/11/01/352651101.db2.gz CDDPVUQMVZDUOW-MRVPVSSYSA-N 1 1 183.295 2.084 10 0 AEAEMO CC(=O)[C@H](C)[N@H+]1CC(C)(C)C1(C)C 575553997 352651243 /nfs/dbraw/zinc/65/12/43/352651243.db2.gz CDDPVUQMVZDUOW-QMMMGPOBSA-N 1 1 183.295 2.084 10 0 AEAEMO CSc1ccc(C2(F)C[NH2+]C2)cc1 575556178 352659222 /nfs/dbraw/zinc/65/92/22/352659222.db2.gz NVFWTOOXYVLHMN-UHFFFAOYSA-N 1 1 197.278 2.177 10 0 AEAEMO CC1(C)CN(c2[nH]cc[nH+]2)C1(C)C 575562418 352685932 /nfs/dbraw/zinc/68/59/32/352685932.db2.gz SLSQNPDNLVHVEX-UHFFFAOYSA-N 1 1 179.267 2.035 10 0 AEAEMO CN(c1[nH]cc[nH+]1)[C@@H]1CCC1(C)C 575562389 352686024 /nfs/dbraw/zinc/68/60/24/352686024.db2.gz MTEBBOKIYLHJRT-MRVPVSSYSA-N 1 1 179.267 2.035 10 0 AEAEMO CN(c1[nH]cc[nH+]1)[C@H]1CCC1(C)C 575562390 352686110 /nfs/dbraw/zinc/68/61/10/352686110.db2.gz MTEBBOKIYLHJRT-QMMMGPOBSA-N 1 1 179.267 2.035 10 0 AEAEMO CC1(C)C[C@@]1(C)[NH2+]CC(F)F 575563555 352691473 /nfs/dbraw/zinc/69/14/73/352691473.db2.gz NMJOQLNDSTWHKU-MRVPVSSYSA-N 1 1 163.211 2.030 10 0 AEAEMO CC1(C)C[C@]1(C)[NH2+]CC(F)F 575563556 352691541 /nfs/dbraw/zinc/69/15/41/352691541.db2.gz NMJOQLNDSTWHKU-QMMMGPOBSA-N 1 1 163.211 2.030 10 0 AEAEMO Cc1ccc([C@](C)([NH3+])C(F)F)s1 575567997 352714394 /nfs/dbraw/zinc/71/43/94/352714394.db2.gz BESQTHXJBKSFMN-QMMMGPOBSA-N 1 1 191.246 2.496 10 0 AEAEMO Cc1ccc([C@@](C)([NH3+])C(F)F)s1 575567991 352714421 /nfs/dbraw/zinc/71/44/21/352714421.db2.gz BESQTHXJBKSFMN-MRVPVSSYSA-N 1 1 191.246 2.496 10 0 AEAEMO C[C@@]([NH3+])(c1ccsc1)C(F)F 575568898 352718485 /nfs/dbraw/zinc/71/84/85/352718485.db2.gz GCLPRODBIOXFLL-SSDOTTSWSA-N 1 1 177.219 2.187 10 0 AEAEMO C[C@]([NH3+])(c1ccsc1)C(F)F 575568934 352718645 /nfs/dbraw/zinc/71/86/45/352718645.db2.gz GCLPRODBIOXFLL-ZETCQYMHSA-N 1 1 177.219 2.187 10 0 AEAEMO CCC(C)(C)c1ccc[nH+]c1N 575569262 352719859 /nfs/dbraw/zinc/71/98/59/352719859.db2.gz HPZOJRUYNMGEPN-UHFFFAOYSA-N 1 1 164.252 2.351 10 0 AEAEMO Cc1cc([C@@](C)([NH3+])C(F)F)cs1 575572662 352737555 /nfs/dbraw/zinc/73/75/55/352737555.db2.gz SJYCWEJRXUFJMF-MRVPVSSYSA-N 1 1 191.246 2.496 10 0 AEAEMO Cc1cc([C@](C)([NH3+])C(F)F)cs1 575572664 352737627 /nfs/dbraw/zinc/73/76/27/352737627.db2.gz SJYCWEJRXUFJMF-QMMMGPOBSA-N 1 1 191.246 2.496 10 0 AEAEMO Cc1sccc1[C@](C)([NH3+])C(F)F 575572762 352738190 /nfs/dbraw/zinc/73/81/90/352738190.db2.gz SSRVBSGGZAZWRE-QMMMGPOBSA-N 1 1 191.246 2.496 10 0 AEAEMO Cc1sccc1[C@@](C)([NH3+])C(F)F 575572760 352738297 /nfs/dbraw/zinc/73/82/97/352738297.db2.gz SSRVBSGGZAZWRE-MRVPVSSYSA-N 1 1 191.246 2.496 10 0 AEAEMO Cc1ccsc1[C@@](C)([NH3+])C(F)F 575573286 352740972 /nfs/dbraw/zinc/74/09/72/352740972.db2.gz WKNSIOBPVGFFBX-MRVPVSSYSA-N 1 1 191.246 2.496 10 0 AEAEMO Cc1ccsc1[C@](C)([NH3+])C(F)F 575573287 352741181 /nfs/dbraw/zinc/74/11/81/352741181.db2.gz WKNSIOBPVGFFBX-QMMMGPOBSA-N 1 1 191.246 2.496 10 0 AEAEMO C[C@@H]1CCC[C@H]1N(C)c1[nH]cc[nH+]1 575574699 352747049 /nfs/dbraw/zinc/74/70/49/352747049.db2.gz WVUYVJZIXIAQOZ-RKDXNWHRSA-N 1 1 179.267 2.035 10 0 AEAEMO C[C@H]1CCC[C@H]1N(C)c1[nH]cc[nH+]1 575574697 352747099 /nfs/dbraw/zinc/74/70/99/352747099.db2.gz WVUYVJZIXIAQOZ-DTWKUNHWSA-N 1 1 179.267 2.035 10 0 AEAEMO C[C@H]1CCC[C@@H]1N(C)c1[nH]cc[nH+]1 575574698 352747351 /nfs/dbraw/zinc/74/73/51/352747351.db2.gz WVUYVJZIXIAQOZ-IUCAKERBSA-N 1 1 179.267 2.035 10 0 AEAEMO C[C@@H]1CCC[C@@H]1N(C)c1[nH]cc[nH+]1 575574696 352747578 /nfs/dbraw/zinc/74/75/78/352747578.db2.gz WVUYVJZIXIAQOZ-BDAKNGLRSA-N 1 1 179.267 2.035 10 0 AEAEMO C[N@H+]1CCCC[C@H]1C1=NC(=O)CS1 575575021 352749256 /nfs/dbraw/zinc/74/92/56/352749256.db2.gz REFWSYVJRKHWHG-ZETCQYMHSA-N 1 1 198.291 2.006 10 0 AEAEMO C[N@H+]1CCCC[C@@H]1C1=NC(=O)CS1 575575017 352749522 /nfs/dbraw/zinc/74/95/22/352749522.db2.gz REFWSYVJRKHWHG-SSDOTTSWSA-N 1 1 198.291 2.006 10 0 AEAEMO CC(=O)[C@@H](C)[N@H+]1CCCC[C@@H](C)C1 575575838 352753827 /nfs/dbraw/zinc/75/38/27/352753827.db2.gz NVZXDWUKJVCXPS-NXEZZACHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(=O)[C@@H](C)[N@H+]1CCCC[C@H](C)C1 575575842 352754084 /nfs/dbraw/zinc/75/40/84/352754084.db2.gz NVZXDWUKJVCXPS-VHSXEESVSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(=O)[C@H](C)[N@H+]1CCCC[C@H](C)C1 575575841 352754120 /nfs/dbraw/zinc/75/41/20/352754120.db2.gz NVZXDWUKJVCXPS-UWVGGRQHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(=O)[C@H](C)[N@H+]1CCCC[C@@H](C)C1 575575845 352754146 /nfs/dbraw/zinc/75/41/46/352754146.db2.gz NVZXDWUKJVCXPS-ZJUUUORDSA-N 1 1 183.295 2.086 10 0 AEAEMO Cc1ccc(N[C@@H](C)CF)[nH+]c1 575580170 352775700 /nfs/dbraw/zinc/77/57/00/352775700.db2.gz QIYPOGGHHWVFRV-QMMMGPOBSA-N 1 1 168.215 2.160 10 0 AEAEMO Cc1ccc(N[C@H](C)CF)[nH+]c1 575580168 352775810 /nfs/dbraw/zinc/77/58/10/352775810.db2.gz QIYPOGGHHWVFRV-MRVPVSSYSA-N 1 1 168.215 2.160 10 0 AEAEMO Cc1cc[nH+]c(N[C@H](C)CF)c1 575580422 352777070 /nfs/dbraw/zinc/77/70/70/352777070.db2.gz SUUATOKLVQUGNH-MRVPVSSYSA-N 1 1 168.215 2.160 10 0 AEAEMO Cc1cccc(N[C@@H](C)CF)[nH+]1 575580460 352777160 /nfs/dbraw/zinc/77/71/60/352777160.db2.gz UOKMHKBNKUOOLZ-QMMMGPOBSA-N 1 1 168.215 2.160 10 0 AEAEMO Cc1cccc(N[C@H](C)CF)[nH+]1 575580459 352777249 /nfs/dbraw/zinc/77/72/49/352777249.db2.gz UOKMHKBNKUOOLZ-MRVPVSSYSA-N 1 1 168.215 2.160 10 0 AEAEMO Cc1cc[nH+]c(N[C@@H](C)CF)c1 575580423 352777418 /nfs/dbraw/zinc/77/74/18/352777418.db2.gz SUUATOKLVQUGNH-QMMMGPOBSA-N 1 1 168.215 2.160 10 0 AEAEMO C[C@H]1C[C@]1(C)Nc1cc[nH+]cc1Cl 575580608 352777887 /nfs/dbraw/zinc/77/78/87/352777887.db2.gz VIOVXGAAJVJKFG-XVKPBYJWSA-N 1 1 196.681 2.367 10 0 AEAEMO C[C@@H]1C[C@]1(C)Nc1cc[nH+]cc1Cl 575580607 352777989 /nfs/dbraw/zinc/77/79/89/352777989.db2.gz VIOVXGAAJVJKFG-XCBNKYQSSA-N 1 1 196.681 2.367 10 0 AEAEMO C[C@H]1C[C@@]1(C)Nc1cc[nH+]cc1Cl 575580606 352778054 /nfs/dbraw/zinc/77/80/54/352778054.db2.gz VIOVXGAAJVJKFG-OIBJUYFYSA-N 1 1 196.681 2.367 10 0 AEAEMO C[C@@H]1C[C@@]1(C)Nc1cc[nH+]cc1Cl 575580605 352778109 /nfs/dbraw/zinc/77/81/09/352778109.db2.gz VIOVXGAAJVJKFG-GMSGAONNSA-N 1 1 196.681 2.367 10 0 AEAEMO CC1(C)CC(c2cnc(C[NH3+])o2)C1 575584353 352796577 /nfs/dbraw/zinc/79/65/77/352796577.db2.gz UXPAETHWYSKSMF-UHFFFAOYSA-N 1 1 180.251 2.037 10 0 AEAEMO Cc1ccc(C2(F)C[NH2+]C2)c(Cl)c1 575585822 352804513 /nfs/dbraw/zinc/80/45/13/352804513.db2.gz XVMWROGMSLYEMF-UHFFFAOYSA-N 1 1 199.656 2.416 10 0 AEAEMO Cc1cocc1[C@H]([NH3+])c1ccns1 575591255 352831315 /nfs/dbraw/zinc/83/13/15/352831315.db2.gz JXTDJZBMOHUNSI-VIFPVBQESA-N 1 1 194.259 2.093 10 0 AEAEMO Cc1cocc1[C@@H]([NH3+])c1ccns1 575591252 352831334 /nfs/dbraw/zinc/83/13/34/352831334.db2.gz JXTDJZBMOHUNSI-SECBINFHSA-N 1 1 194.259 2.093 10 0 AEAEMO C[C@@H]1CC[N@@H+]1Cc1ccnc(Cl)c1 575597080 352859170 /nfs/dbraw/zinc/85/91/70/352859170.db2.gz ZYJSSGIBHMAUCL-MRVPVSSYSA-N 1 1 196.681 2.329 10 0 AEAEMO C[C@@H]1CC[N@H+]1Cc1ccnc(Cl)c1 575597080 352859171 /nfs/dbraw/zinc/85/91/71/352859171.db2.gz ZYJSSGIBHMAUCL-MRVPVSSYSA-N 1 1 196.681 2.329 10 0 AEAEMO C[C@H]1CC[N@@H+]1Cc1ccnc(Cl)c1 575597084 352859184 /nfs/dbraw/zinc/85/91/84/352859184.db2.gz ZYJSSGIBHMAUCL-QMMMGPOBSA-N 1 1 196.681 2.329 10 0 AEAEMO C[C@H]1CC[N@H+]1Cc1ccnc(Cl)c1 575597084 352859185 /nfs/dbraw/zinc/85/91/85/352859185.db2.gz ZYJSSGIBHMAUCL-QMMMGPOBSA-N 1 1 196.681 2.329 10 0 AEAEMO C[C@@H]1CC[N@@H+]1Cc1cccc(Cl)n1 575599395 352862173 /nfs/dbraw/zinc/86/21/73/352862173.db2.gz JTVRESXOEFEVAM-MRVPVSSYSA-N 1 1 196.681 2.329 10 0 AEAEMO C[C@@H]1CC[N@H+]1Cc1cccc(Cl)n1 575599395 352862177 /nfs/dbraw/zinc/86/21/77/352862177.db2.gz JTVRESXOEFEVAM-MRVPVSSYSA-N 1 1 196.681 2.329 10 0 AEAEMO C[C@H]1CC[N@@H+]1Cc1cccc(Cl)n1 575599396 352862206 /nfs/dbraw/zinc/86/22/06/352862206.db2.gz JTVRESXOEFEVAM-QMMMGPOBSA-N 1 1 196.681 2.329 10 0 AEAEMO C[C@H]1CC[N@H+]1Cc1cccc(Cl)n1 575599396 352862210 /nfs/dbraw/zinc/86/22/10/352862210.db2.gz JTVRESXOEFEVAM-QMMMGPOBSA-N 1 1 196.681 2.329 10 0 AEAEMO CC1C[NH+](Cc2ccnc(Cl)c2)C1 575599999 352862886 /nfs/dbraw/zinc/86/28/86/352862886.db2.gz BNHMSLQMSQMTSQ-UHFFFAOYSA-N 1 1 196.681 2.187 10 0 AEAEMO O=C1C[C@@H]2CCC[C@H]3CCC[C@H](C1)[N@H+]32 584658669 352909825 /nfs/dbraw/zinc/90/98/25/352909825.db2.gz GBACHHZJYQACTQ-RTCCRHLQSA-N 1 1 193.290 2.125 10 0 AEAEMO C[C@H]1C[N@H+]([C@@H]2C=CCCC2)C[C@@H](C)O1 590400332 352913417 /nfs/dbraw/zinc/91/34/17/352913417.db2.gz BOXHIJLDIHXEJG-GRYCIOLGSA-N 1 1 195.306 2.204 10 0 AEAEMO C[C@H]1C[N@H+]([C@H]2C=CCCC2)C[C@@H](C)O1 590400337 352913587 /nfs/dbraw/zinc/91/35/87/352913587.db2.gz BOXHIJLDIHXEJG-TUAOUCFPSA-N 1 1 195.306 2.204 10 0 AEAEMO CCSCC[N@@H+](C)C(C)(C)C 590594660 352914752 /nfs/dbraw/zinc/91/47/52/352914752.db2.gz GYXRKLDBGYWNMW-UHFFFAOYSA-N 1 1 175.341 2.470 10 0 AEAEMO C[N@@H+](CCOCC1CC1)C1CCCC1 607725913 352926520 /nfs/dbraw/zinc/92/65/20/352926520.db2.gz FNXCCQNTFYRKMI-UHFFFAOYSA-N 1 1 197.322 2.287 10 0 AEAEMO CCOCCC[N@@H+](C)Cc1ccco1 607725345 352926748 /nfs/dbraw/zinc/92/67/48/352926748.db2.gz BEUYMXOYRKCSPS-UHFFFAOYSA-N 1 1 197.278 2.138 10 0 AEAEMO CCSCC[N@@H+](C)Cc1ccc[nH]1 610477068 352927252 /nfs/dbraw/zinc/92/72/52/352927252.db2.gz CTTBKCOHZOCFMT-UHFFFAOYSA-N 1 1 198.335 2.200 10 0 AEAEMO CSCC[N@H+]1CC[C@@H](C)[C@H](C)C1 611236543 352928624 /nfs/dbraw/zinc/92/86/24/352928624.db2.gz PAUQCWKXZHFAFR-NXEZZACHSA-N 1 1 187.352 2.327 10 0 AEAEMO CSCC[N@H+]1CC[C@H](C)[C@@H](C)C1 611236544 352928895 /nfs/dbraw/zinc/92/88/95/352928895.db2.gz PAUQCWKXZHFAFR-UWVGGRQHSA-N 1 1 187.352 2.327 10 0 AEAEMO CSCC[N@H+]1CC[C@@H](C)[C@@H](C)C1 611236546 352929127 /nfs/dbraw/zinc/92/91/27/352929127.db2.gz PAUQCWKXZHFAFR-ZJUUUORDSA-N 1 1 187.352 2.327 10 0 AEAEMO CSCC[N@H+]1CC[C@H](C)[C@H](C)C1 611236545 352929176 /nfs/dbraw/zinc/92/91/76/352929176.db2.gz PAUQCWKXZHFAFR-VHSXEESVSA-N 1 1 187.352 2.327 10 0 AEAEMO CC(C)SCC[N@@H+](C)CC1CC1 619779247 352933481 /nfs/dbraw/zinc/93/34/81/352933481.db2.gz KYGANPUCOKANLP-UHFFFAOYSA-N 1 1 187.352 2.470 10 0 AEAEMO CCCCC[N@H+]1C[C@@H]2CCC[C@H](C1)N2 643065068 352935984 /nfs/dbraw/zinc/93/59/84/352935984.db2.gz SRSBSKBFOXPOLD-TXEJJXNPSA-N 1 1 196.338 2.003 10 0 AEAEMO CCCCCN1C[C@@H]2CCC[C@H](C1)[NH2+]2 643065068 352935985 /nfs/dbraw/zinc/93/59/85/352935985.db2.gz SRSBSKBFOXPOLD-TXEJJXNPSA-N 1 1 196.338 2.003 10 0 AEAEMO CCC(C)(C)CC[N@@H+]1C[C@H](C)[C@H](N)C1 643074094 352936597 /nfs/dbraw/zinc/93/65/97/352936597.db2.gz PZORCSZOTXCMAV-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(C)(C)CC[N@H+]1C[C@H](C)[C@H](N)C1 643074094 352936599 /nfs/dbraw/zinc/93/65/99/352936599.db2.gz PZORCSZOTXCMAV-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(C)(C)CC[N@H+]1C[C@H](C)[C@@H](N)C1 643074093 352936727 /nfs/dbraw/zinc/93/67/27/352936727.db2.gz PZORCSZOTXCMAV-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(C)(C)CC[N@@H+]1C[C@@H](C)[C@@H](N)C1 643074092 352936774 /nfs/dbraw/zinc/93/67/74/352936774.db2.gz PZORCSZOTXCMAV-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(C)(C)CC[N@H+]1C[C@@H](C)[C@@H](N)C1 643074092 352936775 /nfs/dbraw/zinc/93/67/75/352936775.db2.gz PZORCSZOTXCMAV-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(C)(C)CC[N@H+]1C[C@@H](N)[C@H](C)C1 643074091 352936890 /nfs/dbraw/zinc/93/68/90/352936890.db2.gz PZORCSZOTXCMAV-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(C)(C)CC[N@@H+]1C[C@@H](N)[C@H](C)C1 643074091 352936892 /nfs/dbraw/zinc/93/68/92/352936892.db2.gz PZORCSZOTXCMAV-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(C)(C)CC[N@@H+]1CC[C@H](N)[C@@H]1C 643075357 352936911 /nfs/dbraw/zinc/93/69/11/352936911.db2.gz DGDGFDNGVNHUOZ-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC(C)(C)CC[N@H+]1CC[C@H](N)[C@@H]1C 643075357 352936913 /nfs/dbraw/zinc/93/69/13/352936913.db2.gz DGDGFDNGVNHUOZ-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO CC/C=C/CC[N@H+]1C[C@H](O)CC[C@H]1C 643254777 352942220 /nfs/dbraw/zinc/94/22/20/352942220.db2.gz AINHACLKYCCAOD-GKUNOOHESA-N 1 1 197.322 2.188 10 0 AEAEMO CC/C=C\CC[N@H+]1C[C@H](O)CC[C@H]1C 643254780 352942726 /nfs/dbraw/zinc/94/27/26/352942726.db2.gz AINHACLKYCCAOD-XLMCQVRKSA-N 1 1 197.322 2.188 10 0 AEAEMO CC(C)=CC[N@H+](C(C)C)[C@H]1CCOC1 643346461 352947855 /nfs/dbraw/zinc/94/78/55/352947855.db2.gz QGNWEEFEOYLPTD-LBPRGKRZSA-N 1 1 197.322 2.452 10 0 AEAEMO CC(C)=CC[N@H+](C(C)C)[C@@H]1CCOC1 643346458 352948092 /nfs/dbraw/zinc/94/80/92/352948092.db2.gz QGNWEEFEOYLPTD-GFCCVEGCSA-N 1 1 197.322 2.452 10 0 AEAEMO CC[N@@H+](CC1(C)CCC1)[C@H]1CCOC1 643353362 352949132 /nfs/dbraw/zinc/94/91/32/352949132.db2.gz ZMBNANUJAZGYAT-NSHDSACASA-N 1 1 197.322 2.287 10 0 AEAEMO CC[N@@H+](CC1CCCC1)[C@@H]1CCOC1 643353436 352949152 /nfs/dbraw/zinc/94/91/52/352949152.db2.gz LLIVGZFDLUQLAB-GFCCVEGCSA-N 1 1 197.322 2.287 10 0 AEAEMO CC[N@@H+](CC1(C)CCC1)[C@@H]1CCOC1 643353360 352949260 /nfs/dbraw/zinc/94/92/60/352949260.db2.gz ZMBNANUJAZGYAT-LLVKDONJSA-N 1 1 197.322 2.287 10 0 AEAEMO CC[N@@H+](CC1CCCC1)[C@H]1CCOC1 643353437 352949452 /nfs/dbraw/zinc/94/94/52/352949452.db2.gz LLIVGZFDLUQLAB-LBPRGKRZSA-N 1 1 197.322 2.287 10 0 AEAEMO COCC1(C[N@H+]2CC[C@H](C)C2)CCC1 643368294 352949801 /nfs/dbraw/zinc/94/98/01/352949801.db2.gz HIBRLBXCRAOZJW-NSHDSACASA-N 1 1 197.322 2.145 10 0 AEAEMO CC(C)[N@@H+](CCC1CC1)[C@H]1CCOC1 643387679 352949814 /nfs/dbraw/zinc/94/98/14/352949814.db2.gz VCSUMHIZHTXNTA-LBPRGKRZSA-N 1 1 197.322 2.286 10 0 AEAEMO COCC1(C[N@H+]2CC[C@@H](C)C2)CCC1 643368293 352950011 /nfs/dbraw/zinc/95/00/11/352950011.db2.gz HIBRLBXCRAOZJW-LLVKDONJSA-N 1 1 197.322 2.145 10 0 AEAEMO CC(C)[N@@H+](CC1CCC1)[C@@H]1CCOC1 643388098 352950050 /nfs/dbraw/zinc/95/00/50/352950050.db2.gz KCYPBFUZQIJLCT-GFCCVEGCSA-N 1 1 197.322 2.286 10 0 AEAEMO CC(C)[N@@H+](CC1CCC1)[C@H]1CCOC1 643388099 352950110 /nfs/dbraw/zinc/95/01/10/352950110.db2.gz KCYPBFUZQIJLCT-LBPRGKRZSA-N 1 1 197.322 2.286 10 0 AEAEMO COCC1(C[N@@H+](C)CC(C)C)CCC1 643368037 352950126 /nfs/dbraw/zinc/95/01/26/352950126.db2.gz FQCQTOAFUCGENZ-UHFFFAOYSA-N 1 1 199.338 2.391 10 0 AEAEMO COCC1(C[N@@H+](C)CC2CC2)CCC1 643366385 352950216 /nfs/dbraw/zinc/95/02/16/352950216.db2.gz DYGFBWCQFQRIDA-UHFFFAOYSA-N 1 1 197.322 2.145 10 0 AEAEMO CC(C)[N@@H+](CCC1CC1)[C@@H]1CCOC1 643387678 352950310 /nfs/dbraw/zinc/95/03/10/352950310.db2.gz VCSUMHIZHTXNTA-GFCCVEGCSA-N 1 1 197.322 2.286 10 0 AEAEMO CC/C=C/CC[N@@H+](CC)[C@H]1CCOC1 643400993 352950798 /nfs/dbraw/zinc/95/07/98/352950798.db2.gz YQEFCNDRJNIBGU-FYJFLYSWSA-N 1 1 197.322 2.454 10 0 AEAEMO CC/C=C\CC[N@@H+](CC)[C@@H]1CCOC1 643400992 352951098 /nfs/dbraw/zinc/95/10/98/352951098.db2.gz YQEFCNDRJNIBGU-FOQNGQEVSA-N 1 1 197.322 2.454 10 0 AEAEMO CC/C=C\CC[N@@H+](CC)[C@H]1CCOC1 643400991 352951207 /nfs/dbraw/zinc/95/12/07/352951207.db2.gz YQEFCNDRJNIBGU-FJOGCWAESA-N 1 1 197.322 2.454 10 0 AEAEMO CC/C=C/CC[N@@H+](CC)[C@@H]1CCOC1 643400990 352951240 /nfs/dbraw/zinc/95/12/40/352951240.db2.gz YQEFCNDRJNIBGU-BTDICHCPSA-N 1 1 197.322 2.454 10 0 AEAEMO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2N)C1 643451681 352951721 /nfs/dbraw/zinc/95/17/21/352951721.db2.gz IJBKIIVGAXCRIV-RHYQMDGZSA-N 1 1 196.338 2.035 10 0 AEAEMO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2N)C1 643451680 352951778 /nfs/dbraw/zinc/95/17/78/352951778.db2.gz IJBKIIVGAXCRIV-NOOOWODRSA-N 1 1 196.338 2.035 10 0 AEAEMO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2N)C1 643451679 352951953 /nfs/dbraw/zinc/95/19/53/352951953.db2.gz IJBKIIVGAXCRIV-KXNHARMFSA-N 1 1 196.338 2.035 10 0 AEAEMO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2N)C1 643451682 352951966 /nfs/dbraw/zinc/95/19/66/352951966.db2.gz IJBKIIVGAXCRIV-WRWGMCAJSA-N 1 1 196.338 2.035 10 0 AEAEMO CC(C)[C@@H](C)CN[C@H](C)[C@@H]1CCC[NH2+]1 643456899 352955512 /nfs/dbraw/zinc/95/55/12/352955512.db2.gz MBAISWHKUPPDIV-TUAOUCFPSA-N 1 1 198.354 2.009 10 0 AEAEMO CC(C)[C@@H](C)CN[C@@H](C)[C@@H]1CCC[NH2+]1 643456898 352955759 /nfs/dbraw/zinc/95/57/59/352955759.db2.gz MBAISWHKUPPDIV-SRVKXCTJSA-N 1 1 198.354 2.009 10 0 AEAEMO CC(C)[C@@H](C)CN[C@@H](C)[C@H]1CCC[NH2+]1 643456897 352955819 /nfs/dbraw/zinc/95/58/19/352955819.db2.gz MBAISWHKUPPDIV-SDDRHHMPSA-N 1 1 198.354 2.009 10 0 AEAEMO CC(C)[C@@H](C)CN[C@H](C)[C@H]1CCC[NH2+]1 643456896 352955833 /nfs/dbraw/zinc/95/58/33/352955833.db2.gz MBAISWHKUPPDIV-QJPTWQEYSA-N 1 1 198.354 2.009 10 0 AEAEMO CCCC1(C[NH2+][C@H]2CCC[C@H]2N)CC1 643467000 352956943 /nfs/dbraw/zinc/95/69/43/352956943.db2.gz HCPMIPZZTNHIDW-MNOVXSKESA-N 1 1 196.338 2.036 10 0 AEAEMO CCCC1(C[NH2+][C@@H]2CCC[C@@H]2N)CC1 643467002 352957411 /nfs/dbraw/zinc/95/74/11/352957411.db2.gz HCPMIPZZTNHIDW-WDEREUQCSA-N 1 1 196.338 2.036 10 0 AEAEMO CCCC1(C[NH2+][C@@H]2CCC[C@H]2N)CC1 643466999 352957517 /nfs/dbraw/zinc/95/75/17/352957517.db2.gz HCPMIPZZTNHIDW-GHMZBOCLSA-N 1 1 196.338 2.036 10 0 AEAEMO C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2N)CC1 643469013 352957840 /nfs/dbraw/zinc/95/78/40/352957840.db2.gz ANZSDSQCCUWSMU-BJDJZHNGSA-N 1 1 196.338 2.035 10 0 AEAEMO C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2N)CC1 643469016 352957877 /nfs/dbraw/zinc/95/78/77/352957877.db2.gz ANZSDSQCCUWSMU-KKOKHZNYSA-N 1 1 196.338 2.035 10 0 AEAEMO C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2N)CC1 643469015 352958167 /nfs/dbraw/zinc/95/81/67/352958167.db2.gz ANZSDSQCCUWSMU-FIQHERPVSA-N 1 1 196.338 2.035 10 0 AEAEMO C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2N)CC1 643469014 352958247 /nfs/dbraw/zinc/95/82/47/352958247.db2.gz ANZSDSQCCUWSMU-DDHJBXDOSA-N 1 1 196.338 2.035 10 0 AEAEMO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCCC[C@@H]1N 643488970 352963383 /nfs/dbraw/zinc/96/33/83/352963383.db2.gz BOKABLIRIPSKFI-RHYQMDGZSA-N 1 1 196.338 2.035 10 0 AEAEMO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCCC[C@@H]1N 643488963 352963639 /nfs/dbraw/zinc/96/36/39/352963639.db2.gz BOKABLIRIPSKFI-NOOOWODRSA-N 1 1 196.338 2.035 10 0 AEAEMO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCCC[C@H]1N 643488971 352963674 /nfs/dbraw/zinc/96/36/74/352963674.db2.gz BOKABLIRIPSKFI-WISYIIOYSA-N 1 1 196.338 2.035 10 0 AEAEMO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCCC[C@H]1N 643488973 352963685 /nfs/dbraw/zinc/96/36/85/352963685.db2.gz BOKABLIRIPSKFI-WYUUTHIRSA-N 1 1 196.338 2.035 10 0 AEAEMO CC/C=C/CN[C@@H]1CCCCC[C@@H]1[NH3+] 643492367 352966116 /nfs/dbraw/zinc/96/61/16/352966116.db2.gz FYQBHODZFSHODE-AKCLXAHESA-N 1 1 196.338 2.202 10 0 AEAEMO CC/C=C/C[NH2+][C@@H]1CCCCC[C@@H]1N 643492367 352966113 /nfs/dbraw/zinc/96/61/13/352966113.db2.gz FYQBHODZFSHODE-AKCLXAHESA-N 1 1 196.338 2.202 10 0 AEAEMO CC/C=C\C[NH2+][C@@H]1CCCCC[C@H]1N 643492366 352966126 /nfs/dbraw/zinc/96/61/26/352966126.db2.gz FYQBHODZFSHODE-ACYZNUEOSA-N 1 1 196.338 2.202 10 0 AEAEMO CC/C=C\CN[C@@H]1CCCCC[C@H]1[NH3+] 643492366 352966129 /nfs/dbraw/zinc/96/61/29/352966129.db2.gz FYQBHODZFSHODE-ACYZNUEOSA-N 1 1 196.338 2.202 10 0 AEAEMO CC/C=C\C[NH2+][C@@H]1CCCCC[C@@H]1N 643492369 352966228 /nfs/dbraw/zinc/96/62/28/352966228.db2.gz FYQBHODZFSHODE-MOKYYMMQSA-N 1 1 196.338 2.202 10 0 AEAEMO CC/C=C\CN[C@@H]1CCCCC[C@@H]1[NH3+] 643492369 352966232 /nfs/dbraw/zinc/96/62/32/352966232.db2.gz FYQBHODZFSHODE-MOKYYMMQSA-N 1 1 196.338 2.202 10 0 AEAEMO CC/C=C/C[NH2+][C@@H]1CCCCC[C@H]1N 643492368 352966284 /nfs/dbraw/zinc/96/62/84/352966284.db2.gz FYQBHODZFSHODE-BKZLJMBUSA-N 1 1 196.338 2.202 10 0 AEAEMO CC/C=C/CN[C@@H]1CCCCC[C@H]1[NH3+] 643492368 352966285 /nfs/dbraw/zinc/96/62/85/352966285.db2.gz FYQBHODZFSHODE-BKZLJMBUSA-N 1 1 196.338 2.202 10 0 AEAEMO CC[C@H](C)[NH2+]CC1(N)CCCCCC1 643498569 352972058 /nfs/dbraw/zinc/97/20/58/352972058.db2.gz CGSADMHIMGTENW-NSHDSACASA-N 1 1 198.354 2.426 10 0 AEAEMO CC[C@@H](C)[NH2+]CC1(N)CCCCCC1 643498568 352972074 /nfs/dbraw/zinc/97/20/74/352972074.db2.gz CGSADMHIMGTENW-LLVKDONJSA-N 1 1 198.354 2.426 10 0 AEAEMO C[NH2+]CCN[C@@H](C)CCC(C)(C)C 643504694 352976971 /nfs/dbraw/zinc/97/69/71/352976971.db2.gz YQCSDELZXUFBRD-JTQLQIEISA-N 1 1 186.343 2.010 10 0 AEAEMO C[NH2+]CCN[C@H](C)CCC(C)(C)C 643504695 352977056 /nfs/dbraw/zinc/97/70/56/352977056.db2.gz YQCSDELZXUFBRD-SNVBAGLBSA-N 1 1 186.343 2.010 10 0 AEAEMO CC[NH2+]CCN[C@H]1CC[C@@H]1C(C)(C)C 643505438 352977565 /nfs/dbraw/zinc/97/75/65/352977565.db2.gz ICDCLVRYWMLVJD-QWRGUYRKSA-N 1 1 198.354 2.010 10 0 AEAEMO CC[NH2+]CCN[C@@H]1CC[C@H]1C(C)(C)C 643505436 352977979 /nfs/dbraw/zinc/97/79/79/352977979.db2.gz ICDCLVRYWMLVJD-GHMZBOCLSA-N 1 1 198.354 2.010 10 0 AEAEMO CC[NH2+]CCN[C@H]1CC[C@H]1C(C)(C)C 643505437 352977988 /nfs/dbraw/zinc/97/79/88/352977988.db2.gz ICDCLVRYWMLVJD-MNOVXSKESA-N 1 1 198.354 2.010 10 0 AEAEMO CC[NH2+]CCN[C@@H]1CC[C@@H]1C(C)(C)C 643505439 352978251 /nfs/dbraw/zinc/97/82/51/352978251.db2.gz ICDCLVRYWMLVJD-WDEREUQCSA-N 1 1 198.354 2.010 10 0 AEAEMO CC(C)CC(CC(C)C)NC1C[NH2+]C1 643509513 352980892 /nfs/dbraw/zinc/98/08/92/352980892.db2.gz HMUPKYUGARLPMK-UHFFFAOYSA-N 1 1 198.354 2.009 10 0 AEAEMO CC(C)(N)C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C 643513474 352984264 /nfs/dbraw/zinc/98/42/64/352984264.db2.gz YLPDVQAJAXKFRM-VHSXEESVSA-N 1 1 198.354 2.138 10 0 AEAEMO CCC(N)(CC)C[NH2+][C@H](C)[C@H]1C[C@@H]1C 643513930 352984414 /nfs/dbraw/zinc/98/44/14/352984414.db2.gz PDUNUFDTVBVUGI-AXFHLTTASA-N 1 1 198.354 2.138 10 0 AEAEMO CCC(N)(CC)C[NH2+][C@H](C)[C@@H]1C[C@@H]1C 643513932 352984464 /nfs/dbraw/zinc/98/44/64/352984464.db2.gz PDUNUFDTVBVUGI-HBNTYKKESA-N 1 1 198.354 2.138 10 0 AEAEMO CCC(N)(CC)C[NH2+][C@H](C)[C@H]1C[C@H]1C 643513933 352984590 /nfs/dbraw/zinc/98/45/90/352984590.db2.gz PDUNUFDTVBVUGI-MXWKQRLJSA-N 1 1 198.354 2.138 10 0 AEAEMO CCC(N)(CC)C[NH2+][C@H](C)[C@@H]1C[C@H]1C 643513931 352984812 /nfs/dbraw/zinc/98/48/12/352984812.db2.gz PDUNUFDTVBVUGI-GMTAPVOTSA-N 1 1 198.354 2.138 10 0 AEAEMO CC(C)(N)C[NH2+][C@@H]1CC[C@H]1C(C)(C)C 643513472 352984873 /nfs/dbraw/zinc/98/48/73/352984873.db2.gz YLPDVQAJAXKFRM-NXEZZACHSA-N 1 1 198.354 2.138 10 0 AEAEMO CC(C)(N)C[NH2+][C@H]1CC[C@H]1C(C)(C)C 643513475 352984887 /nfs/dbraw/zinc/98/48/87/352984887.db2.gz YLPDVQAJAXKFRM-ZJUUUORDSA-N 1 1 198.354 2.138 10 0 AEAEMO CC(C)(N)C[NH2+][C@H]1CC[C@@H]1C(C)(C)C 643513473 352984897 /nfs/dbraw/zinc/98/48/97/352984897.db2.gz YLPDVQAJAXKFRM-UWVGGRQHSA-N 1 1 198.354 2.138 10 0 AEAEMO CCCNCC[NH2+]C1CC(C(C)C)C1 643515148 352986474 /nfs/dbraw/zinc/98/64/74/352986474.db2.gz NVAQDRHRHCIIOD-UHFFFAOYSA-N 1 1 198.354 2.010 10 0 AEAEMO CCCNCC[NH2+][C@H](C)[C@@H]1CC1(C)C 643515209 352986642 /nfs/dbraw/zinc/98/66/42/352986642.db2.gz GBQKPOBGNJWZGP-MNOVXSKESA-N 1 1 198.354 2.010 10 0 AEAEMO CCCNCC[NH2+][C@H](C)[C@H]1CC1(C)C 643515208 352986704 /nfs/dbraw/zinc/98/67/04/352986704.db2.gz GBQKPOBGNJWZGP-GHMZBOCLSA-N 1 1 198.354 2.010 10 0 AEAEMO CCCNCC[NH2+][C@@H](C)[C@H]1CC1(C)C 643515211 352986861 /nfs/dbraw/zinc/98/68/61/352986861.db2.gz GBQKPOBGNJWZGP-WDEREUQCSA-N 1 1 198.354 2.010 10 0 AEAEMO CCCNCC[NH2+][C@@H](C)[C@@H]1CC1(C)C 643515210 352986904 /nfs/dbraw/zinc/98/69/04/352986904.db2.gz GBQKPOBGNJWZGP-QWRGUYRKSA-N 1 1 198.354 2.010 10 0 AEAEMO C[C@H](N)C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 643525882 352992429 /nfs/dbraw/zinc/99/24/29/352992429.db2.gz GQRZSVQLWDWHBM-DCAQKATOSA-N 1 1 198.354 2.138 10 0 AEAEMO C[C@H](N)C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 643525883 352992582 /nfs/dbraw/zinc/99/25/82/352992582.db2.gz GQRZSVQLWDWHBM-GARJFASQSA-N 1 1 198.354 2.138 10 0 AEAEMO C[C@H](N)C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 643525884 352992969 /nfs/dbraw/zinc/99/29/69/352992969.db2.gz GQRZSVQLWDWHBM-OUAUKWLOSA-N 1 1 198.354 2.138 10 0 AEAEMO C[C@H](N)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 643525885 352993231 /nfs/dbraw/zinc/99/32/31/352993231.db2.gz GQRZSVQLWDWHBM-VWYCJHECSA-N 1 1 198.354 2.138 10 0 AEAEMO C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H](C)N 643527893 352994503 /nfs/dbraw/zinc/99/45/03/352994503.db2.gz URWJFDNXLFOUKM-ZJUUUORDSA-N 1 1 186.343 2.138 10 0 AEAEMO C[C@H](N)C[NH2+][C@H](C)CCC(C)(C)C 643527892 352994507 /nfs/dbraw/zinc/99/45/07/352994507.db2.gz URWJFDNXLFOUKM-VHSXEESVSA-N 1 1 186.343 2.138 10 0 AEAEMO C[C@@H](N)C[NH2+][C@H](C)CCC(C)(C)C 643527890 352994554 /nfs/dbraw/zinc/99/45/54/352994554.db2.gz URWJFDNXLFOUKM-NXEZZACHSA-N 1 1 186.343 2.138 10 0 AEAEMO C[C@H](N)C[NH2+][C@@H](C)CCC(C)(C)C 643527891 352994577 /nfs/dbraw/zinc/99/45/77/352994577.db2.gz URWJFDNXLFOUKM-UWVGGRQHSA-N 1 1 186.343 2.138 10 0 AEAEMO C[C@@H](N)C[NH2+][C@H](C)C1CCCCCC1 643527646 352994717 /nfs/dbraw/zinc/99/47/17/352994717.db2.gz QDBQLQPDMIGSKM-GHMZBOCLSA-N 1 1 198.354 2.282 10 0 AEAEMO C[C@H](N)C[NH2+][C@@H](C)C1CCCCCC1 643527648 352994753 /nfs/dbraw/zinc/99/47/53/352994753.db2.gz QDBQLQPDMIGSKM-QWRGUYRKSA-N 1 1 198.354 2.282 10 0 AEAEMO C[C@H]([NH2+]C[C@@H](C)N)C1CCCCCC1 643527647 352994842 /nfs/dbraw/zinc/99/48/42/352994842.db2.gz QDBQLQPDMIGSKM-MNOVXSKESA-N 1 1 198.354 2.282 10 0 AEAEMO C[C@H](N)C[NH2+][C@H](C)C1CCCCCC1 643527649 352994952 /nfs/dbraw/zinc/99/49/52/352994952.db2.gz QDBQLQPDMIGSKM-WDEREUQCSA-N 1 1 198.354 2.282 10 0 AEAEMO CCN[C@H](C)C[NH2+][C@@H](C)[C@H]1CC1(C)C 643529990 352997343 /nfs/dbraw/zinc/99/73/43/352997343.db2.gz UWRIRWFWNLUKFI-OUAUKWLOSA-N 1 1 198.354 2.009 10 0 AEAEMO CCN[C@H](C)C[NH2+][C@H](C)[C@@H]1CC1(C)C 643529989 352997796 /nfs/dbraw/zinc/99/77/96/352997796.db2.gz UWRIRWFWNLUKFI-MXWKQRLJSA-N 1 1 198.354 2.009 10 0 AEAEMO CCN[C@H](C)C[NH2+][C@@H](C)[C@@H]1CC1(C)C 643529991 352997828 /nfs/dbraw/zinc/99/78/28/352997828.db2.gz UWRIRWFWNLUKFI-VWYCJHECSA-N 1 1 198.354 2.009 10 0 AEAEMO CCN[C@H](C)C[NH2+][C@H](C)[C@H]1CC1(C)C 643529988 352997882 /nfs/dbraw/zinc/99/78/82/352997882.db2.gz UWRIRWFWNLUKFI-GMTAPVOTSA-N 1 1 198.354 2.009 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+]C1[C@H](C)CCC[C@H]1C 643539845 353000696 /nfs/dbraw/zinc/00/06/96/353000696.db2.gz CFXOOHFHKLERON-ZNSHCXBVSA-N 1 1 198.354 2.136 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+][C@@H]1[C@@H](C)CCC[C@H]1C 643539842 353000719 /nfs/dbraw/zinc/00/07/19/353000719.db2.gz CFXOOHFHKLERON-KZZRWZIVSA-N 1 1 198.354 2.136 10 0 AEAEMO CC(C)=CCC[C@H](C)[NH2+][C@H](C)[C@@H](C)N 643539780 353000830 /nfs/dbraw/zinc/00/08/30/353000830.db2.gz IITYRSIUTPPECF-QJPTWQEYSA-N 1 1 198.354 2.447 10 0 AEAEMO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)[C@@H](C)N 643539783 353000834 /nfs/dbraw/zinc/00/08/34/353000834.db2.gz IITYRSIUTPPECF-TUAOUCFPSA-N 1 1 198.354 2.447 10 0 AEAEMO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)[C@H](C)N 643539782 353000881 /nfs/dbraw/zinc/00/08/81/353000881.db2.gz IITYRSIUTPPECF-SRVKXCTJSA-N 1 1 198.354 2.447 10 0 AEAEMO C[C@H](N)[C@@H](C)[NH2+][C@@H]1[C@@H](C)CCC[C@H]1C 643539844 353000928 /nfs/dbraw/zinc/00/09/28/353000928.db2.gz CFXOOHFHKLERON-RNWYCLNJSA-N 1 1 198.354 2.136 10 0 AEAEMO C[C@H]1CCC[C@H](C)C1[NH2+][C@@H](C)[C@H](C)N 643539843 353000947 /nfs/dbraw/zinc/00/09/47/353000947.db2.gz CFXOOHFHKLERON-NAKRPEOUSA-N 1 1 198.354 2.136 10 0 AEAEMO CC(C)=CCC[C@H](C)[NH2+][C@H](C)[C@H](C)N 643539781 353000964 /nfs/dbraw/zinc/00/09/64/353000964.db2.gz IITYRSIUTPPECF-SDDRHHMPSA-N 1 1 198.354 2.447 10 0 AEAEMO C[C@H](N)[C@@H](C)[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C 643540151 353001344 /nfs/dbraw/zinc/00/13/44/353001344.db2.gz RVKKVJGHRQHYER-YBXAARCKSA-N 1 1 198.354 2.136 10 0 AEAEMO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@H](C)N 643539914 353001388 /nfs/dbraw/zinc/00/13/88/353001388.db2.gz TYYUBSPAFZHCJJ-USZNOCQGSA-N 1 1 198.354 2.136 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C 643540150 353001413 /nfs/dbraw/zinc/00/14/13/353001413.db2.gz RVKKVJGHRQHYER-WTPMCQDGSA-N 1 1 198.354 2.136 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCCC12CCC2 643540162 353001430 /nfs/dbraw/zinc/00/14/30/353001430.db2.gz SNTHFHFPKPUPSQ-GARJFASQSA-N 1 1 196.338 2.035 10 0 AEAEMO C[C@H](N)[C@@H](C)[NH2+][C@H]1CCCC12CCC2 643540160 353001462 /nfs/dbraw/zinc/00/14/62/353001462.db2.gz SNTHFHFPKPUPSQ-AXFHLTTASA-N 1 1 196.338 2.035 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+][C@H]1CCCC12CCC2 643540161 353001489 /nfs/dbraw/zinc/00/14/89/353001489.db2.gz SNTHFHFPKPUPSQ-DCAQKATOSA-N 1 1 196.338 2.035 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+][C@H]1CC(C)(C)C[C@@H]1C 643540096 353001512 /nfs/dbraw/zinc/00/15/12/353001512.db2.gz JAOPQRBEVFTHRS-NAKRPEOUSA-N 1 1 198.354 2.136 10 0 AEAEMO C[C@H](N)[C@@H](C)[NH2+][C@H]1CCC12CCCC2 643540066 353001530 /nfs/dbraw/zinc/00/15/30/353001530.db2.gz DKVWXQDPWIANKZ-AXFHLTTASA-N 1 1 196.338 2.035 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCC12CCCC2 643540068 353001539 /nfs/dbraw/zinc/00/15/39/353001539.db2.gz DKVWXQDPWIANKZ-GARJFASQSA-N 1 1 196.338 2.035 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+][C@@H]1CC(C)(C)C[C@@H]1C 643540099 353001541 /nfs/dbraw/zinc/00/15/41/353001541.db2.gz JAOPQRBEVFTHRS-XWLWVQCSSA-N 1 1 198.354 2.136 10 0 AEAEMO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@@H](C)N 643539913 353001545 /nfs/dbraw/zinc/00/15/45/353001545.db2.gz TYYUBSPAFZHCJJ-RHYQMDGZSA-N 1 1 198.354 2.136 10 0 AEAEMO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)[C@H](C)N 643540080 353001549 /nfs/dbraw/zinc/00/15/49/353001549.db2.gz GXOBRMQCOIGJGA-GUBZILKMSA-N 1 1 186.343 2.136 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+][C@@H]1CC[C@@H]1C(C)(C)C 643540065 353001558 /nfs/dbraw/zinc/00/15/58/353001558.db2.gz CPHDNZIARJEPIN-XWLWVQCSSA-N 1 1 198.354 2.136 10 0 AEAEMO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@@H](C)N 643539915 353001561 /nfs/dbraw/zinc/00/15/61/353001561.db2.gz TYYUBSPAFZHCJJ-WYUUTHIRSA-N 1 1 198.354 2.136 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+][C@@H]1CC(C)(C)C[C@H]1C 643540098 353001568 /nfs/dbraw/zinc/00/15/68/353001568.db2.gz JAOPQRBEVFTHRS-VPOLOUISSA-N 1 1 198.354 2.136 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+][C@@H]1CC[C@H]1C(C)(C)C 643540064 353001581 /nfs/dbraw/zinc/00/15/81/353001581.db2.gz CPHDNZIARJEPIN-UKKRHICBSA-N 1 1 198.354 2.136 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+][C@H]1CC[C@H]1C(C)(C)C 643540062 353001589 /nfs/dbraw/zinc/00/15/89/353001589.db2.gz CPHDNZIARJEPIN-MMWGEVLESA-N 1 1 198.354 2.136 10 0 AEAEMO C[C@H]([NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)[C@@H](C)N 643540148 353001639 /nfs/dbraw/zinc/00/16/39/353001639.db2.gz RVKKVJGHRQHYER-CSYMLDBXSA-N 1 1 198.354 2.136 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+][C@H]1CC[C@@H]1C(C)(C)C 643540063 353001644 /nfs/dbraw/zinc/00/16/44/353001644.db2.gz CPHDNZIARJEPIN-NAKRPEOUSA-N 1 1 198.354 2.136 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+][C@H]1CC(C)(C)C[C@H]1C 643540097 353001670 /nfs/dbraw/zinc/00/16/70/353001670.db2.gz JAOPQRBEVFTHRS-RCWTZXSCSA-N 1 1 198.354 2.136 10 0 AEAEMO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@H](C)N 643539912 353001679 /nfs/dbraw/zinc/00/16/79/353001679.db2.gz TYYUBSPAFZHCJJ-BJDJZHNGSA-N 1 1 198.354 2.136 10 0 AEAEMO CCC(C)(C)[C@H](C)[NH2+][C@H](C)[C@@H](C)N 643540079 353001704 /nfs/dbraw/zinc/00/17/04/353001704.db2.gz GXOBRMQCOIGJGA-BBBLOLIVSA-N 1 1 186.343 2.136 10 0 AEAEMO C[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H](C)[C@@H](C)N 643540149 353001708 /nfs/dbraw/zinc/00/17/08/353001708.db2.gz RVKKVJGHRQHYER-IYKVGLELSA-N 1 1 198.354 2.136 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+][C@H]1CCC12CCCC2 643540067 353001715 /nfs/dbraw/zinc/00/17/15/353001715.db2.gz DKVWXQDPWIANKZ-DCAQKATOSA-N 1 1 196.338 2.035 10 0 AEAEMO CCC(C)(C)[C@H](C)[NH2+][C@H](C)[C@H](C)N 643540078 353001725 /nfs/dbraw/zinc/00/17/25/353001725.db2.gz GXOBRMQCOIGJGA-AEJSXWLSSA-N 1 1 186.343 2.136 10 0 AEAEMO C[C@H](N)[C@@H](C)[NH2+][C@@H]1CCCC12CCC2 643540163 353001735 /nfs/dbraw/zinc/00/17/35/353001735.db2.gz SNTHFHFPKPUPSQ-HBNTYKKESA-N 1 1 196.338 2.035 10 0 AEAEMO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)[C@@H](C)N 643540081 353001740 /nfs/dbraw/zinc/00/17/40/353001740.db2.gz GXOBRMQCOIGJGA-UTLUCORTSA-N 1 1 186.343 2.136 10 0 AEAEMO C[C@H](N)[C@@H](C)[NH2+][C@@H]1CCC12CCCC2 643540069 353001775 /nfs/dbraw/zinc/00/17/75/353001775.db2.gz DKVWXQDPWIANKZ-HBNTYKKESA-N 1 1 196.338 2.035 10 0 AEAEMO CC[C@H](N)C[NH2+][C@@H]1CC[C@H]1C(C)(C)C 643540736 353003141 /nfs/dbraw/zinc/00/31/41/353003141.db2.gz HCRKBQYKCABLIQ-HBNTYKKESA-N 1 1 198.354 2.138 10 0 AEAEMO CC[C@H](N)C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C 643540735 353003390 /nfs/dbraw/zinc/00/33/90/353003390.db2.gz HCRKBQYKCABLIQ-GARJFASQSA-N 1 1 198.354 2.138 10 0 AEAEMO CC[C@H](N)C[NH2+][C@H]1CC[C@@H]1C(C)(C)C 643540734 353003467 /nfs/dbraw/zinc/00/34/67/353003467.db2.gz HCRKBQYKCABLIQ-DCAQKATOSA-N 1 1 198.354 2.138 10 0 AEAEMO Cc1nc(-c2[nH]cnc2C)cs1 211679062 371707982 /nfs/dbraw/zinc/70/79/82/371707982.db2.gz USLWNUXXYSUOPG-UHFFFAOYSA-N 1 1 179.248 2.150 10 0 AEAEMO C[C@H]1C[C@@H](C)C[N@H+]1[C@@H]1CCC[C@@H](O)C1 222655454 371716619 /nfs/dbraw/zinc/71/66/19/371716619.db2.gz VKWAMHUAMQEJKF-WRWGMCAJSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@@H]1CC[C@H]([N@@H+](C)CC2(O)CCC2)C1 335889508 371803044 /nfs/dbraw/zinc/80/30/44/371803044.db2.gz XNZBUZLJBDEGPU-MNOVXSKESA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H]1CC[N@@H+]1Cc1ncc(C)s1 306239800 371746991 /nfs/dbraw/zinc/74/69/91/371746991.db2.gz KFUZRDWPHZANCD-SECBINFHSA-N 1 1 196.319 2.436 10 0 AEAEMO CC[C@@H]1CC[N@H+]1Cc1ncc(C)s1 306239800 371746994 /nfs/dbraw/zinc/74/69/94/371746994.db2.gz KFUZRDWPHZANCD-SECBINFHSA-N 1 1 196.319 2.436 10 0 AEAEMO c1ncc(C[N@H+]2C[C@H]3CCC[C@H]32)s1 306492291 371756524 /nfs/dbraw/zinc/75/65/24/371756524.db2.gz PXNAXKCKFIDFHT-PSASIEDQSA-N 1 1 194.303 2.127 10 0 AEAEMO c1ncc(C[N@H+]2C[C@@H]3CCC[C@H]32)s1 306492295 371756662 /nfs/dbraw/zinc/75/66/62/371756662.db2.gz PXNAXKCKFIDFHT-WCBMZHEXSA-N 1 1 194.303 2.127 10 0 AEAEMO c1ncc(C[N@H+]2C[C@H]3CCC[C@@H]32)s1 306492294 371756922 /nfs/dbraw/zinc/75/69/22/371756922.db2.gz PXNAXKCKFIDFHT-SCZZXKLOSA-N 1 1 194.303 2.127 10 0 AEAEMO c1ncc(C[N@H+]2C[C@@H]3CCC[C@@H]32)s1 306492297 371757002 /nfs/dbraw/zinc/75/70/02/371757002.db2.gz PXNAXKCKFIDFHT-WPRPVWTQSA-N 1 1 194.303 2.127 10 0 AEAEMO CC(C)C[N@H+]1[C@@H](C)C[C@H]1C 307048957 371771387 /nfs/dbraw/zinc/77/13/87/371771387.db2.gz CJDWUXBCSQZDRG-DTORHVGOSA-N 1 1 141.258 2.125 10 0 AEAEMO C[C@@H]1CC[N@H+](C2CCC2)CCS1 307104087 371772221 /nfs/dbraw/zinc/77/22/21/371772221.db2.gz CELRETOHFURRFJ-SECBINFHSA-N 1 1 185.336 2.366 10 0 AEAEMO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCCCNC1 319471884 371786459 /nfs/dbraw/zinc/78/64/59/371786459.db2.gz DGELETFQFWMKEI-TUAOUCFPSA-N 1 1 198.354 2.153 10 0 AEAEMO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCCNC1 319471882 371786482 /nfs/dbraw/zinc/78/64/82/371786482.db2.gz DGELETFQFWMKEI-SRVKXCTJSA-N 1 1 198.354 2.153 10 0 AEAEMO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCCNC1 319471879 371786673 /nfs/dbraw/zinc/78/66/73/371786673.db2.gz DGELETFQFWMKEI-QJPTWQEYSA-N 1 1 198.354 2.153 10 0 AEAEMO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCCNC1 319471880 371787692 /nfs/dbraw/zinc/78/76/92/371787692.db2.gz DGELETFQFWMKEI-SDDRHHMPSA-N 1 1 198.354 2.153 10 0 AEAEMO C[C@@H]1CC(C)(C)C[N@@H+]1[C@H](C)C(N)=O 335189138 371801186 /nfs/dbraw/zinc/80/11/86/371801186.db2.gz KKOYGXHTFUTJPQ-HTQZYQBOSA-N 1 1 184.283 2.031 10 0 AEAEMO C[C@H]1CC(C)(C)C[N@@H+]1[C@H](C)C(N)=O 335189139 371801277 /nfs/dbraw/zinc/80/12/77/371801277.db2.gz KKOYGXHTFUTJPQ-JGVFFNPUSA-N 1 1 184.283 2.031 10 0 AEAEMO C[C@H]1CC(C)(C)C[N@@H+]1[C@@H](C)C(N)=O 335189141 371801309 /nfs/dbraw/zinc/80/13/09/371801309.db2.gz KKOYGXHTFUTJPQ-YUMQZZPRSA-N 1 1 184.283 2.031 10 0 AEAEMO C[C@H]1CC(C)(C)C[N@H+]1Cc1cc[nH]n1 335191492 371801597 /nfs/dbraw/zinc/80/15/97/371801597.db2.gz QFCBMHBKRBYAOB-VIFPVBQESA-N 1 1 193.294 2.030 10 0 AEAEMO C[C@H]1CC(C)(C)C[N@H+]1Cc1ccno1 335189776 371801936 /nfs/dbraw/zinc/80/19/36/371801936.db2.gz MAPUQJNZPQHTEI-VIFPVBQESA-N 1 1 194.278 2.295 10 0 AEAEMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1cc[nH]n1 335191474 371801979 /nfs/dbraw/zinc/80/19/79/371801979.db2.gz QFCBMHBKRBYAOB-SECBINFHSA-N 1 1 193.294 2.030 10 0 AEAEMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccno1 335189775 371802030 /nfs/dbraw/zinc/80/20/30/371802030.db2.gz MAPUQJNZPQHTEI-SECBINFHSA-N 1 1 194.278 2.295 10 0 AEAEMO C[C@@H]1CC[C@@H]([N@@H+](C)CC2(O)CCC2)C1 335889507 371803122 /nfs/dbraw/zinc/80/31/22/371803122.db2.gz XNZBUZLJBDEGPU-GHMZBOCLSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)[C@H](O)C[N@H+]1CCCC12CCC2 336131535 371805032 /nfs/dbraw/zinc/80/50/32/371805032.db2.gz ZTHWHCMTARPIBO-LLVKDONJSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)[C@@H](O)C[N@H+]1CCCC12CCC2 336131536 371805622 /nfs/dbraw/zinc/80/56/22/371805622.db2.gz ZTHWHCMTARPIBO-NSHDSACASA-N 1 1 197.322 2.022 10 0 AEAEMO COCCC[N@@H+](C)[C@H](C)CC(C)C 613408074 371865741 /nfs/dbraw/zinc/86/57/41/371865741.db2.gz DYKIVODZOZUAHK-LLVKDONJSA-N 1 1 187.327 2.389 10 0 AEAEMO COCCC[N@@H+](C)[C@@H](C)CC(C)C 613408075 371866171 /nfs/dbraw/zinc/86/61/71/371866171.db2.gz DYKIVODZOZUAHK-NSHDSACASA-N 1 1 187.327 2.389 10 0 AEAEMO CC[N@@H+](CCCOC)CC(C)C 613416404 371866351 /nfs/dbraw/zinc/86/63/51/371866351.db2.gz HZWKGPXVEWFPBH-UHFFFAOYSA-N 1 1 173.300 2.001 10 0 AEAEMO CCC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1N 643973497 371871967 /nfs/dbraw/zinc/87/19/67/371871967.db2.gz FBZXBEICJWDGHK-QJPTWQEYSA-N 1 1 198.354 2.282 10 0 AEAEMO CCC[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1N 643973496 371872213 /nfs/dbraw/zinc/87/22/13/371872213.db2.gz FBZXBEICJWDGHK-IJLUTSLNSA-N 1 1 198.354 2.282 10 0 AEAEMO CCC[N@@H+](CC)Cc1cc(C)ncn1 644660962 371894069 /nfs/dbraw/zinc/89/40/69/371894069.db2.gz ZPLGMDJCTOWTEJ-UHFFFAOYSA-N 1 1 193.294 2.017 10 0 AEAEMO CCCC[N@@H+](C)Cc1cc(C)ncn1 644655186 371894360 /nfs/dbraw/zinc/89/43/60/371894360.db2.gz QBRYMXVUXZITAF-UHFFFAOYSA-N 1 1 193.294 2.017 10 0 AEAEMO CCC[N@@H+](C)[C@@H](C)c1cnc(C)cn1 644661600 371896102 /nfs/dbraw/zinc/89/61/02/371896102.db2.gz HAVFCVDAMCEAQJ-JTQLQIEISA-N 1 1 193.294 2.188 10 0 AEAEMO CCC[N@@H+](C)[C@H](C)c1cnc(C)cn1 644661601 371896389 /nfs/dbraw/zinc/89/63/89/371896389.db2.gz HAVFCVDAMCEAQJ-SNVBAGLBSA-N 1 1 193.294 2.188 10 0 AEAEMO CC[C@H](C)[N@@H+](C)Cc1cc(C)ncn1 644676108 371898005 /nfs/dbraw/zinc/89/80/05/371898005.db2.gz BORGJCPOUIACTB-JTQLQIEISA-N 1 1 193.294 2.015 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)Cc1cc(C)ncn1 644676109 371899556 /nfs/dbraw/zinc/89/95/56/371899556.db2.gz BORGJCPOUIACTB-SNVBAGLBSA-N 1 1 193.294 2.015 10 0 AEAEMO CC(C)C[C@H](C)C[N@H+]1CCO[C@H]2C[C@H]21 644717097 371902423 /nfs/dbraw/zinc/90/24/23/371902423.db2.gz ABVMHPOXEAOBRL-TUAOUCFPSA-N 1 1 197.322 2.142 10 0 AEAEMO CC(C)C[C@H](C)C[N@H+]1CCO[C@@H]2C[C@@H]21 644717095 371902802 /nfs/dbraw/zinc/90/28/02/371902802.db2.gz ABVMHPOXEAOBRL-SDDRHHMPSA-N 1 1 197.322 2.142 10 0 AEAEMO C1CCC(C[N@H+]2CCO[C@H]3C[C@H]32)CC1 644716459 371902830 /nfs/dbraw/zinc/90/28/30/371902830.db2.gz SNUKGDBIRXLSEM-NEPJUHHUSA-N 1 1 195.306 2.040 10 0 AEAEMO C1CCC(C[N@H+]2CCO[C@@H]3C[C@@H]32)CC1 644716462 371903059 /nfs/dbraw/zinc/90/30/59/371903059.db2.gz SNUKGDBIRXLSEM-NWDGAFQWSA-N 1 1 195.306 2.040 10 0 AEAEMO CC[C@H]1CC[N@H+]1C[C@@H](O)CCC(C)C 644786294 371907055 /nfs/dbraw/zinc/90/70/55/371907055.db2.gz OCLKZTROJJFDEU-RYUDHWBXSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H]1CC[N@H+]1C[C@@H](O)CCC(C)C 644786292 371907321 /nfs/dbraw/zinc/90/73/21/371907321.db2.gz OCLKZTROJJFDEU-NEPJUHHUSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H]1CC[N@H+]1C[C@H](O)CCC(C)C 644786295 371908318 /nfs/dbraw/zinc/90/83/18/371908318.db2.gz OCLKZTROJJFDEU-VXGBXAGGSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H]1CC[N@H+]1C[C@H](O)CCC(C)C 644786293 371908394 /nfs/dbraw/zinc/90/83/94/371908394.db2.gz OCLKZTROJJFDEU-NWDGAFQWSA-N 1 1 199.338 2.268 10 0 AEAEMO CCOC1CC(C[N@H+]2CC[C@H]2CC)C1 644786410 371909086 /nfs/dbraw/zinc/90/90/86/371909086.db2.gz MWYMEOSWROQTQR-MOENNCHZSA-N 1 1 197.322 2.286 10 0 AEAEMO CCOC1CC(C[N@H+]2CC[C@@H]2CC)C1 644786409 371909158 /nfs/dbraw/zinc/90/91/58/371909158.db2.gz MWYMEOSWROQTQR-CXQJBGSLSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@@H]1CC[N@H+]1CC1(COC)CCC1 644786830 371909634 /nfs/dbraw/zinc/90/96/34/371909634.db2.gz ROMDFQKEMBEZKH-LLVKDONJSA-N 1 1 197.322 2.287 10 0 AEAEMO CC[C@H]1CC[N@H+]1Cc1oc(C)nc1C 644786811 371910118 /nfs/dbraw/zinc/91/01/18/371910118.db2.gz OARPUXXILHEKKP-JTQLQIEISA-N 1 1 194.278 2.276 10 0 AEAEMO CC[C@@H]1CC[N@H+]1Cc1oc(C)nc1C 644786815 371910812 /nfs/dbraw/zinc/91/08/12/371910812.db2.gz OARPUXXILHEKKP-SNVBAGLBSA-N 1 1 194.278 2.276 10 0 AEAEMO CC[C@H]1CC[N@H+]1CC1(COC)CCC1 644786836 371910905 /nfs/dbraw/zinc/91/09/05/371910905.db2.gz ROMDFQKEMBEZKH-NSHDSACASA-N 1 1 197.322 2.287 10 0 AEAEMO CC[C@H]1CC[N@H+]1CC1(OC)CCCC1 644843481 371921165 /nfs/dbraw/zinc/92/11/65/371921165.db2.gz UGCOTXCEPYFBHS-NSHDSACASA-N 1 1 197.322 2.430 10 0 AEAEMO CC[C@@H]1CC[N@H+]1CC1(OC)CCCC1 644843480 371921655 /nfs/dbraw/zinc/92/16/55/371921655.db2.gz UGCOTXCEPYFBHS-LLVKDONJSA-N 1 1 197.322 2.430 10 0 AEAEMO FC(F)CC1C[NH+](CC2(F)CC2)C1 644906854 371926929 /nfs/dbraw/zinc/92/69/29/371926929.db2.gz PYMCOTHAPVURDI-UHFFFAOYSA-N 1 1 193.212 2.076 10 0 AEAEMO C[C@@H]1CC[N@@H+](Cc2cocn2)[C@H](C)C1 644906122 371927477 /nfs/dbraw/zinc/92/74/77/371927477.db2.gz WOMRBZKSYHGFSC-NXEZZACHSA-N 1 1 194.278 2.295 10 0 AEAEMO COC[C@H](C)C[N@H+]1CC[C@@H](C)C[C@H]1C 644906121 371927560 /nfs/dbraw/zinc/92/75/60/371927560.db2.gz UMGJCNJAUFXLIG-IJLUTSLNSA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@@H](C)C[N@H+]1CC[C@@H](C)C[C@H]1C 644906119 371927737 /nfs/dbraw/zinc/92/77/37/371927737.db2.gz UMGJCNJAUFXLIG-GRYCIOLGSA-N 1 1 199.338 2.389 10 0 AEAEMO CO[C@H](C[N@@H+]1CC=C(C)CC1)C1CC1 644928014 371930712 /nfs/dbraw/zinc/93/07/12/371930712.db2.gz ALLGFMAXQSTUKX-GFCCVEGCSA-N 1 1 195.306 2.063 10 0 AEAEMO CO[C@@H](C[N@@H+]1CC=C(C)CC1)C1CC1 644928015 371931134 /nfs/dbraw/zinc/93/11/34/371931134.db2.gz ALLGFMAXQSTUKX-LBPRGKRZSA-N 1 1 195.306 2.063 10 0 AEAEMO c1cnc2c(c1)C[N@H+](CC1CCC1)C2 644933687 371932099 /nfs/dbraw/zinc/93/20/99/371932099.db2.gz KFRQFMKGNXEJFG-UHFFFAOYSA-N 1 1 188.274 2.197 10 0 AEAEMO FCCCC[N@@H+]1Cc2cccnc2C1 644932815 371932271 /nfs/dbraw/zinc/93/22/71/371932271.db2.gz LLTLSGPWXHXTAJ-UHFFFAOYSA-N 1 1 194.253 2.147 10 0 AEAEMO FCCCC[N@H+]1Cc2cccnc2C1 644932815 371932280 /nfs/dbraw/zinc/93/22/80/371932280.db2.gz LLTLSGPWXHXTAJ-UHFFFAOYSA-N 1 1 194.253 2.147 10 0 AEAEMO CO[C@@H](C[N@H+]1CCC=C(C)C1)C1CC1 644932766 371932635 /nfs/dbraw/zinc/93/26/35/371932635.db2.gz DCOCIKKRTIIODH-LBPRGKRZSA-N 1 1 195.306 2.063 10 0 AEAEMO CO[C@H](C[N@H+]1CCC=C(C)C1)C1CC1 644932765 371932723 /nfs/dbraw/zinc/93/27/23/371932723.db2.gz DCOCIKKRTIIODH-GFCCVEGCSA-N 1 1 195.306 2.063 10 0 AEAEMO c1cnc2c(c1)C[N@H+](C1CCCC1)C2 644933256 371932761 /nfs/dbraw/zinc/93/27/61/371932761.db2.gz FCVXBMHEZBEQDB-UHFFFAOYSA-N 1 1 188.274 2.340 10 0 AEAEMO c1cnc2c(c1)C[N@@H+](CCC1CC1)C2 644933237 371932829 /nfs/dbraw/zinc/93/28/29/371932829.db2.gz CGPYWJGVOPUUMD-UHFFFAOYSA-N 1 1 188.274 2.197 10 0 AEAEMO c1cnc2c(c1)C[N@H+](CCC1CC1)C2 644933237 371932830 /nfs/dbraw/zinc/93/28/30/371932830.db2.gz CGPYWJGVOPUUMD-UHFFFAOYSA-N 1 1 188.274 2.197 10 0 AEAEMO C[C@@H]1CC[N@@H+](C[C@H]2CCOC2)[C@H](C)C1 644951161 371935807 /nfs/dbraw/zinc/93/58/07/371935807.db2.gz DHWIPXGIDYFFHB-IJLUTSLNSA-N 1 1 197.322 2.143 10 0 AEAEMO CO[C@H](C)C[N@H+]1CC[C@@H](C)C[C@H]1C 644951139 371936114 /nfs/dbraw/zinc/93/61/14/371936114.db2.gz BFLUDSRUNCLYTJ-GMTAPVOTSA-N 1 1 185.311 2.142 10 0 AEAEMO CO[C@@H](C)C[N@H+]1CC[C@@H](C)C[C@H]1C 644951141 371936513 /nfs/dbraw/zinc/93/65/13/371936513.db2.gz BFLUDSRUNCLYTJ-MXWKQRLJSA-N 1 1 185.311 2.142 10 0 AEAEMO C[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)[C@H](C)C1 644951163 371936556 /nfs/dbraw/zinc/93/65/56/371936556.db2.gz DHWIPXGIDYFFHB-UTUOFQBUSA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@H]1CC[N@@H+](CCC[C@@H]2CCOC2)C1 645789430 371965624 /nfs/dbraw/zinc/96/56/24/371965624.db2.gz ZKVMTXMXAHWICP-NWDGAFQWSA-N 1 1 197.322 2.145 10 0 AEAEMO CCOCC[N@H+]1CC[C@@H](C)C[C@H]1C 644951175 371936646 /nfs/dbraw/zinc/93/66/46/371936646.db2.gz HHOWIIAZRPEGEM-GHMZBOCLSA-N 1 1 185.311 2.143 10 0 AEAEMO C[N@@H+](CC1(C)CCC1)C1(CO)CCC1 645005817 371937616 /nfs/dbraw/zinc/93/76/16/371937616.db2.gz PUYWZRWXFXYGMQ-UHFFFAOYSA-N 1 1 197.322 2.023 10 0 AEAEMO CC[C@H]1CC[N@H+]1CCC1CCOCC1 645005794 371937931 /nfs/dbraw/zinc/93/79/31/371937931.db2.gz NHRJRFZTMJIPBA-LBPRGKRZSA-N 1 1 197.322 2.287 10 0 AEAEMO CC[C@@H]1CC[N@H+]1CCC1CCOCC1 645005793 371938129 /nfs/dbraw/zinc/93/81/29/371938129.db2.gz NHRJRFZTMJIPBA-GFCCVEGCSA-N 1 1 197.322 2.287 10 0 AEAEMO CC[N@@H+](CC1=CCCC1)[C@@H]1CCOC1 645920972 371971304 /nfs/dbraw/zinc/97/13/04/371971304.db2.gz SPJPSIOPJYXTMA-GFCCVEGCSA-N 1 1 195.306 2.208 10 0 AEAEMO CCc1ccc(C[N@@H+](C)C2CC2)nc1 645077124 371941926 /nfs/dbraw/zinc/94/19/26/371941926.db2.gz ZKZYLLOGZJEELZ-UHFFFAOYSA-N 1 1 190.290 2.238 10 0 AEAEMO CCC[N@@H+](C)Cc1ccc(CC)cn1 645081064 371942677 /nfs/dbraw/zinc/94/26/77/371942677.db2.gz LSMXWJDUPMGXQQ-UHFFFAOYSA-N 1 1 192.306 2.486 10 0 AEAEMO COC1(CC[N@H+]2[C@@H](C)C[C@H]2C)CCC1 645134334 371945550 /nfs/dbraw/zinc/94/55/50/371945550.db2.gz ONCDGODGDGJZAN-PHIMTYICSA-N 1 1 197.322 2.428 10 0 AEAEMO COC[C@@H]1CC[N@H+]1C[C@@H](C)CC(C)C 645159169 371947373 /nfs/dbraw/zinc/94/73/73/371947373.db2.gz FJHQIMLTAXOPFE-RYUDHWBXSA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@H]1CC[N@H+]1C[C@H](C)CC(C)C 645159170 371947447 /nfs/dbraw/zinc/94/74/47/371947447.db2.gz FJHQIMLTAXOPFE-VXGBXAGGSA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@@H]1CC[N@H+]1C[C@H](C)CC(C)C 645159167 371948162 /nfs/dbraw/zinc/94/81/62/371948162.db2.gz FJHQIMLTAXOPFE-NEPJUHHUSA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@H]1CC[N@H+]1C[C@@H](C)CC(C)C 645159168 371948764 /nfs/dbraw/zinc/94/87/64/371948764.db2.gz FJHQIMLTAXOPFE-NWDGAFQWSA-N 1 1 199.338 2.389 10 0 AEAEMO C[C@@H](c1ccncc1)[N@H+]1C[C@@H](C)[C@H]1C 645214799 371949635 /nfs/dbraw/zinc/94/96/35/371949635.db2.gz GNKYRBIMBYOARL-MXWKQRLJSA-N 1 1 190.290 2.483 10 0 AEAEMO C[C@@H]1C[N@@H+](C[C@@H]2CCC(C)(C)O2)[C@@H]1C 645215807 371951703 /nfs/dbraw/zinc/95/17/03/371951703.db2.gz LGJGOZOKAJMKRM-MXWKQRLJSA-N 1 1 197.322 2.284 10 0 AEAEMO COC[C@H]1CC[N@H+]1CC1CCCCC1 645160509 371949944 /nfs/dbraw/zinc/94/99/44/371949944.db2.gz TYAMHVWXXPYGKJ-GFCCVEGCSA-N 1 1 197.322 2.287 10 0 AEAEMO C[C@@H]1C[N@H+]([C@H](C)c2ccncc2)[C@@H]1C 645214798 371950009 /nfs/dbraw/zinc/95/00/09/371950009.db2.gz GNKYRBIMBYOARL-GMTAPVOTSA-N 1 1 190.290 2.483 10 0 AEAEMO C[C@@H](c1ccncc1)[N@H+]1C[C@@H](C)[C@@H]1C 645214801 371950099 /nfs/dbraw/zinc/95/00/99/371950099.db2.gz GNKYRBIMBYOARL-VWYCJHECSA-N 1 1 190.290 2.483 10 0 AEAEMO COC[C@@H]1CC[N@H+]1CC1CCCCC1 645160510 371950210 /nfs/dbraw/zinc/95/02/10/371950210.db2.gz TYAMHVWXXPYGKJ-LBPRGKRZSA-N 1 1 197.322 2.287 10 0 AEAEMO C[C@H]1[C@H](C)C[N@@H+]1[C@H](C)c1ccncc1 645214800 371950480 /nfs/dbraw/zinc/95/04/80/371950480.db2.gz GNKYRBIMBYOARL-OUAUKWLOSA-N 1 1 190.290 2.483 10 0 AEAEMO C[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)[C@@H]1C 645216740 371951689 /nfs/dbraw/zinc/95/16/89/371951689.db2.gz XVLNXRIZDQFBRO-UTUOFQBUSA-N 1 1 197.322 2.286 10 0 AEAEMO COC1(CC[N@H+]2C[C@@H](C)[C@@H]2C)CCC1 645216238 371951715 /nfs/dbraw/zinc/95/17/15/371951715.db2.gz KXYWKYWVBJYYMI-MNOVXSKESA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H](c1cccnc1)[N@H+]1C[C@@H](C)[C@@H]1C 645216196 371951730 /nfs/dbraw/zinc/95/17/30/371951730.db2.gz UOIBHXMOODLDBK-VWYCJHECSA-N 1 1 190.290 2.483 10 0 AEAEMO C[C@H]1C[N@@H+](C[C@@H]2CCO[C@H](C)C2)[C@@H]1C 645215821 371951737 /nfs/dbraw/zinc/95/17/37/371951737.db2.gz SKICZMCMJRFPOH-IRCOFANPSA-N 1 1 197.322 2.142 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1CC[C@H]1CCCCO1 645216738 371951745 /nfs/dbraw/zinc/95/17/45/371951745.db2.gz XVLNXRIZDQFBRO-GRYCIOLGSA-N 1 1 197.322 2.286 10 0 AEAEMO CC(C)CC[C@H](O)C[N@H+]1C[C@@H](C)[C@H]1C 645216308 371951782 /nfs/dbraw/zinc/95/17/82/371951782.db2.gz VJZOHGMVOCFOBH-UTUOFQBUSA-N 1 1 199.338 2.124 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1CC[C@@H]1CCCCO1 645216741 371951847 /nfs/dbraw/zinc/95/18/47/371951847.db2.gz XVLNXRIZDQFBRO-WOPDTQHZSA-N 1 1 197.322 2.286 10 0 AEAEMO CC(C)CC[C@H](O)C[N@H+]1C[C@H](C)[C@@H]1C 645216306 371951860 /nfs/dbraw/zinc/95/18/60/371951860.db2.gz VJZOHGMVOCFOBH-SRVKXCTJSA-N 1 1 199.338 2.124 10 0 AEAEMO CC(C)CC[C@H](O)C[N@H+]1C[C@@H](C)[C@@H]1C 645216309 371951880 /nfs/dbraw/zinc/95/18/80/371951880.db2.gz VJZOHGMVOCFOBH-WOPDTQHZSA-N 1 1 199.338 2.124 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1C[C@@H]1CCC(C)(C)O1 645215809 371951909 /nfs/dbraw/zinc/95/19/09/371951909.db2.gz LGJGOZOKAJMKRM-VWYCJHECSA-N 1 1 197.322 2.284 10 0 AEAEMO CC(C)CC[C@H](O)C[N@H+]1C[C@H](C)[C@H]1C 645216307 371951920 /nfs/dbraw/zinc/95/19/20/371951920.db2.gz VJZOHGMVOCFOBH-TUAOUCFPSA-N 1 1 199.338 2.124 10 0 AEAEMO Cc1ccnc(C[N@@H+]2C[C@@H](C)[C@@H]2C)c1 645215800 371951927 /nfs/dbraw/zinc/95/19/27/371951927.db2.gz KCDBBXKWNCJQNK-MNOVXSKESA-N 1 1 190.290 2.230 10 0 AEAEMO Cc1ccnc(C[N@@H+]2C[C@@H](C)[C@H]2C)c1 645215799 371951953 /nfs/dbraw/zinc/95/19/53/371951953.db2.gz KCDBBXKWNCJQNK-GHMZBOCLSA-N 1 1 190.290 2.230 10 0 AEAEMO COC1(CC[N@H+]2C[C@H](C)[C@H]2C)CCC1 645216240 371951960 /nfs/dbraw/zinc/95/19/60/371951960.db2.gz KXYWKYWVBJYYMI-WDEREUQCSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@H]1[C@H](C)C[N@@H+]1[C@H](C)c1cccnc1 645216195 371951968 /nfs/dbraw/zinc/95/19/68/371951968.db2.gz UOIBHXMOODLDBK-OUAUKWLOSA-N 1 1 190.290 2.483 10 0 AEAEMO C[C@@H]1C[N@H+]([C@H](C)c2cccnc2)[C@@H]1C 645216192 371952062 /nfs/dbraw/zinc/95/20/62/371952062.db2.gz UOIBHXMOODLDBK-GMTAPVOTSA-N 1 1 190.290 2.483 10 0 AEAEMO C[C@@H](c1ccccn1)[N@H+]1C[C@@H](C)[C@@H]1C 645215844 371952092 /nfs/dbraw/zinc/95/20/92/371952092.db2.gz WINNBXFLNJSIMF-VWYCJHECSA-N 1 1 190.290 2.483 10 0 AEAEMO C[C@@H]1C[N@H+]([C@H](C)c2ccccn2)[C@@H]1C 645215841 371952141 /nfs/dbraw/zinc/95/21/41/371952141.db2.gz WINNBXFLNJSIMF-GMTAPVOTSA-N 1 1 190.290 2.483 10 0 AEAEMO C[C@@H]1C[N@@H+](C[C@H]2CCC(C)(C)O2)[C@@H]1C 645215806 371952159 /nfs/dbraw/zinc/95/21/59/371952159.db2.gz LGJGOZOKAJMKRM-GMTAPVOTSA-N 1 1 197.322 2.284 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1C[C@@H]1CCO[C@H](C)C1 645215823 371952173 /nfs/dbraw/zinc/95/21/73/371952173.db2.gz SKICZMCMJRFPOH-WISYIIOYSA-N 1 1 197.322 2.142 10 0 AEAEMO C[C@@H](c1cccnc1)[N@H+]1C[C@@H](C)[C@H]1C 645216194 371952234 /nfs/dbraw/zinc/95/22/34/371952234.db2.gz UOIBHXMOODLDBK-MXWKQRLJSA-N 1 1 190.290 2.483 10 0 AEAEMO COC1(CC[N@H+]2C[C@@H](C)[C@H]2C)CCC1 645216237 371952273 /nfs/dbraw/zinc/95/22/73/371952273.db2.gz KXYWKYWVBJYYMI-GHMZBOCLSA-N 1 1 197.322 2.286 10 0 AEAEMO COC1(CC[N@H+]2C[C@H](C)[C@@H]2C)CCC1 645216239 371952329 /nfs/dbraw/zinc/95/23/29/371952329.db2.gz KXYWKYWVBJYYMI-QWRGUYRKSA-N 1 1 197.322 2.286 10 0 AEAEMO Cc1ccnc(C[N@@H+]2C[C@H](C)[C@H]2C)c1 645215802 371952474 /nfs/dbraw/zinc/95/24/74/371952474.db2.gz KCDBBXKWNCJQNK-WDEREUQCSA-N 1 1 190.290 2.230 10 0 AEAEMO C[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)[C@@H]1C 645216739 371952543 /nfs/dbraw/zinc/95/25/43/371952543.db2.gz XVLNXRIZDQFBRO-IJLUTSLNSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](C)[C@H]2C)CCO1 645215820 371952559 /nfs/dbraw/zinc/95/25/59/371952559.db2.gz SKICZMCMJRFPOH-DDHJBXDOSA-N 1 1 197.322 2.142 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1C[C@H]1CCC(C)(C)O1 645215808 371952605 /nfs/dbraw/zinc/95/26/05/371952605.db2.gz LGJGOZOKAJMKRM-OUAUKWLOSA-N 1 1 197.322 2.284 10 0 AEAEMO Cc1ccnc(C[N@@H+]2C[C@H](C)[C@@H]2C)c1 645215801 371952683 /nfs/dbraw/zinc/95/26/83/371952683.db2.gz KCDBBXKWNCJQNK-QWRGUYRKSA-N 1 1 190.290 2.230 10 0 AEAEMO C[C@@H](c1ccccn1)[N@H+]1C[C@@H](C)[C@H]1C 645215842 371952641 /nfs/dbraw/zinc/95/26/41/371952641.db2.gz WINNBXFLNJSIMF-MXWKQRLJSA-N 1 1 190.290 2.483 10 0 AEAEMO C[C@H]1[C@H](C)C[N@@H+]1[C@H](C)c1ccccn1 645215843 371952744 /nfs/dbraw/zinc/95/27/44/371952744.db2.gz WINNBXFLNJSIMF-OUAUKWLOSA-N 1 1 190.290 2.483 10 0 AEAEMO C[C@H]1C[N@@H+](C[C@@H]2CCO[C@H](C)C2)[C@H]1C 645215822 371952814 /nfs/dbraw/zinc/95/28/14/371952814.db2.gz SKICZMCMJRFPOH-WHOHXGKFSA-N 1 1 197.322 2.142 10 0 AEAEMO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H]2C)nc1 645218696 371953754 /nfs/dbraw/zinc/95/37/54/371953754.db2.gz GMIDEQXQULWGEF-GHMZBOCLSA-N 1 1 190.290 2.230 10 0 AEAEMO Cc1cnc([C@H](C)[N@@H+]2C[C@@H](C)[C@H]2C)o1 645219271 371953874 /nfs/dbraw/zinc/95/38/74/371953874.db2.gz FVUTWUCHCOQGIW-QNSHHTMESA-N 1 1 194.278 2.384 10 0 AEAEMO Cc1cnc([C@H](C)[N@H+]2C[C@@H](C)[C@H]2C)o1 645219271 371953878 /nfs/dbraw/zinc/95/38/78/371953878.db2.gz FVUTWUCHCOQGIW-QNSHHTMESA-N 1 1 194.278 2.384 10 0 AEAEMO Cc1ncccc1C[N@@H+]1C[C@H](C)[C@@H]1C 645218152 371953909 /nfs/dbraw/zinc/95/39/09/371953909.db2.gz NBXCTYJREXVQHH-ONGXEEELSA-N 1 1 190.290 2.230 10 0 AEAEMO CCOC1CC(C[N@H+]2C[C@H](C)[C@H]2C)C1 645219004 371954328 /nfs/dbraw/zinc/95/43/28/371954328.db2.gz HCSXCSQHWZNNLU-DMOGRIERSA-N 1 1 197.322 2.142 10 0 AEAEMO CCOC1CC(C[N@H+]2C[C@@H](C)[C@@H]2C)C1 645219006 371954376 /nfs/dbraw/zinc/95/43/76/371954376.db2.gz HCSXCSQHWZNNLU-QKEWWQLBSA-N 1 1 197.322 2.142 10 0 AEAEMO CCOC1CC(C[N@H+]2C[C@@H](C)[C@H]2C)C1 645219007 371954424 /nfs/dbraw/zinc/95/44/24/371954424.db2.gz HCSXCSQHWZNNLU-QYNFOATHSA-N 1 1 197.322 2.142 10 0 AEAEMO Cc1cnc([C@H](C)[N@@H+]2C[C@@H](C)[C@@H]2C)o1 645219270 371954436 /nfs/dbraw/zinc/95/44/36/371954436.db2.gz FVUTWUCHCOQGIW-JEZHCXPESA-N 1 1 194.278 2.384 10 0 AEAEMO Cc1cnc([C@H](C)[N@H+]2C[C@@H](C)[C@@H]2C)o1 645219270 371954439 /nfs/dbraw/zinc/95/44/39/371954439.db2.gz FVUTWUCHCOQGIW-JEZHCXPESA-N 1 1 194.278 2.384 10 0 AEAEMO Cc1ncccc1C[N@@H+]1C[C@@H](C)[C@@H]1C 645218150 371954442 /nfs/dbraw/zinc/95/44/42/371954442.db2.gz NBXCTYJREXVQHH-KOLCDFICSA-N 1 1 190.290 2.230 10 0 AEAEMO CCOC1CC(C[N@H+]2C[C@H](C)[C@@H]2C)C1 645219005 371954482 /nfs/dbraw/zinc/95/44/82/371954482.db2.gz HCSXCSQHWZNNLU-JYBOHDQNSA-N 1 1 197.322 2.142 10 0 AEAEMO Cc1cnc([C@H](C)[N@@H+]2C[C@H](C)[C@@H]2C)o1 645219269 371954492 /nfs/dbraw/zinc/95/44/92/371954492.db2.gz FVUTWUCHCOQGIW-HGNGGELXSA-N 1 1 194.278 2.384 10 0 AEAEMO Cc1cnc([C@H](C)[N@H+]2C[C@H](C)[C@@H]2C)o1 645219269 371954495 /nfs/dbraw/zinc/95/44/95/371954495.db2.gz FVUTWUCHCOQGIW-HGNGGELXSA-N 1 1 194.278 2.384 10 0 AEAEMO Cc1ncccc1C[N@@H+]1C[C@H](C)[C@H]1C 645218149 371954506 /nfs/dbraw/zinc/95/45/06/371954506.db2.gz NBXCTYJREXVQHH-GXSJLCMTSA-N 1 1 190.290 2.230 10 0 AEAEMO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]2C)nc1 645218699 371954516 /nfs/dbraw/zinc/95/45/16/371954516.db2.gz GMIDEQXQULWGEF-MNOVXSKESA-N 1 1 190.290 2.230 10 0 AEAEMO Cc1ccc(C[N@@H+]2C[C@H](C)[C@H]2C)nc1 645218702 371954522 /nfs/dbraw/zinc/95/45/22/371954522.db2.gz GMIDEQXQULWGEF-WDEREUQCSA-N 1 1 190.290 2.230 10 0 AEAEMO Cc1cnc([C@H](C)[N@@H+]2C[C@H](C)[C@H]2C)o1 645219272 371954533 /nfs/dbraw/zinc/95/45/33/371954533.db2.gz FVUTWUCHCOQGIW-SFGNSQDASA-N 1 1 194.278 2.384 10 0 AEAEMO Cc1cnc([C@H](C)[N@H+]2C[C@H](C)[C@H]2C)o1 645219272 371954535 /nfs/dbraw/zinc/95/45/35/371954535.db2.gz FVUTWUCHCOQGIW-SFGNSQDASA-N 1 1 194.278 2.384 10 0 AEAEMO Cc1ncccc1C[N@@H+]1C[C@@H](C)[C@H]1C 645218151 371954550 /nfs/dbraw/zinc/95/45/50/371954550.db2.gz NBXCTYJREXVQHH-MWLCHTKSSA-N 1 1 190.290 2.230 10 0 AEAEMO Cc1ccc(C[N@@H+]2C[C@H](C)[C@@H]2C)nc1 645218700 371954569 /nfs/dbraw/zinc/95/45/69/371954569.db2.gz GMIDEQXQULWGEF-QWRGUYRKSA-N 1 1 190.290 2.230 10 0 AEAEMO CCCCC[N@H+]1C[C@H](C)N(C)[C@H](C)C1 645229347 371956022 /nfs/dbraw/zinc/95/60/22/371956022.db2.gz HJMASCBFGXMBOM-TXEJJXNPSA-N 1 1 198.354 2.201 10 0 AEAEMO CCc1nocc1C[N@@H+](C)CC(C)C 645227047 371956085 /nfs/dbraw/zinc/95/60/85/371956085.db2.gz AGZATPOWTMIDRH-UHFFFAOYSA-N 1 1 196.294 2.325 10 0 AEAEMO CCC[N@H+]1CCOC[C@H]1CC1CCC1 645267490 371959887 /nfs/dbraw/zinc/95/98/87/371959887.db2.gz QCEFWVHCHLJYNX-GFCCVEGCSA-N 1 1 197.322 2.287 10 0 AEAEMO CCC[N@H+]1CCOC[C@@H]1CC1CCC1 645267491 371960266 /nfs/dbraw/zinc/96/02/66/371960266.db2.gz QCEFWVHCHLJYNX-LBPRGKRZSA-N 1 1 197.322 2.287 10 0 AEAEMO CC(C)C[N@@H+](C)CCC[C@@H]1CCOC1 645782556 371964753 /nfs/dbraw/zinc/96/47/53/371964753.db2.gz YEIAKDPJAVXYHV-GFCCVEGCSA-N 1 1 199.338 2.391 10 0 AEAEMO C[C@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 645789431 371965004 /nfs/dbraw/zinc/96/50/04/371965004.db2.gz ZKVMTXMXAHWICP-RYUDHWBXSA-N 1 1 197.322 2.145 10 0 AEAEMO CC[N@@H+](CCC[C@H]1CCOC1)C1CC1 645775407 371965129 /nfs/dbraw/zinc/96/51/29/371965129.db2.gz FASWNRGFQOXGSZ-NSHDSACASA-N 1 1 197.322 2.287 10 0 AEAEMO CC[C@@H]1C[N@@H+](CC2=CCCC2)CCO1 645775720 371965176 /nfs/dbraw/zinc/96/51/76/371965176.db2.gz CQWKXJJVSRLEFD-GFCCVEGCSA-N 1 1 195.306 2.208 10 0 AEAEMO C[N@@H+](CCC[C@H]1CCOC1)CC1CC1 645778736 371965231 /nfs/dbraw/zinc/96/52/31/371965231.db2.gz XXZATNUIJGDZOE-LBPRGKRZSA-N 1 1 197.322 2.145 10 0 AEAEMO CCC[N@@H+](C)CCC[C@H]1CCOC1 645786643 371965314 /nfs/dbraw/zinc/96/53/14/371965314.db2.gz IDOOXQUPSNYTFU-NSHDSACASA-N 1 1 185.311 2.145 10 0 AEAEMO C[N@@H+](CCC[C@@H]1CCOC1)CC1CC1 645778735 371965573 /nfs/dbraw/zinc/96/55/73/371965573.db2.gz XXZATNUIJGDZOE-GFCCVEGCSA-N 1 1 197.322 2.145 10 0 AEAEMO C[C@@H]1CC[N@@H+](CCC[C@@H]2CCOC2)C1 645789432 371965462 /nfs/dbraw/zinc/96/54/62/371965462.db2.gz ZKVMTXMXAHWICP-VXGBXAGGSA-N 1 1 197.322 2.145 10 0 AEAEMO CC[C@H]1C[N@@H+](CC2=CCCC2)CCO1 645775721 371965519 /nfs/dbraw/zinc/96/55/19/371965519.db2.gz CQWKXJJVSRLEFD-LBPRGKRZSA-N 1 1 195.306 2.208 10 0 AEAEMO CCC[N@@H+](C)CCc1ccncc1C 645786634 371965548 /nfs/dbraw/zinc/96/55/48/371965548.db2.gz FPNHVBYXYZICAB-UHFFFAOYSA-N 1 1 192.306 2.274 10 0 AEAEMO C[N@H+](CC1=CCCC1)C[C@@H]1CCCO1 645778481 371965587 /nfs/dbraw/zinc/96/55/87/371965587.db2.gz YLCRBHBYLSPEGH-LBPRGKRZSA-N 1 1 195.306 2.208 10 0 AEAEMO C[N@H+](CC1=CCCC1)C[C@H]1CCCO1 645778480 371965738 /nfs/dbraw/zinc/96/57/38/371965738.db2.gz YLCRBHBYLSPEGH-GFCCVEGCSA-N 1 1 195.306 2.208 10 0 AEAEMO CC(C)C[N@@H+](C)CCC[C@H]1CCOC1 645782557 371965752 /nfs/dbraw/zinc/96/57/52/371965752.db2.gz YEIAKDPJAVXYHV-LBPRGKRZSA-N 1 1 199.338 2.391 10 0 AEAEMO C[C@@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 645789429 371965838 /nfs/dbraw/zinc/96/58/38/371965838.db2.gz ZKVMTXMXAHWICP-NEPJUHHUSA-N 1 1 197.322 2.145 10 0 AEAEMO CC[N@@H+](CCC[C@@H]1CCOC1)C1CC1 645775406 371965908 /nfs/dbraw/zinc/96/59/08/371965908.db2.gz FASWNRGFQOXGSZ-LLVKDONJSA-N 1 1 197.322 2.287 10 0 AEAEMO CCC[N@@H+](C)CCC[C@@H]1CCOC1 645786642 371965960 /nfs/dbraw/zinc/96/59/60/371965960.db2.gz IDOOXQUPSNYTFU-LLVKDONJSA-N 1 1 185.311 2.145 10 0 AEAEMO COCCC[N@@H+](C)CC1=CCCC1 645781399 371965996 /nfs/dbraw/zinc/96/59/96/371965996.db2.gz CWFAURGRHSXVKO-UHFFFAOYSA-N 1 1 183.295 2.065 10 0 AEAEMO CCOCC[N@@H+](CC)CC1=CCCC1 645801003 371967465 /nfs/dbraw/zinc/96/74/65/371967465.db2.gz HATCSUMAHWMYHN-UHFFFAOYSA-N 1 1 197.322 2.455 10 0 AEAEMO C[C@@H]1CCC[N@H+]1CCC[C@H]1CCOC1 645811074 371966920 /nfs/dbraw/zinc/96/69/20/371966920.db2.gz VWRSUQMTFRKKNO-NEPJUHHUSA-N 1 1 197.322 2.287 10 0 AEAEMO C[N@H+](CC1=CCCC1)C[C@@H]1CCOC1 645811975 371966994 /nfs/dbraw/zinc/96/69/94/371966994.db2.gz BDZNCQIQMGSSOU-LBPRGKRZSA-N 1 1 195.306 2.065 10 0 AEAEMO C[N@@H+](CCC[C@@H]1CCOC1)C1CCC1 645808336 371967026 /nfs/dbraw/zinc/96/70/26/371967026.db2.gz ITGRMBRTPYBGFV-LLVKDONJSA-N 1 1 197.322 2.287 10 0 AEAEMO C[C@H]1[C@@H](C)OCC[N@H+]1CC1=CCCC1 645815943 371967046 /nfs/dbraw/zinc/96/70/46/371967046.db2.gz DKNVNGZSJVDIBP-WDEREUQCSA-N 1 1 195.306 2.206 10 0 AEAEMO CC(C)[N@H+](CC1=CCCC1)C[C@@H](C)O 645800660 371967076 /nfs/dbraw/zinc/96/70/76/371967076.db2.gz DXURQQLCGLLCGF-LLVKDONJSA-N 1 1 197.322 2.188 10 0 AEAEMO C[C@H]1CCC[N@H+]1CCC[C@@H]1CCOC1 645811075 371967148 /nfs/dbraw/zinc/96/71/48/371967148.db2.gz VWRSUQMTFRKKNO-NWDGAFQWSA-N 1 1 197.322 2.287 10 0 AEAEMO C[C@H]1OCC[N@@H+](CC2=CCCC2)[C@@H]1C 645815940 371967223 /nfs/dbraw/zinc/96/72/23/371967223.db2.gz DKNVNGZSJVDIBP-GHMZBOCLSA-N 1 1 195.306 2.206 10 0 AEAEMO C[N@@H+](CCC[C@H]1CCOC1)C1CCC1 645808337 371967351 /nfs/dbraw/zinc/96/73/51/371967351.db2.gz ITGRMBRTPYBGFV-NSHDSACASA-N 1 1 197.322 2.287 10 0 AEAEMO C[N@H+](CC1=CCCC1)C[C@H]1CCOC1 645811974 371967355 /nfs/dbraw/zinc/96/73/55/371967355.db2.gz BDZNCQIQMGSSOU-GFCCVEGCSA-N 1 1 195.306 2.065 10 0 AEAEMO CC(C)[N@H+](CC1=CCCC1)C[C@H](C)O 645800661 371967452 /nfs/dbraw/zinc/96/74/52/371967452.db2.gz DXURQQLCGLLCGF-NSHDSACASA-N 1 1 197.322 2.188 10 0 AEAEMO COC(C)(C)C[N@@H+](C)CC1=CCCC1 645814290 371967615 /nfs/dbraw/zinc/96/76/15/371967615.db2.gz DVTKTMHQIXLCSD-UHFFFAOYSA-N 1 1 197.322 2.454 10 0 AEAEMO C[C@H]1CCC[N@H+]1CCC[C@H]1CCOC1 645811076 371967717 /nfs/dbraw/zinc/96/77/17/371967717.db2.gz VWRSUQMTFRKKNO-RYUDHWBXSA-N 1 1 197.322 2.287 10 0 AEAEMO C[C@@H]1OCC[N@@H+](CC2=CCCC2)[C@@H]1C 645815941 371967786 /nfs/dbraw/zinc/96/77/86/371967786.db2.gz DKNVNGZSJVDIBP-MNOVXSKESA-N 1 1 195.306 2.206 10 0 AEAEMO C[C@@H]1CCC[N@H+]1CCC[C@@H]1CCOC1 645811077 371967872 /nfs/dbraw/zinc/96/78/72/371967872.db2.gz VWRSUQMTFRKKNO-VXGBXAGGSA-N 1 1 197.322 2.287 10 0 AEAEMO C[C@@H]1OCC[N@@H+](CC2=CCCC2)[C@H]1C 645815942 371967905 /nfs/dbraw/zinc/96/79/05/371967905.db2.gz DKNVNGZSJVDIBP-QWRGUYRKSA-N 1 1 195.306 2.206 10 0 AEAEMO C1=CC[N@@H+](CCC[C@@H]2CCOC2)CC1 645847884 371969275 /nfs/dbraw/zinc/96/92/75/371969275.db2.gz OIXQXPGVLIGXRU-GFCCVEGCSA-N 1 1 195.306 2.065 10 0 AEAEMO C1=CC[N@@H+](CCC[C@H]2CCOC2)CC1 645847885 371969350 /nfs/dbraw/zinc/96/93/50/371969350.db2.gz OIXQXPGVLIGXRU-LBPRGKRZSA-N 1 1 195.306 2.065 10 0 AEAEMO C[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)[C@@H]1C 645923151 371970372 /nfs/dbraw/zinc/97/03/72/371970372.db2.gz KAVLNIOOSJPVJO-IJLUTSLNSA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1CCC[C@H]1CCOC1 645923153 371970598 /nfs/dbraw/zinc/97/05/98/371970598.db2.gz KAVLNIOOSJPVJO-WOPDTQHZSA-N 1 1 197.322 2.143 10 0 AEAEMO CO[C@H]1C[C@@H]([N@@H+](C)CC2=CCCC2)C1 645909860 371970639 /nfs/dbraw/zinc/97/06/39/371970639.db2.gz ZPYXYHMYACJXPM-TXEJJXNPSA-N 1 1 195.306 2.206 10 0 AEAEMO C[N@@H+](CC1=CCCC1)[C@H]1CCCOC1 645909315 371970657 /nfs/dbraw/zinc/97/06/57/371970657.db2.gz FSNAPRUTLJBHGW-LBPRGKRZSA-N 1 1 195.306 2.208 10 0 AEAEMO C[C@H]1C[N@@H+](CC2=CCCC2)[C@@H]1C 645923244 371970687 /nfs/dbraw/zinc/97/06/87/371970687.db2.gz OLNLSXCGCILRBB-VHSXEESVSA-N 1 1 165.280 2.437 10 0 AEAEMO C[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)[C@@H]1C 645923152 371970707 /nfs/dbraw/zinc/97/07/07/371970707.db2.gz KAVLNIOOSJPVJO-UTUOFQBUSA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1CCC[C@@H]1CCOC1 645923150 371970901 /nfs/dbraw/zinc/97/09/01/371970901.db2.gz KAVLNIOOSJPVJO-GRYCIOLGSA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@@H]1C[N@@H+](CC2=CCCC2)[C@@H]1C 645923242 371971266 /nfs/dbraw/zinc/97/12/66/371971266.db2.gz OLNLSXCGCILRBB-NXEZZACHSA-N 1 1 165.280 2.437 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1CCC[C@H]1CCOC1 645895276 371971282 /nfs/dbraw/zinc/97/12/82/371971282.db2.gz BLVXAXVUPCRFGY-TUAOUCFPSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1CC1=CCCC1 645923245 371971296 /nfs/dbraw/zinc/97/12/96/371971296.db2.gz OLNLSXCGCILRBB-ZJUUUORDSA-N 1 1 165.280 2.437 10 0 AEAEMO CC[N@@H+](CC1=CCCC1)[C@H]1CCOC1 645920973 371971298 /nfs/dbraw/zinc/97/12/98/371971298.db2.gz SPJPSIOPJYXTMA-LBPRGKRZSA-N 1 1 195.306 2.208 10 0 AEAEMO C[N@@H+](CC1=CCCC1)[C@@H]1CCCOC1 645909314 371971314 /nfs/dbraw/zinc/97/13/14/371971314.db2.gz FSNAPRUTLJBHGW-GFCCVEGCSA-N 1 1 195.306 2.208 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1CCC[C@@H]1CCOC1 645895274 371971325 /nfs/dbraw/zinc/97/13/25/371971325.db2.gz BLVXAXVUPCRFGY-GRYCIOLGSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@H]1C[N@@H+](CC2=CCCC2)[C@H]1C 645923243 371971330 /nfs/dbraw/zinc/97/13/30/371971330.db2.gz OLNLSXCGCILRBB-UWVGGRQHSA-N 1 1 165.280 2.437 10 0 AEAEMO C1=C(C[N@H+]2C[C@@H]3C[C@H]2CS3)CCC1 645928126 371971906 /nfs/dbraw/zinc/97/19/06/371971906.db2.gz YESWIFMJVQLEMW-QWRGUYRKSA-N 1 1 195.331 2.286 10 0 AEAEMO CC(C)O[C@@H]1CC[N@@H+](CCC2CC2)C1 645944780 371973168 /nfs/dbraw/zinc/97/31/68/371973168.db2.gz BVFDDLPUSGHWMK-GFCCVEGCSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@H](C)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 645989300 371973899 /nfs/dbraw/zinc/97/38/99/371973899.db2.gz AXRUBWAZMPHWDQ-TUAOUCFPSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 645989301 371974156 /nfs/dbraw/zinc/97/41/56/371974156.db2.gz AXRUBWAZMPHWDQ-UTUOFQBUSA-N 1 1 197.322 2.143 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CCC(=O)[C@H](C)C1 49693714 375300230 /nfs/dbraw/zinc/30/02/30/375300230.db2.gz OVMSMEIMQPRSDB-MNOVXSKESA-N 1 1 197.322 2.332 10 0 AEAEMO CC[C@@H](O)C[N@H+]1CCCCC[C@@H]1C 69945404 375317871 /nfs/dbraw/zinc/31/78/71/375317871.db2.gz NFMUCWXRGSOCIV-WDEREUQCSA-N 1 1 185.311 2.022 10 0 AEAEMO Clc1cnc(C[NH2+]C2CC2)s1 83883427 375384450 /nfs/dbraw/zinc/38/44/50/375384450.db2.gz MVOXZVAEJDBJNI-UHFFFAOYSA-N 1 1 188.683 2.049 10 0 AEAEMO Cc1ccncc1[C@H]1[NH2+][C@H](C)CS1 135523504 375394724 /nfs/dbraw/zinc/39/47/24/375394724.db2.gz KVFZTGBZSLAGAB-SCZZXKLOSA-N 1 1 194.303 2.114 10 0 AEAEMO Cc1ccncc1[C@@H]1[NH2+][C@@H](C)CS1 135523525 375394750 /nfs/dbraw/zinc/39/47/50/375394750.db2.gz KVFZTGBZSLAGAB-WCBMZHEXSA-N 1 1 194.303 2.114 10 0 AEAEMO Cc1ccncc1[C@H]1[NH2+][C@@H](C)CS1 135523545 375394759 /nfs/dbraw/zinc/39/47/59/375394759.db2.gz KVFZTGBZSLAGAB-WPRPVWTQSA-N 1 1 194.303 2.114 10 0 AEAEMO Cc1ccncc1[C@@H]1[NH2+][C@H](C)CS1 135523485 375394814 /nfs/dbraw/zinc/39/48/14/375394814.db2.gz KVFZTGBZSLAGAB-PSASIEDQSA-N 1 1 194.303 2.114 10 0 AEAEMO COCC[N@@H+](C)CCC(C)(C)C 203053106 375410905 /nfs/dbraw/zinc/41/09/05/375410905.db2.gz HVIDFWZLFZMDPL-UHFFFAOYSA-N 1 1 173.300 2.001 10 0 AEAEMO COC[N@@H+](C[Si](C)(C)C)C(C)C 203016823 375410974 /nfs/dbraw/zinc/41/09/74/375410974.db2.gz RVAJBAKGZLVKPH-UHFFFAOYSA-N 1 1 189.375 2.178 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCN[C@H](C)[C@@H]1C 204113629 375412378 /nfs/dbraw/zinc/41/23/78/375412378.db2.gz DBCSFPCCJDBHPY-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)CN1CC[NH2+][C@H](C)[C@@H]1C 204113629 375412380 /nfs/dbraw/zinc/41/23/80/375412380.db2.gz DBCSFPCCJDBHPY-TUAOUCFPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1C[N@H+]2[C@H](CO1)C[C@@H]1CCC[C@@H]12 211631463 375415336 /nfs/dbraw/zinc/41/53/36/375415336.db2.gz WBSVMGHUFDRHKP-YFKTTZPYSA-N 1 1 195.306 2.038 10 0 AEAEMO CCC[C@H]([NH2+][C@H](C)[C@@H](C)N)C1CCC1 324855180 375480312 /nfs/dbraw/zinc/48/03/12/375480312.db2.gz ZDDRKIRAOTZLGL-FOGDFJRCSA-N 1 1 198.354 2.281 10 0 AEAEMO CCC[C@H]([NH2+][C@@H](C)[C@H](C)N)C1CCC1 324855182 375480743 /nfs/dbraw/zinc/48/07/43/375480743.db2.gz ZDDRKIRAOTZLGL-NHCYSSNCSA-N 1 1 198.354 2.281 10 0 AEAEMO C[C@@H]1C[N@H+](C2CCC2)CC(C)(C)O1 306291756 375442998 /nfs/dbraw/zinc/44/29/98/375442998.db2.gz UDTVEGOJHKKACL-SECBINFHSA-N 1 1 183.295 2.038 10 0 AEAEMO C[C@@H]1CC[N@@H+](Cc2nccs2)[C@@H]1C 306479239 375448047 /nfs/dbraw/zinc/44/80/47/375448047.db2.gz HUVUVWAAPRCCSZ-RKDXNWHRSA-N 1 1 196.319 2.373 10 0 AEAEMO c1coc(C[N@H+]2CCCSCC2)c1 306507830 375450939 /nfs/dbraw/zinc/45/09/39/375450939.db2.gz ZGYFIDLUXULDFT-UHFFFAOYSA-N 1 1 197.303 2.219 10 0 AEAEMO C[C@@H]1C[N@@H+](C2CCC2)C[C@@H]1C 307686600 375475655 /nfs/dbraw/zinc/47/56/55/375475655.db2.gz DEHWKUXLEFBBSA-DTORHVGOSA-N 1 1 153.269 2.127 10 0 AEAEMO CCC[C@H]([NH2+][C@H](C)[C@H](C)N)C1CCC1 324855185 375480055 /nfs/dbraw/zinc/48/00/55/375480055.db2.gz ZDDRKIRAOTZLGL-UMNHJUIQSA-N 1 1 198.354 2.281 10 0 AEAEMO CCC[C@H]([NH2+][C@@H](C)[C@@H](C)N)C1CCC1 324855183 375480878 /nfs/dbraw/zinc/48/08/78/375480878.db2.gz ZDDRKIRAOTZLGL-SCVCMEIPSA-N 1 1 198.354 2.281 10 0 AEAEMO CC1=CC[N@@H+](Cc2conc2C)CC1 334432383 375482971 /nfs/dbraw/zinc/48/29/71/375482971.db2.gz CIIQVGFPVCJFNE-UHFFFAOYSA-N 1 1 192.262 2.135 10 0 AEAEMO CC1=CC[N@@H+](Cc2ccn(C)c2)CC1 334432950 375483139 /nfs/dbraw/zinc/48/31/39/375483139.db2.gz CWDHDGWEEAGPCW-UHFFFAOYSA-N 1 1 190.290 2.177 10 0 AEAEMO Cc1cc([C@H](C)[NH2+][C@@H]2CC23CC3)no1 335250235 375486005 /nfs/dbraw/zinc/48/60/05/375486005.db2.gz UMWTUHLTORHVSD-WCBMZHEXSA-N 1 1 192.262 2.186 10 0 AEAEMO Cc1cc([C@@H](C)[NH2+][C@@H]2CC23CC3)no1 335250231 375486658 /nfs/dbraw/zinc/48/66/58/375486658.db2.gz UMWTUHLTORHVSD-PSASIEDQSA-N 1 1 192.262 2.186 10 0 AEAEMO Cc1cc([C@H](C)[NH2+][C@H]2CC23CC3)no1 335250236 375486671 /nfs/dbraw/zinc/48/66/71/375486671.db2.gz UMWTUHLTORHVSD-WPRPVWTQSA-N 1 1 192.262 2.186 10 0 AEAEMO Cc1cc([C@@H](C)[NH2+][C@H]2CC23CC3)no1 335250233 375487044 /nfs/dbraw/zinc/48/70/44/375487044.db2.gz UMWTUHLTORHVSD-SCZZXKLOSA-N 1 1 192.262 2.186 10 0 AEAEMO CC[C@@H]1CCN1c1cc(C)[nH+]c(C)n1 336350462 375492850 /nfs/dbraw/zinc/49/28/50/375492850.db2.gz IMDPNKQSYYAKSQ-SNVBAGLBSA-N 1 1 191.278 2.082 10 0 AEAEMO CC[C@H]1CCN1c1cc(C)[nH+]c(C)n1 336350457 375492918 /nfs/dbraw/zinc/49/29/18/375492918.db2.gz IMDPNKQSYYAKSQ-JTQLQIEISA-N 1 1 191.278 2.082 10 0 AEAEMO CC(C)[C@H](C)CN[C@H](C)[C@@H]1CCC[NH2+]1 400512788 375507575 /nfs/dbraw/zinc/50/75/75/375507575.db2.gz MBAISWHKUPPDIV-UTUOFQBUSA-N 1 1 198.354 2.009 10 0 AEAEMO CC(C)[C@H](C)CN[C@@H](C)[C@H]1CCC[NH2+]1 400512784 375507806 /nfs/dbraw/zinc/50/78/06/375507806.db2.gz MBAISWHKUPPDIV-GRYCIOLGSA-N 1 1 198.354 2.009 10 0 AEAEMO CC(C)[C@H](C)CN[C@@H](C)[C@@H]1CCC[NH2+]1 400512789 375507918 /nfs/dbraw/zinc/50/79/18/375507918.db2.gz MBAISWHKUPPDIV-WOPDTQHZSA-N 1 1 198.354 2.009 10 0 AEAEMO CC(C)[C@H](C)CN[C@H](C)[C@H]1CCC[NH2+]1 400512786 375508011 /nfs/dbraw/zinc/50/80/11/375508011.db2.gz MBAISWHKUPPDIV-IJLUTSLNSA-N 1 1 198.354 2.009 10 0 AEAEMO Cc1[nH+]ccn1CCC[C@@H]1CCOC1 400954632 375510550 /nfs/dbraw/zinc/51/05/50/375510550.db2.gz GUGFIDIOETYJJW-LLVKDONJSA-N 1 1 194.278 2.008 10 0 AEAEMO Cc1[nH+]ccn1CCC[C@H]1CCOC1 400954633 375510640 /nfs/dbraw/zinc/51/06/40/375510640.db2.gz GUGFIDIOETYJJW-NSHDSACASA-N 1 1 194.278 2.008 10 0 AEAEMO CC[N@@H+](CCN)CCC(C)(C)C1CC1 405702913 375536052 /nfs/dbraw/zinc/53/60/52/375536052.db2.gz BIWJRMHETLQPQJ-UHFFFAOYSA-N 1 1 198.354 2.093 10 0 AEAEMO CCN(CC[NH3+])CCC(C)(C)C1CC1 405702913 375536056 /nfs/dbraw/zinc/53/60/56/375536056.db2.gz BIWJRMHETLQPQJ-UHFFFAOYSA-N 1 1 198.354 2.093 10 0 AEAEMO CC(C)[N@H+](CC1CCCC1)C[C@H](C)O 592976793 375562619 /nfs/dbraw/zinc/56/26/19/375562619.db2.gz KLZFGJUWDPQFGT-NSHDSACASA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[N@H+](CC1CCCC1)C[C@@H](C)O 592976792 375562706 /nfs/dbraw/zinc/56/27/06/375562706.db2.gz KLZFGJUWDPQFGT-LLVKDONJSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCSC 610410713 375567457 /nfs/dbraw/zinc/56/74/57/375567457.db2.gz LGWLGCSRDLSYQO-NXEZZACHSA-N 1 1 187.352 2.470 10 0 AEAEMO CSCC[N@H+]1CC[C@@H](C2CC2)C1 611211271 375568177 /nfs/dbraw/zinc/56/81/77/375568177.db2.gz HPLFSADLTGUIBX-SNVBAGLBSA-N 1 1 185.336 2.081 10 0 AEAEMO CSCC[N@H+]1CC[C@H](C2CC2)C1 611211270 375568528 /nfs/dbraw/zinc/56/85/28/375568528.db2.gz HPLFSADLTGUIBX-JTQLQIEISA-N 1 1 185.336 2.081 10 0 AEAEMO Cc1nocc1C[N@H+](C)CC(C)C 646051197 375571639 /nfs/dbraw/zinc/57/16/39/375571639.db2.gz HRHSJCKDFFZMKC-UHFFFAOYSA-N 1 1 182.267 2.071 10 0 AEAEMO Cc1nocc1C[N@H+](C)CCC(C)C 646053129 375571670 /nfs/dbraw/zinc/57/16/70/375571670.db2.gz QHIAVBCKGYDRTN-UHFFFAOYSA-N 1 1 196.294 2.461 10 0 AEAEMO CC[N@@H+](C)Cc1cc(OC)ccc1F 646050217 375571687 /nfs/dbraw/zinc/57/16/87/375571687.db2.gz JVTPHEPKPUDIGG-UHFFFAOYSA-N 1 1 197.253 2.286 10 0 AEAEMO Cc1nocc1C[N@H+](C)[C@H](C)C(C)C 646053220 375571771 /nfs/dbraw/zinc/57/17/71/375571771.db2.gz FTMBCKIETBTPBF-SNVBAGLBSA-N 1 1 196.294 2.459 10 0 AEAEMO CC[C@H](C)[N@@H+](C)Cc1conc1C 646055251 375571864 /nfs/dbraw/zinc/57/18/64/375571864.db2.gz GNQGOXHSNREUDO-QMMMGPOBSA-N 1 1 182.267 2.213 10 0 AEAEMO CC[N@H+](Cc1conc1C)CC(C)C 646054536 375571900 /nfs/dbraw/zinc/57/19/00/375571900.db2.gz OWRAPBBTMALOBZ-UHFFFAOYSA-N 1 1 196.294 2.461 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)Cc1conc1C 646055250 375571919 /nfs/dbraw/zinc/57/19/19/375571919.db2.gz GNQGOXHSNREUDO-MRVPVSSYSA-N 1 1 182.267 2.213 10 0 AEAEMO CCCC[N@@H+](C)Cc1conc1C 646046834 375572380 /nfs/dbraw/zinc/57/23/80/375572380.db2.gz MNAYWIBQXXQOOF-UHFFFAOYSA-N 1 1 182.267 2.215 10 0 AEAEMO CCC[N@@H+](CC)Cc1conc1C 646046216 375572510 /nfs/dbraw/zinc/57/25/10/375572510.db2.gz KBSSKROQYQDTMF-UHFFFAOYSA-N 1 1 182.267 2.215 10 0 AEAEMO Cc1nocc1C[N@H+](C)[C@@H](C)C(C)C 646053219 375572641 /nfs/dbraw/zinc/57/26/41/375572641.db2.gz FTMBCKIETBTPBF-JTQLQIEISA-N 1 1 196.294 2.459 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)Cc1conc1C 646061420 375573227 /nfs/dbraw/zinc/57/32/27/375573227.db2.gz MXTWBTNKJCZEMP-SECBINFHSA-N 1 1 196.294 2.461 10 0 AEAEMO Cc1nocc1C[N@H+](C)CC(C)(C)C 646064459 375573649 /nfs/dbraw/zinc/57/36/49/375573649.db2.gz ONFOISHCGAPNEE-UHFFFAOYSA-N 1 1 196.294 2.461 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)Cc1conc1C 646061421 375573712 /nfs/dbraw/zinc/57/37/12/375573712.db2.gz MXTWBTNKJCZEMP-VIFPVBQESA-N 1 1 196.294 2.461 10 0 AEAEMO CCc1nocc1C[N@H+]1C[C@@H](C)[C@@H]1C 646252280 375587614 /nfs/dbraw/zinc/58/76/14/375587614.db2.gz DPXNGQNEORRRPM-BDAKNGLRSA-N 1 1 194.278 2.077 10 0 AEAEMO C[N@@H+](CCCCF)C(C)(C)C 646088555 375575403 /nfs/dbraw/zinc/57/54/03/375575403.db2.gz FENASDMWIXQVJX-UHFFFAOYSA-N 1 1 161.264 2.466 10 0 AEAEMO Cc1nocc1C[N@@H+](C)CCC1CC1 646103693 375576619 /nfs/dbraw/zinc/57/66/19/375576619.db2.gz VEOSATAWBXOHJM-UHFFFAOYSA-N 1 1 194.278 2.215 10 0 AEAEMO CC[N@@H+](Cc1conc1C)C1CCC1 646089624 375576801 /nfs/dbraw/zinc/57/68/01/375576801.db2.gz KTLBLUZEKVQHPW-UHFFFAOYSA-N 1 1 194.278 2.357 10 0 AEAEMO C[C@H](O)C[N@H+]1CCCC[C@H]1C1CCC1 646139962 375579892 /nfs/dbraw/zinc/57/98/92/375579892.db2.gz KGAPSMACEFCZRQ-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO OCCC[N@H+]1CCCC[C@@H]1C1CCC1 646138516 375580038 /nfs/dbraw/zinc/58/00/38/375580038.db2.gz KYEOAKOXGGVQFX-GFCCVEGCSA-N 1 1 197.322 2.023 10 0 AEAEMO C[C@@H](O)C[N@H+]1CCCC[C@H]1C1CCC1 646139963 375580201 /nfs/dbraw/zinc/58/02/01/375580201.db2.gz KGAPSMACEFCZRQ-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H](O)C[N@H+]1CCCC[C@@H]1C1CCC1 646139961 375580341 /nfs/dbraw/zinc/58/03/41/375580341.db2.gz KGAPSMACEFCZRQ-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO COCC[N@H+]1CCCC[C@H]1C1CCC1 646137918 375580385 /nfs/dbraw/zinc/58/03/85/375580385.db2.gz YBIGCMKHQSQPEB-LBPRGKRZSA-N 1 1 197.322 2.287 10 0 AEAEMO C[C@@H](O)C[N@H+]1CCCC[C@@H]1C1CCC1 646139964 375580456 /nfs/dbraw/zinc/58/04/56/375580456.db2.gz KGAPSMACEFCZRQ-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO COCC[N@H+]1CCCC[C@@H]1C1CCC1 646137915 375580639 /nfs/dbraw/zinc/58/06/39/375580639.db2.gz YBIGCMKHQSQPEB-GFCCVEGCSA-N 1 1 197.322 2.287 10 0 AEAEMO OCCC[N@H+]1CCCC[C@H]1C1CCC1 646138519 375580666 /nfs/dbraw/zinc/58/06/66/375580666.db2.gz KYEOAKOXGGVQFX-LBPRGKRZSA-N 1 1 197.322 2.023 10 0 AEAEMO CC/C=C\CC[N@H+]1C[C@@H](O)CC[C@@H]1C 646144663 375581161 /nfs/dbraw/zinc/58/11/61/375581161.db2.gz AINHACLKYCCAOD-DFPOMNKCSA-N 1 1 197.322 2.188 10 0 AEAEMO CC/C=C/CC[N@H+]1C[C@@H](O)CC[C@@H]1C 646144664 375581686 /nfs/dbraw/zinc/58/16/86/375581686.db2.gz AINHACLKYCCAOD-XMXMHJJKSA-N 1 1 197.322 2.188 10 0 AEAEMO CCc1nocc1C[N@@H+]1CC[C@H]1CC 646208123 375583027 /nfs/dbraw/zinc/58/30/27/375583027.db2.gz XQWFGGSGTUPLBA-SNVBAGLBSA-N 1 1 194.278 2.221 10 0 AEAEMO CCc1nocc1C[N@@H+]1CC[C@@H]1CC 646208122 375583180 /nfs/dbraw/zinc/58/31/80/375583180.db2.gz XQWFGGSGTUPLBA-JTQLQIEISA-N 1 1 194.278 2.221 10 0 AEAEMO COC[C@@H]1CC[N@H+]1C[C@@H]1CC=CCC1 646235233 375584174 /nfs/dbraw/zinc/58/41/74/375584174.db2.gz ABYRFFHMZNFSEZ-NEPJUHHUSA-N 1 1 195.306 2.063 10 0 AEAEMO COC[C@H]1CC[N@H+]1C[C@H]1CC=CCC1 646235234 375584450 /nfs/dbraw/zinc/58/44/50/375584450.db2.gz ABYRFFHMZNFSEZ-NWDGAFQWSA-N 1 1 195.306 2.063 10 0 AEAEMO COC[C@@H]1CC[N@H+]1C[C@H]1CC=CCC1 646235235 375584467 /nfs/dbraw/zinc/58/44/67/375584467.db2.gz ABYRFFHMZNFSEZ-RYUDHWBXSA-N 1 1 195.306 2.063 10 0 AEAEMO COC[C@@H]1CC[N@H+]1C[C@H](C)C(C)(C)C 646235573 375585096 /nfs/dbraw/zinc/58/50/96/375585096.db2.gz RLKQYABNAQBKNO-QWRGUYRKSA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@H]1CC[N@H+]1C[C@H](C)C(C)(C)C 646235574 375585120 /nfs/dbraw/zinc/58/51/20/375585120.db2.gz RLKQYABNAQBKNO-WDEREUQCSA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@H]1CC[N@H+]1C[C@@H](C)C(C)(C)C 646235571 375585226 /nfs/dbraw/zinc/58/52/26/375585226.db2.gz RLKQYABNAQBKNO-GHMZBOCLSA-N 1 1 199.338 2.389 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CC[C@H]1COC 646235316 375585426 /nfs/dbraw/zinc/58/54/26/375585426.db2.gz RPOUFKLBVABBSB-MNOVXSKESA-N 1 1 185.311 2.143 10 0 AEAEMO COC[C@H]1CC[N@H+]1C[C@@H]1CC=CCC1 646235236 375585434 /nfs/dbraw/zinc/58/54/34/375585434.db2.gz ABYRFFHMZNFSEZ-VXGBXAGGSA-N 1 1 195.306 2.063 10 0 AEAEMO CCC(CC)C[N@H+]1CC[C@@H]1COC 646235281 375585523 /nfs/dbraw/zinc/58/55/23/375585523.db2.gz HXRMFKSJRAGETH-LLVKDONJSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@@H]1COC 646235318 375585662 /nfs/dbraw/zinc/58/56/62/375585662.db2.gz RPOUFKLBVABBSB-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC(CC)C[N@H+]1CC[C@H]1COC 646235282 375585806 /nfs/dbraw/zinc/58/58/06/375585806.db2.gz HXRMFKSJRAGETH-NSHDSACASA-N 1 1 185.311 2.143 10 0 AEAEMO COC[C@@H]1CC[N@H+]1C[C@@H](C)C(C)(C)C 646235572 375585906 /nfs/dbraw/zinc/58/59/06/375585906.db2.gz RLKQYABNAQBKNO-MNOVXSKESA-N 1 1 199.338 2.389 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CC[C@@H]1COC 646235315 375585976 /nfs/dbraw/zinc/58/59/76/375585976.db2.gz RPOUFKLBVABBSB-GHMZBOCLSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@H]1COC 646235317 375586039 /nfs/dbraw/zinc/58/60/39/375586039.db2.gz RPOUFKLBVABBSB-QWRGUYRKSA-N 1 1 185.311 2.143 10 0 AEAEMO CCc1nocc1C[N@H+]1C[C@H](C)[C@@H]1C 646252286 375586719 /nfs/dbraw/zinc/58/67/19/375586719.db2.gz DPXNGQNEORRRPM-IUCAKERBSA-N 1 1 194.278 2.077 10 0 AEAEMO CCc1nocc1C[N@H+]1C[C@@H](C)[C@H]1C 646252287 375586754 /nfs/dbraw/zinc/58/67/54/375586754.db2.gz DPXNGQNEORRRPM-RKDXNWHRSA-N 1 1 194.278 2.077 10 0 AEAEMO Cc1ccc(C[N@@H+]2C[C@H](C)[C@@H]2C)cn1 646252607 375586941 /nfs/dbraw/zinc/58/69/41/375586941.db2.gz FVALPMYUBGLSLT-ONGXEEELSA-N 1 1 190.290 2.230 10 0 AEAEMO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H]2C)cn1 646252606 375587011 /nfs/dbraw/zinc/58/70/11/375587011.db2.gz FVALPMYUBGLSLT-MWLCHTKSSA-N 1 1 190.290 2.230 10 0 AEAEMO CCc1nocc1C[N@H+]1C[C@H](C)[C@H]1C 646252285 375587230 /nfs/dbraw/zinc/58/72/30/375587230.db2.gz DPXNGQNEORRRPM-DTWKUNHWSA-N 1 1 194.278 2.077 10 0 AEAEMO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]2C)cn1 646252605 375587533 /nfs/dbraw/zinc/58/75/33/375587533.db2.gz FVALPMYUBGLSLT-KOLCDFICSA-N 1 1 190.290 2.230 10 0 AEAEMO Cc1ccc(C[N@@H+]2C[C@H](C)[C@H]2C)cn1 646252604 375587825 /nfs/dbraw/zinc/58/78/25/375587825.db2.gz FVALPMYUBGLSLT-GXSJLCMTSA-N 1 1 190.290 2.230 10 0 AEAEMO C[C@@H](CC(C)(C)C)c1nc(C[NH3+])no1 647159856 375626651 /nfs/dbraw/zinc/62/66/51/375626651.db2.gz DRMBDPUVEKOQOF-ZETCQYMHSA-N 1 1 197.282 2.068 10 0 AEAEMO C[C@H](CC(C)(C)C)c1nc(C[NH3+])no1 647159855 375627231 /nfs/dbraw/zinc/62/72/31/375627231.db2.gz DRMBDPUVEKOQOF-SSDOTTSWSA-N 1 1 197.282 2.068 10 0 AEAEMO CC[N@@H+](CC(C)(C)N)C1CC(C)(C)C1 647551869 375662566 /nfs/dbraw/zinc/66/25/66/375662566.db2.gz SZCXJELRKHINIP-UHFFFAOYSA-N 1 1 198.354 2.234 10 0 AEAEMO CCN(CC(C)(C)[NH3+])C1CC(C)(C)C1 647551869 375662574 /nfs/dbraw/zinc/66/25/74/375662574.db2.gz SZCXJELRKHINIP-UHFFFAOYSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H](N)C[N@H+]1CCC[C@@H]1CC(C)(C)C 647882678 375672805 /nfs/dbraw/zinc/67/28/05/375672805.db2.gz LZIOTJFRGJNJLS-GHMZBOCLSA-N 1 1 198.354 2.234 10 0 AEAEMO Cc1nc(C[N@H+](C)CC(C)C)co1 647960916 375680077 /nfs/dbraw/zinc/68/00/77/375680077.db2.gz SXCMSXJLTDODSW-UHFFFAOYSA-N 1 1 182.267 2.071 10 0 AEAEMO C[C@H](N)C[N@H+]1CCC[C@H]1CC(C)(C)C 647882680 375673570 /nfs/dbraw/zinc/67/35/70/375673570.db2.gz LZIOTJFRGJNJLS-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H](N)C[N@H+]1CCC[C@H]1CC(C)(C)C 647882679 375673678 /nfs/dbraw/zinc/67/36/78/375673678.db2.gz LZIOTJFRGJNJLS-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H](N)C[N@H+]1CCC[C@@H]1CC(C)(C)C 647882681 375673708 /nfs/dbraw/zinc/67/37/08/375673708.db2.gz LZIOTJFRGJNJLS-WDEREUQCSA-N 1 1 198.354 2.234 10 0 AEAEMO CN1CCC[C@H]1CC[N@H+](C)C(C)(C)C 647908312 375675216 /nfs/dbraw/zinc/67/52/16/375675216.db2.gz AKTAOCDUSAXSJS-NSHDSACASA-N 1 1 198.354 2.201 10 0 AEAEMO CN1CCC[C@H]1CC[N@@H+](C)C(C)(C)C 647908312 375675223 /nfs/dbraw/zinc/67/52/23/375675223.db2.gz AKTAOCDUSAXSJS-NSHDSACASA-N 1 1 198.354 2.201 10 0 AEAEMO CN1CCC[C@@H]1CC[N@H+](C)C(C)(C)C 647908311 375675506 /nfs/dbraw/zinc/67/55/06/375675506.db2.gz AKTAOCDUSAXSJS-LLVKDONJSA-N 1 1 198.354 2.201 10 0 AEAEMO CN1CCC[C@@H]1CC[N@@H+](C)C(C)(C)C 647908311 375675512 /nfs/dbraw/zinc/67/55/12/375675512.db2.gz AKTAOCDUSAXSJS-LLVKDONJSA-N 1 1 198.354 2.201 10 0 AEAEMO CCCC[N@H+](C)Cc1coc(C)n1 647955372 375678218 /nfs/dbraw/zinc/67/82/18/375678218.db2.gz UQEKJRIIQFHPPO-UHFFFAOYSA-N 1 1 182.267 2.215 10 0 AEAEMO CCCC[N@@H+](C)Cc1coc(C)n1 647955372 375678225 /nfs/dbraw/zinc/67/82/25/375678225.db2.gz UQEKJRIIQFHPPO-UHFFFAOYSA-N 1 1 182.267 2.215 10 0 AEAEMO Cc1nc(C[NH+]2CCC(C)CC2)co1 647956728 375678454 /nfs/dbraw/zinc/67/84/54/375678454.db2.gz AUVSCDIXLUNMGR-UHFFFAOYSA-N 1 1 194.278 2.215 10 0 AEAEMO Cc1nc(C[N@@H+]2CCC[C@@H](C)C2)co1 647956742 375678564 /nfs/dbraw/zinc/67/85/64/375678564.db2.gz BNRARIJZYNXFAL-SECBINFHSA-N 1 1 194.278 2.215 10 0 AEAEMO Cc1nc(C[N@@H+](C(C)C)C2CC2)co1 647961031 375679645 /nfs/dbraw/zinc/67/96/45/375679645.db2.gz YYKJFLCBWITXTA-UHFFFAOYSA-N 1 1 194.278 2.356 10 0 AEAEMO Cc1nc(C[N@H+](C(C)C)C2CC2)co1 647961031 375679651 /nfs/dbraw/zinc/67/96/51/375679651.db2.gz YYKJFLCBWITXTA-UHFFFAOYSA-N 1 1 194.278 2.356 10 0 AEAEMO Cc1nc(C[N@H+](C)C2CCCC2)co1 647958121 375679825 /nfs/dbraw/zinc/67/98/25/375679825.db2.gz AERSWYRJPXOUGH-UHFFFAOYSA-N 1 1 194.278 2.357 10 0 AEAEMO Cc1nc(C[N@@H+]2CCCC[C@@H]2C)co1 647956953 375679845 /nfs/dbraw/zinc/67/98/45/375679845.db2.gz VBLMPQPGSMJIRD-VIFPVBQESA-N 1 1 194.278 2.357 10 0 AEAEMO Cc1nc(C[N@@H+]2CCCC[C@H]2C)co1 647956952 375679949 /nfs/dbraw/zinc/67/99/49/375679949.db2.gz VBLMPQPGSMJIRD-SECBINFHSA-N 1 1 194.278 2.357 10 0 AEAEMO Cc1nc(C[N@H+](C)[C@@H](C)C(C)C)co1 647960803 375679963 /nfs/dbraw/zinc/67/99/63/375679963.db2.gz KEKJNIWBVBSGGM-VIFPVBQESA-N 1 1 196.294 2.459 10 0 AEAEMO Cc1nc(C[N@H+](C)[C@H](C)C(C)C)co1 647960802 375680114 /nfs/dbraw/zinc/68/01/14/375680114.db2.gz KEKJNIWBVBSGGM-SECBINFHSA-N 1 1 196.294 2.459 10 0 AEAEMO Cc1nc(C[N@@H+]2CCC[C@H](C)C2)co1 647956743 375680458 /nfs/dbraw/zinc/68/04/58/375680458.db2.gz BNRARIJZYNXFAL-VIFPVBQESA-N 1 1 194.278 2.215 10 0 AEAEMO CC[N@@H+](C)Cc1cc(F)cc(OC)c1 648355865 375710948 /nfs/dbraw/zinc/71/09/48/375710948.db2.gz BDHAQOYPWXNDKL-UHFFFAOYSA-N 1 1 197.253 2.286 10 0 AEAEMO CCC[N@@H+](C)Cc1ccncc1F 648356391 375711130 /nfs/dbraw/zinc/71/11/30/375711130.db2.gz AMAOECXYDXTBSA-UHFFFAOYSA-N 1 1 182.242 2.063 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@H](F)C1 648642291 375728284 /nfs/dbraw/zinc/72/82/84/375728284.db2.gz TWERPULWAYUDKH-UWVGGRQHSA-N 1 1 173.275 2.466 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C1CC1)C1COC1 648606650 375723502 /nfs/dbraw/zinc/72/35/02/375723502.db2.gz SYSOKVKAKXSHPT-JTQLQIEISA-N 1 1 197.322 2.286 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C1CC1)C1COC1 648606651 375723926 /nfs/dbraw/zinc/72/39/26/375723926.db2.gz SYSOKVKAKXSHPT-SNVBAGLBSA-N 1 1 197.322 2.286 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CC[C@@H](F)C1 648642290 375727745 /nfs/dbraw/zinc/72/77/45/375727745.db2.gz TWERPULWAYUDKH-NXEZZACHSA-N 1 1 173.275 2.466 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CC[C@@H](F)C1 648642292 375728271 /nfs/dbraw/zinc/72/82/71/375728271.db2.gz TWERPULWAYUDKH-VHSXEESVSA-N 1 1 173.275 2.466 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CC[C@H](F)C1 648642293 375728301 /nfs/dbraw/zinc/72/83/01/375728301.db2.gz TWERPULWAYUDKH-ZJUUUORDSA-N 1 1 173.275 2.466 10 0 AEAEMO c1csc(C[N@@H+]2CC[C@@H]2C2CC2)n1 648698803 375730508 /nfs/dbraw/zinc/73/05/08/375730508.db2.gz YDPPQRQYAUPEDN-SECBINFHSA-N 1 1 194.303 2.127 10 0 AEAEMO c1csc(C[N@H+]2CC[C@@H]2C2CC2)n1 648698803 375730511 /nfs/dbraw/zinc/73/05/11/375730511.db2.gz YDPPQRQYAUPEDN-SECBINFHSA-N 1 1 194.303 2.127 10 0 AEAEMO c1csc(C[N@@H+]2CC[C@H]2C2CC2)n1 648698804 375730817 /nfs/dbraw/zinc/73/08/17/375730817.db2.gz YDPPQRQYAUPEDN-VIFPVBQESA-N 1 1 194.303 2.127 10 0 AEAEMO c1csc(C[N@H+]2CC[C@H]2C2CC2)n1 648698804 375730826 /nfs/dbraw/zinc/73/08/26/375730826.db2.gz YDPPQRQYAUPEDN-VIFPVBQESA-N 1 1 194.303 2.127 10 0 AEAEMO C[N@@H+](CC(C)(C)CO)CC1(C)CCC1 648691230 375731036 /nfs/dbraw/zinc/73/10/36/375731036.db2.gz RIZHKPBEUXJJEZ-UHFFFAOYSA-N 1 1 199.338 2.127 10 0 AEAEMO COCC(C)(C)C[N@H+]1CC[C@H]1C1CC1 648699705 375731833 /nfs/dbraw/zinc/73/18/33/375731833.db2.gz GXDNYCZBXDHVGV-NSHDSACASA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]1C1CC1 648699788 375732112 /nfs/dbraw/zinc/73/21/12/375732112.db2.gz WNUMNANCSGXLOG-IEBDPFPHSA-N 1 1 165.280 2.127 10 0 AEAEMO C[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]1C1CC1 648699786 375732130 /nfs/dbraw/zinc/73/21/30/375732130.db2.gz WNUMNANCSGXLOG-DVVUODLYSA-N 1 1 165.280 2.127 10 0 AEAEMO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H]1C1CC1 648699787 375732259 /nfs/dbraw/zinc/73/22/59/375732259.db2.gz WNUMNANCSGXLOG-FBIMIBRVSA-N 1 1 165.280 2.127 10 0 AEAEMO C[C@@H]1C[C@H]1C[N@H+]1CC[C@H]1C1CC1 648699789 375732270 /nfs/dbraw/zinc/73/22/70/375732270.db2.gz WNUMNANCSGXLOG-MIMYLULJSA-N 1 1 165.280 2.127 10 0 AEAEMO COCC(C)(C)C[N@H+]1CC[C@@H]1C1CC1 648699699 375732300 /nfs/dbraw/zinc/73/23/00/375732300.db2.gz GXDNYCZBXDHVGV-LLVKDONJSA-N 1 1 197.322 2.143 10 0 AEAEMO CC1(C[N@H+]2CC[C@H]2C2CC2)CC1 648699756 375732369 /nfs/dbraw/zinc/73/23/69/375732369.db2.gz NASTUTBXTIBYNZ-JTQLQIEISA-N 1 1 165.280 2.271 10 0 AEAEMO CC1(C[N@H+]2CC[C@@H]2C2CC2)CC1 648699757 375732381 /nfs/dbraw/zinc/73/23/81/375732381.db2.gz NASTUTBXTIBYNZ-SNVBAGLBSA-N 1 1 165.280 2.271 10 0 AEAEMO COC[C@H]1CCC[N@@H+](CC(C)C)CC1 648867136 375756464 /nfs/dbraw/zinc/75/64/64/375756464.db2.gz WFOPUNZMGKWLKW-LBPRGKRZSA-N 1 1 199.338 2.391 10 0 AEAEMO COC[C@@H]1CCC[N@@H+](CC(C)C)CC1 648867135 375756575 /nfs/dbraw/zinc/75/65/75/375756575.db2.gz WFOPUNZMGKWLKW-GFCCVEGCSA-N 1 1 199.338 2.391 10 0 AEAEMO COC[C@H]1CCC[N@@H+](CC2CC2)CC1 648867124 375756624 /nfs/dbraw/zinc/75/66/24/375756624.db2.gz PUBGMKURHLAOBY-LBPRGKRZSA-N 1 1 197.322 2.145 10 0 AEAEMO COC[C@@H]1CCC[N@@H+](CC2CC2)CC1 648867123 375756879 /nfs/dbraw/zinc/75/68/79/375756879.db2.gz PUBGMKURHLAOBY-GFCCVEGCSA-N 1 1 197.322 2.145 10 0 AEAEMO CCC(C)(C)[C@H](C)[NH2+]Cc1ccn[nH]1 651224728 409323810 /nfs/dbraw/zinc/32/38/10/409323810.db2.gz TZZMASPASSGJOW-VIFPVBQESA-N 1 1 195.310 2.324 10 0 AEAEMO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccn[nH]1 651224727 409324484 /nfs/dbraw/zinc/32/44/84/409324484.db2.gz TZZMASPASSGJOW-SECBINFHSA-N 1 1 195.310 2.324 10 0 AEAEMO CC[N@@H+](C)Cc1ccc(OC)cc1F 651612027 409335636 /nfs/dbraw/zinc/33/56/36/409335636.db2.gz WYHGZVYYKGQCFU-UHFFFAOYSA-N 1 1 197.253 2.286 10 0 AEAEMO CC[N@@H+](C)Cc1cc2cnccc2o1 651611986 409335277 /nfs/dbraw/zinc/33/52/77/409335277.db2.gz VAOIMCBOWDWUGM-UHFFFAOYSA-N 1 1 190.246 2.280 10 0 AEAEMO c1nc(C[N@@H+]2CCC23CCCC3)co1 651873835 409340992 /nfs/dbraw/zinc/34/09/92/409340992.db2.gz YGCRHKPYXZFNJZ-UHFFFAOYSA-N 1 1 192.262 2.193 10 0 AEAEMO c1nc(C[N@H+]2CCC23CCCC3)co1 651873835 409340995 /nfs/dbraw/zinc/34/09/95/409340995.db2.gz YGCRHKPYXZFNJZ-UHFFFAOYSA-N 1 1 192.262 2.193 10 0 AEAEMO COC[C@@H](C)C[N@H+]1CCC12CCCC2 651873642 409341003 /nfs/dbraw/zinc/34/10/03/409341003.db2.gz PRIUZNWTXGWQHW-NSHDSACASA-N 1 1 197.322 2.287 10 0 AEAEMO COC[C@H](C)C[N@H+]1CCC12CCCC2 651873641 409341269 /nfs/dbraw/zinc/34/12/69/409341269.db2.gz PRIUZNWTXGWQHW-LLVKDONJSA-N 1 1 197.322 2.287 10 0 AEAEMO CC[N@@H+](C[C@@H]1C[C@@H]1C)[C@H]1CCCOC1 651948210 409342615 /nfs/dbraw/zinc/34/26/15/409342615.db2.gz GCHOADDZNSMUFF-SRVKXCTJSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[N@@H+](C[C@@H]1C[C@H]1C)[C@@H]1CCCOC1 651948208 409342749 /nfs/dbraw/zinc/34/27/49/409342749.db2.gz GCHOADDZNSMUFF-GRYCIOLGSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[N@@H+](C[C@@H]1C[C@@H]1C)[C@@H]1CCCOC1 651948209 409343773 /nfs/dbraw/zinc/34/37/73/409343773.db2.gz GCHOADDZNSMUFF-SDDRHHMPSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[N@@H+](C[C@@H]1C[C@H]1C)[C@H]1CCCOC1 651948211 409343831 /nfs/dbraw/zinc/34/38/31/409343831.db2.gz GCHOADDZNSMUFF-WOPDTQHZSA-N 1 1 197.322 2.143 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)[C@H](C)CCO 652048041 409347032 /nfs/dbraw/zinc/34/70/32/409347032.db2.gz DJJZXKIHEYLXLZ-WDEREUQCSA-N 1 1 187.327 2.125 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)[C@@H](C)CCO 652048040 409347484 /nfs/dbraw/zinc/34/74/84/409347484.db2.gz DJJZXKIHEYLXLZ-QWRGUYRKSA-N 1 1 187.327 2.125 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)[C@@H](C)CCO 652048039 409347590 /nfs/dbraw/zinc/34/75/90/409347590.db2.gz DJJZXKIHEYLXLZ-MNOVXSKESA-N 1 1 187.327 2.125 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)[C@H](C)CCO 652048038 409347859 /nfs/dbraw/zinc/34/78/59/409347859.db2.gz DJJZXKIHEYLXLZ-GHMZBOCLSA-N 1 1 187.327 2.125 10 0 AEAEMO CC(=O)C[N@@H+](C)Cc1ccccc1C 48014170 409370544 /nfs/dbraw/zinc/37/05/44/409370544.db2.gz GHLUZZGPZFSWRG-UHFFFAOYSA-N 1 1 191.274 2.016 10 0 AEAEMO CC(=O)C[N@H+](C)Cc1ccccc1C 48014170 409370548 /nfs/dbraw/zinc/37/05/48/409370548.db2.gz GHLUZZGPZFSWRG-UHFFFAOYSA-N 1 1 191.274 2.016 10 0 AEAEMO COCC[N@@H+](C)CCC(C)(C)C1CC1 653503326 409371875 /nfs/dbraw/zinc/37/18/75/409371875.db2.gz BGWTUTFUZCBVCG-UHFFFAOYSA-N 1 1 199.338 2.391 10 0 AEAEMO Cc1nsc(C)c1C[N@H+](C)C1CC1 653495938 409372528 /nfs/dbraw/zinc/37/25/28/409372528.db2.gz ABPGKUXOIAOISR-UHFFFAOYSA-N 1 1 196.319 2.354 10 0 AEAEMO CC[N@H+]1CCC=C(c2ccccn2)C1 653700571 409374768 /nfs/dbraw/zinc/37/47/68/409374768.db2.gz HIQXQOKLJFVJAH-UHFFFAOYSA-N 1 1 188.274 2.191 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCN(C)C(C)(C)C1 653660036 409375003 /nfs/dbraw/zinc/37/50/03/409375003.db2.gz CIEUJRTXHJPFAS-LLVKDONJSA-N 1 1 198.354 2.201 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCN(C)C(C)(C)C1 653660037 409375157 /nfs/dbraw/zinc/37/51/57/409375157.db2.gz CIEUJRTXHJPFAS-NSHDSACASA-N 1 1 198.354 2.201 10 0 AEAEMO CC[N@H+]1CC[C@H](c2cc(C)ccn2)C1 653748106 409377277 /nfs/dbraw/zinc/37/72/77/409377277.db2.gz FWVKLOZDYCCUMZ-NSHDSACASA-N 1 1 190.290 2.199 10 0 AEAEMO CC[N@H+]1CC[C@@H](c2cc(C)ccn2)C1 653748105 409378237 /nfs/dbraw/zinc/37/82/37/409378237.db2.gz FWVKLOZDYCCUMZ-LLVKDONJSA-N 1 1 190.290 2.199 10 0 AEAEMO CCC[N@@H+](CCCF)C(C)C 653798295 409379994 /nfs/dbraw/zinc/37/99/94/409379994.db2.gz HSXWTMGCMFCWDF-UHFFFAOYSA-N 1 1 161.264 2.466 10 0 AEAEMO CCC[C@H](C)C[N@H+](C)C1CCNCC1 51322786 409381557 /nfs/dbraw/zinc/38/15/57/409381557.db2.gz BXLUIKJLEDWRLL-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)C1CCNCC1 51322786 409381562 /nfs/dbraw/zinc/38/15/62/409381562.db2.gz BXLUIKJLEDWRLL-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](C)C[N@H+](C)C1CCNCC1 51322785 409381676 /nfs/dbraw/zinc/38/16/76/409381676.db2.gz BXLUIKJLEDWRLL-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)C1CCNCC1 51322785 409381681 /nfs/dbraw/zinc/38/16/81/409381681.db2.gz BXLUIKJLEDWRLL-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO OCC[N@H+]1CCC[C@@H]1CC1CCCC1 653892356 409382178 /nfs/dbraw/zinc/38/21/78/409382178.db2.gz HDKJOCVFZZLJMF-GFCCVEGCSA-N 1 1 197.322 2.023 10 0 AEAEMO OCC[N@H+]1CCC[C@H]1CC1CCCC1 653892359 409383170 /nfs/dbraw/zinc/38/31/70/409383170.db2.gz HDKJOCVFZZLJMF-LBPRGKRZSA-N 1 1 197.322 2.023 10 0 AEAEMO CC[N@H+]1C[C@@H](C)OC2(CCCCC2)C1 653908221 409385441 /nfs/dbraw/zinc/38/54/41/409385441.db2.gz HRSLTESBDVQUOF-LLVKDONJSA-N 1 1 197.322 2.430 10 0 AEAEMO CC[N@H+]1C[C@H](C)OC2(CCCCC2)C1 653908222 409385729 /nfs/dbraw/zinc/38/57/29/409385729.db2.gz HRSLTESBDVQUOF-NSHDSACASA-N 1 1 197.322 2.430 10 0 AEAEMO C[NH2+]C1CCN(CCCC(C)C)CC1 62097917 409402418 /nfs/dbraw/zinc/40/24/18/409402418.db2.gz VMSHYTSSIAPNKF-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](O)C[N@H+]1CCCC1(C)C 63072357 409404189 /nfs/dbraw/zinc/40/41/89/409404189.db2.gz GEZRLJRVDTWOLD-JTQLQIEISA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[C@@H](O)C[N@H+]1CCCC1(C)C 63072358 409404420 /nfs/dbraw/zinc/40/44/20/409404420.db2.gz GEZRLJRVDTWOLD-SNVBAGLBSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[C@H](C)C[N@H+]1[C@@H](C)CNC[C@H]1C 68914591 409406759 /nfs/dbraw/zinc/40/67/59/409406759.db2.gz LVTOVGCATWBVKU-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)CN1[C@@H](C)C[NH2+]C[C@H]1C 68914591 409406763 /nfs/dbraw/zinc/40/67/63/409406763.db2.gz LVTOVGCATWBVKU-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1[C@@H](C)CNC[C@H]1C 68914586 409407069 /nfs/dbraw/zinc/40/70/69/409407069.db2.gz LVTOVGCATWBVKU-UTUOFQBUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H](C)CN1[C@@H](C)C[NH2+]C[C@H]1C 68914586 409407074 /nfs/dbraw/zinc/40/70/74/409407074.db2.gz LVTOVGCATWBVKU-UTUOFQBUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)CN1C[C@@H](C)[NH2+][C@H](C)C1 69627687 409409847 /nfs/dbraw/zinc/40/98/47/409409847.db2.gz UTFBZVKLWZHBKN-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)C[N@H+]1C[C@H](C)N[C@H](C)C1 69627681 409409921 /nfs/dbraw/zinc/40/99/21/409409921.db2.gz UTFBZVKLWZHBKN-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)CN1C[C@H](C)[NH2+][C@H](C)C1 69627681 409409923 /nfs/dbraw/zinc/40/99/23/409409923.db2.gz UTFBZVKLWZHBKN-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1C[C@H](C)N[C@H](C)C1 69627677 409410013 /nfs/dbraw/zinc/41/00/13/409410013.db2.gz UTFBZVKLWZHBKN-UTUOFQBUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H](C)CN1C[C@H](C)[NH2+][C@H](C)C1 69627677 409410016 /nfs/dbraw/zinc/41/00/16/409410016.db2.gz UTFBZVKLWZHBKN-UTUOFQBUSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](O)C[N@H+]1CCCCC[C@@H]1C 69945511 409415970 /nfs/dbraw/zinc/41/59/70/409415970.db2.gz COFDKBPPYSOCEG-RYUDHWBXSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC[C@@H](O)C[N@H+]1CCCCC[C@@H]1C 69945512 409417374 /nfs/dbraw/zinc/41/73/74/409417374.db2.gz COFDKBPPYSOCEG-NWDGAFQWSA-N 1 1 199.338 2.412 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C[C@@H](C)O)C1CC1 656277646 409426186 /nfs/dbraw/zinc/42/61/86/409426186.db2.gz DEJZMZIALSVCGF-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C[C@@H](C)O)C1CC1 656277643 409426673 /nfs/dbraw/zinc/42/66/73/409426673.db2.gz DEJZMZIALSVCGF-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C[C@H](C)O)C1CC1 656277644 409426800 /nfs/dbraw/zinc/42/68/00/409426800.db2.gz DEJZMZIALSVCGF-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[N@@H+](C[C@@H](C)COC)C(C)C 656269920 409427169 /nfs/dbraw/zinc/42/71/69/409427169.db2.gz VWHWYXHREOQELM-LLVKDONJSA-N 1 1 187.327 2.389 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C[C@H](C)O)C1CC1 656277645 409427189 /nfs/dbraw/zinc/42/71/89/409427189.db2.gz DEJZMZIALSVCGF-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[N@@H+](Cc1cocn1)C(C)C 656268917 409427312 /nfs/dbraw/zinc/42/73/12/409427312.db2.gz IRIOGUFWSQVZJB-UHFFFAOYSA-N 1 1 182.267 2.295 10 0 AEAEMO CCC[N@@H+](C[C@H](C)COC)C(C)C 656269923 409427710 /nfs/dbraw/zinc/42/77/10/409427710.db2.gz VWHWYXHREOQELM-NSHDSACASA-N 1 1 187.327 2.389 10 0 AEAEMO C[C@@H](O)C[N@H+]1CCC[C@H]1CC(C)(C)C 656426175 409428927 /nfs/dbraw/zinc/42/89/27/409428927.db2.gz QWNFNBAKISKATE-MNOVXSKESA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H](O)C[N@H+]1CCC[C@@H]1CC(C)(C)C 656426173 409428991 /nfs/dbraw/zinc/42/89/91/409428991.db2.gz QWNFNBAKISKATE-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H](O)C[N@H+]1CCC[C@H]1CC(C)(C)C 656426176 409429232 /nfs/dbraw/zinc/42/92/32/409429232.db2.gz QWNFNBAKISKATE-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO C[N@@H+](CCOCC1CCCC1)C1CC1 656411489 409429376 /nfs/dbraw/zinc/42/93/76/409429376.db2.gz HKBGTTGELBCELW-UHFFFAOYSA-N 1 1 197.322 2.287 10 0 AEAEMO CCC[N@@H+](C)C1CC(OC(C)C)C1 656426191 409429646 /nfs/dbraw/zinc/42/96/46/409429646.db2.gz UELJZBDZUPULFG-UHFFFAOYSA-N 1 1 185.311 2.284 10 0 AEAEMO C[C@H](O)C[N@H+]1CCC[C@@H]1CC(C)(C)C 656426177 409429703 /nfs/dbraw/zinc/42/97/03/409429703.db2.gz QWNFNBAKISKATE-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H]1CCC[N@@H+](CC(C)=O)CC1 70613852 409429733 /nfs/dbraw/zinc/42/97/33/409429733.db2.gz CYWYQENTFOVUPF-LLVKDONJSA-N 1 1 183.295 2.088 10 0 AEAEMO CCC[N@@H+](CC(C)C)CC1(O)CCC1 656421232 409430045 /nfs/dbraw/zinc/43/00/45/409430045.db2.gz KMAVNKOPSQKMTK-UHFFFAOYSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H]1CCC[N@@H+](CC(C)=O)CC1 70613853 409431398 /nfs/dbraw/zinc/43/13/98/409431398.db2.gz CYWYQENTFOVUPF-NSHDSACASA-N 1 1 183.295 2.088 10 0 AEAEMO CCCC[N@H+]1CCCC[C@@H]1C1(O)CC1 656693666 409446435 /nfs/dbraw/zinc/44/64/35/409446435.db2.gz OOGFSVBTZVXCDX-LLVKDONJSA-N 1 1 197.322 2.166 10 0 AEAEMO CCCC[N@H+]1CCCC[C@H]1C1(O)CC1 656693668 409446649 /nfs/dbraw/zinc/44/66/49/409446649.db2.gz OOGFSVBTZVXCDX-NSHDSACASA-N 1 1 197.322 2.166 10 0 AEAEMO FC1CC2(C1)C[NH+](Cc1ccco1)C2 656693829 409447055 /nfs/dbraw/zinc/44/70/55/409447055.db2.gz FFEIGEWJINIQAN-UHFFFAOYSA-N 1 1 195.237 2.214 10 0 AEAEMO CC[C@](C)(O)C[N@H+]1C[C@@H]2CCCC[C@@H]21 656701376 409447816 /nfs/dbraw/zinc/44/78/16/409447816.db2.gz SMOZZLMHSYDQQX-SRVKXCTJSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)(C)C1C[NH+](Cc2cocn2)C1 656834199 409452132 /nfs/dbraw/zinc/45/21/32/409452132.db2.gz POZOMDWDOMWZIR-UHFFFAOYSA-N 1 1 194.278 2.153 10 0 AEAEMO CCC[C@H](C)C[NH2+]CC1(N)CCCC1 656789750 409452648 /nfs/dbraw/zinc/45/26/48/409452648.db2.gz WZYDEROTVCKJQL-NSHDSACASA-N 1 1 198.354 2.284 10 0 AEAEMO CCC[C@@H](C)C[NH2+]CC1(N)CCCC1 656789749 409453119 /nfs/dbraw/zinc/45/31/19/409453119.db2.gz WZYDEROTVCKJQL-LLVKDONJSA-N 1 1 198.354 2.284 10 0 AEAEMO Cc1[nH]c[nH+]c1Cc1ccccc1 104834467 409454613 /nfs/dbraw/zinc/45/46/13/409454613.db2.gz OFGVJIFXTCWIAZ-UHFFFAOYSA-N 1 1 172.231 2.309 10 0 AEAEMO CC[C@H](C)[NH2+][C@H]1CCN(C)C(C)(C)C1 106876326 409456669 /nfs/dbraw/zinc/45/66/69/409456669.db2.gz LLEKVYRUYVEBSJ-QWRGUYRKSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](C)[NH2+][C@@H]1CCN(C)C(C)(C)C1 106876322 409457009 /nfs/dbraw/zinc/45/70/09/409457009.db2.gz LLEKVYRUYVEBSJ-WDEREUQCSA-N 1 1 198.354 2.247 10 0 AEAEMO CCCC[NH2+][C@@H]1CCN(C)C(C)(C)C1 106876303 409457029 /nfs/dbraw/zinc/45/70/29/409457029.db2.gz FJDQSJDVHRBIEN-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)(F)C[NH2+]Cc1ccco1 107123182 409457280 /nfs/dbraw/zinc/45/72/80/409457280.db2.gz LIVYDZXMMDJIBY-UHFFFAOYSA-N 1 1 171.215 2.117 10 0 AEAEMO CC(C)C[NH2+][C@H]1CCN(C)C(C)(C)C1 106876315 409457511 /nfs/dbraw/zinc/45/75/11/409457511.db2.gz GQYKYWJXMAGLHU-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[NH2+][C@@H]1CCN(C)C(C)(C)C1 106876311 409457548 /nfs/dbraw/zinc/45/75/48/409457548.db2.gz GQYKYWJXMAGLHU-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[NH2+][C@H]1CCN(C)C(C)(C)C1 106876308 409457573 /nfs/dbraw/zinc/45/75/73/409457573.db2.gz FJDQSJDVHRBIEN-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](C)[NH2+][C@@H]1CCN(C)C(C)(C)C1 106876319 409457692 /nfs/dbraw/zinc/45/76/92/409457692.db2.gz LLEKVYRUYVEBSJ-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H](C)[NH2+][C@H]1CCN(C)C(C)(C)C1 106876325 409457879 /nfs/dbraw/zinc/45/78/79/409457879.db2.gz LLEKVYRUYVEBSJ-MNOVXSKESA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H]1CCCCC[N@H+]1CC(C)=O 108296200 409458370 /nfs/dbraw/zinc/45/83/70/409458370.db2.gz XZKQPZAOYSWWHS-LLVKDONJSA-N 1 1 183.295 2.230 10 0 AEAEMO C[N@@H+](Cc1cocn1)C1CC(C)(C)C1 657193483 409458668 /nfs/dbraw/zinc/45/86/68/409458668.db2.gz WIBCSQOQSMODJS-UHFFFAOYSA-N 1 1 194.278 2.295 10 0 AEAEMO C[N@H+](Cc1cocn1)C1CC(C)(C)C1 657193483 409458663 /nfs/dbraw/zinc/45/86/63/409458663.db2.gz WIBCSQOQSMODJS-UHFFFAOYSA-N 1 1 194.278 2.295 10 0 AEAEMO CC[C@@H]1CCCCC[N@H+]1CC[C@@H](C)O 108311626 409458831 /nfs/dbraw/zinc/45/88/31/409458831.db2.gz REHBOVMIPBENII-VXGBXAGGSA-N 1 1 199.338 2.412 10 0 AEAEMO COC[C@H](C)C[N@@H+](C)C1CC(C)(C)C1 657193450 409459336 /nfs/dbraw/zinc/45/93/36/409459336.db2.gz GNKLGDXDJHURAE-SNVBAGLBSA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@@H](C)C[N@@H+](C)C1CC(C)(C)C1 657193449 409459410 /nfs/dbraw/zinc/45/94/10/409459410.db2.gz GNKLGDXDJHURAE-JTQLQIEISA-N 1 1 199.338 2.389 10 0 AEAEMO CC[C@H]1CCCCC[N@H+]1CC[C@@H](C)O 108311628 409459416 /nfs/dbraw/zinc/45/94/16/409459416.db2.gz REHBOVMIPBENII-NEPJUHHUSA-N 1 1 199.338 2.412 10 0 AEAEMO CC[C@H]1CCCCC[N@H+]1CC(C)(C)N 108310318 409459549 /nfs/dbraw/zinc/45/95/49/409459549.db2.gz YMFJOABDQWRSRJ-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@@H]1CCCCC[N@H+]1CC(C)(C)N 108310316 409460083 /nfs/dbraw/zinc/46/00/83/409460083.db2.gz YMFJOABDQWRSRJ-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@H]1CCCCC[N@H+]1CC(C)=O 108296203 409460328 /nfs/dbraw/zinc/46/03/28/409460328.db2.gz XZKQPZAOYSWWHS-NSHDSACASA-N 1 1 183.295 2.230 10 0 AEAEMO CC(=O)C[N@H+](CCC(C)C)C1CC1 109277549 409461114 /nfs/dbraw/zinc/46/11/14/409461114.db2.gz ASCDYRNOBYXLIX-UHFFFAOYSA-N 1 1 183.295 2.086 10 0 AEAEMO CO[C@@H](Cn1cc[nH+]c1C)C1CCC1 657256063 409462120 /nfs/dbraw/zinc/46/21/20/409462120.db2.gz UPJJAUFPGMWVNO-NSHDSACASA-N 1 1 194.278 2.007 10 0 AEAEMO CCc1[nH+]ccn1[C@@H]1COC(C)(C)C1 657255691 409462258 /nfs/dbraw/zinc/46/22/58/409462258.db2.gz PJDROGATBIZRDM-VIFPVBQESA-N 1 1 194.278 2.186 10 0 AEAEMO CCc1[nH+]ccn1[C@H]1COC(C)(C)C1 657255690 409462786 /nfs/dbraw/zinc/46/27/86/409462786.db2.gz PJDROGATBIZRDM-SECBINFHSA-N 1 1 194.278 2.186 10 0 AEAEMO CO[C@H](Cn1cc[nH+]c1C)C1CCC1 657256062 409463006 /nfs/dbraw/zinc/46/30/06/409463006.db2.gz UPJJAUFPGMWVNO-LLVKDONJSA-N 1 1 194.278 2.007 10 0 AEAEMO C1CCC(C[N@H+]2C[C@@H]3C[C@H]2CS3)C1 657260730 409463775 /nfs/dbraw/zinc/46/37/75/409463775.db2.gz LESSKLNNHQMFCQ-QWRGUYRKSA-N 1 1 197.347 2.366 10 0 AEAEMO CC[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CS2 657260739 409463941 /nfs/dbraw/zinc/46/39/41/409463941.db2.gz RCHYMNWJSHNECD-UTLUCORTSA-N 1 1 185.336 2.222 10 0 AEAEMO CC[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CS2 657260738 409464485 /nfs/dbraw/zinc/46/44/85/409464485.db2.gz RCHYMNWJSHNECD-GUBZILKMSA-N 1 1 185.336 2.222 10 0 AEAEMO CCCCC[N@H+]1C[C@@H]2C[C@H]1CS2 657393386 409473415 /nfs/dbraw/zinc/47/34/15/409473415.db2.gz MDOCJFUGSBPVIS-UWVGGRQHSA-N 1 1 185.336 2.366 10 0 AEAEMO C1=C[C@H]([N@@H+]2C[C@@H]3C[C@H]2CS3)CCC1 657394474 409474304 /nfs/dbraw/zinc/47/43/04/409474304.db2.gz RIBCWVWNSPWULN-DCAQKATOSA-N 1 1 195.331 2.285 10 0 AEAEMO C1=C[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CS3)CCC1 657394475 409474597 /nfs/dbraw/zinc/47/45/97/409474597.db2.gz RIBCWVWNSPWULN-VWYCJHECSA-N 1 1 195.331 2.285 10 0 AEAEMO CC[C@@](C)([NH2+]Cc1ccn[nH]1)C1CC1 657687534 409489760 /nfs/dbraw/zinc/48/97/60/409489760.db2.gz HVRVNERTPRQJLI-LLVKDONJSA-N 1 1 193.294 2.078 10 0 AEAEMO CC[C@](C)([NH2+]Cc1ccn[nH]1)C1CC1 657687535 409489967 /nfs/dbraw/zinc/48/99/67/409489967.db2.gz HVRVNERTPRQJLI-NSHDSACASA-N 1 1 193.294 2.078 10 0 AEAEMO OCCCC[N@H+]1CC[C@@H]2CCCC[C@@H]21 132787468 409491385 /nfs/dbraw/zinc/49/13/85/409491385.db2.gz SSQSNOONOILANK-RYUDHWBXSA-N 1 1 197.322 2.023 10 0 AEAEMO CC[N@@H+](C)CCc1ccc(F)cc1 197734013 409508174 /nfs/dbraw/zinc/50/81/74/409508174.db2.gz ILGYFXYANORZAY-UHFFFAOYSA-N 1 1 181.254 2.320 10 0 AEAEMO CCC[C@@H]1CCCC[N@H+]1CC(C)=O 213502636 409511987 /nfs/dbraw/zinc/51/19/87/409511987.db2.gz CLYFZKNAGUAIMM-LLVKDONJSA-N 1 1 183.295 2.230 10 0 AEAEMO CCC[C@H]1CCCC[N@H+]1CC(C)=O 213502697 409512142 /nfs/dbraw/zinc/51/21/42/409512142.db2.gz CLYFZKNAGUAIMM-NSHDSACASA-N 1 1 183.295 2.230 10 0 AEAEMO C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@@H]1N 300839163 409535448 /nfs/dbraw/zinc/53/54/48/409535448.db2.gz JLZSFXWBKCLKQO-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@@H]1N 300839163 409535455 /nfs/dbraw/zinc/53/54/55/409535455.db2.gz JLZSFXWBKCLKQO-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1CN(CCCC(C)(C)C)C[C@@H]1[NH3+] 300839163 409535464 /nfs/dbraw/zinc/53/54/64/409535464.db2.gz JLZSFXWBKCLKQO-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1N 300839169 409535686 /nfs/dbraw/zinc/53/56/86/409535686.db2.gz JLZSFXWBKCLKQO-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1N 300839169 409535691 /nfs/dbraw/zinc/53/56/91/409535691.db2.gz JLZSFXWBKCLKQO-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CN(CCCC(C)(C)C)C[C@H]1[NH3+] 300839169 409535696 /nfs/dbraw/zinc/53/56/96/409535696.db2.gz JLZSFXWBKCLKQO-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1C[N@H+](CCCC(C)(C)C)C[C@@H]1N 300839166 409535800 /nfs/dbraw/zinc/53/58/00/409535800.db2.gz JLZSFXWBKCLKQO-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1C[N@@H+](CCCC(C)(C)C)C[C@@H]1N 300839166 409535805 /nfs/dbraw/zinc/53/58/05/409535805.db2.gz JLZSFXWBKCLKQO-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H]1CN(CCCC(C)(C)C)C[C@@H]1[NH3+] 300839166 409535810 /nfs/dbraw/zinc/53/58/10/409535810.db2.gz JLZSFXWBKCLKQO-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@@H](C)C[N@H+]1CCC[C@H]1CN 300880961 409536178 /nfs/dbraw/zinc/53/61/78/409536178.db2.gz IVZABYNQINKGEP-NEPJUHHUSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)C[C@H](C)C[N@H+]1CCC[C@H]1CN 300880963 409536366 /nfs/dbraw/zinc/53/63/66/409536366.db2.gz IVZABYNQINKGEP-RYUDHWBXSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)(C)CCC[N@H+]1CCC[C@H]1CN 300947199 409540061 /nfs/dbraw/zinc/54/00/61/409540061.db2.gz WTBMYKJUDVEHQY-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO Cc1nc(C[N@H+](C)[C@H](C)C2CC2)co1 659825573 409543308 /nfs/dbraw/zinc/54/33/08/409543308.db2.gz CIMDQSVZZVIQLF-MRVPVSSYSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1nc(C[N@H+](C)[C@@H](C)C2CC2)co1 659825574 409544500 /nfs/dbraw/zinc/54/45/00/409544500.db2.gz CIMDQSVZZVIQLF-QMMMGPOBSA-N 1 1 194.278 2.213 10 0 AEAEMO CC[NH+](CC)Cc1nc(C)oc1C 659827074 409545274 /nfs/dbraw/zinc/54/52/74/409545274.db2.gz RBYCISRMQNHHAX-UHFFFAOYSA-N 1 1 182.267 2.133 10 0 AEAEMO Cc1nc(C[NH+]2CCCCC2)c(C)o1 659832904 409547715 /nfs/dbraw/zinc/54/77/15/409547715.db2.gz CVWROOPZHTUNOT-UHFFFAOYSA-N 1 1 194.278 2.277 10 0 AEAEMO C[C@@H]1CCC[N@H+]([C@@H]2CCO[C@H](C)C2)C1 659828929 409548468 /nfs/dbraw/zinc/54/84/68/409548468.db2.gz KKDDOONODBLROB-IJLUTSLNSA-N 1 1 197.322 2.286 10 0 AEAEMO CCCC[N@H+]1CC[C@@H]1CC 306278397 409550473 /nfs/dbraw/zinc/55/04/73/409550473.db2.gz GPSDMHUUHWZZCS-VIFPVBQESA-N 1 1 141.258 2.271 10 0 AEAEMO C[N@@H+](CC1CC=CC1)C[C@@H]1CCCO1 659845043 409550970 /nfs/dbraw/zinc/55/09/70/409550970.db2.gz HCMYIBMZBNGCDJ-LBPRGKRZSA-N 1 1 195.306 2.063 10 0 AEAEMO CO[C@H](C[N@@H+](C)CC1CC1)C1CCC1 659846188 409551084 /nfs/dbraw/zinc/55/10/84/409551084.db2.gz OMSPCMLHOZCCSX-GFCCVEGCSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[N@@H+](C[C@H](OC)C1CCC1)C1CC1 659835757 409551243 /nfs/dbraw/zinc/55/12/43/409551243.db2.gz IBCWEVWKOKDAOP-LBPRGKRZSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[N@@H+](C[C@@H](OC)C1CCC1)C1CC1 659835756 409551281 /nfs/dbraw/zinc/55/12/81/409551281.db2.gz IBCWEVWKOKDAOP-GFCCVEGCSA-N 1 1 197.322 2.286 10 0 AEAEMO CCCC[N@H+]1CC[C@H]1CC 306278396 409551372 /nfs/dbraw/zinc/55/13/72/409551372.db2.gz GPSDMHUUHWZZCS-SECBINFHSA-N 1 1 141.258 2.271 10 0 AEAEMO CC[N@@H+](Cc1nc(C)oc1C)C1CC1 659837116 409551727 /nfs/dbraw/zinc/55/17/27/409551727.db2.gz YMCWBJPQTYATCV-UHFFFAOYSA-N 1 1 194.278 2.276 10 0 AEAEMO C[N@@H+](CCC1CCC1)C[C@@H]1CCCO1 659844204 409551696 /nfs/dbraw/zinc/55/16/96/409551696.db2.gz AEJKZKUHFUIXQE-LBPRGKRZSA-N 1 1 197.322 2.287 10 0 AEAEMO CC[N@H+](Cc1nc(C)oc1C)C1CC1 659837116 409551716 /nfs/dbraw/zinc/55/17/16/409551716.db2.gz YMCWBJPQTYATCV-UHFFFAOYSA-N 1 1 194.278 2.276 10 0 AEAEMO C[N@@H+](C[C@H]1C[C@@H]2C[C@@H]2C1)C1CC1 659841850 409551950 /nfs/dbraw/zinc/55/19/50/409551950.db2.gz HHRBRDXUGKMNLT-ILWJIGKKSA-N 1 1 165.280 2.127 10 0 AEAEMO C[N@@H+](CC1CC=CC1)C[C@H]1CCCO1 659845042 409552322 /nfs/dbraw/zinc/55/23/22/409552322.db2.gz HCMYIBMZBNGCDJ-GFCCVEGCSA-N 1 1 195.306 2.063 10 0 AEAEMO CC[N@H+](Cc1coc(C)n1)CC(C)C 659838871 409552525 /nfs/dbraw/zinc/55/25/25/409552525.db2.gz SGBMSLHMEPOPCF-UHFFFAOYSA-N 1 1 196.294 2.461 10 0 AEAEMO C[N@@H+](CCC1CCC1)C[C@H]1CCCO1 659844203 409552813 /nfs/dbraw/zinc/55/28/13/409552813.db2.gz AEJKZKUHFUIXQE-GFCCVEGCSA-N 1 1 197.322 2.287 10 0 AEAEMO CC[N@@H+](CCOC)CCC1CCC1 659852053 409554106 /nfs/dbraw/zinc/55/41/06/409554106.db2.gz GYNCPGOMTFULOW-UHFFFAOYSA-N 1 1 185.311 2.145 10 0 AEAEMO CCC[N@@H+](C)C[C@H]1C[C@@H]2C[C@@H]2C1 659858667 409554282 /nfs/dbraw/zinc/55/42/82/409554282.db2.gz DLOIOXQXSWGYEE-JGPRNRPPSA-N 1 1 167.296 2.374 10 0 AEAEMO Cc1nc(C[N@@H+](C)CC2CC2)c(C)o1 659846330 409554342 /nfs/dbraw/zinc/55/43/42/409554342.db2.gz PSVLDIGPCYAJOE-UHFFFAOYSA-N 1 1 194.278 2.133 10 0 AEAEMO COCC[N@@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 659848403 409554762 /nfs/dbraw/zinc/55/47/62/409554762.db2.gz DOJXJVJZFYWNLF-GRYCIOLGSA-N 1 1 197.322 2.001 10 0 AEAEMO CO[C@@H](C[N@@H+](C)CC1CC1)C1CCC1 659846190 409554740 /nfs/dbraw/zinc/55/47/40/409554740.db2.gz OMSPCMLHOZCCSX-LBPRGKRZSA-N 1 1 197.322 2.143 10 0 AEAEMO Cc1nc(C[N@H+](C)CC(C)C)c(C)o1 659857186 409554883 /nfs/dbraw/zinc/55/48/83/409554883.db2.gz LKDMHYOKSWATGE-UHFFFAOYSA-N 1 1 196.294 2.379 10 0 AEAEMO CO[C@@H](C[N@@H+](C)CC(C)C)C1CCC1 659858051 409555032 /nfs/dbraw/zinc/55/50/32/409555032.db2.gz RWZMKIQFDDQFJS-LBPRGKRZSA-N 1 1 199.338 2.389 10 0 AEAEMO CC(C)=CCC[N@H+](C)C[C@H]1CCCO1 659847062 409555148 /nfs/dbraw/zinc/55/51/48/409555148.db2.gz USIQVXDMHSYLTG-GFCCVEGCSA-N 1 1 197.322 2.454 10 0 AEAEMO Cc1nc(C[N@@H+](C)CCC(C)C)co1 659848854 409555332 /nfs/dbraw/zinc/55/53/32/409555332.db2.gz MIMMYIFDDFWPNT-UHFFFAOYSA-N 1 1 196.294 2.461 10 0 AEAEMO Cc1nc(C[N@H+](C)CCC(C)C)co1 659848854 409555337 /nfs/dbraw/zinc/55/53/37/409555337.db2.gz MIMMYIFDDFWPNT-UHFFFAOYSA-N 1 1 196.294 2.461 10 0 AEAEMO CO[C@H](C[N@@H+](C)CC(C)C)C1CCC1 659858049 409555463 /nfs/dbraw/zinc/55/54/63/409555463.db2.gz RWZMKIQFDDQFJS-GFCCVEGCSA-N 1 1 199.338 2.389 10 0 AEAEMO CCC[N@@H+](CC)Cc1coc(C)n1 659856635 409555684 /nfs/dbraw/zinc/55/56/84/409555684.db2.gz GHLZUYLKZBQNRP-UHFFFAOYSA-N 1 1 182.267 2.215 10 0 AEAEMO CC(C)=CCC[N@H+]1CCCOCC1 659860681 409555746 /nfs/dbraw/zinc/55/57/46/409555746.db2.gz BHYVLJZHSGXMJL-UHFFFAOYSA-N 1 1 183.295 2.065 10 0 AEAEMO COCCC[N@@H+](C)CCC1CCC1 659855602 409556062 /nfs/dbraw/zinc/55/60/62/409556062.db2.gz HYDRXZNAUJOSIM-UHFFFAOYSA-N 1 1 185.311 2.145 10 0 AEAEMO CCC[N@@H+](C)Cc1cc(C2CC2)no1 659858640 409556085 /nfs/dbraw/zinc/55/60/85/409556085.db2.gz CIWPHSGDTAQNFO-UHFFFAOYSA-N 1 1 194.278 2.394 10 0 AEAEMO CCC[N@@H+](C)C[C@@H](OC)C1CCC1 659860302 409556454 /nfs/dbraw/zinc/55/64/54/409556454.db2.gz XEJNOYYJKLALNN-LLVKDONJSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[N@H+](C)Cc1nc(C)oc1C 659858631 409556562 /nfs/dbraw/zinc/55/65/62/409556562.db2.gz CAUAUHAILXFWOW-UHFFFAOYSA-N 1 1 182.267 2.133 10 0 AEAEMO CCC[N@@H+](C)Cc1nc(C)oc1C 659858631 409556567 /nfs/dbraw/zinc/55/65/67/409556567.db2.gz CAUAUHAILXFWOW-UHFFFAOYSA-N 1 1 182.267 2.133 10 0 AEAEMO CCC[N@@H+](C)C[C@H](OC)C1CCC1 659860303 409557182 /nfs/dbraw/zinc/55/71/82/409557182.db2.gz XEJNOYYJKLALNN-NSHDSACASA-N 1 1 185.311 2.143 10 0 AEAEMO CC(C)=CCC[N@H+](C)C[C@@H]1CCCO1 659847067 409557375 /nfs/dbraw/zinc/55/73/75/409557375.db2.gz USIQVXDMHSYLTG-LBPRGKRZSA-N 1 1 197.322 2.454 10 0 AEAEMO CC(C)=CCC[N@H+]1CCOCC1(C)C 659857257 409557403 /nfs/dbraw/zinc/55/74/03/409557403.db2.gz IDEFAADRXJBYKN-UHFFFAOYSA-N 1 1 197.322 2.454 10 0 AEAEMO COCC[N@@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 659848406 409557492 /nfs/dbraw/zinc/55/74/92/409557492.db2.gz DOJXJVJZFYWNLF-UTUOFQBUSA-N 1 1 197.322 2.001 10 0 AEAEMO COCCC[N@@H+](C)C[C@H]1C[C@@H]2C[C@@H]2C1 659855282 409557667 /nfs/dbraw/zinc/55/76/67/409557667.db2.gz CASZEIYPRBRFPJ-ZSBIGDGJSA-N 1 1 197.322 2.001 10 0 AEAEMO C[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H](C)N)[C@H](C)C1 306320198 409558313 /nfs/dbraw/zinc/55/83/13/409558313.db2.gz IYRBOURAVFGZAF-OOCWMUITSA-N 1 1 198.354 2.136 10 0 AEAEMO C[C@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H](C)[C@@H](C)N 306320200 409558404 /nfs/dbraw/zinc/55/84/04/409558404.db2.gz IYRBOURAVFGZAF-ROHXPCBUSA-N 1 1 198.354 2.136 10 0 AEAEMO C[C@H](N)[C@@H](C)[NH2+][C@H]1CC[C@@H](C)C[C@H]1C 306320207 409558539 /nfs/dbraw/zinc/55/85/39/409558539.db2.gz IYRBOURAVFGZAF-ZIQFBCGOSA-N 1 1 198.354 2.136 10 0 AEAEMO C[C@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H](C)[C@H](C)N 306320195 409558622 /nfs/dbraw/zinc/55/86/22/409558622.db2.gz IYRBOURAVFGZAF-IIRVCBMXSA-N 1 1 198.354 2.136 10 0 AEAEMO CC[C@H]1CCC[N@H+]1Cc1coc(C)n1 659874125 409558853 /nfs/dbraw/zinc/55/88/53/409558853.db2.gz WBBWOBGQHPCLOX-NSHDSACASA-N 1 1 194.278 2.357 10 0 AEAEMO CO[C@@H](C[N@H+]1CC[C@@H](C)C1)C1CCC1 659866187 409558879 /nfs/dbraw/zinc/55/88/79/409558879.db2.gz GFBPLUNAZJJXFO-PWSUYJOCSA-N 1 1 197.322 2.143 10 0 AEAEMO CO[C@@H](C[N@H+]1CC[C@H](C)C1)C1CCC1 659866186 409559316 /nfs/dbraw/zinc/55/93/16/409559316.db2.gz GFBPLUNAZJJXFO-JQWIXIFHSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1Cc1coc(C)n1 659874120 409559410 /nfs/dbraw/zinc/55/94/10/409559410.db2.gz WBBWOBGQHPCLOX-LLVKDONJSA-N 1 1 194.278 2.357 10 0 AEAEMO CO[C@H](C[N@H+]1CC[C@H](C)C1)C1CCC1 659866185 409559562 /nfs/dbraw/zinc/55/95/62/409559562.db2.gz GFBPLUNAZJJXFO-CMPLNLGQSA-N 1 1 197.322 2.143 10 0 AEAEMO Cc1nc(C[N@@H+]2CC[C@@H](C)C2)c(C)o1 659868480 409559744 /nfs/dbraw/zinc/55/97/44/409559744.db2.gz PRSGHINTFHYCQM-MRVPVSSYSA-N 1 1 194.278 2.133 10 0 AEAEMO CC[C@@H]1CC[N@H+]1C[C@H]1CC[C@@H](C)O1 306356001 409559877 /nfs/dbraw/zinc/55/98/77/409559877.db2.gz CXXVYJKKUBMXTA-GMTAPVOTSA-N 1 1 183.295 2.038 10 0 AEAEMO Cc1nc(C[N@@H+]2CC[C@H](C)C2)c(C)o1 659868481 409560797 /nfs/dbraw/zinc/56/07/97/409560797.db2.gz PRSGHINTFHYCQM-QMMMGPOBSA-N 1 1 194.278 2.133 10 0 AEAEMO Cc1nc(C[N@H+](C)CC(C)(C)C)co1 659871952 409560905 /nfs/dbraw/zinc/56/09/05/409560905.db2.gz XZVMMLICCVRZFY-UHFFFAOYSA-N 1 1 196.294 2.461 10 0 AEAEMO Cc1nc(C[N@@H+](C)CC(C)(C)C)co1 659871952 409560896 /nfs/dbraw/zinc/56/08/96/409560896.db2.gz XZVMMLICCVRZFY-UHFFFAOYSA-N 1 1 196.294 2.461 10 0 AEAEMO CO[C@@H]1CCC[N@@H+](CCC=C(C)C)C1 659874748 409561346 /nfs/dbraw/zinc/56/13/46/409561346.db2.gz HZVOLRQRZIVIQH-GFCCVEGCSA-N 1 1 197.322 2.454 10 0 AEAEMO CO[C@H](C[N@H+]1CC[C@@H](C)C1)C1CCC1 659866188 409561585 /nfs/dbraw/zinc/56/15/85/409561585.db2.gz GFBPLUNAZJJXFO-ZYHUDNBSSA-N 1 1 197.322 2.143 10 0 AEAEMO Cc1nc(C[N@H+]2CCCC2(C)C)co1 659876189 409561669 /nfs/dbraw/zinc/56/16/69/409561669.db2.gz CJOWUOUVBGYGCH-UHFFFAOYSA-N 1 1 194.278 2.357 10 0 AEAEMO CC[C@@H]1CC[N@H+]1C[C@@H]1CC[C@H](C)O1 306356000 409561766 /nfs/dbraw/zinc/56/17/66/409561766.db2.gz CXXVYJKKUBMXTA-AXFHLTTASA-N 1 1 183.295 2.038 10 0 AEAEMO CO[C@H]1CCC[N@@H+](CCC=C(C)C)C1 659874749 409561944 /nfs/dbraw/zinc/56/19/44/409561944.db2.gz HZVOLRQRZIVIQH-LBPRGKRZSA-N 1 1 197.322 2.454 10 0 AEAEMO CC[C@@H]1CC[N@H+]1C[C@H]1CC[C@H](C)O1 306356002 409561957 /nfs/dbraw/zinc/56/19/57/409561957.db2.gz CXXVYJKKUBMXTA-HBNTYKKESA-N 1 1 183.295 2.038 10 0 AEAEMO CC[C@@H]1CC[N@H+]1C[C@@H]1CC[C@@H](C)O1 306356003 409562624 /nfs/dbraw/zinc/56/26/24/409562624.db2.gz CXXVYJKKUBMXTA-MXWKQRLJSA-N 1 1 183.295 2.038 10 0 AEAEMO CC(C)[N@H+](CCC1CCC1)C[C@@H](C)O 659907525 409565416 /nfs/dbraw/zinc/56/54/16/409565416.db2.gz HSYZLDQINWNPBR-LLVKDONJSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)=CCC[N@H+](C[C@H](C)O)C(C)C 659907534 409563167 /nfs/dbraw/zinc/56/31/67/409563167.db2.gz HVVJKPRYRAWPBX-LBPRGKRZSA-N 1 1 199.338 2.434 10 0 AEAEMO CC[N@@H+](Cc1coc(C)n1)C1CCC1 659938654 409563334 /nfs/dbraw/zinc/56/33/34/409563334.db2.gz BZMCKZBGAPIXRC-UHFFFAOYSA-N 1 1 194.278 2.357 10 0 AEAEMO CC[N@H+](Cc1coc(C)n1)CC1CC1 659920716 409563681 /nfs/dbraw/zinc/56/36/81/409563681.db2.gz MCYRPDHDQSQRKF-UHFFFAOYSA-N 1 1 194.278 2.215 10 0 AEAEMO CC(C)[N@H+](CC1CC=CC1)C[C@H](C)O 659907815 409563743 /nfs/dbraw/zinc/56/37/43/409563743.db2.gz MBYXBPZJWQPFPY-NSHDSACASA-N 1 1 197.322 2.044 10 0 AEAEMO CC(C)[N@H+](CCC1CCC1)C[C@H](C)O 659907526 409563819 /nfs/dbraw/zinc/56/38/19/409563819.db2.gz HSYZLDQINWNPBR-NSHDSACASA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[N@H+](CC1CC=CC1)C[C@@H](C)O 659907814 409563865 /nfs/dbraw/zinc/56/38/65/409563865.db2.gz MBYXBPZJWQPFPY-LLVKDONJSA-N 1 1 197.322 2.044 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)Cc1coc(C)n1 659916113 409566084 /nfs/dbraw/zinc/56/60/84/409566084.db2.gz LLCSMSUKFRSBNU-VIFPVBQESA-N 1 1 196.294 2.461 10 0 AEAEMO CCC[N@H+](Cc1coc(C)n1)C1CC1 659879763 409563933 /nfs/dbraw/zinc/56/39/33/409563933.db2.gz XATHKIDGYHVWSM-UHFFFAOYSA-N 1 1 194.278 2.357 10 0 AEAEMO CCC[N@@H+](Cc1coc(C)n1)C1CC1 659879763 409563939 /nfs/dbraw/zinc/56/39/39/409563939.db2.gz XATHKIDGYHVWSM-UHFFFAOYSA-N 1 1 194.278 2.357 10 0 AEAEMO CC[C@H]1CC[N@H+]1CC1(C)CC1 306401498 409564582 /nfs/dbraw/zinc/56/45/82/409564582.db2.gz QFGRGUQGQJWSOK-VIFPVBQESA-N 1 1 153.269 2.271 10 0 AEAEMO CC(C)=CCC[N@H+](C[C@@H](C)O)C(C)C 659907533 409564606 /nfs/dbraw/zinc/56/46/06/409564606.db2.gz HVVJKPRYRAWPBX-GFCCVEGCSA-N 1 1 199.338 2.434 10 0 AEAEMO CC[C@@H]1CC[N@H+]1CC1(C)CC1 306401497 409564702 /nfs/dbraw/zinc/56/47/02/409564702.db2.gz QFGRGUQGQJWSOK-SECBINFHSA-N 1 1 153.269 2.271 10 0 AEAEMO CC[C@@H](C)C[N@@H+](C)Cc1coc(C)n1 659916109 409565611 /nfs/dbraw/zinc/56/56/11/409565611.db2.gz LLCSMSUKFRSBNU-SECBINFHSA-N 1 1 196.294 2.461 10 0 AEAEMO C[N@@H+](CCC1CCC1)Cc1cc[nH]n1 659921122 409565948 /nfs/dbraw/zinc/56/59/48/409565948.db2.gz TXXYYSOGXJCWFA-UHFFFAOYSA-N 1 1 193.294 2.032 10 0 AEAEMO CC(C)=CCC[N@H+](C)Cc1cc[nH]n1 659919863 409566177 /nfs/dbraw/zinc/56/61/77/409566177.db2.gz LEJALHRLMXYCGL-UHFFFAOYSA-N 1 1 193.294 2.198 10 0 AEAEMO Cc1nc(C[N@H+]2C[C@H](C)C[C@@H]2C)co1 659946278 409567165 /nfs/dbraw/zinc/56/71/65/409567165.db2.gz FNCAIIAUTFVAIC-BDAKNGLRSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1nc(C[N@H+]2C[C@@H](C)C[C@@H]2C)co1 659946283 409567299 /nfs/dbraw/zinc/56/72/99/409567299.db2.gz FNCAIIAUTFVAIC-IUCAKERBSA-N 1 1 194.278 2.213 10 0 AEAEMO CO[C@H](C[N@H+]1CCC[C@H]1C)C1CCC1 659970273 409567405 /nfs/dbraw/zinc/56/74/05/409567405.db2.gz IIOMIKYYGHQNQJ-ZYHUDNBSSA-N 1 1 197.322 2.286 10 0 AEAEMO CO[C@@H](C[N@H+]1CCC[C@H]1C)C1CCC1 659970272 409567999 /nfs/dbraw/zinc/56/79/99/409567999.db2.gz IIOMIKYYGHQNQJ-PWSUYJOCSA-N 1 1 197.322 2.286 10 0 AEAEMO CC(C)=CCC[N@H+]1CC[C@@H](CCO)C1 659951799 409568343 /nfs/dbraw/zinc/56/83/43/409568343.db2.gz DYYLAMSVHSRJEY-LBPRGKRZSA-N 1 1 197.322 2.047 10 0 AEAEMO CC(C)=CCC[N@@H+](C)Cc1ccon1 659945571 409568507 /nfs/dbraw/zinc/56/85/07/409568507.db2.gz BHUKVYPEBDAMGY-UHFFFAOYSA-N 1 1 194.278 2.463 10 0 AEAEMO CC(C)=CCC[N@H+](C)Cc1ccon1 659945571 409568512 /nfs/dbraw/zinc/56/85/12/409568512.db2.gz BHUKVYPEBDAMGY-UHFFFAOYSA-N 1 1 194.278 2.463 10 0 AEAEMO Cc1nc(C[N@H+]2C[C@H](C)C[C@H]2C)co1 659946288 409568568 /nfs/dbraw/zinc/56/85/68/409568568.db2.gz FNCAIIAUTFVAIC-RKDXNWHRSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1nc(C[N@@H+](C)C2CCC2)c(C)o1 659959603 409568707 /nfs/dbraw/zinc/56/87/07/409568707.db2.gz VXQSGQGIQHHTHD-UHFFFAOYSA-N 1 1 194.278 2.276 10 0 AEAEMO Cc1nc(C[N@H+](C)C2CCC2)c(C)o1 659959603 409568715 /nfs/dbraw/zinc/56/87/15/409568715.db2.gz VXQSGQGIQHHTHD-UHFFFAOYSA-N 1 1 194.278 2.276 10 0 AEAEMO C1CC(CC[N@H+]2C[C@@H]3CC[C@H](C2)O3)C1 659969910 409568796 /nfs/dbraw/zinc/56/87/96/409568796.db2.gz KJCSXFMQDHHNFB-TXEJJXNPSA-N 1 1 195.306 2.040 10 0 AEAEMO Cc1nc(C[N@@H+]2CCC[C@@H]2C)c(C)o1 659970351 409569187 /nfs/dbraw/zinc/56/91/87/409569187.db2.gz JONNIACQIORTBK-QMMMGPOBSA-N 1 1 194.278 2.276 10 0 AEAEMO CO[C@@H](C[N@H+]1CCC[C@@H]1C)C1CCC1 659970271 409569391 /nfs/dbraw/zinc/56/93/91/409569391.db2.gz IIOMIKYYGHQNQJ-JQWIXIFHSA-N 1 1 197.322 2.286 10 0 AEAEMO CO[C@H](C[N@H+]1CCC[C@@H]1C)C1CCC1 659970270 409569759 /nfs/dbraw/zinc/56/97/59/409569759.db2.gz IIOMIKYYGHQNQJ-CMPLNLGQSA-N 1 1 197.322 2.286 10 0 AEAEMO CC(C)=CCC[N@H+]1CC[C@H](CCO)C1 659951798 409569925 /nfs/dbraw/zinc/56/99/25/409569925.db2.gz DYYLAMSVHSRJEY-GFCCVEGCSA-N 1 1 197.322 2.047 10 0 AEAEMO CO[C@H](C[N@@H+](C)C1CCC1)C1CCC1 659957317 409570217 /nfs/dbraw/zinc/57/02/17/409570217.db2.gz GWRVLAFGZSEIIG-GFCCVEGCSA-N 1 1 197.322 2.286 10 0 AEAEMO Cc1nc(C[N@H+]2C[C@@H](C)C[C@H]2C)co1 659946279 409570339 /nfs/dbraw/zinc/57/03/39/409570339.db2.gz FNCAIIAUTFVAIC-DTWKUNHWSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1nc(C[N@@H+]2CCC[C@H]2C)c(C)o1 659970350 409570578 /nfs/dbraw/zinc/57/05/78/409570578.db2.gz JONNIACQIORTBK-MRVPVSSYSA-N 1 1 194.278 2.276 10 0 AEAEMO CO[C@@H](C[N@@H+](C)C1CCC1)C1CCC1 659957318 409570623 /nfs/dbraw/zinc/57/06/23/409570623.db2.gz GWRVLAFGZSEIIG-LBPRGKRZSA-N 1 1 197.322 2.286 10 0 AEAEMO Cc1nc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)co1 659984214 409574674 /nfs/dbraw/zinc/57/46/74/409574674.db2.gz FTQSVFIAZHUNBH-BDAKNGLRSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1nc(C[N@@H+]2CC[C@@H](C)[C@H]2C)co1 659984217 409571972 /nfs/dbraw/zinc/57/19/72/409571972.db2.gz FTQSVFIAZHUNBH-RKDXNWHRSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1nc(C[N@@H+]2CC[C@H](C)[C@H]2C)co1 659984215 409572129 /nfs/dbraw/zinc/57/21/29/409572129.db2.gz FTQSVFIAZHUNBH-DTWKUNHWSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1nc(C[N@@H+]2CC[C@H](C)[C@@H]2C)co1 659984216 409572586 /nfs/dbraw/zinc/57/25/86/409572586.db2.gz FTQSVFIAZHUNBH-IUCAKERBSA-N 1 1 194.278 2.213 10 0 AEAEMO Cc1nc(C[N@H+]2C[C@@H](C)[C@@H](C)C2)co1 659971710 409573301 /nfs/dbraw/zinc/57/33/01/409573301.db2.gz PVOXDWIKKPRKDO-DTORHVGOSA-N 1 1 194.278 2.071 10 0 AEAEMO Cc1nc(C[N@H+]2CCC(C)(C)C2)co1 659977092 409573631 /nfs/dbraw/zinc/57/36/31/409573631.db2.gz UTINCBUQZORUPF-UHFFFAOYSA-N 1 1 194.278 2.215 10 0 AEAEMO CC[C@@H]1CC[N@@H+](Cc2coc(C)n2)C1 659998303 409576179 /nfs/dbraw/zinc/57/61/79/409576179.db2.gz ZFNYEJRTQGGGSN-SNVBAGLBSA-N 1 1 194.278 2.215 10 0 AEAEMO CC[C@H]1CC[N@@H+](Cc2coc(C)n2)C1 659998302 409576243 /nfs/dbraw/zinc/57/62/43/409576243.db2.gz ZFNYEJRTQGGGSN-JTQLQIEISA-N 1 1 194.278 2.215 10 0 AEAEMO Cc1nc(C[N@H+]2[C@@H](C)CC[C@H]2C)co1 660000250 409576429 /nfs/dbraw/zinc/57/64/29/409576429.db2.gz RFHLNLIEMMHGPL-DTORHVGOSA-N 1 1 194.278 2.356 10 0 AEAEMO Cc1nc(C[N@H+](C)CCC2CC2)co1 660116313 409579375 /nfs/dbraw/zinc/57/93/75/409579375.db2.gz GJNQTRKKTBAMOM-UHFFFAOYSA-N 1 1 194.278 2.215 10 0 AEAEMO Cc1nc(C[N@@H+](C)CCC2CC2)co1 660116313 409579378 /nfs/dbraw/zinc/57/93/78/409579378.db2.gz GJNQTRKKTBAMOM-UHFFFAOYSA-N 1 1 194.278 2.215 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)Cc1coc(C)n1 660064013 409579580 /nfs/dbraw/zinc/57/95/80/409579580.db2.gz RRDAQCJBFWRUJJ-MRVPVSSYSA-N 1 1 182.267 2.213 10 0 AEAEMO C[C@@H](CO)[N@@H+](C)C[C@H]1CCCC[C@H]1C 660123744 409579683 /nfs/dbraw/zinc/57/96/83/409579683.db2.gz CMABVVHTDAGGBP-GRYCIOLGSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@@H]1COCCC[N@H+]1CCC1CCC1 660111911 409580264 /nfs/dbraw/zinc/58/02/64/409580264.db2.gz IBKNGTPLYWHOQD-LLVKDONJSA-N 1 1 197.322 2.287 10 0 AEAEMO C[C@H]1COCCC[N@H+]1CCC1CCC1 660111912 409580391 /nfs/dbraw/zinc/58/03/91/409580391.db2.gz IBKNGTPLYWHOQD-NSHDSACASA-N 1 1 197.322 2.287 10 0 AEAEMO C[C@@H](CO)[N@@H+](C)C[C@@H]1CCCC[C@H]1C 660123754 409580547 /nfs/dbraw/zinc/58/05/47/409580547.db2.gz CMABVVHTDAGGBP-WOPDTQHZSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](C)[N@@H+](C)Cc1coc(C)n1 660064014 409580636 /nfs/dbraw/zinc/58/06/36/409580636.db2.gz RRDAQCJBFWRUJJ-QMMMGPOBSA-N 1 1 182.267 2.213 10 0 AEAEMO Cc1[nH+]ccn1C[C@H]1C[C@@H]2C[C@@H]2C1 660127269 409580842 /nfs/dbraw/zinc/58/08/42/409580842.db2.gz BZEKOUBDHIMPEL-JGPRNRPPSA-N 1 1 176.263 2.238 10 0 AEAEMO CC(C)=CCC[N@@H+]1CCCOC[C@@H]1C 660110836 409581092 /nfs/dbraw/zinc/58/10/92/409581092.db2.gz AJAINLJMNCSILZ-LBPRGKRZSA-N 1 1 197.322 2.454 10 0 AEAEMO CC(C)=CCC[N@@H+]1CCCOC[C@H]1C 660110828 409581871 /nfs/dbraw/zinc/58/18/71/409581871.db2.gz AJAINLJMNCSILZ-GFCCVEGCSA-N 1 1 197.322 2.454 10 0 AEAEMO C1=CCC(C[N@H+]2CCCSCC2)C1 660140341 409584061 /nfs/dbraw/zinc/58/40/61/409584061.db2.gz LGGSPNLPPYSQCP-UHFFFAOYSA-N 1 1 197.347 2.392 10 0 AEAEMO COCC1([N@@H+](C)CCC=C(C)C)CC1 660147527 409585013 /nfs/dbraw/zinc/58/50/13/409585013.db2.gz CUHMXWIXHVMXQG-UHFFFAOYSA-N 1 1 197.322 2.454 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1C[C@H](C)O[C@H](C)C1 306750642 409586712 /nfs/dbraw/zinc/58/67/12/409586712.db2.gz GTUKKKXODWOQBQ-AXFHLTTASA-N 1 1 185.311 2.140 10 0 AEAEMO CC(C)[C@@H](C)[N@H+]1C[C@H](C)O[C@H](C)C1 306750643 409588021 /nfs/dbraw/zinc/58/80/21/409588021.db2.gz GTUKKKXODWOQBQ-OUAUKWLOSA-N 1 1 185.311 2.140 10 0 AEAEMO CO[C@H](C[N@@H+]1CC=CCC1)C1CCC1 660221337 409588653 /nfs/dbraw/zinc/58/86/53/409588653.db2.gz PPSAVFFOJNEVHG-GFCCVEGCSA-N 1 1 195.306 2.063 10 0 AEAEMO Cc1nc(C[N@H+]2CC=CCC2)c(C)o1 660222269 409589080 /nfs/dbraw/zinc/58/90/80/409589080.db2.gz VSZQNNMPOCVCGM-UHFFFAOYSA-N 1 1 192.262 2.053 10 0 AEAEMO Cc1nc(C[N@@H+]2CC=CCC2)c(C)o1 660222269 409589085 /nfs/dbraw/zinc/58/90/85/409589085.db2.gz VSZQNNMPOCVCGM-UHFFFAOYSA-N 1 1 192.262 2.053 10 0 AEAEMO CCOCC[N@@H+](C)C[C@H]1C[C@@H]2C[C@@H]2C1 660169027 409589511 /nfs/dbraw/zinc/58/95/11/409589511.db2.gz IAOVOJJYBIFKNU-ZSBIGDGJSA-N 1 1 197.322 2.001 10 0 AEAEMO CO[C@@H](C[N@@H+]1CC=CCC1)C1CCC1 660221338 409590271 /nfs/dbraw/zinc/59/02/71/409590271.db2.gz PPSAVFFOJNEVHG-LBPRGKRZSA-N 1 1 195.306 2.063 10 0 AEAEMO C[C@@H]1CCCC[N@H+]([C@@H]2CCC[C@H]2O)C1 660310973 409591999 /nfs/dbraw/zinc/59/19/99/409591999.db2.gz QOUQXFDKTYAGHB-IJLUTSLNSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1CCCC[N@H+]([C@@H]2CCC[C@H]2O)C1 660310974 409592795 /nfs/dbraw/zinc/59/27/95/409592795.db2.gz QOUQXFDKTYAGHB-QJPTWQEYSA-N 1 1 197.322 2.022 10 0 AEAEMO C1=CC[N@@H+](C[C@H]2C[C@@H]3C[C@@H]3C2)CC1 660222734 409593463 /nfs/dbraw/zinc/59/34/63/409593463.db2.gz XWSGZMLEJQSFDE-ZSBIGDGJSA-N 1 1 177.291 2.294 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1C[C@H](C)C[C@@H](O)C1 306800141 409593893 /nfs/dbraw/zinc/59/38/93/409593893.db2.gz OBKVOEUWDRJDIZ-GRYCIOLGSA-N 1 1 199.338 2.124 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1C[C@@H](C)C[C@H](O)C1 306800143 409594095 /nfs/dbraw/zinc/59/40/95/409594095.db2.gz OBKVOEUWDRJDIZ-SRVKXCTJSA-N 1 1 199.338 2.124 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+]1C[C@@H](O)C[C@@H](C)C1 306800144 409595533 /nfs/dbraw/zinc/59/55/33/409595533.db2.gz OBKVOEUWDRJDIZ-WOPDTQHZSA-N 1 1 199.338 2.124 10 0 AEAEMO CC(C)=CCC[N@H+](C)CC1(CO)CC1 660374532 409596398 /nfs/dbraw/zinc/59/63/98/409596398.db2.gz IXQRVWXKSCTQRB-UHFFFAOYSA-N 1 1 197.322 2.047 10 0 AEAEMO CC(C)=CCC[N@@H+](C)CCCCO 660392724 409597417 /nfs/dbraw/zinc/59/74/17/409597417.db2.gz HYILFKJKFQSWFR-UHFFFAOYSA-N 1 1 185.311 2.047 10 0 AEAEMO C[N@@H+](CCCCO)CCCC1CCC1 660392725 409598149 /nfs/dbraw/zinc/59/81/49/409598149.db2.gz HZJDZVOCIKETIK-UHFFFAOYSA-N 1 1 199.338 2.271 10 0 AEAEMO Cc1nc(C[NH+]2[C@@H](C)C[C@@H]2C)c(C)o1 660447062 409600347 /nfs/dbraw/zinc/60/03/47/409600347.db2.gz OIHOTILIVDZKAS-YUMQZZPRSA-N 1 1 194.278 2.274 10 0 AEAEMO CC1=CCC[N@@H+](Cc2coc(C)n2)C1 660462669 409600464 /nfs/dbraw/zinc/60/04/64/409600464.db2.gz RQBNXGFDWOXPNV-UHFFFAOYSA-N 1 1 192.262 2.135 10 0 AEAEMO CC1=CCC[N@H+](Cc2coc(C)n2)C1 660462669 409600469 /nfs/dbraw/zinc/60/04/69/409600469.db2.gz RQBNXGFDWOXPNV-UHFFFAOYSA-N 1 1 192.262 2.135 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1CC1CC=CC1 660445447 409600971 /nfs/dbraw/zinc/60/09/71/409600971.db2.gz HUQIGHJOVXNPIS-AOOOYVTPSA-N 1 1 165.280 2.435 10 0 AEAEMO Cc1nc(C[NH+]2[C@H](C)C[C@H]2C)c(C)o1 660447057 409601400 /nfs/dbraw/zinc/60/14/00/409601400.db2.gz OIHOTILIVDZKAS-HTQZYQBOSA-N 1 1 194.278 2.274 10 0 AEAEMO CO[C@H](C[N@H+]1[C@@H](C)C[C@H]1C)C1CCC1 660445804 409601920 /nfs/dbraw/zinc/60/19/20/409601920.db2.gz IVMYFIFWBDUMKI-JFGNBEQYSA-N 1 1 197.322 2.284 10 0 AEAEMO Cc1nc(C[N@@H+]2[C@@H](C)C[C@H]2C)c(C)o1 660447060 409602325 /nfs/dbraw/zinc/60/23/25/409602325.db2.gz OIHOTILIVDZKAS-OCAPTIKFSA-N 1 1 194.278 2.274 10 0 AEAEMO Cc1nc(C[N@H+]2[C@@H](C)C[C@H]2C)c(C)o1 660447060 409602341 /nfs/dbraw/zinc/60/23/41/409602341.db2.gz OIHOTILIVDZKAS-OCAPTIKFSA-N 1 1 194.278 2.274 10 0 AEAEMO CO[C@@H](C[N@H+]1[C@@H](C)C[C@H]1C)C1CCC1 660445805 409602555 /nfs/dbraw/zinc/60/25/55/409602555.db2.gz IVMYFIFWBDUMKI-UMNHJUIQSA-N 1 1 197.322 2.284 10 0 AEAEMO C[C@@H]1CC[C@@H](O)C[N@H+]1CC1CCCC1 306953811 409602590 /nfs/dbraw/zinc/60/25/90/409602590.db2.gz MYZKITCTNYQFPS-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1C[N@H+]([C@H]2C=CCCC2)[C@@H]1C 306940005 409602884 /nfs/dbraw/zinc/60/28/84/409602884.db2.gz HAMMEWBEESKQLK-MXWKQRLJSA-N 1 1 165.280 2.435 10 0 AEAEMO C[C@H]1CC[C@@H](O)C[N@H+]1CC1CCCC1 306953808 409603395 /nfs/dbraw/zinc/60/33/95/409603395.db2.gz MYZKITCTNYQFPS-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1C[N@H+]([C@@H]2C=CCCC2)[C@@H]1C 306940003 409603440 /nfs/dbraw/zinc/60/34/40/409603440.db2.gz HAMMEWBEESKQLK-GMTAPVOTSA-N 1 1 165.280 2.435 10 0 AEAEMO C[C@H]1[C@H](C)C[N@@H+]1[C@H]1C=CCCC1 306940014 409603721 /nfs/dbraw/zinc/60/37/21/409603721.db2.gz HAMMEWBEESKQLK-VWYCJHECSA-N 1 1 165.280 2.435 10 0 AEAEMO CO[C@H](C)C[N@@H+](C)CCC=C(C)C 660550080 409604230 /nfs/dbraw/zinc/60/42/30/409604230.db2.gz CVQRCZUJIUAKBA-LLVKDONJSA-N 1 1 185.311 2.309 10 0 AEAEMO CO[C@H]1C[C@@H]([N@@H+](C)CCC=C(C)C)C1 660533859 409604352 /nfs/dbraw/zinc/60/43/52/409604352.db2.gz XQBAFKDUWDVVPA-TXEJJXNPSA-N 1 1 197.322 2.452 10 0 AEAEMO C[C@H]1CC[C@H](O)C[N@H+]1CC1CCCC1 306953809 409604751 /nfs/dbraw/zinc/60/47/51/409604751.db2.gz MYZKITCTNYQFPS-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1C=CCCC1 306940007 409604819 /nfs/dbraw/zinc/60/48/19/409604819.db2.gz HAMMEWBEESKQLK-OUAUKWLOSA-N 1 1 165.280 2.435 10 0 AEAEMO C[C@@H]1CC[C@H](O)C[N@H+]1CC1CCCC1 306953810 409604951 /nfs/dbraw/zinc/60/49/51/409604951.db2.gz MYZKITCTNYQFPS-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO CO[C@H]1C[C@@H]([N@@H+](C)CCC2CCC2)C1 660532451 409604954 /nfs/dbraw/zinc/60/49/54/409604954.db2.gz HZTSAEUAYVFZQM-TXEJJXNPSA-N 1 1 197.322 2.286 10 0 AEAEMO CO[C@@H](C)C[N@@H+](C)CCC=C(C)C 660550189 409605281 /nfs/dbraw/zinc/60/52/81/409605281.db2.gz CVQRCZUJIUAKBA-NSHDSACASA-N 1 1 185.311 2.309 10 0 AEAEMO CO[C@H]1C[C@@H]([N@@H+](C)CC2CC=CC2)C1 660533738 409605669 /nfs/dbraw/zinc/60/56/69/409605669.db2.gz VJXALFZKBAEJNY-TXEJJXNPSA-N 1 1 195.306 2.062 10 0 AEAEMO CC[C@@H]1CC[N@H+]1Cc1cccc(N)c1 660623070 409607327 /nfs/dbraw/zinc/60/73/27/409607327.db2.gz WUQCGYZZOHNPJA-GFCCVEGCSA-N 1 1 190.290 2.253 10 0 AEAEMO Cc1nc(C[N@H+]2C[C@H](C)[C@H]2C)c(C)o1 660638208 409607422 /nfs/dbraw/zinc/60/74/22/409607422.db2.gz ARJBGQUCYJHCJU-JGVFFNPUSA-N 1 1 194.278 2.132 10 0 AEAEMO Cc1nc(C[N@@H+]2C[C@H](C)[C@H]2C)c(C)o1 660638208 409607428 /nfs/dbraw/zinc/60/74/28/409607428.db2.gz ARJBGQUCYJHCJU-JGVFFNPUSA-N 1 1 194.278 2.132 10 0 AEAEMO CC[N@@H+](CC1CC=CC1)[C@@H]1CCOC1 660596196 409607673 /nfs/dbraw/zinc/60/76/73/409607673.db2.gz LVWIHYPWPWUIMM-GFCCVEGCSA-N 1 1 195.306 2.063 10 0 AEAEMO CC[N@@H+](CCC1CCC1)[C@H]1CCOC1 660595032 409607727 /nfs/dbraw/zinc/60/77/27/409607727.db2.gz BXVFNOILKUBNMI-LBPRGKRZSA-N 1 1 197.322 2.287 10 0 AEAEMO Cc1nc(C[N@H+]2C[C@@H](C)[C@@H]2C)c(C)o1 660638211 409608121 /nfs/dbraw/zinc/60/81/21/409608121.db2.gz ARJBGQUCYJHCJU-SFYZADRCSA-N 1 1 194.278 2.132 10 0 AEAEMO Cc1nc(C[N@@H+]2C[C@@H](C)[C@@H]2C)c(C)o1 660638211 409608130 /nfs/dbraw/zinc/60/81/30/409608130.db2.gz ARJBGQUCYJHCJU-SFYZADRCSA-N 1 1 194.278 2.132 10 0 AEAEMO C[C@H]1C[N@@H+](CC2CC=CC2)[C@H]1C 660638717 409608436 /nfs/dbraw/zinc/60/84/36/409608436.db2.gz FGEQWXACXRZMOE-UWVGGRQHSA-N 1 1 165.280 2.293 10 0 AEAEMO CC[N@@H+](CC1CC=CC1)[C@H]1CCOC1 660596197 409608640 /nfs/dbraw/zinc/60/86/40/409608640.db2.gz LVWIHYPWPWUIMM-LBPRGKRZSA-N 1 1 195.306 2.063 10 0 AEAEMO CC[C@H]1CC[N@H+]1Cc1cccc(N)c1 660623072 409608877 /nfs/dbraw/zinc/60/88/77/409608877.db2.gz WUQCGYZZOHNPJA-LBPRGKRZSA-N 1 1 190.290 2.253 10 0 AEAEMO C[C@H]1C[N@@H+](CC2CC=CC2)[C@@H]1C 660638719 409609363 /nfs/dbraw/zinc/60/93/63/409609363.db2.gz FGEQWXACXRZMOE-VHSXEESVSA-N 1 1 165.280 2.293 10 0 AEAEMO CC[N@@H+](CCC=C(C)C)[C@@H]1CCOC1 660599215 409609643 /nfs/dbraw/zinc/60/96/43/409609643.db2.gz ZDSAPYZAPUCYJR-GFCCVEGCSA-N 1 1 197.322 2.454 10 0 AEAEMO Cc1nc(C[N@H+]2C[C@H](C)[C@@H]2C)c(C)o1 660638212 409609663 /nfs/dbraw/zinc/60/96/63/409609663.db2.gz ARJBGQUCYJHCJU-YUMQZZPRSA-N 1 1 194.278 2.132 10 0 AEAEMO Cc1nc(C[N@@H+]2C[C@H](C)[C@@H]2C)c(C)o1 660638212 409609665 /nfs/dbraw/zinc/60/96/65/409609665.db2.gz ARJBGQUCYJHCJU-YUMQZZPRSA-N 1 1 194.278 2.132 10 0 AEAEMO Cc1nc(C[N@H+]2C[C@@H](C)[C@H]2C)c(C)o1 660638206 409609826 /nfs/dbraw/zinc/60/98/26/409609826.db2.gz ARJBGQUCYJHCJU-HTQZYQBOSA-N 1 1 194.278 2.132 10 0 AEAEMO Cc1nc(C[N@@H+]2C[C@@H](C)[C@H]2C)c(C)o1 660638206 409609835 /nfs/dbraw/zinc/60/98/35/409609835.db2.gz ARJBGQUCYJHCJU-HTQZYQBOSA-N 1 1 194.278 2.132 10 0 AEAEMO C[C@@H]1C[N@@H+](CC2CC=CC2)[C@@H]1C 660638716 409609974 /nfs/dbraw/zinc/60/99/74/409609974.db2.gz FGEQWXACXRZMOE-NXEZZACHSA-N 1 1 165.280 2.293 10 0 AEAEMO CC[N@@H+](CCC=C(C)C)[C@H]1CCOC1 660599216 409609990 /nfs/dbraw/zinc/60/99/90/409609990.db2.gz ZDSAPYZAPUCYJR-LBPRGKRZSA-N 1 1 197.322 2.454 10 0 AEAEMO CC[N@@H+](CCC1CCC1)[C@@H]1CCOC1 660595031 409610143 /nfs/dbraw/zinc/61/01/43/409610143.db2.gz BXVFNOILKUBNMI-GFCCVEGCSA-N 1 1 197.322 2.287 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1CC1CC=CC1 660638720 409610233 /nfs/dbraw/zinc/61/02/33/409610233.db2.gz FGEQWXACXRZMOE-ZJUUUORDSA-N 1 1 165.280 2.293 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1C[C@H]1C[C@@H]2C[C@@H]2C1 660640175 409611651 /nfs/dbraw/zinc/61/16/51/409611651.db2.gz NKNLHUUVSYGVGF-CSYMLDBXSA-N 1 1 179.307 2.373 10 0 AEAEMO CC(C)=CCC[N@@H+](C1CC1)C1COC1 660646852 409611906 /nfs/dbraw/zinc/61/19/06/409611906.db2.gz FPNYBZUTQYTATR-UHFFFAOYSA-N 1 1 195.306 2.206 10 0 AEAEMO c1coc(C[N@H+]2C[C@@H]3CCC[C@@H]32)c1 307066629 409611978 /nfs/dbraw/zinc/61/19/78/409611978.db2.gz RUKQGWQVKPCNSL-ONGXEEELSA-N 1 1 177.247 2.264 10 0 AEAEMO CO[C@H](C[N@H+]1C[C@@H](C)[C@H]1C)C1CCC1 660640995 409612172 /nfs/dbraw/zinc/61/21/72/409612172.db2.gz UNQSDAJUYDIJNV-CKYFFXLPSA-N 1 1 197.322 2.142 10 0 AEAEMO CO[C@H](C[N@H+]1C[C@H](C)[C@@H]1C)C1CCC1 660640998 409612705 /nfs/dbraw/zinc/61/27/05/409612705.db2.gz UNQSDAJUYDIJNV-JBLDHEPKSA-N 1 1 197.322 2.142 10 0 AEAEMO c1coc(C[N@H+]2C[C@H]3CCC[C@@H]32)c1 307066616 409612860 /nfs/dbraw/zinc/61/28/60/409612860.db2.gz RUKQGWQVKPCNSL-KOLCDFICSA-N 1 1 177.247 2.264 10 0 AEAEMO CO[C@H](C[N@H+]1C[C@@H](C)[C@@H]1C)C1CCC1 660641000 409613179 /nfs/dbraw/zinc/61/31/79/409613179.db2.gz UNQSDAJUYDIJNV-JFGNBEQYSA-N 1 1 197.322 2.142 10 0 AEAEMO c1coc(C[N@H+]2C[C@@H]3CCC[C@H]32)c1 307066609 409613835 /nfs/dbraw/zinc/61/38/35/409613835.db2.gz RUKQGWQVKPCNSL-GXSJLCMTSA-N 1 1 177.247 2.264 10 0 AEAEMO c1coc(C[N@H+]2C[C@H]3CCC[C@H]32)c1 307066623 409613894 /nfs/dbraw/zinc/61/38/94/409613894.db2.gz RUKQGWQVKPCNSL-MWLCHTKSSA-N 1 1 177.247 2.264 10 0 AEAEMO C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]3C[C@@H]3C2)[C@@H]1C 660640176 409613910 /nfs/dbraw/zinc/61/39/10/409613910.db2.gz NKNLHUUVSYGVGF-PZWNZHSQSA-N 1 1 179.307 2.373 10 0 AEAEMO CO[C@H](C[N@H+]1C[C@H](C)[C@H]1C)C1CCC1 660640997 409613971 /nfs/dbraw/zinc/61/39/71/409613971.db2.gz UNQSDAJUYDIJNV-HOSYDEDBSA-N 1 1 197.322 2.142 10 0 AEAEMO F[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 660692970 409616171 /nfs/dbraw/zinc/61/61/71/409616171.db2.gz VAVMWLJUBGGICJ-KXNHARMFSA-N 1 1 197.297 2.466 10 0 AEAEMO C[C@H]1C[N@H+](CC2=CCCC2)CCC1=O 307087435 409616410 /nfs/dbraw/zinc/61/64/10/409616410.db2.gz LJUPDEFFNREJSE-JTQLQIEISA-N 1 1 193.290 2.008 10 0 AEAEMO C[C@H]1C[N@@H+](CC2=CCCC2)CCC1=O 307087435 409616416 /nfs/dbraw/zinc/61/64/16/409616416.db2.gz LJUPDEFFNREJSE-JTQLQIEISA-N 1 1 193.290 2.008 10 0 AEAEMO F[C@H]1CC[N@@H+](C[C@H]2C[C@@H]3C[C@@H]3C2)C1 660691139 409616493 /nfs/dbraw/zinc/61/64/93/409616493.db2.gz FZBPFCQTTOUEIS-VLEAKVRGSA-N 1 1 183.270 2.076 10 0 AEAEMO F[C@H]1CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 660692975 409616547 /nfs/dbraw/zinc/61/65/47/409616547.db2.gz VAVMWLJUBGGICJ-WYUUTHIRSA-N 1 1 197.297 2.466 10 0 AEAEMO F[C@@H]1CC[N@@H+](CCC2CCC2)C1 660690970 409616626 /nfs/dbraw/zinc/61/66/26/409616626.db2.gz FAMWJXJVECHSFS-SNVBAGLBSA-N 1 1 171.259 2.220 10 0 AEAEMO C1CC(CC[N@H+]2C[C@@H]3C[C@H]2CS3)C1 660779509 409616667 /nfs/dbraw/zinc/61/66/67/409616667.db2.gz CPKOKDUABLSUDX-QWRGUYRKSA-N 1 1 197.347 2.366 10 0 AEAEMO CC(C)=CCC[N@H+]1C[C@@H](C)C[C@H](O)C1 660756377 409616718 /nfs/dbraw/zinc/61/67/18/409616718.db2.gz AFWQJMBFBXOEHR-RYUDHWBXSA-N 1 1 197.322 2.045 10 0 AEAEMO CC(C)=CCC[N@H+]1C[C@H](C)C[C@@H](O)C1 660756379 409616732 /nfs/dbraw/zinc/61/67/32/409616732.db2.gz AFWQJMBFBXOEHR-VXGBXAGGSA-N 1 1 197.322 2.045 10 0 AEAEMO CC(C)=CCC[N@H+]1C[C@@H](C)C[C@@H](O)C1 660756375 409617555 /nfs/dbraw/zinc/61/75/55/409617555.db2.gz AFWQJMBFBXOEHR-NWDGAFQWSA-N 1 1 197.322 2.045 10 0 AEAEMO CC(C)=CCC[N@@H+]1CCC[C@@H](O)[C@@H]1C 660690974 409617584 /nfs/dbraw/zinc/61/75/84/409617584.db2.gz FCGQYYXOYVSWPG-NWDGAFQWSA-N 1 1 197.322 2.188 10 0 AEAEMO CC(C)=CCC[N@@H+]1CCC[C@H](O)[C@@H]1C 660690975 409618020 /nfs/dbraw/zinc/61/80/20/409618020.db2.gz FCGQYYXOYVSWPG-RYUDHWBXSA-N 1 1 197.322 2.188 10 0 AEAEMO C[C@@H]1C[N@H+](CC2=CCCC2)CCC1=O 307087436 409618107 /nfs/dbraw/zinc/61/81/07/409618107.db2.gz LJUPDEFFNREJSE-SNVBAGLBSA-N 1 1 193.290 2.008 10 0 AEAEMO C[C@@H]1C[N@@H+](CC2=CCCC2)CCC1=O 307087436 409618113 /nfs/dbraw/zinc/61/81/13/409618113.db2.gz LJUPDEFFNREJSE-SNVBAGLBSA-N 1 1 193.290 2.008 10 0 AEAEMO CC(C)=CCC[N@@H+]1CCC[C@H](O)[C@H]1C 660690973 409618213 /nfs/dbraw/zinc/61/82/13/409618213.db2.gz FCGQYYXOYVSWPG-NEPJUHHUSA-N 1 1 197.322 2.188 10 0 AEAEMO CC(C)=CCC[N@@H+]1CCC[C@@H](O)[C@H]1C 660690976 409618225 /nfs/dbraw/zinc/61/82/25/409618225.db2.gz FCGQYYXOYVSWPG-VXGBXAGGSA-N 1 1 197.322 2.188 10 0 AEAEMO C1=CCC(C[N@H+]2C[C@@H]3C[C@H]2CS3)C1 660779691 409618263 /nfs/dbraw/zinc/61/82/63/409618263.db2.gz HEHVSKICYKEOID-QWRGUYRKSA-N 1 1 195.331 2.142 10 0 AEAEMO CC(C)=CCC[N@@H+]1C[C@H](O)CC[C@@H]1C 660832811 409619781 /nfs/dbraw/zinc/61/97/81/409619781.db2.gz MWWRSWYRANOVIY-NWDGAFQWSA-N 1 1 197.322 2.188 10 0 AEAEMO CC(C)=CCC[N@@H+]1C[C@H](O)CC[C@H]1C 660832815 409619900 /nfs/dbraw/zinc/61/99/00/409619900.db2.gz MWWRSWYRANOVIY-VXGBXAGGSA-N 1 1 197.322 2.188 10 0 AEAEMO CCCC[N@H+]1CCCN(CC)C[C@@H]1C 660792797 409620099 /nfs/dbraw/zinc/62/00/99/409620099.db2.gz HYYNPNCRVWJDLQ-LBPRGKRZSA-N 1 1 198.354 2.203 10 0 AEAEMO CCCCN1CCC[N@H+](CC)C[C@@H]1C 660792797 409620101 /nfs/dbraw/zinc/62/01/01/409620101.db2.gz HYYNPNCRVWJDLQ-LBPRGKRZSA-N 1 1 198.354 2.203 10 0 AEAEMO CCCCN1CCC[N@@H+](CC)C[C@@H]1C 660792797 409620107 /nfs/dbraw/zinc/62/01/07/409620107.db2.gz HYYNPNCRVWJDLQ-LBPRGKRZSA-N 1 1 198.354 2.203 10 0 AEAEMO Cc1nc(C[N@H+](C)C(C)(C)C)co1 660905194 409620939 /nfs/dbraw/zinc/62/09/39/409620939.db2.gz WAPQTVAYRSDLKI-UHFFFAOYSA-N 1 1 182.267 2.213 10 0 AEAEMO CC(C)=CCC[N@@H+]1C[C@@H](O)CC[C@H]1C 660832807 409620995 /nfs/dbraw/zinc/62/09/95/409620995.db2.gz MWWRSWYRANOVIY-NEPJUHHUSA-N 1 1 197.322 2.188 10 0 AEAEMO CC(C)CC[N@H+]1C[C@H](C)[C@@H]1C 307137244 409621287 /nfs/dbraw/zinc/62/12/87/409621287.db2.gz WTWVFZKWNYTAGW-UWVGGRQHSA-N 1 1 155.285 2.373 10 0 AEAEMO CC(C)CC[N@H+]1C[C@@H](C)[C@@H]1C 307137246 409621654 /nfs/dbraw/zinc/62/16/54/409621654.db2.gz WTWVFZKWNYTAGW-ZJUUUORDSA-N 1 1 155.285 2.373 10 0 AEAEMO CC(C)CC[N@H+]1C[C@@H](C)[C@H]1C 307137243 409621673 /nfs/dbraw/zinc/62/16/73/409621673.db2.gz WTWVFZKWNYTAGW-NXEZZACHSA-N 1 1 155.285 2.373 10 0 AEAEMO CC(C)=CCC[N@@H+]1C[C@@H](O)CC[C@@H]1C 660832814 409621930 /nfs/dbraw/zinc/62/19/30/409621930.db2.gz MWWRSWYRANOVIY-RYUDHWBXSA-N 1 1 197.322 2.188 10 0 AEAEMO CC(C)CC[N@H+]1C[C@H](C)[C@H]1C 307137245 409622565 /nfs/dbraw/zinc/62/25/65/409622565.db2.gz WTWVFZKWNYTAGW-VHSXEESVSA-N 1 1 155.285 2.373 10 0 AEAEMO CCCC[N@H+]1CCCN(CC)C[C@H]1C 660792796 409622790 /nfs/dbraw/zinc/62/27/90/409622790.db2.gz HYYNPNCRVWJDLQ-GFCCVEGCSA-N 1 1 198.354 2.203 10 0 AEAEMO CCCCN1CCC[N@H+](CC)C[C@H]1C 660792796 409622793 /nfs/dbraw/zinc/62/27/93/409622793.db2.gz HYYNPNCRVWJDLQ-GFCCVEGCSA-N 1 1 198.354 2.203 10 0 AEAEMO C1CO[C@H](C[N@H+]2C[C@@H]3CCCC[C@@H]32)C1 660927489 409624070 /nfs/dbraw/zinc/62/40/70/409624070.db2.gz BWZWOMUKNXANCP-SRVKXCTJSA-N 1 1 195.306 2.040 10 0 AEAEMO C1CC[C@H]2[C@@H](C1)C[N@@H+]2CC1CC1 660928696 409625371 /nfs/dbraw/zinc/62/53/71/409625371.db2.gz ADXHDEZVTTXMHM-QWRGUYRKSA-N 1 1 165.280 2.271 10 0 AEAEMO C1CC[C@H]2[C@@H](C1)C[N@@H+]2C[C@H]1CCCO1 660927490 409626263 /nfs/dbraw/zinc/62/62/63/409626263.db2.gz BWZWOMUKNXANCP-TUAOUCFPSA-N 1 1 195.306 2.040 10 0 AEAEMO CC[C@@H]1CC[N@H+]1C[C@@H]1C[C@H]1C 307209949 409626731 /nfs/dbraw/zinc/62/67/31/409626731.db2.gz QAERXQDSSMOTMD-KXUCPTDWSA-N 1 1 153.269 2.127 10 0 AEAEMO CC[C@@H]1CC[N@H+]1C[C@H]1C[C@@H]1C 307209948 409626925 /nfs/dbraw/zinc/62/69/25/409626925.db2.gz QAERXQDSSMOTMD-IVZWLZJFSA-N 1 1 153.269 2.127 10 0 AEAEMO CC[C@@H]1CC[N@H+]1C[C@H]1C[C@H]1C 307209951 409627092 /nfs/dbraw/zinc/62/70/92/409627092.db2.gz QAERXQDSSMOTMD-OPRDCNLKSA-N 1 1 153.269 2.127 10 0 AEAEMO CC[C@@H]1CC[N@H+]1C[C@@H]1C[C@@H]1C 307209950 409627311 /nfs/dbraw/zinc/62/73/11/409627311.db2.gz QAERXQDSSMOTMD-LPEHRKFASA-N 1 1 153.269 2.127 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)Cc1ccn(C)n1 661104461 409628068 /nfs/dbraw/zinc/62/80/68/409628068.db2.gz NVEFWRZIVVKCGJ-SNVBAGLBSA-N 1 1 195.310 2.041 10 0 AEAEMO Cc1[nH+]ccn1CC1=CCCC1 307233906 409628423 /nfs/dbraw/zinc/62/84/23/409628423.db2.gz DJEKNCGZMPLXIS-UHFFFAOYSA-N 1 1 162.236 2.302 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)Cc1ccn(C)n1 661104460 409631720 /nfs/dbraw/zinc/63/17/20/409631720.db2.gz NVEFWRZIVVKCGJ-JTQLQIEISA-N 1 1 195.310 2.041 10 0 AEAEMO CCCC[N@H+]1CCO[C@](C)(C2CC2)C1 661167243 409634470 /nfs/dbraw/zinc/63/44/70/409634470.db2.gz HWCDMLNAVISYSG-LBPRGKRZSA-N 1 1 197.322 2.287 10 0 AEAEMO CCCC[N@H+]1CCO[C@@](C)(C2CC2)C1 661167241 409634630 /nfs/dbraw/zinc/63/46/30/409634630.db2.gz HWCDMLNAVISYSG-GFCCVEGCSA-N 1 1 197.322 2.287 10 0 AEAEMO OCC[N@H+]1CCCC2(CCCC2)CC1 661229761 409636658 /nfs/dbraw/zinc/63/66/58/409636658.db2.gz NKIUEPDQCDBSRD-UHFFFAOYSA-N 1 1 197.322 2.025 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCO[C@@](C)(C2CC2)C1 661168383 409636704 /nfs/dbraw/zinc/63/67/04/409636704.db2.gz NMLJJZWKJZWVMD-ZYHUDNBSSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCO[C@](C)(C2CC2)C1 661168382 409637247 /nfs/dbraw/zinc/63/72/47/409637247.db2.gz NMLJJZWKJZWVMD-PWSUYJOCSA-N 1 1 197.322 2.286 10 0 AEAEMO CC(C)C[N@H+]1CCO[C@](C)(C2CC2)C1 661171511 409637582 /nfs/dbraw/zinc/63/75/82/409637582.db2.gz WTECJRPFMJLSNJ-LBPRGKRZSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[C@H](C)[N@H+]1CCO[C@](C)(C2CC2)C1 661168381 409637734 /nfs/dbraw/zinc/63/77/34/409637734.db2.gz NMLJJZWKJZWVMD-JQWIXIFHSA-N 1 1 197.322 2.286 10 0 AEAEMO CCC(C)(C)[C@H](C)[NH2+]Cc1c[nH]cn1 661231080 409637994 /nfs/dbraw/zinc/63/79/94/409637994.db2.gz HZDWJMKDPXOXRY-VIFPVBQESA-N 1 1 195.310 2.324 10 0 AEAEMO CC[C@H](C)[N@H+]1CCO[C@@](C)(C2CC2)C1 661168380 409638747 /nfs/dbraw/zinc/63/87/47/409638747.db2.gz NMLJJZWKJZWVMD-CMPLNLGQSA-N 1 1 197.322 2.286 10 0 AEAEMO CC(C)C[N@H+]1CCO[C@@](C)(C2CC2)C1 661171510 409638815 /nfs/dbraw/zinc/63/88/15/409638815.db2.gz WTECJRPFMJLSNJ-GFCCVEGCSA-N 1 1 197.322 2.143 10 0 AEAEMO CCC(C)(C)[C@@H](C)[NH2+]Cc1c[nH]cn1 661231073 409638854 /nfs/dbraw/zinc/63/88/54/409638854.db2.gz HZDWJMKDPXOXRY-SECBINFHSA-N 1 1 195.310 2.324 10 0 AEAEMO CC(C)C[N@H+]1CC2(CCC2)OC[C@H]1C 661466965 409640273 /nfs/dbraw/zinc/64/02/73/409640273.db2.gz PCGJMIQRIVMSDI-LLVKDONJSA-N 1 1 197.322 2.286 10 0 AEAEMO CC(C)C[N@H+]1CC2(CCC2)OC[C@@H]1C 661466966 409640957 /nfs/dbraw/zinc/64/09/57/409640957.db2.gz PCGJMIQRIVMSDI-NSHDSACASA-N 1 1 197.322 2.286 10 0 AEAEMO CCCC[N@H+]1CC2(CCC2)OC[C@@H]1C 661466114 409641675 /nfs/dbraw/zinc/64/16/75/409641675.db2.gz KJADLSKEYIGOAM-NSHDSACASA-N 1 1 197.322 2.430 10 0 AEAEMO CCC[N@H+]1CC2(CCC2)OC[C@@H]1C 661465029 409642319 /nfs/dbraw/zinc/64/23/19/409642319.db2.gz FCFIBHUQCAIYRY-JTQLQIEISA-N 1 1 183.295 2.040 10 0 AEAEMO CCC[N@H+]1CC2(CCC2)OC[C@H]1C 661465030 409642673 /nfs/dbraw/zinc/64/26/73/409642673.db2.gz FCFIBHUQCAIYRY-SNVBAGLBSA-N 1 1 183.295 2.040 10 0 AEAEMO C[C@H]1COC2(CCC2)C[N@H+]1CC1CC1 661468459 409642712 /nfs/dbraw/zinc/64/27/12/409642712.db2.gz ZPWKPFYHYRQZBZ-JTQLQIEISA-N 1 1 195.306 2.040 10 0 AEAEMO CCCC[N@H+]1CC2(CCC2)OC[C@H]1C 661466113 409642837 /nfs/dbraw/zinc/64/28/37/409642837.db2.gz KJADLSKEYIGOAM-LLVKDONJSA-N 1 1 197.322 2.430 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@@]2(C)COC[C@@]2(C)C1 661490787 409645587 /nfs/dbraw/zinc/64/55/87/409645587.db2.gz JHFWOKJROCZJDY-SDDRHHMPSA-N 1 1 197.322 2.143 10 0 AEAEMO CCCCC[N@H+](C)Cc1nnc(C)o1 661528970 409645604 /nfs/dbraw/zinc/64/56/04/409645604.db2.gz FAEVLYFZJAMMHV-UHFFFAOYSA-N 1 1 197.282 2.000 10 0 AEAEMO CCCCC[N@@H+](C)Cc1nnc(C)o1 661528970 409645613 /nfs/dbraw/zinc/64/56/13/409645613.db2.gz FAEVLYFZJAMMHV-UHFFFAOYSA-N 1 1 197.282 2.000 10 0 AEAEMO CC(C)C[N@H+]1C[C@@]2(C)COC[C@@]2(C)C1 661502756 409646339 /nfs/dbraw/zinc/64/63/39/409646339.db2.gz QZSWZYKDQPQWMZ-TXEJJXNPSA-N 1 1 197.322 2.001 10 0 AEAEMO C[C@@H]1COC2(CCC2)C[N@H+]1CC1CC1 661468461 409646826 /nfs/dbraw/zinc/64/68/26/409646826.db2.gz ZPWKPFYHYRQZBZ-SNVBAGLBSA-N 1 1 195.306 2.040 10 0 AEAEMO CC[C@@H](C)[N@H+]1C[C@@]2(C)COC[C@@]2(C)C1 661490788 409647070 /nfs/dbraw/zinc/64/70/70/409647070.db2.gz JHFWOKJROCZJDY-UTUOFQBUSA-N 1 1 197.322 2.143 10 0 AEAEMO CCCC[N@H+]1C[C@@]2(C)COC[C@@]2(C)C1 661501185 409647745 /nfs/dbraw/zinc/64/77/45/409647745.db2.gz JTDULBKUYRABQF-TXEJJXNPSA-N 1 1 197.322 2.145 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCC[C@](O)(C2CC2)C1 661630995 409650209 /nfs/dbraw/zinc/65/02/09/409650209.db2.gz JPDMXKMJRKLPSW-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC[C@@](O)(C2CC2)C1 661630992 409650406 /nfs/dbraw/zinc/65/04/06/409650406.db2.gz JPDMXKMJRKLPSW-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[C@@H](C)[N@H+]1C[C@H](C)[C@@H](O)[C@H](C)C1 661621354 409650659 /nfs/dbraw/zinc/65/06/59/409650659.db2.gz CYPUKYMSQNVUQS-KXNHARMFSA-N 1 1 199.338 2.124 10 0 AEAEMO C[C@H]1CC[C@H](O)C[N@H+]1CC1(C)CCC1 307516685 409650705 /nfs/dbraw/zinc/65/07/05/409650705.db2.gz VWTWKTQWIMXNGV-QWRGUYRKSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCC[N@H+]1CCC[C@](O)(C2CC2)C1 661634172 409650854 /nfs/dbraw/zinc/65/08/54/409650854.db2.gz WJXKQCYRMCIWSL-GFCCVEGCSA-N 1 1 197.322 2.023 10 0 AEAEMO CCCCC[N@H+]1C[C@H](C)[C@@H](O)[C@H](C)C1 661626967 409651001 /nfs/dbraw/zinc/65/10/01/409651001.db2.gz PKXATNSDCDHMQN-GDNZZTSVSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H]1CC[C@@H](O)C[N@H+]1CC1(C)CCC1 307516687 409651080 /nfs/dbraw/zinc/65/10/80/409651080.db2.gz VWTWKTQWIMXNGV-WDEREUQCSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCC[N@H+]1CCC[C@@](O)(C2CC2)C1 661634173 409651164 /nfs/dbraw/zinc/65/11/64/409651164.db2.gz WJXKQCYRMCIWSL-LBPRGKRZSA-N 1 1 197.322 2.023 10 0 AEAEMO CCC[C@H](C)[N@H+]1C[C@H](C)[C@@H](O)[C@H](C)C1 661621361 409651471 /nfs/dbraw/zinc/65/14/71/409651471.db2.gz CYPUKYMSQNVUQS-WHOHXGKFSA-N 1 1 199.338 2.124 10 0 AEAEMO C[C@@H]1CC[C@@H](O)C[N@H+]1CC1(C)CCC1 307516683 409651518 /nfs/dbraw/zinc/65/15/18/409651518.db2.gz VWTWKTQWIMXNGV-GHMZBOCLSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC[C@](O)(C2CC2)C1 661630989 409651562 /nfs/dbraw/zinc/65/15/62/409651562.db2.gz JPDMXKMJRKLPSW-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCC[C@@](O)(C2CC2)C1 661630994 409651854 /nfs/dbraw/zinc/65/18/54/409651854.db2.gz JPDMXKMJRKLPSW-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@@H]1CC[C@H](O)C[N@H+]1CC1(C)CCC1 307516684 409652336 /nfs/dbraw/zinc/65/23/36/409652336.db2.gz VWTWKTQWIMXNGV-MNOVXSKESA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H](CCF)C1 661697152 409652865 /nfs/dbraw/zinc/65/28/65/409652865.db2.gz OPRDCOGLECDEGP-JTQLQIEISA-N 1 1 173.275 2.466 10 0 AEAEMO FCC[C@H]1CCC[N@@H+](CC2CC2)C1 661693009 409652933 /nfs/dbraw/zinc/65/29/33/409652933.db2.gz JZBIFIFQCCDXRO-SNVBAGLBSA-N 1 1 185.286 2.468 10 0 AEAEMO CCC[N@H+]1CCC[C@@H](CCF)C1 661695690 409653014 /nfs/dbraw/zinc/65/30/14/409653014.db2.gz HMEQJCMSLCIOSN-JTQLQIEISA-N 1 1 173.275 2.468 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H](CCF)C1 661697153 409653107 /nfs/dbraw/zinc/65/31/07/409653107.db2.gz OPRDCOGLECDEGP-SNVBAGLBSA-N 1 1 173.275 2.466 10 0 AEAEMO CC(C)CC[N@H+]1C[C@H]2COC[C@]2(C)C1 661701690 409653553 /nfs/dbraw/zinc/65/35/53/409653553.db2.gz MWODNJGFZIHJSZ-RYUDHWBXSA-N 1 1 197.322 2.001 10 0 AEAEMO CC[N@H+]1CCC[C@@H](CCF)C1 661693348 409653748 /nfs/dbraw/zinc/65/37/48/409653748.db2.gz NXTSPZLUIPPVJN-VIFPVBQESA-N 1 1 159.248 2.078 10 0 AEAEMO CC[C@H](C)C[N@H+]1C[C@H]2COC[C@@]2(C)C1 661704769 409653845 /nfs/dbraw/zinc/65/38/45/409653845.db2.gz MQQYLQDGICAPGF-SDDRHHMPSA-N 1 1 197.322 2.001 10 0 AEAEMO FCC[C@@H]1CCC[N@@H+](CC2CC2)C1 661693008 409654252 /nfs/dbraw/zinc/65/42/52/409654252.db2.gz JZBIFIFQCCDXRO-JTQLQIEISA-N 1 1 185.286 2.468 10 0 AEAEMO CC[C@H](C)C[N@H+]1C[C@H]2COC[C@]2(C)C1 661704770 409654305 /nfs/dbraw/zinc/65/43/05/409654305.db2.gz MQQYLQDGICAPGF-SRVKXCTJSA-N 1 1 197.322 2.001 10 0 AEAEMO CC[C@H](C)C[N@H+]1C[C@@H]2COC[C@@]2(C)C1 661704767 409654472 /nfs/dbraw/zinc/65/44/72/409654472.db2.gz MQQYLQDGICAPGF-QJPTWQEYSA-N 1 1 197.322 2.001 10 0 AEAEMO CC[C@H](C)C[N@H+]1C[C@@H]2COC[C@]2(C)C1 661704774 409654516 /nfs/dbraw/zinc/65/45/16/409654516.db2.gz MQQYLQDGICAPGF-TUAOUCFPSA-N 1 1 197.322 2.001 10 0 AEAEMO CCCCC[N@H+]1C[C@@H]2COC[C@@]2(C)C1 661704259 409654542 /nfs/dbraw/zinc/65/45/42/409654542.db2.gz LBOSHEDGUUSNAR-VXGBXAGGSA-N 1 1 197.322 2.145 10 0 AEAEMO CCCCC[N@H+]1C[C@@H]2COC[C@]2(C)C1 661704254 409654604 /nfs/dbraw/zinc/65/46/04/409654604.db2.gz LBOSHEDGUUSNAR-NEPJUHHUSA-N 1 1 197.322 2.145 10 0 AEAEMO CCCCC[N@H+]1C[C@H]2COC[C@]2(C)C1 661704257 409654847 /nfs/dbraw/zinc/65/48/47/409654847.db2.gz LBOSHEDGUUSNAR-RYUDHWBXSA-N 1 1 197.322 2.145 10 0 AEAEMO CC(C)CC[N@H+]1C[C@H]2COC[C@@]2(C)C1 661701689 409654906 /nfs/dbraw/zinc/65/49/06/409654906.db2.gz MWODNJGFZIHJSZ-NWDGAFQWSA-N 1 1 197.322 2.001 10 0 AEAEMO CCC[N@H+]1CCC[C@H](CCF)C1 661695691 409654985 /nfs/dbraw/zinc/65/49/85/409654985.db2.gz HMEQJCMSLCIOSN-SNVBAGLBSA-N 1 1 173.275 2.468 10 0 AEAEMO CC[N@H+]1CCC[C@H](CCF)C1 661693347 409655041 /nfs/dbraw/zinc/65/50/41/409655041.db2.gz NXTSPZLUIPPVJN-SECBINFHSA-N 1 1 159.248 2.078 10 0 AEAEMO FCCC[N@H+]1CCC[C@H](CCF)C1 661694389 409655242 /nfs/dbraw/zinc/65/52/42/409655242.db2.gz XUOPWADTPRTVHO-SNVBAGLBSA-N 1 1 191.265 2.418 10 0 AEAEMO CCCCC[N@H+]1C[C@H]2COC[C@@]2(C)C1 661704255 409655254 /nfs/dbraw/zinc/65/52/54/409655254.db2.gz LBOSHEDGUUSNAR-NWDGAFQWSA-N 1 1 197.322 2.145 10 0 AEAEMO CC(C)CC[N@H+]1C[C@@H]2COC[C@@]2(C)C1 661701691 409655399 /nfs/dbraw/zinc/65/53/99/409655399.db2.gz MWODNJGFZIHJSZ-VXGBXAGGSA-N 1 1 197.322 2.001 10 0 AEAEMO CC(C)CC[N@H+]1C[C@@H]2COC[C@]2(C)C1 661701688 409655522 /nfs/dbraw/zinc/65/55/22/409655522.db2.gz MWODNJGFZIHJSZ-NEPJUHHUSA-N 1 1 197.322 2.001 10 0 AEAEMO FCCC[N@H+]1CCC[C@@H](CCF)C1 661694387 409655893 /nfs/dbraw/zinc/65/58/93/409655893.db2.gz XUOPWADTPRTVHO-JTQLQIEISA-N 1 1 191.265 2.418 10 0 AEAEMO CC(F)(F)C[NH2+][C@H]1CCCSC1 307605689 409657432 /nfs/dbraw/zinc/65/74/32/409657432.db2.gz ZANJDFOAGZUPPH-ZETCQYMHSA-N 1 1 195.278 2.127 10 0 AEAEMO CCC[C@H](C)[N@H+]1C[C@H]2COC[C@@]2(C)C1 661705359 409658548 /nfs/dbraw/zinc/65/85/48/409658548.db2.gz VQSWCWZTEPAVJU-SDDRHHMPSA-N 1 1 197.322 2.143 10 0 AEAEMO CCC[C@H](C)[N@H+]1C[C@@H]2COC[C@@]2(C)C1 661705356 409659233 /nfs/dbraw/zinc/65/92/33/409659233.db2.gz VQSWCWZTEPAVJU-QJPTWQEYSA-N 1 1 197.322 2.143 10 0 AEAEMO CCC[C@H](C)[N@H+]1C[C@@H]2COC[C@]2(C)C1 661705367 409659448 /nfs/dbraw/zinc/65/94/48/409659448.db2.gz VQSWCWZTEPAVJU-TUAOUCFPSA-N 1 1 197.322 2.143 10 0 AEAEMO CCC[C@H](C)[N@H+]1C[C@H]2COC[C@]2(C)C1 661705365 409659707 /nfs/dbraw/zinc/65/97/07/409659707.db2.gz VQSWCWZTEPAVJU-SRVKXCTJSA-N 1 1 197.322 2.143 10 0 AEAEMO CC(F)(F)C[NH2+][C@@H]1CCCSC1 307605688 409659868 /nfs/dbraw/zinc/65/98/68/409659868.db2.gz ZANJDFOAGZUPPH-SSDOTTSWSA-N 1 1 195.278 2.127 10 0 AEAEMO C[C@@H]1[C@@H]([NH2+]C2(C(F)F)CC2)C[C@H]1C 307628218 409661064 /nfs/dbraw/zinc/66/10/64/409661064.db2.gz WDZDIQMTZIYTTH-CSMHCCOUSA-N 1 1 189.249 2.418 10 0 AEAEMO C[C@H]1[C@H](C)C[C@H]1[NH2+]C1(C(F)F)CC1 307628220 409662964 /nfs/dbraw/zinc/66/29/64/409662964.db2.gz WDZDIQMTZIYTTH-GJMOJQLCSA-N 1 1 189.249 2.418 10 0 AEAEMO C[C@@H]1C[C@H]([NH2+]C2(C(F)F)CC2)[C@@H]1C 307628222 409663309 /nfs/dbraw/zinc/66/33/09/409663309.db2.gz WDZDIQMTZIYTTH-PRJMDXOYSA-N 1 1 189.249 2.418 10 0 AEAEMO C[C@@H]1C[C@@H]([NH2+]C2(C(F)F)CC2)[C@@H]1C 307628215 409663460 /nfs/dbraw/zinc/66/34/60/409663460.db2.gz WDZDIQMTZIYTTH-BWZBUEFSSA-N 1 1 189.249 2.418 10 0 AEAEMO C[C@H]1C[N@@H+](CCCCF)[C@@H]1C 307662869 409664947 /nfs/dbraw/zinc/66/49/47/409664947.db2.gz WNJINBDYDKQGIU-DTWKUNHWSA-N 1 1 159.248 2.076 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 661852708 409665341 /nfs/dbraw/zinc/66/53/41/409665341.db2.gz DPDPVRBVNQBLRL-AXFHLTTASA-N 1 1 185.311 2.284 10 0 AEAEMO C[C@H]1C[N@@H+](CCCCF)[C@H]1C 307662870 409666120 /nfs/dbraw/zinc/66/61/20/409666120.db2.gz WNJINBDYDKQGIU-IUCAKERBSA-N 1 1 159.248 2.076 10 0 AEAEMO CC(C)=CC[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 661852751 409666373 /nfs/dbraw/zinc/66/63/73/409666373.db2.gz FYYXGBMJLBOZGJ-NEPJUHHUSA-N 1 1 197.322 2.452 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1CCCCF 307662868 409666377 /nfs/dbraw/zinc/66/63/77/409666377.db2.gz WNJINBDYDKQGIU-BDAKNGLRSA-N 1 1 159.248 2.076 10 0 AEAEMO C[C@@H]1C[N@@H+](CCCCF)[C@@H]1C 307662871 409666434 /nfs/dbraw/zinc/66/64/34/409666434.db2.gz WNJINBDYDKQGIU-RKDXNWHRSA-N 1 1 159.248 2.076 10 0 AEAEMO C[C@H]1C[N@H+](CC2CCC2)CC[C@@H](C)O1 661850728 409666693 /nfs/dbraw/zinc/66/66/93/409666693.db2.gz NMJKKCWMIWJPIF-MNOVXSKESA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@@H](C)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 661852709 409666811 /nfs/dbraw/zinc/66/68/11/409666811.db2.gz DPDPVRBVNQBLRL-MXWKQRLJSA-N 1 1 185.311 2.284 10 0 AEAEMO CCCC[N@H+]1CC[C@@H](C)O[C@@H](C)C1 661856189 409666824 /nfs/dbraw/zinc/66/68/24/409666824.db2.gz FQUCPNRLAIXYDK-MNOVXSKESA-N 1 1 185.311 2.286 10 0 AEAEMO C[C@H]1C[N@H+](CCC2CC2)CC[C@@H](C)O1 661853242 409667599 /nfs/dbraw/zinc/66/75/99/409667599.db2.gz PRPGPDWULXKGLZ-MNOVXSKESA-N 1 1 197.322 2.286 10 0 AEAEMO CC(C)C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 661857739 409670349 /nfs/dbraw/zinc/67/03/49/409670349.db2.gz SFUGBYIQZHYZSV-MNOVXSKESA-N 1 1 185.311 2.142 10 0 AEAEMO C[C@H]1C[N@@H+](C2CCCC2)CC[C@@H](C)O1 661856939 409670721 /nfs/dbraw/zinc/67/07/21/409670721.db2.gz KJMGYAWJMMKITK-MNOVXSKESA-N 1 1 197.322 2.428 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@H]2C[C@H]2C1 661967047 409672553 /nfs/dbraw/zinc/67/25/53/409672553.db2.gz NONNVXZHYYYVNJ-GUBZILKMSA-N 1 1 153.269 2.127 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@@H]2C[C@@H]2C1 661967048 409672595 /nfs/dbraw/zinc/67/25/95/409672595.db2.gz NONNVXZHYYYVNJ-IVZWLZJFSA-N 1 1 153.269 2.127 10 0 AEAEMO C1C[N@H+](C[C@H]2C[C@@H]3C[C@@H]3C2)C[C@H]2C[C@@H]12 661966601 409672771 /nfs/dbraw/zinc/67/27/71/409672771.db2.gz KHQYJXLBIVMONB-UJPOAAIJSA-N 1 1 191.318 2.374 10 0 AEAEMO CC[C@@H]1CC[N@H+]1CCCCF 307930900 409672862 /nfs/dbraw/zinc/67/28/62/409672862.db2.gz VDATVYUEETXPAJ-SECBINFHSA-N 1 1 159.248 2.220 10 0 AEAEMO CC(C)CC[N@H+]1CC[C@@H]2COC[C@@H]2C1 662039680 409680843 /nfs/dbraw/zinc/68/08/43/409680843.db2.gz VNFZVWBRVJSDBQ-NEPJUHHUSA-N 1 1 197.322 2.001 10 0 AEAEMO CC[C@H]1CC[N@H+]1CCCCF 307930901 409673567 /nfs/dbraw/zinc/67/35/67/409673567.db2.gz VDATVYUEETXPAJ-VIFPVBQESA-N 1 1 159.248 2.220 10 0 AEAEMO C1[C@H](C[N@H+]2CC[C@H]3C[C@H]3C2)C[C@H]2C[C@@H]12 661966602 409673637 /nfs/dbraw/zinc/67/36/37/409673637.db2.gz KHQYJXLBIVMONB-WJTVCTBASA-N 1 1 191.318 2.374 10 0 AEAEMO CCCCC[N@H+]1CC[C@@H]2COC[C@@H]2C1 662037025 409681109 /nfs/dbraw/zinc/68/11/09/409681109.db2.gz TYYZDZBGFKOEFB-NEPJUHHUSA-N 1 1 197.322 2.145 10 0 AEAEMO COC(C)(C)CC[N@H+]1CC[C@H]2C[C@H]2C1 661970765 409675193 /nfs/dbraw/zinc/67/51/93/409675193.db2.gz MEMBTNSGMIATRT-QWRGUYRKSA-N 1 1 197.322 2.143 10 0 AEAEMO COC(C)(C)CC[N@H+]1CC[C@@H]2C[C@@H]2C1 661970763 409676281 /nfs/dbraw/zinc/67/62/81/409676281.db2.gz MEMBTNSGMIATRT-GHMZBOCLSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[N@H+]1CC2(CCCC2)OC[C@H]1C 661985333 409678295 /nfs/dbraw/zinc/67/82/95/409678295.db2.gz RHRQROGBZABADM-SNVBAGLBSA-N 1 1 183.295 2.040 10 0 AEAEMO CC[N@H+]1CC2(CCCC2)OC[C@@H]1C 661985332 409679063 /nfs/dbraw/zinc/67/90/63/409679063.db2.gz RHRQROGBZABADM-JTQLQIEISA-N 1 1 183.295 2.040 10 0 AEAEMO CCC[N@H+]1CC2(CCCC2)OC[C@@H]1C 661982362 409679374 /nfs/dbraw/zinc/67/93/74/409679374.db2.gz DXGBYJNWWICLSF-NSHDSACASA-N 1 1 197.322 2.430 10 0 AEAEMO CCC[N@H+]1CC2(CCCC2)OC[C@H]1C 661982361 409679398 /nfs/dbraw/zinc/67/93/98/409679398.db2.gz DXGBYJNWWICLSF-LLVKDONJSA-N 1 1 197.322 2.430 10 0 AEAEMO CC[C@H]1CC[N@H+]1CCC(F)(F)F 308072046 409680539 /nfs/dbraw/zinc/68/05/39/409680539.db2.gz CHFFENCPKFHQJE-ZETCQYMHSA-N 1 1 181.201 2.423 10 0 AEAEMO CC(C)CC[N@H+]1CC[C@H]2COC[C@@H]2C1 662039691 409680699 /nfs/dbraw/zinc/68/06/99/409680699.db2.gz VNFZVWBRVJSDBQ-RYUDHWBXSA-N 1 1 197.322 2.001 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@H]2COC[C@H]2C1 662030481 409680805 /nfs/dbraw/zinc/68/08/05/409680805.db2.gz FXEROPSOGVINMQ-SDDRHHMPSA-N 1 1 197.322 2.143 10 0 AEAEMO CC(C)CC[N@H+]1CC[C@H]2COC[C@H]2C1 662039688 409681017 /nfs/dbraw/zinc/68/10/17/409681017.db2.gz VNFZVWBRVJSDBQ-NWDGAFQWSA-N 1 1 197.322 2.001 10 0 AEAEMO CC[C@H](C)C[N@H+]1CC[C@H]2COC[C@H]2C1 662034157 409681138 /nfs/dbraw/zinc/68/11/38/409681138.db2.gz MLKGKPBENWRFRS-SDDRHHMPSA-N 1 1 197.322 2.001 10 0 AEAEMO CCC(CC)CCC[N@@H+](C)CCO 662037158 409681193 /nfs/dbraw/zinc/68/11/93/409681193.db2.gz GFPSUSMDDVFBQA-UHFFFAOYSA-N 1 1 187.327 2.127 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@@H]2COC[C@H]2C1 662030480 409681228 /nfs/dbraw/zinc/68/12/28/409681228.db2.gz FXEROPSOGVINMQ-QJPTWQEYSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[C@H](C)C[N@H+]1CC[C@@H]2COC[C@@H]2C1 662034159 409681250 /nfs/dbraw/zinc/68/12/50/409681250.db2.gz MLKGKPBENWRFRS-TUAOUCFPSA-N 1 1 197.322 2.001 10 0 AEAEMO CC[C@@H]1CC[N@H+]1CCC(F)(F)F 308072045 409681482 /nfs/dbraw/zinc/68/14/82/409681482.db2.gz CHFFENCPKFHQJE-SSDOTTSWSA-N 1 1 181.201 2.423 10 0 AEAEMO CC(C)CC[N@H+]1CC[C@@H]2COC[C@H]2C1 662039693 409681662 /nfs/dbraw/zinc/68/16/62/409681662.db2.gz VNFZVWBRVJSDBQ-VXGBXAGGSA-N 1 1 197.322 2.001 10 0 AEAEMO CCCCC[N@H+]1CC[C@@H]2COC[C@H]2C1 662037028 409681721 /nfs/dbraw/zinc/68/17/21/409681721.db2.gz TYYZDZBGFKOEFB-VXGBXAGGSA-N 1 1 197.322 2.145 10 0 AEAEMO CCCCC[N@H+]1CC[C@H]2COC[C@H]2C1 662037026 409681761 /nfs/dbraw/zinc/68/17/61/409681761.db2.gz TYYZDZBGFKOEFB-NWDGAFQWSA-N 1 1 197.322 2.145 10 0 AEAEMO CC[C@H](C)C[N@H+]1CC[C@H]2COC[C@@H]2C1 662034158 409682092 /nfs/dbraw/zinc/68/20/92/409682092.db2.gz MLKGKPBENWRFRS-SRVKXCTJSA-N 1 1 197.322 2.001 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@@H]2COC[C@@H]2C1 662030483 409682169 /nfs/dbraw/zinc/68/21/69/409682169.db2.gz FXEROPSOGVINMQ-TUAOUCFPSA-N 1 1 197.322 2.143 10 0 AEAEMO COCC[N@H+]1CCC[C@H](C2CCC2)C1 662039750 409682344 /nfs/dbraw/zinc/68/23/44/409682344.db2.gz RHBBTWLUOFFQNS-LBPRGKRZSA-N 1 1 197.322 2.145 10 0 AEAEMO CCCCC[N@H+]1CC[C@H]2COC[C@@H]2C1 662037027 409683312 /nfs/dbraw/zinc/68/33/12/409683312.db2.gz TYYZDZBGFKOEFB-RYUDHWBXSA-N 1 1 197.322 2.145 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@H]2COC[C@@H]2C1 662030482 409683358 /nfs/dbraw/zinc/68/33/58/409683358.db2.gz FXEROPSOGVINMQ-SRVKXCTJSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[C@H](C)C[N@H+]1CC[C@@H]2COC[C@H]2C1 662034156 409683529 /nfs/dbraw/zinc/68/35/29/409683529.db2.gz MLKGKPBENWRFRS-QJPTWQEYSA-N 1 1 197.322 2.001 10 0 AEAEMO COCC[N@H+]1CCC[C@@H](C2CCC2)C1 662039749 409683607 /nfs/dbraw/zinc/68/36/07/409683607.db2.gz RHBBTWLUOFFQNS-GFCCVEGCSA-N 1 1 197.322 2.145 10 0 AEAEMO CC/C=C/CC[N@H+]1CCC2(COC2)C1 662073071 409684907 /nfs/dbraw/zinc/68/49/07/409684907.db2.gz RGJIUMRRRCRJRU-ONEGZZNKSA-N 1 1 195.306 2.065 10 0 AEAEMO CCC(CC)C[N@H+]1CCC2(COC2)C1 662071373 409685027 /nfs/dbraw/zinc/68/50/27/409685027.db2.gz YLTNUBCZDORDJD-UHFFFAOYSA-N 1 1 197.322 2.145 10 0 AEAEMO CC(C)CCC[N@H+]1CCC2(COC2)C1 662072650 409686038 /nfs/dbraw/zinc/68/60/38/409686038.db2.gz INQHTWPFRKOIGH-UHFFFAOYSA-N 1 1 197.322 2.145 10 0 AEAEMO CC(C)=CCC[N@H+]1CCC2(COC2)C1 662070233 409686292 /nfs/dbraw/zinc/68/62/92/409686292.db2.gz PAKGCBZMSVBBRC-UHFFFAOYSA-N 1 1 195.306 2.065 10 0 AEAEMO CC(C)(C)CC[N@H+]1CCC2(COC2)C1 662073488 409686310 /nfs/dbraw/zinc/68/63/10/409686310.db2.gz UGVZPECVZDKZKK-UHFFFAOYSA-N 1 1 197.322 2.145 10 0 AEAEMO CC/C=C\CC[N@H+]1CCC2(COC2)C1 662073070 409686657 /nfs/dbraw/zinc/68/66/57/409686657.db2.gz RGJIUMRRRCRJRU-ARJAWSKDSA-N 1 1 195.306 2.065 10 0 AEAEMO CC1C[C@@H]2CC[C@H](C1)[N@H+]2CC(C)(C)O 662129649 409691135 /nfs/dbraw/zinc/69/11/35/409691135.db2.gz JKKKHGYJLLIWJL-FGWVZKOKSA-N 1 1 197.322 2.020 10 0 AEAEMO CC(C)C[C@@H](C)[N@H+]1CCC2(COC2)C1 662075076 409691171 /nfs/dbraw/zinc/69/11/71/409691171.db2.gz WABCSXADWWCAAP-LLVKDONJSA-N 1 1 197.322 2.143 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CCC2(COC2)C1 662075077 409691262 /nfs/dbraw/zinc/69/12/62/409691262.db2.gz WABCSXADWWCAAP-NSHDSACASA-N 1 1 197.322 2.143 10 0 AEAEMO CC[C@H]1CC[N@H+]1CCOCC(C)C 308171652 409692239 /nfs/dbraw/zinc/69/22/39/409692239.db2.gz BQUFBJNHBGULQU-NSHDSACASA-N 1 1 185.311 2.143 10 0 AEAEMO OCC[N@H+]1CCCC[C@@H]1CC1CCC1 662157961 409692978 /nfs/dbraw/zinc/69/29/78/409692978.db2.gz RGFLHEBZSUEVDF-GFCCVEGCSA-N 1 1 197.322 2.023 10 0 AEAEMO CC[C@@H]1CC[N@H+]1CCOCC(C)C 308171650 409693471 /nfs/dbraw/zinc/69/34/71/409693471.db2.gz BQUFBJNHBGULQU-LLVKDONJSA-N 1 1 185.311 2.143 10 0 AEAEMO CCCCC[C@H]1CCCC[N@H+]1CCO 662153505 409694114 /nfs/dbraw/zinc/69/41/14/409694114.db2.gz DJMMBFHUUSULDR-LBPRGKRZSA-N 1 1 199.338 2.414 10 0 AEAEMO CCCCC[C@@H]1CCCC[N@H+]1CCO 662153504 409694421 /nfs/dbraw/zinc/69/44/21/409694421.db2.gz DJMMBFHUUSULDR-GFCCVEGCSA-N 1 1 199.338 2.414 10 0 AEAEMO OCC[N@H+]1CCCC[C@H]1CC1CCC1 662157962 409695511 /nfs/dbraw/zinc/69/55/11/409695511.db2.gz RGFLHEBZSUEVDF-LBPRGKRZSA-N 1 1 197.322 2.023 10 0 AEAEMO COCC[N@@H+](CCC1CC1)CC1CC1 662178099 409697761 /nfs/dbraw/zinc/69/77/61/409697761.db2.gz ROSGWMCBWBZYKT-UHFFFAOYSA-N 1 1 197.322 2.145 10 0 AEAEMO CCCCC[N@@H+](CC)[C@H]1CCOC1 308221829 409699257 /nfs/dbraw/zinc/69/92/57/409699257.db2.gz LNLYIXBHKOZPIU-NSHDSACASA-N 1 1 185.311 2.287 10 0 AEAEMO CC[N@@H+](CCC(C)C)[C@H]1CCOC1 308213543 409699580 /nfs/dbraw/zinc/69/95/80/409699580.db2.gz HUMTYLCEYUIIMC-NSHDSACASA-N 1 1 185.311 2.143 10 0 AEAEMO CCCCC[N@@H+](CC)[C@@H]1CCOC1 308221827 409699959 /nfs/dbraw/zinc/69/99/59/409699959.db2.gz LNLYIXBHKOZPIU-LLVKDONJSA-N 1 1 185.311 2.287 10 0 AEAEMO CC[N@@H+](CCC(C)C)[C@@H]1CCOC1 308213542 409700591 /nfs/dbraw/zinc/70/05/91/409700591.db2.gz HUMTYLCEYUIIMC-LLVKDONJSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@H]1CC[N@H+]1CCOC1CCC1 308229208 409700796 /nfs/dbraw/zinc/70/07/96/409700796.db2.gz OAZSPLKBICQOEG-JTQLQIEISA-N 1 1 183.295 2.040 10 0 AEAEMO CC[C@@H]1CC[N@H+]1CCOC1CCC1 308229209 409701174 /nfs/dbraw/zinc/70/11/74/409701174.db2.gz OAZSPLKBICQOEG-SNVBAGLBSA-N 1 1 183.295 2.040 10 0 AEAEMO CCCCOCC[N@H+]1CC[C@H]1CC 308244160 409702804 /nfs/dbraw/zinc/70/28/04/409702804.db2.gz UGIUDSAHTMWOHE-LLVKDONJSA-N 1 1 185.311 2.287 10 0 AEAEMO CCCCOCC[N@H+]1CC[C@@H]1CC 308244161 409703752 /nfs/dbraw/zinc/70/37/52/409703752.db2.gz UGIUDSAHTMWOHE-NSHDSACASA-N 1 1 185.311 2.287 10 0 AEAEMO C[N@H+](CC1=CCSC1)CC1CC1 662268529 409706483 /nfs/dbraw/zinc/70/64/83/409706483.db2.gz CPGUEXBDJQLBCX-UHFFFAOYSA-N 1 1 183.320 2.001 10 0 AEAEMO C[N@H+](CC1=CCSC1)CC1CCC1 662265464 409706986 /nfs/dbraw/zinc/70/69/86/409706986.db2.gz BJLIXPKDJLLJTD-UHFFFAOYSA-N 1 1 197.347 2.392 10 0 AEAEMO CC(C)C[N@@H+](C)CC1=CCSC1 662269490 409707939 /nfs/dbraw/zinc/70/79/39/409707939.db2.gz DZBXOHNXIRQGFD-UHFFFAOYSA-N 1 1 185.336 2.247 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCO[C@H](C)C1 308391054 409714298 /nfs/dbraw/zinc/71/42/98/409714298.db2.gz ZNDZCLXHVQHBNA-GHMZBOCLSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCO[C@@H](C)C1 308391055 409714821 /nfs/dbraw/zinc/71/48/21/409714821.db2.gz ZNDZCLXHVQHBNA-MNOVXSKESA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCO[C@H](C)C1 308391059 409715122 /nfs/dbraw/zinc/71/51/22/409715122.db2.gz ZNDZCLXHVQHBNA-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO CCCCC[C@@H]1CCCC[N@H+]1CCN 662319443 409715394 /nfs/dbraw/zinc/71/53/94/409715394.db2.gz NJOWTNKQEOYLBY-GFCCVEGCSA-N 1 1 198.354 2.380 10 0 AEAEMO CCCCC[C@@H]1CCCCN1CC[NH3+] 662319443 409715411 /nfs/dbraw/zinc/71/54/11/409715411.db2.gz NJOWTNKQEOYLBY-GFCCVEGCSA-N 1 1 198.354 2.380 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCO[C@@H](C)C1 308391057 409715662 /nfs/dbraw/zinc/71/56/62/409715662.db2.gz ZNDZCLXHVQHBNA-QWRGUYRKSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC(CC)CCC[N@H+](C)CCN 662314656 409715927 /nfs/dbraw/zinc/71/59/27/409715927.db2.gz AIISTCFXVWBJHX-UHFFFAOYSA-N 1 1 186.343 2.093 10 0 AEAEMO CCC(CC)CCC[N@@H+](C)CCN 662314656 409715939 /nfs/dbraw/zinc/71/59/39/409715939.db2.gz AIISTCFXVWBJHX-UHFFFAOYSA-N 1 1 186.343 2.093 10 0 AEAEMO Cc1ccoc1C[N@@H+](C)CCCF 308354730 409716735 /nfs/dbraw/zinc/71/67/35/409716735.db2.gz AKBHSZUVKKPHSD-UHFFFAOYSA-N 1 1 185.242 2.379 10 0 AEAEMO CCCCC[C@H]1CCCC[N@H+]1CCN 662319444 409717655 /nfs/dbraw/zinc/71/76/55/409717655.db2.gz NJOWTNKQEOYLBY-LBPRGKRZSA-N 1 1 198.354 2.380 10 0 AEAEMO CCCCC[C@H]1CCCCN1CC[NH3+] 662319444 409717664 /nfs/dbraw/zinc/71/76/64/409717664.db2.gz NJOWTNKQEOYLBY-LBPRGKRZSA-N 1 1 198.354 2.380 10 0 AEAEMO CC[C@@H]1CC[N@H+]1CC[C@@H]1CCCO1 308409745 409718516 /nfs/dbraw/zinc/71/85/16/409718516.db2.gz NXEAHUZJSIPDCL-MNOVXSKESA-N 1 1 183.295 2.040 10 0 AEAEMO CC[C@@H]1CC[N@H+]1CC[C@H]1CCCO1 308409744 409718870 /nfs/dbraw/zinc/71/88/70/409718870.db2.gz NXEAHUZJSIPDCL-GHMZBOCLSA-N 1 1 183.295 2.040 10 0 AEAEMO COCCC[N@@H+](C)C[C@@H]1CC1(C)C 662343710 409720014 /nfs/dbraw/zinc/72/00/14/409720014.db2.gz CQAQEOOYWIFYSN-JTQLQIEISA-N 1 1 185.311 2.001 10 0 AEAEMO CC[C@H]1CC[N@H+]1CC[C@H]1CCCO1 308409747 409720234 /nfs/dbraw/zinc/72/02/34/409720234.db2.gz NXEAHUZJSIPDCL-WDEREUQCSA-N 1 1 183.295 2.040 10 0 AEAEMO CC[C@H]1CC[N@H+]1CC[C@@H]1CCCO1 308409746 409720575 /nfs/dbraw/zinc/72/05/75/409720575.db2.gz NXEAHUZJSIPDCL-QWRGUYRKSA-N 1 1 183.295 2.040 10 0 AEAEMO C[N@@H+](CCCF)C[C@H]1CC1(C)C 662345127 409720905 /nfs/dbraw/zinc/72/09/05/409720905.db2.gz GZXZGDBOUJTMCM-SECBINFHSA-N 1 1 173.275 2.324 10 0 AEAEMO COCCC[N@@H+](C)C[C@H]1CC1(C)C 662343712 409721129 /nfs/dbraw/zinc/72/11/29/409721129.db2.gz CQAQEOOYWIFYSN-SNVBAGLBSA-N 1 1 185.311 2.001 10 0 AEAEMO C[N@@H+](CCCF)C[C@@H]1CC1(C)C 662345128 409721241 /nfs/dbraw/zinc/72/12/41/409721241.db2.gz GZXZGDBOUJTMCM-VIFPVBQESA-N 1 1 173.275 2.324 10 0 AEAEMO CCOCCC[N@@H+](C)C[C@H]1CC1(C)C 662344296 409721298 /nfs/dbraw/zinc/72/12/98/409721298.db2.gz AEMXOYWUZOSGKU-LLVKDONJSA-N 1 1 199.338 2.391 10 0 AEAEMO CCOCCC[N@@H+](C)C[C@@H]1CC1(C)C 662344299 409721563 /nfs/dbraw/zinc/72/15/63/409721563.db2.gz AEMXOYWUZOSGKU-NSHDSACASA-N 1 1 199.338 2.391 10 0 AEAEMO CCCC[N@@H+](C(C)C)[C@@H]1CCOC1 308427527 409722050 /nfs/dbraw/zinc/72/20/50/409722050.db2.gz RVDWCDIDZDAONG-LLVKDONJSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@H](O)C[N@H+]1C[C@@H](CC)CC[C@H]1C 308473195 409722280 /nfs/dbraw/zinc/72/22/80/409722280.db2.gz KAQULTCXIXPLBO-WOPDTQHZSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@](C)(O)C[N@@H+](C)C[C@@H]1CC1(C)C 662345832 409722731 /nfs/dbraw/zinc/72/27/31/409722731.db2.gz MICDBUNMESRGLT-CMPLNLGQSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@](C)(O)C[N@@H+](C)C[C@H]1CC1(C)C 662345835 409722901 /nfs/dbraw/zinc/72/29/01/409722901.db2.gz MICDBUNMESRGLT-ZYHUDNBSSA-N 1 1 199.338 2.125 10 0 AEAEMO CCCC[N@@H+](C(C)C)[C@H]1CCOC1 308427529 409722879 /nfs/dbraw/zinc/72/28/79/409722879.db2.gz RVDWCDIDZDAONG-NSHDSACASA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@@H+](CC[C@H](C)O)C1 308456771 409722931 /nfs/dbraw/zinc/72/29/31/409722931.db2.gz FAHAIWGMMLCKDF-SDDRHHMPSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@@H+](CCCCO)C1 308473269 409723263 /nfs/dbraw/zinc/72/32/63/409723263.db2.gz KEFGGHFLPNIINQ-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@@H+](CC[C@@H](C)O)C1 308456770 409723435 /nfs/dbraw/zinc/72/34/35/409723435.db2.gz FAHAIWGMMLCKDF-QJPTWQEYSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@](C)(O)C[N@@H+](C)C[C@H]1CC1(C)C 662345834 409723982 /nfs/dbraw/zinc/72/39/82/409723982.db2.gz MICDBUNMESRGLT-PWSUYJOCSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@](C)(O)C[N@@H+](C)C[C@@H]1CC1(C)C 662345833 409724982 /nfs/dbraw/zinc/72/49/82/409724982.db2.gz MICDBUNMESRGLT-JQWIXIFHSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@@H+](C[C@@H](C)CO)C1 308495637 409725985 /nfs/dbraw/zinc/72/59/85/409725985.db2.gz SRTMNXZXFLEEAO-GRYCIOLGSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)(C)OCC[N@H+]1CC2CC1(C)C2 662381935 409726107 /nfs/dbraw/zinc/72/61/07/409726107.db2.gz KAFBIKSILGNHEM-UHFFFAOYSA-N 1 1 197.322 2.286 10 0 AEAEMO CC12CC(C[N@H+]1CCCCF)C2 662385109 409726233 /nfs/dbraw/zinc/72/62/33/409726233.db2.gz JMTPGRIYCCSFAV-UHFFFAOYSA-N 1 1 171.259 2.220 10 0 AEAEMO CCCCOCC[N@H+]1CC2CC1(C)C2 662381889 409726314 /nfs/dbraw/zinc/72/63/14/409726314.db2.gz JDGXXFUQTDRLII-UHFFFAOYSA-N 1 1 197.322 2.287 10 0 AEAEMO CC12CC(C[N@H+]1Cc1cncs1)C2 662386090 409726334 /nfs/dbraw/zinc/72/63/34/409726334.db2.gz SHAUHJQDCQWUPE-UHFFFAOYSA-N 1 1 194.303 2.127 10 0 AEAEMO C[C@H]1CC[C@@H](C[N@H+]2CC3CC2(C)C3)O1 662385297 409726484 /nfs/dbraw/zinc/72/64/84/409726484.db2.gz RHINIYNOXRYWKM-VOBJUBJWSA-N 1 1 195.306 2.038 10 0 AEAEMO CC12CC(C[N@H+]1CC[C@H]1CCCO1)C2 662385013 409726495 /nfs/dbraw/zinc/72/64/95/409726495.db2.gz FPOUZRRWAZUGDM-MOENNCHZSA-N 1 1 195.306 2.040 10 0 AEAEMO COC(C)(C)CC[N@H+]1CC2CC1(C)C2 662385498 409726546 /nfs/dbraw/zinc/72/65/46/409726546.db2.gz USQSBCFLSSOSGY-UHFFFAOYSA-N 1 1 197.322 2.286 10 0 AEAEMO CC12CC(C[N@H+]1C[C@@H]1CCCCO1)C2 662381082 409726674 /nfs/dbraw/zinc/72/66/74/409726674.db2.gz UCWHUYQGJPVVMB-CXQJBGSLSA-N 1 1 195.306 2.040 10 0 AEAEMO CC12CC(C[N@H+]1CCC(F)(F)F)C2 662382653 409726791 /nfs/dbraw/zinc/72/67/91/409726791.db2.gz AUTFTPJWEOYFCJ-UHFFFAOYSA-N 1 1 193.212 2.423 10 0 AEAEMO CC12CC(C[N@H+]1Cc1cccnc1)C2 662381891 409727054 /nfs/dbraw/zinc/72/70/54/409727054.db2.gz JEHXMQYLRHSYDF-UHFFFAOYSA-N 1 1 188.274 2.066 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@@H+](C[C@H](C)CO)C1 308495640 409727070 /nfs/dbraw/zinc/72/70/70/409727070.db2.gz SRTMNXZXFLEEAO-SDDRHHMPSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@@H]1CC[C@@H](C[N@H+]2CC3CC2(C)C3)O1 662385298 409727188 /nfs/dbraw/zinc/72/71/88/409727188.db2.gz RHINIYNOXRYWKM-ZYGVAYEYSA-N 1 1 195.306 2.038 10 0 AEAEMO CC12CC(C[N@H+]1CC[C@@H]1CCCO1)C2 662385012 409727333 /nfs/dbraw/zinc/72/73/33/409727333.db2.gz FPOUZRRWAZUGDM-CXQJBGSLSA-N 1 1 195.306 2.040 10 0 AEAEMO CC12CC(C[N@H+]1Cc1ccccn1)C2 662381963 409727352 /nfs/dbraw/zinc/72/73/52/409727352.db2.gz LCWPMLNUBBQPJB-UHFFFAOYSA-N 1 1 188.274 2.066 10 0 AEAEMO COCCCCC[N@H+]1CC2CC1(C)C2 662382836 409727382 /nfs/dbraw/zinc/72/73/82/409727382.db2.gz DHUVGISRRFSYSR-UHFFFAOYSA-N 1 1 197.322 2.287 10 0 AEAEMO C[C@H]1CC[C@H](C[N@H+]2CC3CC2(C)C3)O1 662385296 409727773 /nfs/dbraw/zinc/72/77/73/409727773.db2.gz RHINIYNOXRYWKM-UZEXVOJHSA-N 1 1 195.306 2.038 10 0 AEAEMO CC12CC(C[N@@H+]1Cc1nccs1)C2 662385082 409728035 /nfs/dbraw/zinc/72/80/35/409728035.db2.gz ILCQVYCEKQQBMA-UHFFFAOYSA-N 1 1 194.303 2.127 10 0 AEAEMO CC12CC(C[N@H+]1Cc1nccs1)C2 662385082 409728042 /nfs/dbraw/zinc/72/80/42/409728042.db2.gz ILCQVYCEKQQBMA-UHFFFAOYSA-N 1 1 194.303 2.127 10 0 AEAEMO CC(C)=CC[N@H+]1CC2CC1(C)C2 662381074 409728505 /nfs/dbraw/zinc/72/85/05/409728505.db2.gz OKYALNKIQKJIOM-UHFFFAOYSA-N 1 1 165.280 2.437 10 0 AEAEMO CC(C)C[N@H+]1CC2CC1(C)C2 662381577 409728605 /nfs/dbraw/zinc/72/86/05/409728605.db2.gz WXQVDLZSASFJDF-UHFFFAOYSA-N 1 1 153.269 2.127 10 0 AEAEMO CC12CC(C[N@H+]1C[C@H]1CCCCO1)C2 662381083 409728660 /nfs/dbraw/zinc/72/86/60/409728660.db2.gz UCWHUYQGJPVVMB-MOENNCHZSA-N 1 1 195.306 2.040 10 0 AEAEMO CCCC[N@H+]1CC2CC1(C)C2 662381955 409728756 /nfs/dbraw/zinc/72/87/56/409728756.db2.gz KRRJKSTULDYZIX-UHFFFAOYSA-N 1 1 153.269 2.271 10 0 AEAEMO CC(C)OCCC[N@H+]1CC2CC1(C)C2 662384231 409728952 /nfs/dbraw/zinc/72/89/52/409728952.db2.gz VMCNHSGXGJQQLC-UHFFFAOYSA-N 1 1 197.322 2.286 10 0 AEAEMO CC12CC(C[N@H+]1CC1CC=CC1)C2 662385969 409728982 /nfs/dbraw/zinc/72/89/82/409728982.db2.gz NAIDQMSLRGWNBW-UHFFFAOYSA-N 1 1 177.291 2.437 10 0 AEAEMO CC12CC(C[N@H+]1CC1CCC1)C2 662382649 409729094 /nfs/dbraw/zinc/72/90/94/409729094.db2.gz AQMNNKVKKSBBIE-UHFFFAOYSA-N 1 1 165.280 2.271 10 0 AEAEMO CC12CC(C[N@H+]1C1CCCC1)C2 662385103 409729133 /nfs/dbraw/zinc/72/91/33/409729133.db2.gz JBRYRYHTNJPLMJ-UHFFFAOYSA-N 1 1 165.280 2.413 10 0 AEAEMO CC12CC(C[N@H+]1CCC1CC1)C2 662382717 409729286 /nfs/dbraw/zinc/72/92/86/409729286.db2.gz BQTLNOOLWDWGCK-UHFFFAOYSA-N 1 1 165.280 2.271 10 0 AEAEMO C[C@@H]1CC[C@H](C[N@H+]2CC3CC2(C)C3)O1 662385295 409729320 /nfs/dbraw/zinc/72/93/20/409729320.db2.gz RHINIYNOXRYWKM-QTAHKJALSA-N 1 1 195.306 2.038 10 0 AEAEMO CC12CC(C[N@H+]1CCOC1CCC1)C2 662385259 409729396 /nfs/dbraw/zinc/72/93/96/409729396.db2.gz PYJSWPHXGLVDCM-UHFFFAOYSA-N 1 1 195.306 2.040 10 0 AEAEMO CC(C)COCC[N@H+]1CC2CC1(C)C2 662385178 409729459 /nfs/dbraw/zinc/72/94/59/409729459.db2.gz MHQUBJYWTNRVOY-UHFFFAOYSA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@@H](C[N@H+]1CCC[C@H]1CN)C(C)(C)C 308520530 409729530 /nfs/dbraw/zinc/72/95/30/409729530.db2.gz HLCPRZCCRQUOOH-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@H](C[N@H+]1CCC[C@H]1CN)C(C)(C)C 308520525 409731441 /nfs/dbraw/zinc/73/14/41/409731441.db2.gz HLCPRZCCRQUOOH-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC[N@@H+](C)C[C@@H]1CCC[C@@H](O)C1 308580895 409736795 /nfs/dbraw/zinc/73/67/95/409736795.db2.gz PDGXKBWCLYHOGY-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CCCC[N@@H+](C)C[C@@H]1CCC[C@H](O)C1 308580892 409737045 /nfs/dbraw/zinc/73/70/45/409737045.db2.gz PDGXKBWCLYHOGY-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CCCC[N@@H+](C)C[C@H]1CCC[C@@H](O)C1 308580893 409737577 /nfs/dbraw/zinc/73/75/77/409737577.db2.gz PDGXKBWCLYHOGY-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CCCC[N@@H+](C)C[C@H]1CCC[C@H](O)C1 308580894 409737693 /nfs/dbraw/zinc/73/76/93/409737693.db2.gz PDGXKBWCLYHOGY-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CC(C)(C)C(C)(C)[NH2+]Cc1ccn[nH]1 308592684 409741213 /nfs/dbraw/zinc/74/12/13/409741213.db2.gz WKYRXDKNVZCTRG-UHFFFAOYSA-N 1 1 195.310 2.324 10 0 AEAEMO C[C@H]([NH2+][C@H](C)[C@H](C)N)C1CCCCC1 308637360 409742947 /nfs/dbraw/zinc/74/29/47/409742947.db2.gz BLOCXECDQSJXJN-AXFHLTTASA-N 1 1 198.354 2.281 10 0 AEAEMO C[C@H](N)[C@@H](C)[NH2+][C@H](C)C1CCCCC1 308637368 409742511 /nfs/dbraw/zinc/74/25/11/409742511.db2.gz BLOCXECDQSJXJN-HBNTYKKESA-N 1 1 198.354 2.281 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+][C@H](C)C1CCCCC1 308637364 409742526 /nfs/dbraw/zinc/74/25/26/409742526.db2.gz BLOCXECDQSJXJN-GARJFASQSA-N 1 1 198.354 2.281 10 0 AEAEMO C[C@H]([NH2+][C@@H](C)[C@H](C)N)C1CCCCC1 308637362 409745176 /nfs/dbraw/zinc/74/51/76/409745176.db2.gz BLOCXECDQSJXJN-DCAQKATOSA-N 1 1 198.354 2.281 10 0 AEAEMO CCC[N@@H+](CC(C)C)[C@@H]1CCOC1 662599050 409746541 /nfs/dbraw/zinc/74/65/41/409746541.db2.gz SHRNIKRARDWRBU-LLVKDONJSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[N@@H+](CC(C)C)[C@H]1CCOC1 662599051 409747171 /nfs/dbraw/zinc/74/71/71/409747171.db2.gz SHRNIKRARDWRBU-NSHDSACASA-N 1 1 185.311 2.143 10 0 AEAEMO Cc1[nH]ncc1[C@H](C)[NH2+]CCCCF 308687211 409749298 /nfs/dbraw/zinc/74/92/98/409749298.db2.gz ZYWQQVIPHDLJHW-QMMMGPOBSA-N 1 1 199.273 2.118 10 0 AEAEMO Cc1[nH]ncc1[C@@H](C)[NH2+]CCCCF 308687209 409751673 /nfs/dbraw/zinc/75/16/73/409751673.db2.gz ZYWQQVIPHDLJHW-MRVPVSSYSA-N 1 1 199.273 2.118 10 0 AEAEMO CCC(C)(C)CC[N@H+]1CCC[C@@H](N)C1 309158688 409771304 /nfs/dbraw/zinc/77/13/04/409771304.db2.gz YCONBPFDVYYTDN-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC(C)(C)CCN1CCC[C@@H]([NH3+])C1 309158688 409771310 /nfs/dbraw/zinc/77/13/10/409771310.db2.gz YCONBPFDVYYTDN-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H]1CC[C@@H](C)[N@@H+](C[C@H](O)CC)C1 312915202 409774143 /nfs/dbraw/zinc/77/41/43/409774143.db2.gz KAQULTCXIXPLBO-GRYCIOLGSA-N 1 1 199.338 2.268 10 0 AEAEMO CCc1[nH+]ccn1C[C@H]1C[C@@H]2C[C@@H]2C1 663249543 409774590 /nfs/dbraw/zinc/77/45/90/409774590.db2.gz ZNUYHDMDDVFCMV-JGPRNRPPSA-N 1 1 190.290 2.492 10 0 AEAEMO CC[C@H](C)Nc1cc(CO)cc(C)[nH+]1 663311192 409776460 /nfs/dbraw/zinc/77/64/60/409776460.db2.gz IFNJLULMFCNLNK-QMMMGPOBSA-N 1 1 194.278 2.093 10 0 AEAEMO CC[C@@H](C)Nc1cc(CO)cc(C)[nH+]1 663311190 409777979 /nfs/dbraw/zinc/77/79/79/409777979.db2.gz IFNJLULMFCNLNK-MRVPVSSYSA-N 1 1 194.278 2.093 10 0 AEAEMO CCCCC[N@H+]1C[C@@H](O)CC[C@@H]1C 378741995 409798368 /nfs/dbraw/zinc/79/83/68/409798368.db2.gz PRNIYWLKRVUGDA-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCC[C@H](O)CC1 378771559 409800443 /nfs/dbraw/zinc/80/04/43/409800443.db2.gz FZFVBTNAHKLTOH-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCC[C@@H](O)CC1 378771562 409800550 /nfs/dbraw/zinc/80/05/50/409800550.db2.gz FZFVBTNAHKLTOH-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCC[C@@H](O)CC1 378771560 409800786 /nfs/dbraw/zinc/80/07/86/409800786.db2.gz FZFVBTNAHKLTOH-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCC[C@H](O)CC1 378771561 409800921 /nfs/dbraw/zinc/80/09/21/409800921.db2.gz FZFVBTNAHKLTOH-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[N@@H+](C)Cc1conc1CC 378851367 409804158 /nfs/dbraw/zinc/80/41/58/409804158.db2.gz FTYGTJPEOPEXTQ-UHFFFAOYSA-N 1 1 182.267 2.079 10 0 AEAEMO COC[C@H]1CC[N@H+]1CCCC(C)C 378848870 409804277 /nfs/dbraw/zinc/80/42/77/409804277.db2.gz CHXJYEDTZAZTBS-LLVKDONJSA-N 1 1 185.311 2.143 10 0 AEAEMO COC[C@@H]1CC[N@H+]1CCCC(C)C 378848871 409805583 /nfs/dbraw/zinc/80/55/83/409805583.db2.gz CHXJYEDTZAZTBS-NSHDSACASA-N 1 1 185.311 2.143 10 0 AEAEMO COC[C@H]1CC[N@H+]1CCC(C)(C)C 378864010 409808296 /nfs/dbraw/zinc/80/82/96/409808296.db2.gz WQYYQRJPHCLSID-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO CC(C)OCCC[N@H+]1C[C@@H](C)[C@@H]1C 378871354 409811797 /nfs/dbraw/zinc/81/17/97/409811797.db2.gz OKOYMFYFJXUNSS-MNOVXSKESA-N 1 1 185.311 2.142 10 0 AEAEMO COC[C@@H]1CC[N@H+]1CCC(C)(C)C 378864009 409808739 /nfs/dbraw/zinc/80/87/39/409808739.db2.gz WQYYQRJPHCLSID-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO C[C@@H]1C[N@@H+](CCCCCF)[C@@H]1C 378870875 409811960 /nfs/dbraw/zinc/81/19/60/409811960.db2.gz NHOWSNTXMNDPFI-NXEZZACHSA-N 1 1 173.275 2.466 10 0 AEAEMO CC(C)OCCC[N@H+]1C[C@@H](C)[C@H]1C 378871353 409812397 /nfs/dbraw/zinc/81/23/97/409812397.db2.gz OKOYMFYFJXUNSS-GHMZBOCLSA-N 1 1 185.311 2.142 10 0 AEAEMO CC(C)OCCC[N@H+]1C[C@H](C)[C@H]1C 378871356 409812450 /nfs/dbraw/zinc/81/24/50/409812450.db2.gz OKOYMFYFJXUNSS-WDEREUQCSA-N 1 1 185.311 2.142 10 0 AEAEMO CC(C)OCCC[N@H+]1C[C@H](C)[C@@H]1C 378871355 409813536 /nfs/dbraw/zinc/81/35/36/409813536.db2.gz OKOYMFYFJXUNSS-QWRGUYRKSA-N 1 1 185.311 2.142 10 0 AEAEMO C[C@H]1C[N@@H+](CCCCCF)[C@@H]1C 378870877 409813592 /nfs/dbraw/zinc/81/35/92/409813592.db2.gz NHOWSNTXMNDPFI-VHSXEESVSA-N 1 1 173.275 2.466 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1CCCCCF 378870878 409813605 /nfs/dbraw/zinc/81/36/05/409813605.db2.gz NHOWSNTXMNDPFI-ZJUUUORDSA-N 1 1 173.275 2.466 10 0 AEAEMO C[C@H]1C[N@@H+](CCCCCF)[C@H]1C 378870876 409813629 /nfs/dbraw/zinc/81/36/29/409813629.db2.gz NHOWSNTXMNDPFI-UWVGGRQHSA-N 1 1 173.275 2.466 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)[C@@H](CC)CO 379158014 409818448 /nfs/dbraw/zinc/81/84/48/409818448.db2.gz KXVVLWVCAITCCR-QWRGUYRKSA-N 1 1 187.327 2.125 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)[C@@H](CC)CO 379158013 409818852 /nfs/dbraw/zinc/81/88/52/409818852.db2.gz KXVVLWVCAITCCR-MNOVXSKESA-N 1 1 187.327 2.125 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)[C@H](CC)CO 379158023 409819956 /nfs/dbraw/zinc/81/99/56/409819956.db2.gz KXVVLWVCAITCCR-WDEREUQCSA-N 1 1 187.327 2.125 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)[C@H](CC)CO 379158009 409820248 /nfs/dbraw/zinc/82/02/48/409820248.db2.gz KXVVLWVCAITCCR-GHMZBOCLSA-N 1 1 187.327 2.125 10 0 AEAEMO Cc1cc[nH+]c(N2CC3CC2(C)C3)c1 664694053 409831267 /nfs/dbraw/zinc/83/12/67/409831267.db2.gz QPFHHZBAXSZZRB-UHFFFAOYSA-N 1 1 188.274 2.379 10 0 AEAEMO Cc1cccc(N2CC3CC2(C)C3)[nH+]1 664693055 409831821 /nfs/dbraw/zinc/83/18/21/409831821.db2.gz HHJQIQQLKLBOBK-UHFFFAOYSA-N 1 1 188.274 2.379 10 0 AEAEMO CC[N@@H+](CC=C(C)C)[C@H]1CCOC1 379363000 409832981 /nfs/dbraw/zinc/83/29/81/409832981.db2.gz IYGYWIQQYSDWGI-NSHDSACASA-N 1 1 183.295 2.063 10 0 AEAEMO CCCC[N@H+]1CCO[C@H](C2CCC2)C1 664827811 409833391 /nfs/dbraw/zinc/83/33/91/409833391.db2.gz ONFVJUVEIAUSMS-LBPRGKRZSA-N 1 1 197.322 2.287 10 0 AEAEMO CC[C@@H]1CC[N@H+]1CCC(C)(C)OC 379363215 409833396 /nfs/dbraw/zinc/83/33/96/409833396.db2.gz JJSBTBJHHIKXHK-SNVBAGLBSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[N@@H+](CC=C(C)C)[C@@H]1CCOC1 379362999 409833528 /nfs/dbraw/zinc/83/35/28/409833528.db2.gz IYGYWIQQYSDWGI-LLVKDONJSA-N 1 1 183.295 2.063 10 0 AEAEMO CC[C@@H]1CC[N@H+]1CC(C)(C)COC 379353577 409833580 /nfs/dbraw/zinc/83/35/80/409833580.db2.gz FWNDFQIHJKSRMR-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@H]1CC[N@H+]1CC(C)(C)COC 379353576 409833730 /nfs/dbraw/zinc/83/37/30/409833730.db2.gz FWNDFQIHJKSRMR-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@H]1CC[N@H+]1CCC(C)(C)OC 379363213 409833770 /nfs/dbraw/zinc/83/37/70/409833770.db2.gz JJSBTBJHHIKXHK-JTQLQIEISA-N 1 1 185.311 2.286 10 0 AEAEMO CC(C)C[N@H+]1CCO[C@H](C2CCC2)C1 664827164 409834545 /nfs/dbraw/zinc/83/45/45/409834545.db2.gz XIYNWBZJVQCNLG-LBPRGKRZSA-N 1 1 197.322 2.143 10 0 AEAEMO CC(C)C[N@H+]1CCO[C@@H](C2CCC2)C1 664827163 409835229 /nfs/dbraw/zinc/83/52/29/409835229.db2.gz XIYNWBZJVQCNLG-GFCCVEGCSA-N 1 1 197.322 2.143 10 0 AEAEMO CCCC[N@H+]1CCO[C@@H](C2CCC2)C1 664827810 409835337 /nfs/dbraw/zinc/83/53/37/409835337.db2.gz ONFVJUVEIAUSMS-GFCCVEGCSA-N 1 1 197.322 2.287 10 0 AEAEMO CC[N@@H+](CCC(C)C)C[C@H](C)OC 379380318 409837658 /nfs/dbraw/zinc/83/76/58/409837658.db2.gz DQHVIZPKGWNXLB-NSHDSACASA-N 1 1 187.327 2.389 10 0 AEAEMO CC[C@@H]1CC[N@H+]1CCCOC(C)C 379384001 409837931 /nfs/dbraw/zinc/83/79/31/409837931.db2.gz MLAYHHOMWCQIMG-LLVKDONJSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@H]1CC[N@H+]1CCCOC(C)C 379384002 409838060 /nfs/dbraw/zinc/83/80/60/409838060.db2.gz MLAYHHOMWCQIMG-NSHDSACASA-N 1 1 185.311 2.286 10 0 AEAEMO Cc1ccoc1C[NH2+]CC1(F)CC1 379384401 409838743 /nfs/dbraw/zinc/83/87/43/409838743.db2.gz NZMSSIGBBXNJIP-UHFFFAOYSA-N 1 1 183.226 2.180 10 0 AEAEMO CC[N@@H+](CCC(C)C)C[C@@H](C)OC 379380316 409838784 /nfs/dbraw/zinc/83/87/84/409838784.db2.gz DQHVIZPKGWNXLB-LLVKDONJSA-N 1 1 187.327 2.389 10 0 AEAEMO COCC1(C[N@@H+](C)C(C)C)CCC1 379389722 409840734 /nfs/dbraw/zinc/84/07/34/409840734.db2.gz MDWLAJXHBGTCSM-UHFFFAOYSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCN[C@@H](C)[C@@H]1C 379425167 409846773 /nfs/dbraw/zinc/84/67/73/409846773.db2.gz DBCSFPCCJDBHPY-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)CN1CC[NH2+][C@@H](C)[C@@H]1C 379425167 409846778 /nfs/dbraw/zinc/84/67/78/409846778.db2.gz DBCSFPCCJDBHPY-SRVKXCTJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCN[C@H](C)[C@H]1C 379425165 409847112 /nfs/dbraw/zinc/84/71/12/409847112.db2.gz DBCSFPCCJDBHPY-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)CN1CC[NH2+][C@H](C)[C@H]1C 379425165 409847119 /nfs/dbraw/zinc/84/71/19/409847119.db2.gz DBCSFPCCJDBHPY-QJPTWQEYSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCN[C@@H](C)[C@H]1C 379425166 409847600 /nfs/dbraw/zinc/84/76/00/409847600.db2.gz DBCSFPCCJDBHPY-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)CN1CC[NH2+][C@@H](C)[C@H]1C 379425166 409847604 /nfs/dbraw/zinc/84/76/04/409847604.db2.gz DBCSFPCCJDBHPY-SDDRHHMPSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@](C)(O)C[N@H+]1CC(C)(C)C[C@H]1C 665221928 409852070 /nfs/dbraw/zinc/85/20/70/409852070.db2.gz UPWCSAVKCYEBJD-PWSUYJOCSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@](C)(O)C[N@H+]1CC(C)(C)C[C@@H]1C 665221927 409852191 /nfs/dbraw/zinc/85/21/91/409852191.db2.gz UPWCSAVKCYEBJD-JQWIXIFHSA-N 1 1 199.338 2.268 10 0 AEAEMO C[N@@H+](CC(C)(C)CN)CC1(C)CCC1 379607329 409857399 /nfs/dbraw/zinc/85/73/99/409857399.db2.gz RCTWCLGMCKPLOU-UHFFFAOYSA-N 1 1 198.354 2.093 10 0 AEAEMO CC[C@@](C)(O)C[N@H+]1CC(C)(C)C[C@@H]1C 665221926 409853467 /nfs/dbraw/zinc/85/34/67/409853467.db2.gz UPWCSAVKCYEBJD-CMPLNLGQSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@](C)(O)C[N@H+]1CC(C)(C)C[C@H]1C 665221929 409853618 /nfs/dbraw/zinc/85/36/18/409853618.db2.gz UPWCSAVKCYEBJD-ZYHUDNBSSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@@H+](C[C@@H]1CCC[C@@H](O)C1)C1CC1 379603123 409855832 /nfs/dbraw/zinc/85/58/32/409855832.db2.gz NKMOYWLBHXEJFN-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[N@@H+](C[C@@H]1CCC[C@H](O)C1)C1CC1 379603120 409856242 /nfs/dbraw/zinc/85/62/42/409856242.db2.gz NKMOYWLBHXEJFN-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[N@@H+](C[C@H]1CCC[C@H](O)C1)C1CC1 379603114 409856556 /nfs/dbraw/zinc/85/65/56/409856556.db2.gz NKMOYWLBHXEJFN-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[N@@H+](C[C@H]1CCC[C@@H](O)C1)C1CC1 379603113 409857200 /nfs/dbraw/zinc/85/72/00/409857200.db2.gz NKMOYWLBHXEJFN-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO C[N@@H+](CC(C)(C)C[NH3+])CC1(C)CCC1 379607329 409857385 /nfs/dbraw/zinc/85/73/85/409857385.db2.gz RCTWCLGMCKPLOU-UHFFFAOYSA-N 1 1 198.354 2.093 10 0 AEAEMO C[N@H+](CC(C)(C)CN)CC1(C)CCC1 379607329 409857391 /nfs/dbraw/zinc/85/73/91/409857391.db2.gz RCTWCLGMCKPLOU-UHFFFAOYSA-N 1 1 198.354 2.093 10 0 AEAEMO C[C@H]([NH2+]CC1(N)CCCC1)C(C)(C)C 665248894 409859652 /nfs/dbraw/zinc/85/96/52/409859652.db2.gz FIQSMOGBJAUNMV-JTQLQIEISA-N 1 1 198.354 2.282 10 0 AEAEMO CC[N@@H+](CCCCO)C1CC(C)(C)C1 665249139 409860375 /nfs/dbraw/zinc/86/03/75/409860375.db2.gz OJDVQASPIUEDML-UHFFFAOYSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[N@@H+](C[C@H](C)CO)C1CC(C)(C)C1 665249868 409860837 /nfs/dbraw/zinc/86/08/37/409860837.db2.gz XPBAJBSSAKEPTG-JTQLQIEISA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](O)C[N@@H+](CC)C1CC(C)(C)C1 665249111 409860987 /nfs/dbraw/zinc/86/09/87/409860987.db2.gz DVLWKQLSTGLHDT-NSHDSACASA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H]([NH2+]CC1(N)CCCC1)C(C)(C)C 665248895 409861247 /nfs/dbraw/zinc/86/12/47/409861247.db2.gz FIQSMOGBJAUNMV-SNVBAGLBSA-N 1 1 198.354 2.282 10 0 AEAEMO CC[N@@H+](C[C@@H](C)CO)C1CC(C)(C)C1 665249869 409861388 /nfs/dbraw/zinc/86/13/88/409861388.db2.gz XPBAJBSSAKEPTG-SNVBAGLBSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[N@@H+](CC[C@@H](C)O)C1CC(C)(C)C1 665249837 409861406 /nfs/dbraw/zinc/86/14/06/409861406.db2.gz BNOINSHFBJYVKQ-SNVBAGLBSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@@H+](CC[C@H](C)O)C1CC(C)(C)C1 665249836 409861587 /nfs/dbraw/zinc/86/15/87/409861587.db2.gz BNOINSHFBJYVKQ-JTQLQIEISA-N 1 1 199.338 2.268 10 0 AEAEMO CC[N@@H+](CCOC)C1CC(C)(C)C1 665248637 409862515 /nfs/dbraw/zinc/86/25/15/409862515.db2.gz JVCIXUFOFUBAQW-UHFFFAOYSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@@H](O)C[N@@H+](CC)C1CC(C)(C)C1 665249110 409863003 /nfs/dbraw/zinc/86/30/03/409863003.db2.gz DVLWKQLSTGLHDT-LLVKDONJSA-N 1 1 199.338 2.268 10 0 AEAEMO CCOCC[N@H+]1CC[C@@H](C2CCC2)C1 665286061 409869704 /nfs/dbraw/zinc/86/97/04/409869704.db2.gz DFRIMZKIALNACC-GFCCVEGCSA-N 1 1 197.322 2.145 10 0 AEAEMO CCOCC[N@H+]1CC[C@H](C2CCC2)C1 665286062 409870764 /nfs/dbraw/zinc/87/07/64/409870764.db2.gz DFRIMZKIALNACC-LBPRGKRZSA-N 1 1 197.322 2.145 10 0 AEAEMO CCC(C)(C)CC[N@H+]1CCC[C@H]1CN 380232291 409875282 /nfs/dbraw/zinc/87/52/82/409875282.db2.gz LRLORJMLUSISBK-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CNC[C@H](C)[NH2+][C@@H]1CC[C@H]1C(C)(C)C 665298403 409875900 /nfs/dbraw/zinc/87/59/00/409875900.db2.gz VOXFLVLRBGYANU-HBNTYKKESA-N 1 1 198.354 2.009 10 0 AEAEMO CNC[C@H](C)[NH2+][C@@H]1CC[C@@H]1C(C)(C)C 665298402 409876608 /nfs/dbraw/zinc/87/66/08/409876608.db2.gz VOXFLVLRBGYANU-GARJFASQSA-N 1 1 198.354 2.009 10 0 AEAEMO CNC[C@H](C)[NH2+][C@H]1CC[C@@H]1C(C)(C)C 665298401 409876717 /nfs/dbraw/zinc/87/67/17/409876717.db2.gz VOXFLVLRBGYANU-DCAQKATOSA-N 1 1 198.354 2.009 10 0 AEAEMO CNC[C@H](C)[NH2+][C@H]1CC[C@H]1C(C)(C)C 665298400 409877029 /nfs/dbraw/zinc/87/70/29/409877029.db2.gz VOXFLVLRBGYANU-AXFHLTTASA-N 1 1 198.354 2.009 10 0 AEAEMO CCC(=O)CCC[N@H+]1CC[C@H](C)[C@H]1C 380713181 409879083 /nfs/dbraw/zinc/87/90/83/409879083.db2.gz CXGPQJXKTYFNGQ-WDEREUQCSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(=O)CCC[N@H+]1CC[C@H](C)[C@@H]1C 380713179 409879292 /nfs/dbraw/zinc/87/92/92/409879292.db2.gz CXGPQJXKTYFNGQ-QWRGUYRKSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(=O)CCC[N@H+]1CC[C@@H](C)[C@H]1C 380713176 409879912 /nfs/dbraw/zinc/87/99/12/409879912.db2.gz CXGPQJXKTYFNGQ-GHMZBOCLSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(=O)CCC[N@H+]1CC[C@@H](C)[C@@H]1C 380713178 409879984 /nfs/dbraw/zinc/87/99/84/409879984.db2.gz CXGPQJXKTYFNGQ-MNOVXSKESA-N 1 1 197.322 2.476 10 0 AEAEMO CC(C)C[C@H](N)C[N@@H+](C)C(C)(C)C 381932163 409883720 /nfs/dbraw/zinc/88/37/20/409883720.db2.gz QNYIHNYCTIUWEB-JTQLQIEISA-N 1 1 186.343 2.090 10 0 AEAEMO CC(C)C[C@H]([NH3+])CN(C)C(C)(C)C 381932163 409883727 /nfs/dbraw/zinc/88/37/27/409883727.db2.gz QNYIHNYCTIUWEB-JTQLQIEISA-N 1 1 186.343 2.090 10 0 AEAEMO Cc1cc([C@H](C)NCCC[NH3+])cs1 381705669 409885145 /nfs/dbraw/zinc/88/51/45/409885145.db2.gz HTIURTNNMZLDNM-VIFPVBQESA-N 1 1 198.335 2.056 10 0 AEAEMO Cc1cc([C@@H](C)NCCC[NH3+])cs1 381705665 409885539 /nfs/dbraw/zinc/88/55/39/409885539.db2.gz HTIURTNNMZLDNM-SECBINFHSA-N 1 1 198.335 2.056 10 0 AEAEMO CC(C)C[C@@H](N)C[N@@H+](C)C(C)(C)C 381932164 409886108 /nfs/dbraw/zinc/88/61/08/409886108.db2.gz QNYIHNYCTIUWEB-SNVBAGLBSA-N 1 1 186.343 2.090 10 0 AEAEMO CC(C)C[C@@H]([NH3+])CN(C)C(C)(C)C 381932164 409886113 /nfs/dbraw/zinc/88/61/13/409886113.db2.gz QNYIHNYCTIUWEB-SNVBAGLBSA-N 1 1 186.343 2.090 10 0 AEAEMO Cc1[nH]ncc1[C@H](C)[NH2+]CC[C@H](C)F 382372187 409903422 /nfs/dbraw/zinc/90/34/22/409903422.db2.gz GVNDHRDHWLOSKG-YUMQZZPRSA-N 1 1 199.273 2.117 10 0 AEAEMO CCCCOCC[N@H+]1C[C@H](C)[C@@H]1C 382100262 409889813 /nfs/dbraw/zinc/88/98/13/409889813.db2.gz GJZYSZNOGOOBGL-QWRGUYRKSA-N 1 1 185.311 2.143 10 0 AEAEMO CCCCOCC[N@H+]1C[C@@H](C)[C@H]1C 382100251 409890610 /nfs/dbraw/zinc/89/06/10/409890610.db2.gz GJZYSZNOGOOBGL-GHMZBOCLSA-N 1 1 185.311 2.143 10 0 AEAEMO CCCCOCC[N@H+]1C[C@@H](C)[C@@H]1C 382100258 409890761 /nfs/dbraw/zinc/89/07/61/409890761.db2.gz GJZYSZNOGOOBGL-MNOVXSKESA-N 1 1 185.311 2.143 10 0 AEAEMO CCCCOCC[N@H+]1C[C@H](C)[C@H]1C 382100723 409891757 /nfs/dbraw/zinc/89/17/57/409891757.db2.gz GJZYSZNOGOOBGL-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO COC(C)(C)CC[N@H+]1C[C@@H](C)[C@H]1C 382171192 409894287 /nfs/dbraw/zinc/89/42/87/409894287.db2.gz WLICSKRMPVRUPT-NXEZZACHSA-N 1 1 185.311 2.142 10 0 AEAEMO COC(C)(C)CC[N@H+]1C[C@H](C)[C@@H]1C 382171194 409894946 /nfs/dbraw/zinc/89/49/46/409894946.db2.gz WLICSKRMPVRUPT-UWVGGRQHSA-N 1 1 185.311 2.142 10 0 AEAEMO COC(C)(C)CC[N@H+]1C[C@H](C)[C@H]1C 382171195 409898043 /nfs/dbraw/zinc/89/80/43/409898043.db2.gz WLICSKRMPVRUPT-VHSXEESVSA-N 1 1 185.311 2.142 10 0 AEAEMO COC(C)(C)CC[N@H+]1C[C@@H](C)[C@@H]1C 382171196 409898293 /nfs/dbraw/zinc/89/82/93/409898293.db2.gz WLICSKRMPVRUPT-ZJUUUORDSA-N 1 1 185.311 2.142 10 0 AEAEMO COCCCCC[N@H+]1C[C@H](C)[C@H]1C 382282354 409899874 /nfs/dbraw/zinc/89/98/74/409899874.db2.gz JFWCBKRKYSDKSB-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO COCCCCC[N@H+]1C[C@@H](C)[C@@H]1C 382282350 409900143 /nfs/dbraw/zinc/90/01/43/409900143.db2.gz JFWCBKRKYSDKSB-MNOVXSKESA-N 1 1 185.311 2.143 10 0 AEAEMO COCCCCC[N@H+]1C[C@@H](C)[C@H]1C 382282348 409900424 /nfs/dbraw/zinc/90/04/24/409900424.db2.gz JFWCBKRKYSDKSB-GHMZBOCLSA-N 1 1 185.311 2.143 10 0 AEAEMO COCCCCC[N@H+]1C[C@H](C)[C@@H]1C 382282352 409900582 /nfs/dbraw/zinc/90/05/82/409900582.db2.gz JFWCBKRKYSDKSB-QWRGUYRKSA-N 1 1 185.311 2.143 10 0 AEAEMO CCCCC[N@H+]1C[C@H](O)CC[C@H]1C 382309655 409901503 /nfs/dbraw/zinc/90/15/03/409901503.db2.gz PRNIYWLKRVUGDA-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO Cc1[nH]ncc1[C@@H](C)[NH2+]CC[C@@H](C)F 382372184 409902824 /nfs/dbraw/zinc/90/28/24/409902824.db2.gz GVNDHRDHWLOSKG-HTQZYQBOSA-N 1 1 199.273 2.117 10 0 AEAEMO Cc1[nH]ncc1[C@@H](C)[NH2+]CC[C@H](C)F 382372185 409902986 /nfs/dbraw/zinc/90/29/86/409902986.db2.gz GVNDHRDHWLOSKG-JGVFFNPUSA-N 1 1 199.273 2.117 10 0 AEAEMO Cc1[nH]ncc1[C@H](C)[NH2+]CC[C@@H](C)F 382372186 409903605 /nfs/dbraw/zinc/90/36/05/409903605.db2.gz GVNDHRDHWLOSKG-SFYZADRCSA-N 1 1 199.273 2.117 10 0 AEAEMO CC[C@H]([NH2+][C@H](C)[C@H](C)N)C1CCCC1 382798517 409905663 /nfs/dbraw/zinc/90/56/63/409905663.db2.gz WRWIIHCXVVRROK-UMNHJUIQSA-N 1 1 198.354 2.281 10 0 AEAEMO CC[C@H]([NH2+][C@H](C)[C@@H](C)N)C1CCCC1 382798157 409907002 /nfs/dbraw/zinc/90/70/02/409907002.db2.gz WRWIIHCXVVRROK-FOGDFJRCSA-N 1 1 198.354 2.281 10 0 AEAEMO CC[C@H]([NH2+][C@@H](C)[C@@H](C)N)C1CCCC1 382798515 409907808 /nfs/dbraw/zinc/90/78/08/409907808.db2.gz WRWIIHCXVVRROK-SCVCMEIPSA-N 1 1 198.354 2.281 10 0 AEAEMO CC[C@H]([NH2+][C@@H](C)[C@H](C)N)C1CCCC1 382798158 409907862 /nfs/dbraw/zinc/90/78/62/409907862.db2.gz WRWIIHCXVVRROK-NHCYSSNCSA-N 1 1 198.354 2.281 10 0 AEAEMO C[C@H](C[N@H+](C)C1CC(N)C1)C(C)(C)C 384711533 409914329 /nfs/dbraw/zinc/91/43/29/409914329.db2.gz DMWGTHYTLBWILU-KPPDAEKUSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@H](C[N@@H+](C)C1CC(N)C1)C(C)(C)C 384711533 409914333 /nfs/dbraw/zinc/91/43/33/409914333.db2.gz DMWGTHYTLBWILU-KPPDAEKUSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@@H](C[N@H+](C)C1CC(N)C1)C(C)(C)C 384711534 409914348 /nfs/dbraw/zinc/91/43/48/409914348.db2.gz DMWGTHYTLBWILU-WHXUTIOJSA-N 1 1 198.354 2.090 10 0 AEAEMO C[C@@H](C[N@@H+](C)C1CC(N)C1)C(C)(C)C 384711534 409914355 /nfs/dbraw/zinc/91/43/55/409914355.db2.gz DMWGTHYTLBWILU-WHXUTIOJSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCC[C@@H](O)[C@@H]1C 384858865 409915283 /nfs/dbraw/zinc/91/52/83/409915283.db2.gz CZOAXXGYJFBPDE-SDDRHHMPSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC(CC)C[N@H+]1CCC[C@@H](O)[C@H]1C 384847393 409915706 /nfs/dbraw/zinc/91/57/06/409915706.db2.gz AUUGHLZJECWVCJ-ZYHUDNBSSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC(CC)C[N@H+]1CCC[C@@H](O)[C@@H]1C 384847384 409915893 /nfs/dbraw/zinc/91/58/93/409915893.db2.gz AUUGHLZJECWVCJ-CMPLNLGQSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC(CC)C[N@H+]1CCC[C@H](O)[C@@H]1C 384847388 409916078 /nfs/dbraw/zinc/91/60/78/409916078.db2.gz AUUGHLZJECWVCJ-JQWIXIFHSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC(CC)C[N@H+]1CCC[C@H](O)[C@H]1C 384847390 409916428 /nfs/dbraw/zinc/91/64/28/409916428.db2.gz AUUGHLZJECWVCJ-PWSUYJOCSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCC[C@H](O)[C@H]1C 384858867 409916790 /nfs/dbraw/zinc/91/67/90/409916790.db2.gz CZOAXXGYJFBPDE-TUAOUCFPSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCC[C@@H](O)[C@H]1C 384858864 409916841 /nfs/dbraw/zinc/91/68/41/409916841.db2.gz CZOAXXGYJFBPDE-QJPTWQEYSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCC[C@H](O)[C@@H]1C 384858866 409917069 /nfs/dbraw/zinc/91/70/69/409917069.db2.gz CZOAXXGYJFBPDE-SRVKXCTJSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)CCC[N@H+]1CCC[C@@H](O)[C@@H]1C 384897693 409918320 /nfs/dbraw/zinc/91/83/20/409918320.db2.gz MUAAZKKNMLHHTC-NWDGAFQWSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)CCC[N@H+]1CCC[C@H](O)[C@@H]1C 384897694 409918538 /nfs/dbraw/zinc/91/85/38/409918538.db2.gz MUAAZKKNMLHHTC-RYUDHWBXSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)CCC[N@H+]1CCC[C@@H](O)[C@H]1C 384897695 409918697 /nfs/dbraw/zinc/91/86/97/409918697.db2.gz MUAAZKKNMLHHTC-VXGBXAGGSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)CCC[N@H+]1CCC[C@H](O)[C@H]1C 384897692 409919389 /nfs/dbraw/zinc/91/93/89/409919389.db2.gz MUAAZKKNMLHHTC-NEPJUHHUSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](C)C1(CN)CCC1 385261814 409927704 /nfs/dbraw/zinc/92/77/04/409927704.db2.gz XQEVXMRWEMSGBD-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@@H](CO)[N@@H+](C)CCC1=CCCCC1 385261073 409927778 /nfs/dbraw/zinc/92/77/78/409927778.db2.gz YLFVZEQKUYJLQC-NSHDSACASA-N 1 1 197.322 2.190 10 0 AEAEMO CCC[C@H](C)C[N@@H+](C)C1(CN)CCC1 385261815 409928399 /nfs/dbraw/zinc/92/83/99/409928399.db2.gz XQEVXMRWEMSGBD-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCC[N@H+]1CC[C@H](CO)[C@H]1CC 385889115 409929529 /nfs/dbraw/zinc/92/95/29/409929529.db2.gz MNNQDWXWGPYKAB-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H]1[C@H](CO)CC[N@H+]1CC=C(C)C 385953891 409929820 /nfs/dbraw/zinc/92/98/20/409929820.db2.gz XYNVMVNSTWOOCM-RYUDHWBXSA-N 1 1 197.322 2.045 10 0 AEAEMO CC[C@H]1[C@@H](CO)CC[N@H+]1CC=C(C)C 385953887 409930112 /nfs/dbraw/zinc/93/01/12/409930112.db2.gz XYNVMVNSTWOOCM-NEPJUHHUSA-N 1 1 197.322 2.045 10 0 AEAEMO CCCCC[N@H+]1CC[C@@H](CO)[C@H]1CC 385889113 409930783 /nfs/dbraw/zinc/93/07/83/409930783.db2.gz MNNQDWXWGPYKAB-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@H]1[C@@H](CO)CC[N@H+]1CC=C(C)C 385953893 409930793 /nfs/dbraw/zinc/93/07/93/409930793.db2.gz XYNVMVNSTWOOCM-VXGBXAGGSA-N 1 1 197.322 2.045 10 0 AEAEMO CCCCC[N@H+]1CC[C@H](CO)[C@@H]1CC 385889112 409930843 /nfs/dbraw/zinc/93/08/43/409930843.db2.gz MNNQDWXWGPYKAB-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@H]1[C@H](CO)CC[N@H+]1CC=C(C)C 385953889 409931004 /nfs/dbraw/zinc/93/10/04/409931004.db2.gz XYNVMVNSTWOOCM-NWDGAFQWSA-N 1 1 197.322 2.045 10 0 AEAEMO CC[C@@H]1[C@@H](CO)CC[N@H+]1CCC(C)C 385867899 409931018 /nfs/dbraw/zinc/93/10/18/409931018.db2.gz IRVLHQPMKBOXRB-VXGBXAGGSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H]1[C@@H](CO)CC[N@H+]1CCC(C)C 385867894 409931279 /nfs/dbraw/zinc/93/12/79/409931279.db2.gz IRVLHQPMKBOXRB-NEPJUHHUSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H]1[C@H](CO)CC[N@H+]1CCC(C)C 385867896 409931408 /nfs/dbraw/zinc/93/14/08/409931408.db2.gz IRVLHQPMKBOXRB-NWDGAFQWSA-N 1 1 199.338 2.125 10 0 AEAEMO CCCCC[N@H+]1CC[C@@H](CO)[C@@H]1CC 385889114 409931488 /nfs/dbraw/zinc/93/14/88/409931488.db2.gz MNNQDWXWGPYKAB-RYUDHWBXSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H]1[C@H](CO)CC[N@H+]1CCC(C)C 385867898 409931855 /nfs/dbraw/zinc/93/18/55/409931855.db2.gz IRVLHQPMKBOXRB-RYUDHWBXSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H](CCC(C)(C)C)N[C@@H]1CC[NH2+]C1 386092533 409933060 /nfs/dbraw/zinc/93/30/60/409933060.db2.gz GFECDMQQJZSRGN-GHMZBOCLSA-N 1 1 198.354 2.153 10 0 AEAEMO C[C@@H](CCC(C)(C)C)N[C@@H]1CC[NH2+]C1 386092536 409933576 /nfs/dbraw/zinc/93/35/76/409933576.db2.gz GFECDMQQJZSRGN-WDEREUQCSA-N 1 1 198.354 2.153 10 0 AEAEMO C[C@H](CCC(C)(C)C)N[C@H]1CC[NH2+]C1 386092534 409935559 /nfs/dbraw/zinc/93/55/59/409935559.db2.gz GFECDMQQJZSRGN-MNOVXSKESA-N 1 1 198.354 2.153 10 0 AEAEMO C[C@@H](CCC(C)(C)C)N[C@H]1CC[NH2+]C1 386092535 409935690 /nfs/dbraw/zinc/93/56/90/409935690.db2.gz GFECDMQQJZSRGN-QWRGUYRKSA-N 1 1 198.354 2.153 10 0 AEAEMO COCC(C)(C)[N@@H+](C)CC=C(C)C 388204640 409948534 /nfs/dbraw/zinc/94/85/34/409948534.db2.gz CRPGVWACQADDJY-UHFFFAOYSA-N 1 1 185.311 2.309 10 0 AEAEMO CC[C@@H]1CC[N@H+]1CCOC(C)(C)C 388235659 409948616 /nfs/dbraw/zinc/94/86/16/409948616.db2.gz OLKQFIIEHJUFQU-SNVBAGLBSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@H]1CC[N@H+]1CCCCCOC 388261632 409948970 /nfs/dbraw/zinc/94/89/70/409948970.db2.gz DETOGBCVWCLKNJ-NSHDSACASA-N 1 1 185.311 2.287 10 0 AEAEMO CC[C@@H]1CC[N@H+]1CCCCCOC 388261629 409949291 /nfs/dbraw/zinc/94/92/91/409949291.db2.gz DETOGBCVWCLKNJ-LLVKDONJSA-N 1 1 185.311 2.287 10 0 AEAEMO CC[C@H]1CC[N@H+]1CCOC(C)(C)C 388235658 409949993 /nfs/dbraw/zinc/94/99/93/409949993.db2.gz OLKQFIIEHJUFQU-JTQLQIEISA-N 1 1 185.311 2.286 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCOC[C@@H]1C 388718054 409959663 /nfs/dbraw/zinc/95/96/63/409959663.db2.gz RKEKGPXBLDWHQK-MNOVXSKESA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[C@H](C)C[N@H+]1CCOC[C@@H]1C 388718055 409961131 /nfs/dbraw/zinc/96/11/31/409961131.db2.gz RKEKGPXBLDWHQK-QWRGUYRKSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[N@@H+](C)CC1(COC)CCC1 388783015 409962278 /nfs/dbraw/zinc/96/22/78/409962278.db2.gz JZBXESJRKRBWDV-UHFFFAOYSA-N 1 1 185.311 2.145 10 0 AEAEMO C[C@H]1C[N@@H+](CCOC(C)(C)C)[C@H]1C 393490720 409983655 /nfs/dbraw/zinc/98/36/55/409983655.db2.gz VBEFICPNCHXDRC-UWVGGRQHSA-N 1 1 185.311 2.142 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1CCOC(C)(C)C 393490724 409984240 /nfs/dbraw/zinc/98/42/40/409984240.db2.gz VBEFICPNCHXDRC-ZJUUUORDSA-N 1 1 185.311 2.142 10 0 AEAEMO C[C@H]1C[N@@H+](CCOC(C)(C)C)[C@@H]1C 393490721 409984414 /nfs/dbraw/zinc/98/44/14/409984414.db2.gz VBEFICPNCHXDRC-VHSXEESVSA-N 1 1 185.311 2.142 10 0 AEAEMO C[C@@H]1C[N@@H+](CCOC(C)(C)C)[C@@H]1C 393490718 409985460 /nfs/dbraw/zinc/98/54/60/409985460.db2.gz VBEFICPNCHXDRC-NXEZZACHSA-N 1 1 185.311 2.142 10 0 AEAEMO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H](C)N 393679328 409990208 /nfs/dbraw/zinc/99/02/08/409990208.db2.gz QVOSGMAOMCGGJP-QCNOEVLYSA-N 1 1 198.354 2.281 10 0 AEAEMO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H](C)N 393679326 409991469 /nfs/dbraw/zinc/99/14/69/409991469.db2.gz QVOSGMAOMCGGJP-KKOKHZNYSA-N 1 1 198.354 2.281 10 0 AEAEMO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H](C)N 393679329 409991577 /nfs/dbraw/zinc/99/15/77/409991577.db2.gz QVOSGMAOMCGGJP-YFKTTZPYSA-N 1 1 198.354 2.281 10 0 AEAEMO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H](C)N 393679327 409991606 /nfs/dbraw/zinc/99/16/06/409991606.db2.gz QVOSGMAOMCGGJP-KXNHARMFSA-N 1 1 198.354 2.281 10 0 AEAEMO CC/C=C\CC[N@H+]1CC[C@H]1COC 393974143 409995510 /nfs/dbraw/zinc/99/55/10/409995510.db2.gz UKLJOMIOUXMTNT-WYGGZMRJSA-N 1 1 183.295 2.063 10 0 AEAEMO CC/C=C\CC[N@H+]1CC[C@@H]1COC 393974137 409995823 /nfs/dbraw/zinc/99/58/23/409995823.db2.gz UKLJOMIOUXMTNT-DOGVGXBMSA-N 1 1 183.295 2.063 10 0 AEAEMO CC/C=C/CC[N@H+]1CC[C@H]1COC 393974147 409995772 /nfs/dbraw/zinc/99/57/72/409995772.db2.gz UKLJOMIOUXMTNT-ZWNMCFTASA-N 1 1 183.295 2.063 10 0 AEAEMO CC/C=C/CC[N@H+]1CC[C@@H]1COC 393974140 409996027 /nfs/dbraw/zinc/99/60/27/409996027.db2.gz UKLJOMIOUXMTNT-SGUJLRQBSA-N 1 1 183.295 2.063 10 0 AEAEMO CCCCC[N@H+]1CCC[C@H](O)[C@H]1C 395007184 410001628 /nfs/dbraw/zinc/00/16/28/410001628.db2.gz SBBPVNODHBMBPK-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO CCC(N)(CC)C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C 395095216 410001858 /nfs/dbraw/zinc/00/18/58/410001858.db2.gz DPDDIQBIZONKOK-OUAUKWLOSA-N 1 1 198.354 2.138 10 0 AEAEMO CCCCC[N@H+]1CCC[C@H](O)[C@@H]1C 395007186 410002263 /nfs/dbraw/zinc/00/22/63/410002263.db2.gz SBBPVNODHBMBPK-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC(N)(CC)C[NH2+][C@@H]1C[C@H](C)[C@H]1C 395095215 410002452 /nfs/dbraw/zinc/00/24/52/410002452.db2.gz DPDDIQBIZONKOK-HBNTYKKESA-N 1 1 198.354 2.138 10 0 AEAEMO CCCCC[N@H+]1CCC[C@@H](O)[C@@H]1C 395007188 410002614 /nfs/dbraw/zinc/00/26/14/410002614.db2.gz SBBPVNODHBMBPK-WDEREUQCSA-N 1 1 185.311 2.022 10 0 AEAEMO CCCCC[N@H+]1CCC[C@@H](O)[C@H]1C 395007183 410003356 /nfs/dbraw/zinc/00/33/56/410003356.db2.gz SBBPVNODHBMBPK-GHMZBOCLSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC(N)(CC)C[NH2+][C@@H]1C[C@H](C)[C@@H]1C 395095213 410003586 /nfs/dbraw/zinc/00/35/86/410003586.db2.gz DPDDIQBIZONKOK-GARJFASQSA-N 1 1 198.354 2.138 10 0 AEAEMO CCC(N)(CC)C[NH2+][C@@H]1C[C@@H](C)[C@H]1C 395095214 410003665 /nfs/dbraw/zinc/00/36/65/410003665.db2.gz DPDDIQBIZONKOK-GMTAPVOTSA-N 1 1 198.354 2.138 10 0 AEAEMO C1=C(C[NH2+]Cc2cocn2)CCCC1 395239861 410004340 /nfs/dbraw/zinc/00/43/40/410004340.db2.gz YJPYQKJOOUKVNO-UHFFFAOYSA-N 1 1 192.262 2.265 10 0 AEAEMO CC[C@H](C)C[N@H+]1CC[C@H](CO)[C@@H]1CC 395214235 410004668 /nfs/dbraw/zinc/00/46/68/410004668.db2.gz QYBPRZDAJAWJDY-TUAOUCFPSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](C)C[N@H+]1CC[C@H](CO)[C@H]1CC 395214228 410005180 /nfs/dbraw/zinc/00/51/80/410005180.db2.gz QYBPRZDAJAWJDY-QJPTWQEYSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](C)C[N@H+]1CC[C@@H](CO)[C@@H]1CC 395214233 410006084 /nfs/dbraw/zinc/00/60/84/410006084.db2.gz QYBPRZDAJAWJDY-SRVKXCTJSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](C)C[N@H+]1CC[C@@H](CO)[C@H]1CC 395214230 410006130 /nfs/dbraw/zinc/00/61/30/410006130.db2.gz QYBPRZDAJAWJDY-SDDRHHMPSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)([NH2+]Cc1ccn[nH]1)C1CCC1 398238861 410021390 /nfs/dbraw/zinc/02/13/90/410021390.db2.gz XTKHHOWNOIGYSS-UHFFFAOYSA-N 1 1 193.294 2.078 10 0 AEAEMO CCC[C@H](C)[N@@H+]1C[C@@H](CO)C[C@@H](C)C1 398832808 410023087 /nfs/dbraw/zinc/02/30/87/410023087.db2.gz HQQSGWHRYYMIME-WOPDTQHZSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)[N@H+]1C[C@@H](C)C[C@H](CO)C1 398832807 410023626 /nfs/dbraw/zinc/02/36/26/410023626.db2.gz HQQSGWHRYYMIME-SRVKXCTJSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)[N@H+]1C[C@H](C)C[C@@H](CO)C1 398832805 410023957 /nfs/dbraw/zinc/02/39/57/410023957.db2.gz HQQSGWHRYYMIME-GRYCIOLGSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)[N@H+]1C[C@@H](C)C[C@@H](CO)C1 398832806 410025340 /nfs/dbraw/zinc/02/53/40/410025340.db2.gz HQQSGWHRYYMIME-SDDRHHMPSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)CCC[N@H+]1C[C@H](O)CC[C@H]1C 399229377 410025893 /nfs/dbraw/zinc/02/58/93/410025893.db2.gz BKAWSVIOXHGAQY-VXGBXAGGSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)CCC[N@H+]1C[C@H](O)CC[C@@H]1C 399229374 410025951 /nfs/dbraw/zinc/02/59/51/410025951.db2.gz BKAWSVIOXHGAQY-NWDGAFQWSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H](C)C[N@H+]1C[C@@H](O)CC[C@H]1C 399242655 410026060 /nfs/dbraw/zinc/02/60/60/410026060.db2.gz HJWBYQUJIBPGCK-TUAOUCFPSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)CCC[N@H+]1C[C@@H](O)CC[C@@H]1C 399229376 410026320 /nfs/dbraw/zinc/02/63/20/410026320.db2.gz BKAWSVIOXHGAQY-RYUDHWBXSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H](C)C[N@H+]1C[C@@H](O)CC[C@@H]1C 399242653 410026392 /nfs/dbraw/zinc/02/63/92/410026392.db2.gz HJWBYQUJIBPGCK-SRVKXCTJSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC(CC)C[N@H+]1C[C@@H](O)CC[C@@H]1C 399254949 410026472 /nfs/dbraw/zinc/02/64/72/410026472.db2.gz LKKNZLWYFFJVSE-JQWIXIFHSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H](C)C[N@H+]1C[C@H](O)CC[C@@H]1C 399242650 410026548 /nfs/dbraw/zinc/02/65/48/410026548.db2.gz HJWBYQUJIBPGCK-SDDRHHMPSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCCC[N@H+]1C[C@@H](O)CC[C@H]1C 399304530 410026726 /nfs/dbraw/zinc/02/67/26/410026726.db2.gz PRNIYWLKRVUGDA-MNOVXSKESA-N 1 1 185.311 2.022 10 0 AEAEMO CCC(CC)C[N@H+]1C[C@H](O)CC[C@@H]1C 399254947 410026910 /nfs/dbraw/zinc/02/69/10/410026910.db2.gz LKKNZLWYFFJVSE-CMPLNLGQSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCCC[N@H+]1C[C@H](O)CC[C@@H]1C 399304532 410027505 /nfs/dbraw/zinc/02/75/05/410027505.db2.gz PRNIYWLKRVUGDA-WDEREUQCSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC[C@H](C)C[N@H+]1C[C@H](O)CC[C@H]1C 399242648 410027595 /nfs/dbraw/zinc/02/75/95/410027595.db2.gz HJWBYQUJIBPGCK-QJPTWQEYSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC(CC)C[N@H+]1C[C@@H](O)CC[C@H]1C 399254951 410027818 /nfs/dbraw/zinc/02/78/18/410027818.db2.gz LKKNZLWYFFJVSE-PWSUYJOCSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)CCC[N@H+]1C[C@@H](O)CC[C@H]1C 399229372 410028405 /nfs/dbraw/zinc/02/84/05/410028405.db2.gz BKAWSVIOXHGAQY-NEPJUHHUSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC(CC)C[N@H+]1C[C@H](O)CC[C@H]1C 399254954 410028554 /nfs/dbraw/zinc/02/85/54/410028554.db2.gz LKKNZLWYFFJVSE-ZYHUDNBSSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H](N[C@H](C)C(C)(C)C)[C@@H]1CCC[NH2+]1 400483539 410029930 /nfs/dbraw/zinc/02/99/30/410029930.db2.gz GHXJSKSRHPZYQN-AXFHLTTASA-N 1 1 198.354 2.151 10 0 AEAEMO C[C@H](N[C@H](C)C(C)(C)C)[C@H]1CCC[NH2+]1 400483542 410030245 /nfs/dbraw/zinc/03/02/45/410030245.db2.gz GHXJSKSRHPZYQN-HBNTYKKESA-N 1 1 198.354 2.151 10 0 AEAEMO CCC(CC)C[N@H+]1C[C@H](C)C[C@@H](O)C1 401592758 410032015 /nfs/dbraw/zinc/03/20/15/410032015.db2.gz SMHZJDKVMPYUNF-ZYHUDNBSSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)CCC[N@H+]1C[C@H](C)C[C@@H](O)C1 401578703 410032226 /nfs/dbraw/zinc/03/22/26/410032226.db2.gz JDYWOIQGHSBWAI-VXGBXAGGSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)CCC[N@H+]1C[C@@H](C)C[C@H](O)C1 401578702 410032448 /nfs/dbraw/zinc/03/24/48/410032448.db2.gz JDYWOIQGHSBWAI-RYUDHWBXSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)CCC[N@@H+]1C[C@@H](O)C[C@@H](C)C1 401578700 410032466 /nfs/dbraw/zinc/03/24/66/410032466.db2.gz JDYWOIQGHSBWAI-NEPJUHHUSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)C[N@H+]1C[C@@H](C)C[C@@H](O)C1 401583307 410032747 /nfs/dbraw/zinc/03/27/47/410032747.db2.gz LJMFPTYVTMNTQN-SDDRHHMPSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)C[N@H+]1C[C@H](C)C[C@@H](O)C1 401583306 410032826 /nfs/dbraw/zinc/03/28/26/410032826.db2.gz LJMFPTYVTMNTQN-QJPTWQEYSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)C[N@@H+]1C[C@@H](O)C[C@@H](C)C1 401583310 410032948 /nfs/dbraw/zinc/03/29/48/410032948.db2.gz LJMFPTYVTMNTQN-TUAOUCFPSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1C[C@@H](O)CC[C@@H]1C 401814102 410032981 /nfs/dbraw/zinc/03/29/81/410032981.db2.gz HJWBYQUJIBPGCK-WOPDTQHZSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC(CC)C[N@@H+]1C[C@@H](O)C[C@@H](C)C1 401592757 410033199 /nfs/dbraw/zinc/03/31/99/410033199.db2.gz SMHZJDKVMPYUNF-PWSUYJOCSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC(CC)C[N@H+]1C[C@@H](C)C[C@H](O)C1 401592756 410033522 /nfs/dbraw/zinc/03/35/22/410033522.db2.gz SMHZJDKVMPYUNF-JQWIXIFHSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](C)C[N@H+]1C[C@@H](C)C[C@H](O)C1 401583309 410033697 /nfs/dbraw/zinc/03/36/97/410033697.db2.gz LJMFPTYVTMNTQN-SRVKXCTJSA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@@H](CO)[N@@H+](C)CCC(C)(C)C1CC1 405997075 410043868 /nfs/dbraw/zinc/04/38/68/410043868.db2.gz LPQOGXKMGCOEFT-JTQLQIEISA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@@H](O)C[N@@H+](C)CCC(C)(C)C1CC1 405987487 410043904 /nfs/dbraw/zinc/04/39/04/410043904.db2.gz HIQXLKXXEGBSDE-SNVBAGLBSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[N@@H+](CCO)CCC(C)(C)C1CC1 405998954 410044754 /nfs/dbraw/zinc/04/47/54/410044754.db2.gz MMWLNLIXCBMDSY-UHFFFAOYSA-N 1 1 199.338 2.127 10 0 AEAEMO C[C@H](O)C[N@@H+](C)CCC(C)(C)C1CC1 405987486 410044827 /nfs/dbraw/zinc/04/48/27/410044827.db2.gz HIQXLKXXEGBSDE-JTQLQIEISA-N 1 1 199.338 2.125 10 0 AEAEMO C[C@H](CO)[N@@H+](C)CCC(C)(C)C1CC1 405997076 410044842 /nfs/dbraw/zinc/04/48/42/410044842.db2.gz LPQOGXKMGCOEFT-SNVBAGLBSA-N 1 1 199.338 2.125 10 0 AEAEMO C[N@@H+](CCCO)CCC(C)(C)C1CC1 405977687 410045052 /nfs/dbraw/zinc/04/50/52/410045052.db2.gz CDULSUSMWSSLDK-UHFFFAOYSA-N 1 1 199.338 2.127 10 0 AEAEMO C/C=C/CNc1nc(C)[nH+]c(C)c1C 624656684 410145981 /nfs/dbraw/zinc/14/59/81/410145981.db2.gz YKJBEQCXXSQYBR-AATRIKPKSA-N 1 1 191.278 2.390 10 0 AEAEMO C/C=C\CNc1nc(C)[nH+]c(C)c1C 624656685 410146178 /nfs/dbraw/zinc/14/61/78/410146178.db2.gz YKJBEQCXXSQYBR-WAYWQWQTSA-N 1 1 191.278 2.390 10 0 AEAEMO Cc1cc(NCC(C)(C)F)nc(C)[nH+]1 631407550 410150678 /nfs/dbraw/zinc/15/06/78/410150678.db2.gz HKXSUPOREBBFMS-UHFFFAOYSA-N 1 1 197.257 2.253 10 0 AEAEMO CCC[N@@H+](CCO)CC1=CCCCC1 649247001 410179382 /nfs/dbraw/zinc/17/93/82/410179382.db2.gz XTTNNKFKCRCEDN-UHFFFAOYSA-N 1 1 197.322 2.191 10 0 AEAEMO COCC[N@@H+](C)CC12CCC(CC1)C2 649253756 410180591 /nfs/dbraw/zinc/18/05/91/410180591.db2.gz RESRAZZQQPITGT-UHFFFAOYSA-N 1 1 197.322 2.145 10 0 AEAEMO COCCC[N@@H+](C)CC1=CCCCC1 649257142 410180746 /nfs/dbraw/zinc/18/07/46/410180746.db2.gz UVSNPVXPPOXMPY-UHFFFAOYSA-N 1 1 197.322 2.455 10 0 AEAEMO C[N@@H+](CC1=CCCCC1)CC(C)(C)O 649314038 410187996 /nfs/dbraw/zinc/18/79/96/410187996.db2.gz XAVSUXKLTXRPAK-UHFFFAOYSA-N 1 1 197.322 2.190 10 0 AEAEMO CC[N@@H+](CCCO)CC1=CCCCC1 649330429 410188240 /nfs/dbraw/zinc/18/82/40/410188240.db2.gz IEAFLVVKKMUURX-UHFFFAOYSA-N 1 1 197.322 2.191 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)CC1(CO)CC1 649469886 410203519 /nfs/dbraw/zinc/20/35/19/410203519.db2.gz WNMKOEWFGUDSTJ-NSHDSACASA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)C[C@@H](C)[N@@H+](C)CC1(CO)CC1 649469885 410204974 /nfs/dbraw/zinc/20/49/74/410204974.db2.gz WNMKOEWFGUDSTJ-LLVKDONJSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[C@H](O)C[N@@H+]1CC(C)=C[C@@H](C)C1 649532072 410210612 /nfs/dbraw/zinc/21/06/12/410210612.db2.gz KIEZUJJDGZKVFF-PWSUYJOCSA-N 1 1 197.322 2.045 10 0 AEAEMO CCC[C@@H](O)C[N@@H+]1CC(C)=C[C@@H](C)C1 649532073 410210793 /nfs/dbraw/zinc/21/07/93/410210793.db2.gz KIEZUJJDGZKVFF-ZYHUDNBSSA-N 1 1 197.322 2.045 10 0 AEAEMO C[C@H](O)CC[N@@H+](C)C1(C)CCCC1 649514878 410211101 /nfs/dbraw/zinc/21/11/01/410211101.db2.gz QYCCLELISSHGSZ-JTQLQIEISA-N 1 1 185.311 2.022 10 0 AEAEMO CC(=O)CCCCCn1cc[nH+]c1C 649528076 410211138 /nfs/dbraw/zinc/21/11/38/410211138.db2.gz GNRKKXFSVHCNPL-UHFFFAOYSA-N 1 1 194.278 2.341 10 0 AEAEMO CCC[C@H](O)C[N@@H+]1CC(C)=C[C@H](C)C1 649532071 410212140 /nfs/dbraw/zinc/21/21/40/410212140.db2.gz KIEZUJJDGZKVFF-JQWIXIFHSA-N 1 1 197.322 2.045 10 0 AEAEMO CCC[C@@H](O)C[N@@H+]1CC(C)=C[C@H](C)C1 649532070 410212188 /nfs/dbraw/zinc/21/21/88/410212188.db2.gz KIEZUJJDGZKVFF-CMPLNLGQSA-N 1 1 197.322 2.045 10 0 AEAEMO C[C@@H](O)CC[N@@H+](C)C1(C)CCCC1 649514879 410212413 /nfs/dbraw/zinc/21/24/13/410212413.db2.gz QYCCLELISSHGSZ-SNVBAGLBSA-N 1 1 185.311 2.022 10 0 AEAEMO CC1(C[N@H+]2CCC23CCCC3)COC1 649656612 410220623 /nfs/dbraw/zinc/22/06/23/410220623.db2.gz VDNQBKOGFCGXPK-UHFFFAOYSA-N 1 1 195.306 2.041 10 0 AEAEMO CCOCCC[N@H+]1CCC12CCCC2 649656564 410220752 /nfs/dbraw/zinc/22/07/52/410220752.db2.gz SYVKSFRXCKRNGM-UHFFFAOYSA-N 1 1 197.322 2.432 10 0 AEAEMO CC[C@H](C[N@H+]1CCC12CCCC2)OC 649658521 410220956 /nfs/dbraw/zinc/22/09/56/410220956.db2.gz OIGMXDHTNKQROC-LLVKDONJSA-N 1 1 197.322 2.430 10 0 AEAEMO CCC[C@@H](O)C[N@H+]1CCC12CCCC2 649658365 410221139 /nfs/dbraw/zinc/22/11/39/410221139.db2.gz IRBCZUPBIQOSOJ-LLVKDONJSA-N 1 1 197.322 2.166 10 0 AEAEMO c1cc(C[N@@H+]2CCC23CCCC3)no1 649656689 410221176 /nfs/dbraw/zinc/22/11/76/410221176.db2.gz YFWJMGDYMYYSKG-UHFFFAOYSA-N 1 1 192.262 2.193 10 0 AEAEMO c1cc(C[N@H+]2CCC23CCCC3)no1 649656689 410221182 /nfs/dbraw/zinc/22/11/82/410221182.db2.gz YFWJMGDYMYYSKG-UHFFFAOYSA-N 1 1 192.262 2.193 10 0 AEAEMO C[C@@H](O)CCC[N@H+]1CCC12CCCC2 649657936 410221346 /nfs/dbraw/zinc/22/13/46/410221346.db2.gz RTYHAUOUTIRKCC-LLVKDONJSA-N 1 1 197.322 2.166 10 0 AEAEMO CC(C)OCC[N@H+]1CCC12CCCC2 649655654 410221478 /nfs/dbraw/zinc/22/14/78/410221478.db2.gz KHOZRKGDRBSDEW-UHFFFAOYSA-N 1 1 197.322 2.430 10 0 AEAEMO C[C@H](O)CCC[N@H+]1CCC12CCCC2 649657937 410221504 /nfs/dbraw/zinc/22/15/04/410221504.db2.gz RTYHAUOUTIRKCC-NSHDSACASA-N 1 1 197.322 2.166 10 0 AEAEMO CO[C@@H](C)C[N@H+]1CCC12CCCC2 649657640 410221640 /nfs/dbraw/zinc/22/16/40/410221640.db2.gz ICMMTQIFUNDKFE-JTQLQIEISA-N 1 1 183.295 2.040 10 0 AEAEMO C1CO[C@@H](C[N@H+]2CCC23CCCC3)C1 649655957 410221712 /nfs/dbraw/zinc/22/17/12/410221712.db2.gz WOPLKDQCFFWBGJ-LLVKDONJSA-N 1 1 195.306 2.184 10 0 AEAEMO C1CCC2(C1)CC[N@@H+]2C[C@@H]1CCOC1 649656132 410221838 /nfs/dbraw/zinc/22/18/38/410221838.db2.gz AKNCNKRKVKINSD-NSHDSACASA-N 1 1 195.306 2.041 10 0 AEAEMO CCOCC[N@H+]1CCC12CCCC2 649656338 410221942 /nfs/dbraw/zinc/22/19/42/410221942.db2.gz JFBJLNBCLZCKIF-UHFFFAOYSA-N 1 1 183.295 2.041 10 0 AEAEMO CC(C)[C@@H](O)C[N@H+]1CCC12CCCC2 649658173 410222027 /nfs/dbraw/zinc/22/20/27/410222027.db2.gz BFDJHHMYEPBIBR-NSHDSACASA-N 1 1 197.322 2.022 10 0 AEAEMO C1CCC2(C1)CC[N@@H+]2C[C@H]1CCOC1 649656131 410222101 /nfs/dbraw/zinc/22/21/01/410222101.db2.gz AKNCNKRKVKINSD-LLVKDONJSA-N 1 1 195.306 2.041 10 0 AEAEMO CCC[N@H+]1CCC12CCCC2 649656731 410222113 /nfs/dbraw/zinc/22/21/13/410222113.db2.gz ZUSBUDZZEPRZEY-UHFFFAOYSA-N 1 1 153.269 2.415 10 0 AEAEMO FCCC[N@H+]1CCC12CCCC2 649657023 410222165 /nfs/dbraw/zinc/22/21/65/410222165.db2.gz JUGKDIOIHBBBME-UHFFFAOYSA-N 1 1 171.259 2.365 10 0 AEAEMO C1CO[C@H](C[N@H+]2CCC23CCCC3)C1 649655958 410222263 /nfs/dbraw/zinc/22/22/63/410222263.db2.gz WOPLKDQCFFWBGJ-NSHDSACASA-N 1 1 195.306 2.184 10 0 AEAEMO CCC[C@H](O)C[N@H+]1CCC12CCCC2 649658366 410222317 /nfs/dbraw/zinc/22/23/17/410222317.db2.gz IRBCZUPBIQOSOJ-NSHDSACASA-N 1 1 197.322 2.166 10 0 AEAEMO CC(C)[C@H](O)C[N@H+]1CCC12CCCC2 649658172 410222433 /nfs/dbraw/zinc/22/24/33/410222433.db2.gz BFDJHHMYEPBIBR-LLVKDONJSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)(O)CC[N@H+]1CCC12CCCC2 649657263 410222488 /nfs/dbraw/zinc/22/24/88/410222488.db2.gz UWOIINWPRQWGBE-UHFFFAOYSA-N 1 1 197.322 2.166 10 0 AEAEMO CC[C@@H](C[N@H+]1CCC12CCCC2)OC 649658522 410222500 /nfs/dbraw/zinc/22/25/00/410222500.db2.gz OIGMXDHTNKQROC-NSHDSACASA-N 1 1 197.322 2.430 10 0 AEAEMO CO[C@H](C)C[N@H+]1CCC12CCCC2 649657641 410222526 /nfs/dbraw/zinc/22/25/26/410222526.db2.gz ICMMTQIFUNDKFE-SNVBAGLBSA-N 1 1 183.295 2.040 10 0 AEAEMO OCCCCC[N@H+]1CCC12CCCC2 649656591 410222932 /nfs/dbraw/zinc/22/29/32/410222932.db2.gz UESADVCWDNJEDS-UHFFFAOYSA-N 1 1 197.322 2.168 10 0 AEAEMO C1CCC2(C1)CC[N@@H+]2CC1CC1 649656947 410223077 /nfs/dbraw/zinc/22/30/77/410223077.db2.gz GYKRXKYNIXROPA-UHFFFAOYSA-N 1 1 165.280 2.415 10 0 AEAEMO COCCCC[N@H+]1CCC12CCCC2 649656734 410223143 /nfs/dbraw/zinc/22/31/43/410223143.db2.gz ZWUQCSWIXBQCIH-UHFFFAOYSA-N 1 1 197.322 2.432 10 0 AEAEMO COCCC[N@H+]1CCC12CCCC2 649656666 410223295 /nfs/dbraw/zinc/22/32/95/410223295.db2.gz XHBREOHRXNBNKL-UHFFFAOYSA-N 1 1 183.295 2.041 10 0 AEAEMO c1cc(C[N@H+]2CCC23CCCC3)on1 649655574 410223315 /nfs/dbraw/zinc/22/33/15/410223315.db2.gz HBCVTSRPSWATBV-UHFFFAOYSA-N 1 1 192.262 2.193 10 0 AEAEMO CC/C=C/CC[N@@H+](C(C)C)C1COC1 649694112 410224513 /nfs/dbraw/zinc/22/45/13/410224513.db2.gz BYVWRUGARPUOHW-AATRIKPKSA-N 1 1 197.322 2.452 10 0 AEAEMO CC/C=C/CC[N@@H+](C1CC1)C1COC1 649697950 410224857 /nfs/dbraw/zinc/22/48/57/410224857.db2.gz DMSVSRQWNXHBBT-ONEGZZNKSA-N 1 1 195.306 2.206 10 0 AEAEMO CC/C=C\CC[N@@H+](C(C)C)C1COC1 649694113 410225102 /nfs/dbraw/zinc/22/51/02/410225102.db2.gz BYVWRUGARPUOHW-WAYWQWQTSA-N 1 1 197.322 2.452 10 0 AEAEMO CC/C=C\CC[N@@H+](C1CC1)C1COC1 649697949 410226479 /nfs/dbraw/zinc/22/64/79/410226479.db2.gz DMSVSRQWNXHBBT-ARJAWSKDSA-N 1 1 195.306 2.206 10 0 AEAEMO CC[N@@H+](CC=C(C)C)[C@@H]1CCCOC1 649754947 410231711 /nfs/dbraw/zinc/23/17/11/410231711.db2.gz AUPFLBWZILNXCM-GFCCVEGCSA-N 1 1 197.322 2.454 10 0 AEAEMO CC[N@@H+](CC=C(C)C)[C@H]1CCCOC1 649754948 410234131 /nfs/dbraw/zinc/23/41/31/410234131.db2.gz AUPFLBWZILNXCM-LBPRGKRZSA-N 1 1 197.322 2.454 10 0 AEAEMO CCCC[N@H+]1C[C@@H](C)OCC12CCC2 649824969 410239570 /nfs/dbraw/zinc/23/95/70/410239570.db2.gz QBJOJPUDITZVJM-LLVKDONJSA-N 1 1 197.322 2.430 10 0 AEAEMO C[C@@H]1C[N@@H+](CC2CC2)C2(CCC2)CO1 649823346 410239653 /nfs/dbraw/zinc/23/96/53/410239653.db2.gz CDHBISYEEVDYDM-SNVBAGLBSA-N 1 1 195.306 2.040 10 0 AEAEMO C[C@H]1C[N@@H+](CC2CC2)C2(CCC2)CO1 649823345 410239737 /nfs/dbraw/zinc/23/97/37/410239737.db2.gz CDHBISYEEVDYDM-JTQLQIEISA-N 1 1 195.306 2.040 10 0 AEAEMO CCC[N@H+]1C[C@H](C)OCC12CCC2 649825322 410240033 /nfs/dbraw/zinc/24/00/33/410240033.db2.gz YYTHKZDCXFJKCN-JTQLQIEISA-N 1 1 183.295 2.040 10 0 AEAEMO CC(C)C[N@H+]1C[C@@H](C)OCC12CCC2 649824630 410240260 /nfs/dbraw/zinc/24/02/60/410240260.db2.gz HFKPBGHHKZGKNS-LLVKDONJSA-N 1 1 197.322 2.286 10 0 AEAEMO CCCC[N@H+]1C[C@H](C)OCC12CCC2 649824970 410240523 /nfs/dbraw/zinc/24/05/23/410240523.db2.gz QBJOJPUDITZVJM-NSHDSACASA-N 1 1 197.322 2.430 10 0 AEAEMO CC(C)C[N@H+]1C[C@H](C)OCC12CCC2 649824631 410240683 /nfs/dbraw/zinc/24/06/83/410240683.db2.gz HFKPBGHHKZGKNS-NSHDSACASA-N 1 1 197.322 2.286 10 0 AEAEMO CCC[N@H+]1C[C@@H](C)OCC12CCC2 649825323 410240749 /nfs/dbraw/zinc/24/07/49/410240749.db2.gz YYTHKZDCXFJKCN-SNVBAGLBSA-N 1 1 183.295 2.040 10 0 AEAEMO CC[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 649883942 410243247 /nfs/dbraw/zinc/24/32/47/410243247.db2.gz KQAAGEDWJKOTNL-RHYQMDGZSA-N 1 1 177.291 2.150 10 0 AEAEMO CC(C)[N@H+]1CC[C@]2(C1)CC2(F)F 649901466 410246212 /nfs/dbraw/zinc/24/62/12/410246212.db2.gz MPUPWFGLHKRTJX-MRVPVSSYSA-N 1 1 175.222 2.126 10 0 AEAEMO FC1(F)C[C@]12CC[N@@H+](CC1CC1)C2 649904462 410246689 /nfs/dbraw/zinc/24/66/89/410246689.db2.gz GGVIADSXNKAULJ-VIFPVBQESA-N 1 1 187.233 2.128 10 0 AEAEMO FCCC[N@H+]1CC[C@]2(C1)CC2(F)F 649904442 410247244 /nfs/dbraw/zinc/24/72/44/410247244.db2.gz GBUBRUQBMCSVQV-MRVPVSSYSA-N 1 1 193.212 2.077 10 0 AEAEMO CCC[N@H+]1CC[C@]2(C1)CC2(F)F 649902951 410247448 /nfs/dbraw/zinc/24/74/48/410247448.db2.gz IEKAHOQDKVEDIB-MRVPVSSYSA-N 1 1 175.222 2.128 10 0 AEAEMO CC(C)[N@H+]1CC[C@@]2(C1)CC2(F)F 649901467 410247525 /nfs/dbraw/zinc/24/75/25/410247525.db2.gz MPUPWFGLHKRTJX-QMMMGPOBSA-N 1 1 175.222 2.126 10 0 AEAEMO CC(C)C[N@H+]1CC[C@@]2(C1)CC2(F)F 649901455 410247589 /nfs/dbraw/zinc/24/75/89/410247589.db2.gz MKKBRFOUGGXUAM-VIFPVBQESA-N 1 1 189.249 2.374 10 0 AEAEMO CC(C)C[N@H+]1CC[C@]2(C1)CC2(F)F 649901454 410248059 /nfs/dbraw/zinc/24/80/59/410248059.db2.gz MKKBRFOUGGXUAM-SECBINFHSA-N 1 1 189.249 2.374 10 0 AEAEMO FCCC[N@H+]1CC[C@@]2(C1)CC2(F)F 649904444 410248249 /nfs/dbraw/zinc/24/82/49/410248249.db2.gz GBUBRUQBMCSVQV-QMMMGPOBSA-N 1 1 193.212 2.077 10 0 AEAEMO CCC[N@H+]1CC[C@@]2(C1)CC2(F)F 649902952 410248285 /nfs/dbraw/zinc/24/82/85/410248285.db2.gz IEKAHOQDKVEDIB-QMMMGPOBSA-N 1 1 175.222 2.128 10 0 AEAEMO FC1(F)C[C@@]12CC[N@@H+](CC1CC1)C2 649904460 410248347 /nfs/dbraw/zinc/24/83/47/410248347.db2.gz GGVIADSXNKAULJ-SECBINFHSA-N 1 1 187.233 2.128 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CC[C@@H](F)C1 649946026 410249475 /nfs/dbraw/zinc/24/94/75/410249475.db2.gz COYGFTVFQPTFRN-VHSXEESVSA-N 1 1 173.275 2.465 10 0 AEAEMO CC/C=C\CC[N@H+]1CCC[C@H](O)[C@@H]1C 649951645 410249591 /nfs/dbraw/zinc/24/95/91/410249591.db2.gz HTICWFWOGYEVSG-DFPOMNKCSA-N 1 1 197.322 2.188 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@@H](OC)[C@@H](C)C1 650000970 410249838 /nfs/dbraw/zinc/24/98/38/410249838.db2.gz DCGDCAZFDUXUNW-GARJFASQSA-N 1 1 185.311 2.142 10 0 AEAEMO CC/C=C/CC[N@H+]1CCC[C@H](O)[C@@H]1C 649951648 410250074 /nfs/dbraw/zinc/25/00/74/410250074.db2.gz HTICWFWOGYEVSG-XMXMHJJKSA-N 1 1 197.322 2.188 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@@H](OC)[C@H](C)C1 650000971 410250132 /nfs/dbraw/zinc/25/01/32/410250132.db2.gz DCGDCAZFDUXUNW-OUAUKWLOSA-N 1 1 185.311 2.142 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@H](OC)[C@@H](C)C1 650000969 410251166 /nfs/dbraw/zinc/25/11/66/410251166.db2.gz DCGDCAZFDUXUNW-DCAQKATOSA-N 1 1 185.311 2.142 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@H](OC)[C@H](C)C1 650000972 410251232 /nfs/dbraw/zinc/25/12/32/410251232.db2.gz DCGDCAZFDUXUNW-VWYCJHECSA-N 1 1 185.311 2.142 10 0 AEAEMO CC(C)C[C@@H](C)[N@H+]1CC[C@@H](F)C1 649946025 410251253 /nfs/dbraw/zinc/25/12/53/410251253.db2.gz COYGFTVFQPTFRN-NXEZZACHSA-N 1 1 173.275 2.465 10 0 AEAEMO COCCC[N@H+]1C[C@H]2CCCC[C@H]2C1 650014844 410253350 /nfs/dbraw/zinc/25/33/50/410253350.db2.gz HMGBKLRTEWBNFV-TXEJJXNPSA-N 1 1 197.322 2.145 10 0 AEAEMO CCOCC[N@H+]1[C@@H](C)CCC1(C)C 650286437 410258761 /nfs/dbraw/zinc/25/87/61/410258761.db2.gz GSEZHIFACRQHDT-JTQLQIEISA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@@H+](CCOC)C1 650245057 410260728 /nfs/dbraw/zinc/26/07/28/410260728.db2.gz JSAXEYDAMPNNSH-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO CCOCC[N@H+]1[C@H](C)CCC1(C)C 650286438 410260696 /nfs/dbraw/zinc/26/06/96/410260696.db2.gz GSEZHIFACRQHDT-SNVBAGLBSA-N 1 1 185.311 2.286 10 0 AEAEMO CCC[N@H+]1CCOCC12CCCCC2 650172434 410260967 /nfs/dbraw/zinc/26/09/67/410260967.db2.gz DFZOJDQXGOMCKU-UHFFFAOYSA-N 1 1 197.322 2.432 10 0 AEAEMO CCC[N@H+]1CCC[C@H](COC)CC1 650337584 410263244 /nfs/dbraw/zinc/26/32/44/410263244.db2.gz PLGAPQCZMJCEQO-NSHDSACASA-N 1 1 185.311 2.145 10 0 AEAEMO CCC[N@H+]1CCC[C@@H](COC)CC1 650337583 410264501 /nfs/dbraw/zinc/26/45/01/410264501.db2.gz PLGAPQCZMJCEQO-LLVKDONJSA-N 1 1 185.311 2.145 10 0 AEAEMO CC(C)[N@@H+](CCCO)C1CC(C)(C)C1 650344789 410266107 /nfs/dbraw/zinc/26/61/07/410266107.db2.gz QOFXTGGGMJAXFO-UHFFFAOYSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[N@H+](C[C@H](C)O)C1CC(C)(C)C1 650346043 410266239 /nfs/dbraw/zinc/26/62/39/410266239.db2.gz XDNUAZKFUIKDCX-JTQLQIEISA-N 1 1 199.338 2.266 10 0 AEAEMO CC(C)[N@H+](C[C@@H](C)O)C1CC(C)(C)C1 650346044 410267224 /nfs/dbraw/zinc/26/72/24/410267224.db2.gz XDNUAZKFUIKDCX-SNVBAGLBSA-N 1 1 199.338 2.266 10 0 AEAEMO C[C@@H](N[C@H](C)C(C)(C)C)[C@H]1CCC[NH2+]1 650760531 410277891 /nfs/dbraw/zinc/27/78/91/410277891.db2.gz GHXJSKSRHPZYQN-GMTAPVOTSA-N 1 1 198.354 2.151 10 0 AEAEMO C[C@@H](N[C@H](C)C(C)(C)C)[C@@H]1CCC[NH2+]1 650760532 410279454 /nfs/dbraw/zinc/27/94/54/410279454.db2.gz GHXJSKSRHPZYQN-MXWKQRLJSA-N 1 1 198.354 2.151 10 0 AEAEMO C[C@H]1[C@H](C)C[C@@H](C)C[N@@H+]1CCF 307284352 629759576 /nfs/dbraw/zinc/75/95/76/629759576.db2.gz KXGZMZCGXFFNLW-BBBLOLIVSA-N 1 1 173.275 2.322 10 0 AEAEMO CC[C@H](C)[N@@H+](C)c1ccc(N)c(N)c1 233996930 571980712 /nfs/dbraw/zinc/98/07/12/571980712.db2.gz PPBOODLZROIBIT-QMMMGPOBSA-N 1 1 193.294 2.086 10 0 AEAEMO CCC[C@@](C)(CN)[N@@H+](CC)CC1CC1 68946487 572004219 /nfs/dbraw/zinc/00/42/19/572004219.db2.gz XKIAFRNWZWPQKT-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[N@@H+](CCCC[C@@H](C)O)CC1CC1 68947864 572012146 /nfs/dbraw/zinc/01/21/46/572012146.db2.gz MHADLVLVJWQDNA-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[N@H+](CC1CC1)C[C@@](C)(CC)CN 68948399 572012176 /nfs/dbraw/zinc/01/21/76/572012176.db2.gz DWAFNPJPGVHWQI-LBPRGKRZSA-N 1 1 198.354 2.093 10 0 AEAEMO CC[N@@H+](CC1CC1)C[C@@](C)(CC)CN 68948399 572012178 /nfs/dbraw/zinc/01/21/78/572012178.db2.gz DWAFNPJPGVHWQI-LBPRGKRZSA-N 1 1 198.354 2.093 10 0 AEAEMO CCCC(=O)C[N@H+]1CC[C@@H]2CCC[C@H]21 393454737 572012237 /nfs/dbraw/zinc/01/22/37/572012237.db2.gz BEYHVDHBXUDZIF-CMPLNLGQSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC[C@@H](CN)[N@@H+](C)C(C)(C)CC 68995338 572016623 /nfs/dbraw/zinc/01/66/23/572016623.db2.gz NYKNHAQGQYPAQJ-JTQLQIEISA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[C@H]([NH3+])CN1CCCCCC1 37480811 572156214 /nfs/dbraw/zinc/15/62/14/572156214.db2.gz MXTSVOPUAZUEKV-LBPRGKRZSA-N 1 1 198.354 2.380 10 0 AEAEMO CCC[C@@H](C)C[N@H+]1CCNC[C@@H]1CC 82476545 572039926 /nfs/dbraw/zinc/03/99/26/572039926.db2.gz ZWFXAIYVKWZXAB-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](C)CN1CC[NH2+]C[C@@H]1CC 82476545 572039928 /nfs/dbraw/zinc/03/99/28/572039928.db2.gz ZWFXAIYVKWZXAB-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)C1(CN)CCCC1 36790283 572071350 /nfs/dbraw/zinc/07/13/50/572071350.db2.gz HDALBWUSLLPGMZ-NSHDSACASA-N 1 1 198.354 2.378 10 0 AEAEMO Cc1ccc(-c2cc(N)cc[nH+]2)nc1 34484577 572086697 /nfs/dbraw/zinc/08/66/97/572086697.db2.gz HQVJCRYEVUBMCJ-UHFFFAOYSA-N 1 1 185.230 2.034 10 0 AEAEMO CCC[C@H](CN)[N@H+]1CCCC[C@@H]1CC 37082978 572086711 /nfs/dbraw/zinc/08/67/11/572086711.db2.gz PHNYAUQOXGOUFV-NWDGAFQWSA-N 1 1 198.354 2.378 10 0 AEAEMO CC(=O)C[C@@H](C)[N@@H+](C)Cc1ccco1 82792223 572113015 /nfs/dbraw/zinc/11/30/15/572113015.db2.gz PXDOTTVDQDXKTB-SECBINFHSA-N 1 1 195.262 2.079 10 0 AEAEMO CCC[C@@](C)(N)C[N@@H+](CC)C(C)C 37480930 572156116 /nfs/dbraw/zinc/15/61/16/572156116.db2.gz OJEXAFFXZDQJOA-LLVKDONJSA-N 1 1 186.343 2.234 10 0 AEAEMO CCC[C@@](C)([NH3+])CN(CC)C(C)C 37480930 572156118 /nfs/dbraw/zinc/15/61/18/572156118.db2.gz OJEXAFFXZDQJOA-LLVKDONJSA-N 1 1 186.343 2.234 10 0 AEAEMO CC[N@@H+](CC(C)C)C[C@](C)(N)C1CC1 37479222 572156138 /nfs/dbraw/zinc/15/61/38/572156138.db2.gz FKSQOEQCDZJIJM-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CCN(CC(C)C)C[C@](C)([NH3+])C1CC1 37479222 572156141 /nfs/dbraw/zinc/15/61/41/572156141.db2.gz FKSQOEQCDZJIJM-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCN(CCC)C[C@](C)([NH3+])C1CC1 37479153 572156165 /nfs/dbraw/zinc/15/61/65/572156165.db2.gz NDHWPBLMPDWELN-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CCC[C@](C)(N)C[N@@H+](C)C1CCCC1 37480937 572156171 /nfs/dbraw/zinc/15/61/71/572156171.db2.gz DCQLUKGUWOHOPR-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC[C@](C)([NH3+])CN(C)C1CCCC1 37480937 572156172 /nfs/dbraw/zinc/15/61/72/572156172.db2.gz DCQLUKGUWOHOPR-LBPRGKRZSA-N 1 1 198.354 2.378 10 0 AEAEMO Cc1n[nH]c(C)c1[C@H]1CCCC[N@@H+]1C 75906697 572916011 /nfs/dbraw/zinc/91/60/11/572916011.db2.gz GOUSMDFSLUWKML-SNVBAGLBSA-N 1 1 193.294 2.183 10 0 AEAEMO CC(=O)C[C@H]1CCC[N@@H+]1CC(C)C 86497977 572946385 /nfs/dbraw/zinc/94/63/85/572946385.db2.gz PXFMKZYOCHRFCH-LLVKDONJSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(=O)C[C@H]1CCCC[N@H+]1CC1CC1 86499138 572946426 /nfs/dbraw/zinc/94/64/26/572946426.db2.gz ZADQMWJAPKYGJG-GFCCVEGCSA-N 1 1 195.306 2.230 10 0 AEAEMO CCCC[N@H+]1CCC[C@@H]1CC(C)=O 86497370 572946448 /nfs/dbraw/zinc/94/64/48/572946448.db2.gz WUZXDPSHOJLFOS-LLVKDONJSA-N 1 1 183.295 2.230 10 0 AEAEMO CCCC[N@@H+](C)[C@H](C)[C@H]1CCCO1 308221767 573011528 /nfs/dbraw/zinc/01/15/28/573011528.db2.gz LLUBCSJSDSUHPZ-GHMZBOCLSA-N 1 1 185.311 2.286 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CC[C@H](C)[C@H]1CN 308504651 573151276 /nfs/dbraw/zinc/15/12/76/573151276.db2.gz YGCVGEPCZQXQQZ-SDDRHHMPSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[N@@H+](C)Cc1c(N)cccc1Cl 82582585 573111205 /nfs/dbraw/zinc/11/12/05/573111205.db2.gz QFQFWZOCRBBFGH-UHFFFAOYSA-N 1 1 198.697 2.374 10 0 AEAEMO CC[C@@H](N)C[N@H+]1C[C@H](CC)CC[C@@H]1C 308504240 573151171 /nfs/dbraw/zinc/15/11/71/573151171.db2.gz XYIBJVIOCHTYNR-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H]([NH3+])CN1C[C@H](CC)CC[C@@H]1C 308504240 573151177 /nfs/dbraw/zinc/15/11/77/573151177.db2.gz XYIBJVIOCHTYNR-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[C@@H](C)C[N@H+]1CCCC[C@@H]1CN 308511867 573166724 /nfs/dbraw/zinc/16/67/24/573166724.db2.gz KEGBUAKVHLAKFC-NWDGAFQWSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@](C)([C@@H](C)O)[N@@H+](C)C1CCCC1 308512161 573166859 /nfs/dbraw/zinc/16/68/59/573166859.db2.gz CQLYNXABSKMTQA-PWSUYJOCSA-N 1 1 199.338 2.410 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1CCC(C)(C)[NH3+] 82773467 573183968 /nfs/dbraw/zinc/18/39/68/573183968.db2.gz MIPYYUAHVWSHHF-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CC(C)[C@@H](C)C[NH2+]N1CCCCC1 308294551 573184603 /nfs/dbraw/zinc/18/46/03/573184603.db2.gz RKWJOPYDEJLENX-NSHDSACASA-N 1 1 184.327 2.269 10 0 AEAEMO CC[N@H+]1CCCC[C@@H]1C1(N)CCCC1 257966901 573199468 /nfs/dbraw/zinc/19/94/68/573199468.db2.gz JVKVZMHCNSAEKG-LLVKDONJSA-N 1 1 196.338 2.132 10 0 AEAEMO CCN1CCCC[C@@H]1C1([NH3+])CCCC1 257966901 573199489 /nfs/dbraw/zinc/19/94/89/573199489.db2.gz JVKVZMHCNSAEKG-LLVKDONJSA-N 1 1 196.338 2.132 10 0 AEAEMO CC(=O)C[C@H](C)[N@H+]1CCCC1(C)C 82792683 573199883 /nfs/dbraw/zinc/19/98/83/573199883.db2.gz GQVYTUPNJMRDKD-VIFPVBQESA-N 1 1 183.295 2.228 10 0 AEAEMO CC(=O)C[C@@H](C)[N@H+]1CCCC(C)(C)C1 82792795 573199917 /nfs/dbraw/zinc/19/99/17/573199917.db2.gz IZRYXMLWAPTODD-SNVBAGLBSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(=O)C[C@H](C)n1c[nH+]c(C)c1C 82792959 573199976 /nfs/dbraw/zinc/19/99/76/573199976.db2.gz BXCGDXKMNNQYQV-ZETCQYMHSA-N 1 1 180.251 2.040 10 0 AEAEMO CC(=O)C[C@H](C)[N@H+]1CCCC(C)(C)C1 82792794 573200520 /nfs/dbraw/zinc/20/05/20/573200520.db2.gz IZRYXMLWAPTODD-JTQLQIEISA-N 1 1 197.322 2.476 10 0 AEAEMO CCOCC[N@H+]1CC[C@@H](CC)[C@@H]1C 308305605 573200555 /nfs/dbraw/zinc/20/05/55/573200555.db2.gz NQUCZZAPNIKPQR-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO CCCC(=O)C[N@H+]1CC[C@@H](C)[C@H](C)C1 132062749 573200637 /nfs/dbraw/zinc/20/06/37/573200637.db2.gz ANIGJWOWFGEGDY-GHMZBOCLSA-N 1 1 197.322 2.334 10 0 AEAEMO CCC(C)(C)C[N@@H+](C)CCCCO 308304254 573200678 /nfs/dbraw/zinc/20/06/78/573200678.db2.gz NNYKWULHDYOKSS-UHFFFAOYSA-N 1 1 187.327 2.127 10 0 AEAEMO CC(=O)C[C@H](C)[N@H+]1CCC[C@H](C)C1 82791698 573200721 /nfs/dbraw/zinc/20/07/21/573200721.db2.gz SWRYTANLESBNKX-UWVGGRQHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@H](C)[N@@H+](C)CC1(CC)COC1 308307620 573203392 /nfs/dbraw/zinc/20/33/92/573203392.db2.gz PFQPSXAXXRBOTD-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO CCCC(=O)C[N@H+]1CC[C@H](C)[C@H](C)C1 132062503 573203456 /nfs/dbraw/zinc/20/34/56/573203456.db2.gz ANIGJWOWFGEGDY-WDEREUQCSA-N 1 1 197.322 2.334 10 0 AEAEMO CC1(C)CCC([N@H+]2CC[C@@H](O)C2)CC1 107188148 573205435 /nfs/dbraw/zinc/20/54/35/573205435.db2.gz PDCURHPZGDGNNR-LLVKDONJSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[C@H](CC)[N@H+](C)[C@@H]1CCCNC1 233341649 573209097 /nfs/dbraw/zinc/20/90/97/573209097.db2.gz GQSQLBXEORGUHV-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H](CC)[N@@H+](C)[C@@H]1CCCNC1 233341649 573209101 /nfs/dbraw/zinc/20/91/01/573209101.db2.gz GQSQLBXEORGUHV-NWDGAFQWSA-N 1 1 198.354 2.249 10 0 AEAEMO C[C@H](O)C[C@H](C)[N@H+]1CCCC(C)(C)C1 82815271 573209140 /nfs/dbraw/zinc/20/91/40/573209140.db2.gz BVJHTMPAORFLEC-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@@H](C)[N@@H+](CCOC)CC1CC1 308309124 573213116 /nfs/dbraw/zinc/21/31/16/573213116.db2.gz QAKWBBMGLCNTAF-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H]1CC1(O)CCC1 257975643 573224959 /nfs/dbraw/zinc/22/49/59/573224959.db2.gz KKVSTAXQZZKCQL-LLVKDONJSA-N 1 1 197.322 2.164 10 0 AEAEMO CCC(CC)C[N@@H+](C)C(C)(C)CN 129104012 573225104 /nfs/dbraw/zinc/22/51/04/573225104.db2.gz DNUQXGJQXNSBLH-UHFFFAOYSA-N 1 1 186.343 2.092 10 0 AEAEMO C/C=C\C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C 308310948 573225697 /nfs/dbraw/zinc/22/56/97/573225697.db2.gz RGXCKIMVDLZYTA-CMMBHTCHSA-N 1 1 183.295 2.060 10 0 AEAEMO CC1(C)CC[N@H+]1CCOC(F)(F)F 308312521 573225715 /nfs/dbraw/zinc/22/57/15/573225715.db2.gz SHJFXXREXWSOBG-UHFFFAOYSA-N 1 1 197.200 2.007 10 0 AEAEMO C[C@@H]1C[N@H+](CC(=O)C(C)(C)C)C[C@@H]1C 86010881 573226075 /nfs/dbraw/zinc/22/60/75/573226075.db2.gz ZZMKBYXJIAWDCD-AOOOYVTPSA-N 1 1 197.322 2.189 10 0 AEAEMO CCC(CC)[N@@H+](CCO)C1CCCC1 50107214 573229940 /nfs/dbraw/zinc/22/99/40/573229940.db2.gz TUOHDPULTPZGGH-UHFFFAOYSA-N 1 1 199.338 2.412 10 0 AEAEMO CCCC[N@@H+](CCO)C(CC)CC 50107213 573230043 /nfs/dbraw/zinc/23/00/43/573230043.db2.gz BKAMLDBQHNKQSI-UHFFFAOYSA-N 1 1 187.327 2.269 10 0 AEAEMO CC[C@@H]1CCC[C@H]([N@@H+]2CCC(=O)C2)C1 82847748 573230142 /nfs/dbraw/zinc/23/01/42/573230142.db2.gz XZNUZQNOTVJKJG-MNOVXSKESA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@@H]1CCC[C@H]([N@H+]2CCC(=O)C2)C1 82847748 573230148 /nfs/dbraw/zinc/23/01/48/573230148.db2.gz XZNUZQNOTVJKJG-MNOVXSKESA-N 1 1 195.306 2.230 10 0 AEAEMO CCOC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 308313931 573230196 /nfs/dbraw/zinc/23/01/96/573230196.db2.gz UUXQZSCOALAFCC-GHMZBOCLSA-N 1 1 185.311 2.143 10 0 AEAEMO CC(C)=CC[N@@H+](CCO)C1CCCC1 50106587 573230365 /nfs/dbraw/zinc/23/03/65/573230365.db2.gz AQENAWSEZLCFMM-UHFFFAOYSA-N 1 1 197.322 2.190 10 0 AEAEMO CCC[C@H](C)[NH2+]C[C@]1(C)CCCCN1 308525623 573230394 /nfs/dbraw/zinc/23/03/94/573230394.db2.gz IXFYGYWVCNVTFU-RYUDHWBXSA-N 1 1 198.354 2.297 10 0 AEAEMO CC[C@@H]1CCC[C@@H]([N@@H+]2CCC(=O)C2)C1 82847750 573230448 /nfs/dbraw/zinc/23/04/48/573230448.db2.gz XZNUZQNOTVJKJG-GHMZBOCLSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@@H]1CCC[C@@H]([N@H+]2CCC(=O)C2)C1 82847750 573230452 /nfs/dbraw/zinc/23/04/52/573230452.db2.gz XZNUZQNOTVJKJG-GHMZBOCLSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@H](C)c1cc(C[C@H]([NH3+])CC)n[nH]1 308526583 573237086 /nfs/dbraw/zinc/23/70/86/573237086.db2.gz IYNDCBSEBHNGGG-DTWKUNHWSA-N 1 1 195.310 2.203 10 0 AEAEMO CC(C)CCC[N@@H+](C)[C@H]1CCC[C@@H]1N 259042431 573237196 /nfs/dbraw/zinc/23/71/96/573237196.db2.gz PJKZQOIILKKSHR-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCCN(C)[C@H]1CCC[C@@H]1[NH3+] 259042431 573237202 /nfs/dbraw/zinc/23/72/02/573237202.db2.gz PJKZQOIILKKSHR-RYUDHWBXSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]([NH3+])Cc1cc([C@H](C)CC)[nH]n1 308526582 573237255 /nfs/dbraw/zinc/23/72/55/573237255.db2.gz IYNDCBSEBHNGGG-BDAKNGLRSA-N 1 1 195.310 2.203 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@]1(CN)CC[C@@H]1C 308528264 573237353 /nfs/dbraw/zinc/23/73/53/573237353.db2.gz JTYXPIHMIRVEFK-SRVKXCTJSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](C)[C@]1(CN)C[C@H](C)CC[C@@H]1C 82859904 573239278 /nfs/dbraw/zinc/23/92/78/573239278.db2.gz ABESIVUXWNMHMB-WOPDTQHZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)CCC[N@@H+](C)[C@@H]1CCC[C@@H]1N 259042429 573239375 /nfs/dbraw/zinc/23/93/75/573239375.db2.gz PJKZQOIILKKSHR-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)CCCN(C)[C@@H]1CCC[C@@H]1[NH3+] 259042429 573239386 /nfs/dbraw/zinc/23/93/86/573239386.db2.gz PJKZQOIILKKSHR-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](C)[C@]1(CN)CC[C@H](C)C[C@@H]1C 82859906 573239525 /nfs/dbraw/zinc/23/95/25/573239525.db2.gz FXCPJZVOBAWCNF-SRVKXCTJSA-N 1 1 198.354 2.092 10 0 AEAEMO CCN[C@@H](C)C[NH2+]C1CC(C(C)C)C1 714661767 573247421 /nfs/dbraw/zinc/24/74/21/573247421.db2.gz WUIJCQFAPJFBFD-UNXYVOJBSA-N 1 1 198.354 2.009 10 0 AEAEMO CC[NH2+][C@@H](C)CNC1CC(C(C)C)C1 714661767 573247426 /nfs/dbraw/zinc/24/74/26/573247426.db2.gz WUIJCQFAPJFBFD-UNXYVOJBSA-N 1 1 198.354 2.009 10 0 AEAEMO CCC[N@H+](CC(=O)CC)CC(C)C 393578481 573247566 /nfs/dbraw/zinc/24/75/66/573247566.db2.gz CCFXMTAOENUCAU-UHFFFAOYSA-N 1 1 185.311 2.334 10 0 AEAEMO CC(C)C[C@@]1(O)CC[N@H+]2CCCC[C@@H]21 123907731 573247752 /nfs/dbraw/zinc/24/77/52/573247752.db2.gz PQOPQENLQUXKRX-NEPJUHHUSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)(C)[C@]1(O)CC[N@H+]2CCCC[C@@H]21 123913003 573252037 /nfs/dbraw/zinc/25/20/37/573252037.db2.gz ZJIYZTLOFRXEPJ-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]([N@@H+](C)[C@@H](CN)C1CC1)C(C)(C)C 42741642 573252129 /nfs/dbraw/zinc/25/21/29/573252129.db2.gz MGLQOFOSAJEIRZ-ONGXEEELSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC[N@@H+](C)[C@@H](C)C1CCOCC1 308328359 573252242 /nfs/dbraw/zinc/25/22/42/573252242.db2.gz HBYCZVNFJBLJFE-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO [NH3+]C/C=C/c1ccc(-c2ncc[nH]2)cc1 257987644 573271369 /nfs/dbraw/zinc/27/13/69/573271369.db2.gz AWUQFAPRLWPWEN-OWOJBTEDSA-N 1 1 199.257 2.049 10 0 AEAEMO CC(C)N(C)C[C@@H]([NH3+])CC1CCCC1 74236808 573271379 /nfs/dbraw/zinc/27/13/79/573271379.db2.gz QGUDTTQIXMLBOD-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[N@H+](C)C[C@@H](N)CC1CCCC1 74236808 573271384 /nfs/dbraw/zinc/27/13/84/573271384.db2.gz QGUDTTQIXMLBOD-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[N@@H+](C)C[C@@H](N)CC1CCCC1 74236808 573271388 /nfs/dbraw/zinc/27/13/88/573271388.db2.gz QGUDTTQIXMLBOD-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@@H+](CC1CC1)C[C@H](CC)NC 50179573 573271727 /nfs/dbraw/zinc/27/17/27/573271727.db2.gz XRENOEPHZADHQI-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[N@H+](CC1CC1)C[C@H](CC)NC 50179573 573271731 /nfs/dbraw/zinc/27/17/31/573271731.db2.gz XRENOEPHZADHQI-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)NC 50166469 573271874 /nfs/dbraw/zinc/27/18/74/573271874.db2.gz QGSQNDQWOXETKR-SDDRHHMPSA-N 1 1 198.354 2.247 10 0 AEAEMO CCCC[N@@H+](CC(=O)CC)C1CC1 50179972 573271892 /nfs/dbraw/zinc/27/18/92/573271892.db2.gz OXPTYKZPBXAVLM-UHFFFAOYSA-N 1 1 183.295 2.230 10 0 AEAEMO CC[C@H]([NH3+])C1(N(C)C)CCC(C)CC1 74236728 573272020 /nfs/dbraw/zinc/27/20/20/573272020.db2.gz RPJROKBZCNSMLP-CXQJBGSLSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C[N@H+](CC1CC1)C(C)C)NC 50179777 573272031 /nfs/dbraw/zinc/27/20/31/573272031.db2.gz AMNHKARVEDTCBZ-GFCCVEGCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C[N@@H+](CC1CC1)C(C)C)NC 50179777 573272035 /nfs/dbraw/zinc/27/20/35/573272035.db2.gz AMNHKARVEDTCBZ-GFCCVEGCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(=O)C[N@@H+]1CCCC[C@H]1CC 50179735 573274065 /nfs/dbraw/zinc/27/40/65/573274065.db2.gz FXONXHAYRKQTCD-SNVBAGLBSA-N 1 1 183.295 2.230 10 0 AEAEMO CC[N@H+](CC(C)(C)CN)[C@H]1CC[C@@H]1C 308535218 573274138 /nfs/dbraw/zinc/27/41/38/573274138.db2.gz MAHFGVUNLJZLMI-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](CC(C)(C)CN)[C@H]1CC[C@@H]1C 308535218 573274140 /nfs/dbraw/zinc/27/41/40/573274140.db2.gz MAHFGVUNLJZLMI-QWRGUYRKSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC(=O)C[N@@H+](C)[C@H]1CCCC[C@@H]1C 50180068 573273380 /nfs/dbraw/zinc/27/33/80/573273380.db2.gz QHQJNUSTNVQLDC-JQWIXIFHSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(=O)C[N@@H+]1CCC[C@@H](CC)C1 50179829 573273471 /nfs/dbraw/zinc/27/34/71/573273471.db2.gz KWQDMPAZVDCNIH-SNVBAGLBSA-N 1 1 183.295 2.088 10 0 AEAEMO CCC(=O)C[N@@H+](C)[C@@H](C)C(C)(C)C 50180090 573273504 /nfs/dbraw/zinc/27/35/04/573273504.db2.gz FGZKBJGVYKWCPB-VIFPVBQESA-N 1 1 185.311 2.332 10 0 AEAEMO CC[C@@H]([NH3+])C1(N(C)C)CCCCCC1 74236727 573273576 /nfs/dbraw/zinc/27/35/76/573273576.db2.gz MTWCVLLDKBUADC-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO CCC(=O)C[N@H+](CC)[C@H](C)CC 50179774 573273777 /nfs/dbraw/zinc/27/37/77/573273777.db2.gz RTUIYACFEMVDPW-SECBINFHSA-N 1 1 171.284 2.086 10 0 AEAEMO CC[C@@H](C[N@@H+]1[C@@H](C)CCC[C@H]1C)NC 50166463 573273984 /nfs/dbraw/zinc/27/39/84/573273984.db2.gz QGSQNDQWOXETKR-TUAOUCFPSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H](C[N@H+]1[C@@H](C)CCC[C@H]1C)NC 50166463 573273986 /nfs/dbraw/zinc/27/39/86/573273986.db2.gz QGSQNDQWOXETKR-TUAOUCFPSA-N 1 1 198.354 2.247 10 0 AEAEMO CCCC(F)(F)[C@H](C)[NH2+]C 258617289 573274224 /nfs/dbraw/zinc/27/42/24/573274224.db2.gz WJTLBTNEVASNAR-LURJTMIESA-N 1 1 151.200 2.030 10 0 AEAEMO CCC[N@@H+](CC(=O)CC)C(C)C 50179749 573274258 /nfs/dbraw/zinc/27/42/58/573274258.db2.gz TWAQHDJCIYZHIX-UHFFFAOYSA-N 1 1 171.284 2.086 10 0 AEAEMO CCC(=O)C[N@@H+](C)C1CCC(C)CC1 50179955 573274283 /nfs/dbraw/zinc/27/42/83/573274283.db2.gz LAHZYOVUZMSNDM-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(=O)C[N@@H+](C)[C@H](C)C(C)(C)C 50180091 573274368 /nfs/dbraw/zinc/27/43/68/573274368.db2.gz FGZKBJGVYKWCPB-SECBINFHSA-N 1 1 185.311 2.332 10 0 AEAEMO CCC(=O)C[N@H+](C)C(CC)CC 50179815 573274598 /nfs/dbraw/zinc/27/45/98/573274598.db2.gz FFWXMDUUXJZKFH-UHFFFAOYSA-N 1 1 171.284 2.086 10 0 AEAEMO CC[C@H](C[NH+]1CCCCCCC1)NC 50179148 573274626 /nfs/dbraw/zinc/27/46/26/573274626.db2.gz LASMGDZPXTXKOD-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CCC(=O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C 50180067 573274654 /nfs/dbraw/zinc/27/46/54/573274654.db2.gz QHQJNUSTNVQLDC-CMPLNLGQSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(=O)C[N@H+](CC)[C@@H](C)CC 50179775 573274749 /nfs/dbraw/zinc/27/47/49/573274749.db2.gz RTUIYACFEMVDPW-VIFPVBQESA-N 1 1 171.284 2.086 10 0 AEAEMO CCC(=O)C[N@@H+](CC(C)C)C(C)C 50180053 573274824 /nfs/dbraw/zinc/27/48/24/573274824.db2.gz JADMHWDPMKAEBD-UHFFFAOYSA-N 1 1 185.311 2.332 10 0 AEAEMO CCCC[N@H+]1CCC(=O)CC1(C)C 258618422 573276542 /nfs/dbraw/zinc/27/65/42/573276542.db2.gz BITXXDGETLQHPX-UHFFFAOYSA-N 1 1 183.295 2.230 10 0 AEAEMO CC(C)CC[N@H+]1CC(=O)CCC1(C)C 258618371 573276738 /nfs/dbraw/zinc/27/67/38/573276738.db2.gz BHXVQVVDHWULQX-UHFFFAOYSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@@H](C)C[N@H+]1C[C@H](C)NCC1(C)C 82935301 573291588 /nfs/dbraw/zinc/29/15/88/573291588.db2.gz KMLPVSNCSCNYME-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H]1C[N@H+](C)[C@H](C(C)(C)C)CN1 82935770 573291691 /nfs/dbraw/zinc/29/16/91/573291691.db2.gz KGSDUBLVDUGTQN-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H]1C[N@@H+](C)[C@H](C(C)(C)C)CN1 82935770 573291695 /nfs/dbraw/zinc/29/16/95/573291695.db2.gz KGSDUBLVDUGTQN-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[N@H+]1C[C@@H](C)NC[C@H]1C(C)(C)C 82935559 573291777 /nfs/dbraw/zinc/29/17/77/573291777.db2.gz UPMSKECMISFNSC-MNOVXSKESA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)N1C[C@@H](C)[NH2+]C[C@H]1C(C)(C)C 82935559 573291781 /nfs/dbraw/zinc/29/17/81/573291781.db2.gz UPMSKECMISFNSC-MNOVXSKESA-N 1 1 198.354 2.103 10 0 AEAEMO CCCC[C@H](C)[NH2+]CCNCC1CC1 50890065 573291798 /nfs/dbraw/zinc/29/17/98/573291798.db2.gz GVSXTEYVEVKCIM-NSHDSACASA-N 1 1 198.354 2.154 10 0 AEAEMO CCCC[C@H](C)NCC[NH2+]CC1CC1 50890065 573291802 /nfs/dbraw/zinc/29/18/02/573291802.db2.gz GVSXTEYVEVKCIM-NSHDSACASA-N 1 1 198.354 2.154 10 0 AEAEMO CC[C@]1(C)CN[C@@H](CC(C)C)C[N@@H+]1C 82937325 573291830 /nfs/dbraw/zinc/29/18/30/573291830.db2.gz UUCCXELFGFGQKV-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@]1(C)CN[C@@H](CC(C)C)C[N@H+]1C 82937325 573291836 /nfs/dbraw/zinc/29/18/36/573291836.db2.gz UUCCXELFGFGQKV-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCCC[N@@H+](C)C[C@H](O)CCC 50193302 573291885 /nfs/dbraw/zinc/29/18/85/573291885.db2.gz KSGPBGGPDZVMBJ-LLVKDONJSA-N 1 1 187.327 2.269 10 0 AEAEMO CC[N@@H+](CC(C)(C)O)[C@@H](C)C(C)C 393582102 573291930 /nfs/dbraw/zinc/29/19/30/573291930.db2.gz JYHXFXJZWVEKMU-JTQLQIEISA-N 1 1 187.327 2.124 10 0 AEAEMO CCC1(CC)CN[C@H](C)C[N@H+]1C(C)C 82935429 573291960 /nfs/dbraw/zinc/29/19/60/573291960.db2.gz INODAWAODWHCIZ-LLVKDONJSA-N 1 1 198.354 2.247 10 0 AEAEMO CC(C)[N@H+]1C[C@@H](C)NCC12CCCC2 82935451 573291972 /nfs/dbraw/zinc/29/19/72/573291972.db2.gz YUWQSYCVKKMUGZ-LLVKDONJSA-N 1 1 196.338 2.001 10 0 AEAEMO CC(C)C[C@H]1C[N@H+](C(C)C)[C@@H](C)CN1 82937176 573292024 /nfs/dbraw/zinc/29/20/24/573292024.db2.gz RKLZSCCNCRMJMS-RYUDHWBXSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)C[C@H]1C[N@@H+](C(C)C)[C@@H](C)CN1 82937176 573292027 /nfs/dbraw/zinc/29/20/27/573292027.db2.gz RKLZSCCNCRMJMS-RYUDHWBXSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@@]1(C)CN[C@@H](C(C)(C)C)C[N@H+]1C 82937124 573292038 /nfs/dbraw/zinc/29/20/38/573292038.db2.gz XKXINBQKSHYTBB-PWSUYJOCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@]1(C)C[NH2+][C@@H](C(C)(C)C)CN1C 82937124 573292043 /nfs/dbraw/zinc/29/20/43/573292043.db2.gz XKXINBQKSHYTBB-PWSUYJOCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)c1ccc([C@H]([NH3+])CN)cc1 259071256 573292062 /nfs/dbraw/zinc/29/20/62/573292062.db2.gz NKSMIOJVUCZMJU-JOYOIKCWSA-N 1 1 192.306 2.159 10 0 AEAEMO CCC[C@@H]1CNC(C)(C)C[N@H+]1C(C)C 82936156 573294879 /nfs/dbraw/zinc/29/48/79/573294879.db2.gz AWFQYOCDZXRONJ-LLVKDONJSA-N 1 1 198.354 2.247 10 0 AEAEMO C[N@H+]1C(C)(C)C[C@@H](O)C(C)(C)C1(C)C 238325234 573294406 /nfs/dbraw/zinc/29/44/06/573294406.db2.gz VNUYCGJKFMAXOV-SECBINFHSA-N 1 1 199.338 2.266 10 0 AEAEMO CC[C@@H](C)[C@H]1CNC(C)(C)C[N@H+]1CC 82936196 573294487 /nfs/dbraw/zinc/29/44/87/573294487.db2.gz ZGMDXXFLIUQDNI-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC1(CC)CN[C@@H](C)C[N@H+]1C(C)C 82935430 573294497 /nfs/dbraw/zinc/29/44/97/573294497.db2.gz INODAWAODWHCIZ-NSHDSACASA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H](C)C[N@H+]1C[C@H](C)NCC1(C)C 82935302 573294508 /nfs/dbraw/zinc/29/45/08/573294508.db2.gz KMLPVSNCSCNYME-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[N@H+]1C[C@@H](C(C)(C)C)NC[C@@H]1C 82936940 573294522 /nfs/dbraw/zinc/29/45/22/573294522.db2.gz OLCKSNRGIQKVKL-QWRGUYRKSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)N1C[C@@H](C(C)(C)C)[NH2+]C[C@@H]1C 82936940 573294528 /nfs/dbraw/zinc/29/45/28/573294528.db2.gz OLCKSNRGIQKVKL-QWRGUYRKSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@H]1C[N@@H+](C)C2(CCCCC2)CN1 82936902 573294542 /nfs/dbraw/zinc/29/45/42/573294542.db2.gz COIUBQIMZYADOZ-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H]1CN(C)C2(CCCCC2)C[NH2+]1 82936902 573294545 /nfs/dbraw/zinc/29/45/45/573294545.db2.gz COIUBQIMZYADOZ-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC(C)[N@H+]1C[C@H](C)NC[C@H]1C(C)(C)C 82935560 573294573 /nfs/dbraw/zinc/29/45/73/573294573.db2.gz UPMSKECMISFNSC-QWRGUYRKSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)N1C[C@H](C)[NH2+]C[C@H]1C(C)(C)C 82935560 573294579 /nfs/dbraw/zinc/29/45/79/573294579.db2.gz UPMSKECMISFNSC-QWRGUYRKSA-N 1 1 198.354 2.103 10 0 AEAEMO CCC[N@H+]1CC(C)(C)NC[C@]1(C)CC 82936331 573294685 /nfs/dbraw/zinc/29/46/85/573294685.db2.gz CDXWIHVIOWPGFY-LBPRGKRZSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H](C)[C@@H]1CNC(C)(C)C[N@H+]1CC 82936195 573294698 /nfs/dbraw/zinc/29/46/98/573294698.db2.gz ZGMDXXFLIUQDNI-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@]1(C)CN[C@@H](C(C)(C)C)C[N@H+]1C 82937123 573294844 /nfs/dbraw/zinc/29/48/44/573294844.db2.gz XKXINBQKSHYTBB-ZYHUDNBSSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@]1(C)C[NH2+][C@@H](C(C)(C)C)CN1C 82937123 573294848 /nfs/dbraw/zinc/29/48/48/573294848.db2.gz XKXINBQKSHYTBB-ZYHUDNBSSA-N 1 1 198.354 2.105 10 0 AEAEMO C[N@H+]1CC(C)(C)NCC12CCCCC2 82936367 573296175 /nfs/dbraw/zinc/29/61/75/573296175.db2.gz LAADRFKYJDGNQP-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO CC(C)C[C@@H]1C[N@H+](C(C)C)[C@@H](C)CN1 82937174 573295631 /nfs/dbraw/zinc/29/56/31/573295631.db2.gz RKLZSCCNCRMJMS-NWDGAFQWSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)C[C@@H]1C[N@@H+](C(C)C)[C@@H](C)CN1 82937174 573295636 /nfs/dbraw/zinc/29/56/36/573295636.db2.gz RKLZSCCNCRMJMS-NWDGAFQWSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[N@H+]1C[C@H](C(C)C)NC[C@@]1(C)CC 82935990 573295649 /nfs/dbraw/zinc/29/56/49/573295649.db2.gz YANBODBUJQQQET-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CCN1C[C@H](C(C)C)[NH2+]C[C@@]1(C)CC 82935990 573295654 /nfs/dbraw/zinc/29/56/54/573295654.db2.gz YANBODBUJQQQET-VXGBXAGGSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@H+]1C[C@H](C)NCC12CCCCC2 82935475 573295664 /nfs/dbraw/zinc/29/56/64/573295664.db2.gz AKFFESNAJRSZFQ-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[N@H+]1CC(C)(C)NCC12CCCC2 82936354 573295776 /nfs/dbraw/zinc/29/57/76/573295776.db2.gz PLLXMJAWJQAYFK-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO CC(C)C[C@@H]1C[N@H+](C(C)C)[C@H](C)CN1 82937173 573295799 /nfs/dbraw/zinc/29/57/99/573295799.db2.gz RKLZSCCNCRMJMS-VXGBXAGGSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)C[C@@H]1C[N@@H+](C(C)C)[C@H](C)CN1 82937173 573295802 /nfs/dbraw/zinc/29/58/02/573295802.db2.gz RKLZSCCNCRMJMS-VXGBXAGGSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)(C)[N@H+]1C[C@@H](CCO)CC1(C)C 259407823 573295996 /nfs/dbraw/zinc/29/59/96/573295996.db2.gz MSTCGGLWPSACJN-JTQLQIEISA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@H]1CN[C@H](C(C)(C)C)C[N@H+]1C 82937034 573298234 /nfs/dbraw/zinc/29/82/34/573298234.db2.gz ACTQIIGLIYOIBL-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1C 82937034 573298237 /nfs/dbraw/zinc/29/82/37/573298237.db2.gz ACTQIIGLIYOIBL-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@]1(C)CNC(C)(C)C[N@H+]1C(C)C 82936326 573298309 /nfs/dbraw/zinc/29/83/09/573298309.db2.gz ZWYQDKRKRSYVLW-GFCCVEGCSA-N 1 1 198.354 2.247 10 0 AEAEMO CCCC[N@H+]1CCNC[C@@H]1[C@@H](C)CC 82934569 573298394 /nfs/dbraw/zinc/29/83/94/573298394.db2.gz OQQQXDSYBISBST-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO Cc1cc(N)cc(-n2cc[nH+]c2C)c1 74278946 573298468 /nfs/dbraw/zinc/29/84/68/573298468.db2.gz BWMDNRCZEQMVEV-UHFFFAOYSA-N 1 1 187.246 2.071 10 0 AEAEMO CCCCC[N@@H+](C)[C@@]1(CN)CC[C@@H]1C 308542180 573298960 /nfs/dbraw/zinc/29/89/60/573298960.db2.gz OIMOJUBOBFAGDX-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[C@H](C)[N@H+]1CCNC[C@H](C)C1 50890853 573298987 /nfs/dbraw/zinc/29/89/87/573298987.db2.gz MQZHXSMDONEJGF-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC1(CC)C[N@@H+](C)[C@H](C(C)C)CN1 82938620 573298991 /nfs/dbraw/zinc/29/89/91/573298991.db2.gz NXQHYHPFFTZQNK-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CCCC[C@H](C)N1CC[NH2+]C[C@H](C)C1 50890853 573298992 /nfs/dbraw/zinc/29/89/92/573298992.db2.gz MQZHXSMDONEJGF-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC1(CC)CN(C)[C@H](C(C)C)C[NH2+]1 82938620 573298997 /nfs/dbraw/zinc/29/89/97/573298997.db2.gz NXQHYHPFFTZQNK-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CCC1(CC)C[N@@H+](C)[C@](C)(CC)CN1 82938685 573299097 /nfs/dbraw/zinc/29/90/97/573299097.db2.gz UBILCSGXLUILQZ-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC1(CC)CN(C)[C@](C)(CC)C[NH2+]1 82938685 573299100 /nfs/dbraw/zinc/29/91/00/573299100.db2.gz UBILCSGXLUILQZ-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)(C)[N@H+]1C[C@H](CCO)CC1(C)C 259407826 573299227 /nfs/dbraw/zinc/29/92/27/573299227.db2.gz MSTCGGLWPSACJN-SNVBAGLBSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCCC[N@@H+](C)[C@]1(CN)CC[C@@H]1C 308542181 573299271 /nfs/dbraw/zinc/29/92/71/573299271.db2.gz OIMOJUBOBFAGDX-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@]1(C)C[N@@H+](C)C2(CCCC2)CN1 82937950 573302573 /nfs/dbraw/zinc/30/25/73/573302573.db2.gz SGTHGTBBMKDDHF-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@@]1(C)CN(C)C2(CCCC2)C[NH2+]1 82937950 573302576 /nfs/dbraw/zinc/30/25/76/573302576.db2.gz SGTHGTBBMKDDHF-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@@]1(C)CNC2(CCCC2)C[N@H+]1C 82938087 573302914 /nfs/dbraw/zinc/30/29/14/573302914.db2.gz KUZCDAMOJJWMJD-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@@]1(C)C[NH2+]C2(CCCC2)CN1C 82938087 573302921 /nfs/dbraw/zinc/30/29/21/573302921.db2.gz KUZCDAMOJJWMJD-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CCC[N@H+]1CC2(CCCC2)NC[C@H]1C 82937984 573302943 /nfs/dbraw/zinc/30/29/43/573302943.db2.gz UOWRTTJVBDKAPK-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CCCN1CC2(CCCC2)[NH2+]C[C@H]1C 82937984 573302945 /nfs/dbraw/zinc/30/29/45/573302945.db2.gz UOWRTTJVBDKAPK-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CCC[N@H+]1C[C@](C)(CC)NCC1(C)C 82937902 573303042 /nfs/dbraw/zinc/30/30/42/573303042.db2.gz NRIVMVWJVJXPDB-LBPRGKRZSA-N 1 1 198.354 2.249 10 0 AEAEMO CCCN1C[C@](C)(CC)[NH2+]CC1(C)C 82937902 573303047 /nfs/dbraw/zinc/30/30/47/573303047.db2.gz NRIVMVWJVJXPDB-LBPRGKRZSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@H]1CNC2(CCCC2)C[N@H+]1C 82938022 573303068 /nfs/dbraw/zinc/30/30/68/573303068.db2.gz XWXBPYDJIGMDSB-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CCC[C@H]1C[NH2+]C2(CCCC2)CN1C 82938022 573303072 /nfs/dbraw/zinc/30/30/72/573303072.db2.gz XWXBPYDJIGMDSB-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[N@H+]1C[C@](C)(CC)NC[C@H]1C(C)C 82937808 573303179 /nfs/dbraw/zinc/30/31/79/573303179.db2.gz WUNMHCKEDNHSDJ-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CCN1C[C@](C)(CC)[NH2+]C[C@H]1C(C)C 82937808 573303183 /nfs/dbraw/zinc/30/31/83/573303183.db2.gz WUNMHCKEDNHSDJ-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@]1(C)C[N@@H+](C)[C@H](CC(C)C)CN1 82937846 573303323 /nfs/dbraw/zinc/30/33/23/573303323.db2.gz UQTZYGQSATZRPE-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@]1(C)CN(C)[C@H](CC(C)C)C[NH2+]1 82937846 573303329 /nfs/dbraw/zinc/30/33/29/573303329.db2.gz UQTZYGQSATZRPE-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[C@@H]1C[N@H+](CC)C(C)(C)CN1 82937579 573303344 /nfs/dbraw/zinc/30/33/44/573303344.db2.gz UQHQVBQJWIRCIC-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[C@@H]1C[N@@H+](CC)C(C)(C)CN1 82937579 573303353 /nfs/dbraw/zinc/30/33/53/573303353.db2.gz UQHQVBQJWIRCIC-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@@H]1C[N@H+](CC)C(C)(C)CN1 82937580 573303438 /nfs/dbraw/zinc/30/34/38/573303438.db2.gz UQHQVBQJWIRCIC-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[C@@H]1C[N@@H+](CC)C(C)(C)CN1 82937580 573303445 /nfs/dbraw/zinc/30/34/45/573303445.db2.gz UQHQVBQJWIRCIC-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO C[NH2+][C@@H]1SCCc2ccccc21 238339071 573303483 /nfs/dbraw/zinc/30/34/83/573303483.db2.gz RWKOQMBRDPRLHX-SNVBAGLBSA-N 1 1 179.288 2.194 10 0 AEAEMO CC[C@H](C)C[C@](CC)(CN)[NH+]1CCC1 308547273 573313317 /nfs/dbraw/zinc/31/33/17/573313317.db2.gz QDIPYGAJLYLXMH-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@@H]1CC[NH2+]C2(CCCCC2)C[N@H+]1C 82942724 573313443 /nfs/dbraw/zinc/31/34/43/573313443.db2.gz LFXJYFIFPSOBRC-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[N@H+]1CC2(CCCC2)[NH2+]CC[C@H]1C 82943130 573313581 /nfs/dbraw/zinc/31/35/81/573313581.db2.gz AXZQWZCSLUHPIV-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO Cc1[nH]c(-c2cccc(F)c2)c(N)[nH+]1 106777715 573313668 /nfs/dbraw/zinc/31/36/68/573313668.db2.gz VIUBALDDAMKNES-UHFFFAOYSA-N 1 1 191.209 2.106 10 0 AEAEMO CC1([N@H+]2CC[C@@H](CO)C2)CCCCC1 82946464 573314660 /nfs/dbraw/zinc/31/46/60/573314660.db2.gz MGXZKDZKMYJCKX-LLVKDONJSA-N 1 1 197.322 2.023 10 0 AEAEMO CCC[N@H+]1C[C@@H](C(C)C)NCC[C@@H]1C 82942281 573314675 /nfs/dbraw/zinc/31/46/75/573314675.db2.gz UUIHSTWQPMEILQ-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)CC(C)(C)[N@H+]1CCNC[C@H]1C 106876263 573324222 /nfs/dbraw/zinc/32/42/22/573324222.db2.gz ZWPMTMQFQVRVSD-LLVKDONJSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC(=O)[C@H](C)[N@H+]1CCC[C@H](C)CC1 82953638 573324246 /nfs/dbraw/zinc/32/42/46/573324246.db2.gz CZIQHOAUTUCUNM-QWRGUYRKSA-N 1 1 197.322 2.476 10 0 AEAEMO C[C@H]1[C@H](C)CCC[N@@H+]1CCC[C@@H](C)O 224721362 573324317 /nfs/dbraw/zinc/32/43/17/573324317.db2.gz KRNWEBOZPGQTHT-UTUOFQBUSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H]1CC[N@@H+](CCC(C)(C)O)[C@H](C)C1 86234219 573324845 /nfs/dbraw/zinc/32/48/45/573324845.db2.gz GQFPSTSMIBPNKY-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCCCC[C@]1(O)C[C@H](C)[N@@H+](C)C1 132603984 573325125 /nfs/dbraw/zinc/32/51/25/573325125.db2.gz QLKSSICXQVRDTP-RYUDHWBXSA-N 1 1 199.338 2.412 10 0 AEAEMO CC[C@@](C)([C@H](C)N)[N@@H+](C)CC1CCC1 308553624 573325570 /nfs/dbraw/zinc/32/55/70/573325570.db2.gz RDEGJIGTTDNNBB-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CC1(C)C(=O)CCC[N@H+]1C1CCCC1 259417578 573325572 /nfs/dbraw/zinc/32/55/72/573325572.db2.gz NFLYEDMHZYRPKM-UHFFFAOYSA-N 1 1 195.306 2.373 10 0 AEAEMO CC[C@@](C)([C@@H](C)N)[N@@H+](C)CC1CCC1 308553625 573325895 /nfs/dbraw/zinc/32/58/95/573325895.db2.gz RDEGJIGTTDNNBB-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCCC[C@@]1(O)C[C@@H](C)[N@@H+](C)C1 132604615 573325987 /nfs/dbraw/zinc/32/59/87/573325987.db2.gz QLKSSICXQVRDTP-VXGBXAGGSA-N 1 1 199.338 2.412 10 0 AEAEMO C[N@H+]1CC[C@@H](c2ccc(F)c(F)c2)C1 117211586 573326097 /nfs/dbraw/zinc/32/60/97/573326097.db2.gz QDXUCQPDXXXLPM-SECBINFHSA-N 1 1 197.228 2.384 10 0 AEAEMO CC[C@@H](C)[N@@H+](CCN)CC1CCCC1 308550164 573326993 /nfs/dbraw/zinc/32/69/93/573326993.db2.gz RKSGFCDAQNANCU-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@H]([NH3+])C(F)(F)c1cccs1 259082976 573328669 /nfs/dbraw/zinc/32/86/69/573328669.db2.gz INYTXNYJMQJHAK-YFKPBYRVSA-N 1 1 177.219 2.187 10 0 AEAEMO CCc1[nH]c(C[NH2+]CC(C)C)nc1C 129522971 573329418 /nfs/dbraw/zinc/32/94/18/573329418.db2.gz GGEPNZRIZPEOET-UHFFFAOYSA-N 1 1 195.310 2.026 10 0 AEAEMO CC1(C)C([NH2+]CC(F)F)C1(C)C 86240258 573329633 /nfs/dbraw/zinc/32/96/33/573329633.db2.gz PSYKVBPVUCQYLW-UHFFFAOYSA-N 1 1 177.238 2.276 10 0 AEAEMO CCCC1(c2cnc(C[NH2+]C)o2)CC1 308549744 573329689 /nfs/dbraw/zinc/32/96/89/573329689.db2.gz RGVDBXRLJRQZKV-UHFFFAOYSA-N 1 1 194.278 2.226 10 0 AEAEMO CCCC[N@@H+](CC)[C@]1(CN)CC[C@H]1C 308550515 573329907 /nfs/dbraw/zinc/32/99/07/573329907.db2.gz RNRJIUHDNNECOV-NEPJUHHUSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H]1CC[N@H+]([C@@](C)(CC)[C@H](C)N)C1 308549497 573330040 /nfs/dbraw/zinc/33/00/40/573330040.db2.gz PKGOPSIVYCLXIG-TUAOUCFPSA-N 1 1 198.354 2.234 10 0 AEAEMO CC1(C)C[C@@H](O)C[N@H+]1CC1CCCC1 258630710 573330075 /nfs/dbraw/zinc/33/00/75/573330075.db2.gz CEAQSRVIEUIOPL-LLVKDONJSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)CCc1cccc(N)[nH+]1 74340201 573331195 /nfs/dbraw/zinc/33/11/95/573331195.db2.gz HBJAYLQPHMGMMT-UHFFFAOYSA-N 1 1 164.252 2.252 10 0 AEAEMO C[C@@H]([NH3+])C(F)(F)c1cccs1 259082975 573331257 /nfs/dbraw/zinc/33/12/57/573331257.db2.gz INYTXNYJMQJHAK-RXMQYKEDSA-N 1 1 177.219 2.187 10 0 AEAEMO CC[C@@H]1CC[N@H+]([C@](C)(CC)[C@@H](C)N)C1 308549495 573331475 /nfs/dbraw/zinc/33/14/75/573331475.db2.gz PKGOPSIVYCLXIG-IJLUTSLNSA-N 1 1 198.354 2.234 10 0 AEAEMO Nc1cc2c(c[nH+]1)[nH]c1ccc(O)cc12 258003154 573331786 /nfs/dbraw/zinc/33/17/86/573331786.db2.gz GNMNLQXLBJCVKU-UHFFFAOYSA-N 1 1 199.213 2.004 10 0 AEAEMO CCC(C)(C)[C@@H](N)C[N@H+]1CCC[C@@H]1C 393662019 573334350 /nfs/dbraw/zinc/33/43/50/573334350.db2.gz WQCVGVGWOAYQNG-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1CCOC(F)(F)F 308345632 573334424 /nfs/dbraw/zinc/33/44/24/573334424.db2.gz VBWAGGMTPOCHRL-KNVOCYPGSA-N 1 1 197.200 2.006 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC(=O)CC1(C)C 259422061 573334564 /nfs/dbraw/zinc/33/45/64/573334564.db2.gz NLEZESMOULDSHL-VIFPVBQESA-N 1 1 183.295 2.228 10 0 AEAEMO CCC(C)(C)[C@@H](N)C[N@H+]1CCC[C@H]1C 393662017 573334586 /nfs/dbraw/zinc/33/45/86/573334586.db2.gz WQCVGVGWOAYQNG-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO Cc1[nH+]c2c(N)ccc(Cl)n2c1C 74375703 573334642 /nfs/dbraw/zinc/33/46/42/573334642.db2.gz XWFKYBAXOQAXFC-UHFFFAOYSA-N 1 1 195.653 2.187 10 0 AEAEMO CN[C@@H](C[NH3+])c1ccc(C(C)C)cc1 50269859 573334754 /nfs/dbraw/zinc/33/47/54/573334754.db2.gz KCIUZPCKPXDTOE-LBPRGKRZSA-N 1 1 192.306 2.029 10 0 AEAEMO Cc1[nH+]c2c(N)c(Cl)ccn2c1C 74377360 573334893 /nfs/dbraw/zinc/33/48/93/573334893.db2.gz AJYMXXLPRFBCQY-UHFFFAOYSA-N 1 1 195.653 2.187 10 0 AEAEMO CC(C)C[C@@H](C)NC[C@@]1(C)CCC[NH2+]1 308559709 573337840 /nfs/dbraw/zinc/33/78/40/573337840.db2.gz WMXODLABPYWSRI-VXGBXAGGSA-N 1 1 198.354 2.153 10 0 AEAEMO CCC[C@H]1CNC2(CCCCC2)C[NH2+]1 82960671 573338349 /nfs/dbraw/zinc/33/83/49/573338349.db2.gz CFQDPEHKQOKEPI-NSHDSACASA-N 1 1 196.338 2.051 10 0 AEAEMO CCC[N@@H+](CC)[C@H](CN)C1CCCC1 50272137 573342246 /nfs/dbraw/zinc/34/22/46/573342246.db2.gz AKJQEJFPIDLRRD-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CCc1ccc2c(c1)C[N@H+](C)CC2 74448240 573342328 /nfs/dbraw/zinc/34/23/28/573342328.db2.gz BDRLQBFHNLAAPU-UHFFFAOYSA-N 1 1 175.275 2.237 10 0 AEAEMO CC[NH2+]C[C@H]1CCCN1C1CCCC1 129581578 573342429 /nfs/dbraw/zinc/34/24/29/573342429.db2.gz TXQZLWVQVDRXGF-GFCCVEGCSA-N 1 1 196.338 2.003 10 0 AEAEMO CCC[N@@H+](CC)[C@H](CN)[C@]1(C)C[C@H]1C 714674256 573342703 /nfs/dbraw/zinc/34/27/03/573342703.db2.gz ABJSWLRGCCRTQI-IJLUTSLNSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@](C)([C@H](C)O)[N@@H+](C)CC1CCC1 308556761 573347111 /nfs/dbraw/zinc/34/71/11/573347111.db2.gz SSUASGIYURDLKX-CMPLNLGQSA-N 1 1 199.338 2.268 10 0 AEAEMO Cc1ccc([C@@H](C[NH3+])NC(C)C)s1 50270971 573347169 /nfs/dbraw/zinc/34/71/69/573347169.db2.gz NYFWTYQFIYFTNT-SECBINFHSA-N 1 1 198.335 2.054 10 0 AEAEMO CC(C)C(=O)C[N@H+]1CC[C@H](C)C[C@H]1C 86276634 573347257 /nfs/dbraw/zinc/34/72/57/573347257.db2.gz KPXMDPPGADTGGD-WDEREUQCSA-N 1 1 197.322 2.332 10 0 AEAEMO CCC[N@@H+](CC)[C@@H](CN)C1CCCC1 50272136 573347297 /nfs/dbraw/zinc/34/72/97/573347297.db2.gz AKJQEJFPIDLRRD-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(C)C(=O)C[N@H+]1C[C@@H](C)CC[C@@H]1C 86276739 573347389 /nfs/dbraw/zinc/34/73/89/573347389.db2.gz MUCQWXOUOQISPS-QWRGUYRKSA-N 1 1 197.322 2.332 10 0 AEAEMO CC(C)C(=O)C[N@H+]1C[C@@H](C)C[C@@H](C)C1 86276283 573347507 /nfs/dbraw/zinc/34/75/07/573347507.db2.gz WEHICFZVHHAUTE-PHIMTYICSA-N 1 1 197.322 2.189 10 0 AEAEMO CC(C)C(=O)C[N@H+]1[C@@H](C)CCC[C@H]1C 86276309 573347531 /nfs/dbraw/zinc/34/75/31/573347531.db2.gz SLADFMSLXMRFNQ-PHIMTYICSA-N 1 1 197.322 2.474 10 0 AEAEMO CC(C)C(=O)C[N@H+]1CCCC[C@@H]1C 86276292 573347627 /nfs/dbraw/zinc/34/76/27/573347627.db2.gz GIWVICDRDHDQKA-JTQLQIEISA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)CC[N@H+]1CCC(C)(C)[C@@H](O)C1 258636817 573347632 /nfs/dbraw/zinc/34/76/32/573347632.db2.gz CQZWOTXJPNEKBS-NSHDSACASA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)C(=O)C[N@H+]1CCC[C@H](C)CC1 86276691 573347698 /nfs/dbraw/zinc/34/76/98/573347698.db2.gz NWWBDAJJNKPEMB-NSHDSACASA-N 1 1 197.322 2.334 10 0 AEAEMO CC(C)C(=O)C[N@H+]1CCCCC[C@@H]1C 86276716 573347967 /nfs/dbraw/zinc/34/79/67/573347967.db2.gz SPNJZTSJGIADLI-NSHDSACASA-N 1 1 197.322 2.476 10 0 AEAEMO CCC[N@@H+](C)[C@@H](C)C[C@H]1CCOC1 308360741 573348325 /nfs/dbraw/zinc/34/83/25/573348325.db2.gz MDDOCRNYFVGPJU-WDEREUQCSA-N 1 1 185.311 2.143 10 0 AEAEMO CC[C@](C)([C@@H](C)O)[N@@H+](C)CC1CCC1 308556764 573348439 /nfs/dbraw/zinc/34/84/39/573348439.db2.gz SSUASGIYURDLKX-ZYHUDNBSSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)C(=O)C[N@H+]1C[C@H](C)CC[C@@H]1C 86276738 573348486 /nfs/dbraw/zinc/34/84/86/573348486.db2.gz MUCQWXOUOQISPS-MNOVXSKESA-N 1 1 197.322 2.332 10 0 AEAEMO CCC[N@@H+](CC(C)(C)O)[C@H](C)CC 308362770 573357205 /nfs/dbraw/zinc/35/72/05/573357205.db2.gz MURGIQHHRRZQRR-SNVBAGLBSA-N 1 1 187.327 2.268 10 0 AEAEMO CCCC[N@H+]1CCC(=O)[C@@H](C)[C@@H]1C 86302955 573357394 /nfs/dbraw/zinc/35/73/94/573357394.db2.gz MGRJLJICTOYJGN-UWVGGRQHSA-N 1 1 183.295 2.086 10 0 AEAEMO CCCCCC[N@H+]1CC[C@H](O)C1(C)C 308561022 573357846 /nfs/dbraw/zinc/35/78/46/573357846.db2.gz FETIVQOSXXZXMQ-NSHDSACASA-N 1 1 199.338 2.412 10 0 AEAEMO C[C@@H](C[NH3+])[C@@H](C)[N@H+]1CCCC(C)(C)C1 86312688 573357920 /nfs/dbraw/zinc/35/79/20/573357920.db2.gz SDEPJWISXMEQDK-WDEREUQCSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[N@@H+](C)CCOCCC(C)C 308363729 573361503 /nfs/dbraw/zinc/36/15/03/573361503.db2.gz GFFLUPFFVDYAJW-UHFFFAOYSA-N 1 1 173.300 2.001 10 0 AEAEMO CC(C)CC[N@@H+](C)[C@@]1(CN)CC[C@H]1C 308562720 573361530 /nfs/dbraw/zinc/36/15/30/573361530.db2.gz YKCOCRAYGVQEDW-VXGBXAGGSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC[N@@H+](C[C@@H](C)O)C1CCCC1 308364265 573361534 /nfs/dbraw/zinc/36/15/34/573361534.db2.gz NINPWXZONDKNGR-SNVBAGLBSA-N 1 1 185.311 2.022 10 0 AEAEMO CC[C@H](F)C[N@@H+](CC)C[C@H](C)OC 308367730 573362143 /nfs/dbraw/zinc/36/21/43/573362143.db2.gz OVXUYPWTJQOGRA-UWVGGRQHSA-N 1 1 191.290 2.091 10 0 AEAEMO C/C=C\C[N@H+](CC)C[C@@H]1CCCO1 308369388 573366132 /nfs/dbraw/zinc/36/61/32/573366132.db2.gz PQJNQVAKEFLEEZ-MZBZXASESA-N 1 1 183.295 2.063 10 0 AEAEMO CC[C@@H](F)C[N@@H+](CC)[C@@H](C)COC 308374014 573370301 /nfs/dbraw/zinc/37/03/01/573370301.db2.gz RIVVDTUEDXYKDA-VHSXEESVSA-N 1 1 191.290 2.091 10 0 AEAEMO CC[C@H](F)C[N@@H+](CC)[C@@H](C)COC 308374011 573371238 /nfs/dbraw/zinc/37/12/38/573371238.db2.gz RIVVDTUEDXYKDA-UWVGGRQHSA-N 1 1 191.290 2.091 10 0 AEAEMO CCCC[N@@H+]1[C@H](CN)C[C@H](C)C[C@H]1C 308565081 573378888 /nfs/dbraw/zinc/37/88/88/573378888.db2.gz XZPMEORCAVKALJ-UTUOFQBUSA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]1[C@@H](N)CC[N@@H+]1CCCC(C)(C)C 308565718 573379226 /nfs/dbraw/zinc/37/92/26/573379226.db2.gz APXSVSPGRAKYCR-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]1[C@@H](N)CC[N@H+]1CCCC(C)(C)C 308565718 573379230 /nfs/dbraw/zinc/37/92/30/573379230.db2.gz APXSVSPGRAKYCR-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO C[C@@H]1[C@@H]([NH3+])CCN1CCCC(C)(C)C 308565718 573379234 /nfs/dbraw/zinc/37/92/34/573379234.db2.gz APXSVSPGRAKYCR-MNOVXSKESA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)[N@@H+](CCN)C1CCCCCC1 107141982 573379309 /nfs/dbraw/zinc/37/93/09/573379309.db2.gz GZTDNAHYHYTCIO-UHFFFAOYSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[C@H](C)[N@H+]1CCNC2(CCCC2)C1 83059612 573379496 /nfs/dbraw/zinc/37/94/96/573379496.db2.gz GVFUWNNXUKFFQK-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H](C)N1CC[NH2+]C2(CCCC2)C1 83059612 573379504 /nfs/dbraw/zinc/37/95/04/573379504.db2.gz GVFUWNNXUKFFQK-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC(C)C[C@H]1C[N@H+](C(C)(C)C)CCN1 83059375 573379636 /nfs/dbraw/zinc/37/96/36/573379636.db2.gz DLYOMTPCVXIZKM-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[C@H]1CN(C(C)(C)C)CC[NH2+]1 83059375 573379641 /nfs/dbraw/zinc/37/96/41/573379641.db2.gz DLYOMTPCVXIZKM-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@@H+](C)CCCc1csc(C)n1 308378234 573379829 /nfs/dbraw/zinc/37/98/29/573379829.db2.gz TXLRKZSQFJPDPL-UHFFFAOYSA-N 1 1 198.335 2.336 10 0 AEAEMO CCC[C@H]1CN(C)CC[C@@H]1[NH2+]C(C)C 308565773 573379849 /nfs/dbraw/zinc/37/98/49/573379849.db2.gz APZZLKOWLCDQLI-RYUDHWBXSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[C@H]1C[N@H+](C(C)(C)C)CCN1 83059339 573379889 /nfs/dbraw/zinc/37/98/89/573379889.db2.gz DUEPGLGXJIDEMT-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[C@H]1CN(C(C)(C)C)CC[NH2+]1 83059339 573379897 /nfs/dbraw/zinc/37/98/97/573379897.db2.gz DUEPGLGXJIDEMT-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[N@H+]1CCC[C@H]1C/C=C\CCO 258018647 573379974 /nfs/dbraw/zinc/37/99/74/573379974.db2.gz BLTLEAKLWQOQQF-VSQXVHSFSA-N 1 1 197.322 2.188 10 0 AEAEMO CC[C@H](C)[N@H+]1CCN[C@H](C(C)(C)C)C1 83059636 573380069 /nfs/dbraw/zinc/38/00/69/573380069.db2.gz WMFKYHMZUFIDMU-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)N1CC[NH2+][C@H](C(C)(C)C)C1 83059636 573380075 /nfs/dbraw/zinc/38/00/75/573380075.db2.gz WMFKYHMZUFIDMU-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)NCC[NH2+]C[C@@H](C)C1CC1 133213124 573383856 /nfs/dbraw/zinc/38/38/56/573383856.db2.gz TWAWLIWBSNFLIX-GHMZBOCLSA-N 1 1 198.354 2.010 10 0 AEAEMO CC[C@@H](C)[NH2+]CCNC[C@@H](C)C1CC1 133213124 573383863 /nfs/dbraw/zinc/38/38/63/573383863.db2.gz TWAWLIWBSNFLIX-GHMZBOCLSA-N 1 1 198.354 2.010 10 0 AEAEMO CC[C@]1(C)C[N@H+]([C@@H](C)C(C)C)CCN1 83060216 573384009 /nfs/dbraw/zinc/38/40/09/573384009.db2.gz HIILXFBSUZWBFJ-NWDGAFQWSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@@H+](CC1CC1)[C@@](C)(CC)[C@@H](C)N 308566439 573384051 /nfs/dbraw/zinc/38/40/51/573384051.db2.gz YQCYXDQWDFJXCX-PWSUYJOCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C)[C@@H]1C[N@H+](C(C)(C)C)CCN1 83059335 573384104 /nfs/dbraw/zinc/38/41/04/573384104.db2.gz DUEPGLGXJIDEMT-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](C)[C@@H]1CN(C(C)(C)C)CC[NH2+]1 83059335 573384112 /nfs/dbraw/zinc/38/41/12/573384112.db2.gz DUEPGLGXJIDEMT-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CC[N@@H+](CC1CC1)[C@](C)(CC)C(C)=O 308567541 573384234 /nfs/dbraw/zinc/38/42/34/573384234.db2.gz ZDSQYPDJJIMLPW-GFCCVEGCSA-N 1 1 197.322 2.476 10 0 AEAEMO CCCC[C@@H](N)C[NH2+]C[C@H](C)C1CC1 133214517 573384238 /nfs/dbraw/zinc/38/42/38/573384238.db2.gz BMSZAVOJFHMTPF-CMPLNLGQSA-N 1 1 198.354 2.140 10 0 AEAEMO CC(C)(C)[C@@H]1C[N@H+](C(C)(C)C)CCN1 83059352 573384403 /nfs/dbraw/zinc/38/44/03/573384403.db2.gz QOFMYSOAQGPEHZ-JTQLQIEISA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)(C)[C@@H]1CN(C(C)(C)C)CC[NH2+]1 83059352 573384411 /nfs/dbraw/zinc/38/44/11/573384411.db2.gz QOFMYSOAQGPEHZ-JTQLQIEISA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CC(C)(C)NC[C@@H]1C 83088147 573386520 /nfs/dbraw/zinc/38/65/20/573386520.db2.gz NEGGHWKNDGLGGB-MNOVXSKESA-N 1 1 198.354 2.247 10 0 AEAEMO C[C@H]1C[N@H+](C2(C)CCCCC2)CCN1 83063414 573386535 /nfs/dbraw/zinc/38/65/35/573386535.db2.gz BKCMVURATAPYDI-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@@H]1CN[C@H](C)C[N@H+]1CC(C)(C)C 83085615 573385778 /nfs/dbraw/zinc/38/57/78/573385778.db2.gz DAICRZQOMGWASV-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1C[NH2+][C@H](C)CN1CC(C)(C)C 83085615 573385781 /nfs/dbraw/zinc/38/57/81/573385781.db2.gz DAICRZQOMGWASV-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CNCC[N@H+]1C1(C)CCCC1 83087755 573385961 /nfs/dbraw/zinc/38/59/61/573385961.db2.gz KTHSKQUZYZAZLZ-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC(C)[C@H]1C[N@H+](C(C)(C)C)[C@@H](C)CN1 83085013 573385974 /nfs/dbraw/zinc/38/59/74/573385974.db2.gz WKUUVHGQCMDONR-WDEREUQCSA-N 1 1 198.354 2.103 10 0 AEAEMO CC(C)[C@H]1CN(C(C)(C)C)[C@@H](C)C[NH2+]1 83085013 573385980 /nfs/dbraw/zinc/38/59/80/573385980.db2.gz WKUUVHGQCMDONR-WDEREUQCSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@](C)(C(C)=O)[N@@H+](C)C[C@H]1C[C@@H]1C 308566355 573386059 /nfs/dbraw/zinc/38/60/59/573386059.db2.gz YMBAXEBUBJKLEA-MVWJERBFSA-N 1 1 197.322 2.332 10 0 AEAEMO CC[C@H](C)NCC[NH2+]C[C@@H](C)C1CC1 133213286 573386080 /nfs/dbraw/zinc/38/60/80/573386080.db2.gz TWAWLIWBSNFLIX-MNOVXSKESA-N 1 1 198.354 2.010 10 0 AEAEMO CC[C@H](C)[NH2+]CCNC[C@@H](C)C1CC1 133213286 573386083 /nfs/dbraw/zinc/38/60/83/573386083.db2.gz TWAWLIWBSNFLIX-MNOVXSKESA-N 1 1 198.354 2.010 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1C[C@@H](C)NC[C@@H]1C 83085346 573386165 /nfs/dbraw/zinc/38/61/65/573386165.db2.gz QKAMIOBAHIYJLC-WOPDTQHZSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@@H]1CN[C@@H](C)C[N@H+]1C1CCCC1 83085181 573386354 /nfs/dbraw/zinc/38/63/54/573386354.db2.gz SJLVTJGRBFFQGV-WDEREUQCSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@H]1CN[C@H](C)C[N@H+]1C(C)(C)CC 83085203 573388944 /nfs/dbraw/zinc/38/89/44/573388944.db2.gz ITMUINYIDJDNQD-GHMZBOCLSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H]1CN[C@@H](C)C[N@H+]1C(C)(C)CC 83085205 573388418 /nfs/dbraw/zinc/38/84/18/573388418.db2.gz ITMUINYIDJDNQD-WDEREUQCSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@]1(C)C[N@H+](C(C)(C)C)[C@H](C)CN1 83087955 573388428 /nfs/dbraw/zinc/38/84/28/573388428.db2.gz PGRFCYDSIBXIDC-ZYHUDNBSSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H]1CN[C@H](C)C[N@H+]1C1CCCC1 83085180 573388522 /nfs/dbraw/zinc/38/85/22/573388522.db2.gz SJLVTJGRBFFQGV-MNOVXSKESA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H]1C[N@H+](C(C)(C)C)[C@H](CC)CN1 83087927 573388665 /nfs/dbraw/zinc/38/86/65/573388665.db2.gz YJGPQNRGLWQBDR-WDEREUQCSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@H]1CNCC[N@H+]1C1(C)CCCC1 83087757 573388686 /nfs/dbraw/zinc/38/86/86/573388686.db2.gz KTHSKQUZYZAZLZ-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CCCN(C)C[C@H](C)[N@@H+](C)CCC 308372406 573388741 /nfs/dbraw/zinc/38/87/41/573388741.db2.gz QQZLVDLRVPVVGQ-NSHDSACASA-N 1 1 186.343 2.059 10 0 AEAEMO CC[C@@H]1CN[C@@H](C)C[N@H+]1CC(C)(C)C 83085617 573388742 /nfs/dbraw/zinc/38/87/42/573388742.db2.gz DAICRZQOMGWASV-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCN(C)[C@@H](C)C[N@H+](C)CCC 308372406 573388747 /nfs/dbraw/zinc/38/87/47/573388747.db2.gz QQZLVDLRVPVVGQ-NSHDSACASA-N 1 1 186.343 2.059 10 0 AEAEMO CC[C@@H]1C[NH2+][C@@H](C)CN1CC(C)(C)C 83085617 573388749 /nfs/dbraw/zinc/38/87/49/573388749.db2.gz DAICRZQOMGWASV-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCCN(C)[C@@H](C)C[N@@H+](C)CCC 308372406 573388751 /nfs/dbraw/zinc/38/87/51/573388751.db2.gz QQZLVDLRVPVVGQ-NSHDSACASA-N 1 1 186.343 2.059 10 0 AEAEMO CC[C@@H]1C[N@H+](C2(C)CCCC2)CCN1 83084905 573388776 /nfs/dbraw/zinc/38/87/76/573388776.db2.gz HMKVROWKIRRQQA-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H](C(C)C)[N@H+]1C[C@H](C)NC[C@@H]1C 83085682 573388840 /nfs/dbraw/zinc/38/88/40/573388840.db2.gz UCFVZAMGWSSSHA-SDDRHHMPSA-N 1 1 198.354 2.103 10 0 AEAEMO C[C@@H]1CNCC[N@H+]1C1(C)CCCCC1 83087088 573388867 /nfs/dbraw/zinc/38/88/67/573388867.db2.gz IVUFSWJGYKUBMZ-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CCC(CC)[N@H+]1CC(C)(C)NC[C@@H]1C 83088644 573396351 /nfs/dbraw/zinc/39/63/51/573396351.db2.gz MKCKTVHXLQRIOJ-JTQLQIEISA-N 1 1 198.354 2.247 10 0 AEAEMO CCCC[N@@H+](C)[C@]1(CN)C[C@@H](C)[C@H]1C 308570840 573396409 /nfs/dbraw/zinc/39/64/09/573396409.db2.gz KFTXOJMWGAEKAH-UTUOFQBUSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CC(C)(C)NC[C@@H]1C 83088923 573396462 /nfs/dbraw/zinc/39/64/62/573396462.db2.gz YDJYBKNJUZIEDH-QWRGUYRKSA-N 1 1 198.354 2.103 10 0 AEAEMO CCC[C@@H]1C[N@H+](C(C)(C)C)CCCN1 83091248 573396506 /nfs/dbraw/zinc/39/65/06/573396506.db2.gz SBWHYIPKUBGYHF-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[C@@H]1CN(C(C)(C)C)CCC[NH2+]1 83091248 573396511 /nfs/dbraw/zinc/39/65/11/573396511.db2.gz SBWHYIPKUBGYHF-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H](C)[C@@]1(O)CCC[N@@H+](CC)CC1 86388345 573396600 /nfs/dbraw/zinc/39/66/00/573396600.db2.gz RFROGFQWZSDRNC-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC(CC)[N@H+]1CC(C)(C)NC[C@H]1C 83088646 573396606 /nfs/dbraw/zinc/39/66/06/573396606.db2.gz MKCKTVHXLQRIOJ-SNVBAGLBSA-N 1 1 198.354 2.247 10 0 AEAEMO C[C@H]1CNC(C)(C)C[N@H+]1CC(C)(C)C 83089614 573396693 /nfs/dbraw/zinc/39/66/93/573396693.db2.gz YYRSHLWASQSSRT-JTQLQIEISA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@H]1C[NH2+]C(C)(C)CN1CC(C)(C)C 83089614 573396694 /nfs/dbraw/zinc/39/66/94/573396694.db2.gz YYRSHLWASQSSRT-JTQLQIEISA-N 1 1 198.354 2.105 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCCNC(C)(C)C1 83091361 573396704 /nfs/dbraw/zinc/39/67/04/573396704.db2.gz GCTZDRRZLLEIQJ-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@H]1C[N@H+](C2CCCC2)CCCN1 83091565 573396893 /nfs/dbraw/zinc/39/68/93/573396893.db2.gz UVEWDDIAPFRXJL-NSHDSACASA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@@H]1CN[C@](C)(CC)C[N@H+]1C1CC1 83088394 573396935 /nfs/dbraw/zinc/39/69/35/573396935.db2.gz WQTZKFXCXZMLRU-ZYHUDNBSSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@H]1C[NH2+][C@](C)(CC)CN1C1CC1 83088394 573396940 /nfs/dbraw/zinc/39/69/40/573396940.db2.gz WQTZKFXCXZMLRU-ZYHUDNBSSA-N 1 1 196.338 2.001 10 0 AEAEMO Nc1cc2[nH+]cn(C3CC3)c2cc1F 107176342 573397043 /nfs/dbraw/zinc/39/70/43/573397043.db2.gz LSRYXCYASRDRQC-UHFFFAOYSA-N 1 1 191.209 2.093 10 0 AEAEMO CC[C@H]1C[N@@H+](CC(C)(C)C)CCCN1 83092484 573397058 /nfs/dbraw/zinc/39/70/58/573397058.db2.gz HIZXCAWUNKCXGZ-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H]1CN(CC(C)(C)C)CCC[NH2+]1 83092484 573397062 /nfs/dbraw/zinc/39/70/62/573397062.db2.gz HIZXCAWUNKCXGZ-NSHDSACASA-N 1 1 198.354 2.106 10 0 AEAEMO CCC1(CC)C[N@H+](C2CC2)[C@@H](C)CN1 83088399 573397122 /nfs/dbraw/zinc/39/71/22/573397122.db2.gz ICKGOFMMZFXBSL-JTQLQIEISA-N 1 1 196.338 2.001 10 0 AEAEMO CCC1(CC)C[N@@H+](C2CC2)[C@@H](C)CN1 83088399 573397126 /nfs/dbraw/zinc/39/71/26/573397126.db2.gz ICKGOFMMZFXBSL-JTQLQIEISA-N 1 1 196.338 2.001 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CCCN[C@H](C)C1 83091977 573398581 /nfs/dbraw/zinc/39/85/81/573398581.db2.gz RMOASKODOWFXOT-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO [NH3+]CC(=O)c1ccc(C2CCC2)cc1 107174510 573398643 /nfs/dbraw/zinc/39/86/43/573398643.db2.gz FCJIDKUZLAYUSD-UHFFFAOYSA-N 1 1 189.258 2.096 10 0 AEAEMO CCC(C)(C)[N@H+]1CC(C)(C)NC[C@@H]1C 83088720 573397942 /nfs/dbraw/zinc/39/79/42/573397942.db2.gz ZFKKEUUNHJKTOY-JTQLQIEISA-N 1 1 198.354 2.247 10 0 AEAEMO CC(C)(C)C[N@H+]1CCCNC(C)(C)C1 83092468 573398071 /nfs/dbraw/zinc/39/80/71/573398071.db2.gz VVIRYUGASHCFEB-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)(C)CN1CCC[NH2+]C(C)(C)C1 83092468 573398074 /nfs/dbraw/zinc/39/80/74/573398074.db2.gz VVIRYUGASHCFEB-UHFFFAOYSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[N@@H+](C(C)C)[C@]1(CN)C[C@H](C)[C@@H]1C 308572988 573398090 /nfs/dbraw/zinc/39/80/90/573398090.db2.gz LIRIXSSIQGLXDL-SRVKXCTJSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@@H]1C[N@@H+]([C@@H](C)C(C)C)[C@H](C)CN1 83088865 573398187 /nfs/dbraw/zinc/39/81/87/573398187.db2.gz RQHYSCMTSGIYTA-GRYCIOLGSA-N 1 1 198.354 2.103 10 0 AEAEMO CC[C@@H](C(C)C)[N@H+]1CCCN[C@H](C)C1 83092597 573398273 /nfs/dbraw/zinc/39/82/73/573398273.db2.gz JFJPNGSLRPAAIK-NEPJUHHUSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H]1C[N@@H+](C2CCC2)[C@H](CC)CN1 83090179 573398403 /nfs/dbraw/zinc/39/84/03/573398403.db2.gz PFOHBNNQGZRGER-WDEREUQCSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H]1CN(C2CCC2)[C@H](CC)C[NH2+]1 83090179 573398408 /nfs/dbraw/zinc/39/84/08/573398408.db2.gz PFOHBNNQGZRGER-WDEREUQCSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H]1C[N@@H+](C2CCCC2)[C@H](C)CN1 83088499 573398473 /nfs/dbraw/zinc/39/84/73/573398473.db2.gz HWULCOLINNERRM-MNOVXSKESA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H]1CN(C2CCCC2)[C@H](C)C[NH2+]1 83088499 573398475 /nfs/dbraw/zinc/39/84/75/573398475.db2.gz HWULCOLINNERRM-MNOVXSKESA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H](C)[N@H+]1CCCN[C@@](C)(CC)C1 83091445 573398750 /nfs/dbraw/zinc/39/87/50/573398750.db2.gz MOCAWCICECDQJY-RYUDHWBXSA-N 1 1 198.354 2.249 10 0 AEAEMO CC[C@@H]1C[N@@H+](CC(C)(C)C)[C@H](C)CN1 83089545 573398957 /nfs/dbraw/zinc/39/89/57/573398957.db2.gz DYXRCQREBSXOCI-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CN(CC(C)(C)C)[C@H](C)C[NH2+]1 83089545 573398962 /nfs/dbraw/zinc/39/89/62/573398962.db2.gz DYXRCQREBSXOCI-GHMZBOCLSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H]1CN[C@@](C)(CC)C[N@H+]1C1CC1 83088390 573399085 /nfs/dbraw/zinc/39/90/85/573399085.db2.gz WQTZKFXCXZMLRU-PWSUYJOCSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@H]1C[NH2+][C@@](C)(CC)CN1C1CC1 83088390 573399091 /nfs/dbraw/zinc/39/90/91/573399091.db2.gz WQTZKFXCXZMLRU-PWSUYJOCSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@H](C)NC[C@@]1(C)CC 86394499 573399182 /nfs/dbraw/zinc/39/91/82/573399182.db2.gz XRARRXBMMAGLJP-SDDRHHMPSA-N 1 1 198.354 2.247 10 0 AEAEMO CC[C@@H]1C[N@H+](C2CCCC2)CCCN1 83091563 573399282 /nfs/dbraw/zinc/39/92/82/573399282.db2.gz UVEWDDIAPFRXJL-LLVKDONJSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@H]1CN[C@](C)(CC)C[N@H+]1C1CC1 83088396 573399435 /nfs/dbraw/zinc/39/94/35/573399435.db2.gz WQTZKFXCXZMLRU-CMPLNLGQSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@H]1C[NH2+][C@](C)(CC)CN1C1CC1 83088396 573399442 /nfs/dbraw/zinc/39/94/42/573399442.db2.gz WQTZKFXCXZMLRU-CMPLNLGQSA-N 1 1 196.338 2.001 10 0 AEAEMO CCC[C@H]1C[N@@H+](C2CCC2)[C@H](C)CN1 83090164 573399565 /nfs/dbraw/zinc/39/95/65/573399565.db2.gz AYMBUSMNEBQXSB-MNOVXSKESA-N 1 1 196.338 2.001 10 0 AEAEMO CCC[C@H]1CN(C2CCC2)[C@H](C)C[NH2+]1 83090164 573399567 /nfs/dbraw/zinc/39/95/67/573399567.db2.gz AYMBUSMNEBQXSB-MNOVXSKESA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@]1(C)C[N@H+](C(C)(C)C)CCCN1 83091254 573399581 /nfs/dbraw/zinc/39/95/81/573399581.db2.gz NAAKMDAHBYHTQE-GFCCVEGCSA-N 1 1 198.354 2.249 10 0 AEAEMO FC(F)(c1ccccc1)[C@H]1CC[NH2+]1 257810250 573399815 /nfs/dbraw/zinc/39/98/15/573399815.db2.gz AIFKBBWUTBBBBX-SECBINFHSA-N 1 1 183.201 2.140 10 0 AEAEMO CC[C@H](C)[N@H+]1CCNC[C@@H]1C(C)(C)C 86394448 573399958 /nfs/dbraw/zinc/39/99/58/573399958.db2.gz IAIOMRVLISBMCC-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@@H](CC)NCC[C@H]1C 86394727 573400046 /nfs/dbraw/zinc/40/00/46/573400046.db2.gz XTQZEABZFNOISR-QJPTWQEYSA-N 1 1 198.354 2.247 10 0 AEAEMO CC(C)[N@@H+]1Cc2ccc(C=O)cc2C1 107174498 573400378 /nfs/dbraw/zinc/40/03/78/573400378.db2.gz IMZIAPJXCBXLSF-UHFFFAOYSA-N 1 1 189.258 2.223 10 0 AEAEMO CC[N@@H+](C[C@H](C)C[NH3+])CC1(C)CCC1 308572350 573400380 /nfs/dbraw/zinc/40/03/80/573400380.db2.gz LANHAEYNFCAENW-LLVKDONJSA-N 1 1 198.354 2.093 10 0 AEAEMO CN[C@@H]1CCC[N@H+](C(C)(C)C)C1(C)C 259440350 573406304 /nfs/dbraw/zinc/40/63/04/573406304.db2.gz OLOSYMOHJZPZHL-SNVBAGLBSA-N 1 1 198.354 2.247 10 0 AEAEMO CN[C@@H]1CCC[N@@H+](C(C)(C)C)C1(C)C 259440350 573406309 /nfs/dbraw/zinc/40/63/09/573406309.db2.gz OLOSYMOHJZPZHL-SNVBAGLBSA-N 1 1 198.354 2.247 10 0 AEAEMO C[C@H](O)CCCC[N@H+]1CCCC[C@@H]1C 223286929 573412395 /nfs/dbraw/zinc/41/23/95/573412395.db2.gz SMHKNXNRWARPFB-RYUDHWBXSA-N 1 1 199.338 2.412 10 0 AEAEMO C[C@@H](N)C[NH2+]CC(C)(C)C1CCCC1 258646201 573413117 /nfs/dbraw/zinc/41/31/17/573413117.db2.gz ABIGIEAMABZTRD-SNVBAGLBSA-N 1 1 198.354 2.140 10 0 AEAEMO CC(C)(C)C(C)(C)NC[C@@H]1CCC[NH2+]1 308577013 573412608 /nfs/dbraw/zinc/41/26/08/573412608.db2.gz NCIHAWPIIQNXIG-JTQLQIEISA-N 1 1 198.354 2.153 10 0 AEAEMO CC/C=C\CC[N@@H+](C)[C@@H](C)COC 308386022 573412719 /nfs/dbraw/zinc/41/27/19/573412719.db2.gz XBZUMXZYJNTOJR-ZADCQDASSA-N 1 1 185.311 2.309 10 0 AEAEMO Cc1cccc([C@H]([NH3+])C(F)F)c1 83119936 573412743 /nfs/dbraw/zinc/41/27/43/573412743.db2.gz ISFMMPNVXLWLEL-QMMMGPOBSA-N 1 1 171.190 2.260 10 0 AEAEMO CC[C@@H](C)C[N@@H+](CCCO)C(C)C 50428284 573420412 /nfs/dbraw/zinc/42/04/12/573420412.db2.gz USJUJQNHZDXPSP-LLVKDONJSA-N 1 1 187.327 2.125 10 0 AEAEMO Cc1ccc(OCCC(C)C)c(N)[nH+]1 50440842 573420534 /nfs/dbraw/zinc/42/05/34/573420534.db2.gz FXSMMMAQKPUENO-UHFFFAOYSA-N 1 1 194.278 2.397 10 0 AEAEMO CC[C@@H](F)C[N@H+](C)Cc1ccco1 308381842 573420557 /nfs/dbraw/zinc/42/05/57/573420557.db2.gz UWZGSCWLIONQGL-SECBINFHSA-N 1 1 185.242 2.460 10 0 AEAEMO CC[C@@H](F)C[N@@H+](C)Cc1ccco1 308381842 573420563 /nfs/dbraw/zinc/42/05/63/573420563.db2.gz UWZGSCWLIONQGL-SECBINFHSA-N 1 1 185.242 2.460 10 0 AEAEMO CC[C@@H](C)COc1ccc(C)[nH+]c1N 50441036 573420859 /nfs/dbraw/zinc/42/08/59/573420859.db2.gz UAZWXIFWYGGHRP-MRVPVSSYSA-N 1 1 194.278 2.397 10 0 AEAEMO CCCC[N@@H+](CC)[C@H]1CCO[C@@H]1C 308389401 573424413 /nfs/dbraw/zinc/42/44/13/573424413.db2.gz YXISSHZNUOGLNQ-MNOVXSKESA-N 1 1 185.311 2.286 10 0 AEAEMO CCCC[N@@H+](CC)[C@H]1CCO[C@H]1C 308389410 573424507 /nfs/dbraw/zinc/42/45/07/573424507.db2.gz YXISSHZNUOGLNQ-QWRGUYRKSA-N 1 1 185.311 2.286 10 0 AEAEMO Cc1ccccc1[C@@H]([NH3+])C(F)F 83137768 573424579 /nfs/dbraw/zinc/42/45/79/573424579.db2.gz XCKSMICXPVPDTI-MRVPVSSYSA-N 1 1 171.190 2.260 10 0 AEAEMO CCCC[N@@H+](CC)[C@@H]1CCO[C@H]1C 308389416 573427339 /nfs/dbraw/zinc/42/73/39/573427339.db2.gz YXISSHZNUOGLNQ-WDEREUQCSA-N 1 1 185.311 2.286 10 0 AEAEMO CC(C)[N@H+]1CCCC[C@H]1C1(O)CCC1 258028278 573427688 /nfs/dbraw/zinc/42/76/88/573427688.db2.gz NSTKPHKMZWYFHR-NSHDSACASA-N 1 1 197.322 2.164 10 0 AEAEMO C[NH2+]CC(F)(F)Cc1ccccc1C 257812482 573431382 /nfs/dbraw/zinc/43/13/82/573431382.db2.gz ALENZKBZKSSEAJ-UHFFFAOYSA-N 1 1 199.244 2.392 10 0 AEAEMO CC[C@@H](C)[N@H+]1C[C@H](CO)CCC1(C)C 259446508 573430704 /nfs/dbraw/zinc/43/07/04/573430704.db2.gz OWUGCRJNATUZQF-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CCC[C@@H]1CC[N@@H+](CC(C)(C)CO)C1 133734507 573434451 /nfs/dbraw/zinc/43/44/51/573434451.db2.gz TWDUQMAUHRHNBY-LLVKDONJSA-N 1 1 199.338 2.127 10 0 AEAEMO Cc1nc(C[NH3+])oc1C1CCCC1 257816212 573446803 /nfs/dbraw/zinc/44/68/03/573446803.db2.gz DBXIJEKUIQMWIZ-UHFFFAOYSA-N 1 1 180.251 2.099 10 0 AEAEMO CCCc1[nH]c(C[NH2+]C(C)C)nc1C 258497689 573457426 /nfs/dbraw/zinc/45/74/26/573457426.db2.gz DOTCRSRQKUKDEG-UHFFFAOYSA-N 1 1 195.310 2.169 10 0 AEAEMO CC(C)Cc1nc(C[NH3+])oc1C(C)C 257814210 573457766 /nfs/dbraw/zinc/45/77/66/573457766.db2.gz CKSNMDODZJHGKI-UHFFFAOYSA-N 1 1 196.294 2.455 10 0 AEAEMO CC(C)[N@H+]1CC[C@H](CCO)CC1(C)C 259455261 573457884 /nfs/dbraw/zinc/45/78/84/573457884.db2.gz POUBSQQOQJRADT-LLVKDONJSA-N 1 1 199.338 2.268 10 0 AEAEMO FC1(F)CC[NH2+][C@@H]1c1ccccc1 107274970 573468571 /nfs/dbraw/zinc/46/85/71/573468571.db2.gz AMLMIKMHUNJHRA-SECBINFHSA-N 1 1 183.201 2.356 10 0 AEAEMO C[C@@H]([NH3+])C(F)(F)c1ccccc1F 107275259 573468187 /nfs/dbraw/zinc/46/81/87/573468187.db2.gz JRZUWNIKMRIMMH-ZCFIWIBFSA-N 1 1 189.180 2.265 10 0 AEAEMO C[C@H]([NH3+])C(F)(F)c1cccc(F)c1 107275875 573468339 /nfs/dbraw/zinc/46/83/39/573468339.db2.gz DJIWLOHIXDIGIF-LURJTMIESA-N 1 1 189.180 2.265 10 0 AEAEMO N[C@H](C[NH2+]C1CCCC1)C1CCCC1 258358201 573468703 /nfs/dbraw/zinc/46/87/03/573468703.db2.gz RJTMPIUNUWJPOO-GFCCVEGCSA-N 1 1 196.338 2.036 10 0 AEAEMO CC[N@H+]1CCCC[C@H]1[C@@H]1CCCC1=O 86500006 573468834 /nfs/dbraw/zinc/46/88/34/573468834.db2.gz AJQRHQWIAVUINW-QWRGUYRKSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@@H]([NH3+])C(F)(F)c1ccc(F)cc1 107276515 573469402 /nfs/dbraw/zinc/46/94/02/573469402.db2.gz XQISNWAIRFJURZ-ZCFIWIBFSA-N 1 1 189.180 2.265 10 0 AEAEMO C[N@@H+]1C[C@H](F)C[C@@H]1c1ccc(O)cc1 107278679 573469426 /nfs/dbraw/zinc/46/94/26/573469426.db2.gz PQVCDLCMGXZSDL-MWLCHTKSSA-N 1 1 195.237 2.107 10 0 AEAEMO C[N@H+]1C[C@H](F)C[C@@H]1c1ccc(O)cc1 107278679 573469434 /nfs/dbraw/zinc/46/94/34/573469434.db2.gz PQVCDLCMGXZSDL-MWLCHTKSSA-N 1 1 195.237 2.107 10 0 AEAEMO CCCCC[N@@H+](C)[C@H]1CCC[C@@]1(C)O 308582956 573469707 /nfs/dbraw/zinc/46/97/07/573469707.db2.gz KSUFWOWBUGETRD-NWDGAFQWSA-N 1 1 199.338 2.412 10 0 AEAEMO CC[C@H](C)C[N@@H+](C)[C@H]1CCC[C@]1(C)O 308583515 573469745 /nfs/dbraw/zinc/46/97/45/573469745.db2.gz KYVTULLKWZZQSI-SRVKXCTJSA-N 1 1 199.338 2.268 10 0 AEAEMO C[N@@H+]1CC[C@H](F)[C@@H]1c1ccc(O)cc1 107278704 573469777 /nfs/dbraw/zinc/46/97/77/573469777.db2.gz ZCMFGGJUJZAKLN-QWRGUYRKSA-N 1 1 195.237 2.107 10 0 AEAEMO C[N@H+]1CC[C@H](F)[C@@H]1c1ccc(O)cc1 107278704 573469782 /nfs/dbraw/zinc/46/97/82/573469782.db2.gz ZCMFGGJUJZAKLN-QWRGUYRKSA-N 1 1 195.237 2.107 10 0 AEAEMO CCC(C)(C)[N@@H+](C)CC[C@@H]([NH3+])C1CC1 130106727 573469845 /nfs/dbraw/zinc/46/98/45/573469845.db2.gz ICTJJPFKWHBJLR-LLVKDONJSA-N 1 1 198.354 2.234 10 0 AEAEMO C[N@@H+]1CC[C@@H](F)[C@@H]1c1ccc(O)cc1 107278706 573470004 /nfs/dbraw/zinc/47/00/04/573470004.db2.gz ZCMFGGJUJZAKLN-MNOVXSKESA-N 1 1 195.237 2.107 10 0 AEAEMO C[N@H+]1CC[C@@H](F)[C@@H]1c1ccc(O)cc1 107278706 573470009 /nfs/dbraw/zinc/47/00/09/573470009.db2.gz ZCMFGGJUJZAKLN-MNOVXSKESA-N 1 1 195.237 2.107 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](CC(C)(C)N)C1CC1 308866551 573470070 /nfs/dbraw/zinc/47/00/70/573470070.db2.gz XFMLNENUYHPAMT-SNVBAGLBSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)[C@@H](C)N(CC(C)(C)[NH3+])C1CC1 308866551 573470073 /nfs/dbraw/zinc/47/00/73/573470073.db2.gz XFMLNENUYHPAMT-SNVBAGLBSA-N 1 1 198.354 2.233 10 0 AEAEMO CCC[N@@H+](CCN)CC1(CCC)CC1 308583655 573470219 /nfs/dbraw/zinc/47/02/19/573470219.db2.gz QQYNMPICQASSSV-UHFFFAOYSA-N 1 1 198.354 2.237 10 0 AEAEMO CCCN(CC[NH3+])CC1(CCC)CC1 308583655 573470223 /nfs/dbraw/zinc/47/02/23/573470223.db2.gz QQYNMPICQASSSV-UHFFFAOYSA-N 1 1 198.354 2.237 10 0 AEAEMO CCC(C)(C)[N@@H+](C)CC[C@H]([NH3+])C1CC1 130106518 573470477 /nfs/dbraw/zinc/47/04/77/573470477.db2.gz ICTJJPFKWHBJLR-NSHDSACASA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC1=O 86500005 573470554 /nfs/dbraw/zinc/47/05/54/573470554.db2.gz AJQRHQWIAVUINW-WDEREUQCSA-N 1 1 195.306 2.230 10 0 AEAEMO C1C[C@@H]2CC[N@H+](CCC[C@@H]3CO3)[C@@H]2C1 393526030 573473114 /nfs/dbraw/zinc/47/31/14/573473114.db2.gz STCJDFFPESMNAW-IJLUTSLNSA-N 1 1 195.306 2.040 10 0 AEAEMO C1C[C@@H]2CC[N@H+](CCC[C@H]3CO3)[C@@H]2C1 393526028 573474440 /nfs/dbraw/zinc/47/44/40/573474440.db2.gz STCJDFFPESMNAW-GRYCIOLGSA-N 1 1 195.306 2.040 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](CC(C)(C)N)C1CC1 308866550 573474753 /nfs/dbraw/zinc/47/47/53/573474753.db2.gz XFMLNENUYHPAMT-JTQLQIEISA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)[C@H](C)N(CC(C)(C)[NH3+])C1CC1 308866550 573474758 /nfs/dbraw/zinc/47/47/58/573474758.db2.gz XFMLNENUYHPAMT-JTQLQIEISA-N 1 1 198.354 2.233 10 0 AEAEMO C[N@@H+]1CC[C@H](F)[C@@H]1c1cccc(O)c1 107279097 573475013 /nfs/dbraw/zinc/47/50/13/573475013.db2.gz ZIXVPELPZSAJNK-QWRGUYRKSA-N 1 1 195.237 2.107 10 0 AEAEMO C[N@H+]1CC[C@H](F)[C@@H]1c1cccc(O)c1 107279097 573475015 /nfs/dbraw/zinc/47/50/15/573475015.db2.gz ZIXVPELPZSAJNK-QWRGUYRKSA-N 1 1 195.237 2.107 10 0 AEAEMO C[N@@H+]1C[C@@H](F)C[C@@H]1c1cccc(O)c1 107279071 573475148 /nfs/dbraw/zinc/47/51/48/573475148.db2.gz PAGNFDYCESOGSI-GXSJLCMTSA-N 1 1 195.237 2.107 10 0 AEAEMO C[N@H+]1C[C@@H](F)C[C@@H]1c1cccc(O)c1 107279071 573475153 /nfs/dbraw/zinc/47/51/53/573475153.db2.gz PAGNFDYCESOGSI-GXSJLCMTSA-N 1 1 195.237 2.107 10 0 AEAEMO CCCCC[N@H+]1C[C@H](CO)CC[C@H]1C 688718927 573475678 /nfs/dbraw/zinc/47/56/78/573475678.db2.gz WIXPPUSPHJHNJC-VXGBXAGGSA-N 1 1 199.338 2.269 10 0 AEAEMO C1C[C@H]2[C@H](C1)CC[N@@H+]2CCC[C@@H]1CO1 393526032 573475738 /nfs/dbraw/zinc/47/57/38/573475738.db2.gz STCJDFFPESMNAW-UTUOFQBUSA-N 1 1 195.306 2.040 10 0 AEAEMO CC(C)(C)[N@H+]1CC[C@H](CCO)C1(C)C 259468994 573479226 /nfs/dbraw/zinc/47/92/26/573479226.db2.gz QPUSBUUHMQGALA-SNVBAGLBSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCCC[N@H+]1C[C@H](CO)CC[C@@H]1C 688718905 573479332 /nfs/dbraw/zinc/47/93/32/573479332.db2.gz WIXPPUSPHJHNJC-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC(CC)[N@H+]1CCC[C@@H]1C[C@@H](C)[NH3+] 308596530 573479573 /nfs/dbraw/zinc/47/95/73/573479573.db2.gz SEJRUNRSVYFRFU-ZYHUDNBSSA-N 1 1 198.354 2.377 10 0 AEAEMO CCCCC[N@H+]1C[C@@H](CO)CC[C@H]1C 688718904 573479654 /nfs/dbraw/zinc/47/96/54/573479654.db2.gz WIXPPUSPHJHNJC-NEPJUHHUSA-N 1 1 199.338 2.269 10 0 AEAEMO Cc1cn(C[C@@H]2CCCS2)c(C)[nH+]1 715840287 573485259 /nfs/dbraw/zinc/48/52/59/573485259.db2.gz BAVWMARPZVSCOT-JTQLQIEISA-N 1 1 196.319 2.396 10 0 AEAEMO CCC[N@H+]1CCC[C@H](CCO)C1(C)C 259470523 573485790 /nfs/dbraw/zinc/48/57/90/573485790.db2.gz QTBATROVKHHBBA-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@H]1CCC[C@@]1(C)O 308599822 573485830 /nfs/dbraw/zinc/48/58/30/573485830.db2.gz UGPMIPJOVHJPPR-NWDGAFQWSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@@H]1CCC[C@]1(C)O 308599821 573486003 /nfs/dbraw/zinc/48/60/03/573486003.db2.gz UGPMIPJOVHJPPR-NEPJUHHUSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@H]1CCC[C@]1(C)O 308599823 573486148 /nfs/dbraw/zinc/48/61/48/573486148.db2.gz UGPMIPJOVHJPPR-RYUDHWBXSA-N 1 1 199.338 2.410 10 0 AEAEMO CCC[N@@H+](C(C)C)[C@@H]1CCC[C@@]1(C)O 308599824 573486232 /nfs/dbraw/zinc/48/62/32/573486232.db2.gz UGPMIPJOVHJPPR-VXGBXAGGSA-N 1 1 199.338 2.410 10 0 AEAEMO CCCC(C)(C)[N@H+]1CCNC[C@H]1CC 126365182 573486554 /nfs/dbraw/zinc/48/65/54/573486554.db2.gz CBFFHUKLSCHJQJ-LLVKDONJSA-N 1 1 198.354 2.249 10 0 AEAEMO C[C@@H](CC(F)F)C[N@@H+]1CCSC1 688740238 573486561 /nfs/dbraw/zinc/48/65/61/573486561.db2.gz RXCFYZMDTFQOAB-ZETCQYMHSA-N 1 1 195.278 2.284 10 0 AEAEMO C[C@@H](CC(F)F)C[N@H+]1CCSC1 688740238 573486566 /nfs/dbraw/zinc/48/65/66/573486566.db2.gz RXCFYZMDTFQOAB-ZETCQYMHSA-N 1 1 195.278 2.284 10 0 AEAEMO Cc1cc(C[C@H](C)[C@@H](C)O)cc(C)[nH+]1 238406783 573491177 /nfs/dbraw/zinc/49/11/77/573491177.db2.gz CWQSXSJVQLOSHN-GZMMTYOYSA-N 1 1 193.290 2.258 10 0 AEAEMO CC(C)(C)[N@H+]1CC[C@H](O)CC1(C)C 259472414 573491268 /nfs/dbraw/zinc/49/12/68/573491268.db2.gz QUZCHWCMVSQHPF-VIFPVBQESA-N 1 1 185.311 2.020 10 0 AEAEMO CCCCCc1[nH]c(NC)[nH+]c1C 258688658 573493982 /nfs/dbraw/zinc/49/39/82/573493982.db2.gz GIHRJGUDAYTLJG-UHFFFAOYSA-N 1 1 181.283 2.493 10 0 AEAEMO CC(C)CC[N@@H+](C)C(C)(C)CCO 258687548 573494289 /nfs/dbraw/zinc/49/42/89/573494289.db2.gz BEQBCDBWNMYZIY-UHFFFAOYSA-N 1 1 187.327 2.125 10 0 AEAEMO CN1CCCC[C@@H]1C1([NH3+])CCCCC1 258041651 573494392 /nfs/dbraw/zinc/49/43/92/573494392.db2.gz OLELRCPMNNCOJE-LLVKDONJSA-N 1 1 196.338 2.132 10 0 AEAEMO CC(C)CC[N@@H+](C)[C@H]1CCC[C@@]1(C)O 308608814 573500317 /nfs/dbraw/zinc/50/03/17/573500317.db2.gz XPBKRQPFPOVMRX-NWDGAFQWSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)CC[N@@H+](C)[C@H]1CCC[C@]1(C)O 308608816 573500327 /nfs/dbraw/zinc/50/03/27/573500327.db2.gz XPBKRQPFPOVMRX-RYUDHWBXSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)CC[N@@H+](C)[C@@H]1CCC[C@@]1(C)O 308608819 573500477 /nfs/dbraw/zinc/50/04/77/573500477.db2.gz XPBKRQPFPOVMRX-VXGBXAGGSA-N 1 1 199.338 2.268 10 0 AEAEMO C/C=C\C[N@H+]1C[C@H](C)NC[C@@]1(C)CC 308399102 573500546 /nfs/dbraw/zinc/50/05/46/573500546.db2.gz CESKXXRADQNWMI-ZADDAZQUSA-N 1 1 196.338 2.025 10 0 AEAEMO C/C=C\C[N@@H+]1C[C@H](C)NC[C@@]1(C)CC 308399102 573500554 /nfs/dbraw/zinc/50/05/54/573500554.db2.gz CESKXXRADQNWMI-ZADDAZQUSA-N 1 1 196.338 2.025 10 0 AEAEMO C/C=C\C[N@H+]1C[C@](C)(CC)NC[C@@H]1C 308399370 573500930 /nfs/dbraw/zinc/50/09/30/573500930.db2.gz CWVWZRPURBVEQJ-RAUBUVQISA-N 1 1 196.338 2.025 10 0 AEAEMO C/C=C\C[N@@H+]1C[C@](C)(CC)NC[C@@H]1C 308399370 573500935 /nfs/dbraw/zinc/50/09/35/573500935.db2.gz CWVWZRPURBVEQJ-RAUBUVQISA-N 1 1 196.338 2.025 10 0 AEAEMO C/C=C\CNCC1([NH+](C)C)CCCC1 308399355 573500986 /nfs/dbraw/zinc/50/09/86/573500986.db2.gz CRRLBJDMCYGXJX-PLNGDYQASA-N 1 1 196.338 2.027 10 0 AEAEMO CC[N@@H+](C)[C@@]1(CN)CCC[C@H](C)CC1 83428233 573501076 /nfs/dbraw/zinc/50/10/76/573501076.db2.gz LZKNFRUBPNRICX-RYUDHWBXSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[C@@H]1CC[C@@H]2C[C@H](CO)C[N@@H+]12 308609412 573501306 /nfs/dbraw/zinc/50/13/06/573501306.db2.gz XRDAUJVEQUXYIO-QJPTWQEYSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)(C)[C@H]1CCC[C@]([NH3+])(CN)CC1 83438621 573508650 /nfs/dbraw/zinc/50/86/50/573508650.db2.gz HVHMBQVQBADHEP-CMPLNLGQSA-N 1 1 198.354 2.269 10 0 AEAEMO CC[N@@H+](C(C)C)[C@H]1CCCC(=O)C1 86599948 573509126 /nfs/dbraw/zinc/50/91/26/573509126.db2.gz MONCIGNTLPYTNU-JTQLQIEISA-N 1 1 183.295 2.228 10 0 AEAEMO CCCC[N@@H+](C)[C@@H]1CCCC(=O)C1 86599750 573509308 /nfs/dbraw/zinc/50/93/08/573509308.db2.gz UQUFIGAKEKIUOO-SNVBAGLBSA-N 1 1 183.295 2.230 10 0 AEAEMO CC(C)(C)[C@@H]1CCC[C@@]([NH3+])(CN)CC1 83438622 573509338 /nfs/dbraw/zinc/50/93/38/573509338.db2.gz HVHMBQVQBADHEP-PWSUYJOCSA-N 1 1 198.354 2.269 10 0 AEAEMO CC(C)(C)[C@H]1CCC[C@@]([NH3+])(CN)CC1 83438623 573509432 /nfs/dbraw/zinc/50/94/32/573509432.db2.gz HVHMBQVQBADHEP-JQWIXIFHSA-N 1 1 198.354 2.269 10 0 AEAEMO C[N@@H+](CC(C)(C)C)[C@@H]1CCC(=O)C1 86618036 573519378 /nfs/dbraw/zinc/51/93/78/573519378.db2.gz LFUSAKFGZLMTQS-SECBINFHSA-N 1 1 183.295 2.086 10 0 AEAEMO CCCC(C)(C)[N@@H+]1CCC[C@H](NC)C1 126355970 573519479 /nfs/dbraw/zinc/51/94/79/573519479.db2.gz RNGIVBCVJCTYSI-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCCC(C)(C)[N@H+]1CCC[C@H](NC)C1 126355970 573519485 /nfs/dbraw/zinc/51/94/85/573519485.db2.gz RNGIVBCVJCTYSI-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCC[N@@H+](CCN)C[C@@H]1CCC[C@H]1C 308605297 573519609 /nfs/dbraw/zinc/51/96/09/573519609.db2.gz GWPZIIKJXUBWAH-NEPJUHHUSA-N 1 1 198.354 2.093 10 0 AEAEMO C[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)C2)[C@@H]1C 86618295 573519805 /nfs/dbraw/zinc/51/98/05/573519805.db2.gz WSUANGNKAATNGI-GMTAPVOTSA-N 1 1 195.306 2.228 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@H](CCO)CC1(C)C 259488607 573532096 /nfs/dbraw/zinc/53/20/96/573532096.db2.gz RXTLKJMCGPBSMC-WDEREUQCSA-N 1 1 199.338 2.268 10 0 AEAEMO C[NH2+][C@H](c1ccc(C)cc1C)N(C)C 259490826 573532112 /nfs/dbraw/zinc/53/21/12/573532112.db2.gz LDIUTEAKYNGJGT-LBPRGKRZSA-N 1 1 192.306 2.083 10 0 AEAEMO CC[C@H](C)SCC(=[NH2+])OC 83499862 573532195 /nfs/dbraw/zinc/53/21/95/573532195.db2.gz KFRFZQNNELZHFE-LURJTMIESA-N 1 1 161.270 2.142 10 0 AEAEMO CCC(CC)C[NH2+]C[C@@](C)(N)C1CC1 130414677 573532210 /nfs/dbraw/zinc/53/22/10/573532210.db2.gz ZDYNGSSNEAVLIE-GFCCVEGCSA-N 1 1 198.354 2.140 10 0 AEAEMO CC(C)[N@H+]1CC[C@@H](C/C=C\CCO)C1 258051754 573532259 /nfs/dbraw/zinc/53/22/59/573532259.db2.gz DECPGEWUOKQVCE-VSQXVHSFSA-N 1 1 197.322 2.045 10 0 AEAEMO CCC(CC)C[NH2+]C[C@](C)(N)C1CC1 130414422 573532502 /nfs/dbraw/zinc/53/25/02/573532502.db2.gz ZDYNGSSNEAVLIE-LBPRGKRZSA-N 1 1 198.354 2.140 10 0 AEAEMO [NH3+][C@@H](C1=CCCC1)C(F)(F)C(F)F 86638896 573536932 /nfs/dbraw/zinc/53/69/32/573536932.db2.gz SBZLBZVWWSMBMP-LURJTMIESA-N 1 1 197.175 2.324 10 0 AEAEMO Cc1cccc(C(F)(F)[C@@H]2CC[NH2+]2)c1 257824303 573537701 /nfs/dbraw/zinc/53/77/01/573537701.db2.gz GRXGFIZQUWPCLA-JTQLQIEISA-N 1 1 197.228 2.449 10 0 AEAEMO [NH3+]Cc1nc2ccc3ccccc3c2o1 257824179 573537957 /nfs/dbraw/zinc/53/79/57/573537957.db2.gz FFGBGVNOMXDEQD-UHFFFAOYSA-N 1 1 198.225 2.440 10 0 AEAEMO CCC(C)(C)[N@@H+](C)[C@@]1(CN)CC[C@@H]1C 308628258 573549542 /nfs/dbraw/zinc/54/95/42/573549542.db2.gz XTCGYCPYKIQLAM-CMPLNLGQSA-N 1 1 198.354 2.234 10 0 AEAEMO Cc1ccc(-c2cnc(C[NH3+])o2)s1 83554412 573549829 /nfs/dbraw/zinc/54/98/29/573549829.db2.gz OYBMABLDCCRJLX-UHFFFAOYSA-N 1 1 194.259 2.170 10 0 AEAEMO C[C@H]([NH3+])c1ncc(-c2ccsc2)o1 83554720 573554783 /nfs/dbraw/zinc/55/47/83/573554783.db2.gz ZWMBARYGWXBMQX-LURJTMIESA-N 1 1 194.259 2.423 10 0 AEAEMO CC[C@H]1CC[C@H](C)[N@H+]1CC(C)(C)O 124620672 573555016 /nfs/dbraw/zinc/55/50/16/573555016.db2.gz ROMNEIUAPOOKEQ-UWVGGRQHSA-N 1 1 185.311 2.020 10 0 AEAEMO C[NH2+]Cc1ncc([C@H](C)C(C)C)o1 83555163 573555018 /nfs/dbraw/zinc/55/50/18/573555018.db2.gz IHRKYRGCFTYGRU-MRVPVSSYSA-N 1 1 182.267 2.154 10 0 AEAEMO CC(C)[C@@H](C)c1cnc([C@H](C)[NH3+])o1 83554615 573555259 /nfs/dbraw/zinc/55/52/59/573555259.db2.gz BNGKBFPIKPAXIU-SFYZADRCSA-N 1 1 182.267 2.454 10 0 AEAEMO C[C@@H]1[NH2+]Cc2nn(-c3ccccc3)cc21 82383751 573555400 /nfs/dbraw/zinc/55/54/00/573555400.db2.gz HAEMIKVXNTWPLF-VIFPVBQESA-N 1 1 199.257 2.037 10 0 AEAEMO Cc1[nH]c(C)c(-c2cccc(O)c2)[nH+]1 257830663 573560074 /nfs/dbraw/zinc/56/00/74/573560074.db2.gz JATJNWPFFZMXKR-UHFFFAOYSA-N 1 1 188.230 2.399 10 0 AEAEMO CC[C@H](C)[NH2+][C@@H]1CCCCC[C@@H]1N 86678583 573560678 /nfs/dbraw/zinc/56/06/78/573560678.db2.gz XTMJWAYMMLDOGO-GARJFASQSA-N 1 1 184.327 2.035 10 0 AEAEMO [NH3+]CC(F)(F)[C@@H](F)c1ccccc1 257830667 573560700 /nfs/dbraw/zinc/56/07/00/573560700.db2.gz JAUJONVJSGWJPZ-QMMMGPOBSA-N 1 1 189.180 2.291 10 0 AEAEMO c1ccc2c(c1)CC[N@@H+]1C[C@@H]3C[C@@H]3[C@@H]21 257831106 573565563 /nfs/dbraw/zinc/56/55/63/573565563.db2.gz JMIPOUPZNDXKPA-WCFLWFBJSA-N 1 1 185.270 2.236 10 0 AEAEMO C[NH2+]CC(F)(F)Cc1ccc(C)cc1 257831658 573565728 /nfs/dbraw/zinc/56/57/28/573565728.db2.gz HODGBWQWNAGTJA-UHFFFAOYSA-N 1 1 199.244 2.392 10 0 AEAEMO CCCC[N@H+]1CCC[C@@H](O)C1(C)C 258779592 573568427 /nfs/dbraw/zinc/56/84/27/573568427.db2.gz LWHZXSRCOCVOSM-SNVBAGLBSA-N 1 1 185.311 2.022 10 0 AEAEMO CC[NH2+][C@H]1CC[N@H+](CC(CC)CC)C1 130383902 573568581 /nfs/dbraw/zinc/56/85/81/573568581.db2.gz WJFFHGCLBRFVEK-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[NH2+][C@H]1CC[N@@H+](CC(CC)CC)C1 130383902 573568587 /nfs/dbraw/zinc/56/85/87/573568587.db2.gz WJFFHGCLBRFVEK-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[NH2+][C@@H]1CC[N@H+](CC(CC)CC)C1 130384116 573568643 /nfs/dbraw/zinc/56/86/43/573568643.db2.gz WJFFHGCLBRFVEK-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[NH2+][C@@H]1CC[N@@H+](CC(CC)CC)C1 130384116 573568647 /nfs/dbraw/zinc/56/86/47/573568647.db2.gz WJFFHGCLBRFVEK-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO Cc1[nH+]c(Nc2ccc[nH]2)ccc1N 258778432 573568319 /nfs/dbraw/zinc/56/83/19/573568319.db2.gz KPCPUVGFWTWJRM-UHFFFAOYSA-N 1 1 188.234 2.044 10 0 AEAEMO Cc1ccc(C(F)(F)[C@@H]2CC[NH2+]2)cc1 257831891 573569850 /nfs/dbraw/zinc/56/98/50/573569850.db2.gz JOUHPDBKUOVVOR-JTQLQIEISA-N 1 1 197.228 2.449 10 0 AEAEMO FC1(F)C[NH2+]CC[C@H]1C1CCCC1 257832047 573570082 /nfs/dbraw/zinc/57/00/82/573570082.db2.gz KHXXMDDPPMUPBL-VIFPVBQESA-N 1 1 189.249 2.421 10 0 AEAEMO C[C@H]1CCC[C@@H]2CCC[N@@H+]12 59620300 573570169 /nfs/dbraw/zinc/57/01/69/573570169.db2.gz ABPWFSWOJBTVFX-DTWKUNHWSA-N 1 1 139.242 2.023 10 0 AEAEMO Cc1cc(C[C@@H](C)[C@@H](C)O)cc(C)[nH+]1 238444144 573570325 /nfs/dbraw/zinc/57/03/25/573570325.db2.gz CWQSXSJVQLOSHN-LDYMZIIASA-N 1 1 193.290 2.258 10 0 AEAEMO Cc1ccc(C(F)(F)[C@H]2CC[NH2+]2)cc1 257831893 573570403 /nfs/dbraw/zinc/57/04/03/573570403.db2.gz JOUHPDBKUOVVOR-SNVBAGLBSA-N 1 1 197.228 2.449 10 0 AEAEMO CCCC[C@@H](C)[N@@H+](C)C1(CN)CCC1 308633575 573573547 /nfs/dbraw/zinc/57/35/47/573573547.db2.gz AFSAXZQVCSEYOE-LLVKDONJSA-N 1 1 198.354 2.378 10 0 AEAEMO Cc1ccc(C)c(C(=O)C[NH3+])c1Cl 214918405 573577003 /nfs/dbraw/zinc/57/70/03/573577003.db2.gz NIAZUALNPJXLEX-UHFFFAOYSA-N 1 1 197.665 2.098 10 0 AEAEMO C[C@@H]([NH2+][C@H](C)[C@@H](C)N)C1CCCCC1 308637366 573583931 /nfs/dbraw/zinc/58/39/31/573583931.db2.gz BLOCXECDQSJXJN-GMTAPVOTSA-N 1 1 198.354 2.281 10 0 AEAEMO CCCCC[N@H+]1CCC[C@H](O)C1(C)C 259519234 573583986 /nfs/dbraw/zinc/58/39/86/573583986.db2.gz VDKGQNYPZBBBAG-NSHDSACASA-N 1 1 199.338 2.412 10 0 AEAEMO C[N@@H+](CCC1CCC1)C(C)(C)CCO 258798067 573584035 /nfs/dbraw/zinc/58/40/35/573584035.db2.gz JVEAMRAKPWPJCE-UHFFFAOYSA-N 1 1 199.338 2.269 10 0 AEAEMO C[C@H](CCN(C)C)[NH2+]CCC1(C)CC1 308637409 573584073 /nfs/dbraw/zinc/58/40/73/573584073.db2.gz CUXMWAYZATVKDY-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CNC(C)(C)C[NH2+]CCCC(C)C 258797446 573585809 /nfs/dbraw/zinc/58/58/09/573585809.db2.gz DDMVDIHHUDCWSP-UHFFFAOYSA-N 1 1 186.343 2.010 10 0 AEAEMO CCCCC[N@H+]1CCCCN[C@@H](C)C1 259519314 573587425 /nfs/dbraw/zinc/58/74/25/573587425.db2.gz VFMJSTRHIBKDOU-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCN1CCCC[NH2+][C@@H](C)C1 259519314 573587430 /nfs/dbraw/zinc/58/74/30/573587430.db2.gz VFMJSTRHIBKDOU-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CC(C)[C@@H]([NH3+])c1n[nH]c2ccccc12 107419734 573587481 /nfs/dbraw/zinc/58/74/81/573587481.db2.gz FVRXGYKBRNGTGI-SNVBAGLBSA-N 1 1 189.262 2.219 10 0 AEAEMO Cc1cc(Nc2ccc[nH]2)[nH+]cc1N 258801942 573587578 /nfs/dbraw/zinc/58/75/78/573587578.db2.gz MGMDABMXFVAPNT-UHFFFAOYSA-N 1 1 188.234 2.044 10 0 AEAEMO CCCCC[N@H+]1CCC[C@@H](O)C1(C)C 259519233 573587825 /nfs/dbraw/zinc/58/78/25/573587825.db2.gz VDKGQNYPZBBBAG-LLVKDONJSA-N 1 1 199.338 2.412 10 0 AEAEMO C[N@@H+](CCC1CC1)[C@@H]1CCC[C@@H](O)C1 308640246 573587905 /nfs/dbraw/zinc/58/79/05/573587905.db2.gz DOAMVVQJXNCZRH-VXGBXAGGSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)[C@H]([NH3+])c1n[nH]c2ccccc12 107419729 573588021 /nfs/dbraw/zinc/58/80/21/573588021.db2.gz FVRXGYKBRNGTGI-JTQLQIEISA-N 1 1 189.262 2.219 10 0 AEAEMO C[N@@H+](CCC1CC1)[C@@H]1CCC[C@H](O)C1 308640243 573588048 /nfs/dbraw/zinc/58/80/48/573588048.db2.gz DOAMVVQJXNCZRH-NEPJUHHUSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCc1nc([C@H](C)CC[NH3+])[nH]c1C 258800362 573588103 /nfs/dbraw/zinc/58/81/03/573588103.db2.gz WRPCXQXCSCEAAG-MRVPVSSYSA-N 1 1 195.310 2.123 10 0 AEAEMO CCCc1[nH]c([C@H](C)CC[NH3+])nc1C 258800362 573588109 /nfs/dbraw/zinc/58/81/09/573588109.db2.gz WRPCXQXCSCEAAG-MRVPVSSYSA-N 1 1 195.310 2.123 10 0 AEAEMO CN[C@H](C)C[N@@H+]1CCCC(C)(C)CC1 83680362 573590982 /nfs/dbraw/zinc/59/09/82/573590982.db2.gz DZBNRLVQBXTROP-LLVKDONJSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](N)C[N@H+]1CCCC(C)(C)CC1 83680440 573590404 /nfs/dbraw/zinc/59/04/04/573590404.db2.gz OEBAAKNKWZBULM-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H]([NH3+])CN1CCCC(C)(C)CC1 83680440 573590411 /nfs/dbraw/zinc/59/04/11/573590411.db2.gz OEBAAKNKWZBULM-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[C@H]1CC[N@H+]([C@H](CC)CO)C1 308631123 573590602 /nfs/dbraw/zinc/59/06/02/573590602.db2.gz UQYONRLARMKSHA-NWDGAFQWSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@H](N)C[N@H+]1CCCC(C)(C)CC1 83680442 573590861 /nfs/dbraw/zinc/59/08/61/573590861.db2.gz OEBAAKNKWZBULM-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@H]([NH3+])CN1CCCC(C)(C)CC1 83680442 573590869 /nfs/dbraw/zinc/59/08/69/573590869.db2.gz OEBAAKNKWZBULM-LLVKDONJSA-N 1 1 198.354 2.236 10 0 AEAEMO CC(=O)CC[N@H+]1CCCC(C)(C)CC1 83680758 573592290 /nfs/dbraw/zinc/59/22/90/573592290.db2.gz OTUBYRXFMURACY-UHFFFAOYSA-N 1 1 197.322 2.478 10 0 AEAEMO C[N@@H+](CCC1CC1)[C@H]1CCC[C@@H](O)C1 308640244 573592361 /nfs/dbraw/zinc/59/23/61/573592361.db2.gz DOAMVVQJXNCZRH-NWDGAFQWSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(=O)[C@H](C)[N@H+]1CCCC(C)(C)CC1 83680764 573592516 /nfs/dbraw/zinc/59/25/16/573592516.db2.gz PHEGMENWZQXAOF-JTQLQIEISA-N 1 1 197.322 2.476 10 0 AEAEMO CC[N@@H+](C)[C@@H]1CCc2cc(N)ccc21 86731108 573592570 /nfs/dbraw/zinc/59/25/70/573592570.db2.gz YUEPVVDKBGPWCQ-GFCCVEGCSA-N 1 1 190.290 2.208 10 0 AEAEMO CC1(C)CCC[N@H+](C(C)(C)CN)CC1 83680204 573592659 /nfs/dbraw/zinc/59/26/59/573592659.db2.gz GLBJGQUPJIYGBZ-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO Cc1cc(C[C@H](C)[C@H](C)O)cc(C)[nH+]1 238455889 573594221 /nfs/dbraw/zinc/59/42/21/573594221.db2.gz CWQSXSJVQLOSHN-KWQFWETISA-N 1 1 193.290 2.258 10 0 AEAEMO Cc1[nH]cc(C2CCCC2)[nH+]1 259136844 573594389 /nfs/dbraw/zinc/59/43/89/573594389.db2.gz RHOBDURNVIRBRV-UHFFFAOYSA-N 1 1 150.225 2.376 10 0 AEAEMO C[C@H](N)[C@H](C)[N@H+]1CCCC(C)(C)CC1 83680410 573594662 /nfs/dbraw/zinc/59/46/62/573594662.db2.gz SPDMTBSUXLELGF-QWRGUYRKSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H]1CC[N@@H+](Cc2cc[nH]c2)C1 306298439 573602160 /nfs/dbraw/zinc/60/21/60/573602160.db2.gz XQQRUWOJTFBZGQ-JTQLQIEISA-N 1 1 178.279 2.247 10 0 AEAEMO CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)N)[C@H]1C 308649257 573607162 /nfs/dbraw/zinc/60/71/62/573607162.db2.gz JCOQZICXZKPJGA-AXFHLTTASA-N 1 1 198.354 2.138 10 0 AEAEMO CC[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H](C)N)[C@H]1C 308648905 573607361 /nfs/dbraw/zinc/60/73/61/573607361.db2.gz IWAHFYNWTXDVTL-KQSJRHEJSA-N 1 1 198.354 2.136 10 0 AEAEMO Cc1oc(C[NH3+])nc1[C@H]1CCCS1 258069172 573610252 /nfs/dbraw/zinc/61/02/52/573610252.db2.gz LJNTYYBLEIAPFK-SSDOTTSWSA-N 1 1 198.291 2.010 10 0 AEAEMO CC(=O)CCC1=CCC[N@H+](C(C)C)C1 258068481 573610287 /nfs/dbraw/zinc/61/02/87/573610287.db2.gz MCQQIIIXNKRISX-UHFFFAOYSA-N 1 1 195.306 2.396 10 0 AEAEMO CCc1cc2[nH]c(C)cc2c(OC)[nH+]1 142758445 573611528 /nfs/dbraw/zinc/61/15/28/573611528.db2.gz IPMJEPGYJHRTAL-UHFFFAOYSA-N 1 1 190.246 2.442 10 0 AEAEMO CC[C@@H](C)[N@H+]1CC[C@@H](CO)CC1(C)C 259534820 573628927 /nfs/dbraw/zinc/62/89/27/573628927.db2.gz WGISGIGJQSCGFW-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CNCC(C)(C)[NH2+]CC1CCCCC1 258825473 573629170 /nfs/dbraw/zinc/62/91/70/573629170.db2.gz LTGVEKUPJCHYTK-UHFFFAOYSA-N 1 1 198.354 2.154 10 0 AEAEMO CC[C@@](C)(N)C[N@H+]1CCCC(C)(C)C1 86810496 573629235 /nfs/dbraw/zinc/62/92/35/573629235.db2.gz DGINLIQWRCOPOM-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@@](C)([NH3+])CN1CCCC(C)(C)C1 86810496 573629242 /nfs/dbraw/zinc/62/92/42/573629242.db2.gz DGINLIQWRCOPOM-GFCCVEGCSA-N 1 1 198.354 2.236 10 0 AEAEMO C[C@H]([NH3+])c1nc(C2CCCC2)co1 259533108 573629357 /nfs/dbraw/zinc/62/93/57/573629357.db2.gz BEOIBFUKONYDEY-ZETCQYMHSA-N 1 1 180.251 2.352 10 0 AEAEMO CC[C@](C)(N)C[N@H+]1CCCC(C)(C)C1 86810493 573632164 /nfs/dbraw/zinc/63/21/64/573632164.db2.gz DGINLIQWRCOPOM-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@](C)([NH3+])CN1CCCC(C)(C)C1 86810493 573632169 /nfs/dbraw/zinc/63/21/69/573632169.db2.gz DGINLIQWRCOPOM-LBPRGKRZSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@](C)(N)C[NH2+]C1(C)CCCCC1 86809985 573632296 /nfs/dbraw/zinc/63/22/96/573632296.db2.gz JXBREXXTXURDKV-NSHDSACASA-N 1 1 198.354 2.426 10 0 AEAEMO CCCCc1nnc([C@@H](C)[NH2+]CC)o1 50618867 573632333 /nfs/dbraw/zinc/63/23/33/573632333.db2.gz ZDHVOKPKWNRXNQ-MRVPVSSYSA-N 1 1 197.282 2.083 10 0 AEAEMO CCC[C@H](C)c1nnc([C@@H](C)[NH2+]C)o1 50618520 573632367 /nfs/dbraw/zinc/63/23/67/573632367.db2.gz DELPEIYLJRLUSP-JGVFFNPUSA-N 1 1 197.282 2.254 10 0 AEAEMO CC[NH2+][C@@H](C)c1nnc([C@H](C)CC)o1 50618857 573632383 /nfs/dbraw/zinc/63/23/83/573632383.db2.gz VXXMCNRPPHXYDL-SFYZADRCSA-N 1 1 197.282 2.254 10 0 AEAEMO CC[C@](C)(N)C[N@H+]1C[C@H](C)CC[C@@H]1C 86810688 573632469 /nfs/dbraw/zinc/63/24/69/573632469.db2.gz LWISEGNHDFAMPG-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@](C)([NH3+])CN1C[C@H](C)CC[C@@H]1C 86810688 573632474 /nfs/dbraw/zinc/63/24/74/573632474.db2.gz LWISEGNHDFAMPG-WOPDTQHZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@](C)(N)C[N@H+]1CCCCC[C@@H]1C 86810510 573632565 /nfs/dbraw/zinc/63/25/65/573632565.db2.gz RXVOAICUNHPTDF-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CC[NH2+][C@@H](C)c1nnc(C2CCC2)o1 50618909 573632779 /nfs/dbraw/zinc/63/27/79/573632779.db2.gz SNUGWZUUFIGDKE-ZETCQYMHSA-N 1 1 195.266 2.008 10 0 AEAEMO CC[NH2+][C@H](C)c1nnc(C2CCC2)o1 50618910 573632832 /nfs/dbraw/zinc/63/28/32/573632832.db2.gz SNUGWZUUFIGDKE-SSDOTTSWSA-N 1 1 195.266 2.008 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@H+]1C[C@@H](O)C1CC1 224248866 573638012 /nfs/dbraw/zinc/63/80/12/573638012.db2.gz VFTALHCRHZZXFC-MVWJERBFSA-N 1 1 197.322 2.020 10 0 AEAEMO CC[C@H](N)[C@@H]([N@H+](C)C1CC1)C(C)(C)C 43292102 573638864 /nfs/dbraw/zinc/63/88/64/573638864.db2.gz QVSPDIBQCBLOEF-WDEREUQCSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@H](N)[C@@H]([N@@H+](C)C1CC1)C(C)(C)C 43292102 573638868 /nfs/dbraw/zinc/63/88/68/573638868.db2.gz QVSPDIBQCBLOEF-WDEREUQCSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@H](N)[C@H]([N@@H+](C)CC)C(C)(C)C 43292074 573638909 /nfs/dbraw/zinc/63/89/09/573638909.db2.gz VCGDLWWKMUHNGS-UWVGGRQHSA-N 1 1 186.343 2.090 10 0 AEAEMO CC[C@H]([NH3+])[C@H](N(C)CC)C(C)(C)C 43292074 573638915 /nfs/dbraw/zinc/63/89/15/573638915.db2.gz VCGDLWWKMUHNGS-UWVGGRQHSA-N 1 1 186.343 2.090 10 0 AEAEMO CCOC(=[NH2+])C1Cc2ccccc2C1 83802742 573639240 /nfs/dbraw/zinc/63/92/40/573639240.db2.gz GSDSTZMERQXHIK-UHFFFAOYSA-N 1 1 189.258 2.415 10 0 AEAEMO CCCC[C@H](C)[N@@H+](C)C[C@H](N)C1CC1 308652758 573639285 /nfs/dbraw/zinc/63/92/85/573639285.db2.gz LIBSZLNWWKQUQN-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCC[C@H](C)N(C)C[C@H]([NH3+])C1CC1 308652758 573639290 /nfs/dbraw/zinc/63/92/90/573639290.db2.gz LIBSZLNWWKQUQN-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[N@@H+](C(C)C)[C@@H]1CCC(C)(C)[C@@H]1N 86856131 573655767 /nfs/dbraw/zinc/65/57/67/573655767.db2.gz JGZVZNRKKSDRTO-GHMZBOCLSA-N 1 1 198.354 2.233 10 0 AEAEMO COc1cc(N)cc(C2CCCC2)[nH+]1 257841679 573656313 /nfs/dbraw/zinc/65/63/13/573656313.db2.gz MJPGFTUMJVPVGM-UHFFFAOYSA-N 1 1 192.262 2.330 10 0 AEAEMO CCCCc1[nH]c(NC)[nH+]c1C 258859410 573663547 /nfs/dbraw/zinc/66/35/47/573663547.db2.gz RCKXFVLQQVVHEN-UHFFFAOYSA-N 1 1 167.256 2.102 10 0 AEAEMO CC[C@@H](C)[C@H](O)C[N@@H+](C)CCC1CC1 308664093 573663633 /nfs/dbraw/zinc/66/36/33/573663633.db2.gz RLPAPMOZDMDUCN-ZYHUDNBSSA-N 1 1 199.338 2.125 10 0 AEAEMO C[N@@H+](CC(C)(C)C)C(C)(C)CCO 258862125 573663847 /nfs/dbraw/zinc/66/38/47/573663847.db2.gz ONPJQZGMAFLJHN-UHFFFAOYSA-N 1 1 187.327 2.125 10 0 AEAEMO CCNc1ccc(C)[nH+]c1C 83823812 573663967 /nfs/dbraw/zinc/66/39/67/573663967.db2.gz IVEWZEQKQKKLDD-UHFFFAOYSA-N 1 1 150.225 2.130 10 0 AEAEMO C[N@@H+](C[C@H]1CCC(C)(C)C1=O)C1CC1 86870784 573664206 /nfs/dbraw/zinc/66/42/06/573664206.db2.gz NXZTVPYXYCOLQX-SECBINFHSA-N 1 1 195.306 2.086 10 0 AEAEMO CC(C)C[N@H+]1CCC(=O)CC1(C)C 258859132 573668686 /nfs/dbraw/zinc/66/86/86/573668686.db2.gz RAQHKCNSRIPIBW-UHFFFAOYSA-N 1 1 183.295 2.086 10 0 AEAEMO CCCC(C)(C)CNC[C@H]1CCC[NH2+]1 258861349 573669241 /nfs/dbraw/zinc/66/92/41/573669241.db2.gz ISYVOWUOFOOUTE-LLVKDONJSA-N 1 1 198.354 2.154 10 0 AEAEMO C[C@@H]([NH3+])c1[nH]ncc1C1CCCC1 257846399 573679679 /nfs/dbraw/zinc/67/96/79/573679679.db2.gz QDHGVJYUOBVWFV-SSDOTTSWSA-N 1 1 179.267 2.087 10 0 AEAEMO CO[C@@H](C)[C@H](C)[N@@H+](C)CCC(C)C 308416237 573682926 /nfs/dbraw/zinc/68/29/26/573682926.db2.gz NFBJSQUMNDEDMW-QWRGUYRKSA-N 1 1 187.327 2.388 10 0 AEAEMO CC[C@@H](C(C)C)[N@H+]1CCNCC1(C)C 83842363 573682483 /nfs/dbraw/zinc/68/24/83/573682483.db2.gz XOAIGTFSQJNNQV-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CO[C@H](C)[C@H](C)[N@@H+](C)CCC(C)C 308416240 573682628 /nfs/dbraw/zinc/68/26/28/573682628.db2.gz NFBJSQUMNDEDMW-WDEREUQCSA-N 1 1 187.327 2.388 10 0 AEAEMO CC[C@@H]1C[C@H](C)C[N@H+]1CC(C)(C)CO 308415742 573682646 /nfs/dbraw/zinc/68/26/46/573682646.db2.gz KLJHXVPIKPFDTC-WDEREUQCSA-N 1 1 199.338 2.125 10 0 AEAEMO CCCC[C@H](CC)C[N@H+]1CC[C@@H](N)C1 130838462 573682774 /nfs/dbraw/zinc/68/27/74/573682774.db2.gz NDVJGPJEUDBRHI-NWDGAFQWSA-N 1 1 198.354 2.236 10 0 AEAEMO CCCC[C@@H](CC)C[N@H+]1CC[C@@H](N)C1 130838288 573682846 /nfs/dbraw/zinc/68/28/46/573682846.db2.gz NDVJGPJEUDBRHI-VXGBXAGGSA-N 1 1 198.354 2.236 10 0 AEAEMO CC1(C)CC[N@H+](C2CCCC2)C[C@@H]1O 259157460 573686146 /nfs/dbraw/zinc/68/61/46/573686146.db2.gz FWUULQHSMXXLNC-NSHDSACASA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)[C@](C)(O)C[N@@H+](C)CCC1CC1 308672574 573686245 /nfs/dbraw/zinc/68/62/45/573686245.db2.gz VMMRPBWTQSDXEW-GFCCVEGCSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@H+]1CCNCC1(C)C 83842333 573686694 /nfs/dbraw/zinc/68/66/94/573686694.db2.gz LIWWWIBITNNNPJ-QWRGUYRKSA-N 1 1 198.354 2.105 10 0 AEAEMO C[C@@H]1CC[C@H]2[C@@H](C1)[N@H+](C)OC2(C)C 197463985 573697289 /nfs/dbraw/zinc/69/72/89/573697289.db2.gz ROONJDRBOVFSCQ-KXUCPTDWSA-N 1 1 183.295 2.447 10 0 AEAEMO C[C@@H]1CC[C@H]2[C@@H](C1)[N@@H+](C)OC2(C)C 197463985 573697296 /nfs/dbraw/zinc/69/72/96/573697296.db2.gz ROONJDRBOVFSCQ-KXUCPTDWSA-N 1 1 183.295 2.447 10 0 AEAEMO CC[C@H](C)[N@@H+](CC(C)(C)O)C1CC1 393551221 573697410 /nfs/dbraw/zinc/69/74/10/573697410.db2.gz AQCVPLBUWBMAJM-VIFPVBQESA-N 1 1 185.311 2.020 10 0 AEAEMO C[C@H]1CC[C@@H](C)[N@@H+]1C[C@@H]1CCCCN1 238480791 573697414 /nfs/dbraw/zinc/69/74/14/573697414.db2.gz IATFARALGBNTBE-TUAOUCFPSA-N 1 1 196.338 2.001 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCC(=O)C(C)(C)C1 259166236 573697481 /nfs/dbraw/zinc/69/74/81/573697481.db2.gz GKGWIULZXHOYCZ-SECBINFHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)c1cc(C(=O)C[NH3+])ccc1F 258087950 573697560 /nfs/dbraw/zinc/69/75/60/573697560.db2.gz NRKHTUKMYSFUQL-UHFFFAOYSA-N 1 1 195.237 2.091 10 0 AEAEMO CO[C@H](C)[C@H](C)[N@@H+](C)CC1CCC1 308425090 573698596 /nfs/dbraw/zinc/69/85/96/573698596.db2.gz QPSGCFMXEZKWGB-VHSXEESVSA-N 1 1 185.311 2.142 10 0 AEAEMO CNc1[nH]cc(-c2ccc(C)cc2)[nH+]1 259169170 573698903 /nfs/dbraw/zinc/69/89/03/573698903.db2.gz VDMKFWIEGSYPKF-UHFFFAOYSA-N 1 1 187.246 2.427 10 0 AEAEMO CC(C)Cc1cn2cc(O)ccc2[nH+]1 258088083 573698958 /nfs/dbraw/zinc/69/89/58/573698958.db2.gz XEXOXYBBIIWROV-UHFFFAOYSA-N 1 1 190.246 2.238 10 0 AEAEMO CCCC[NH2+]CC1(NC)CCCCC1 308689112 573706544 /nfs/dbraw/zinc/70/65/44/573706544.db2.gz QUSIMUVLTZLADY-UHFFFAOYSA-N 1 1 198.354 2.298 10 0 AEAEMO CC(C)c1nc2c(s1)C[N@H+](C)CC2 75839008 573707090 /nfs/dbraw/zinc/70/70/90/573707090.db2.gz VXJIBCUIHPEXCZ-UHFFFAOYSA-N 1 1 196.319 2.254 10 0 AEAEMO CC(C)c1nc2c(s1)C[N@@H+](C)CC2 75839008 573707097 /nfs/dbraw/zinc/70/70/97/573707097.db2.gz VXJIBCUIHPEXCZ-UHFFFAOYSA-N 1 1 196.319 2.254 10 0 AEAEMO CC(C)(C)C[C@H](N)C[NH2+]C1CCCC1 258100694 573707293 /nfs/dbraw/zinc/70/72/93/573707293.db2.gz KIFZNOJFYBFLME-JTQLQIEISA-N 1 1 198.354 2.282 10 0 AEAEMO CC[N@@H+](C[C@@H](O)C(C)(C)CC)C1CC1 308689092 573707257 /nfs/dbraw/zinc/70/72/57/573707257.db2.gz QUQINKNSHQBEAF-LLVKDONJSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H]1CCCCC[C@@H]1[N@H+]1CCC(=O)C1 83949357 573711465 /nfs/dbraw/zinc/71/14/65/573711465.db2.gz RBRBPZPJKQFWIB-PWSUYJOCSA-N 1 1 195.306 2.230 10 0 AEAEMO C/C=C\C[N@@H+](CCCC)CCCO 393554561 573711581 /nfs/dbraw/zinc/71/15/81/573711581.db2.gz JYQYPFQOHQRCNM-HYXAFXHYSA-N 1 1 185.311 2.047 10 0 AEAEMO C[C@H]1CCCCC[C@H]1[N@H+]1CCC(=O)C1 83949360 573711589 /nfs/dbraw/zinc/71/15/89/573711589.db2.gz RBRBPZPJKQFWIB-CMPLNLGQSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@@H](O)CC(C)(C)C[N@H+]1CCC[C@H]1C 393554106 573711921 /nfs/dbraw/zinc/71/19/21/573711921.db2.gz YNEDBSNUTZBFDP-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCC[C@@H](C)[N@@H+](C)C[C@H](O)C1CC1 308693027 573714043 /nfs/dbraw/zinc/71/40/43/573714043.db2.gz RZUZVDNVTOAYPE-PWSUYJOCSA-N 1 1 199.338 2.268 10 0 AEAEMO CC(C)[N@H+]1CC[C@H](CCO)C(C)(C)C1 259172891 573714416 /nfs/dbraw/zinc/71/44/16/573714416.db2.gz GXJULECDEXWLFN-LLVKDONJSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@@H]1CCC[C@]2(CC1)COC(N)=[NH+]2 83964770 573714739 /nfs/dbraw/zinc/71/47/39/573714739.db2.gz VYGABPIYBNIADF-KOLCDFICSA-N 1 1 196.294 2.060 10 0 AEAEMO C/C=C/C[N@@H+](CCCC)CCCO 393554560 573714938 /nfs/dbraw/zinc/71/49/38/573714938.db2.gz JYQYPFQOHQRCNM-HWKANZROSA-N 1 1 185.311 2.047 10 0 AEAEMO CC[C@](C)([C@@H](C)O)[N@@H+](C)CC(C)C 393554206 573715085 /nfs/dbraw/zinc/71/50/85/573715085.db2.gz IWWYTSDENCONOV-GHMZBOCLSA-N 1 1 187.327 2.124 10 0 AEAEMO C[C@H](O)CC(C)(C)C[N@H+]1CCC[C@@H]1C 393554108 573715136 /nfs/dbraw/zinc/71/51/36/573715136.db2.gz YNEDBSNUTZBFDP-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO CC1(C)CCC[C@@]2(CC1)COC(N)=[NH+]2 83952606 573715202 /nfs/dbraw/zinc/71/52/02/573715202.db2.gz XKQVSRZXXLNJPX-LLVKDONJSA-N 1 1 196.294 2.060 10 0 AEAEMO CCOCc1c[nH+]c(C)n1C(C)C 258110771 573731348 /nfs/dbraw/zinc/73/13/48/573731348.db2.gz JBQMDARMMFGERD-UHFFFAOYSA-N 1 1 182.267 2.309 10 0 AEAEMO C[N@H+]1CCC[C@@H](c2ccccc2O)C1 75906224 573731357 /nfs/dbraw/zinc/73/13/57/573731357.db2.gz RKCJXBZRJUUSRR-SNVBAGLBSA-N 1 1 191.274 2.201 10 0 AEAEMO C[C@@H](CCC(C)(C)C)[N@@H+](C)CCN 393558002 573731441 /nfs/dbraw/zinc/73/14/41/573731441.db2.gz TUGCPBKURKKQCJ-JTQLQIEISA-N 1 1 186.343 2.092 10 0 AEAEMO C[C@@H](CCC(C)(C)C)N(C)CC[NH3+] 393558002 573731443 /nfs/dbraw/zinc/73/14/43/573731443.db2.gz TUGCPBKURKKQCJ-JTQLQIEISA-N 1 1 186.343 2.092 10 0 AEAEMO C[N@H+]1CCC[C@H](c2ccccc2O)C1 75906223 573731812 /nfs/dbraw/zinc/73/18/12/573731812.db2.gz RKCJXBZRJUUSRR-JTQLQIEISA-N 1 1 191.274 2.201 10 0 AEAEMO C[N@H+]1CCC[C@H](c2ccccc2N)C1 75906220 573732250 /nfs/dbraw/zinc/73/22/50/573732250.db2.gz VCHKTQBNLMZZJE-JTQLQIEISA-N 1 1 190.290 2.078 10 0 AEAEMO CC[NH+](CC)[C@H](C)c1coc(CN)c1 257859199 573739118 /nfs/dbraw/zinc/73/91/18/573739118.db2.gz QPNMRGFWQMYBGG-SECBINFHSA-N 1 1 196.294 2.141 10 0 AEAEMO CC(=O)c1ccc2cc[nH+]c(N)c2c1 238071969 573739438 /nfs/dbraw/zinc/73/94/38/573739438.db2.gz ZLDDLZZHSVCCBR-UHFFFAOYSA-N 1 1 186.214 2.020 10 0 AEAEMO FC1(C[N@@H+](CC2CC2)C2CC2)CC1 308427717 573739608 /nfs/dbraw/zinc/73/96/08/573739608.db2.gz YAZIUQGMWAUZCE-UHFFFAOYSA-N 1 1 183.270 2.363 10 0 AEAEMO CCCC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@@H]1N 308702496 573744920 /nfs/dbraw/zinc/74/49/20/573744920.db2.gz VJYZJOWIWBLVFA-SDDRHHMPSA-N 1 1 198.354 2.377 10 0 AEAEMO CCCC[C@H](C)N(C)[C@@H]1CCC[C@@H]1[NH3+] 308702496 573744923 /nfs/dbraw/zinc/74/49/23/573744923.db2.gz VJYZJOWIWBLVFA-SDDRHHMPSA-N 1 1 198.354 2.377 10 0 AEAEMO Cc1c[nH+]c(C(F)F)c(C)c1N 238501126 573746529 /nfs/dbraw/zinc/74/65/29/573746529.db2.gz ZABUKATZXJHMMR-UHFFFAOYSA-N 1 1 172.178 2.218 10 0 AEAEMO [NH3+]C1(c2cccc3nc[nH]c23)CC=CC1 74215009 573746536 /nfs/dbraw/zinc/74/65/36/573746536.db2.gz VHAVQHDMUYBFCE-UHFFFAOYSA-N 1 1 199.257 2.067 10 0 AEAEMO CC(C)[C@H](CN)[N@H+]1C[C@H](C)CC[C@@H]1C 84045379 573746583 /nfs/dbraw/zinc/74/65/83/573746583.db2.gz RPMNAOALIZJHCZ-WOPDTQHZSA-N 1 1 198.354 2.090 10 0 AEAEMO CC1=CC=C[NH+]=C(OC(C)(C)C)N1 238497822 573747762 /nfs/dbraw/zinc/74/77/62/573747762.db2.gz GENYZSSTVRAPKE-UHFFFAOYSA-N 1 1 180.251 2.178 10 0 AEAEMO CCCC[C@H](C)[N@@H+](C)[C@H]1CCC[C@@H]1N 308702497 573747803 /nfs/dbraw/zinc/74/78/03/573747803.db2.gz VJYZJOWIWBLVFA-SRVKXCTJSA-N 1 1 198.354 2.377 10 0 AEAEMO CCCC[C@H](C)N(C)[C@H]1CCC[C@@H]1[NH3+] 308702497 573747815 /nfs/dbraw/zinc/74/78/15/573747815.db2.gz VJYZJOWIWBLVFA-SRVKXCTJSA-N 1 1 198.354 2.377 10 0 AEAEMO CC[C@](C)(CN)[N@H+]1C[C@H](C)CC[C@@H]1C 84045632 573748159 /nfs/dbraw/zinc/74/81/59/573748159.db2.gz ZKZWKALPFHDNGD-GRYCIOLGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC1(C)CC[N@H+](C2CCC(O)CC2)C1 108308555 573748220 /nfs/dbraw/zinc/74/82/20/573748220.db2.gz OMIVFMMVYMKCAM-UHFFFAOYSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H](N)[C@H](C)[N@H+]1C[C@H](C)CC[C@@H]1C 84046665 573748286 /nfs/dbraw/zinc/74/82/86/573748286.db2.gz HANBQMSQCVZNQH-RHYQMDGZSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@@H](N)C[NH2+][C@@]1(C)CCCC[C@H]1C 308705118 573750775 /nfs/dbraw/zinc/75/07/75/573750775.db2.gz YRGJQHVRJMBVLK-UTUOFQBUSA-N 1 1 198.354 2.282 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1C1CCC(O)CC1 108308547 573751056 /nfs/dbraw/zinc/75/10/56/573751056.db2.gz DTHBJRDJFMEFIP-VOMCLLRMSA-N 1 1 197.322 2.164 10 0 AEAEMO C[C@@H]1C[C@H](N)C[N@@H+](CCC(C)(C)C)C1 87040098 573751262 /nfs/dbraw/zinc/75/12/62/573751262.db2.gz RSSNJIKYQBYMQM-MNOVXSKESA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@@H]1CC[N@H+]([C@@H]2CCC[C@H](O)C2)C1 108308571 573751308 /nfs/dbraw/zinc/75/13/08/573751308.db2.gz QBUJPFQBXSZTDU-UTUOFQBUSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(=O)C[C@H](C)[N@H+]1C[C@@H](C)CC[C@@H]1C 84050237 573751431 /nfs/dbraw/zinc/75/14/31/573751431.db2.gz NTLAUSHERCNIIW-DCAQKATOSA-N 1 1 197.322 2.474 10 0 AEAEMO C[C@@H]1C[C@@H](N)C[N@@H+](CCC(C)(C)C)C1 87040101 573751509 /nfs/dbraw/zinc/75/15/09/573751509.db2.gz RSSNJIKYQBYMQM-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO CC[C@H](N)C[NH2+][C@@]1(C)CCCC[C@H]1C 308705119 573754144 /nfs/dbraw/zinc/75/41/44/573754144.db2.gz YRGJQHVRJMBVLK-WOPDTQHZSA-N 1 1 198.354 2.282 10 0 AEAEMO CC[C@H](N)C[NH2+][C@]1(C)CCCC[C@H]1C 308705111 573754243 /nfs/dbraw/zinc/75/42/43/573754243.db2.gz YRGJQHVRJMBVLK-GRYCIOLGSA-N 1 1 198.354 2.282 10 0 AEAEMO CC(C)[C@@H](N)C[N@H+]1C[C@H](C)CC[C@@H]1C 84051718 573754332 /nfs/dbraw/zinc/75/43/32/573754332.db2.gz RXPWZOSBWJJINC-WOPDTQHZSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@@H]([NH3+])CN1C[C@H](C)CC[C@@H]1C 84051718 573754338 /nfs/dbraw/zinc/75/43/38/573754338.db2.gz RXPWZOSBWJJINC-WOPDTQHZSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@@H](N)C[N@H+]1C[C@H](C)CC[C@H]1C 84051724 573754592 /nfs/dbraw/zinc/75/45/92/573754592.db2.gz RXPWZOSBWJJINC-UTUOFQBUSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@@H]([NH3+])CN1C[C@H](C)CC[C@H]1C 84051724 573754597 /nfs/dbraw/zinc/75/45/97/573754597.db2.gz RXPWZOSBWJJINC-UTUOFQBUSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@H](C)[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1 224649120 573754773 /nfs/dbraw/zinc/75/47/73/573754773.db2.gz HJZOBXBCOKWKHA-HBNTYKKESA-N 1 1 198.354 2.009 10 0 AEAEMO CC(=O)[C@H](C)[N@H+]1C[C@@H](C)CC[C@H]1C 84050128 573754825 /nfs/dbraw/zinc/75/48/25/573754825.db2.gz FYXMATGIGDTPSU-AEJSXWLSSA-N 1 1 183.295 2.084 10 0 AEAEMO CC(=O)C[C@H](C)[N@H+]1C[C@H](C)CC[C@H]1C 84050241 573754857 /nfs/dbraw/zinc/75/48/57/573754857.db2.gz NTLAUSHERCNIIW-MXWKQRLJSA-N 1 1 197.322 2.474 10 0 AEAEMO CNC(C)(C)C[N@@H+]1C[C@H](C)CC[C@@H]1C 84051638 573755929 /nfs/dbraw/zinc/75/59/29/573755929.db2.gz PMBMUJSVSWXFOQ-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO C[N@H+]1CCC[C@@H]1c1ccccc1C=O 257867269 573755934 /nfs/dbraw/zinc/75/59/34/573755934.db2.gz SHTVLGKTCFJYOI-GFCCVEGCSA-N 1 1 189.258 2.266 10 0 AEAEMO CNC(C)(C)C[N@H+]1C[C@H](C)CC[C@@H]1C 84051638 573755935 /nfs/dbraw/zinc/75/59/35/573755935.db2.gz PMBMUJSVSWXFOQ-MNOVXSKESA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)[C@@H](N)C[N@H+]1C[C@@H](C)CC[C@@H]1C 84051721 573755177 /nfs/dbraw/zinc/75/51/77/573755177.db2.gz RXPWZOSBWJJINC-SRVKXCTJSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@@H]([NH3+])CN1C[C@@H](C)CC[C@@H]1C 84051721 573755182 /nfs/dbraw/zinc/75/51/82/573755182.db2.gz RXPWZOSBWJJINC-SRVKXCTJSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(=O)CC[N@H+]1C[C@@H](C)CC[C@@H]1C 84050190 573755376 /nfs/dbraw/zinc/75/53/76/573755376.db2.gz CDROIDABBGHCNJ-UWVGGRQHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)C[N@H+]1CC[C@H](CCO)C1(C)C 259565510 573755500 /nfs/dbraw/zinc/75/55/00/573755500.db2.gz YFTAQWLRQXQHHS-LLVKDONJSA-N 1 1 199.338 2.125 10 0 AEAEMO CC[C@H](C)[C@@H]1C[NH2+][C@@H](CC(C)C)CN1 224649399 573755740 /nfs/dbraw/zinc/75/57/40/573755740.db2.gz SVOYKXWQOVHQRM-SRVKXCTJSA-N 1 1 198.354 2.009 10 0 AEAEMO N[C@@H]1CCCC[C@@H]1[NH2+]CCC1CCC1 258910586 573755804 /nfs/dbraw/zinc/75/58/04/573755804.db2.gz IFVNXAJMDOIZLI-NEPJUHHUSA-N 1 1 196.338 2.036 10 0 AEAEMO C[C@H]1CC[C@@H](C)[N@@H+](CC(=O)C2CC2)C1 84050228 573756054 /nfs/dbraw/zinc/75/60/54/573756054.db2.gz NIGVQQIJEYIYDP-VHSXEESVSA-N 1 1 195.306 2.086 10 0 AEAEMO CC(=O)[C@H](C)[N@H+]1C[C@H](C)CC[C@@H]1C 84050116 573756216 /nfs/dbraw/zinc/75/62/16/573756216.db2.gz FYXMATGIGDTPSU-UTLUCORTSA-N 1 1 183.295 2.084 10 0 AEAEMO CNC(C)(C)C[N@@H+]1C[C@@H](C)CC[C@H]1C 84051648 573756346 /nfs/dbraw/zinc/75/63/46/573756346.db2.gz PMBMUJSVSWXFOQ-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CNC(C)(C)C[N@H+]1C[C@@H](C)CC[C@H]1C 84051648 573756354 /nfs/dbraw/zinc/75/63/54/573756354.db2.gz PMBMUJSVSWXFOQ-WDEREUQCSA-N 1 1 198.354 2.105 10 0 AEAEMO CC(=O)C[C@H](C)[N@H+]1C[C@@H](C)CC[C@H]1C 84050247 573756392 /nfs/dbraw/zinc/75/63/92/573756392.db2.gz NTLAUSHERCNIIW-AXFHLTTASA-N 1 1 197.322 2.474 10 0 AEAEMO N[C@H]1CCCC[C@@H]1[NH2+]CCC1CCC1 258910592 573756403 /nfs/dbraw/zinc/75/64/03/573756403.db2.gz IFVNXAJMDOIZLI-RYUDHWBXSA-N 1 1 196.338 2.036 10 0 AEAEMO CCC(=O)C[N@H+]1C[C@@H](C)CC[C@@H]1C 84050214 573756577 /nfs/dbraw/zinc/75/65/77/573756577.db2.gz AQBDNSJCSQUKMS-UWVGGRQHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@H](C)[C@H]1C[NH2+][C@@H](CC(C)C)CN1 224649488 573756619 /nfs/dbraw/zinc/75/66/19/573756619.db2.gz SVOYKXWQOVHQRM-SDDRHHMPSA-N 1 1 198.354 2.009 10 0 AEAEMO CC(=O)[C@H](C)[N@H+]1C[C@H](C)CC[C@H]1C 84050125 573756629 /nfs/dbraw/zinc/75/66/29/573756629.db2.gz FYXMATGIGDTPSU-BBBLOLIVSA-N 1 1 183.295 2.084 10 0 AEAEMO CC[C@H](C)[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1 224649029 573757116 /nfs/dbraw/zinc/75/71/16/573757116.db2.gz HJZOBXBCOKWKHA-GARJFASQSA-N 1 1 198.354 2.009 10 0 AEAEMO CC(C)C[N@H+]1CC[C@@H](CCO)C1(C)C 259565511 573757302 /nfs/dbraw/zinc/75/73/02/573757302.db2.gz YFTAQWLRQXQHHS-NSHDSACASA-N 1 1 199.338 2.125 10 0 AEAEMO CC(=O)CC[N@H+]1C[C@@H](C)CC[C@H]1C 84050195 573757458 /nfs/dbraw/zinc/75/74/58/573757458.db2.gz CDROIDABBGHCNJ-VHSXEESVSA-N 1 1 183.295 2.086 10 0 AEAEMO CCC(=O)C[N@H+]1C[C@H](C)CC[C@@H]1C 84050210 573757514 /nfs/dbraw/zinc/75/75/14/573757514.db2.gz AQBDNSJCSQUKMS-ZJUUUORDSA-N 1 1 183.295 2.086 10 0 AEAEMO C[C@H]1CCn2c(c[nH+]c2C2CC2)C1 258125938 573768724 /nfs/dbraw/zinc/76/87/24/573768724.db2.gz GTPKBVWHOJEDJS-QMMMGPOBSA-N 1 1 176.263 2.343 10 0 AEAEMO C[C@@H]1CCn2c(c[nH+]c2C2CC2)C1 258125935 573769341 /nfs/dbraw/zinc/76/93/41/573769341.db2.gz GTPKBVWHOJEDJS-MRVPVSSYSA-N 1 1 176.263 2.343 10 0 AEAEMO CCC[C@@H](C)[NH2+][C@@H](C)c1noc(C)n1 308716418 573773463 /nfs/dbraw/zinc/77/34/63/573773463.db2.gz BHRIUBNBNQNYBQ-SFYZADRCSA-N 1 1 197.282 2.217 10 0 AEAEMO CC(=O)[C@H](C)[N@@H+]1CCC[C@H]1C(C)C 84126671 573773529 /nfs/dbraw/zinc/77/35/29/573773529.db2.gz DZGWQHVRHLCTQG-ONGXEEELSA-N 1 1 183.295 2.084 10 0 AEAEMO CC[C@@H](C)[N@H+]1CC[C@H](CCO)C1(C)C 259178887 573773595 /nfs/dbraw/zinc/77/35/95/573773595.db2.gz AZTLWDBAEQUMRW-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@@H](CCO)C1(C)C 259178893 573773785 /nfs/dbraw/zinc/77/37/85/573773785.db2.gz AZTLWDBAEQUMRW-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@@H]([NH3+])[C@H](N(C)C1CCC1)C(C)(C)C 127157851 573773902 /nfs/dbraw/zinc/77/39/02/573773902.db2.gz NXJPRYYDPYSOLN-KOLCDFICSA-N 1 1 198.354 2.233 10 0 AEAEMO CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@@H]1O 84126765 573773941 /nfs/dbraw/zinc/77/39/41/573773941.db2.gz RMWPYXXPURFIHH-TUAOUCFPSA-N 1 1 197.322 2.020 10 0 AEAEMO CC(C)[C@@H]1CCC[N@@H+]1[C@@H](CN)C(C)C 84125373 573775032 /nfs/dbraw/zinc/77/50/32/573775032.db2.gz JSSGZGNUILPQSK-RYUDHWBXSA-N 1 1 198.354 2.090 10 0 AEAEMO CCC(CC)CC[NH2+]Cc1ccn[nH]1 308718479 573775039 /nfs/dbraw/zinc/77/50/39/573775039.db2.gz CEWZSRRRKJWPRK-UHFFFAOYSA-N 1 1 195.310 2.326 10 0 AEAEMO CC[C@H](C)C[N@H+]1CC[C@@H](C)C[C@@H]1CN 224844801 573775216 /nfs/dbraw/zinc/77/52/16/573775216.db2.gz YJDHPYOZWNUIIM-QJPTWQEYSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1C(C)C 84126673 573775277 /nfs/dbraw/zinc/77/52/77/573775277.db2.gz DZGWQHVRHLCTQG-GXSJLCMTSA-N 1 1 183.295 2.084 10 0 AEAEMO CCC[C@H](C)[NH2+][C@@H](C)c1noc(C)n1 308716419 573775395 /nfs/dbraw/zinc/77/53/95/573775395.db2.gz BHRIUBNBNQNYBQ-YUMQZZPRSA-N 1 1 197.282 2.217 10 0 AEAEMO CO[C@@H](C)[C@H](C)[N@@H+](C)CC(C)(C)C 308431230 573781958 /nfs/dbraw/zinc/78/19/58/573781958.db2.gz UAZZIAHJYKNFRJ-UWVGGRQHSA-N 1 1 187.327 2.388 10 0 AEAEMO CO[C@@H](C)[C@@H](C)[N@@H+](C)CC(C)(C)C 308431236 573782152 /nfs/dbraw/zinc/78/21/52/573782152.db2.gz UAZZIAHJYKNFRJ-ZJUUUORDSA-N 1 1 187.327 2.388 10 0 AEAEMO CC(C)(C)CCN[C@H]1C[NH2+]C(C)(C)C1 258939444 573782343 /nfs/dbraw/zinc/78/23/43/573782343.db2.gz YIZVLEKSHFDPDI-SNVBAGLBSA-N 1 1 198.354 2.153 10 0 AEAEMO Cc1ccc(OCCCCF)c(N)[nH+]1 393668841 573794499 /nfs/dbraw/zinc/79/44/99/573794499.db2.gz BJWBJNZCZQFLAQ-UHFFFAOYSA-N 1 1 198.241 2.101 10 0 AEAEMO C[C@H]1CC=C2CCCC[N@H+]21 100307553 573794691 /nfs/dbraw/zinc/79/46/91/573794691.db2.gz DMNASNVZFFPOER-QMMMGPOBSA-N 1 1 137.226 2.148 10 0 AEAEMO Cc1cc2[nH+]ccn2c(C)c1C 238520766 573794804 /nfs/dbraw/zinc/79/48/04/573794804.db2.gz ZENQXKRRIXNCRB-UHFFFAOYSA-N 1 1 160.220 2.260 10 0 AEAEMO C[C@H]1C=C2CCCC[N@@H+]2C1 100307535 573795052 /nfs/dbraw/zinc/79/50/52/573795052.db2.gz OIWAIFHBXVADFP-QMMMGPOBSA-N 1 1 137.226 2.006 10 0 AEAEMO C[C@@H]1C=C2CCCC[N@@H+]2C1 100307539 573795319 /nfs/dbraw/zinc/79/53/19/573795319.db2.gz OIWAIFHBXVADFP-MRVPVSSYSA-N 1 1 137.226 2.006 10 0 AEAEMO Cc1cc2[nH+]ccn2cc1OC1CC1 238520952 573795425 /nfs/dbraw/zinc/79/54/25/573795425.db2.gz HWXOKSMIRLXODK-UHFFFAOYSA-N 1 1 188.230 2.184 10 0 AEAEMO C[N@H+]1CCC[C@H]2CCC=C21 100307899 573795919 /nfs/dbraw/zinc/79/59/19/573795919.db2.gz IQJQIUOVOYZJMB-MRVPVSSYSA-N 1 1 137.226 2.006 10 0 AEAEMO C[C@H](N)C[NH2+]C(C)(C)CC(C)(C)C 43437384 573803820 /nfs/dbraw/zinc/80/38/20/573803820.db2.gz SVFMXGVVYZSUJS-VIFPVBQESA-N 1 1 186.343 2.138 10 0 AEAEMO c1cncc(-c2[nH+]cc3ccccn23)c1 258133625 573804057 /nfs/dbraw/zinc/80/40/57/573804057.db2.gz ZZDVLFWNCDLNSS-UHFFFAOYSA-N 1 1 195.225 2.396 10 0 AEAEMO CCCCC[N@@H+]1CCC(C)(C)C(=O)C1 259192224 573804549 /nfs/dbraw/zinc/80/45/49/573804549.db2.gz IFQFOVZPIMXZDZ-UHFFFAOYSA-N 1 1 197.322 2.478 10 0 AEAEMO CCCCC[N@H+]1CCC(C)(C)C(=O)C1 259192224 573804554 /nfs/dbraw/zinc/80/45/54/573804554.db2.gz IFQFOVZPIMXZDZ-UHFFFAOYSA-N 1 1 197.322 2.478 10 0 AEAEMO CC(=O)CCC[N@H+](C)C(C)(C)C 258957802 573804915 /nfs/dbraw/zinc/80/49/15/573804915.db2.gz SKQKTOYJVKQNBE-UHFFFAOYSA-N 1 1 171.284 2.086 10 0 AEAEMO C[NH2+]CC(F)(F)CC1CCCC1 257878957 573806922 /nfs/dbraw/zinc/80/69/22/573806922.db2.gz LQVBZCPQZXLXTI-UHFFFAOYSA-N 1 1 177.238 2.421 10 0 AEAEMO COCCCCCc1ccc[nH+]c1N 131269404 573806972 /nfs/dbraw/zinc/80/69/72/573806972.db2.gz KCNHWAWPBVQQDO-UHFFFAOYSA-N 1 1 194.278 2.023 10 0 AEAEMO Cc1coc([C@@H]([NH3+])c2ccncc2)c1 716192166 573807956 /nfs/dbraw/zinc/80/79/56/573807956.db2.gz ZXJJKMLWFACNKM-NSHDSACASA-N 1 1 188.230 2.031 10 0 AEAEMO C[C@@H](c1cc(C=O)ccc1F)[NH+](C)C 257882392 573807984 /nfs/dbraw/zinc/80/79/84/573807984.db2.gz VRKIYUQREQVNGV-QMMMGPOBSA-N 1 1 195.237 2.261 10 0 AEAEMO CC1(C)CC(=O)C[N@H+]1CC1CCCC1 258960707 573808079 /nfs/dbraw/zinc/80/80/79/573808079.db2.gz ZUIQSWGDVGKFCP-UHFFFAOYSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@H](CO)C(C)(C)C1 259196602 573810751 /nfs/dbraw/zinc/81/07/51/573810751.db2.gz IOWRDAIDSCOPAB-WDEREUQCSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC1=CC[N@H+](C(C)C)C1 258137523 573810821 /nfs/dbraw/zinc/81/08/21/573810821.db2.gz QDAKCJGMRAGZIH-UHFFFAOYSA-N 1 1 139.242 2.047 10 0 AEAEMO Nc1ccc(N2CCC2)c2cc[nH+]cc12 308789463 573810905 /nfs/dbraw/zinc/81/09/05/573810905.db2.gz GSYJFYHMFAHDFG-UHFFFAOYSA-N 1 1 199.257 2.027 10 0 AEAEMO CCC[C@@H](N)[C@H](CC)[N@@H+](C)C1CCC1 127358760 573814132 /nfs/dbraw/zinc/81/41/32/573814132.db2.gz MVFUDVRXASLOLS-NEPJUHHUSA-N 1 1 198.354 2.377 10 0 AEAEMO CC(C)[N@@H+](CCN)CC1CCCCC1 41056186 573823856 /nfs/dbraw/zinc/82/38/56/573823856.db2.gz SHNWNTPDZROVID-UHFFFAOYSA-N 1 1 198.354 2.236 10 0 AEAEMO CC[C@H]1CC[C@H]([N@@H+](C)CCOC)C1 308444770 573823543 /nfs/dbraw/zinc/82/35/43/573823543.db2.gz AVMXAYYOEPPGSJ-QWRGUYRKSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[N@@H+](C1CC1)[C@@](C)(CN)C(C)C 41053610 573823594 /nfs/dbraw/zinc/82/35/94/573823594.db2.gz DQWIFBRWOSXGEJ-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@H](C)[N@@H+](CC)C(C)(C)CO 308445206 573823714 /nfs/dbraw/zinc/82/37/14/573823714.db2.gz AYEDOUNUYXFKKS-JTQLQIEISA-N 1 1 187.327 2.268 10 0 AEAEMO CCC[N@H+](CC)C[C@]1(C)CCCCN1 127336758 573826604 /nfs/dbraw/zinc/82/66/04/573826604.db2.gz UWIRGOPXDZCMSO-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCC[N@@H+](CC)C[C@]1(C)CCCCN1 127336758 573826608 /nfs/dbraw/zinc/82/66/08/573826608.db2.gz UWIRGOPXDZCMSO-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCC[N@@H+](C1CC1)[C@](C)(CN)C(C)C 41053611 573826792 /nfs/dbraw/zinc/82/67/92/573826792.db2.gz DQWIFBRWOSXGEJ-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CCCCCC[N@@H+](CCC)CCN 41056657 573826800 /nfs/dbraw/zinc/82/68/00/573826800.db2.gz JBAGSHCIHNRQEV-UHFFFAOYSA-N 1 1 186.343 2.237 10 0 AEAEMO CCCCCCN(CCC)CC[NH3+] 41056657 573826806 /nfs/dbraw/zinc/82/68/06/573826806.db2.gz JBAGSHCIHNRQEV-UHFFFAOYSA-N 1 1 186.343 2.237 10 0 AEAEMO CCC(C)(C)N(C)c1ccc[nH+]c1N 122822876 573831981 /nfs/dbraw/zinc/83/19/81/573831981.db2.gz AILXYKZSJKEQRJ-UHFFFAOYSA-N 1 1 193.294 2.289 10 0 AEAEMO CC[C@H](C)[N@H+]1CCCCNC(C)(C)C1 259572895 573832063 /nfs/dbraw/zinc/83/20/63/573832063.db2.gz YSMZNLXUCRVPAF-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO Cc1ccsc1[C@H](N)C(C)(C)C[NH3+] 259207227 573832382 /nfs/dbraw/zinc/83/23/82/573832382.db2.gz GHSNJKARERENIJ-VIFPVBQESA-N 1 1 198.335 2.041 10 0 AEAEMO Cc1ccsc1[C@@H](N)C(C)(C)C[NH3+] 259207222 573832605 /nfs/dbraw/zinc/83/26/05/573832605.db2.gz GHSNJKARERENIJ-SECBINFHSA-N 1 1 198.335 2.041 10 0 AEAEMO CC[C@H](C)C[NH2+]C[C@@]1(C)CCCCN1 127391363 573837432 /nfs/dbraw/zinc/83/74/32/573837432.db2.gz NKFNOKZXZMIGIT-NWDGAFQWSA-N 1 1 198.354 2.154 10 0 AEAEMO N[C@@H](C[NH2+]C1CCC1)C1CCCCC1 258153654 573837880 /nfs/dbraw/zinc/83/78/80/573837880.db2.gz HHVJJFZNGSBSPI-LBPRGKRZSA-N 1 1 196.338 2.036 10 0 AEAEMO COCCC[N@@H+](C)CC=C1CCC1 308450571 573842208 /nfs/dbraw/zinc/84/22/08/573842208.db2.gz DIVOFUJHYZUMFO-UHFFFAOYSA-N 1 1 183.295 2.065 10 0 AEAEMO CC1(C)C[C@H](N)C[N@H+]1C1CCCCC1 259209379 573846591 /nfs/dbraw/zinc/84/65/91/573846591.db2.gz CJZZNCWOIFVJPG-JTQLQIEISA-N 1 1 196.338 2.131 10 0 AEAEMO CCCC[C@H](C)[N@@H+](C)CCN(C)C 308452961 573846627 /nfs/dbraw/zinc/84/66/27/573846627.db2.gz FBPSNJYPFOBBFV-NSHDSACASA-N 1 1 186.343 2.059 10 0 AEAEMO CC[N@H+]1CCC[C@H](CC2(O)CCC2)C1 258158884 573847899 /nfs/dbraw/zinc/84/78/99/573847899.db2.gz WQZYVNABIUNFOC-LLVKDONJSA-N 1 1 197.322 2.023 10 0 AEAEMO CC1(C)CC[N@H+]([C@H](CN)C(C)(C)C)C1 87232587 573847246 /nfs/dbraw/zinc/84/72/46/573847246.db2.gz MHBKTTJILYKPAG-SNVBAGLBSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)[N@H+]1CCC[C@@H](C2(O)CCC2)C1 257888405 573847450 /nfs/dbraw/zinc/84/74/50/573847450.db2.gz CFYDLCJBYTZNOO-LLVKDONJSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[C@H]1CNc2cc(C)c[nH+]c2N1 87261460 573859351 /nfs/dbraw/zinc/85/93/51/573859351.db2.gz QHVIVVYCMDPCTG-VIFPVBQESA-N 1 1 191.278 2.396 10 0 AEAEMO CC(C)C[N@H+]1CCC[C@@H](N)[C@@H]1C(C)C 84362873 573858642 /nfs/dbraw/zinc/85/86/42/573858642.db2.gz HZJFNTRYNPORNZ-NEPJUHHUSA-N 1 1 198.354 2.090 10 0 AEAEMO CC(C)[C@@H]1CNc2ccc[nH+]c2NC1 87262542 573858694 /nfs/dbraw/zinc/85/86/94/573858694.db2.gz CGFWXWSCBOXLHI-SECBINFHSA-N 1 1 191.278 2.191 10 0 AEAEMO CCCC[C@H]1CNc2ccc[nH+]c2N1 87260970 573858738 /nfs/dbraw/zinc/85/87/38/573858738.db2.gz SDAKEVIOZYIVHC-VIFPVBQESA-N 1 1 191.278 2.478 10 0 AEAEMO Cc1c[nH+]c2c(c1)NCC(C)(C)N2C 87261529 573858998 /nfs/dbraw/zinc/85/89/98/573858998.db2.gz GITQLBMORLUBQW-UHFFFAOYSA-N 1 1 191.278 2.030 10 0 AEAEMO CCN1CCCNc2cc(C)c[nH+]c21 87262045 573859037 /nfs/dbraw/zinc/85/90/37/573859037.db2.gz PPKCVHKLTUYRLZ-UHFFFAOYSA-N 1 1 191.278 2.032 10 0 AEAEMO Cc1c[nH+]c2c(c1)NCCN2C(C)C 87261266 573859188 /nfs/dbraw/zinc/85/91/88/573859188.db2.gz GUYUWTMNRZECGT-UHFFFAOYSA-N 1 1 191.278 2.030 10 0 AEAEMO c1c[nH+]c2c(c1)NC[C@H]1CCC[C@@H]1N2 87261589 573859236 /nfs/dbraw/zinc/85/92/36/573859236.db2.gz OMCNKDWJONQIEC-BDAKNGLRSA-N 1 1 189.262 2.088 10 0 AEAEMO CC[C@H](C)[C@@H]1CNc2ccc[nH+]c2N1 87261050 573861653 /nfs/dbraw/zinc/86/16/53/573861653.db2.gz SPDNQJLZYLCNDD-WPRPVWTQSA-N 1 1 191.278 2.334 10 0 AEAEMO CCCC[C@@H]1CNc2ccc[nH+]c2N1 87260968 573861835 /nfs/dbraw/zinc/86/18/35/573861835.db2.gz SDAKEVIOZYIVHC-SECBINFHSA-N 1 1 191.278 2.478 10 0 AEAEMO Cc1ccn2c[nH+]cc2c1Cl 238540394 573864933 /nfs/dbraw/zinc/86/49/33/573864933.db2.gz WAODGSGTXXGUQQ-UHFFFAOYSA-N 1 1 166.611 2.296 10 0 AEAEMO CCc1ccc(C[N@H+](C)COC)cc1 258976826 573865029 /nfs/dbraw/zinc/86/50/29/573865029.db2.gz BZMAHZUXIRBZDL-UHFFFAOYSA-N 1 1 193.290 2.285 10 0 AEAEMO CCc1ccc(C[N@@H+](C)COC)cc1 258976826 573865032 /nfs/dbraw/zinc/86/50/32/573865032.db2.gz BZMAHZUXIRBZDL-UHFFFAOYSA-N 1 1 193.290 2.285 10 0 AEAEMO CC(C)C[C@]1(C)NC(C)(C)C[C@@H](C)[NH2+]1 238171003 573865525 /nfs/dbraw/zinc/86/55/25/573865525.db2.gz JUUPOOUSUFLZCW-PWSUYJOCSA-N 1 1 198.354 2.499 10 0 AEAEMO CC[C@H](CO)C[N@@H+](C)CC1CCCC1 258974722 573865735 /nfs/dbraw/zinc/86/57/35/573865735.db2.gz LPXBIIKNVRVMRQ-NSHDSACASA-N 1 1 199.338 2.127 10 0 AEAEMO CN[C@H]1CCC[C@H]1[N@@H+]1CCCC[C@@H]1C 43809783 573866052 /nfs/dbraw/zinc/86/60/52/573866052.db2.gz UMVFNPMICPHYNO-SDDRHHMPSA-N 1 1 196.338 2.001 10 0 AEAEMO CN[C@H]1CCC[C@H]1[N@H+]1CCCC[C@@H]1C 43809783 573866058 /nfs/dbraw/zinc/86/60/58/573866058.db2.gz UMVFNPMICPHYNO-SDDRHHMPSA-N 1 1 196.338 2.001 10 0 AEAEMO COC[N@@H+](C)CCC1CCCC1 258976991 573866059 /nfs/dbraw/zinc/86/60/59/573866059.db2.gz CDNJOMJYECCKFD-UHFFFAOYSA-N 1 1 171.284 2.102 10 0 AEAEMO C[C@H](CN)[N@@H+](C)C1CCC(C)(C)CC1 87287327 573866206 /nfs/dbraw/zinc/86/62/06/573866206.db2.gz ZCUQRFZKRUOSMK-SNVBAGLBSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[C@@H]([NH2+]C)[C@H](CC)N1CCCC1 43807149 573866212 /nfs/dbraw/zinc/86/62/12/573866212.db2.gz FQODTKGICHRHQM-NEPJUHHUSA-N 1 1 198.354 2.249 10 0 AEAEMO Clc1ccc([C@@H]2[NH2+]CCO2)s1 258164682 573866719 /nfs/dbraw/zinc/86/67/19/573866719.db2.gz QZTOMXOMIPAZTN-SSDOTTSWSA-N 1 1 189.667 2.020 10 0 AEAEMO CCCCC[N@@H+](C)CC1(CO)CCC1 258974820 573866720 /nfs/dbraw/zinc/86/67/20/573866720.db2.gz LRJBBBJMOUGIMJ-UHFFFAOYSA-N 1 1 199.338 2.271 10 0 AEAEMO C[C@@H](CN)[N@@H+](C)C1CCC(C)(C)CC1 87287326 573867069 /nfs/dbraw/zinc/86/70/69/573867069.db2.gz ZCUQRFZKRUOSMK-JTQLQIEISA-N 1 1 198.354 2.234 10 0 AEAEMO CCC[N@H+](C[C@@H](C)NCC)C(C)C 43885140 573875767 /nfs/dbraw/zinc/87/57/67/573875767.db2.gz JSDRMSNAYLBSDA-LLVKDONJSA-N 1 1 186.343 2.105 10 0 AEAEMO CCC[N@@H+](C[C@@H](C)NCC)C(C)C 43885140 573875772 /nfs/dbraw/zinc/87/57/72/573875772.db2.gz JSDRMSNAYLBSDA-LLVKDONJSA-N 1 1 186.343 2.105 10 0 AEAEMO CCC[N@@H+](CC[C@@H](C)[NH2+]C)C(C)C 43885052 573875865 /nfs/dbraw/zinc/87/58/65/573875865.db2.gz IVFRILKPTBIBLL-LLVKDONJSA-N 1 1 186.343 2.105 10 0 AEAEMO CC[N@H+]1CCC[C@@H](CCC2(O)CC2)C1 258168928 573876318 /nfs/dbraw/zinc/87/63/18/573876318.db2.gz XJUORKQDTOHOAC-NSHDSACASA-N 1 1 197.322 2.023 10 0 AEAEMO O=C1CCC[N@H+](C[C@H]2CC=CCC2)C1 402119133 573878139 /nfs/dbraw/zinc/87/81/39/573878139.db2.gz DDWWWVWKNXMEPT-NSHDSACASA-N 1 1 193.290 2.008 10 0 AEAEMO O=C1CCC[N@@H+](C[C@H]2CC=CCC2)C1 402119133 573878144 /nfs/dbraw/zinc/87/81/44/573878144.db2.gz DDWWWVWKNXMEPT-NSHDSACASA-N 1 1 193.290 2.008 10 0 AEAEMO C[NH2+][C@@H](C)CC[N@@H+](CC(C)C)C1CC1 43972236 573878727 /nfs/dbraw/zinc/87/87/27/573878727.db2.gz QVIRENODAACUKP-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC[C@@H](O)[C@H](C)[N@@H+](CC(C)C)C1CC1 44170395 573884069 /nfs/dbraw/zinc/88/40/69/573884069.db2.gz DFEAXXNUIYNDQS-CMPLNLGQSA-N 1 1 199.338 2.266 10 0 AEAEMO C[NH2+]Cc1ncc(C2(C)CCCC2)o1 87330449 573884086 /nfs/dbraw/zinc/88/40/86/573884086.db2.gz AIPCPXMMFKMXCO-UHFFFAOYSA-N 1 1 194.278 2.226 10 0 AEAEMO C[N@H+]1CC[C@@H](CC2(O)CCCCC2)C1 257893178 573884351 /nfs/dbraw/zinc/88/43/51/573884351.db2.gz CSCKNOROOLICSW-NSHDSACASA-N 1 1 197.322 2.023 10 0 AEAEMO CC[C@@H](O)[C@H](C)[N@@H+](C)[C@@H](C)C(C)C 44159689 573884357 /nfs/dbraw/zinc/88/43/57/573884357.db2.gz ANCTVKITWWVRMV-GARJFASQSA-N 1 1 187.327 2.122 10 0 AEAEMO C[C@H]1CCC[N@H+]1[C@@H]1CCCCC[C@@H]1O 44112972 573884467 /nfs/dbraw/zinc/88/44/67/573884467.db2.gz NJAVWRPUZYTXIH-TUAOUCFPSA-N 1 1 197.322 2.164 10 0 AEAEMO CC[C@H](O)[C@@H](C)[N@@H+](CC)CC(C)C 44126927 573884533 /nfs/dbraw/zinc/88/45/33/573884533.db2.gz GSFBVVPCVNWCKC-MNOVXSKESA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@H](O)[C@@H](C)[N@@H+](C)C1CCCCC1 44120763 573886153 /nfs/dbraw/zinc/88/61/53/573886153.db2.gz ZONXMNUSUGBFTN-PWSUYJOCSA-N 1 1 199.338 2.410 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@@H+](CC)CC(C)C 44126935 573886226 /nfs/dbraw/zinc/88/62/26/573886226.db2.gz GSFBVVPCVNWCKC-QWRGUYRKSA-N 1 1 187.327 2.124 10 0 AEAEMO C[C@H]1CCCC[C@H]1[N@H+](C)CC[C@@H](C)O 44174144 573886276 /nfs/dbraw/zinc/88/62/76/573886276.db2.gz HSVPJIBKGQEDGN-QJPTWQEYSA-N 1 1 199.338 2.268 10 0 AEAEMO CC[C@H](O)[C@H](C)[N@@H+](CC)C1CCCC1 44131901 573886384 /nfs/dbraw/zinc/88/63/84/573886384.db2.gz AJONUJCHVUSTAJ-JQWIXIFHSA-N 1 1 199.338 2.410 10 0 AEAEMO C[C@H](O)[C@@H](C)[N@@H+](C)[C@@H](C)C(C)(C)C 44164924 573886464 /nfs/dbraw/zinc/88/64/64/573886464.db2.gz NKJWQLWGKRPPAI-UTLUCORTSA-N 1 1 187.327 2.122 10 0 AEAEMO CCC[C@H](O)[C@H](CC)[N@@H+](C)CC1CC1 44161699 573886482 /nfs/dbraw/zinc/88/64/82/573886482.db2.gz NZBGVLQZEUIWQM-RYUDHWBXSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H]1CC[N@H+]([C@@H]2CCCCC[C@@H]2O)C1 44162435 573886518 /nfs/dbraw/zinc/88/65/18/573886518.db2.gz LZCIQCHMKBVPGO-TUAOUCFPSA-N 1 1 197.322 2.022 10 0 AEAEMO CCCC[N@@H+](C)[C@@H]1CCCCC[C@@H]1O 44122687 573886529 /nfs/dbraw/zinc/88/65/29/573886529.db2.gz RPXWHEMQNFFXQG-NEPJUHHUSA-N 1 1 199.338 2.412 10 0 AEAEMO C[C@@H]1C[N@@H+](CCC2(O)CC2)C(C)(C)C1 336170503 573886594 /nfs/dbraw/zinc/88/65/94/573886594.db2.gz ITNKFPGQBDTWKJ-JTQLQIEISA-N 1 1 197.322 2.022 10 0 AEAEMO [NH3+]C1(c2cc(F)c(O)c(F)c2)CCC1 238561537 573890140 /nfs/dbraw/zinc/89/01/40/573890140.db2.gz SMJNWMSDGBKDIY-UHFFFAOYSA-N 1 1 199.200 2.008 10 0 AEAEMO CC1(C)CC[C@@H](N)C[N@H+]1C1CCCC1 259222585 573890351 /nfs/dbraw/zinc/89/03/51/573890351.db2.gz DASJRJATVMLPPD-SNVBAGLBSA-N 1 1 196.338 2.131 10 0 AEAEMO CC[C@H](C)C[C@H](CN)[N@H+]1CC[C@@H](C)C1 394441414 573890412 /nfs/dbraw/zinc/89/04/12/573890412.db2.gz XRLPZMWCDXKXRZ-QJPTWQEYSA-N 1 1 198.354 2.092 10 0 AEAEMO C[N@H+]1CCC[C@@H]1CC1(O)CCCCC1 258174093 573890423 /nfs/dbraw/zinc/89/04/23/573890423.db2.gz XRVXCCYETZXLKY-LLVKDONJSA-N 1 1 197.322 2.166 10 0 AEAEMO CCCCC[N@H+]1CC(C)(C)NC[C@@H]1C 41209531 573890483 /nfs/dbraw/zinc/89/04/83/573890483.db2.gz MURZJRIBOZBHSX-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CCCCCN1CC(C)(C)[NH2+]C[C@@H]1C 41209531 573890487 /nfs/dbraw/zinc/89/04/87/573890487.db2.gz MURZJRIBOZBHSX-NSHDSACASA-N 1 1 198.354 2.249 10 0 AEAEMO CC(C)C[C@@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)O 44176745 573891517 /nfs/dbraw/zinc/89/15/17/573891517.db2.gz DKRVFLIEBHYGCJ-OUAUKWLOSA-N 1 1 187.327 2.122 10 0 AEAEMO Cc1[nH+]c(CC[C@@H](C)[NH3+])[nH]c1C(C)C 258519387 573891161 /nfs/dbraw/zinc/89/11/61/573891161.db2.gz GYMUUFYGFMBRHH-MRVPVSSYSA-N 1 1 195.310 2.121 10 0 AEAEMO Cc1[nH]c(CC[C@@H](C)[NH3+])nc1C(C)C 258519387 573891165 /nfs/dbraw/zinc/89/11/65/573891165.db2.gz GYMUUFYGFMBRHH-MRVPVSSYSA-N 1 1 195.310 2.121 10 0 AEAEMO Cc1nc(CC[C@@H](C)[NH3+])[nH]c1C(C)C 258519387 573891169 /nfs/dbraw/zinc/89/11/69/573891169.db2.gz GYMUUFYGFMBRHH-MRVPVSSYSA-N 1 1 195.310 2.121 10 0 AEAEMO CC1(C)CC[C@H](N)C[N@H+]1C1CCCC1 259222581 573891211 /nfs/dbraw/zinc/89/12/11/573891211.db2.gz DASJRJATVMLPPD-JTQLQIEISA-N 1 1 196.338 2.131 10 0 AEAEMO CC(C)C[N@@H+](C(C)C)[C@@H](C)[C@@H](C)O 44177369 573891294 /nfs/dbraw/zinc/89/12/94/573891294.db2.gz YGAFMMQXPDMNTO-WDEREUQCSA-N 1 1 187.327 2.122 10 0 AEAEMO C[C@@H](O)[C@@H](C)[N@@H+](C)CC1CCCCC1 44179006 573891358 /nfs/dbraw/zinc/89/13/58/573891358.db2.gz OBKZRWGFHLMEHZ-GHMZBOCLSA-N 1 1 199.338 2.268 10 0 AEAEMO CCCc1ccc(C(NC)[NH2+]C)cc1 259227909 573898803 /nfs/dbraw/zinc/89/88/03/573898803.db2.gz GINFAIFDJDRARU-UHFFFAOYSA-N 1 1 192.306 2.077 10 0 AEAEMO CCCCCN[C@@H](C)C[NH2+]CCC 127447386 573902960 /nfs/dbraw/zinc/90/29/60/573902960.db2.gz TYBYGYGHVPMGQV-NSHDSACASA-N 1 1 186.343 2.154 10 0 AEAEMO CCCCC[NH2+][C@@H](C)CNCCC 127447386 573902964 /nfs/dbraw/zinc/90/29/64/573902964.db2.gz TYBYGYGHVPMGQV-NSHDSACASA-N 1 1 186.343 2.154 10 0 AEAEMO CCCCCN[C@H](C)C[NH2+]CCC 127447606 573903066 /nfs/dbraw/zinc/90/30/66/573903066.db2.gz TYBYGYGHVPMGQV-LLVKDONJSA-N 1 1 186.343 2.154 10 0 AEAEMO CCCCC[NH2+][C@H](C)CNCCC 127447606 573903072 /nfs/dbraw/zinc/90/30/72/573903072.db2.gz TYBYGYGHVPMGQV-LLVKDONJSA-N 1 1 186.343 2.154 10 0 AEAEMO Cc1ccccc1C(F)(F)[C@@H]1CC[NH2+]1 257896034 573903203 /nfs/dbraw/zinc/90/32/03/573903203.db2.gz XXPNAKIVRPKSOD-JTQLQIEISA-N 1 1 197.228 2.449 10 0 AEAEMO CCC[NH2+]C[C@H](C)NCC(C)(C)C 127448091 573903362 /nfs/dbraw/zinc/90/33/62/573903362.db2.gz PLHXMUJHZPMEJE-JTQLQIEISA-N 1 1 186.343 2.010 10 0 AEAEMO CCCNC[C@H](C)[NH2+]CC(C)(C)C 127448091 573903369 /nfs/dbraw/zinc/90/33/69/573903369.db2.gz PLHXMUJHZPMEJE-JTQLQIEISA-N 1 1 186.343 2.010 10 0 AEAEMO CCCCC[N@@H+]1CC[C@H](N)C(C)(C)C1 259226233 573903378 /nfs/dbraw/zinc/90/33/78/573903378.db2.gz KRZDUANWYCAOBZ-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CCCCC[N@H+]1CC[C@H](N)C(C)(C)C1 259226233 573903382 /nfs/dbraw/zinc/90/33/82/573903382.db2.gz KRZDUANWYCAOBZ-NSHDSACASA-N 1 1 198.354 2.236 10 0 AEAEMO CCCN[C@H](C)C[NH2+][C@H](C)C(C)C 716360177 573903383 /nfs/dbraw/zinc/90/33/83/573903383.db2.gz QOWVBSSKXAWHSC-GHMZBOCLSA-N 1 1 186.343 2.009 10 0 AEAEMO N[C@H]1CCCC[C@H]1[NH2+]CC1CCCC1 259228618 573906934 /nfs/dbraw/zinc/90/69/34/573906934.db2.gz XVFYDTQVJMMEFE-NWDGAFQWSA-N 1 1 196.338 2.036 10 0 AEAEMO CC(C)[C@@H]1Nc2ccccc2C[NH2+]1 222788098 573907181 /nfs/dbraw/zinc/90/71/81/573907181.db2.gz FWWMWTVVELFQAL-NSHDSACASA-N 1 1 176.263 2.184 10 0 AEAEMO CCN[C@@H](C)C[N@H+](CC1CC1)C(C)C 44472504 573907254 /nfs/dbraw/zinc/90/72/54/573907254.db2.gz PQCUNYPZVZJUKH-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CCN[C@@H](C)C[N@@H+](CC1CC1)C(C)C 44472504 573907255 /nfs/dbraw/zinc/90/72/55/573907255.db2.gz PQCUNYPZVZJUKH-NSHDSACASA-N 1 1 198.354 2.105 10 0 AEAEMO CC(C)C[C@H](C)[N@H+]1CCCC[C@@H]1CN 44539545 573913996 /nfs/dbraw/zinc/91/39/96/573913996.db2.gz FMQYFEJKTPZIQS-NWDGAFQWSA-N 1 1 198.354 2.234 10 0 AEAEMO C[NH2+][C@H](c1ccc(Cl)cc1)N(C)C 259239815 573914082 /nfs/dbraw/zinc/91/40/82/573914082.db2.gz BCRDLAIERJLPEE-JTQLQIEISA-N 1 1 198.697 2.120 10 0 AEAEMO C/C=C\C[N@H+]1CCSCC1(C)C 388454734 573914245 /nfs/dbraw/zinc/91/42/45/573914245.db2.gz ZKUXBSCHBGRRFG-PLNGDYQASA-N 1 1 185.336 2.390 10 0 AEAEMO CC(C)C[C@@H](C)[N@H+]1CCCC[C@@H]1CN 44539543 573914454 /nfs/dbraw/zinc/91/44/54/573914454.db2.gz FMQYFEJKTPZIQS-VXGBXAGGSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)[C@@H](C)[N@H+]1CCCC[C@@H]1CN 44539451 573914619 /nfs/dbraw/zinc/91/46/19/573914619.db2.gz PLRGWMLPRHVYMR-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@@H](C(C)C)[N@H+]1CCCC[C@@H]1CN 44539469 573914638 /nfs/dbraw/zinc/91/46/38/573914638.db2.gz MYNQOZIBCQBBIG-NEPJUHHUSA-N 1 1 198.354 2.234 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@H+]1CCCC[C@@H]1CN 44539455 573914825 /nfs/dbraw/zinc/91/48/25/573914825.db2.gz PLRGWMLPRHVYMR-SDDRHHMPSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC1CCC([N@H+]2CC[C@H](O)C2)CC1 84837112 573915082 /nfs/dbraw/zinc/91/50/82/573915082.db2.gz TVWBSOPKDDPTCB-MCIGGMRASA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[NH2+]C[C@](C)(CC)N1CCCC1 308464737 573926625 /nfs/dbraw/zinc/92/66/25/573926625.db2.gz FUVWHMJAKGEOJT-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CC(C)[C@H](C)C[N@H+]1CCC(=O)C[C@H]1C 81065300 573926629 /nfs/dbraw/zinc/92/66/29/573926629.db2.gz QFIVJIIUVXNJFN-GHMZBOCLSA-N 1 1 197.322 2.332 10 0 AEAEMO [NH3+]Cc1nc(C2CCCCC2)co1 257901430 573927040 /nfs/dbraw/zinc/92/70/40/573927040.db2.gz OYCUANNKWZHYCU-UHFFFAOYSA-N 1 1 180.251 2.181 10 0 AEAEMO C[N@@H+](Cc1ccc(C=O)o1)C1CCC1 127632604 573934566 /nfs/dbraw/zinc/93/45/66/573934566.db2.gz MJWKYZDIKBGILH-UHFFFAOYSA-N 1 1 193.246 2.076 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C[C@@H](C)O)C1CC1 308465648 573934569 /nfs/dbraw/zinc/93/45/69/573934569.db2.gz IYQVODBRTQPKOZ-NXEZZACHSA-N 1 1 185.311 2.020 10 0 AEAEMO CCC[C@H](C)[N@@H+](C[C@@H](C)O)C1CC1 308465656 573933856 /nfs/dbraw/zinc/93/38/56/573933856.db2.gz IYQVODBRTQPKOZ-VHSXEESVSA-N 1 1 185.311 2.020 10 0 AEAEMO CCCCC[C@]1(O)C[C@H](C)[N@@H+](C)C1 127620543 573933893 /nfs/dbraw/zinc/93/38/93/573933893.db2.gz HVGARADZRTYZSL-QWRGUYRKSA-N 1 1 185.311 2.022 10 0 AEAEMO C[C@H](O)CCCC[N@@H+](C)C1CCC1 127722949 573934059 /nfs/dbraw/zinc/93/40/59/573934059.db2.gz PERSDDFDIWNXHO-JTQLQIEISA-N 1 1 185.311 2.022 10 0 AEAEMO CC[N@H+]1CCC[C@H]1c1nccs1 224754156 573934104 /nfs/dbraw/zinc/93/41/04/573934104.db2.gz SLLICZVWYZRPNT-QMMMGPOBSA-N 1 1 182.292 2.300 10 0 AEAEMO c1ccn(Nc2ccc3c([nH+]2)CCC3)c1 127606748 573934115 /nfs/dbraw/zinc/93/41/15/573934115.db2.gz VCOKQYZGEHDXSC-UHFFFAOYSA-N 1 1 199.257 2.247 10 0 AEAEMO CCC[C@H](O)[C@H](CC)[N@@H+](C)C1CCC1 127719359 573934195 /nfs/dbraw/zinc/93/41/95/573934195.db2.gz VMPHEMORANOXEJ-RYUDHWBXSA-N 1 1 199.338 2.410 10 0 AEAEMO C[C@H](c1cccc(N)c1)[N@@H+](C)CCF 147579222 573934469 /nfs/dbraw/zinc/93/44/69/573934469.db2.gz BBVRVPGLSNAYAO-SECBINFHSA-N 1 1 196.269 2.231 10 0 AEAEMO CCC[C@@H](O)[C@H](CC)[N@@H+](C)C1CCC1 127719578 573934479 /nfs/dbraw/zinc/93/44/79/573934479.db2.gz VMPHEMORANOXEJ-NWDGAFQWSA-N 1 1 199.338 2.410 10 0 AEAEMO CCCCC[C@@]1(O)C[C@H](C)[N@@H+](C)C1 127620720 573934508 /nfs/dbraw/zinc/93/45/08/573934508.db2.gz HVGARADZRTYZSL-WDEREUQCSA-N 1 1 185.311 2.022 10 0 AEAEMO C[N@@H+](CC[C@@H]1CCC[C@@H]1O)C1CCC1 127727172 573934538 /nfs/dbraw/zinc/93/45/38/573934538.db2.gz YUMDBTJHAOVQMS-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO CNC1(C[N@H+](C)C2CCCC2)CCC1 308468447 573938060 /nfs/dbraw/zinc/93/80/60/573938060.db2.gz HBRXEIVRZSONTK-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO CNC1(C[N@@H+](C)C2CCCC2)CCC1 308468447 573938061 /nfs/dbraw/zinc/93/80/61/573938061.db2.gz HBRXEIVRZSONTK-UHFFFAOYSA-N 1 1 196.338 2.003 10 0 AEAEMO CC[C@@H]([NH3+])CC[N@H+]1[C@@H](C)CCC[C@H]1C 127770958 573937391 /nfs/dbraw/zinc/93/73/91/573937391.db2.gz NGPCBGWVFUXGML-GRYCIOLGSA-N 1 1 198.354 2.377 10 0 AEAEMO CC[N@H+]1CCC[C@@H]1CC1(O)CCCC1 257907006 573937587 /nfs/dbraw/zinc/93/75/87/573937587.db2.gz FAGWGAYLQDKMHL-LLVKDONJSA-N 1 1 197.322 2.166 10 0 AEAEMO CC[C@H](C)[N@@H+]1CCC(C)(C)C(=O)C1 259245770 573937788 /nfs/dbraw/zinc/93/77/88/573937788.db2.gz MALOMCWCVIXZHG-VIFPVBQESA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC(C)(C)C(=O)C1 259245770 573937795 /nfs/dbraw/zinc/93/77/95/573937795.db2.gz MALOMCWCVIXZHG-VIFPVBQESA-N 1 1 183.295 2.086 10 0 AEAEMO CC[N@H+]1CCC[C@H]1CC1(O)CCCC1 257907009 573940587 /nfs/dbraw/zinc/94/05/87/573940587.db2.gz FAGWGAYLQDKMHL-NSHDSACASA-N 1 1 197.322 2.166 10 0 AEAEMO CC[C@@H](C)C[NH2+]CC1(NC)CCCC1 308467708 573940685 /nfs/dbraw/zinc/94/06/85/573940685.db2.gz ACODNVQRMBTMNI-LLVKDONJSA-N 1 1 198.354 2.154 10 0 AEAEMO CC[C@@H]1CC[C@H](C)[N@@H+]([C@H](CC)CN)C1 308468888 573941243 /nfs/dbraw/zinc/94/12/43/573941243.db2.gz IOAYVKVDFPSARG-QJPTWQEYSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)c1cc2cc(N)[nH+]cc2[nH]1 238200542 573941291 /nfs/dbraw/zinc/94/12/91/573941291.db2.gz RFMRCAFTGWPBRN-UHFFFAOYSA-N 1 1 175.235 2.269 10 0 AEAEMO CC[C@@H](N)[C@H](C)[N@@H+](C)CC(C)(C)C 45072554 573941624 /nfs/dbraw/zinc/94/16/24/573941624.db2.gz WTOPYBHJOFQYNK-VHSXEESVSA-N 1 1 186.343 2.090 10 0 AEAEMO C[NH2+]Cc1nc(CC(C)(C)C)c(C)[nH]1 308467350 573941713 /nfs/dbraw/zinc/94/17/13/573941713.db2.gz IGYCNTXNJNOBHR-UHFFFAOYSA-N 1 1 195.310 2.026 10 0 AEAEMO CCC1CCN([C@@H](C)[C@@H]([NH3+])CC)CC1 42446681 573952047 /nfs/dbraw/zinc/95/20/47/573952047.db2.gz MLZWJXHLXNYIJQ-JQWIXIFHSA-N 1 1 198.354 2.234 10 0 AEAEMO CCC1CCN([C@@H](C[NH3+])C(C)C)CC1 42446514 573952204 /nfs/dbraw/zinc/95/22/04/573952204.db2.gz CQMVUIIAJLQLQG-LBPRGKRZSA-N 1 1 198.354 2.092 10 0 AEAEMO CC1([NH2+]C[C@H](N)CC2CC2)CCCC1 308471462 573952290 /nfs/dbraw/zinc/95/22/90/573952290.db2.gz JNAZBRSLFSAHAT-LLVKDONJSA-N 1 1 196.338 2.036 10 0 AEAEMO CC1([NH2+]C[C@@H](N)CC2CC2)CCCC1 308471464 573952354 /nfs/dbraw/zinc/95/23/54/573952354.db2.gz JNAZBRSLFSAHAT-NSHDSACASA-N 1 1 196.338 2.036 10 0 AEAEMO C[C@H]([NH3+])C[C@H](c1ccccc1)N(C)C 259249318 573952396 /nfs/dbraw/zinc/95/23/96/573952396.db2.gz BJWADCZQARSKBM-CMPLNLGQSA-N 1 1 192.306 2.027 10 0 AEAEMO CCC1CCN(C[C@@H]([NH3+])C(C)C)CC1 42447416 573955384 /nfs/dbraw/zinc/95/53/84/573955384.db2.gz JTOAJXIFZCPLGU-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC1CC[NH+](C[C@@H](N)C(C)C)CC1 42447416 573955390 /nfs/dbraw/zinc/95/53/90/573955390.db2.gz JTOAJXIFZCPLGU-GFCCVEGCSA-N 1 1 198.354 2.092 10 0 AEAEMO CCC1CCN([C@H](C)[C@H]([NH3+])CC)CC1 42446679 573955446 /nfs/dbraw/zinc/95/54/46/573955446.db2.gz MLZWJXHLXNYIJQ-ZYHUDNBSSA-N 1 1 198.354 2.234 10 0 AEAEMO C[N@H+]1CCC[C@H](CC2(O)CCCC2)C1 258189820 573955959 /nfs/dbraw/zinc/95/59/59/573955959.db2.gz YOFZSCYGNRUECB-LLVKDONJSA-N 1 1 197.322 2.023 10 0 AEAEMO C[N@H+]1CCC=C(CC(F)(F)F)C1 257912051 573956058 /nfs/dbraw/zinc/95/60/58/573956058.db2.gz BJAIZKNBLNFYEU-UHFFFAOYSA-N 1 1 179.185 2.201 10 0 AEAEMO CC[NH2+]C[C@H](CC)N1CC[C@H](CC)C1 127789036 573963488 /nfs/dbraw/zinc/96/34/88/573963488.db2.gz VTKVSGCHPBPJKR-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO [NH3+][C@@H](c1ccsc1)c1cscn1 87594368 573966172 /nfs/dbraw/zinc/96/61/72/573966172.db2.gz LKZAKLVBWSMHNL-QMMMGPOBSA-N 1 1 196.300 2.253 10 0 AEAEMO CCC[C@@H]1CCN([C@@H](CC)C[NH2+]C)C1 127790726 573965646 /nfs/dbraw/zinc/96/56/46/573965646.db2.gz SPKQMGQLYZNXCX-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)CN(C(C)C)[C@@H]1CCC[NH2+]C1 42584382 573977168 /nfs/dbraw/zinc/97/71/68/573977168.db2.gz OCOPDFFSBQBNHL-GFCCVEGCSA-N 1 1 198.354 2.105 10 0 AEAEMO CCC1=CCC[N@H+](C(C)C)C1 258193759 573976821 /nfs/dbraw/zinc/97/68/21/573976821.db2.gz UCMMKEGTQOMALE-UHFFFAOYSA-N 1 1 153.269 2.437 10 0 AEAEMO CC[C@@](C)(CN)[N@@H+](CC1CC1)C(C)C 42579864 573984314 /nfs/dbraw/zinc/98/43/14/573984314.db2.gz UHVCQZZYQPIJAI-LBPRGKRZSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)C(C)(C)CN 42563350 573984851 /nfs/dbraw/zinc/98/48/51/573984851.db2.gz OTERPRXSPSAVME-JTQLQIEISA-N 1 1 186.343 2.090 10 0 AEAEMO CC(C)C[C@@H](C)[N@@H+](C)[C@@H](CN)C1CC1 42563470 573984862 /nfs/dbraw/zinc/98/48/62/573984862.db2.gz YXULVWBLTJUPBT-PWSUYJOCSA-N 1 1 198.354 2.090 10 0 AEAEMO CC[C@](C)(CN)[N@@H+](CC1CC1)C(C)C 42579867 573984873 /nfs/dbraw/zinc/98/48/73/573984873.db2.gz UHVCQZZYQPIJAI-GFCCVEGCSA-N 1 1 198.354 2.234 10 0 AEAEMO CC(C)C[C@@H](C)N(C)[C@@H]1CCC[C@@H]1[NH3+] 42581015 573984018 /nfs/dbraw/zinc/98/40/18/573984018.db2.gz YNQNOLKNPANGRI-GRYCIOLGSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@@H](CN)[N@@H+](C)[C@@H](C)CC(C)C 42563536 573985710 /nfs/dbraw/zinc/98/57/10/573985710.db2.gz HAABBTLZPRMMTG-QWRGUYRKSA-N 1 1 186.343 2.090 10 0 AEAEMO C[N@@H+]1CC[C@@]2(C)c3ccccc3N[C@@H]12 82076530 573985192 /nfs/dbraw/zinc/98/51/92/573985192.db2.gz ZMRXCEQBVUQGLX-RYUDHWBXSA-N 1 1 188.274 2.031 10 0 AEAEMO C[N@H+]1CC[C@@]2(C)c3ccccc3N[C@@H]12 82076530 573985197 /nfs/dbraw/zinc/98/51/97/573985197.db2.gz ZMRXCEQBVUQGLX-RYUDHWBXSA-N 1 1 188.274 2.031 10 0 AEAEMO CC(C)C[N@@H+](C(C)C)[C@@H](C)[C@@H](C)N 42581452 573985238 /nfs/dbraw/zinc/98/52/38/573985238.db2.gz KCFVUQJZTDNREF-MNOVXSKESA-N 1 1 186.343 2.089 10 0 AEAEMO CC(C)C[C@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)N 42580794 573985462 /nfs/dbraw/zinc/98/54/62/573985462.db2.gz LYYFGZSRINOAGO-AXFHLTTASA-N 1 1 186.343 2.089 10 0 AEAEMO CC(C)C[C@H](C)N(C)[C@@H](C)[C@@H](C)[NH3+] 42580794 573985467 /nfs/dbraw/zinc/98/54/67/573985467.db2.gz LYYFGZSRINOAGO-AXFHLTTASA-N 1 1 186.343 2.089 10 0 AEAEMO CC(C)C[N@@H+](C(C)C)[C@H]1CCC[C@@H]1N 42581675 573985616 /nfs/dbraw/zinc/98/56/16/573985616.db2.gz AMUYSUJROPFIDH-RYUDHWBXSA-N 1 1 198.354 2.233 10 0 AEAEMO CC[C@H](C)C[C@@]1(O)CC[N@H+]2CCC[C@@H]21 123329956 573991146 /nfs/dbraw/zinc/99/11/46/573991146.db2.gz OOAQASJHPOUKNU-TUAOUCFPSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[C@H]1N[C@@H](C)CC(C)(C)[N@@H+]1C 238233480 573991267 /nfs/dbraw/zinc/99/12/67/573991267.db2.gz IQDALTRLOGNDNZ-UWVGGRQHSA-N 1 1 184.327 2.205 10 0 AEAEMO CCC[C@H]1N[C@@H](C)CC(C)(C)[N@H+]1C 238233480 573991272 /nfs/dbraw/zinc/99/12/72/573991272.db2.gz IQDALTRLOGNDNZ-UWVGGRQHSA-N 1 1 184.327 2.205 10 0 AEAEMO CCC[N@@H+](CC)CCCC[C@H](C)O 45619612 573991412 /nfs/dbraw/zinc/99/14/12/573991412.db2.gz WOIUGLAJUIWBNK-NSHDSACASA-N 1 1 187.327 2.269 10 0 AEAEMO CCC[N@@H+](CCCC[C@@H](C)O)C1CC1 45619620 573991550 /nfs/dbraw/zinc/99/15/50/573991550.db2.gz XZPPATIVKKQNKH-LLVKDONJSA-N 1 1 199.338 2.412 10 0 AEAEMO CC[C@H](C)C[C@]1(O)CC[N@H+]2CCC[C@@H]21 123329452 573991578 /nfs/dbraw/zinc/99/15/78/573991578.db2.gz OOAQASJHPOUKNU-QJPTWQEYSA-N 1 1 197.322 2.022 10 0 AEAEMO CCC[N@@H+](CCCC[C@H](C)O)C1CC1 45619623 573995956 /nfs/dbraw/zinc/99/59/56/573995956.db2.gz XZPPATIVKKQNKH-NSHDSACASA-N 1 1 199.338 2.412 10 0 AEAEMO CCC[N@@H+](CC)CCCC[C@@H](C)O 45619609 573995461 /nfs/dbraw/zinc/99/54/61/573995461.db2.gz WOIUGLAJUIWBNK-LLVKDONJSA-N 1 1 187.327 2.269 10 0 AEAEMO CC(C)C[N@@H+](C)CCCC[C@@H](C)O 45619586 573995575 /nfs/dbraw/zinc/99/55/75/573995575.db2.gz XOFOEQGNLSRAMF-LLVKDONJSA-N 1 1 187.327 2.125 10 0 AEAEMO C[C@H](O)CCCC[N@@H+](C)[C@@H](C)C1CC1 45619730 573995763 /nfs/dbraw/zinc/99/57/63/573995763.db2.gz CPMBXHUAXUNUFX-QWRGUYRKSA-N 1 1 199.338 2.268 10 0 AEAEMO CN[C@H]1CC[N@H+](C2CCCC2)C1(C)C 259300107 574001398 /nfs/dbraw/zinc/00/13/98/574001398.db2.gz HLEUGAXHRXEUEN-NSHDSACASA-N 1 1 196.338 2.001 10 0 AEAEMO CC(=O)[C@H]([NH3+])c1cccc(C(F)F)c1 104489110 574005412 /nfs/dbraw/zinc/00/54/12/574005412.db2.gz CVGAKDCJMUNFNU-VIFPVBQESA-N 1 1 199.200 2.213 10 0 AEAEMO C=Cc1cc[nH+]c(N(C)CC)c1 209774427 574005518 /nfs/dbraw/zinc/00/55/18/574005518.db2.gz FULMVMVPELKDAJ-UHFFFAOYSA-N 1 1 162.236 2.181 10 0 AEAEMO CC[N@@H+](C)[C@H](C)c1ccc(N)c(F)c1 238239504 574005549 /nfs/dbraw/zinc/00/55/49/574005549.db2.gz UIOAGIDKXPHXOB-MRVPVSSYSA-N 1 1 196.269 2.421 10 0 AEAEMO CC[C@H]1CCCCC[N@H+]1[C@@H](C)CC[NH3+] 128035427 574005831 /nfs/dbraw/zinc/00/58/31/574005831.db2.gz FBYUXGFOZUYOQA-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO COC1C[C@@H]2CC[C@H](C1)[N@H+]2C1CCC1 585379835 574005859 /nfs/dbraw/zinc/00/58/59/574005859.db2.gz PCVKCCIVDWAOSW-FOSCPWQOSA-N 1 1 195.306 2.181 10 0 AEAEMO CC[C@H]([NH3+])c1cc(O)c(F)c(F)c1 104489699 574008055 /nfs/dbraw/zinc/00/80/55/574008055.db2.gz VPWAONYACCTSQO-ZETCQYMHSA-N 1 1 187.189 2.080 10 0 AEAEMO CC[C@@H]([NH3+])c1cc(O)c(F)c(F)c1 104489704 574007674 /nfs/dbraw/zinc/00/76/74/574007674.db2.gz VPWAONYACCTSQO-SSDOTTSWSA-N 1 1 187.189 2.080 10 0 AEAEMO CC(C)C[N@@H+](C(C)C)[C@H]1CCCC1=O 42587756 574007691 /nfs/dbraw/zinc/00/76/91/574007691.db2.gz HZWROSNKQNDHFE-NSHDSACASA-N 1 1 197.322 2.474 10 0 AEAEMO COC1C[C@@H]2CC[C@H](C1)[N@H+]2CC(C)C 585380389 574008335 /nfs/dbraw/zinc/00/83/35/574008335.db2.gz XCHJFNLPARJKNZ-FOSCPWQOSA-N 1 1 197.322 2.284 10 0 AEAEMO CC(=O)[C@H]([NH3+])c1ccc(C)cc1Cl 104504736 574019107 /nfs/dbraw/zinc/01/91/07/574019107.db2.gz WZUCUDQOSSINHU-JTQLQIEISA-N 1 1 197.665 2.237 10 0 AEAEMO CC(=O)[C@H]([NH3+])c1c(C)cccc1Cl 104504728 574020920 /nfs/dbraw/zinc/02/09/20/574020920.db2.gz UHGZBHHROXOODB-JTQLQIEISA-N 1 1 197.665 2.237 10 0 AEAEMO CC(C)C[N@@H+](CC(C)(C)O)C(C)C 42589518 574023540 /nfs/dbraw/zinc/02/35/40/574023540.db2.gz PQKHEPCSXHKSKB-UHFFFAOYSA-N 1 1 187.327 2.124 10 0 AEAEMO CC[C@H](C)[N@H+]1CC[C@H](O)CC1(C)C 259277872 574024081 /nfs/dbraw/zinc/02/40/81/574024081.db2.gz GKOUYDZQVAJQGV-UWVGGRQHSA-N 1 1 185.311 2.020 10 0 AEAEMO C[C@@H]1CS[C@@H](c2ccco2)[NH2+]1 85309442 574032549 /nfs/dbraw/zinc/03/25/49/574032549.db2.gz QKUJUBLVTYKYDC-SVRRBLITSA-N 1 1 169.249 2.003 10 0 AEAEMO C[C@@H]1CS[C@H](c2cccc(O)c2)[NH2+]1 85310424 574032615 /nfs/dbraw/zinc/03/26/15/574032615.db2.gz IQPSSBXDWQKEMT-GMSGAONNSA-N 1 1 195.287 2.116 10 0 AEAEMO c1csc([C@H]2[NH2+]CCCS2)c1 85314734 574032813 /nfs/dbraw/zinc/03/28/13/574032813.db2.gz UJZMONNICMPLEG-QMMMGPOBSA-N 1 1 185.317 2.473 10 0 AEAEMO c1csc([C@@H]2[NH2+]CCCS2)c1 85314733 574033037 /nfs/dbraw/zinc/03/30/37/574033037.db2.gz UJZMONNICMPLEG-MRVPVSSYSA-N 1 1 185.317 2.473 10 0 AEAEMO c1cc([C@H]2[NH2+]CCCS2)cs1 85314710 574033182 /nfs/dbraw/zinc/03/31/82/574033182.db2.gz WTQDNNOMJCYVRK-QMMMGPOBSA-N 1 1 185.317 2.473 10 0 AEAEMO Oc1ccc([C@@H]2[NH2+]CCCS2)cc1 85314639 574033611 /nfs/dbraw/zinc/03/36/11/574033611.db2.gz NSHQSBKOSYHFHM-SNVBAGLBSA-N 1 1 195.287 2.117 10 0 AEAEMO c1cc([C@@H]2[NH2+]CCCS2)cs1 85314709 574034269 /nfs/dbraw/zinc/03/42/69/574034269.db2.gz WTQDNNOMJCYVRK-MRVPVSSYSA-N 1 1 185.317 2.473 10 0 AEAEMO Oc1ccc([C@H]2[NH2+]CCCS2)cc1 85314640 574034425 /nfs/dbraw/zinc/03/44/25/574034425.db2.gz NSHQSBKOSYHFHM-JTQLQIEISA-N 1 1 195.287 2.117 10 0 AEAEMO Cc1[nH]c2c([nH+]1)-c1ccccc1CC2 223782009 574034492 /nfs/dbraw/zinc/03/44/92/574034492.db2.gz QHAIKQDZTIRDAT-UHFFFAOYSA-N 1 1 184.242 2.484 10 0 AEAEMO CCC[C@H](C)Nc1cc[nH+]c(NC)n1 87807754 574039568 /nfs/dbraw/zinc/03/95/68/574039568.db2.gz LEUGYIJUFZXEQZ-QMMMGPOBSA-N 1 1 194.282 2.119 10 0 AEAEMO CC[C@H]1CS[C@H](c2ccccn2)[NH2+]1 85347271 574039692 /nfs/dbraw/zinc/03/96/92/574039692.db2.gz KVJGEKWFQQRECM-WCBMZHEXSA-N 1 1 194.303 2.195 10 0 AEAEMO CC1(C)CS[C@@H](c2ccoc2)[NH2+]1 85349627 574044009 /nfs/dbraw/zinc/04/40/09/574044009.db2.gz XATXLQNZKKJOAU-QMMMGPOBSA-N 1 1 183.276 2.393 10 0 AEAEMO CC1(C)CS[C@H](c2ccco2)[NH2+]1 85349592 574044163 /nfs/dbraw/zinc/04/41/63/574044163.db2.gz WTWQKGWAYXEWKJ-MRVPVSSYSA-N 1 1 183.276 2.393 10 0 AEAEMO CC(C)[C@H]1CC[N@@H+](CCCF)C1 388485230 538432830 /nfs/dbraw/zinc/43/28/30/538432830.db2.gz ZFOYCMCQMJJIOP-JTQLQIEISA-N 1 1 173.275 2.324 10 0 AEAEMO FCCCC[N@H+]1C[C@@H]2CCC[C@H]21 388523848 538433231 /nfs/dbraw/zinc/43/32/31/538433231.db2.gz YPVMSNWYWUVKGX-VHSXEESVSA-N 1 1 171.259 2.220 10 0 AEAEMO FCCCC[N@H+]1C[C@H]2CCC[C@H]21 388523844 538433235 /nfs/dbraw/zinc/43/32/35/538433235.db2.gz YPVMSNWYWUVKGX-NXEZZACHSA-N 1 1 171.259 2.220 10 0 AEAEMO CC(C)[C@H](C)[N@@H+](C)CC1(F)CC1 388505239 538433248 /nfs/dbraw/zinc/43/32/48/538433248.db2.gz OEIGBTUTEIBWKT-VIFPVBQESA-N 1 1 173.275 2.465 10 0 AEAEMO CC/C=C/CC[N@H+]1CCCOCC1 388595344 538433894 /nfs/dbraw/zinc/43/38/94/538433894.db2.gz CLIHKBGJONNGSF-ONEGZZNKSA-N 1 1 183.295 2.065 10 0 AEAEMO CC(C)C[C@@H](C)[N@H+]1CC[C@H](CCO)C1 388994466 538439024 /nfs/dbraw/zinc/43/90/24/538439024.db2.gz WCPCYSLOZWVJBS-VXGBXAGGSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 252475879 519863877 /nfs/dbraw/zinc/86/38/77/519863877.db2.gz ILYPMRLVQDZQFX-NWDGAFQWSA-N 1 1 197.322 2.023 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1CCF 306563229 629662455 /nfs/dbraw/zinc/66/24/55/629662455.db2.gz VENAZTCIFHBFLG-VIFPVBQESA-N 1 1 159.248 2.220 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1CCF 306563228 629663983 /nfs/dbraw/zinc/66/39/83/629663983.db2.gz VENAZTCIFHBFLG-SECBINFHSA-N 1 1 159.248 2.220 10 0 AEAEMO CC[C@H]1CC[N@H+]1C[C@@H]1CCC=CO1 306793833 629679690 /nfs/dbraw/zinc/67/96/90/629679690.db2.gz RTTSCLPAWIOZGJ-QWRGUYRKSA-N 1 1 181.279 2.163 10 0 AEAEMO C1CCC(C[N@H+]2CC[C@@H]3C[C@@H]32)C1 306717640 629668478 /nfs/dbraw/zinc/66/84/78/629668478.db2.gz VMGUVAZBCFLECO-MNOVXSKESA-N 1 1 165.280 2.271 10 0 AEAEMO C1CCC(C[N@H+]2CC[C@H]3C[C@H]32)C1 306717642 629671696 /nfs/dbraw/zinc/67/16/96/629671696.db2.gz VMGUVAZBCFLECO-WDEREUQCSA-N 1 1 165.280 2.271 10 0 AEAEMO CC(=O)CC[N@H+]1C[C@H]2CCCC[C@H]2C1 306733568 629673065 /nfs/dbraw/zinc/67/30/65/629673065.db2.gz IFXLKDZEPYNVRZ-TXEJJXNPSA-N 1 1 195.306 2.088 10 0 AEAEMO C[C@H]1CSCC[N@H+]1Cc1ccoc1 306698533 629673394 /nfs/dbraw/zinc/67/33/94/629673394.db2.gz XNJBQJYKQQCJGG-VIFPVBQESA-N 1 1 197.303 2.217 10 0 AEAEMO CC[C@H]1CC[N@H+]1C[C@H]1CCC=CO1 306793836 629676535 /nfs/dbraw/zinc/67/65/35/629676535.db2.gz RTTSCLPAWIOZGJ-WDEREUQCSA-N 1 1 181.279 2.163 10 0 AEAEMO C[C@@H]1C[C@@H]([NH2+][C@H](C)C(F)F)CS1 306775173 629676765 /nfs/dbraw/zinc/67/67/65/629676765.db2.gz WOMGNZBSAGNLAS-FSDSQADBSA-N 1 1 195.278 2.124 10 0 AEAEMO C[C@@H]1C[C@H]([NH2+][C@H](C)C(F)F)CS1 306775174 629677121 /nfs/dbraw/zinc/67/71/21/629677121.db2.gz WOMGNZBSAGNLAS-QYNIQEEDSA-N 1 1 195.278 2.124 10 0 AEAEMO C1=CC[N@@H+](Cc2ccoc2)CC1 306769217 629678766 /nfs/dbraw/zinc/67/87/66/629678766.db2.gz ACDZKAFGAVHAFM-UHFFFAOYSA-N 1 1 163.220 2.042 10 0 AEAEMO C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)C(F)F 306775175 629679115 /nfs/dbraw/zinc/67/91/15/629679115.db2.gz WOMGNZBSAGNLAS-VQVTYTSYSA-N 1 1 195.278 2.124 10 0 AEAEMO C[C@H]([NH2+][C@H]1CS[C@H](C)C1)C(F)F 306775172 629679226 /nfs/dbraw/zinc/67/92/26/629679226.db2.gz WOMGNZBSAGNLAS-DSYKOEDSSA-N 1 1 195.278 2.124 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1CCF 306935085 629685084 /nfs/dbraw/zinc/68/50/84/629685084.db2.gz FUJODNZFFOSMPQ-SECBINFHSA-N 1 1 159.248 2.220 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1CCF 306935086 629685575 /nfs/dbraw/zinc/68/55/75/629685575.db2.gz FUJODNZFFOSMPQ-VIFPVBQESA-N 1 1 159.248 2.220 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1C/C=C/Cl 306277504 629686789 /nfs/dbraw/zinc/68/67/89/629686789.db2.gz FUFFZKMOSRDWPB-ZKMUWOAOSA-N 1 1 159.660 2.222 10 0 AEAEMO C[C@H](N)[C@H](C)[NH2+]C1CCCCCCC1 306200700 629687963 /nfs/dbraw/zinc/68/79/63/629687963.db2.gz KAUZGRNPCUHBCS-QWRGUYRKSA-N 1 1 198.354 2.425 10 0 AEAEMO CC(=O)CC[N@@H+]1C[C@@H](C)CC1(C)C 306249247 629688509 /nfs/dbraw/zinc/68/85/09/629688509.db2.gz ZZAXHYPNXFCOJQ-VIFPVBQESA-N 1 1 183.295 2.086 10 0 AEAEMO C[C@H](N)[C@@H](C)[NH2+]C1CCCCCCC1 306200879 629690707 /nfs/dbraw/zinc/69/07/07/629690707.db2.gz KAUZGRNPCUHBCS-WDEREUQCSA-N 1 1 198.354 2.425 10 0 AEAEMO FC(F)(F)CC[N@H+]1CC[C@@H]2C[C@@H]21 306395068 629693065 /nfs/dbraw/zinc/69/30/65/629693065.db2.gz FSTBJONATDWVMD-RQJHMYQMSA-N 1 1 179.185 2.033 10 0 AEAEMO FC(F)(F)CC[N@H+]1CC[C@H]2C[C@H]21 306395064 629695839 /nfs/dbraw/zinc/69/58/39/629695839.db2.gz FSTBJONATDWVMD-NKWVEPMBSA-N 1 1 179.185 2.033 10 0 AEAEMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCF 306447778 629698165 /nfs/dbraw/zinc/69/81/65/629698165.db2.gz UWPNIKCXGQOJSQ-RQJHMYQMSA-N 1 1 199.191 2.229 10 0 AEAEMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCF 306447778 629698180 /nfs/dbraw/zinc/69/81/80/629698180.db2.gz UWPNIKCXGQOJSQ-RQJHMYQMSA-N 1 1 199.191 2.229 10 0 AEAEMO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCF 306447776 629698526 /nfs/dbraw/zinc/69/85/26/629698526.db2.gz UWPNIKCXGQOJSQ-RNFRBKRXSA-N 1 1 199.191 2.229 10 0 AEAEMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCF 306447776 629698530 /nfs/dbraw/zinc/69/85/30/629698530.db2.gz UWPNIKCXGQOJSQ-RNFRBKRXSA-N 1 1 199.191 2.229 10 0 AEAEMO C[C@@H]1C[N@@H+]([C@H](C)C2CC2)C[C@@H]1C 306448987 629699005 /nfs/dbraw/zinc/69/90/05/629699005.db2.gz XOURWXSSKHFMMX-KXUCPTDWSA-N 1 1 167.296 2.373 10 0 AEAEMO CC[C@H]1[NH2+][C@H](c2ccco2)CCO1 757153937 629712087 /nfs/dbraw/zinc/71/20/87/629712087.db2.gz YMQBQTCQLGTVBK-WPRPVWTQSA-N 1 1 181.235 2.067 10 0 AEAEMO C[C@@H](C1CC1)[N@H+]1CC[C@@H](C)[C@@H](F)C1 307047757 629737654 /nfs/dbraw/zinc/73/76/54/629737654.db2.gz BJNMNCCPRPPWGP-YWVKMMECSA-N 1 1 185.286 2.465 10 0 AEAEMO C[C@@H]1CC[N@H+]([C@H](C)C2CC2)C[C@H]1F 307047754 629738590 /nfs/dbraw/zinc/73/85/90/629738590.db2.gz BJNMNCCPRPPWGP-FXPVBKGRSA-N 1 1 185.286 2.465 10 0 AEAEMO Cc1cnc(C[N@@H+]2CC[C@H]3C[C@H]32)s1 307086432 629738745 /nfs/dbraw/zinc/73/87/45/629738745.db2.gz NHOKJHRHAQVOOY-DTWKUNHWSA-N 1 1 194.303 2.046 10 0 AEAEMO Cc1cnc(C[N@H+]2CC[C@H]3C[C@H]32)s1 307086432 629738747 /nfs/dbraw/zinc/73/87/47/629738747.db2.gz NHOKJHRHAQVOOY-DTWKUNHWSA-N 1 1 194.303 2.046 10 0 AEAEMO CC1(C[N@H+]2CCC2(C)C)CC1 307053558 629740183 /nfs/dbraw/zinc/74/01/83/629740183.db2.gz PXKJQGSBWVIVGV-UHFFFAOYSA-N 1 1 153.269 2.271 10 0 AEAEMO C[C@@H](C1CC1)[N@H+]1CC[C@@H](C)[C@H](F)C1 307047756 629740316 /nfs/dbraw/zinc/74/03/16/629740316.db2.gz BJNMNCCPRPPWGP-WCABBAIRSA-N 1 1 185.286 2.465 10 0 AEAEMO C[C@@H]1CC[N@H+]([C@H](C)C2CC2)C[C@@H]1F 307047755 629741493 /nfs/dbraw/zinc/74/14/93/629741493.db2.gz BJNMNCCPRPPWGP-KKZNHRDASA-N 1 1 185.286 2.465 10 0 AEAEMO C[C@@H]1C[C@@H]1C[N@H+]1CCC1(C)C 307133323 629744404 /nfs/dbraw/zinc/74/44/04/629744404.db2.gz MPPXVAYXPIKOIM-RKDXNWHRSA-N 1 1 153.269 2.127 10 0 AEAEMO CS[C@H]1CCCC[N@@H+](CCF)C1 307107459 629744545 /nfs/dbraw/zinc/74/45/45/629744545.db2.gz FSTPOKGYHHDEMQ-VIFPVBQESA-N 1 1 191.315 2.173 10 0 AEAEMO CS[C@@H]1CCCC[N@@H+](CCF)C1 307107457 629744673 /nfs/dbraw/zinc/74/46/73/629744673.db2.gz FSTPOKGYHHDEMQ-SECBINFHSA-N 1 1 191.315 2.173 10 0 AEAEMO C[C@@H]1C[C@H]1C[N@H+]1CCC1(C)C 307133320 629745092 /nfs/dbraw/zinc/74/50/92/629745092.db2.gz MPPXVAYXPIKOIM-BDAKNGLRSA-N 1 1 153.269 2.127 10 0 AEAEMO C[C@H]1C[C@H]1C[N@H+]1CCC1(C)C 307133322 629745693 /nfs/dbraw/zinc/74/56/93/629745693.db2.gz MPPXVAYXPIKOIM-IUCAKERBSA-N 1 1 153.269 2.127 10 0 AEAEMO C[C@H]1C[C@@H]1C[N@H+]1CCC1(C)C 307133321 629746296 /nfs/dbraw/zinc/74/62/96/629746296.db2.gz MPPXVAYXPIKOIM-DTWKUNHWSA-N 1 1 153.269 2.127 10 0 AEAEMO C[C@H]1C[C@@H](C)C[N@H+](CCF)[C@@H]1C 307284353 629758801 /nfs/dbraw/zinc/75/88/01/629758801.db2.gz KXGZMZCGXFFNLW-KXUCPTDWSA-N 1 1 173.275 2.322 10 0 AEAEMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CCF)C1 307284354 629758930 /nfs/dbraw/zinc/75/89/30/629758930.db2.gz KXGZMZCGXFFNLW-OPRDCNLKSA-N 1 1 173.275 2.322 10 0 AEAEMO C[C@H]1C[C@@H](C)C[N@H+](CCF)[C@H]1C 307284355 629759522 /nfs/dbraw/zinc/75/95/22/629759522.db2.gz KXGZMZCGXFFNLW-UTLUCORTSA-N 1 1 173.275 2.322 10 0 AEAEMO C1=C[C@H]([N@H+]2CC[C@H]3C[C@H]32)CCC1 307459098 629770406 /nfs/dbraw/zinc/77/04/06/629770406.db2.gz DMEPNDOGGJBBGJ-GARJFASQSA-N 1 1 163.264 2.189 10 0 AEAEMO C1=C[C@H]([N@H+]2CC[C@@H]3C[C@@H]32)CCC1 307459112 629770869 /nfs/dbraw/zinc/77/08/69/629770869.db2.gz DMEPNDOGGJBBGJ-VWYCJHECSA-N 1 1 163.264 2.189 10 0 AEAEMO CC(C)=CC[N@H+]1CC[C@@H]2C[C@@H]21 307525173 629777732 /nfs/dbraw/zinc/77/77/32/629777732.db2.gz BVEZQZXHINZOEN-ZJUUUORDSA-N 1 1 151.253 2.047 10 0 AEAEMO CC(C)=CC[N@H+]1CC[C@H]2C[C@H]21 307525171 629781102 /nfs/dbraw/zinc/78/11/02/629781102.db2.gz BVEZQZXHINZOEN-VHSXEESVSA-N 1 1 151.253 2.047 10 0 AEAEMO C[C@H]1C(=O)CCC[N@H+]1CCCC1CC1 932844854 629783392 /nfs/dbraw/zinc/78/33/92/629783392.db2.gz MDTGSWLWGFPYLH-JTQLQIEISA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@H]1C(=O)CCC[N@@H+]1CCCC1CC1 932844854 629783403 /nfs/dbraw/zinc/78/34/03/629783403.db2.gz MDTGSWLWGFPYLH-JTQLQIEISA-N 1 1 195.306 2.230 10 0 AEAEMO CCCCC[N@H+]1CC[C@@H]2C[C@@H]21 307620909 629793365 /nfs/dbraw/zinc/79/33/65/629793365.db2.gz IVHRSAMJXPFPFF-ZJUUUORDSA-N 1 1 153.269 2.271 10 0 AEAEMO C[C@@H]1C(=O)CCC[N@H+]1CCCC1CC1 932844856 629785795 /nfs/dbraw/zinc/78/57/95/629785795.db2.gz MDTGSWLWGFPYLH-SNVBAGLBSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@@H]1C(=O)CCC[N@@H+]1CCCC1CC1 932844856 629785803 /nfs/dbraw/zinc/78/58/03/629785803.db2.gz MDTGSWLWGFPYLH-SNVBAGLBSA-N 1 1 195.306 2.230 10 0 AEAEMO C[Si](C)(C)C[N@H+]1CCC=C(F)C1 307592387 629785919 /nfs/dbraw/zinc/78/59/19/629785919.db2.gz DHHMRHPPAZVGLX-UHFFFAOYSA-N 1 1 187.334 2.423 10 0 AEAEMO CCCCC[N@H+]1CC[C@H]2C[C@H]21 307620908 629789706 /nfs/dbraw/zinc/78/97/06/629789706.db2.gz IVHRSAMJXPFPFF-VHSXEESVSA-N 1 1 153.269 2.271 10 0 AEAEMO CC(C)=CCC[N@H+]1CCCC(=O)[C@@H]1C 932847679 629791103 /nfs/dbraw/zinc/79/11/03/629791103.db2.gz YZXJAPSZHPFQHP-NSHDSACASA-N 1 1 195.306 2.396 10 0 AEAEMO CC(C)=CCC[N@@H+]1CCCC(=O)[C@@H]1C 932847679 629791097 /nfs/dbraw/zinc/79/10/97/629791097.db2.gz YZXJAPSZHPFQHP-NSHDSACASA-N 1 1 195.306 2.396 10 0 AEAEMO CC1(C)CC[N@H+]1Cc1ccco1 307623824 629791293 /nfs/dbraw/zinc/79/12/93/629791293.db2.gz RBYRNOULPTVBCE-UHFFFAOYSA-N 1 1 165.236 2.264 10 0 AEAEMO C[C@H](C1CC1)[N@H+]1CCC=C(F)C1 307607391 629792415 /nfs/dbraw/zinc/79/24/15/629792415.db2.gz FGGNHXPKDOLBTR-MRVPVSSYSA-N 1 1 169.243 2.344 10 0 AEAEMO CC(C)=CCC[N@@H+]1CCCC(=O)[C@H]1C 932847678 629792585 /nfs/dbraw/zinc/79/25/85/629792585.db2.gz YZXJAPSZHPFQHP-LLVKDONJSA-N 1 1 195.306 2.396 10 0 AEAEMO CC(C)=CCC[N@H+]1CCCC(=O)[C@H]1C 932847678 629792590 /nfs/dbraw/zinc/79/25/90/629792590.db2.gz YZXJAPSZHPFQHP-LLVKDONJSA-N 1 1 195.306 2.396 10 0 AEAEMO C[C@@H](C1CC1)[N@H+]1CCC=C(F)C1 307607392 629793418 /nfs/dbraw/zinc/79/34/18/629793418.db2.gz FGGNHXPKDOLBTR-QMMMGPOBSA-N 1 1 169.243 2.344 10 0 AEAEMO Cl/C=C/C[N@H+]1CCCSCC1 307619187 629797936 /nfs/dbraw/zinc/79/79/36/629797936.db2.gz WPUMIMGQVJLRBD-HNQUOIGGSA-N 1 1 191.727 2.178 10 0 AEAEMO C[C@@H]1CC[C@]2(CC[N@@H+](CCF)C2)C1 307746707 629809659 /nfs/dbraw/zinc/80/96/59/629809659.db2.gz WFZNJISSHNVWAT-MNOVXSKESA-N 1 1 185.286 2.468 10 0 AEAEMO C[C@H]1CC[C@@]2(CC[N@@H+](CCF)C2)C1 307746709 629810956 /nfs/dbraw/zinc/81/09/56/629810956.db2.gz WFZNJISSHNVWAT-WDEREUQCSA-N 1 1 185.286 2.468 10 0 AEAEMO C[C@@H]1CC[C@@]2(CC[N@@H+](CCF)C2)C1 307746706 629811383 /nfs/dbraw/zinc/81/13/83/629811383.db2.gz WFZNJISSHNVWAT-GHMZBOCLSA-N 1 1 185.286 2.468 10 0 AEAEMO C[C@H]1CC[C@]2(CC[N@@H+](CCF)C2)C1 307746708 629811531 /nfs/dbraw/zinc/81/15/31/629811531.db2.gz WFZNJISSHNVWAT-QWRGUYRKSA-N 1 1 185.286 2.468 10 0 AEAEMO CC[C@@H](C)C[N@@H+]1CCCC[C@@H]1CNC 50425100 629819233 /nfs/dbraw/zinc/81/92/33/629819233.db2.gz MFYQOPKRPIPUCJ-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CCCC[C@@H]1CNC 50425100 629819238 /nfs/dbraw/zinc/81/92/38/629819238.db2.gz MFYQOPKRPIPUCJ-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO C[C@H]1C[N@@H+](C/C=C\Cl)CCS1 307862652 629820289 /nfs/dbraw/zinc/82/02/89/629820289.db2.gz HTIUXOKLUHELTB-KZUAUGPASA-N 1 1 191.727 2.176 10 0 AEAEMO CC[C@H](C)C[N@@H+]1CCCC[C@@H]1CNC 50425101 629820505 /nfs/dbraw/zinc/82/05/05/629820505.db2.gz MFYQOPKRPIPUCJ-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCCC[C@@H]1CNC 50425101 629820508 /nfs/dbraw/zinc/82/05/08/629820508.db2.gz MFYQOPKRPIPUCJ-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCO[C@H]1CC[N@H+]([C@@H](C)C(C)C)C1 932972391 629822974 /nfs/dbraw/zinc/82/29/74/629822974.db2.gz RTKPCRIFPZCYQL-QWRGUYRKSA-N 1 1 185.311 2.142 10 0 AEAEMO CCO[C@H]1CC[N@H+]([C@H](C)C(C)C)C1 932972388 629823093 /nfs/dbraw/zinc/82/30/93/629823093.db2.gz RTKPCRIFPZCYQL-MNOVXSKESA-N 1 1 185.311 2.142 10 0 AEAEMO CC(C)C(=O)CC[N@H+]1CCC[C@@H]1C 308137691 629836614 /nfs/dbraw/zinc/83/66/14/629836614.db2.gz GINKPYPYLKSTDG-JTQLQIEISA-N 1 1 183.295 2.086 10 0 AEAEMO COCCC[N@H+]1CCCC12CCC2 308355879 629860483 /nfs/dbraw/zinc/86/04/83/629860483.db2.gz KSRCYVIWORMAPW-UHFFFAOYSA-N 1 1 183.295 2.041 10 0 AEAEMO FCC[N@H+](CC1CCC1)CC1CC1 308395232 629861692 /nfs/dbraw/zinc/86/16/92/629861692.db2.gz CYCARFVDMTVSRY-UHFFFAOYSA-N 1 1 185.286 2.468 10 0 AEAEMO CO[C@H]1CC[C@H]1[N@@H+](C)CC1=CCCC1 934109113 629878602 /nfs/dbraw/zinc/87/86/02/629878602.db2.gz SPSXFIYDEYBSEK-NEPJUHHUSA-N 1 1 195.306 2.206 10 0 AEAEMO CO[C@@H]1CC[C@@H]1[N@@H+](C)CC1=CCCC1 934109114 629878613 /nfs/dbraw/zinc/87/86/13/629878613.db2.gz SPSXFIYDEYBSEK-NWDGAFQWSA-N 1 1 195.306 2.206 10 0 AEAEMO CO[C@@H]1CC[C@H]1[N@@H+](C)CC1=CCCC1 934109116 629878665 /nfs/dbraw/zinc/87/86/65/629878665.db2.gz SPSXFIYDEYBSEK-VXGBXAGGSA-N 1 1 195.306 2.206 10 0 AEAEMO CO[C@H]1CC[C@@H]1[N@@H+](C)CC1=CCCC1 934109115 629878702 /nfs/dbraw/zinc/87/87/02/629878702.db2.gz SPSXFIYDEYBSEK-RYUDHWBXSA-N 1 1 195.306 2.206 10 0 AEAEMO CC[C@@H](C)[N@H+]1C[C@@H]2CSC[C@]2(C)C1 934765672 629893083 /nfs/dbraw/zinc/89/30/83/629893083.db2.gz GREBKKNGIZMFKE-MXWKQRLJSA-N 1 1 199.363 2.470 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@@H]2CSC[C@]2(C)C1 934765671 629893226 /nfs/dbraw/zinc/89/32/26/629893226.db2.gz GREBKKNGIZMFKE-AXFHLTTASA-N 1 1 199.363 2.470 10 0 AEAEMO CCCCCC[N@H+]1CC[C@@H](CCO)C1 161601794 629894436 /nfs/dbraw/zinc/89/44/36/629894436.db2.gz JQKQIFLQSGKLIY-LBPRGKRZSA-N 1 1 199.338 2.271 10 0 AEAEMO CCC[C@@H](C)C[N@@H+](CCO)C(C)C 51323792 629899404 /nfs/dbraw/zinc/89/94/04/629899404.db2.gz AVXQDYJGAABKDG-LLVKDONJSA-N 1 1 187.327 2.125 10 0 AEAEMO CCC[C@H](C)C[N@@H+](CCO)C(C)C 51323794 629900733 /nfs/dbraw/zinc/90/07/33/629900733.db2.gz AVXQDYJGAABKDG-NSHDSACASA-N 1 1 187.327 2.125 10 0 AEAEMO C[C@@H]([NH2+][C@H]1CC1(C)C)c1ncco1 926580168 629906342 /nfs/dbraw/zinc/90/63/42/629906342.db2.gz NCPYYUSYOVRNOV-SFYZADRCSA-N 1 1 180.251 2.124 10 0 AEAEMO C[C@H]([NH2+][C@H]1CC1(C)C)c1ncco1 926580169 629909550 /nfs/dbraw/zinc/90/95/50/629909550.db2.gz NCPYYUSYOVRNOV-YUMQZZPRSA-N 1 1 180.251 2.124 10 0 AEAEMO CCCCCC[N@H+]1CC[C@H](CCO)C1 161601669 629931648 /nfs/dbraw/zinc/93/16/48/629931648.db2.gz JQKQIFLQSGKLIY-GFCCVEGCSA-N 1 1 199.338 2.271 10 0 AEAEMO CCC[N@@H+](C)C/C=C/Cl 149421792 629956052 /nfs/dbraw/zinc/95/60/52/629956052.db2.gz BWUQCQYQENOGSG-SNAWJCMRSA-N 1 1 147.649 2.081 10 0 AEAEMO CCCCC[C@H](C)[NH2+][C@H](C)[C@@H](C)N 308196680 629996915 /nfs/dbraw/zinc/99/69/15/629996915.db2.gz NAWLYDSJQJTFMQ-HBNTYKKESA-N 1 1 186.343 2.281 10 0 AEAEMO CCCCC[C@H](C)[NH2+][C@H](C)[C@H](C)N 308196676 629998717 /nfs/dbraw/zinc/99/87/17/629998717.db2.gz NAWLYDSJQJTFMQ-GARJFASQSA-N 1 1 186.343 2.281 10 0 AEAEMO CNc1ccc(N2CCCCC2)[nH+]c1 62796773 522630652 /nfs/dbraw/zinc/63/06/52/522630652.db2.gz HVPKULQRBJTZAG-UHFFFAOYSA-N 1 1 191.278 2.114 10 0 AEAEMO C[N@@H+]1CC(C)(C)Cc2cc(N)ccc21 71477051 523745198 /nfs/dbraw/zinc/74/51/98/523745198.db2.gz HXFHPXQAHYTUBS-UHFFFAOYSA-N 1 1 190.290 2.287 10 0 AEAEMO C[N@H+]1CC(C)(C)Cc2cc(N)ccc21 71477051 523745206 /nfs/dbraw/zinc/74/52/06/523745206.db2.gz HXFHPXQAHYTUBS-UHFFFAOYSA-N 1 1 190.290 2.287 10 0 AEAEMO C#CC[N@H+](C)C(C)(C)c1ccccc1 33978569 630005550 /nfs/dbraw/zinc/00/55/50/630005550.db2.gz VSKMBAUXHAEDAZ-UHFFFAOYSA-N 1 1 187.286 2.487 10 0 AEAEMO CCC(=O)CC[N@@H+](C)CC(C)(C)C 308288769 630009161 /nfs/dbraw/zinc/00/91/61/630009161.db2.gz FTWWIENOSXCEKG-UHFFFAOYSA-N 1 1 185.311 2.334 10 0 AEAEMO CCC[C@@H](C)[N@@H+](C)CCCF 378968675 630011519 /nfs/dbraw/zinc/01/15/19/630011519.db2.gz DRPOZHAXQMOOBB-SECBINFHSA-N 1 1 161.264 2.466 10 0 AEAEMO CCCC[C@@H](C)[N@@H+](C)C[C@@H](O)C1CC1 308693029 630020308 /nfs/dbraw/zinc/02/03/08/630020308.db2.gz RZUZVDNVTOAYPE-ZYHUDNBSSA-N 1 1 199.338 2.268 10 0 AEAEMO C[C@H](C1CC1)[N@H+]1CC[C@@H]2C[C@@H]2C1 931058983 630032902 /nfs/dbraw/zinc/03/29/02/630032902.db2.gz MVCMGCYFRWBNGC-FBIMIBRVSA-N 1 1 165.280 2.127 10 0 AEAEMO C[C@H](C1CC1)[N@H+]1CC[C@H]2C[C@H]2C1 931058985 630033147 /nfs/dbraw/zinc/03/31/47/630033147.db2.gz MVCMGCYFRWBNGC-MIMYLULJSA-N 1 1 165.280 2.127 10 0 AEAEMO CCCC[N@@H+](CC)CCC(C)=O 20303436 630034726 /nfs/dbraw/zinc/03/47/26/630034726.db2.gz VCFICZBZIXQYBZ-UHFFFAOYSA-N 1 1 171.284 2.088 10 0 AEAEMO CCC[C@H](C)CC[NH2+][C@H]1CCC[C@@H]1N 925733930 630047406 /nfs/dbraw/zinc/04/74/06/630047406.db2.gz NESKBOLUTIMACR-SRVKXCTJSA-N 1 1 198.354 2.282 10 0 AEAEMO CCC[C@H](C)CC[NH2+][C@@H]1CCC[C@@H]1N 925733929 630047501 /nfs/dbraw/zinc/04/75/01/630047501.db2.gz NESKBOLUTIMACR-SDDRHHMPSA-N 1 1 198.354 2.282 10 0 AEAEMO CCC[C@H](C)CC[NH2+][C@H]1CCC[C@H]1N 925734151 630048189 /nfs/dbraw/zinc/04/81/89/630048189.db2.gz NESKBOLUTIMACR-TUAOUCFPSA-N 1 1 198.354 2.282 10 0 AEAEMO CCC[C@H](C)CC[NH2+][C@@H]1CCC[C@H]1N 925733928 630048494 /nfs/dbraw/zinc/04/84/94/630048494.db2.gz NESKBOLUTIMACR-QJPTWQEYSA-N 1 1 198.354 2.282 10 0 AEAEMO CC[N@@H+](C)CCc1ccc(F)c(F)c1 259142061 630053745 /nfs/dbraw/zinc/05/37/45/630053745.db2.gz RMVVSWRRPOSKKB-UHFFFAOYSA-N 1 1 199.244 2.459 10 0 AEAEMO C[C@H]1CCC[N@H+]1CCC(=O)C(C)(C)C 54026262 630055382 /nfs/dbraw/zinc/05/53/82/630055382.db2.gz LIHPIALTWYSLJT-JTQLQIEISA-N 1 1 197.322 2.476 10 0 AEAEMO C[C@@H]1CC[N@@H+](CCC(=O)C(C)(C)C)C1 54026519 630055717 /nfs/dbraw/zinc/05/57/17/630055717.db2.gz PNTYDTZTKCSFOY-SNVBAGLBSA-N 1 1 197.322 2.334 10 0 AEAEMO C[C@H]1CC[N@@H+](CCC(=O)C(C)(C)C)C1 54026522 630056125 /nfs/dbraw/zinc/05/61/25/630056125.db2.gz PNTYDTZTKCSFOY-JTQLQIEISA-N 1 1 197.322 2.334 10 0 AEAEMO CCC[N@@H+](C)CCC(=O)C(C)(C)C 54026406 630056227 /nfs/dbraw/zinc/05/62/27/630056227.db2.gz ARBWCIFSZONNLP-UHFFFAOYSA-N 1 1 185.311 2.334 10 0 AEAEMO C[N@@H+](CCC(=O)C(C)(C)C)CC1CC1 54026511 630056658 /nfs/dbraw/zinc/05/66/58/630056658.db2.gz OJTBFNNFGVXSIG-UHFFFAOYSA-N 1 1 197.322 2.334 10 0 AEAEMO C[C@@H]1CCC[N@H+]1CCC(=O)C(C)(C)C 54026260 630056740 /nfs/dbraw/zinc/05/67/40/630056740.db2.gz LIHPIALTWYSLJT-SNVBAGLBSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@H](C)C[N@@H+](CC)C[C@@H](O)C1CC1 223338433 630057420 /nfs/dbraw/zinc/05/74/20/630057420.db2.gz DPQNPSAASZDVOF-CMPLNLGQSA-N 1 1 199.338 2.125 10 0 AEAEMO CC(C)CCCC[NH2+]Cc1ccn[nH]1 96867464 630062523 /nfs/dbraw/zinc/06/25/23/630062523.db2.gz LXDINXQXHFPLTB-UHFFFAOYSA-N 1 1 195.310 2.326 10 0 AEAEMO CCCC[N@@H+](C)Cc1[nH]nc(C)c1C 893870845 630069087 /nfs/dbraw/zinc/06/90/87/630069087.db2.gz DALIWCVRAWFOEB-UHFFFAOYSA-N 1 1 195.310 2.258 10 0 AEAEMO CC[N@@H+](CCOC)Cc1cc(C)co1 893927118 630069162 /nfs/dbraw/zinc/06/91/62/630069162.db2.gz BKJIQHXJHWLYEU-UHFFFAOYSA-N 1 1 197.278 2.056 10 0 AEAEMO CC[NH+](CC)Cc1nc(C(C)C)c[nH]1 893870910 630069277 /nfs/dbraw/zinc/06/92/77/630069277.db2.gz FIDCTANHUTUXFU-UHFFFAOYSA-N 1 1 195.310 2.375 10 0 AEAEMO CC[N@@H+](C)Cc1cc(C)co1 893921258 630069659 /nfs/dbraw/zinc/06/96/59/630069659.db2.gz JCSIBXDVOSKFAW-UHFFFAOYSA-N 1 1 153.225 2.040 10 0 AEAEMO Cc1n[nH]c(C[N@H+](C)CC(C)C)c1C 893925058 630069694 /nfs/dbraw/zinc/06/96/94/630069694.db2.gz UQVBUHAJPNLQND-UHFFFAOYSA-N 1 1 195.310 2.114 10 0 AEAEMO Cc1coc(C[N@H+](C)C(C)C)c1 893871833 630069738 /nfs/dbraw/zinc/06/97/38/630069738.db2.gz MWZQZHYHNCQQHF-UHFFFAOYSA-N 1 1 167.252 2.428 10 0 AEAEMO CCC[N@@H+](C)Cc1cc(C)co1 893922488 630069883 /nfs/dbraw/zinc/06/98/83/630069883.db2.gz FNLJQRBNYVMBPO-UHFFFAOYSA-N 1 1 167.252 2.430 10 0 AEAEMO Cc1ncoc1C[N@H+](C)[C@H](C)C(C)C 893930576 630069928 /nfs/dbraw/zinc/06/99/28/630069928.db2.gz DERLGYDCROCLGQ-SNVBAGLBSA-N 1 1 196.294 2.459 10 0 AEAEMO CCC[N@@H+](CC)Cc1[nH]nc(C)c1C 893864281 630069950 /nfs/dbraw/zinc/06/99/50/630069950.db2.gz WQAIYZFQMDLYBZ-UHFFFAOYSA-N 1 1 195.310 2.258 10 0 AEAEMO CC[N@@H+](Cc1[nH]nc(C)c1C)C(C)C 893921051 630070018 /nfs/dbraw/zinc/07/00/18/630070018.db2.gz GDKZIWOYYCQGKT-UHFFFAOYSA-N 1 1 195.310 2.257 10 0 AEAEMO Cc1ncoc1C[N@H+](C)CC(C)C 893922705 630070192 /nfs/dbraw/zinc/07/01/92/630070192.db2.gz FQUAZLLIKQTYDM-UHFFFAOYSA-N 1 1 182.267 2.071 10 0 AEAEMO CCC[N@@H+](Cc1ocnc1C)C1CC1 893939066 630070226 /nfs/dbraw/zinc/07/02/26/630070226.db2.gz GPHUTGMENYFFCK-UHFFFAOYSA-N 1 1 194.278 2.357 10 0 AEAEMO CCC[N@H+](C)Cc1nc(C(C)C)c[nH]1 893923539 630070340 /nfs/dbraw/zinc/07/03/40/630070340.db2.gz LZJGNICBNLQHJA-UHFFFAOYSA-N 1 1 195.310 2.375 10 0 AEAEMO CCC[N@@H+](C)Cc1nc(C(C)C)c[nH]1 893923539 630070347 /nfs/dbraw/zinc/07/03/47/630070347.db2.gz LZJGNICBNLQHJA-UHFFFAOYSA-N 1 1 195.310 2.375 10 0 AEAEMO Cc1ncoc1C[N@H+](C)[C@@H](C)C(C)C 893930575 630070483 /nfs/dbraw/zinc/07/04/83/630070483.db2.gz DERLGYDCROCLGQ-JTQLQIEISA-N 1 1 196.294 2.459 10 0 AEAEMO CC1(C)CC[N@H+]1Cc1ccoc1 306168942 630081389 /nfs/dbraw/zinc/08/13/89/630081389.db2.gz QWVWPJLVXQPGAS-UHFFFAOYSA-N 1 1 165.236 2.264 10 0 AEAEMO FC(F)[C@H]1CC[N@@H+](C/C=C/Cl)C1 306152808 630082051 /nfs/dbraw/zinc/08/20/51/630082051.db2.gz INQYLUHPHQNHIO-RMKMGNDCSA-N 1 1 195.640 2.326 10 0 AEAEMO FC(F)[C@@H]1CC[N@@H+](C/C=C/Cl)C1 306152806 630082143 /nfs/dbraw/zinc/08/21/43/630082143.db2.gz INQYLUHPHQNHIO-RCYFRSRISA-N 1 1 195.640 2.326 10 0 AEAEMO C[N@@H+](Cc1ccoc1)[C@H]1CCSC1 306154574 630082502 /nfs/dbraw/zinc/08/25/02/630082502.db2.gz JPYDPDBLCZAIEQ-JTQLQIEISA-N 1 1 197.303 2.217 10 0 AEAEMO CC(=O)CC[N@H+]1CCC(C)=C(C)C1 306211478 630085457 /nfs/dbraw/zinc/08/54/57/630085457.db2.gz PYWRGDIHZRPBEO-UHFFFAOYSA-N 1 1 181.279 2.008 10 0 AEAEMO CC(C)=CC[N@@H+]1CCOCC[C@H]1C 306208735 630085673 /nfs/dbraw/zinc/08/56/73/630085673.db2.gz MBPLMVWXHFVZJX-LLVKDONJSA-N 1 1 183.295 2.063 10 0 AEAEMO Cl/C=C/C[N@H+]1CC[C@@H](C2CC2)C1 306191805 630085744 /nfs/dbraw/zinc/08/57/44/630085744.db2.gz GLLDWZGNQZOJJT-XOTMTNNUSA-N 1 1 185.698 2.471 10 0 AEAEMO C[C@@H](N)[C@@H](C)[NH2+]C1CCCCCCC1 306200698 630086018 /nfs/dbraw/zinc/08/60/18/630086018.db2.gz KAUZGRNPCUHBCS-GHMZBOCLSA-N 1 1 198.354 2.425 10 0 AEAEMO CC(C)=CC[N@@H+]1CCOCC[C@@H]1C 306208736 630086213 /nfs/dbraw/zinc/08/62/13/630086213.db2.gz MBPLMVWXHFVZJX-NSHDSACASA-N 1 1 183.295 2.063 10 0 AEAEMO C[C@H]([NH2+]C1CCCCCCC1)[C@@H](C)N 306200699 630087097 /nfs/dbraw/zinc/08/70/97/630087097.db2.gz KAUZGRNPCUHBCS-MNOVXSKESA-N 1 1 198.354 2.425 10 0 AEAEMO Cl/C=C/C[N@H+]1CC[C@H](C2CC2)C1 306191804 630087582 /nfs/dbraw/zinc/08/75/82/630087582.db2.gz GLLDWZGNQZOJJT-OKEWEERVSA-N 1 1 185.698 2.471 10 0 AEAEMO CC1=CC[N@@H+]([C@@H](C)C2CC2)CC1 306257960 630088124 /nfs/dbraw/zinc/08/81/24/630088124.db2.gz ZEAZIGHUAFZTQQ-JTQLQIEISA-N 1 1 165.280 2.437 10 0 AEAEMO CC1=CC[N@@H+]([C@H](C)C2CC2)CC1 306257964 630088959 /nfs/dbraw/zinc/08/89/59/630088959.db2.gz ZEAZIGHUAFZTQQ-SNVBAGLBSA-N 1 1 165.280 2.437 10 0 AEAEMO CC1(C[N@@H+]2CC[C@](C)(O)C2)CCCC1 306254533 630089030 /nfs/dbraw/zinc/08/90/30/630089030.db2.gz PRSAWFYGIYKSTG-LBPRGKRZSA-N 1 1 197.322 2.023 10 0 AEAEMO CC1(C[N@@H+]2CC[C@@](C)(O)C2)CCCC1 306254532 630089586 /nfs/dbraw/zinc/08/95/86/630089586.db2.gz PRSAWFYGIYKSTG-GFCCVEGCSA-N 1 1 197.322 2.023 10 0 AEAEMO CC(=O)CC[N@@H+]1C[C@H](C)CC1(C)C 306249246 630089997 /nfs/dbraw/zinc/08/99/97/630089997.db2.gz ZZAXHYPNXFCOJQ-SECBINFHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC1(C)CC[N@H+]1C[C@@H]1CCC=CO1 306269427 630093585 /nfs/dbraw/zinc/09/35/85/630093585.db2.gz MLLITKHOAMSZMI-JTQLQIEISA-N 1 1 181.279 2.163 10 0 AEAEMO C[C@@H]1C[N@@H+](CCF)[C@H]2CCCC[C@@H]12 306331337 630095191 /nfs/dbraw/zinc/09/51/91/630095191.db2.gz CUOQDWSGFCCRDT-VWYCJHECSA-N 1 1 185.286 2.466 10 0 AEAEMO C[C@@H]1C[N@@H+](CCF)[C@@H]2CCCC[C@H]12 306331333 630095479 /nfs/dbraw/zinc/09/54/79/630095479.db2.gz CUOQDWSGFCCRDT-GMTAPVOTSA-N 1 1 185.286 2.466 10 0 AEAEMO CC(C)(O)C[N@H+]1CCC2(CCCC2)C1 306331984 630095974 /nfs/dbraw/zinc/09/59/74/630095974.db2.gz QHQORVXKZPGOLV-UHFFFAOYSA-N 1 1 197.322 2.023 10 0 AEAEMO FCC[N@H+]1CCC[C@H](C2CC2)C1 306303365 630095997 /nfs/dbraw/zinc/09/59/97/630095997.db2.gz CTDFTMJVZPEHEU-JTQLQIEISA-N 1 1 171.259 2.078 10 0 AEAEMO C[C@@H]1C[N@@H+](CCF)[C@@H]2CCCC[C@@H]12 306331336 630096114 /nfs/dbraw/zinc/09/61/14/630096114.db2.gz CUOQDWSGFCCRDT-OUAUKWLOSA-N 1 1 185.286 2.466 10 0 AEAEMO C[C@@H]1C[N@@H+](CCF)[C@H]2CCCC[C@H]12 306331335 630096736 /nfs/dbraw/zinc/09/67/36/630096736.db2.gz CUOQDWSGFCCRDT-MXWKQRLJSA-N 1 1 185.286 2.466 10 0 AEAEMO Cc1cnc(C[N@H+]2C[C@H](C)[C@H]2C)s1 306341700 630098459 /nfs/dbraw/zinc/09/84/59/630098459.db2.gz YFMLTTMTVVDLKW-IONNQARKSA-N 1 1 196.319 2.292 10 0 AEAEMO Cc1cnc(C[N@@H+]2C[C@H](C)[C@H]2C)s1 306341700 630098466 /nfs/dbraw/zinc/09/84/66/630098466.db2.gz YFMLTTMTVVDLKW-IONNQARKSA-N 1 1 196.319 2.292 10 0 AEAEMO Cc1cnc(C[N@H+]2C[C@H](C)[C@@H]2C)s1 306341699 630098552 /nfs/dbraw/zinc/09/85/52/630098552.db2.gz YFMLTTMTVVDLKW-CBAPKCEASA-N 1 1 196.319 2.292 10 0 AEAEMO Cc1cnc(C[N@@H+]2C[C@H](C)[C@@H]2C)s1 306341699 630098557 /nfs/dbraw/zinc/09/85/57/630098557.db2.gz YFMLTTMTVVDLKW-CBAPKCEASA-N 1 1 196.319 2.292 10 0 AEAEMO CC1(C)CC[N@@H+]1Cc1nccs1 306343745 630098899 /nfs/dbraw/zinc/09/88/99/630098899.db2.gz BZQQCHZSOFOIKF-UHFFFAOYSA-N 1 1 182.292 2.127 10 0 AEAEMO CC1(C)CC[N@H+]1Cc1nccs1 306343745 630098902 /nfs/dbraw/zinc/09/89/02/630098902.db2.gz BZQQCHZSOFOIKF-UHFFFAOYSA-N 1 1 182.292 2.127 10 0 AEAEMO Cc1cnc(C[N@H+]2C[C@@H](C)[C@@H]2C)s1 306341698 630099935 /nfs/dbraw/zinc/09/99/35/630099935.db2.gz YFMLTTMTVVDLKW-APPZFPTMSA-N 1 1 196.319 2.292 10 0 AEAEMO Cc1cnc(C[N@@H+]2C[C@@H](C)[C@@H]2C)s1 306341698 630099940 /nfs/dbraw/zinc/09/99/40/630099940.db2.gz YFMLTTMTVVDLKW-APPZFPTMSA-N 1 1 196.319 2.292 10 0 AEAEMO Cc1cnc(C[N@H+]2C[C@@H](C)[C@H]2C)s1 306341701 630100196 /nfs/dbraw/zinc/10/01/96/630100196.db2.gz YFMLTTMTVVDLKW-VXNVDRBHSA-N 1 1 196.319 2.292 10 0 AEAEMO Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H]2C)s1 306341701 630100200 /nfs/dbraw/zinc/10/02/00/630100200.db2.gz YFMLTTMTVVDLKW-VXNVDRBHSA-N 1 1 196.319 2.292 10 0 AEAEMO CC(C)CC[N@H+]1CC[C@H]2C[C@H]21 306388859 630102444 /nfs/dbraw/zinc/10/24/44/630102444.db2.gz WBKLDLVQZFRUDR-VHSXEESVSA-N 1 1 153.269 2.127 10 0 AEAEMO CC(C)CC[N@H+]1CC[C@@H]2C[C@@H]21 306388860 630103833 /nfs/dbraw/zinc/10/38/33/630103833.db2.gz WBKLDLVQZFRUDR-ZJUUUORDSA-N 1 1 153.269 2.127 10 0 AEAEMO CC[N@@H+](C)Cc1cc(C)oc1C 306428505 630107860 /nfs/dbraw/zinc/10/78/60/630107860.db2.gz MRGRDANLKSWLNY-UHFFFAOYSA-N 1 1 167.252 2.348 10 0 AEAEMO C[C@H]1C[N@@H+](C/C=C/Cl)CCS1 306422962 630107943 /nfs/dbraw/zinc/10/79/43/630107943.db2.gz HTIUXOKLUHELTB-SGJFDWMWSA-N 1 1 191.727 2.176 10 0 AEAEMO CC(C)(C)[C@H]1CCC[N@H+]1CCF 306447560 630109868 /nfs/dbraw/zinc/10/98/68/630109868.db2.gz FJKZMBWRFXHJIM-SECBINFHSA-N 1 1 173.275 2.466 10 0 AEAEMO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCF 306447774 630110737 /nfs/dbraw/zinc/11/07/37/630110737.db2.gz UWPNIKCXGQOJSQ-BQBZGAKWSA-N 1 1 199.191 2.229 10 0 AEAEMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCF 306447774 630110740 /nfs/dbraw/zinc/11/07/40/630110740.db2.gz UWPNIKCXGQOJSQ-BQBZGAKWSA-N 1 1 199.191 2.229 10 0 AEAEMO C[C@@H]1C[N@@H+]([C@H](C)C2CC2)CCS1 306450402 630110961 /nfs/dbraw/zinc/11/09/61/630110961.db2.gz PDYCUFCEYGTUIJ-RKDXNWHRSA-N 1 1 185.336 2.222 10 0 AEAEMO CC(C)(C)[C@@H]1CCC[N@H+]1CCF 306447561 630111032 /nfs/dbraw/zinc/11/10/32/630111032.db2.gz FJKZMBWRFXHJIM-VIFPVBQESA-N 1 1 173.275 2.466 10 0 AEAEMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CCF 306447775 630111448 /nfs/dbraw/zinc/11/14/48/630111448.db2.gz UWPNIKCXGQOJSQ-NKWVEPMBSA-N 1 1 199.191 2.229 10 0 AEAEMO C[C@@H]1C[N@@H+]([C@@H](C)C2CC2)C[C@@H]1C 306448985 630111385 /nfs/dbraw/zinc/11/13/85/630111385.db2.gz XOURWXSSKHFMMX-AEJSXWLSSA-N 1 1 167.296 2.373 10 0 AEAEMO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCF 306447775 630111443 /nfs/dbraw/zinc/11/14/43/630111443.db2.gz UWPNIKCXGQOJSQ-NKWVEPMBSA-N 1 1 199.191 2.229 10 0 AEAEMO C[C@H]1C[N@@H+]([C@@H](C)C2CC2)CCS1 306450401 630111500 /nfs/dbraw/zinc/11/15/00/630111500.db2.gz PDYCUFCEYGTUIJ-IUCAKERBSA-N 1 1 185.336 2.222 10 0 AEAEMO C[C@@H]1C[N@H+](C[Si](C)(C)C)C[C@@H]1C 306495906 630116991 /nfs/dbraw/zinc/11/69/91/630116991.db2.gz CODGIGVDBAJPRN-AOOOYVTPSA-N 1 1 185.387 2.452 10 0 AEAEMO C[C@@H]1CCC[N@H+]1Cc1ccoc1 306512199 630117880 /nfs/dbraw/zinc/11/78/80/630117880.db2.gz PBHPLXVNJYSDPB-SECBINFHSA-N 1 1 165.236 2.264 10 0 AEAEMO Cc1ncsc1C[N@H+]1CCC1(C)C 306518628 630118122 /nfs/dbraw/zinc/11/81/22/630118122.db2.gz BYTUBFFLRLUEPG-UHFFFAOYSA-N 1 1 196.319 2.436 10 0 AEAEMO C[C@H]1CCC[N@H+]1Cc1ccoc1 306512200 630118539 /nfs/dbraw/zinc/11/85/39/630118539.db2.gz PBHPLXVNJYSDPB-VIFPVBQESA-N 1 1 165.236 2.264 10 0 AEAEMO CC[C@H]1CC[N@H+]1C[Si](C)(C)C 306563401 630122498 /nfs/dbraw/zinc/12/24/98/630122498.db2.gz PHEBFIXMFSDZOY-VIFPVBQESA-N 1 1 171.360 2.348 10 0 AEAEMO CC[C@@H]1CC[N@H+]1C[Si](C)(C)C 306563398 630124024 /nfs/dbraw/zinc/12/40/24/630124024.db2.gz PHEBFIXMFSDZOY-SECBINFHSA-N 1 1 171.360 2.348 10 0 AEAEMO C[C@H]1CC[N@H+]([C@@H](C)C2CC2)C1 306608707 630125053 /nfs/dbraw/zinc/12/50/53/630125053.db2.gz WURRPNFARDOLMQ-IUCAKERBSA-N 1 1 153.269 2.127 10 0 AEAEMO C[C@@H]1CC[N@H+](C/C=C/Cl)C[C@@H]1F 306632789 630125756 /nfs/dbraw/zinc/12/57/56/630125756.db2.gz PVPACHGHNJQHRL-DTBGECHCSA-N 1 1 191.677 2.419 10 0 AEAEMO C[C@@H]1CC[N@@H+](C/C=C/Cl)C[C@@H]1F 306632789 630125760 /nfs/dbraw/zinc/12/57/60/630125760.db2.gz PVPACHGHNJQHRL-DTBGECHCSA-N 1 1 191.677 2.419 10 0 AEAEMO C[C@@H]1CC[N@H+](C/C=C/Cl)C[C@H]1F 306632790 630125942 /nfs/dbraw/zinc/12/59/42/630125942.db2.gz PVPACHGHNJQHRL-HBMQMAGWSA-N 1 1 191.677 2.419 10 0 AEAEMO C[C@@H]1CC[N@@H+](C/C=C/Cl)C[C@H]1F 306632790 630125945 /nfs/dbraw/zinc/12/59/45/630125945.db2.gz PVPACHGHNJQHRL-HBMQMAGWSA-N 1 1 191.677 2.419 10 0 AEAEMO C[C@H]1CC[N@H+]([C@H](C)C2CC2)C1 306608706 630126006 /nfs/dbraw/zinc/12/60/06/630126006.db2.gz WURRPNFARDOLMQ-DTWKUNHWSA-N 1 1 153.269 2.127 10 0 AEAEMO C[C@@H](C1CC1)[N@H+]1CC[C@@H](C)C1 306608705 630126551 /nfs/dbraw/zinc/12/65/51/630126551.db2.gz WURRPNFARDOLMQ-BDAKNGLRSA-N 1 1 153.269 2.127 10 0 AEAEMO C[C@@H]1CC[N@H+]([C@H](C)C2CC2)C1 306608708 630127019 /nfs/dbraw/zinc/12/70/19/630127019.db2.gz WURRPNFARDOLMQ-RKDXNWHRSA-N 1 1 153.269 2.127 10 0 AEAEMO c1cc(C[N@H+]2CCCSCC2)co1 306705581 630130881 /nfs/dbraw/zinc/13/08/81/630130881.db2.gz IKQSDSKVYTVGLI-UHFFFAOYSA-N 1 1 197.303 2.219 10 0 AEAEMO C[C@@H]1CSCC[N@H+]1Cc1ccoc1 306698532 630131463 /nfs/dbraw/zinc/13/14/63/630131463.db2.gz XNJBQJYKQQCJGG-SECBINFHSA-N 1 1 197.303 2.217 10 0 AEAEMO CC[C@@H]1CC[N@H+]1C/C=C/Cl 306951589 630137182 /nfs/dbraw/zinc/13/71/82/630137182.db2.gz GTAHDRZLDSHRSV-RYEJSQLPSA-N 1 1 159.660 2.223 10 0 AEAEMO CC1(C)CC[N@H+]1Cc1cncs1 306946381 630137804 /nfs/dbraw/zinc/13/78/04/630137804.db2.gz LGOHMJPWOGVUEJ-UHFFFAOYSA-N 1 1 182.292 2.127 10 0 AEAEMO CC[C@H]1CC[N@H+]1C/C=C/Cl 306951591 630138244 /nfs/dbraw/zinc/13/82/44/630138244.db2.gz GTAHDRZLDSHRSV-WGAJWPLOSA-N 1 1 159.660 2.223 10 0 AEAEMO CCCC[N@H+]1CCC1(C)C 306954634 630138959 /nfs/dbraw/zinc/13/89/59/630138959.db2.gz OOFNPAOOTHKSST-UHFFFAOYSA-N 1 1 141.258 2.271 10 0 AEAEMO Cc1cnc(C[N@@H+]2CC[C@@H]3C[C@@H]32)s1 307086429 630144442 /nfs/dbraw/zinc/14/44/42/630144442.db2.gz NHOKJHRHAQVOOY-BDAKNGLRSA-N 1 1 194.303 2.046 10 0 AEAEMO Cc1cnc(C[N@H+]2CC[C@@H]3C[C@@H]32)s1 307086429 630144450 /nfs/dbraw/zinc/14/44/50/630144450.db2.gz NHOKJHRHAQVOOY-BDAKNGLRSA-N 1 1 194.303 2.046 10 0 AEAEMO FCC[N@@H+]1CCC[C@@H]1c1ccco1 307147536 630147807 /nfs/dbraw/zinc/14/78/07/630147807.db2.gz OHEKKHZAWYEJRP-SECBINFHSA-N 1 1 183.226 2.386 10 0 AEAEMO FCC[N@H+]1CCC[C@@H]1c1ccco1 307147536 630147811 /nfs/dbraw/zinc/14/78/11/630147811.db2.gz OHEKKHZAWYEJRP-SECBINFHSA-N 1 1 183.226 2.386 10 0 AEAEMO FCC[N@@H+]1CCC[C@H]1c1ccco1 307147537 630148822 /nfs/dbraw/zinc/14/88/22/630148822.db2.gz OHEKKHZAWYEJRP-VIFPVBQESA-N 1 1 183.226 2.386 10 0 AEAEMO FCC[N@H+]1CCC[C@H]1c1ccco1 307147537 630148828 /nfs/dbraw/zinc/14/88/28/630148828.db2.gz OHEKKHZAWYEJRP-VIFPVBQESA-N 1 1 183.226 2.386 10 0 AEAEMO CC(C)CC[N@H+]1CCOCC[C@H]1C 307216132 630153336 /nfs/dbraw/zinc/15/33/36/630153336.db2.gz LRIOVASJPSTRSF-LLVKDONJSA-N 1 1 185.311 2.143 10 0 AEAEMO FCC[N@H+]1CCC[C@H]1c1ccc[nH]1 307184202 630153587 /nfs/dbraw/zinc/15/35/87/630153587.db2.gz BAHUEEXAEYRNKX-JTQLQIEISA-N 1 1 182.242 2.121 10 0 AEAEMO CC(C)CC[N@H+]1CCOCC[C@@H]1C 307216135 630153805 /nfs/dbraw/zinc/15/38/05/630153805.db2.gz LRIOVASJPSTRSF-NSHDSACASA-N 1 1 185.311 2.143 10 0 AEAEMO FCC[N@H+]1CCC[C@@H]1c1ccc[nH]1 307184203 630154698 /nfs/dbraw/zinc/15/46/98/630154698.db2.gz BAHUEEXAEYRNKX-SNVBAGLBSA-N 1 1 182.242 2.121 10 0 AEAEMO C[C@@H]1C[N@@H+](C[Si](C)(C)C)[C@@H]1C 307233518 630155923 /nfs/dbraw/zinc/15/59/23/630155923.db2.gz DXAJWVXTFTYHHB-RKDXNWHRSA-N 1 1 171.360 2.204 10 0 AEAEMO C[C@H]1C[N@@H+](C[Si](C)(C)C)[C@@H]1C 307233512 630155964 /nfs/dbraw/zinc/15/59/64/630155964.db2.gz DXAJWVXTFTYHHB-DTWKUNHWSA-N 1 1 171.360 2.204 10 0 AEAEMO C[C@H]1C[N@@H+](C[Si](C)(C)C)[C@H]1C 307233516 630156288 /nfs/dbraw/zinc/15/62/88/630156288.db2.gz DXAJWVXTFTYHHB-IUCAKERBSA-N 1 1 171.360 2.204 10 0 AEAEMO C[C@H]1[C@H](C)C[N@H+]1C[Si](C)(C)C 307233511 630156383 /nfs/dbraw/zinc/15/63/83/630156383.db2.gz DXAJWVXTFTYHHB-BDAKNGLRSA-N 1 1 171.360 2.204 10 0 AEAEMO CSC1(C[N@H+]2CCC2(C)C)CC1 307374135 630164324 /nfs/dbraw/zinc/16/43/24/630164324.db2.gz SYVBGKDDCCDNCV-UHFFFAOYSA-N 1 1 185.336 2.366 10 0 AEAEMO C[C@H]1CC[C@@H](C)[N@@H+](CCF)C1 307482608 630167051 /nfs/dbraw/zinc/16/70/51/630167051.db2.gz ZBTSARFHJZXEAS-DTWKUNHWSA-N 1 1 159.248 2.076 10 0 AEAEMO CC1(C)CC[N@H+]1C[C@@H]1CCSC1 307414764 630168490 /nfs/dbraw/zinc/16/84/90/630168490.db2.gz JJCSXRRAPDZMJG-VIFPVBQESA-N 1 1 185.336 2.224 10 0 AEAEMO C[C@H]1CC[C@H](C)[N@@H+](CCF)C1 307482609 630168967 /nfs/dbraw/zinc/16/89/67/630168967.db2.gz ZBTSARFHJZXEAS-IUCAKERBSA-N 1 1 159.248 2.076 10 0 AEAEMO C[C@@H]1CC[C@@H](C)[N@@H+](CCF)C1 307482610 630169153 /nfs/dbraw/zinc/16/91/53/630169153.db2.gz ZBTSARFHJZXEAS-RKDXNWHRSA-N 1 1 159.248 2.076 10 0 AEAEMO C[C@H]1CC[C@@H](C)C[N@@H+]1CCF 307482607 630169363 /nfs/dbraw/zinc/16/93/63/630169363.db2.gz ZBTSARFHJZXEAS-BDAKNGLRSA-N 1 1 159.248 2.076 10 0 AEAEMO CC1(C)CC[N@H+]1C[C@H]1CCSC1 307414760 630169601 /nfs/dbraw/zinc/16/96/01/630169601.db2.gz JJCSXRRAPDZMJG-SECBINFHSA-N 1 1 185.336 2.224 10 0 AEAEMO C[C@H]1CC[N@@H+](CCF)CC12CCC2 307581127 630171054 /nfs/dbraw/zinc/17/10/54/630171054.db2.gz BWEWJOFNDDUARX-JTQLQIEISA-N 1 1 185.286 2.468 10 0 AEAEMO CC(C)(C)CC[N@H+]1C[C@H](N)C(C)(C)C1 307547855 630171951 /nfs/dbraw/zinc/17/19/51/630171951.db2.gz NXPIUYFIRJLNGE-JTQLQIEISA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)(C)CCN1C[C@H]([NH3+])C(C)(C)C1 307547855 630171954 /nfs/dbraw/zinc/17/19/54/630171954.db2.gz NXPIUYFIRJLNGE-JTQLQIEISA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)(C)CC[N@H+]1C[C@@H](N)C(C)(C)C1 307547857 630172110 /nfs/dbraw/zinc/17/21/10/630172110.db2.gz NXPIUYFIRJLNGE-SNVBAGLBSA-N 1 1 198.354 2.092 10 0 AEAEMO CC(C)(C)CCN1C[C@@H]([NH3+])C(C)(C)C1 307547857 630172113 /nfs/dbraw/zinc/17/21/13/630172113.db2.gz NXPIUYFIRJLNGE-SNVBAGLBSA-N 1 1 198.354 2.092 10 0 AEAEMO C[C@@H]1CC[N@@H+](CCF)CC12CCC2 307581128 630172788 /nfs/dbraw/zinc/17/27/88/630172788.db2.gz BWEWJOFNDDUARX-SNVBAGLBSA-N 1 1 185.286 2.468 10 0 AEAEMO C[C@H]1CC[N@@H+](Cc2ccoc2)C1 307706630 630186031 /nfs/dbraw/zinc/18/60/31/630186031.db2.gz GBHOFISAOZQTSW-VIFPVBQESA-N 1 1 165.236 2.121 10 0 AEAEMO C[N@@H+](CC1CC1)C[Si](C)(C)C 307697188 630183900 /nfs/dbraw/zinc/18/39/00/630183900.db2.gz FXBKUPVGBDOFLL-UHFFFAOYSA-N 1 1 171.360 2.206 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1C[Si](C)(C)C 307696040 630183981 /nfs/dbraw/zinc/18/39/81/630183981.db2.gz JWUXBHRAZVPCLV-DTORHVGOSA-N 1 1 171.360 2.347 10 0 AEAEMO C[N@@H+](CCF)C1(C)CCCC1 307709118 630185434 /nfs/dbraw/zinc/18/54/34/630185434.db2.gz LFMQMRMBIAOSPS-UHFFFAOYSA-N 1 1 159.248 2.220 10 0 AEAEMO C[C@@H]1CC[N@@H+](Cc2ccoc2)C1 307706629 630185875 /nfs/dbraw/zinc/18/58/75/630185875.db2.gz GBHOFISAOZQTSW-SECBINFHSA-N 1 1 165.236 2.121 10 0 AEAEMO CCSCn1cc[nH+]c1CC 307727961 630186993 /nfs/dbraw/zinc/18/69/93/630186993.db2.gz GJOIBFCHEUZOOH-UHFFFAOYSA-N 1 1 170.281 2.156 10 0 AEAEMO C[N@H+](CC(F)F)C[Si](C)(C)C 307727469 630187713 /nfs/dbraw/zinc/18/77/13/630187713.db2.gz FOARQIAZPCGBNZ-UHFFFAOYSA-N 1 1 181.302 2.061 10 0 AEAEMO C[N@@H+](CC(F)F)C[Si](C)(C)C 307727469 630187717 /nfs/dbraw/zinc/18/77/17/630187717.db2.gz FOARQIAZPCGBNZ-UHFFFAOYSA-N 1 1 181.302 2.061 10 0 AEAEMO Cn1ccc(C[N@H+]2CCC2(C)C)c1 307726786 630188342 /nfs/dbraw/zinc/18/83/42/630188342.db2.gz DJGZWWBSVWWCEE-UHFFFAOYSA-N 1 1 178.279 2.009 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CCOCC[C@H]1C 307721048 630188904 /nfs/dbraw/zinc/18/89/04/630188904.db2.gz PUJROMWSAVAEFM-GHMZBOCLSA-N 1 1 185.311 2.143 10 0 AEAEMO CC1(C)CC[N@H+]1Cc1ccccn1 307746842 630191020 /nfs/dbraw/zinc/19/10/20/630191020.db2.gz WSLYBYHZQRTJQF-UHFFFAOYSA-N 1 1 176.263 2.066 10 0 AEAEMO FCC[N@@H+]1CCC[C@@H](C(F)(F)F)C1 307750420 630191274 /nfs/dbraw/zinc/19/12/74/630191274.db2.gz JYBMCNALDHNFAB-SSDOTTSWSA-N 1 1 199.191 2.230 10 0 AEAEMO FCC[N@H+]1CCC[C@@H](C(F)(F)F)C1 307750420 630191282 /nfs/dbraw/zinc/19/12/82/630191282.db2.gz JYBMCNALDHNFAB-SSDOTTSWSA-N 1 1 199.191 2.230 10 0 AEAEMO FCC[N@@H+]1CCC[C@H](C(F)(F)F)C1 307750421 630192533 /nfs/dbraw/zinc/19/25/33/630192533.db2.gz JYBMCNALDHNFAB-ZETCQYMHSA-N 1 1 199.191 2.230 10 0 AEAEMO FCC[N@H+]1CCC[C@H](C(F)(F)F)C1 307750421 630192535 /nfs/dbraw/zinc/19/25/35/630192535.db2.gz JYBMCNALDHNFAB-ZETCQYMHSA-N 1 1 199.191 2.230 10 0 AEAEMO Cc1cc(N2[C@@H](C)C[C@@H]2C)nc(C)[nH+]1 334880768 630203472 /nfs/dbraw/zinc/20/34/72/630203472.db2.gz XLZIBVXPEADQKD-IUCAKERBSA-N 1 1 191.278 2.081 10 0 AEAEMO Cc1cc(N2[C@@H](C)C[C@H]2C)nc(C)[nH+]1 334880757 630203821 /nfs/dbraw/zinc/20/38/21/630203821.db2.gz XLZIBVXPEADQKD-DTORHVGOSA-N 1 1 191.278 2.081 10 0 AEAEMO Cc1coc(C[N@@H+](C)CCCF)c1 895896114 630224556 /nfs/dbraw/zinc/22/45/56/630224556.db2.gz MUJGHPXRADXVGJ-UHFFFAOYSA-N 1 1 185.242 2.379 10 0 AEAEMO CC(C)CCCC[N@H+]1CC[C@@H](CO)C1 147795565 630232283 /nfs/dbraw/zinc/23/22/83/630232283.db2.gz XEHCBIFYCNEUMN-GFCCVEGCSA-N 1 1 199.338 2.127 10 0 AEAEMO CC(C)CCCC[N@H+]1CC[C@H](CO)C1 147795353 630232435 /nfs/dbraw/zinc/23/24/35/630232435.db2.gz XEHCBIFYCNEUMN-LBPRGKRZSA-N 1 1 199.338 2.127 10 0 AEAEMO CCCC(N)=[NH+]OCc1ccccc1 729849671 630386655 /nfs/dbraw/zinc/38/66/55/630386655.db2.gz NIYAIYSURWMVTP-UHFFFAOYSA-N 1 1 192.262 2.485 10 0 AEAEMO CC[C@@](C)(C[NH2+][C@@H](C)C(F)F)OC 322752970 630455813 /nfs/dbraw/zinc/45/58/13/630455813.db2.gz DQAZDMHLLBXJRN-CBAPKCEASA-N 1 1 195.253 2.045 10 0 AEAEMO CC[C@](C)(C[NH2+][C@@H](C)C(F)F)OC 322752971 630456300 /nfs/dbraw/zinc/45/63/00/630456300.db2.gz DQAZDMHLLBXJRN-IONNQARKSA-N 1 1 195.253 2.045 10 0 AEAEMO CC[C@](C)(C[NH2+][C@H](C)C(F)F)OC 322752972 630456465 /nfs/dbraw/zinc/45/64/65/630456465.db2.gz DQAZDMHLLBXJRN-VXNVDRBHSA-N 1 1 195.253 2.045 10 0 AEAEMO CC[N@@H+](C[C@@H]1CCCO1)[C@H](C)C1CC1 929418583 630747503 /nfs/dbraw/zinc/74/75/03/630747503.db2.gz RVYICYFZMCAHCG-PWSUYJOCSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[N@@H+](C[C@H]1CCCO1)[C@H](C)C1CC1 929418584 630747766 /nfs/dbraw/zinc/74/77/66/630747766.db2.gz RVYICYFZMCAHCG-ZYHUDNBSSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[N@@H+](C[C@H]1CCCO1)[C@@H](C)C1CC1 929418581 630748031 /nfs/dbraw/zinc/74/80/31/630748031.db2.gz RVYICYFZMCAHCG-CMPLNLGQSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C)C1CC1 929418582 630748411 /nfs/dbraw/zinc/74/84/11/630748411.db2.gz RVYICYFZMCAHCG-JQWIXIFHSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H]1CC[N@@H+](CCc2ccns2)C1 929462575 630751349 /nfs/dbraw/zinc/75/13/49/630751349.db2.gz UWBRPAGPSJAARE-SECBINFHSA-N 1 1 196.319 2.027 10 0 AEAEMO C[C@H]1CC[N@@H+](CCc2ccns2)C1 929462576 630751543 /nfs/dbraw/zinc/75/15/43/630751543.db2.gz UWBRPAGPSJAARE-VIFPVBQESA-N 1 1 196.319 2.027 10 0 AEAEMO COC/C(C)=C/C[N@H+]1CCC(C)(C)C1 929747716 630754750 /nfs/dbraw/zinc/75/47/50/630754750.db2.gz GEXFQDBDRUFGRG-VZUCSPMQSA-N 1 1 197.322 2.311 10 0 AEAEMO COC/C(C)=C\C[N@H+]1CCC(C)(C)C1 929747875 630756248 /nfs/dbraw/zinc/75/62/48/630756248.db2.gz GEXFQDBDRUFGRG-WZUFQYTHSA-N 1 1 197.322 2.311 10 0 AEAEMO COC/C(C)=C\C[N@H+]1CC[C@H](C)[C@H]1C 929785149 630759817 /nfs/dbraw/zinc/75/98/17/630759817.db2.gz MXWYDKHGCJJACN-JUYDSFNJSA-N 1 1 197.322 2.309 10 0 AEAEMO COC/C(C)=C\C[N@H+]1CC[C@H](C)[C@@H]1C 929785150 630760063 /nfs/dbraw/zinc/76/00/63/630760063.db2.gz MXWYDKHGCJJACN-OUONCDGISA-N 1 1 197.322 2.309 10 0 AEAEMO COC/C(C)=C/C[N@H+]1CC[C@H](C)[C@H]1C 929785151 630761101 /nfs/dbraw/zinc/76/11/01/630761101.db2.gz MXWYDKHGCJJACN-RGEGJOEESA-N 1 1 197.322 2.309 10 0 AEAEMO COC/C(C)=C/C[N@H+]1CC[C@H](C)[C@@H]1C 929785148 630761257 /nfs/dbraw/zinc/76/12/57/630761257.db2.gz MXWYDKHGCJJACN-AMYKANGRSA-N 1 1 197.322 2.309 10 0 AEAEMO CC[C@@H]1CC[N@@H+](C/C=C(/C)COC)C1 929821097 630771565 /nfs/dbraw/zinc/77/15/65/630771565.db2.gz IYSILOCZRKVASM-DKRCXCIFSA-N 1 1 197.322 2.311 10 0 AEAEMO CC[C@H]1CC[N@@H+](C/C=C(\C)COC)C1 929821099 630771574 /nfs/dbraw/zinc/77/15/74/630771574.db2.gz IYSILOCZRKVASM-JVOXIWMLSA-N 1 1 197.322 2.311 10 0 AEAEMO CC[C@@H]1CC[N@@H+](C/C=C(\C)COC)C1 929821100 630771643 /nfs/dbraw/zinc/77/16/43/630771643.db2.gz IYSILOCZRKVASM-JXDHDYMSSA-N 1 1 197.322 2.311 10 0 AEAEMO CC[C@H]1CC[N@@H+](C/C=C(/C)COC)C1 929821102 630771669 /nfs/dbraw/zinc/77/16/69/630771669.db2.gz IYSILOCZRKVASM-QJGQKNTRSA-N 1 1 197.322 2.311 10 0 AEAEMO C[N@H+]1CCC[C@H]1CSC1CCC1 917783544 630800524 /nfs/dbraw/zinc/80/05/24/630800524.db2.gz GKNPSOOLOOUZIZ-VIFPVBQESA-N 1 1 185.336 2.366 10 0 AEAEMO C[N@H+]1CCC[C@@H]1CSC1CCC1 917783543 630800854 /nfs/dbraw/zinc/80/08/54/630800854.db2.gz GKNPSOOLOOUZIZ-SECBINFHSA-N 1 1 185.336 2.366 10 0 AEAEMO CN(C)CCC[NH2+]CC1(C)CCCC1 163604449 630804740 /nfs/dbraw/zinc/80/47/40/630804740.db2.gz BCNMOTQQAVRFPS-UHFFFAOYSA-N 1 1 198.354 2.108 10 0 AEAEMO C[C@H](O)C[C@H]1CCC[N@H+]1[C@H](C)C1CC1 930083061 630808905 /nfs/dbraw/zinc/80/89/05/630808905.db2.gz AIWLMKKILISHRL-HOSYDEDBSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@H](O)C[C@H]1CCC[N@H+]1[C@@H](C)C1CC1 930083062 630809547 /nfs/dbraw/zinc/80/95/47/630809547.db2.gz AIWLMKKILISHRL-JBLDHEPKSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@H](O)C[C@@H]1CCC[N@H+]1[C@H](C)C1CC1 930083064 630810896 /nfs/dbraw/zinc/81/08/96/630810896.db2.gz AIWLMKKILISHRL-UMNHJUIQSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@H](O)C[C@@H]1CCC[N@H+]1[C@@H](C)C1CC1 930083063 630811007 /nfs/dbraw/zinc/81/10/07/630811007.db2.gz AIWLMKKILISHRL-NHCYSSNCSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@@H](C1CC1)[N@H+]1CCCSCC1 930118073 630814598 /nfs/dbraw/zinc/81/45/98/630814598.db2.gz BNEGGHGLRKUITP-VIFPVBQESA-N 1 1 185.336 2.224 10 0 AEAEMO C[C@H](C1CC1)[N@H+]1CCCSCC1 930118072 630815686 /nfs/dbraw/zinc/81/56/86/630815686.db2.gz BNEGGHGLRKUITP-SECBINFHSA-N 1 1 185.336 2.224 10 0 AEAEMO COC/C(C)=C\C[N@@H+](C)[C@H](C)C1CC1 929203059 630820485 /nfs/dbraw/zinc/82/04/85/630820485.db2.gz IUXCKZZRNKNALS-ZJRUKIMVSA-N 1 1 197.322 2.309 10 0 AEAEMO COC/C(C)=C/C[N@@H+](C)[C@@H](C)C1CC1 929203057 630822028 /nfs/dbraw/zinc/82/20/28/630822028.db2.gz IUXCKZZRNKNALS-HUYFXPKMSA-N 1 1 197.322 2.309 10 0 AEAEMO COC/C(C)=C/C[N@@H+](C)[C@H](C)C1CC1 929203058 630822523 /nfs/dbraw/zinc/82/25/23/630822523.db2.gz IUXCKZZRNKNALS-PFEDMVJOSA-N 1 1 197.322 2.309 10 0 AEAEMO COC/C(C)=C\C[N@@H+](C)[C@@H](C)C1CC1 929203056 630822673 /nfs/dbraw/zinc/82/26/73/630822673.db2.gz IUXCKZZRNKNALS-BRNRAETOSA-N 1 1 197.322 2.309 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCC[C@@H](C(C)=O)C1 233276447 630824552 /nfs/dbraw/zinc/82/45/52/630824552.db2.gz MPBDKEHVEDXNCX-ZYHUDNBSSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCC[C@@H](C(C)=O)C1 233334903 630826896 /nfs/dbraw/zinc/82/68/96/630826896.db2.gz MPBDKEHVEDXNCX-CMPLNLGQSA-N 1 1 197.322 2.476 10 0 AEAEMO CCC(C)(CC)[NH2+]Cc1c[nH]cn1 164093814 630832974 /nfs/dbraw/zinc/83/29/74/630832974.db2.gz LOSOCRKJSNSVNV-UHFFFAOYSA-N 1 1 181.283 2.078 10 0 AEAEMO CC(C)c1cnc(C[NH+]2CCCC2)o1 733304817 630839834 /nfs/dbraw/zinc/83/98/34/630839834.db2.gz UWVBJMRZLMAPDC-UHFFFAOYSA-N 1 1 194.278 2.394 10 0 AEAEMO CC[C@@H](C)c1noc(C[NH2+]C(C)C)n1 57340849 630844907 /nfs/dbraw/zinc/84/49/07/630844907.db2.gz PQOMQWYTSHYWTA-MRVPVSSYSA-N 1 1 197.282 2.081 10 0 AEAEMO CC[N@@H+](C)CCN(C)c1ccccc1 594011283 630851703 /nfs/dbraw/zinc/85/17/03/630851703.db2.gz AUSXZISVFAEURZ-UHFFFAOYSA-N 1 1 192.306 2.075 10 0 AEAEMO COC/C(C)=C\C[N@H+]1CCCC[C@@H]1C 929219151 630854925 /nfs/dbraw/zinc/85/49/25/630854925.db2.gz WSSPCVNYUWVCOO-RDQDRAATSA-N 1 1 197.322 2.454 10 0 AEAEMO COC/C(C)=C/C[N@H+]1CCCC[C@H]1C 929219167 630855102 /nfs/dbraw/zinc/85/51/02/630855102.db2.gz WSSPCVNYUWVCOO-YTRUQHMWSA-N 1 1 197.322 2.454 10 0 AEAEMO C[C@H]1CCC[N@H+]1CC1(O)CCCCC1 83585926 630855354 /nfs/dbraw/zinc/85/53/54/630855354.db2.gz BIPHCSQOSXMRIE-NSHDSACASA-N 1 1 197.322 2.166 10 0 AEAEMO C[C@@H]1CCC[N@H+]1CC1(O)CCCCC1 83585924 630855425 /nfs/dbraw/zinc/85/54/25/630855425.db2.gz BIPHCSQOSXMRIE-LLVKDONJSA-N 1 1 197.322 2.166 10 0 AEAEMO COC/C(C)=C/C[N@H+]1CCCC[C@@H]1C 929219165 630855617 /nfs/dbraw/zinc/85/56/17/630855617.db2.gz WSSPCVNYUWVCOO-VNKGSWCUSA-N 1 1 197.322 2.454 10 0 AEAEMO COC/C(C)=C\C[N@H+]1CCCC[C@H]1C 929219159 630855825 /nfs/dbraw/zinc/85/58/25/630855825.db2.gz WSSPCVNYUWVCOO-SEVUFMINSA-N 1 1 197.322 2.454 10 0 AEAEMO CC(=O)CC[N@H+]1C[C@H](C)C[C@H](C)[C@H]1C 229456126 630866556 /nfs/dbraw/zinc/86/65/56/630866556.db2.gz HUQUPSWSPWNEIV-JFGNBEQYSA-N 1 1 197.322 2.332 10 0 AEAEMO CC[C@@H]1C[C@H]1C[N@@H+](C)C[C@H]1CCCO1 929286569 630868837 /nfs/dbraw/zinc/86/88/37/630868837.db2.gz DBOBVVAOCNEVRQ-GRYCIOLGSA-N 1 1 197.322 2.143 10 0 AEAEMO C[N@@H+](CCCc1cccnc1)C1CC1 929273163 630869419 /nfs/dbraw/zinc/86/94/19/630869419.db2.gz AAIRAOOHBCHNSF-UHFFFAOYSA-N 1 1 190.290 2.108 10 0 AEAEMO CC[C@@H]1C[C@H]1C[N@@H+](C)C[C@@H]1CCCO1 929286576 630870075 /nfs/dbraw/zinc/87/00/75/630870075.db2.gz DBOBVVAOCNEVRQ-WOPDTQHZSA-N 1 1 197.322 2.143 10 0 AEAEMO CC1CC(C[N@@H+](C)C[C@H]2CCCO2)C1 929288003 630871970 /nfs/dbraw/zinc/87/19/70/630871970.db2.gz NUGZLBRLRBDFQW-HTAVTVPLSA-N 1 1 197.322 2.143 10 0 AEAEMO CC1CC(C[N@@H+](C)C[C@@H]2CCCO2)C1 929288004 630872356 /nfs/dbraw/zinc/87/23/56/630872356.db2.gz NUGZLBRLRBDFQW-MCIGGMRASA-N 1 1 197.322 2.143 10 0 AEAEMO CC(C)(/C=C\Cl)[NH2+]Cc1ncc[nH]1 922649094 630873625 /nfs/dbraw/zinc/87/36/25/630873625.db2.gz RZGOZCMNGWIGNS-ARJAWSKDSA-N 1 1 199.685 2.030 10 0 AEAEMO CC(C)(/C=C\Cl)[NH2+]Cc1cc[nH]n1 922648258 630873754 /nfs/dbraw/zinc/87/37/54/630873754.db2.gz GKSUXWIYDUMAOC-PLNGDYQASA-N 1 1 199.685 2.030 10 0 AEAEMO COC[C@@H](C[N@@H+](C)CC1CC1)C(C)C 929290401 630874765 /nfs/dbraw/zinc/87/47/65/630874765.db2.gz RNNPIGUGRZGPFA-GFCCVEGCSA-N 1 1 199.338 2.247 10 0 AEAEMO CC(C)(/C=C/Cl)[NH2+]Cc1cc[nH]n1 922648259 630875026 /nfs/dbraw/zinc/87/50/26/630875026.db2.gz GKSUXWIYDUMAOC-SNAWJCMRSA-N 1 1 199.685 2.030 10 0 AEAEMO CC(C)(/C=C/Cl)[NH2+]Cc1ncc[nH]1 922649095 630875187 /nfs/dbraw/zinc/87/51/87/630875187.db2.gz RZGOZCMNGWIGNS-ONEGZZNKSA-N 1 1 199.685 2.030 10 0 AEAEMO COC[C@H](C[N@@H+](C)CC1CC1)C(C)C 929290402 630875381 /nfs/dbraw/zinc/87/53/81/630875381.db2.gz RNNPIGUGRZGPFA-LBPRGKRZSA-N 1 1 199.338 2.247 10 0 AEAEMO CC[N@@H+](CCC(C)=O)CC1CCC1 230324108 630877671 /nfs/dbraw/zinc/87/76/71/630877671.db2.gz DDFGQBZHIHWOFH-UHFFFAOYSA-N 1 1 183.295 2.088 10 0 AEAEMO CC[C@@](C)(C[NH2+][C@H](C)C(F)F)OC 322752969 630903028 /nfs/dbraw/zinc/90/30/28/630903028.db2.gz DQAZDMHLLBXJRN-APPZFPTMSA-N 1 1 195.253 2.045 10 0 AEAEMO Cc1ccncc1C[N@H+]1CCC1(C)C 749335274 630907315 /nfs/dbraw/zinc/90/73/15/630907315.db2.gz IYQGFOVGSHAARX-UHFFFAOYSA-N 1 1 190.290 2.374 10 0 AEAEMO Cc1ccc(C[N@H+]2CCC2(C)C)nc1 749336122 630907498 /nfs/dbraw/zinc/90/74/98/630907498.db2.gz OWYAQQOYWJWQMG-UHFFFAOYSA-N 1 1 190.290 2.374 10 0 AEAEMO C[C@H]1C[C@H](C)[NH+]1Cc1ccc(F)nc1 793221540 630923984 /nfs/dbraw/zinc/92/39/84/630923984.db2.gz WWWTYYOTVYADKL-IUCAKERBSA-N 1 1 194.253 2.203 10 0 AEAEMO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc(F)nc1 793221543 630924697 /nfs/dbraw/zinc/92/46/97/630924697.db2.gz WWWTYYOTVYADKL-RKDXNWHRSA-N 1 1 194.253 2.203 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@@H+]1Cc1ccc(F)nc1 793221538 630926589 /nfs/dbraw/zinc/92/65/89/630926589.db2.gz WWWTYYOTVYADKL-DTORHVGOSA-N 1 1 194.253 2.203 10 0 AEAEMO C[C@H]1C[C@@H](C)[N@H+]1Cc1ccc(F)nc1 793221538 630926592 /nfs/dbraw/zinc/92/65/92/630926592.db2.gz WWWTYYOTVYADKL-DTORHVGOSA-N 1 1 194.253 2.203 10 0 AEAEMO CC(C)CC(=O)CC[N@H+]1CC[C@H](C)C1 827845917 630943744 /nfs/dbraw/zinc/94/37/44/630943744.db2.gz YVTNSEOTAVGDPB-NSHDSACASA-N 1 1 197.322 2.334 10 0 AEAEMO CCC[N@@H+](C)CCC(=O)CC(C)C 827832958 630943880 /nfs/dbraw/zinc/94/38/80/630943880.db2.gz PMLKDTNQVYNXHX-UHFFFAOYSA-N 1 1 185.311 2.334 10 0 AEAEMO CC(C)CC(=O)CC[N@H+]1CC[C@@H](C)C1 827845916 630943936 /nfs/dbraw/zinc/94/39/36/630943936.db2.gz YVTNSEOTAVGDPB-LLVKDONJSA-N 1 1 197.322 2.334 10 0 AEAEMO CC(=O)CC[N@H+]1CC[C@@H](C(C)(C)C)C1 108308693 630960369 /nfs/dbraw/zinc/96/03/69/630960369.db2.gz NJALZHUEJSNJHS-LLVKDONJSA-N 1 1 197.322 2.334 10 0 AEAEMO CC(=O)CC[N@H+]1CC[C@H](C(C)(C)C)C1 108308690 630961028 /nfs/dbraw/zinc/96/10/28/630961028.db2.gz NJALZHUEJSNJHS-NSHDSACASA-N 1 1 197.322 2.334 10 0 AEAEMO CC(=O)CC[N@H+]1CCC[C@H]1C(C)(C)C 108308703 630961379 /nfs/dbraw/zinc/96/13/79/630961379.db2.gz UXGFLFZVZPBRRJ-NSHDSACASA-N 1 1 197.322 2.476 10 0 AEAEMO CC(=O)CC[N@H+]1CCC[C@@H]1C(C)(C)C 108308701 630961471 /nfs/dbraw/zinc/96/14/71/630961471.db2.gz UXGFLFZVZPBRRJ-LLVKDONJSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(=O)CC[N@@H+]1CCCC[C@@H]1C(C)C 108308698 630961924 /nfs/dbraw/zinc/96/19/24/630961924.db2.gz ZRWGLCZXGVTHOM-GFCCVEGCSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(=O)CC[N@@H+]1CCCC[C@H]1C(C)C 108308696 630961971 /nfs/dbraw/zinc/96/19/71/630961971.db2.gz ZRWGLCZXGVTHOM-LBPRGKRZSA-N 1 1 197.322 2.476 10 0 AEAEMO C=C/C=C/CC[N@H+](CC)C[C@@H](C)OC 878637547 631010778 /nfs/dbraw/zinc/01/07/78/631010778.db2.gz HCBOSQWHGTVDBY-ABZNLYFFSA-N 1 1 197.322 2.476 10 0 AEAEMO C=C/C=C/CC[N@H+](CC)C[C@H](C)OC 878637548 631010900 /nfs/dbraw/zinc/01/09/00/631010900.db2.gz HCBOSQWHGTVDBY-GUOLPTJISA-N 1 1 197.322 2.476 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+]1C[C@H]2CSC[C@H]2C1 886571800 631018331 /nfs/dbraw/zinc/01/83/31/631018331.db2.gz JCPKCTGYRTZGII-MXWKQRLJSA-N 1 1 199.363 2.326 10 0 AEAEMO C1CC(C[N@@H+]2C[C@H]3CSC[C@H]3C2)C1 886559807 631018593 /nfs/dbraw/zinc/01/85/93/631018593.db2.gz FHORFLPEJQTEEV-PHIMTYICSA-N 1 1 197.347 2.081 10 0 AEAEMO C1CCC([N@@H+]2C[C@H]3CSC[C@H]3C2)C1 886568326 631019477 /nfs/dbraw/zinc/01/94/77/631019477.db2.gz HDCBSIAHKYNMDL-AOOOYVTPSA-N 1 1 197.347 2.224 10 0 AEAEMO C1CC1CC[N@@H+]1C[C@H]2CSC[C@H]2C1 886559891 631019517 /nfs/dbraw/zinc/01/95/17/631019517.db2.gz HXSMGQRCTGRDNI-PHIMTYICSA-N 1 1 197.347 2.081 10 0 AEAEMO CC(C)[C@H](C)[N@@H+]1C[C@H]2CSC[C@H]2C1 886571799 631020299 /nfs/dbraw/zinc/02/02/99/631020299.db2.gz JCPKCTGYRTZGII-GARJFASQSA-N 1 1 199.363 2.326 10 0 AEAEMO C[C@@H]([NH3+])c1nc(CCC(C)(C)C)no1 300853373 631024858 /nfs/dbraw/zinc/02/48/58/631024858.db2.gz LEEVHVCSAKPVPU-SSDOTTSWSA-N 1 1 197.282 2.068 10 0 AEAEMO C[C@H]([NH3+])c1nc(CCC(C)(C)C)no1 300853375 631025904 /nfs/dbraw/zinc/02/59/04/631025904.db2.gz LEEVHVCSAKPVPU-ZETCQYMHSA-N 1 1 197.282 2.068 10 0 AEAEMO CC[C@@H](C)C[N@@H+](CC)C[C@@H](O)C1CC1 223338380 631026844 /nfs/dbraw/zinc/02/68/44/631026844.db2.gz DPQNPSAASZDVOF-ZYHUDNBSSA-N 1 1 199.338 2.125 10 0 AEAEMO CCC(C)(C)[C@@H](C)N[C@@H]1C[NH2+]C[C@H]1C 925785494 631051863 /nfs/dbraw/zinc/05/18/63/631051863.db2.gz PLDAWBKOSJBRSS-GMTAPVOTSA-N 1 1 198.354 2.009 10 0 AEAEMO C[C@H](CC(C)(C)C)N[C@@H]1C[NH2+]C[C@H]1C 925787129 631052353 /nfs/dbraw/zinc/05/23/53/631052353.db2.gz XGOZMLWIKPGTNA-GMTAPVOTSA-N 1 1 198.354 2.009 10 0 AEAEMO C[C@@H](CC(C)(C)C)N[C@@H]1C[NH2+]C[C@H]1C 925787130 631052603 /nfs/dbraw/zinc/05/26/03/631052603.db2.gz XGOZMLWIKPGTNA-OUAUKWLOSA-N 1 1 198.354 2.009 10 0 AEAEMO CCC(C)(C)[C@H](C)N[C@@H]1C[NH2+]C[C@H]1C 925785497 631052874 /nfs/dbraw/zinc/05/28/74/631052874.db2.gz PLDAWBKOSJBRSS-OUAUKWLOSA-N 1 1 198.354 2.009 10 0 AEAEMO CCCC[N@@H+](C)C/C=C(\C)COC 929123573 631080191 /nfs/dbraw/zinc/08/01/91/631080191.db2.gz CDQRPRAMIIUZHG-YRNVUSSQSA-N 1 1 185.311 2.311 10 0 AEAEMO CCCC[N@@H+](C)CCc1ccns1 929124558 631080754 /nfs/dbraw/zinc/08/07/54/631080754.db2.gz MWZUTIJWLKXHNG-UHFFFAOYSA-N 1 1 198.335 2.418 10 0 AEAEMO CCCC[N@@H+](C)C/C=C(/C)COC 929123571 631081458 /nfs/dbraw/zinc/08/14/58/631081458.db2.gz CDQRPRAMIIUZHG-XFFZJAGNSA-N 1 1 185.311 2.311 10 0 AEAEMO CC[N@@H+](C/C=C(\C)COC)C1CC1 929256081 631088000 /nfs/dbraw/zinc/08/80/00/631088000.db2.gz WXRPRQRVTYEQRO-JXMROGBWSA-N 1 1 183.295 2.063 10 0 AEAEMO CC[N@@H+](Cc1[nH]c(C)nc1C)C1CC1 929255305 631088139 /nfs/dbraw/zinc/08/81/39/631088139.db2.gz QCEMZDOCPLFKHO-UHFFFAOYSA-N 1 1 193.294 2.011 10 0 AEAEMO CC[N@@H+](C/C=C(/C)COC)C(C)C 929313942 631088450 /nfs/dbraw/zinc/08/84/50/631088450.db2.gz AUSYMXWPMMEFNY-XFFZJAGNSA-N 1 1 185.311 2.309 10 0 AEAEMO CC[N@@H+](C/C=C(/C)COC)C1CC1 929256082 631088614 /nfs/dbraw/zinc/08/86/14/631088614.db2.gz WXRPRQRVTYEQRO-YFHOEESVSA-N 1 1 183.295 2.063 10 0 AEAEMO CC[N@@H+](CCc1ccns1)C1CC1 929253916 631088642 /nfs/dbraw/zinc/08/86/42/631088642.db2.gz HGMZFPDQXGUTSX-UHFFFAOYSA-N 1 1 196.319 2.170 10 0 AEAEMO CC[N@@H+](C[C@@H](COC)C(C)C)C1CC1 929255243 631089002 /nfs/dbraw/zinc/08/90/02/631089002.db2.gz PDCWRMODLLEINR-NSHDSACASA-N 1 1 199.338 2.389 10 0 AEAEMO CC[N@@H+](C[C@H]1CCOC1)[C@H](C)C1CC1 929287529 631089078 /nfs/dbraw/zinc/08/90/78/631089078.db2.gz NVORUOGNODDLEI-GHMZBOCLSA-N 1 1 197.322 2.143 10 0 AEAEMO C[C@H]1C[C@@H](C[N@@H+](C)C2CC2)C[C@@H](C)O1 929274399 631089156 /nfs/dbraw/zinc/08/91/56/631089156.db2.gz FNPKJYQZVFCKDF-URLYPYJESA-N 1 1 197.322 2.284 10 0 AEAEMO CC[N@@H+](C[C@@H]1CCOC1)[C@H](C)C1CC1 929287530 631089244 /nfs/dbraw/zinc/08/92/44/631089244.db2.gz NVORUOGNODDLEI-MNOVXSKESA-N 1 1 197.322 2.143 10 0 AEAEMO CC[N@@H+](C[C@H]1CCOC1)[C@@H](C)C1CC1 929287532 631089347 /nfs/dbraw/zinc/08/93/47/631089347.db2.gz NVORUOGNODDLEI-WDEREUQCSA-N 1 1 197.322 2.143 10 0 AEAEMO C[N@@H+](CCc1ccns1)CC1CC1 929290262 631089729 /nfs/dbraw/zinc/08/97/29/631089729.db2.gz OTQIWRJRMPWSCX-UHFFFAOYSA-N 1 1 196.319 2.027 10 0 AEAEMO CC[N@@H+](C[C@@H]1CCOC1)[C@@H](C)C1CC1 929287531 631090067 /nfs/dbraw/zinc/09/00/67/631090067.db2.gz NVORUOGNODDLEI-QWRGUYRKSA-N 1 1 197.322 2.143 10 0 AEAEMO CCc1onc(C)c1C[N@@H+](C)C1CC1 929275673 631090153 /nfs/dbraw/zinc/09/01/53/631090153.db2.gz XQUQRMHUEAPXPB-UHFFFAOYSA-N 1 1 194.278 2.140 10 0 AEAEMO CC[N@@H+](C[C@H](COC)C(C)C)C1CC1 929255242 631090209 /nfs/dbraw/zinc/09/02/09/631090209.db2.gz PDCWRMODLLEINR-LLVKDONJSA-N 1 1 199.338 2.389 10 0 AEAEMO CCC[N@@H+](C)C[C@H](COC)C(C)C 929411560 631091150 /nfs/dbraw/zinc/09/11/50/631091150.db2.gz IGVIGBBLMVGBRA-LLVKDONJSA-N 1 1 187.327 2.247 10 0 AEAEMO COC/C(C)=C\C[N@@H+](C)CC(C)C 929361156 631091241 /nfs/dbraw/zinc/09/12/41/631091241.db2.gz FCQCFVQQHJCVOX-WDZFZDKYSA-N 1 1 185.311 2.167 10 0 AEAEMO CCC[N@@H+](C)Cc1c(C)noc1CC 929411998 631091775 /nfs/dbraw/zinc/09/17/75/631091775.db2.gz JXHCECMTUYHGCR-UHFFFAOYSA-N 1 1 196.294 2.387 10 0 AEAEMO CC[N@@H+](CCc1ccns1)C(C)C 929314855 631091855 /nfs/dbraw/zinc/09/18/55/631091855.db2.gz DUIXEEXLVXGXSJ-UHFFFAOYSA-N 1 1 198.335 2.416 10 0 AEAEMO COC/C(C)=C/C[N@@H+](C)CC(C)C 929361155 631091986 /nfs/dbraw/zinc/09/19/86/631091986.db2.gz FCQCFVQQHJCVOX-IZZDOVSWSA-N 1 1 185.311 2.167 10 0 AEAEMO CCC[N@@H+](C)CCc1ccns1 929412514 631092109 /nfs/dbraw/zinc/09/21/09/631092109.db2.gz OFWBGJRCSHRUGT-UHFFFAOYSA-N 1 1 184.308 2.027 10 0 AEAEMO CC(C)C[N@@H+](C)CCc1ccns1 929360777 631092528 /nfs/dbraw/zinc/09/25/28/631092528.db2.gz AQDQMWCOQTZESI-UHFFFAOYSA-N 1 1 198.335 2.273 10 0 AEAEMO CCC[N@@H+](CC)C/C=C(/C)COC 929366731 631092543 /nfs/dbraw/zinc/09/25/43/631092543.db2.gz DCUWZEIEWZJFBD-XFFZJAGNSA-N 1 1 185.311 2.311 10 0 AEAEMO CCC[N@@H+](C)C[C@@H](COC)C(C)C 929411561 631092620 /nfs/dbraw/zinc/09/26/20/631092620.db2.gz IGVIGBBLMVGBRA-NSHDSACASA-N 1 1 187.327 2.247 10 0 AEAEMO CCC[N@@H+](CC)CCc1ccns1 929366920 631092655 /nfs/dbraw/zinc/09/26/55/631092655.db2.gz QASKGFIDOXSVPU-UHFFFAOYSA-N 1 1 198.335 2.418 10 0 AEAEMO CCC[N@@H+](CC)C/C=C(\C)COC 929366732 631093000 /nfs/dbraw/zinc/09/30/00/631093000.db2.gz DCUWZEIEWZJFBD-YRNVUSSQSA-N 1 1 185.311 2.311 10 0 AEAEMO CC[N@@H+](C/C=C(\C)COC)C(C)C 929313943 631093039 /nfs/dbraw/zinc/09/30/39/631093039.db2.gz AUSYMXWPMMEFNY-YRNVUSSQSA-N 1 1 185.311 2.309 10 0 AEAEMO CC[C@H]1CCC[N@H+]1C/C=C(/C)COC 929492122 631093739 /nfs/dbraw/zinc/09/37/39/631093739.db2.gz KZQLVRKZAPKTCR-RDQDRAATSA-N 1 1 197.322 2.454 10 0 AEAEMO COC[C@@H](C[N@H+]1CC[C@H](C)C1)C(C)C 929460377 631094470 /nfs/dbraw/zinc/09/44/70/631094470.db2.gz ATQUZDVGNHXJMA-NWDGAFQWSA-N 1 1 199.338 2.247 10 0 AEAEMO COC[C@H](C[N@H+]1CC[C@H](C)C1)C(C)C 929460380 631094677 /nfs/dbraw/zinc/09/46/77/631094677.db2.gz ATQUZDVGNHXJMA-RYUDHWBXSA-N 1 1 199.338 2.247 10 0 AEAEMO COC[C@@H](C[N@H+]1CC[C@@H](C)C1)C(C)C 929460382 631094870 /nfs/dbraw/zinc/09/48/70/631094870.db2.gz ATQUZDVGNHXJMA-VXGBXAGGSA-N 1 1 199.338 2.247 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1C/C=C(\C)COC 929492129 631094954 /nfs/dbraw/zinc/09/49/54/631094954.db2.gz KZQLVRKZAPKTCR-YTRUQHMWSA-N 1 1 197.322 2.454 10 0 AEAEMO COC[C@H](C[N@H+]1CC[C@@H](C)C1)C(C)C 929460375 631094976 /nfs/dbraw/zinc/09/49/76/631094976.db2.gz ATQUZDVGNHXJMA-NEPJUHHUSA-N 1 1 199.338 2.247 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1C/C=C(/C)COC 929492124 631095082 /nfs/dbraw/zinc/09/50/82/631095082.db2.gz KZQLVRKZAPKTCR-SEVUFMINSA-N 1 1 197.322 2.454 10 0 AEAEMO CC[C@H]1CCC[N@H+]1C/C=C(\C)COC 929492127 631095804 /nfs/dbraw/zinc/09/58/04/631095804.db2.gz KZQLVRKZAPKTCR-VNKGSWCUSA-N 1 1 197.322 2.454 10 0 AEAEMO CC[N@@H+](C/C=C(/C)COC)C1CCC1 929679654 631096498 /nfs/dbraw/zinc/09/64/98/631096498.db2.gz HXEAZNLLICYQPZ-FLIBITNWSA-N 1 1 197.322 2.454 10 0 AEAEMO C[C@@H](C1CC1)[N@H+]1CCCOC(C)(C)C1 929667417 631096531 /nfs/dbraw/zinc/09/65/31/631096531.db2.gz JJYHRSAKGKSTKI-JTQLQIEISA-N 1 1 197.322 2.286 10 0 AEAEMO CC[N@@H+](C/C=C(/C)COC)CC1CC1 929624568 631096604 /nfs/dbraw/zinc/09/66/04/631096604.db2.gz LTKYEXBECPGAIF-XFFZJAGNSA-N 1 1 197.322 2.311 10 0 AEAEMO C[C@@H]1CCCCC[N@H+]1CCOC1CC1 929649318 631096925 /nfs/dbraw/zinc/09/69/25/631096925.db2.gz CZQODIXYKMRMFP-LLVKDONJSA-N 1 1 197.322 2.430 10 0 AEAEMO CCC[N@@H+](C/C=C(/C)COC)C1CC1 929515214 631097442 /nfs/dbraw/zinc/09/74/42/631097442.db2.gz ANDSHOCMHOBNHT-XFFZJAGNSA-N 1 1 197.322 2.454 10 0 AEAEMO CC[N@@H+](C/C=C(\C)COC)CC1CC1 929624569 631097773 /nfs/dbraw/zinc/09/77/73/631097773.db2.gz LTKYEXBECPGAIF-YRNVUSSQSA-N 1 1 197.322 2.311 10 0 AEAEMO CC[N@@H+](C/C=C(\C)COC)C1CCC1 929679652 631097909 /nfs/dbraw/zinc/09/79/09/631097909.db2.gz HXEAZNLLICYQPZ-DHZHZOJOSA-N 1 1 197.322 2.454 10 0 AEAEMO CCOCC[N@@H+](CC)[C@H](C)C1CC1 929601148 631097953 /nfs/dbraw/zinc/09/79/53/631097953.db2.gz MZTJCVSWRMEYER-SNVBAGLBSA-N 1 1 185.311 2.143 10 0 AEAEMO COC/C(C)=C\C[N@H+]1C[C@H](C)C[C@@H]1C 929696466 631098915 /nfs/dbraw/zinc/09/89/15/631098915.db2.gz LTINOHCYPHRFFN-XAPDAFRNSA-N 1 1 197.322 2.309 10 0 AEAEMO CCC[N@@H+](C/C=C(\C)COC)C1CC1 929515215 631098248 /nfs/dbraw/zinc/09/82/48/631098248.db2.gz ANDSHOCMHOBNHT-YRNVUSSQSA-N 1 1 197.322 2.454 10 0 AEAEMO CCOCC[N@@H+](CC)[C@@H](C)C1CC1 929601146 631098356 /nfs/dbraw/zinc/09/83/56/631098356.db2.gz MZTJCVSWRMEYER-JTQLQIEISA-N 1 1 185.311 2.143 10 0 AEAEMO C[C@H](C1CC1)[N@H+]1CCCOC(C)(C)C1 929667418 631098467 /nfs/dbraw/zinc/09/84/67/631098467.db2.gz JJYHRSAKGKSTKI-SNVBAGLBSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@H]1CCCCC[N@H+]1CCOC1CC1 929649319 631098528 /nfs/dbraw/zinc/09/85/28/631098528.db2.gz CZQODIXYKMRMFP-NSHDSACASA-N 1 1 197.322 2.430 10 0 AEAEMO COC[C@@H](C[N@@H+](C)C1CCC1)C(C)C 929720357 631099253 /nfs/dbraw/zinc/09/92/53/631099253.db2.gz NRUJRPKRUZEHTR-LLVKDONJSA-N 1 1 199.338 2.389 10 0 AEAEMO COC/C(C)=C/C[N@H+]1C[C@H](C)C[C@H]1C 929696465 631099435 /nfs/dbraw/zinc/09/94/35/631099435.db2.gz LTINOHCYPHRFFN-VDUSXYPOSA-N 1 1 197.322 2.309 10 0 AEAEMO COC[C@@H](C[N@H+]1CCC[C@H]1C)C(C)C 929755635 631099621 /nfs/dbraw/zinc/09/96/21/631099621.db2.gz VQBFHVPVHPKIOQ-VXGBXAGGSA-N 1 1 199.338 2.389 10 0 AEAEMO COC[C@H](C[N@@H+](C)C1CCC1)C(C)C 929720358 631099729 /nfs/dbraw/zinc/09/97/29/631099729.db2.gz NRUJRPKRUZEHTR-NSHDSACASA-N 1 1 199.338 2.389 10 0 AEAEMO COC/C(C)=C/C[N@@H+](C)C1CCC1 929719771 631099787 /nfs/dbraw/zinc/09/97/87/631099787.db2.gz HFDIEPDMFCPFEJ-JXMROGBWSA-N 1 1 183.295 2.063 10 0 AEAEMO COC/C(C)=C\C[N@H+]1C[C@H](C)C[C@H]1C 929696467 631099895 /nfs/dbraw/zinc/09/98/95/631099895.db2.gz LTINOHCYPHRFFN-XRHVUQDBSA-N 1 1 197.322 2.309 10 0 AEAEMO Cc1nc(C)c(C[N@H+](C)C2CCC2)[nH]1 929720910 631099948 /nfs/dbraw/zinc/09/99/48/631099948.db2.gz UEOZWKIFOJMIGO-UHFFFAOYSA-N 1 1 193.294 2.011 10 0 AEAEMO COC/C(C)=C\C[N@@H+](C)C1CCC1 929719772 631100135 /nfs/dbraw/zinc/10/01/35/631100135.db2.gz HFDIEPDMFCPFEJ-YFHOEESVSA-N 1 1 183.295 2.063 10 0 AEAEMO COC/C(C)=C/C[N@H+]1C[C@H](C)C[C@@H]1C 929696464 631100206 /nfs/dbraw/zinc/10/02/06/631100206.db2.gz LTINOHCYPHRFFN-SRXIBPRUSA-N 1 1 197.322 2.309 10 0 AEAEMO COC[C@H](C[N@H+]1CCC[C@H]1C)C(C)C 929755632 631100691 /nfs/dbraw/zinc/10/06/91/631100691.db2.gz VQBFHVPVHPKIOQ-NEPJUHHUSA-N 1 1 199.338 2.389 10 0 AEAEMO C[C@@H](C1CC1)[N@H+]1CCC[C@H]1C 929756489 631100758 /nfs/dbraw/zinc/10/07/58/631100758.db2.gz ZSJCODRZAVOQNU-BDAKNGLRSA-N 1 1 153.269 2.269 10 0 AEAEMO C[C@H]1CCC[N@@H+]1[C@H](C)C1CC1 929756490 631100930 /nfs/dbraw/zinc/10/09/30/631100930.db2.gz ZSJCODRZAVOQNU-DTWKUNHWSA-N 1 1 153.269 2.269 10 0 AEAEMO COC/C(C)=C/C[N@H+]1CCC[C@H]1C 929755719 631101078 /nfs/dbraw/zinc/10/10/78/631101078.db2.gz XJDAWBDBFWVBRV-CDCCAWJDSA-N 1 1 183.295 2.063 10 0 AEAEMO C[C@H]1CC[C@H](C)[N@@H+](CCOC2CC2)C1 929756049 631101145 /nfs/dbraw/zinc/10/11/45/631101145.db2.gz BAURFTQRHQPTIR-QWRGUYRKSA-N 1 1 197.322 2.286 10 0 AEAEMO COC/C(C)=C\C[N@H+]1CCC[C@H]1C 929755721 631101202 /nfs/dbraw/zinc/10/12/02/631101202.db2.gz XJDAWBDBFWVBRV-SDKXAQGSSA-N 1 1 183.295 2.063 10 0 AEAEMO C[C@H]1CC[C@@H](C)[N@@H+](CCOC2CC2)C1 929756050 631101288 /nfs/dbraw/zinc/10/12/88/631101288.db2.gz BAURFTQRHQPTIR-WDEREUQCSA-N 1 1 197.322 2.286 10 0 AEAEMO C[C@@H]1CCC[N@@H+]1[C@H](C)C1CC1 929756493 631101447 /nfs/dbraw/zinc/10/14/47/631101447.db2.gz ZSJCODRZAVOQNU-RKDXNWHRSA-N 1 1 153.269 2.269 10 0 AEAEMO C[C@@H]1CC[C@@H](C)[N@@H+](CCOC2CC2)C1 929756047 631101465 /nfs/dbraw/zinc/10/14/65/631101465.db2.gz BAURFTQRHQPTIR-GHMZBOCLSA-N 1 1 197.322 2.286 10 0 AEAEMO COC/C(C)=C\C[N@H+]1CCC[C@@H]1C 929755722 631101634 /nfs/dbraw/zinc/10/16/34/631101634.db2.gz XJDAWBDBFWVBRV-YAEJEKNGSA-N 1 1 183.295 2.063 10 0 AEAEMO COC/C(C)=C\C[N@@H+]1C[C@@H](C)[C@@H](C)C1 929754668 631101786 /nfs/dbraw/zinc/10/17/86/631101786.db2.gz QCFUSBVCMBDYDV-JOFNWCFDSA-N 1 1 197.322 2.167 10 0 AEAEMO COC[C@H](C[N@H+]1CCC[C@@H]1C)C(C)C 929755634 631101796 /nfs/dbraw/zinc/10/17/96/631101796.db2.gz VQBFHVPVHPKIOQ-RYUDHWBXSA-N 1 1 199.338 2.389 10 0 AEAEMO COC/C(C)=C/C[N@H+]1CCC[C@@H]1C 929755720 631101941 /nfs/dbraw/zinc/10/19/41/631101941.db2.gz XJDAWBDBFWVBRV-RUYJGKKWSA-N 1 1 183.295 2.063 10 0 AEAEMO C[C@H]1CCC[N@@H+]1[C@@H](C)C1CC1 929756491 631101958 /nfs/dbraw/zinc/10/19/58/631101958.db2.gz ZSJCODRZAVOQNU-IUCAKERBSA-N 1 1 153.269 2.269 10 0 AEAEMO C[C@H]1CC[C@@H](C)C[N@@H+]1CCOC1CC1 929756048 631101904 /nfs/dbraw/zinc/10/19/04/631101904.db2.gz BAURFTQRHQPTIR-MNOVXSKESA-N 1 1 197.322 2.286 10 0 AEAEMO COC[C@@H](C[N@H+]1CCC[C@@H]1C)C(C)C 929755633 631102088 /nfs/dbraw/zinc/10/20/88/631102088.db2.gz VQBFHVPVHPKIOQ-NWDGAFQWSA-N 1 1 199.338 2.389 10 0 AEAEMO COC/C(C)=C/C[N@@H+]1C[C@@H](C)[C@@H](C)C1 929754666 631102584 /nfs/dbraw/zinc/10/25/84/631102584.db2.gz QCFUSBVCMBDYDV-GTCXBQMPSA-N 1 1 197.322 2.167 10 0 AEAEMO CC(C)[C@@H]1CC[N@@H+](CCOC2CC2)C1 929820858 631103105 /nfs/dbraw/zinc/10/31/05/631103105.db2.gz MTGRGHOIDTZCGW-LLVKDONJSA-N 1 1 197.322 2.143 10 0 AEAEMO COC/C(C)=C\C[N@H+]1[C@@H](C)CC[C@H]1C 929830024 631103831 /nfs/dbraw/zinc/10/38/31/631103831.db2.gz XSARMTPXABSBGU-IMKDSULZSA-N 1 1 197.322 2.452 10 0 AEAEMO CC(C)[C@H]1CC[N@@H+](CCOC2CC2)C1 929820859 631104137 /nfs/dbraw/zinc/10/41/37/631104137.db2.gz MTGRGHOIDTZCGW-NSHDSACASA-N 1 1 197.322 2.143 10 0 AEAEMO COC/C(C)=C/C[N@H+]1[C@@H](C)CC[C@H]1C 929830027 631104231 /nfs/dbraw/zinc/10/42/31/631104231.db2.gz XSARMTPXABSBGU-UFGRDIFHSA-N 1 1 197.322 2.452 10 0 AEAEMO COC/C(C)=C/C[N@@H+](C)CCC1CC1 930060466 631105255 /nfs/dbraw/zinc/10/52/55/631105255.db2.gz IXILTURIDVIYOA-IZZDOVSWSA-N 1 1 197.322 2.311 10 0 AEAEMO COC/C(C)=C\C[N@@H+](C)CCC1CC1 930060467 631106058 /nfs/dbraw/zinc/10/60/58/631106058.db2.gz IXILTURIDVIYOA-WDZFZDKYSA-N 1 1 197.322 2.311 10 0 AEAEMO CC[N@@H+](C[C@H](C)OC)[C@H](C)C1CC1 930541145 631111207 /nfs/dbraw/zinc/11/12/07/631111207.db2.gz UZVOWNXCDLUYGF-VHSXEESVSA-N 1 1 185.311 2.142 10 0 AEAEMO COC/C(C)=C/C[N@@H+]1CC=C(C)CC1 930093570 631107094 /nfs/dbraw/zinc/10/70/94/631107094.db2.gz DFNVWTQYJYAEAK-WUXMJOGZSA-N 1 1 195.306 2.231 10 0 AEAEMO C[C@@H](C1CC1)[N@H+]1CC[C@@H](C(F)F)C1 930127360 631107221 /nfs/dbraw/zinc/10/72/21/631107221.db2.gz PGEMOTMNDJVJOC-IONNQARKSA-N 1 1 189.249 2.372 10 0 AEAEMO C[C@H](C1CC1)[N@H+]1CC[C@H](C(F)F)C1 930127358 631107303 /nfs/dbraw/zinc/10/73/03/631107303.db2.gz PGEMOTMNDJVJOC-APPZFPTMSA-N 1 1 189.249 2.372 10 0 AEAEMO COC/C(C)=C\C[N@@H+]1CC=C(C)CC1 930093568 631107859 /nfs/dbraw/zinc/10/78/59/631107859.db2.gz DFNVWTQYJYAEAK-SDQBBNPISA-N 1 1 195.306 2.231 10 0 AEAEMO CC[C@@H]1C[C@H]1C[N@H+]1CCCSCC1 930120018 631107926 /nfs/dbraw/zinc/10/79/26/631107926.db2.gz ULVQHYUSRINLNP-MNOVXSKESA-N 1 1 199.363 2.471 10 0 AEAEMO CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H]2C[C@H]21 930122171 631108206 /nfs/dbraw/zinc/10/82/06/631108206.db2.gz MZBVMCHIBZEFDK-VPOLOUISSA-N 1 1 165.280 2.127 10 0 AEAEMO CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]2C[C@@H]21 930122172 631108541 /nfs/dbraw/zinc/10/85/41/631108541.db2.gz MZBVMCHIBZEFDK-ZNSHCXBVSA-N 1 1 165.280 2.127 10 0 AEAEMO C[C@H](C1CC1)[N@H+]1CC[C@@H](C(F)F)C1 930127361 631108585 /nfs/dbraw/zinc/10/85/85/631108585.db2.gz PGEMOTMNDJVJOC-VXNVDRBHSA-N 1 1 189.249 2.372 10 0 AEAEMO C[C@@H](C1CC1)[N@H+]1CC[C@H](C(F)F)C1 930127359 631108616 /nfs/dbraw/zinc/10/86/16/631108616.db2.gz PGEMOTMNDJVJOC-CBAPKCEASA-N 1 1 189.249 2.372 10 0 AEAEMO CCCC[N@@H+](CCCO)[C@H](C)C1CC1 930237781 631109128 /nfs/dbraw/zinc/10/91/28/631109128.db2.gz WQFXEJSWZBDLHR-LLVKDONJSA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@@H]1C[N@H+]([C@@H](C)C2CC2)CCCO1 930316415 631111349 /nfs/dbraw/zinc/11/13/49/631111349.db2.gz JCDPCQFUOSFUBX-CMPLNLGQSA-N 1 1 197.322 2.286 10 0 AEAEMO CCCC[N@@H+](CCCO)[C@@H](C)C1CC1 930237782 631109499 /nfs/dbraw/zinc/10/94/99/631109499.db2.gz WQFXEJSWZBDLHR-NSHDSACASA-N 1 1 199.338 2.269 10 0 AEAEMO CC[C@H]1C[N@H+]([C@@H](C)C2CC2)CCCO1 930316416 631110798 /nfs/dbraw/zinc/11/07/98/631110798.db2.gz JCDPCQFUOSFUBX-JQWIXIFHSA-N 1 1 197.322 2.286 10 0 AEAEMO CC[C@@H]1C[N@H+]([C@H](C)C2CC2)CCCO1 930316418 631111628 /nfs/dbraw/zinc/11/16/28/631111628.db2.gz JCDPCQFUOSFUBX-ZYHUDNBSSA-N 1 1 197.322 2.286 10 0 AEAEMO CC1=CCC[N@H+]([C@@H](C)C2CC2)C1 930306390 631111650 /nfs/dbraw/zinc/11/16/50/631111650.db2.gz NOZFUWOGZBITEO-JTQLQIEISA-N 1 1 165.280 2.437 10 0 AEAEMO CC[N@@H+](C[C@@H](C)OC)[C@@H](C)C1CC1 930541146 631111753 /nfs/dbraw/zinc/11/17/53/631111753.db2.gz UZVOWNXCDLUYGF-ZJUUUORDSA-N 1 1 185.311 2.142 10 0 AEAEMO CO[C@H]1C[C@@H]([N@@H+](C)CC2CC(C)C2)C1 930447721 631111790 /nfs/dbraw/zinc/11/17/90/631111790.db2.gz GHQVUVAVVPDIPL-CAODYFQJSA-N 1 1 197.322 2.142 10 0 AEAEMO CC[N@@H+](C[C@H](C)OC)[C@@H](C)C1CC1 930541144 631111804 /nfs/dbraw/zinc/11/18/04/631111804.db2.gz UZVOWNXCDLUYGF-UWVGGRQHSA-N 1 1 185.311 2.142 10 0 AEAEMO CC[C@H]1C[N@H+]([C@H](C)C2CC2)CCCO1 930316417 631111861 /nfs/dbraw/zinc/11/18/61/631111861.db2.gz JCDPCQFUOSFUBX-PWSUYJOCSA-N 1 1 197.322 2.286 10 0 AEAEMO COC/C(C)=C\C[N@H+]1CCC=C(C)C1 930307469 631111884 /nfs/dbraw/zinc/11/18/84/631111884.db2.gz TXNLEVVTUOXUEU-SDQBBNPISA-N 1 1 195.306 2.231 10 0 AEAEMO COC/C(C)=C/C[N@H+]1CCC=C(C)C1 930307470 631112050 /nfs/dbraw/zinc/11/20/50/631112050.db2.gz TXNLEVVTUOXUEU-WUXMJOGZSA-N 1 1 195.306 2.231 10 0 AEAEMO CC[C@@H]1C[C@H]1C[N@@H+](C)[C@H]1C[C@@H](OC)C1 930447918 631112331 /nfs/dbraw/zinc/11/23/31/631112331.db2.gz KSQIKFBASRCTET-KXNHARMFSA-N 1 1 197.322 2.142 10 0 AEAEMO CC1=CCC[N@H+]([C@H](C)C2CC2)C1 930306391 631112400 /nfs/dbraw/zinc/11/24/00/631112400.db2.gz NOZFUWOGZBITEO-SNVBAGLBSA-N 1 1 165.280 2.437 10 0 AEAEMO CC(C)O[C@@H]1CC[N@H+]([C@H](C)C2CC2)C1 930810242 631113133 /nfs/dbraw/zinc/11/31/33/631113133.db2.gz FWNQRXXDAFQWBL-ZYHUDNBSSA-N 1 1 197.322 2.284 10 0 AEAEMO CC1CC(C[N@H+]2C[C@@H]3C[C@H]2CS3)C1 930706752 631113204 /nfs/dbraw/zinc/11/32/04/631113204.db2.gz YNAPQWXZIXZVIA-TVUZUIDESA-N 1 1 197.347 2.222 10 0 AEAEMO CC(C)O[C@@H]1CC[N@H+]([C@@H](C)C2CC2)C1 930810241 631113671 /nfs/dbraw/zinc/11/36/71/631113671.db2.gz FWNQRXXDAFQWBL-CMPLNLGQSA-N 1 1 197.322 2.284 10 0 AEAEMO CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2C[C@H]1CS2 930705866 631113789 /nfs/dbraw/zinc/11/37/89/631113789.db2.gz LTRZCYIFNJLZIR-RCWTZXSCSA-N 1 1 197.347 2.222 10 0 AEAEMO C[C@@H]1CC[N@@H+](CCOC2CC2)[C@H](C)C1 930759826 631114191 /nfs/dbraw/zinc/11/41/91/631114191.db2.gz DNCDIKDZYLJRAL-GHMZBOCLSA-N 1 1 197.322 2.286 10 0 AEAEMO C1CCC2(C1)CC[N@@H+]2CCOC1CC1 930845537 631115192 /nfs/dbraw/zinc/11/51/92/631115192.db2.gz NTUXGPZWEBATCN-UHFFFAOYSA-N 1 1 195.306 2.184 10 0 AEAEMO C[N@@H+](CCc1ccns1)C(C)(C)C 930824772 631115683 /nfs/dbraw/zinc/11/56/83/631115683.db2.gz IRKYTTBDAZTVOS-UHFFFAOYSA-N 1 1 198.335 2.416 10 0 AEAEMO COC/C(C)=C\C[N@@H+](C)C(C)(C)C 930827336 631116015 /nfs/dbraw/zinc/11/60/15/631116015.db2.gz ZRZYBOARTCYVLG-YFHOEESVSA-N 1 1 185.311 2.309 10 0 AEAEMO COC/C(C)=C/C[N@@H+](C)C(C)(C)C 930827334 631116668 /nfs/dbraw/zinc/11/66/68/631116668.db2.gz ZRZYBOARTCYVLG-JXMROGBWSA-N 1 1 185.311 2.309 10 0 AEAEMO C[C@H]1C[N@@H+]([C@H](C)C2CC2)CC[C@@H](C)O1 931021891 631118167 /nfs/dbraw/zinc/11/81/67/631118167.db2.gz POWBDGYIELRQMZ-OUAUKWLOSA-N 1 1 197.322 2.284 10 0 AEAEMO CCCCC[N@H+]1CC[C@H](N(C)C)[C@@H]1C 931041118 631117393 /nfs/dbraw/zinc/11/73/93/631117393.db2.gz HJIJXZKACWOXOD-RYUDHWBXSA-N 1 1 198.354 2.201 10 0 AEAEMO C[C@H]1C[N@@H+]([C@@H](C)C2CC2)CC[C@@H](C)O1 931021892 631117557 /nfs/dbraw/zinc/11/75/57/631117557.db2.gz POWBDGYIELRQMZ-VWYCJHECSA-N 1 1 197.322 2.284 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@H](N(C)C)[C@H]1C 931040573 631118081 /nfs/dbraw/zinc/11/80/81/631118081.db2.gz FIVMNORORVPEHD-TUAOUCFPSA-N 1 1 198.354 2.199 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C)[C@H]1C 931040570 631118272 /nfs/dbraw/zinc/11/82/72/631118272.db2.gz FIVMNORORVPEHD-QJPTWQEYSA-N 1 1 198.354 2.199 10 0 AEAEMO CCCCC[N@H+]1CC[C@H](N(C)C)[C@H]1C 931041116 631118361 /nfs/dbraw/zinc/11/83/61/631118361.db2.gz HJIJXZKACWOXOD-NEPJUHHUSA-N 1 1 198.354 2.201 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@H](N(C)C)[C@@H]1C 931040572 631118525 /nfs/dbraw/zinc/11/85/25/631118525.db2.gz FIVMNORORVPEHD-SRVKXCTJSA-N 1 1 198.354 2.199 10 0 AEAEMO CCCCC[N@H+]1CC[C@@H](N(C)C)[C@H]1C 931041119 631118818 /nfs/dbraw/zinc/11/88/18/631118818.db2.gz HJIJXZKACWOXOD-VXGBXAGGSA-N 1 1 198.354 2.201 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C)[C@@H]1C 931040571 631118942 /nfs/dbraw/zinc/11/89/42/631118942.db2.gz FIVMNORORVPEHD-SDDRHHMPSA-N 1 1 198.354 2.199 10 0 AEAEMO CCCCC[N@H+]1CC[C@@H](N(C)C)[C@@H]1C 931041117 631118976 /nfs/dbraw/zinc/11/89/76/631118976.db2.gz HJIJXZKACWOXOD-NWDGAFQWSA-N 1 1 198.354 2.201 10 0 AEAEMO C[C@H](C1CC1)[N@@H+](C)CC1=CCSC1 931072411 631119705 /nfs/dbraw/zinc/11/97/05/631119705.db2.gz SPYKNIRGSWZGJZ-SECBINFHSA-N 1 1 197.347 2.390 10 0 AEAEMO C[C@@H](C1CC1)[N@@H+](C)CC1=CCSC1 931072412 631120127 /nfs/dbraw/zinc/12/01/27/631120127.db2.gz SPYKNIRGSWZGJZ-VIFPVBQESA-N 1 1 197.347 2.390 10 0 AEAEMO COC/C(C)=C/C[N@H+]1CC2CC1(C)C2 931079581 631120594 /nfs/dbraw/zinc/12/05/94/631120594.db2.gz LQGWJEFZTWYUGH-ONNFQVAWSA-N 1 1 195.306 2.063 10 0 AEAEMO COC/C(C)=C\C[N@H+]1CC2CC1(C)C2 931079582 631120982 /nfs/dbraw/zinc/12/09/82/631120982.db2.gz LQGWJEFZTWYUGH-WMZJFQQLSA-N 1 1 195.306 2.063 10 0 AEAEMO CC[C@@H](CO)[N@H+]1CCCC2(CC1)CC2 931334470 631122025 /nfs/dbraw/zinc/12/20/25/631122025.db2.gz MNLYHYCKBQLOQY-NSHDSACASA-N 1 1 197.322 2.023 10 0 AEAEMO CC[C@H](CO)[N@H+]1CCCC2(CC1)CC2 931334469 631122120 /nfs/dbraw/zinc/12/21/20/631122120.db2.gz MNLYHYCKBQLOQY-LLVKDONJSA-N 1 1 197.322 2.023 10 0 AEAEMO CCCCN1CCC(C)([NH+](C)C)CC1 931350788 631123115 /nfs/dbraw/zinc/12/31/15/631123115.db2.gz YFJMTQAMRCBBFJ-UHFFFAOYSA-N 1 1 198.354 2.203 10 0 AEAEMO CC[C@@H](C)[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 931461712 631123697 /nfs/dbraw/zinc/12/36/97/631123697.db2.gz YCWHLESYZJSMRU-DTWKUNHWSA-N 1 1 193.294 2.127 10 0 AEAEMO C[Si](C)(C)C[N@@H+]1CC[C@H]1C(F)F 931422016 631123714 /nfs/dbraw/zinc/12/37/14/631123714.db2.gz TZBHYYWPPSDCFI-ZETCQYMHSA-N 1 1 193.313 2.203 10 0 AEAEMO C[Si](C)(C)C[N@H+]1CC[C@H]1C(F)F 931422016 631123715 /nfs/dbraw/zinc/12/37/15/631123715.db2.gz TZBHYYWPPSDCFI-ZETCQYMHSA-N 1 1 193.313 2.203 10 0 AEAEMO CCCC[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 931456531 631123920 /nfs/dbraw/zinc/12/39/20/631123920.db2.gz QNPLQLXJORIMGO-VIFPVBQESA-N 1 1 193.294 2.129 10 0 AEAEMO CC[C@@]1(O)CCC[N@H+]([C@H](C)C2CC2)C1 931476835 631124143 /nfs/dbraw/zinc/12/41/43/631124143.db2.gz RWQRCZWAVQUZJC-ZYHUDNBSSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@H](C)[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 931461711 631124226 /nfs/dbraw/zinc/12/42/26/631124226.db2.gz YCWHLESYZJSMRU-BDAKNGLRSA-N 1 1 193.294 2.127 10 0 AEAEMO CC[C@@]1(O)CCC[N@H+]([C@@H](C)C2CC2)C1 931476832 631124338 /nfs/dbraw/zinc/12/43/38/631124338.db2.gz RWQRCZWAVQUZJC-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO CC(C)=CCCN1CCn2cc[nH+]c21 931518023 631124374 /nfs/dbraw/zinc/12/43/74/631124374.db2.gz BZQULWANANKXQG-UHFFFAOYSA-N 1 1 191.278 2.059 10 0 AEAEMO CCCC[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 931456530 631124439 /nfs/dbraw/zinc/12/44/39/631124439.db2.gz QNPLQLXJORIMGO-SECBINFHSA-N 1 1 193.294 2.129 10 0 AEAEMO CC[C@@H](C)[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 931461714 631124472 /nfs/dbraw/zinc/12/44/72/631124472.db2.gz YCWHLESYZJSMRU-RKDXNWHRSA-N 1 1 193.294 2.127 10 0 AEAEMO CC[C@H](C)[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 931461713 631124797 /nfs/dbraw/zinc/12/47/97/631124797.db2.gz YCWHLESYZJSMRU-IUCAKERBSA-N 1 1 193.294 2.127 10 0 AEAEMO CC[C@]1(O)CCC[N@H+]([C@@H](C)C2CC2)C1 931476833 631124988 /nfs/dbraw/zinc/12/49/88/631124988.db2.gz RWQRCZWAVQUZJC-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO CC[C@]1(O)CCC[N@H+]([C@H](C)C2CC2)C1 931476834 631125004 /nfs/dbraw/zinc/12/50/04/631125004.db2.gz RWQRCZWAVQUZJC-PWSUYJOCSA-N 1 1 197.322 2.022 10 0 AEAEMO C[Si](C)(C)C[N@@H+]1CC[C@@H]1C(F)F 931422007 631125102 /nfs/dbraw/zinc/12/51/02/631125102.db2.gz TZBHYYWPPSDCFI-SSDOTTSWSA-N 1 1 193.313 2.203 10 0 AEAEMO C[Si](C)(C)C[N@H+]1CC[C@@H]1C(F)F 931422007 631125104 /nfs/dbraw/zinc/12/51/04/631125104.db2.gz TZBHYYWPPSDCFI-SSDOTTSWSA-N 1 1 193.313 2.203 10 0 AEAEMO C[C@@H](C1CC1)[N@H+]1CCC[C@H](CF)C1 931682892 631125363 /nfs/dbraw/zinc/12/53/63/631125363.db2.gz QRFOHUOYKVUFEG-VHSXEESVSA-N 1 1 185.286 2.466 10 0 AEAEMO C[C@H](C1CC1)[N@H+]1CC[C@H](CF)C1 931685371 631125749 /nfs/dbraw/zinc/12/57/49/631125749.db2.gz CQPBVOUWLOXQDO-RKDXNWHRSA-N 1 1 171.259 2.076 10 0 AEAEMO C[C@@H](C1CC1)[N@H+]1CCC[C@@H](CF)C1 931682891 631125759 /nfs/dbraw/zinc/12/57/59/631125759.db2.gz QRFOHUOYKVUFEG-UWVGGRQHSA-N 1 1 185.286 2.466 10 0 AEAEMO C[C@H](C1CC1)[N@H+]1CC[C@@H](CF)C1 931685368 631125881 /nfs/dbraw/zinc/12/58/81/631125881.db2.gz CQPBVOUWLOXQDO-BDAKNGLRSA-N 1 1 171.259 2.076 10 0 AEAEMO CC/C=C/CCN1CCn2cc[nH+]c21 931520874 631126113 /nfs/dbraw/zinc/12/61/13/631126113.db2.gz ALTQOKWMOXVDJI-ONEGZZNKSA-N 1 1 191.278 2.059 10 0 AEAEMO CC/C=C\CCN1CCn2cc[nH+]c21 931520873 631126399 /nfs/dbraw/zinc/12/63/99/631126399.db2.gz ALTQOKWMOXVDJI-ARJAWSKDSA-N 1 1 191.278 2.059 10 0 AEAEMO C[C@H](C1CC1)[N@H+]1CCC[C@@H](CF)C1 931682893 631126479 /nfs/dbraw/zinc/12/64/79/631126479.db2.gz QRFOHUOYKVUFEG-ZJUUUORDSA-N 1 1 185.286 2.466 10 0 AEAEMO C[C@@H](C1CC1)[N@H+]1CC[C@H](CF)C1 931685369 631126691 /nfs/dbraw/zinc/12/66/91/631126691.db2.gz CQPBVOUWLOXQDO-DTWKUNHWSA-N 1 1 171.259 2.076 10 0 AEAEMO C[C@H](C1CC1)[N@H+]1CCC[C@H](CF)C1 931682890 631126726 /nfs/dbraw/zinc/12/67/26/631126726.db2.gz QRFOHUOYKVUFEG-NXEZZACHSA-N 1 1 185.286 2.466 10 0 AEAEMO C[C@@H](C1CC1)[N@H+]1CC[C@@H](CF)C1 931685370 631126729 /nfs/dbraw/zinc/12/67/29/631126729.db2.gz CQPBVOUWLOXQDO-IUCAKERBSA-N 1 1 171.259 2.076 10 0 AEAEMO FCC[N@H+]1CCC[C@@H]1c1cccnc1 36448480 631137975 /nfs/dbraw/zinc/13/79/75/631137975.db2.gz FDSGUVVGURFHME-LLVKDONJSA-N 1 1 194.253 2.188 10 0 AEAEMO C[C@@H](C1CC1)[N@@H+]1C[C@H]2CSC[C@H]2C1 931746978 631127640 /nfs/dbraw/zinc/12/76/40/631127640.db2.gz XCBKOGRLYVFQRC-INTQDDNPSA-N 1 1 197.347 2.080 10 0 AEAEMO C[C@H](C1CC1)[N@@H+]1C[C@H]2CSC[C@H]2C1 931746977 631127987 /nfs/dbraw/zinc/12/79/87/631127987.db2.gz XCBKOGRLYVFQRC-IEBDPFPHSA-N 1 1 197.347 2.080 10 0 AEAEMO CC(F)(F)CCC[N@@H+]1C[C@H]2C[C@H]2C1 931711011 631128179 /nfs/dbraw/zinc/12/81/79/631128179.db2.gz XOYUKISPDCCUFN-DTORHVGOSA-N 1 1 189.249 2.374 10 0 AEAEMO CC(C)[C@@H](C)[N@H+]1CCO[C@@H](C)CC1 932336063 631130368 /nfs/dbraw/zinc/13/03/68/631130368.db2.gz NERKAPXXFRROOS-WDEREUQCSA-N 1 1 185.311 2.142 10 0 AEAEMO CC(C)[C@@H](C)[N@H+]1CCO[C@H](C)CC1 932336060 631130913 /nfs/dbraw/zinc/13/09/13/631130913.db2.gz NERKAPXXFRROOS-GHMZBOCLSA-N 1 1 185.311 2.142 10 0 AEAEMO C[C@@H]1CC[N@@H+](CC2=CCCC2)CCO1 932334529 631130889 /nfs/dbraw/zinc/13/08/89/631130889.db2.gz GPOIVBIUVIXOSJ-LLVKDONJSA-N 1 1 195.306 2.208 10 0 AEAEMO C[C@H]1CC[N@H+]([C@H]2C=CCCC2)CCO1 932346893 631131049 /nfs/dbraw/zinc/13/10/49/631131049.db2.gz YYCALNRLASGNRJ-RYUDHWBXSA-N 1 1 195.306 2.206 10 0 AEAEMO C=C/C=C\CC[N@H+]1CCO[C@@H](C)CC1 932337277 631131102 /nfs/dbraw/zinc/13/11/02/631131102.db2.gz RLWUMMHSFRIYTL-RXNFCKPNSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@@H]1CC[N@H+]([C@@H]2C=CCCC2)CCO1 932346894 631131483 /nfs/dbraw/zinc/13/14/83/631131483.db2.gz YYCALNRLASGNRJ-VXGBXAGGSA-N 1 1 195.306 2.206 10 0 AEAEMO C=C/C=C/CC[N@H+]1CCO[C@H](C)CC1 932337278 631131512 /nfs/dbraw/zinc/13/15/12/631131512.db2.gz RLWUMMHSFRIYTL-ZYOFXKKJSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@H]1CC[N@@H+](CC2=CCCC2)CCO1 932334531 631131648 /nfs/dbraw/zinc/13/16/48/631131648.db2.gz GPOIVBIUVIXOSJ-NSHDSACASA-N 1 1 195.306 2.208 10 0 AEAEMO C[C@@H]1CC[N@H+]([C@H]2C=CCCC2)CCO1 932346891 631131827 /nfs/dbraw/zinc/13/18/27/631131827.db2.gz YYCALNRLASGNRJ-NEPJUHHUSA-N 1 1 195.306 2.206 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CCO[C@@H](C)CC1 932336062 631131849 /nfs/dbraw/zinc/13/18/49/631131849.db2.gz NERKAPXXFRROOS-QWRGUYRKSA-N 1 1 185.311 2.142 10 0 AEAEMO C=C/C=C/CC[N@H+]1CCO[C@@H](C)CC1 932337275 631131893 /nfs/dbraw/zinc/13/18/93/631131893.db2.gz RLWUMMHSFRIYTL-ITKZLYELSA-N 1 1 195.306 2.230 10 0 AEAEMO CC[C@@H]1C[C@H]1C[N@H+]1CCO[C@H](C)CC1 932338074 631131981 /nfs/dbraw/zinc/13/19/81/631131981.db2.gz YCQUBCYPBWCDQH-UTUOFQBUSA-N 1 1 197.322 2.143 10 0 AEAEMO CC[C@@H]1C[C@H]1C[N@H+]1CCO[C@@H](C)CC1 932338073 631132175 /nfs/dbraw/zinc/13/21/75/631132175.db2.gz YCQUBCYPBWCDQH-TUAOUCFPSA-N 1 1 197.322 2.143 10 0 AEAEMO CC(C)[C@H](C)[N@H+]1CCO[C@H](C)CC1 932336061 631132178 /nfs/dbraw/zinc/13/21/78/631132178.db2.gz NERKAPXXFRROOS-MNOVXSKESA-N 1 1 185.311 2.142 10 0 AEAEMO C[C@H]1CC[N@H+]([C@@H]2C=CCCC2)CCO1 932346892 631132188 /nfs/dbraw/zinc/13/21/88/631132188.db2.gz YYCALNRLASGNRJ-NWDGAFQWSA-N 1 1 195.306 2.206 10 0 AEAEMO C=C/C=C\CC[N@H+]1CCO[C@H](C)CC1 932337276 631132203 /nfs/dbraw/zinc/13/22/03/631132203.db2.gz RLWUMMHSFRIYTL-QMAVJUDZSA-N 1 1 195.306 2.230 10 0 AEAEMO CCC(CC)C[N@H+]1CCCC(=O)[C@H]1C 932844797 631134857 /nfs/dbraw/zinc/13/48/57/631134857.db2.gz HGMSIGGGYDYDCK-SNVBAGLBSA-N 1 1 197.322 2.476 10 0 AEAEMO C=C/C=C\CC[N@@H+]1CCCC(=O)[C@@H]1C 932843366 631135063 /nfs/dbraw/zinc/13/50/63/631135063.db2.gz BMZKHVZQVQZPFV-WYGGZMRJSA-N 1 1 193.290 2.172 10 0 AEAEMO C=C/C=C\CC[N@H+]1CCCC(=O)[C@@H]1C 932843366 631135066 /nfs/dbraw/zinc/13/50/66/631135066.db2.gz BMZKHVZQVQZPFV-WYGGZMRJSA-N 1 1 193.290 2.172 10 0 AEAEMO CCCCC[N@@H+]1CCCC(=O)[C@@H]1C 932843824 631135204 /nfs/dbraw/zinc/13/52/04/631135204.db2.gz DLSVWGMABCLDSR-JTQLQIEISA-N 1 1 183.295 2.230 10 0 AEAEMO CCCCC[N@H+]1CCCC(=O)[C@@H]1C 932843824 631135206 /nfs/dbraw/zinc/13/52/06/631135206.db2.gz DLSVWGMABCLDSR-JTQLQIEISA-N 1 1 183.295 2.230 10 0 AEAEMO C[C@H]1C(=O)CCC[N@H+]1CC1(C)CCC1 932844223 631135249 /nfs/dbraw/zinc/13/52/49/631135249.db2.gz GIFBQRNVASYVRA-JTQLQIEISA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@H]1C(=O)CCC[N@@H+]1CC1(C)CCC1 932844223 631135251 /nfs/dbraw/zinc/13/52/51/631135251.db2.gz GIFBQRNVASYVRA-JTQLQIEISA-N 1 1 195.306 2.230 10 0 AEAEMO CC1CC(C[N@@H+]2CCCC(=O)[C@@H]2C)C1 932846669 631135274 /nfs/dbraw/zinc/13/52/74/631135274.db2.gz UGEBQFWNBOAEJJ-YVNMAJEFSA-N 1 1 195.306 2.086 10 0 AEAEMO CC1CC(C[N@H+]2CCCC(=O)[C@@H]2C)C1 932846669 631135275 /nfs/dbraw/zinc/13/52/75/631135275.db2.gz UGEBQFWNBOAEJJ-YVNMAJEFSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@@H]1C(=O)CCC[N@H+]1CCC1CCC1 932844808 631135305 /nfs/dbraw/zinc/13/53/05/631135305.db2.gz HIMDLWPPUDJJEX-SNVBAGLBSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@@H]1C(=O)CCC[N@@H+]1CCC1CCC1 932844808 631135306 /nfs/dbraw/zinc/13/53/06/631135306.db2.gz HIMDLWPPUDJJEX-SNVBAGLBSA-N 1 1 195.306 2.230 10 0 AEAEMO C=C/C=C/CC[N@@H+]1CCCC(=O)[C@H]1C 932843365 631135444 /nfs/dbraw/zinc/13/54/44/631135444.db2.gz BMZKHVZQVQZPFV-SGUJLRQBSA-N 1 1 193.290 2.172 10 0 AEAEMO C=C/C=C/CC[N@H+]1CCCC(=O)[C@H]1C 932843365 631135446 /nfs/dbraw/zinc/13/54/46/631135446.db2.gz BMZKHVZQVQZPFV-SGUJLRQBSA-N 1 1 193.290 2.172 10 0 AEAEMO C[C@H]1C(=O)CCC[N@H+]1CCC1CCC1 932844805 631135543 /nfs/dbraw/zinc/13/55/43/631135543.db2.gz HIMDLWPPUDJJEX-JTQLQIEISA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@H]1C(=O)CCC[N@@H+]1CCC1CCC1 932844805 631135546 /nfs/dbraw/zinc/13/55/46/631135546.db2.gz HIMDLWPPUDJJEX-JTQLQIEISA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@@H]1C(=O)CCC[N@H+]1CC1(C)CCC1 932844224 631135655 /nfs/dbraw/zinc/13/56/55/631135655.db2.gz GIFBQRNVASYVRA-SNVBAGLBSA-N 1 1 195.306 2.230 10 0 AEAEMO C[C@@H]1C(=O)CCC[N@@H+]1CC1(C)CCC1 932844224 631135659 /nfs/dbraw/zinc/13/56/59/631135659.db2.gz GIFBQRNVASYVRA-SNVBAGLBSA-N 1 1 195.306 2.230 10 0 AEAEMO FCCCC[N@H+]1CCn2cccc2C1 932523540 631135738 /nfs/dbraw/zinc/13/57/38/631135738.db2.gz CFLAPHLHGOAZTQ-UHFFFAOYSA-N 1 1 196.269 2.053 10 0 AEAEMO C=C/C=C/CC[N@@H+]1CCCC(=O)[C@@H]1C 932843367 631135857 /nfs/dbraw/zinc/13/58/57/631135857.db2.gz BMZKHVZQVQZPFV-ZWNMCFTASA-N 1 1 193.290 2.172 10 0 AEAEMO C=C/C=C/CC[N@H+]1CCCC(=O)[C@@H]1C 932843367 631135861 /nfs/dbraw/zinc/13/58/61/631135861.db2.gz BMZKHVZQVQZPFV-ZWNMCFTASA-N 1 1 193.290 2.172 10 0 AEAEMO CC[C@@H]1C[C@H]1C[N@H+]1CCCC(=O)[C@@H]1C 932846696 631135984 /nfs/dbraw/zinc/13/59/84/631135984.db2.gz UXLAGGZJAFNSNK-AXFHLTTASA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@@H]1C[C@H]1C[N@@H+]1CCCC(=O)[C@@H]1C 932846696 631135981 /nfs/dbraw/zinc/13/59/81/631135981.db2.gz UXLAGGZJAFNSNK-AXFHLTTASA-N 1 1 195.306 2.086 10 0 AEAEMO CCC(CC)C[N@H+]1CCCC(=O)[C@@H]1C 932844796 631136019 /nfs/dbraw/zinc/13/60/19/631136019.db2.gz HGMSIGGGYDYDCK-JTQLQIEISA-N 1 1 197.322 2.476 10 0 AEAEMO CCCCC[N@@H+]1CCCC(=O)[C@H]1C 932843828 631136151 /nfs/dbraw/zinc/13/61/51/631136151.db2.gz DLSVWGMABCLDSR-SNVBAGLBSA-N 1 1 183.295 2.230 10 0 AEAEMO CCCCC[N@H+]1CCCC(=O)[C@H]1C 932843828 631136154 /nfs/dbraw/zinc/13/61/54/631136154.db2.gz DLSVWGMABCLDSR-SNVBAGLBSA-N 1 1 183.295 2.230 10 0 AEAEMO C=C/C=C\CC[N@@H+]1CCCC(=O)[C@H]1C 932843364 631136318 /nfs/dbraw/zinc/13/63/18/631136318.db2.gz BMZKHVZQVQZPFV-DOGVGXBMSA-N 1 1 193.290 2.172 10 0 AEAEMO C=C/C=C\CC[N@H+]1CCCC(=O)[C@H]1C 932843364 631136320 /nfs/dbraw/zinc/13/63/20/631136320.db2.gz BMZKHVZQVQZPFV-DOGVGXBMSA-N 1 1 193.290 2.172 10 0 AEAEMO CC1CC(C[N@@H+]2CCCC(=O)[C@H]2C)C1 932846668 631136498 /nfs/dbraw/zinc/13/64/98/631136498.db2.gz UGEBQFWNBOAEJJ-HSOILSAZSA-N 1 1 195.306 2.086 10 0 AEAEMO CC1CC(C[N@H+]2CCCC(=O)[C@H]2C)C1 932846668 631136499 /nfs/dbraw/zinc/13/64/99/631136499.db2.gz UGEBQFWNBOAEJJ-HSOILSAZSA-N 1 1 195.306 2.086 10 0 AEAEMO C[C@H]1C(=O)CCC[N@@H+]1CC1CCCC1 932848254 631136763 /nfs/dbraw/zinc/13/67/63/631136763.db2.gz SYBQENQYJLWMOI-JTQLQIEISA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)CCC[N@@H+]1CC(=O)CC[C@H]1C 932878449 631136875 /nfs/dbraw/zinc/13/68/75/631136875.db2.gz YQRAPJHXEDDRDN-LLVKDONJSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(C)CCC[N@H+]1CC(=O)CC[C@H]1C 932878449 631136876 /nfs/dbraw/zinc/13/68/76/631136876.db2.gz YQRAPJHXEDDRDN-LLVKDONJSA-N 1 1 197.322 2.476 10 0 AEAEMO CC[C@@H](C)C[N@@H+]1CCCC(=O)[C@@H]1C 932848699 631136920 /nfs/dbraw/zinc/13/69/20/631136920.db2.gz VJDHKEOBWXQULP-ZJUUUORDSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CCCC(=O)[C@@H]1C 932848699 631136921 /nfs/dbraw/zinc/13/69/21/631136921.db2.gz VJDHKEOBWXQULP-ZJUUUORDSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)CCC[N@@H+]1CC(=O)CC[C@@H]1C 932878450 631136956 /nfs/dbraw/zinc/13/69/56/631136956.db2.gz YQRAPJHXEDDRDN-NSHDSACASA-N 1 1 197.322 2.476 10 0 AEAEMO CC(C)CCC[N@H+]1CC(=O)CC[C@@H]1C 932878450 631136959 /nfs/dbraw/zinc/13/69/59/631136959.db2.gz YQRAPJHXEDDRDN-NSHDSACASA-N 1 1 197.322 2.476 10 0 AEAEMO C[C@@H]1C(=O)CCC[N@@H+]1CC1CC=CC1 932847540 631137066 /nfs/dbraw/zinc/13/70/66/631137066.db2.gz XUBPBEULJLXZDS-SNVBAGLBSA-N 1 1 193.290 2.006 10 0 AEAEMO CCCCC[N@@H+]1CC(=O)CC[C@@H]1C 932870560 631137082 /nfs/dbraw/zinc/13/70/82/631137082.db2.gz LKAYMELEQHYORB-JTQLQIEISA-N 1 1 183.295 2.230 10 0 AEAEMO CCCCC[N@H+]1CC(=O)CC[C@@H]1C 932870560 631137086 /nfs/dbraw/zinc/13/70/86/631137086.db2.gz LKAYMELEQHYORB-JTQLQIEISA-N 1 1 183.295 2.230 10 0 AEAEMO CC[C@@H]1C[C@H]1C[N@@H+]1CC(=O)CC[C@@H]1C 932876262 631137133 /nfs/dbraw/zinc/13/71/33/631137133.db2.gz BBTQDBNSVMMHHM-AXFHLTTASA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@@H]1C[C@H]1C[N@H+]1CC(=O)CC[C@@H]1C 932876262 631137137 /nfs/dbraw/zinc/13/71/37/631137137.db2.gz BBTQDBNSVMMHHM-AXFHLTTASA-N 1 1 195.306 2.086 10 0 AEAEMO CC(C)CC[N@@H+]1CCCC(=O)[C@H]1C 932858868 631137153 /nfs/dbraw/zinc/13/71/53/631137153.db2.gz IJXVCZTYXUBZPG-SNVBAGLBSA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)CC[N@H+]1CCCC(=O)[C@H]1C 932858868 631137155 /nfs/dbraw/zinc/13/71/55/631137155.db2.gz IJXVCZTYXUBZPG-SNVBAGLBSA-N 1 1 183.295 2.086 10 0 AEAEMO C[C@@H]1C(=O)CCC[N@@H+]1CC1CCCC1 932848257 631137258 /nfs/dbraw/zinc/13/72/58/631137258.db2.gz SYBQENQYJLWMOI-SNVBAGLBSA-N 1 1 195.306 2.230 10 0 AEAEMO CC(C)CCC[N@@H+]1CCCC(=O)[C@H]1C 932849368 631137351 /nfs/dbraw/zinc/13/73/51/631137351.db2.gz OYFIEHBNNCMFCF-LLVKDONJSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(C)CCC[N@H+]1CCCC(=O)[C@H]1C 932849368 631137355 /nfs/dbraw/zinc/13/73/55/631137355.db2.gz OYFIEHBNNCMFCF-LLVKDONJSA-N 1 1 197.322 2.476 10 0 AEAEMO C[C@H]1C(=O)CCC[N@@H+]1CC1CC=CC1 932847539 631137366 /nfs/dbraw/zinc/13/73/66/631137366.db2.gz XUBPBEULJLXZDS-JTQLQIEISA-N 1 1 193.290 2.006 10 0 AEAEMO CC[C@H](C)C[N@@H+]1CCCC(=O)[C@@H]1C 932848697 631137606 /nfs/dbraw/zinc/13/76/06/631137606.db2.gz VJDHKEOBWXQULP-UWVGGRQHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCCC(=O)[C@@H]1C 932848697 631137608 /nfs/dbraw/zinc/13/76/08/631137608.db2.gz VJDHKEOBWXQULP-UWVGGRQHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@@H](C)C[N@@H+]1CCCC(=O)[C@H]1C 932848695 631137893 /nfs/dbraw/zinc/13/78/93/631137893.db2.gz VJDHKEOBWXQULP-NXEZZACHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@@H](C)C[N@H+]1CCCC(=O)[C@H]1C 932848695 631137897 /nfs/dbraw/zinc/13/78/97/631137897.db2.gz VJDHKEOBWXQULP-NXEZZACHSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@H](C)C[N@@H+]1CCCC(=O)[C@H]1C 932848698 631137903 /nfs/dbraw/zinc/13/79/03/631137903.db2.gz VJDHKEOBWXQULP-VHSXEESVSA-N 1 1 183.295 2.086 10 0 AEAEMO CC[C@H](C)C[N@H+]1CCCC(=O)[C@H]1C 932848698 631137909 /nfs/dbraw/zinc/13/79/09/631137909.db2.gz VJDHKEOBWXQULP-VHSXEESVSA-N 1 1 183.295 2.086 10 0 AEAEMO FCC[N@@H+]1CCC[C@@H]1c1cccnc1 36448480 631137970 /nfs/dbraw/zinc/13/79/70/631137970.db2.gz FDSGUVVGURFHME-LLVKDONJSA-N 1 1 194.253 2.188 10 0 AEAEMO CC[C@@H]1C[C@H]1C[N@@H+]1CC(=O)CC[C@H]1C 932876264 631138150 /nfs/dbraw/zinc/13/81/50/631138150.db2.gz BBTQDBNSVMMHHM-MXWKQRLJSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@@H]1C[C@H]1C[N@H+]1CC(=O)CC[C@H]1C 932876264 631138154 /nfs/dbraw/zinc/13/81/54/631138154.db2.gz BBTQDBNSVMMHHM-MXWKQRLJSA-N 1 1 195.306 2.086 10 0 AEAEMO FCC[N@@H+]1CCC[C@H]1c1cccnc1 36448479 631138193 /nfs/dbraw/zinc/13/81/93/631138193.db2.gz FDSGUVVGURFHME-NSHDSACASA-N 1 1 194.253 2.188 10 0 AEAEMO FCC[N@H+]1CCC[C@H]1c1cccnc1 36448479 631138196 /nfs/dbraw/zinc/13/81/96/631138196.db2.gz FDSGUVVGURFHME-NSHDSACASA-N 1 1 194.253 2.188 10 0 AEAEMO CCCCC[N@@H+]1CC(=O)CC[C@H]1C 932870562 631138240 /nfs/dbraw/zinc/13/82/40/631138240.db2.gz LKAYMELEQHYORB-SNVBAGLBSA-N 1 1 183.295 2.230 10 0 AEAEMO CCCCC[N@H+]1CC(=O)CC[C@H]1C 932870562 631138242 /nfs/dbraw/zinc/13/82/42/631138242.db2.gz LKAYMELEQHYORB-SNVBAGLBSA-N 1 1 183.295 2.230 10 0 AEAEMO CC[C@@H]1C[C@H]1C[N@@H+]1CCCC(=O)[C@H]1C 932846697 631138259 /nfs/dbraw/zinc/13/82/59/631138259.db2.gz UXLAGGZJAFNSNK-MXWKQRLJSA-N 1 1 195.306 2.086 10 0 AEAEMO CC[C@@H]1C[C@H]1C[N@H+]1CCCC(=O)[C@H]1C 932846697 631138261 /nfs/dbraw/zinc/13/82/61/631138261.db2.gz UXLAGGZJAFNSNK-MXWKQRLJSA-N 1 1 195.306 2.086 10 0 AEAEMO CC(C)CCC[N@@H+]1CCCC(=O)[C@@H]1C 932849369 631138351 /nfs/dbraw/zinc/13/83/51/631138351.db2.gz OYFIEHBNNCMFCF-NSHDSACASA-N 1 1 197.322 2.476 10 0 AEAEMO CC(C)CCC[N@H+]1CCCC(=O)[C@@H]1C 932849369 631138353 /nfs/dbraw/zinc/13/83/53/631138353.db2.gz OYFIEHBNNCMFCF-NSHDSACASA-N 1 1 197.322 2.476 10 0 AEAEMO CC(C)CC[N@@H+]1CCCC(=O)[C@@H]1C 932858867 631138391 /nfs/dbraw/zinc/13/83/91/631138391.db2.gz IJXVCZTYXUBZPG-JTQLQIEISA-N 1 1 183.295 2.086 10 0 AEAEMO CC(C)CC[N@H+]1CCCC(=O)[C@@H]1C 932858867 631138392 /nfs/dbraw/zinc/13/83/92/631138392.db2.gz IJXVCZTYXUBZPG-JTQLQIEISA-N 1 1 183.295 2.086 10 0 AEAEMO CCO[C@H]1CC[N@@H+](CC2=CCCC2)C1 932969896 631139115 /nfs/dbraw/zinc/13/91/15/631139115.db2.gz DDPXJEWDBGKZLB-LBPRGKRZSA-N 1 1 195.306 2.208 10 0 AEAEMO CO[C@@H]1CC[C@H]1[N@@H+](C)CC1CC=CC1 934104936 631143439 /nfs/dbraw/zinc/14/34/39/631143439.db2.gz AGVNNIBPODLXFW-VXGBXAGGSA-N 1 1 195.306 2.062 10 0 AEAEMO CC[C@@H]1C[C@H]1C[N@@H+](C)[C@H]1CC[C@H]1OC 934107176 631142387 /nfs/dbraw/zinc/14/23/87/631142387.db2.gz WIEFLLHMAQGSAG-NOOOWODRSA-N 1 1 197.322 2.142 10 0 AEAEMO C=C/C=C\CC[N@H+](C)[C@@H]1CC[C@H]1OC 934104186 631142492 /nfs/dbraw/zinc/14/24/92/631142492.db2.gz ILAKQXYAZHAJAL-GKKDLHFNSA-N 1 1 195.306 2.228 10 0 AEAEMO CC[C@@H]1C[C@H]1C[N@@H+](C)[C@@H]1CC[C@@H]1OC 934107175 631142917 /nfs/dbraw/zinc/14/29/17/631142917.db2.gz WIEFLLHMAQGSAG-KXNHARMFSA-N 1 1 197.322 2.142 10 0 AEAEMO C=C/C=C\CC[N@H+](C)[C@@H]1CC[C@@H]1OC 934104185 631142942 /nfs/dbraw/zinc/14/29/42/631142942.db2.gz ILAKQXYAZHAJAL-DUVUQDDDSA-N 1 1 195.306 2.228 10 0 AEAEMO CC[C@@H]1C[C@H]1C[N@@H+](C)[C@@H]1CC[C@H]1OC 934107178 631143088 /nfs/dbraw/zinc/14/30/88/631143088.db2.gz WIEFLLHMAQGSAG-WRWGMCAJSA-N 1 1 197.322 2.142 10 0 AEAEMO CO[C@H]1CC[C@@H]1[N@@H+](C)CC1CC=CC1 934104934 631143111 /nfs/dbraw/zinc/14/31/11/631143111.db2.gz AGVNNIBPODLXFW-RYUDHWBXSA-N 1 1 195.306 2.062 10 0 AEAEMO CC[C@@H]1C[C@H]1C[N@@H+](C)[C@H]1CC[C@@H]1OC 934107177 631143485 /nfs/dbraw/zinc/14/34/85/631143485.db2.gz WIEFLLHMAQGSAG-RHYQMDGZSA-N 1 1 197.322 2.142 10 0 AEAEMO CO[C@H]1CC[C@H]1[N@@H+](C)CC1CC=CC1 934104931 631143497 /nfs/dbraw/zinc/14/34/97/631143497.db2.gz AGVNNIBPODLXFW-NEPJUHHUSA-N 1 1 195.306 2.062 10 0 AEAEMO C=C/C=C/CC[N@H+](C)[C@@H]1CC[C@H]1OC 934104187 631143525 /nfs/dbraw/zinc/14/35/25/631143525.db2.gz ILAKQXYAZHAJAL-IEVRTODYSA-N 1 1 195.306 2.228 10 0 AEAEMO CO[C@@H]1CC[C@@H]1[N@@H+](C)CC1CC=CC1 934104932 631143791 /nfs/dbraw/zinc/14/37/91/631143791.db2.gz AGVNNIBPODLXFW-NWDGAFQWSA-N 1 1 195.306 2.062 10 0 AEAEMO C=C/C=C/CC[N@H+](C)[C@@H]1CC[C@@H]1OC 934104184 631143876 /nfs/dbraw/zinc/14/38/76/631143876.db2.gz ILAKQXYAZHAJAL-AIIUZBJTSA-N 1 1 195.306 2.228 10 0 AEAEMO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@H]1C=CCCC1 934123088 631144352 /nfs/dbraw/zinc/14/43/52/631144352.db2.gz ASAFNOMUIVUDJB-SDDRHHMPSA-N 1 1 195.306 2.204 10 0 AEAEMO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@@H]1C=CCCC1 934123085 631144556 /nfs/dbraw/zinc/14/45/56/631144556.db2.gz ASAFNOMUIVUDJB-GRYCIOLGSA-N 1 1 195.306 2.204 10 0 AEAEMO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@@H](C)C(C)C 934110390 631144586 /nfs/dbraw/zinc/14/45/86/631144586.db2.gz ZOSWMYIRSLUNHN-GARJFASQSA-N 1 1 185.311 2.140 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@H]1CC[C@@H]1OC 934114303 631144700 /nfs/dbraw/zinc/14/47/00/631144700.db2.gz SDNVOQFVEWPYDX-AXFHLTTASA-N 1 1 185.311 2.284 10 0 AEAEMO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@H](C)C(C)C 934110394 631144796 /nfs/dbraw/zinc/14/47/96/631144796.db2.gz ZOSWMYIRSLUNHN-OUAUKWLOSA-N 1 1 185.311 2.140 10 0 AEAEMO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@@H]1C=CCCC1 934123086 631144982 /nfs/dbraw/zinc/14/49/82/631144982.db2.gz ASAFNOMUIVUDJB-IJLUTSLNSA-N 1 1 195.306 2.204 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@H]1CC[C@@H]1OC 934114304 631145076 /nfs/dbraw/zinc/14/50/76/631145076.db2.gz SDNVOQFVEWPYDX-DCAQKATOSA-N 1 1 185.311 2.284 10 0 AEAEMO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@H](C)C(C)C 934110391 631145117 /nfs/dbraw/zinc/14/51/17/631145117.db2.gz ZOSWMYIRSLUNHN-GMTAPVOTSA-N 1 1 185.311 2.140 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@@H]1CC[C@H]1OC 934114306 631145155 /nfs/dbraw/zinc/14/51/55/631145155.db2.gz SDNVOQFVEWPYDX-HBNTYKKESA-N 1 1 185.311 2.284 10 0 AEAEMO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@@H](C)C(C)C 934110392 631145363 /nfs/dbraw/zinc/14/53/63/631145363.db2.gz ZOSWMYIRSLUNHN-HBNTYKKESA-N 1 1 185.311 2.140 10 0 AEAEMO CCC[C@H](C)[N@@H+](C)[C@H]1CC[C@H]1OC 934114305 631145398 /nfs/dbraw/zinc/14/53/98/631145398.db2.gz SDNVOQFVEWPYDX-GARJFASQSA-N 1 1 185.311 2.284 10 0 AEAEMO CCCCC1([NH2+]Cc2ccn[nH]2)CC1 934203884 631145557 /nfs/dbraw/zinc/14/55/57/631145557.db2.gz WEHQRQCTJIYXRH-UHFFFAOYSA-N 1 1 193.294 2.222 10 0 AEAEMO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@H]1C=CCCC1 934123087 631145478 /nfs/dbraw/zinc/14/54/78/631145478.db2.gz ASAFNOMUIVUDJB-QJPTWQEYSA-N 1 1 195.306 2.204 10 0 AEAEMO C1C[C@H]2CC[N@H+](C[C@H]3CCCO3)[C@H]2C1 934339313 631146010 /nfs/dbraw/zinc/14/60/10/631146010.db2.gz MZZSTPLMPCPJKT-TUAOUCFPSA-N 1 1 195.306 2.040 10 0 AEAEMO C1C[C@H]2CC[N@H+](CCOC3CC3)[C@H]2C1 934338236 631146342 /nfs/dbraw/zinc/14/63/42/631146342.db2.gz XHWWPFZQMYAGMH-JQWIXIFHSA-N 1 1 195.306 2.040 10 0 AEAEMO c1ccc(C[N@H+]2CC[C@H]3C[C@H]32)cc1 80228686 631156403 /nfs/dbraw/zinc/15/64/03/631156403.db2.gz JNTXVUMGVWWTGR-NWDGAFQWSA-N 1 1 173.259 2.281 10 0 AEAEMO CC(C)C[C@H](N)C[NH2+][C@@H]1CC[C@H](C)C1 253263047 631166908 /nfs/dbraw/zinc/16/69/08/631166908.db2.gz ISAIIAPEBZOVPQ-SDDRHHMPSA-N 1 1 198.354 2.138 10 0 AEAEMO CC(C)C[C@H](N)C[NH2+][C@H]1CC[C@H](C)C1 253263048 631167313 /nfs/dbraw/zinc/16/73/13/631167313.db2.gz ISAIIAPEBZOVPQ-SRVKXCTJSA-N 1 1 198.354 2.138 10 0 AEAEMO C[C@H]1CC2(CCC2)C[N@H+]1CCF 306211462 631168634 /nfs/dbraw/zinc/16/86/34/631168634.db2.gz PXAKOEQGMLUNQQ-VIFPVBQESA-N 1 1 171.259 2.220 10 0 AEAEMO C[C@@H]1CC2(CCC2)C[N@H+]1CCF 306211461 631168922 /nfs/dbraw/zinc/16/89/22/631168922.db2.gz PXAKOEQGMLUNQQ-SECBINFHSA-N 1 1 171.259 2.220 10 0 AEAEMO CC1=CCC[N@@H+](Cc2ccoc2)C1 306259035 631168988 /nfs/dbraw/zinc/16/89/88/631168988.db2.gz JBXBGNTWCXNZCA-UHFFFAOYSA-N 1 1 177.247 2.432 10 0 AEAEMO Cl/C=C(/Cl)C[NH+]1CCCC1 306263061 631169572 /nfs/dbraw/zinc/16/95/72/631169572.db2.gz BVTBFTUKRVEFMV-FNORWQNLSA-N 1 1 180.078 2.401 10 0 AEAEMO CC1(C)CC[N@H+]1C[C@H]1CCC=CO1 306269437 631169726 /nfs/dbraw/zinc/16/97/26/631169726.db2.gz MLLITKHOAMSZMI-SNVBAGLBSA-N 1 1 181.279 2.163 10 0 AEAEMO CC[N@@H+](C)Cc1ccc(Cl)cn1 306288771 631169883 /nfs/dbraw/zinc/16/98/83/631169883.db2.gz NANLEDRNPJRDME-UHFFFAOYSA-N 1 1 184.670 2.187 10 0 AEAEMO CCc1[nH+]ccn1CCCCC(C)=O 42419993 1224168940 /nfs/dbraw/zinc/16/89/40/1224168940.db2.gz IDICPBPDULFOFP-UHFFFAOYSA-N 1 1 194.278 2.205 10 0 AEAEMO CC(C)CCC[N@@H+]1CCN[C@@H](C)CC1 62097622 1224171105 /nfs/dbraw/zinc/17/11/05/1224171105.db2.gz DUTBCTNSHOHKTP-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)CCC[N@H+]1CCN[C@@H](C)CC1 62097622 1224171108 /nfs/dbraw/zinc/17/11/08/1224171108.db2.gz DUTBCTNSHOHKTP-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)CCCN1CC[NH2+][C@@H](C)CC1 62097622 1224171111 /nfs/dbraw/zinc/17/11/11/1224171111.db2.gz DUTBCTNSHOHKTP-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)CCC[N@@H+]1CCN[C@H](C)CC1 62097619 1224171273 /nfs/dbraw/zinc/17/12/73/1224171273.db2.gz DUTBCTNSHOHKTP-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)CCC[N@H+]1CCN[C@H](C)CC1 62097619 1224171275 /nfs/dbraw/zinc/17/12/75/1224171275.db2.gz DUTBCTNSHOHKTP-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)CCCN1CC[NH2+][C@H](C)CC1 62097619 1224171277 /nfs/dbraw/zinc/17/12/77/1224171277.db2.gz DUTBCTNSHOHKTP-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)CCC[N@H+]1CCC(=O)C[C@H]1C 62097956 1224171508 /nfs/dbraw/zinc/17/15/08/1224171508.db2.gz ZILHDHNWTPRHHL-LLVKDONJSA-N 1 1 197.322 2.476 10 0 AEAEMO CC(C)c1ccc2nc(C[NH3+])[nH]c2c1 62152745 1224171753 /nfs/dbraw/zinc/17/17/53/1224171753.db2.gz PNLFPCDQHIXSDL-UHFFFAOYSA-N 1 1 189.262 2.145 10 0 AEAEMO CC(C)CCC[N@H+]1CCC(=O)C[C@@H]1C 62097958 1224171905 /nfs/dbraw/zinc/17/19/05/1224171905.db2.gz ZILHDHNWTPRHHL-NSHDSACASA-N 1 1 197.322 2.476 10 0 AEAEMO CCCCCCN1CC[NH2+][C@@H](C)CC1 62568406 1224172527 /nfs/dbraw/zinc/17/25/27/1224172527.db2.gz JOOJUYXJHJTMGV-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCC[N@@H+]1CCN[C@@H](C)CC1 62568406 1224172532 /nfs/dbraw/zinc/17/25/32/1224172532.db2.gz JOOJUYXJHJTMGV-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCC[N@H+]1CCN[C@@H](C)CC1 62568406 1224172536 /nfs/dbraw/zinc/17/25/36/1224172536.db2.gz JOOJUYXJHJTMGV-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCC[N@@H+]1CCCNC[C@@H]1C 62568370 1224172559 /nfs/dbraw/zinc/17/25/59/1224172559.db2.gz OCDRFVIJSFNJFI-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCC[N@H+]1CCCNC[C@@H]1C 62568370 1224172562 /nfs/dbraw/zinc/17/25/62/1224172562.db2.gz OCDRFVIJSFNJFI-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCCN1CCC[NH2+]C[C@@H]1C 62568370 1224172569 /nfs/dbraw/zinc/17/25/69/1224172569.db2.gz OCDRFVIJSFNJFI-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCC[N@@H+]1CCCN[C@@H](C)C1 62568390 1224172664 /nfs/dbraw/zinc/17/26/64/1224172664.db2.gz BSMNCVIXVRBHHI-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCC[N@H+]1CCCN[C@@H](C)C1 62568390 1224172668 /nfs/dbraw/zinc/17/26/68/1224172668.db2.gz BSMNCVIXVRBHHI-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCCN1CCC[NH2+][C@@H](C)C1 62568390 1224172673 /nfs/dbraw/zinc/17/26/73/1224172673.db2.gz BSMNCVIXVRBHHI-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCC[N@H+]1CCNCC[C@@H]1C 62568402 1224172707 /nfs/dbraw/zinc/17/27/07/1224172707.db2.gz GDJHVYRRBJTHIL-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCCN1CC[NH2+]CC[C@@H]1C 62568402 1224172709 /nfs/dbraw/zinc/17/27/09/1224172709.db2.gz GDJHVYRRBJTHIL-LBPRGKRZSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCCN1CC[NH2+][C@H](C)CC1 62568407 1224172826 /nfs/dbraw/zinc/17/28/26/1224172826.db2.gz JOOJUYXJHJTMGV-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCC[N@@H+]1CCN[C@H](C)CC1 62568407 1224172828 /nfs/dbraw/zinc/17/28/28/1224172828.db2.gz JOOJUYXJHJTMGV-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCC[N@H+]1CCN[C@H](C)CC1 62568407 1224172831 /nfs/dbraw/zinc/17/28/31/1224172831.db2.gz JOOJUYXJHJTMGV-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCC[N@H+]1CCNCC[C@H]1C 62568404 1224173034 /nfs/dbraw/zinc/17/30/34/1224173034.db2.gz GDJHVYRRBJTHIL-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO CCCCCCN1CC[NH2+]CC[C@H]1C 62568404 1224173039 /nfs/dbraw/zinc/17/30/39/1224173039.db2.gz GDJHVYRRBJTHIL-GFCCVEGCSA-N 1 1 198.354 2.251 10 0 AEAEMO C[N@H+]1CCC[C@H](Oc2ccccc2)C1 67175861 1224174464 /nfs/dbraw/zinc/17/44/64/1224174464.db2.gz ZDRSBLWRKCVNAM-LBPRGKRZSA-N 1 1 191.274 2.160 10 0 AEAEMO CCCC[C@H](CC)[N@H+]1CCC[C@H](N)C1 68988941 1224175189 /nfs/dbraw/zinc/17/51/89/1224175189.db2.gz RWYFCYXVWABKAP-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@H](CC)N1CCC[C@H]([NH3+])C1 68988941 1224175194 /nfs/dbraw/zinc/17/51/94/1224175194.db2.gz RWYFCYXVWABKAP-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO Cc1ccc(C(F)(F)C[NH3+])cc1 95774106 1224181963 /nfs/dbraw/zinc/18/19/63/1224181963.db2.gz HHQRZRVDNXWWJX-UHFFFAOYSA-N 1 1 171.190 2.046 10 0 AEAEMO CC[N@@H+](C)CCc1cccc(OC)c1 143099473 1224187036 /nfs/dbraw/zinc/18/70/36/1224187036.db2.gz NUQHGWDWSQSUAP-UHFFFAOYSA-N 1 1 193.290 2.189 10 0 AEAEMO CC[N@@H+](CCF)C(C)(C)C 146565509 1224188820 /nfs/dbraw/zinc/18/88/20/1224188820.db2.gz BDVNXMGADYYOAK-UHFFFAOYSA-N 1 1 147.237 2.076 10 0 AEAEMO C[C@]1(O)CCC[N@H+](C2CCCCC2)C1 161291857 1224192913 /nfs/dbraw/zinc/19/29/13/1224192913.db2.gz UWWMWTJDOLWHMC-LBPRGKRZSA-N 1 1 197.322 2.166 10 0 AEAEMO C[C@@]1(O)CCC[N@H+](C2CCCCC2)C1 161291973 1224192948 /nfs/dbraw/zinc/19/29/48/1224192948.db2.gz UWWMWTJDOLWHMC-GFCCVEGCSA-N 1 1 197.322 2.166 10 0 AEAEMO CC(C)CCC[N@H+]1CCNCC[C@@H]1C 166231740 1224197670 /nfs/dbraw/zinc/19/76/70/1224197670.db2.gz BKDZQHICECYIIU-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)CCCN1CC[NH2+]CC[C@@H]1C 166231740 1224197675 /nfs/dbraw/zinc/19/76/75/1224197675.db2.gz BKDZQHICECYIIU-LBPRGKRZSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)CCC[N@H+]1CCNCC[C@H]1C 166231625 1224197905 /nfs/dbraw/zinc/19/79/05/1224197905.db2.gz BKDZQHICECYIIU-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC(C)CCCN1CC[NH2+]CC[C@H]1C 166231625 1224197908 /nfs/dbraw/zinc/19/79/08/1224197908.db2.gz BKDZQHICECYIIU-GFCCVEGCSA-N 1 1 198.354 2.106 10 0 AEAEMO CC[N@@H+](CCN)C1C[C@H](C)C[C@@H](C)C1 220206423 1224223749 /nfs/dbraw/zinc/22/37/49/1224223749.db2.gz OXQSERRLGCQZTI-GHMZBOCLSA-N 1 1 198.354 2.092 10 0 AEAEMO CCCC(CCC)[NH2+]Cc1ncon1 231781872 1224231993 /nfs/dbraw/zinc/23/19/93/1224231993.db2.gz ZXQOVACVYHHNGV-UHFFFAOYSA-N 1 1 197.282 2.128 10 0 AEAEMO CCC[C@H](CC)[NH2+]C[C@@H]1CCN(C)C1 231788478 1224232179 /nfs/dbraw/zinc/23/21/79/1224232179.db2.gz LELRDBNZQBJXTM-RYUDHWBXSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCC[C@@H](C)[NH2+]Cc1ncon1 231779782 1224232280 /nfs/dbraw/zinc/23/22/80/1224232280.db2.gz OEXNQZDUNMXZQO-SECBINFHSA-N 1 1 197.282 2.128 10 0 AEAEMO CCC[C@@H](CC)[NH2+]C[C@@H]1CCN(C)C1 231788475 1224232329 /nfs/dbraw/zinc/23/23/29/1224232329.db2.gz LELRDBNZQBJXTM-NWDGAFQWSA-N 1 1 198.354 2.106 10 0 AEAEMO CCC[C@@H](CC)[NH2+]C[C@H]1CCN(C)C1 231788480 1224232572 /nfs/dbraw/zinc/23/25/72/1224232572.db2.gz LELRDBNZQBJXTM-VXGBXAGGSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCC[C@H](CC)[NH2+]Cc1ncon1 231775858 1224232629 /nfs/dbraw/zinc/23/26/29/1224232629.db2.gz CVSMJHYSWNAFNY-VIFPVBQESA-N 1 1 197.282 2.128 10 0 AEAEMO CCCC[C@@H](CC)[NH2+]Cc1ncon1 231775856 1224232874 /nfs/dbraw/zinc/23/28/74/1224232874.db2.gz CVSMJHYSWNAFNY-SECBINFHSA-N 1 1 197.282 2.128 10 0 AEAEMO CCC[C@H](CC)[NH2+]C[C@H]1CCN(C)C1 231788483 1224232921 /nfs/dbraw/zinc/23/29/21/1224232921.db2.gz LELRDBNZQBJXTM-NEPJUHHUSA-N 1 1 198.354 2.106 10 0 AEAEMO CCCCC[C@H](C)[NH2+]Cc1ncon1 231779784 1224232974 /nfs/dbraw/zinc/23/29/74/1224232974.db2.gz OEXNQZDUNMXZQO-VIFPVBQESA-N 1 1 197.282 2.128 10 0 AEAEMO CC(C)(Nc1ccc(N)[nH+]c1)C1CC1 232536425 1224233290 /nfs/dbraw/zinc/23/32/90/1224233290.db2.gz DHPYEEIVAJMUQE-UHFFFAOYSA-N 1 1 191.278 2.264 10 0 AEAEMO C[C@@H]1CCC[C@@H](C)[NH+]1[C@H]1CCCNC1 252668692 1224240242 /nfs/dbraw/zinc/24/02/42/1224240242.db2.gz ZNNVSLRSXBBOSV-UTUOFQBUSA-N 1 1 196.338 2.001 10 0 AEAEMO CCCC[C@H](CC)[N@H+]1CCC[C@H]1CN 252684105 1224240344 /nfs/dbraw/zinc/24/03/44/1224240344.db2.gz FVBWMBKKPQFWIK-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@H](C)[N@H+]1CCC[C@H]1CN 252681744 1224240471 /nfs/dbraw/zinc/24/04/71/1224240471.db2.gz AWUOFJSTWVDJPK-RYUDHWBXSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCCC[C@@H](C)[N@H+]1CCC[C@H]1CN 252681743 1224240512 /nfs/dbraw/zinc/24/05/12/1224240512.db2.gz AWUOFJSTWVDJPK-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO CCCC[C@@H](CC)[N@H+]1CCC[C@H]1CN 252684104 1224240555 /nfs/dbraw/zinc/24/05/55/1224240555.db2.gz FVBWMBKKPQFWIK-NEPJUHHUSA-N 1 1 198.354 2.378 10 0 AEAEMO O=C1CCC[N@H+](C2CCCCC2)CC1 257862275 1224242418 /nfs/dbraw/zinc/24/24/18/1224242418.db2.gz RDFGTZKFTAJYMG-UHFFFAOYSA-N 1 1 195.306 2.374 10 0 AEAEMO CC[C@H]1CCC[N@H+]1Cc1ccc[nH]1 306196706 1224246953 /nfs/dbraw/zinc/24/69/53/1224246953.db2.gz WFRSPQZOJKMCLM-NSHDSACASA-N 1 1 178.279 2.389 10 0 AEAEMO CC[C@@H]1CCC[N@H+]1Cc1ccc[nH]1 306196705 1224247275 /nfs/dbraw/zinc/24/72/75/1224247275.db2.gz WFRSPQZOJKMCLM-LLVKDONJSA-N 1 1 178.279 2.389 10 0 AEAEMO C1C[C@@H]2C[N@@H+]([C@@H]3CCSC3)C[C@@H]2C1 306264502 1224249056 /nfs/dbraw/zinc/24/90/56/1224249056.db2.gz FJCLZGIUWKHLPA-OUAUKWLOSA-N 1 1 197.347 2.224 10 0 AEAEMO C1C[C@@H]2C[N@@H+]([C@H]3CCSC3)C[C@@H]2C1 306264493 1224249724 /nfs/dbraw/zinc/24/97/24/1224249724.db2.gz FJCLZGIUWKHLPA-AXFHLTTASA-N 1 1 197.347 2.224 10 0 AEAEMO FCC[N@H+]1CCC[C@@H](C2CC2)C1 306303366 1224253072 /nfs/dbraw/zinc/25/30/72/1224253072.db2.gz CTDFTMJVZPEHEU-SNVBAGLBSA-N 1 1 171.259 2.078 10 0 AEAEMO CC1(C)[C@H]2C[N@H+]([C@@H]3CCSC3)C[C@H]21 306341168 1224255576 /nfs/dbraw/zinc/25/55/76/1224255576.db2.gz LPNHMVWCILTCON-BBBLOLIVSA-N 1 1 197.347 2.080 10 0 AEAEMO CC1(C)[C@H]2C[N@H+]([C@H]3CCSC3)C[C@H]21 306341174 1224255694 /nfs/dbraw/zinc/25/56/94/1224255694.db2.gz LPNHMVWCILTCON-LPEHRKFASA-N 1 1 197.347 2.080 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@@H]1CCSC1 306430551 1224258258 /nfs/dbraw/zinc/25/82/58/1224258258.db2.gz YCNRQZHLGMXWTC-DTWKUNHWSA-N 1 1 173.325 2.222 10 0 AEAEMO CC[C@H](C)[N@@H+](C)[C@H]1CCSC1 306430553 1224258445 /nfs/dbraw/zinc/25/84/45/1224258445.db2.gz YCNRQZHLGMXWTC-IUCAKERBSA-N 1 1 173.325 2.222 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)[C@@H]1CCSC1 306430554 1224258561 /nfs/dbraw/zinc/25/85/61/1224258561.db2.gz YCNRQZHLGMXWTC-RKDXNWHRSA-N 1 1 173.325 2.222 10 0 AEAEMO CC1(C)C[N@@H+](CCF)C1(C)C 306429755 1224258635 /nfs/dbraw/zinc/25/86/35/1224258635.db2.gz GBSMHSWJQVNBTP-UHFFFAOYSA-N 1 1 159.248 2.076 10 0 AEAEMO CC[C@@H](C)[N@@H+](C)[C@H]1CCSC1 306430550 1224258672 /nfs/dbraw/zinc/25/86/72/1224258672.db2.gz YCNRQZHLGMXWTC-BDAKNGLRSA-N 1 1 173.325 2.222 10 0 AEAEMO CC(C)[N@@H+](C)CC1(C)CCOCC1 306440662 1224259217 /nfs/dbraw/zinc/25/92/17/1224259217.db2.gz IGEJRPJZXQCHMP-UHFFFAOYSA-N 1 1 185.311 2.143 10 0 AEAEMO CCC[C@H](C)[N@H+]1CCOCC1(C)C 306440322 1224259267 /nfs/dbraw/zinc/25/92/67/1224259267.db2.gz HTBUSAGREWZOIB-JTQLQIEISA-N 1 1 185.311 2.286 10 0 AEAEMO CCC[C@@H](C)[N@H+]1CCOCC1(C)C 306440323 1224260038 /nfs/dbraw/zinc/26/00/38/1224260038.db2.gz HTBUSAGREWZOIB-SNVBAGLBSA-N 1 1 185.311 2.286 10 0 AEAEMO C1CC(C[N@H+]2CCC[C@@H]3C[C@@H]32)C1 306445862 1224260873 /nfs/dbraw/zinc/26/08/73/1224260873.db2.gz TYUKJTJNKJACGT-MNOVXSKESA-N 1 1 165.280 2.271 10 0 AEAEMO C[N@@H+](CC1CC1)C1CCSCC1 306463456 1224261252 /nfs/dbraw/zinc/26/12/52/1224261252.db2.gz HEMCSDVYMSIIHR-UHFFFAOYSA-N 1 1 185.336 2.224 10 0 AEAEMO CC[C@H](C)[N@@H+](CC)C1CC1 306473064 1224261873 /nfs/dbraw/zinc/26/18/73/1224261873.db2.gz HELYCWXJYPBKKU-QMMMGPOBSA-N 1 1 141.258 2.269 10 0 AEAEMO CC[C@@H](C)[N@@H+](CC)C1CC1 306473063 1224261912 /nfs/dbraw/zinc/26/19/12/1224261912.db2.gz HELYCWXJYPBKKU-MRVPVSSYSA-N 1 1 141.258 2.269 10 0 AEAEMO CCC(CC)[N@H+]1CCC[C@@H](O)CC1 306509291 1224262965 /nfs/dbraw/zinc/26/29/65/1224262965.db2.gz BISKNUPUCBBBTM-LLVKDONJSA-N 1 1 185.311 2.022 10 0 AEAEMO CCC(CC)[N@H+]1CCC[C@H](O)CC1 306509292 1224262987 /nfs/dbraw/zinc/26/29/87/1224262987.db2.gz BISKNUPUCBBBTM-NSHDSACASA-N 1 1 185.311 2.022 10 0 AEAEMO CC(C)C[N@@H+](C)[C@@H]1CCCOCC1 306509298 1224263008 /nfs/dbraw/zinc/26/30/08/1224263008.db2.gz BJVOIWADIPBOGI-LLVKDONJSA-N 1 1 185.311 2.143 10 0 AEAEMO CC(C)C[N@@H+](C)[C@H]1CCCOCC1 306509299 1224263045 /nfs/dbraw/zinc/26/30/45/1224263045.db2.gz BJVOIWADIPBOGI-NSHDSACASA-N 1 1 185.311 2.143 10 0 AEAEMO C[C@H]1CCCC[N@H+]1Cc1cnoc1 306525945 1224263737 /nfs/dbraw/zinc/26/37/37/1224263737.db2.gz SAROSYZUAXEDTB-VIFPVBQESA-N 1 1 180.251 2.049 10 0 AEAEMO C[C@@H]1CCCC[N@H+]1Cc1cnoc1 306525944 1224264263 /nfs/dbraw/zinc/26/42/63/1224264263.db2.gz SAROSYZUAXEDTB-SECBINFHSA-N 1 1 180.251 2.049 10 0 AEAEMO Cc1cncc(C[N@H+](C)C(C)C)c1 306538175 1224265701 /nfs/dbraw/zinc/26/57/01/1224265701.db2.gz OTEZZMODUIXNHQ-UHFFFAOYSA-N 1 1 178.279 2.230 10 0 AEAEMO CC1CC([N@H+](C)Cc2cscn2)C1 306535887 1224265750 /nfs/dbraw/zinc/26/57/50/1224265750.db2.gz JYCMZPBRAJRYPC-UHFFFAOYSA-N 1 1 196.319 2.373 10 0 AEAEMO CC1CC([N@@H+](C)Cc2cscn2)C1 306535887 1224265757 /nfs/dbraw/zinc/26/57/57/1224265757.db2.gz JYCMZPBRAJRYPC-UHFFFAOYSA-N 1 1 196.319 2.373 10 0 AEAEMO CC[C@@H](C)[N@H+]1CCC[C@H]1C(C)(C)O 306632854 1224268915 /nfs/dbraw/zinc/26/89/15/1224268915.db2.gz CPAVHUMQUGIMQP-ZJUUUORDSA-N 1 1 185.311 2.020 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC[C@@H]1C(C)(C)O 306632853 1224269244 /nfs/dbraw/zinc/26/92/44/1224269244.db2.gz CPAVHUMQUGIMQP-VHSXEESVSA-N 1 1 185.311 2.020 10 0 AEAEMO CCC(CC)[N@@H+](C)CCF 306641753 1224269337 /nfs/dbraw/zinc/26/93/37/1224269337.db2.gz RHLVMOGINVDXKH-UHFFFAOYSA-N 1 1 147.237 2.076 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC[C@H]1C(C)(C)O 306632851 1224269356 /nfs/dbraw/zinc/26/93/56/1224269356.db2.gz CPAVHUMQUGIMQP-UWVGGRQHSA-N 1 1 185.311 2.020 10 0 AEAEMO CC(C)(C)C[N@H+]1CCOCC1(C)C 306649410 1224270706 /nfs/dbraw/zinc/27/07/06/1224270706.db2.gz CTFDHDIXWRTEFZ-UHFFFAOYSA-N 1 1 185.311 2.143 10 0 AEAEMO C[C@H]1C[N@H+](C2CCCCCC2)C[C@H]1O 306758561 1224272494 /nfs/dbraw/zinc/27/24/94/1224272494.db2.gz UJDZIGYDCDAIKV-CMPLNLGQSA-N 1 1 197.322 2.022 10 0 AEAEMO C[C@H]1C[N@H+](C2CCCCCC2)C[C@@H]1O 306758562 1224272598 /nfs/dbraw/zinc/27/25/98/1224272598.db2.gz UJDZIGYDCDAIKV-JQWIXIFHSA-N 1 1 197.322 2.022 10 0 AEAEMO c1nc(C[N@@H+]2CCC[C@H]3C[C@H]32)cs1 306801803 1224273677 /nfs/dbraw/zinc/27/36/77/1224273677.db2.gz RXXDZQCDVXCPHS-WCBMZHEXSA-N 1 1 194.303 2.127 10 0 AEAEMO c1nc(C[N@H+]2CCC[C@H]3C[C@H]32)cs1 306801803 1224273685 /nfs/dbraw/zinc/27/36/85/1224273685.db2.gz RXXDZQCDVXCPHS-WCBMZHEXSA-N 1 1 194.303 2.127 10 0 AEAEMO CC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C2(C)C 307067254 1224275393 /nfs/dbraw/zinc/27/53/93/1224275393.db2.gz SMDDQQGUCTXHKV-BBBLOLIVSA-N 1 1 167.296 2.373 10 0 AEAEMO CC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C2(C)C 307067272 1224275475 /nfs/dbraw/zinc/27/54/75/1224275475.db2.gz SMDDQQGUCTXHKV-LPEHRKFASA-N 1 1 167.296 2.373 10 0 AEAEMO C1CCC([N@H+]2CCC[C@H]3C[C@H]32)C1 307107734 1224275979 /nfs/dbraw/zinc/27/59/79/1224275979.db2.gz ZNXCRBXGZASVJM-GXSJLCMTSA-N 1 1 165.280 2.413 10 0 AEAEMO CC[N@H+]1CCCC2(CCC2)C1 307187292 1224279494 /nfs/dbraw/zinc/27/94/94/1224279494.db2.gz VULNVQTXETUCTI-UHFFFAOYSA-N 1 1 153.269 2.272 10 0 AEAEMO C1C[C@H]2C[C@H]2[N@@H+](CCC2CC2)C1 307185573 1224279723 /nfs/dbraw/zinc/27/97/23/1224279723.db2.gz SGCHVAHQHUFZHV-WDEREUQCSA-N 1 1 165.280 2.271 10 0 AEAEMO CCC[C@H](C)[N@H+]1CC[C@H](O)C[C@@H]1C 307270089 1224281431 /nfs/dbraw/zinc/28/14/31/1224281431.db2.gz HMWYFUYKLLKVGC-DCAQKATOSA-N 1 1 185.311 2.020 10 0 AEAEMO C[C@H]1COCC[N@@H+](CC(C)(C)C)C1 307308024 1224282158 /nfs/dbraw/zinc/28/21/58/1224282158.db2.gz ZTPGNVWXSUVUGP-SNVBAGLBSA-N 1 1 185.311 2.001 10 0 AEAEMO C[C@@H]1COCC[N@@H+](CC(C)(C)C)C1 307308023 1224282242 /nfs/dbraw/zinc/28/22/42/1224282242.db2.gz ZTPGNVWXSUVUGP-JTQLQIEISA-N 1 1 185.311 2.001 10 0 AEAEMO C[C@@H]1CCC[C@H]([N@@H+]2C[C@@H](O)C[C@H]2C)C1 307466884 1224284094 /nfs/dbraw/zinc/28/40/94/1224284094.db2.gz OPDSSGNOGZOEFU-WYUUTHIRSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@@H]1CCC[C@H]([N@@H+]2C[C@H](O)C[C@H]2C)C1 307466883 1224284116 /nfs/dbraw/zinc/28/41/16/1224284116.db2.gz OPDSSGNOGZOEFU-WISYIIOYSA-N 1 1 197.322 2.020 10 0 AEAEMO C[C@H]1CCC[C@@H]([NH+]2CC(F)C2)C1 307514998 1224285510 /nfs/dbraw/zinc/28/55/10/1224285510.db2.gz GOSSALBNAWEGRO-WCBMZHEXSA-N 1 1 171.259 2.219 10 0 AEAEMO C[C@@H]1CCC[C@@H]([NH+]2CC(F)C2)C1 307514996 1224285718 /nfs/dbraw/zinc/28/57/18/1224285718.db2.gz GOSSALBNAWEGRO-PSASIEDQSA-N 1 1 171.259 2.219 10 0 AEAEMO CC[C@H](C)[N@H+]1CCC[C@H]2C[C@H]21 307513998 1224285809 /nfs/dbraw/zinc/28/58/09/1224285809.db2.gz FZMVGEXFZCXVCM-LPEHRKFASA-N 1 1 153.269 2.269 10 0 AEAEMO C[C@H]1CCC[C@H]([NH+]2CC(F)C2)C1 307514999 1224285904 /nfs/dbraw/zinc/28/59/04/1224285904.db2.gz GOSSALBNAWEGRO-WPRPVWTQSA-N 1 1 171.259 2.219 10 0 AEAEMO C[C@@H]1CCC[C@H]([NH+]2CC(F)C2)C1 307514997 1224286310 /nfs/dbraw/zinc/28/63/10/1224286310.db2.gz GOSSALBNAWEGRO-SCZZXKLOSA-N 1 1 171.259 2.219 10 0 AEAEMO CC(C)[N@@H+](C)C1C[C@H](C)O[C@@H](C)C1 307680481 1224290207 /nfs/dbraw/zinc/29/02/07/1224290207.db2.gz OPNMWKCZJBNLOV-UWVGGRQHSA-N 1 1 185.311 2.283 10 0 AEAEMO CC(C)[N@@H+](C)[C@H]1C[C@H](C)O[C@H](C)C1 307680479 1224290383 /nfs/dbraw/zinc/29/03/83/1224290383.db2.gz OPNMWKCZJBNLOV-JGPRNRPPSA-N 1 1 185.311 2.283 10 0 AEAEMO CC(C)[N@@H+](C)C1C[C@@H](C)O[C@H](C)C1 307680480 1224290440 /nfs/dbraw/zinc/29/04/40/1224290440.db2.gz OPNMWKCZJBNLOV-NXEZZACHSA-N 1 1 185.311 2.283 10 0 AEAEMO Cl/C=C(\Cl)C[NH+]1CCCC1 307770574 1224291861 /nfs/dbraw/zinc/29/18/61/1224291861.db2.gz BVTBFTUKRVEFMV-ALCCZGGFSA-N 1 1 180.078 2.401 10 0 AEAEMO CC/C=C\CC[N@@H+](C)CC 307787212 1224292067 /nfs/dbraw/zinc/29/20/67/1224292067.db2.gz OEERBYQPCWCDMD-SREVYHEPSA-N 1 1 141.258 2.294 10 0 AEAEMO CC(C)CCC[C@H](C)[N@@H+](C)CCO 308137017 1224295074 /nfs/dbraw/zinc/29/50/74/1224295074.db2.gz FZILSYCXSRWOGH-NSHDSACASA-N 1 1 187.327 2.125 10 0 AEAEMO CC(C)CCC[C@@H](C)[N@@H+](C)CCO 308137016 1224295237 /nfs/dbraw/zinc/29/52/37/1224295237.db2.gz FZILSYCXSRWOGH-LLVKDONJSA-N 1 1 187.327 2.125 10 0 AEAEMO CC(C)CC[C@@H](C)[N@@H+](C)C[C@H](C)N 308127751 1224295305 /nfs/dbraw/zinc/29/53/05/1224295305.db2.gz BYGDHBAPQLNSMX-WDEREUQCSA-N 1 1 186.343 2.090 10 0 AEAEMO CC(C)CC[C@@H](C)N(C)C[C@H](C)[NH3+] 308127751 1224295312 /nfs/dbraw/zinc/29/53/12/1224295312.db2.gz BYGDHBAPQLNSMX-WDEREUQCSA-N 1 1 186.343 2.090 10 0 AEAEMO CCCC[C@H](C)[N@@H+](C)C[C@H](C)C[NH3+] 308210237 1224296181 /nfs/dbraw/zinc/29/61/81/1224296181.db2.gz WAFQVSHNICKZMR-MNOVXSKESA-N 1 1 186.343 2.092 10 0 AEAEMO CCCC[C@@H](C)[N@@H+](C)C[C@@H](N)CC 308209094 1224296349 /nfs/dbraw/zinc/29/63/49/1224296349.db2.gz VMRSJZVEEYQGQR-MNOVXSKESA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[C@@H](C)N(C)C[C@@H]([NH3+])CC 308209094 1224296353 /nfs/dbraw/zinc/29/63/53/1224296353.db2.gz VMRSJZVEEYQGQR-MNOVXSKESA-N 1 1 186.343 2.234 10 0 AEAEMO CCCC[C@@H](C)[N@@H+](C)C[C@H](C)C[NH3+] 308210236 1224296751 /nfs/dbraw/zinc/29/67/51/1224296751.db2.gz WAFQVSHNICKZMR-GHMZBOCLSA-N 1 1 186.343 2.092 10 0 AEAEMO CCCC[N@@H+](CCC)CCN(C)C 308378182 1224299666 /nfs/dbraw/zinc/29/96/66/1224299666.db2.gz TVUJZSOUOFHNNO-UHFFFAOYSA-N 1 1 186.343 2.060 10 0 AEAEMO CCC[N@@H+](CC(C)(C)O)[C@@H](C)CC 308362768 1224299881 /nfs/dbraw/zinc/29/98/81/1224299881.db2.gz MURGIQHHRRZQRR-JTQLQIEISA-N 1 1 187.327 2.268 10 0 AEAEMO CCSC[C@H](C)[N@@H+](C)CCF 378933622 1224305251 /nfs/dbraw/zinc/30/52/51/1224305251.db2.gz YGGLYNPLNPSKGV-QMMMGPOBSA-N 1 1 179.304 2.029 10 0 AEAEMO CCC(CC)[N@@H+](C)C[C@H]1CCCO1 378874097 1224305496 /nfs/dbraw/zinc/30/54/96/1224305496.db2.gz VXKASMLLQDQCQJ-LLVKDONJSA-N 1 1 185.311 2.286 10 0 AEAEMO CCSC[C@@H](C)[N@@H+](C)CCF 378933621 1224305617 /nfs/dbraw/zinc/30/56/17/1224305617.db2.gz YGGLYNPLNPSKGV-MRVPVSSYSA-N 1 1 179.304 2.029 10 0 AEAEMO CCc1ccc(C[N@H+](C)CC)nc1 378943012 1224306727 /nfs/dbraw/zinc/30/67/27/1224306727.db2.gz JRWVISPPTRNODD-UHFFFAOYSA-N 1 1 178.279 2.096 10 0 AEAEMO CCC(CC)[N@@H+](C)Cc1ncc[nH]1 379372278 1224309162 /nfs/dbraw/zinc/30/91/62/1224309162.db2.gz JEGQCNLNGUOIBA-UHFFFAOYSA-N 1 1 181.283 2.030 10 0 AEAEMO CCCC[C@H](C)[N@H+]1CCCOCC1 379397799 1224312158 /nfs/dbraw/zinc/31/21/58/1224312158.db2.gz PNEUWQSRERUTKW-NSHDSACASA-N 1 1 185.311 2.287 10 0 AEAEMO C[N@H+](Cc1cncs1)CC1CCC1 379397952 1224312835 /nfs/dbraw/zinc/31/28/35/1224312835.db2.gz FBIPCJCUQDJZNW-UHFFFAOYSA-N 1 1 196.319 2.375 10 0 AEAEMO CCCC[C@@H](C)[N@H+]1CCCOCC1 379397798 1224312899 /nfs/dbraw/zinc/31/28/99/1224312899.db2.gz PNEUWQSRERUTKW-LLVKDONJSA-N 1 1 185.311 2.287 10 0 AEAEMO CC[C@@H](C)C[C@@H](CC)[N@@H+](C)CCO 379400447 1224313402 /nfs/dbraw/zinc/31/34/02/1224313402.db2.gz IQCMRKNLIOKKJI-GHMZBOCLSA-N 1 1 187.327 2.125 10 0 AEAEMO CCCC[C@H](C)[N@H+]1CCO[C@H](C)C1 379398568 1224313440 /nfs/dbraw/zinc/31/34/40/1224313440.db2.gz VTJJSEUFKFRDQB-WDEREUQCSA-N 1 1 185.311 2.286 10 0 AEAEMO CCCC[C@@H](C)[N@H+]1CCO[C@H](C)C1 379398565 1224313589 /nfs/dbraw/zinc/31/35/89/1224313589.db2.gz VTJJSEUFKFRDQB-GHMZBOCLSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@H](C)C[C@@H](CC)[N@@H+](C)CCO 379400450 1224313761 /nfs/dbraw/zinc/31/37/61/1224313761.db2.gz IQCMRKNLIOKKJI-WDEREUQCSA-N 1 1 187.327 2.125 10 0 AEAEMO CCCC[C@@H](C)[N@H+]1CCO[C@@H](C)C1 379398566 1224313806 /nfs/dbraw/zinc/31/38/06/1224313806.db2.gz VTJJSEUFKFRDQB-MNOVXSKESA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@H](C)C[C@H](CC)[N@@H+](C)CCO 379400449 1224313849 /nfs/dbraw/zinc/31/38/49/1224313849.db2.gz IQCMRKNLIOKKJI-QWRGUYRKSA-N 1 1 187.327 2.125 10 0 AEAEMO CCCC[C@H](C)[N@H+]1CCO[C@@H](C)C1 379398567 1224314089 /nfs/dbraw/zinc/31/40/89/1224314089.db2.gz VTJJSEUFKFRDQB-QWRGUYRKSA-N 1 1 185.311 2.286 10 0 AEAEMO CC[C@@H](C[C@H](C)CC)[N@@H+](C)CCO 379400448 1224314110 /nfs/dbraw/zinc/31/41/10/1224314110.db2.gz IQCMRKNLIOKKJI-MNOVXSKESA-N 1 1 187.327 2.125 10 0 AEAEMO CCC(CC)[N@@H+](C)Cc1cocn1 379417137 1224315233 /nfs/dbraw/zinc/31/52/33/1224315233.db2.gz TXBMONRKGDWMON-UHFFFAOYSA-N 1 1 182.267 2.295 10 0 AEAEMO CCCC[N@@H+](CC)Cc1cnoc1 379418316 1224315465 /nfs/dbraw/zinc/31/54/65/1224315465.db2.gz VVTRNZJURVWXBQ-UHFFFAOYSA-N 1 1 182.267 2.297 10 0 AEAEMO CCC[N@@H+](CC)Cc1cc[nH]c1 388420662 1224326282 /nfs/dbraw/zinc/32/62/82/1224326282.db2.gz HNCRRDZXARLAQV-UHFFFAOYSA-N 1 1 166.268 2.247 10 0 AEAEMO CSCC[N@@H+](C)[C@@H]1CC[C@@H](C)C1 388426581 1224326375 /nfs/dbraw/zinc/32/63/75/1224326375.db2.gz KVVLMQYCJDAAGU-NXEZZACHSA-N 1 1 187.352 2.470 10 0 AEAEMO CSCC[N@@H+](C)[C@H]1CC[C@H](C)C1 388426582 1224326444 /nfs/dbraw/zinc/32/64/44/1224326444.db2.gz KVVLMQYCJDAAGU-UWVGGRQHSA-N 1 1 187.352 2.470 10 0 AEAEMO CSCC[N@@H+](C)[C@@H]1CC[C@H](C)C1 388426583 1224326576 /nfs/dbraw/zinc/32/65/76/1224326576.db2.gz KVVLMQYCJDAAGU-VHSXEESVSA-N 1 1 187.352 2.470 10 0 AEAEMO CSCC[N@@H+](C)[C@H]1CC[C@@H](C)C1 388426584 1224326640 /nfs/dbraw/zinc/32/66/40/1224326640.db2.gz KVVLMQYCJDAAGU-ZJUUUORDSA-N 1 1 187.352 2.470 10 0 AEAEMO CCC[N@@H+](CC)CC1(CC)COC1 388837638 1224328557 /nfs/dbraw/zinc/32/85/57/1224328557.db2.gz XRALXZBNZRWOPR-UHFFFAOYSA-N 1 1 185.311 2.145 10 0 AEAEMO C[N@@H+](Cc1cc[nH]c1)CC(C)(C)C 393718940 1224334478 /nfs/dbraw/zinc/33/44/78/1224334478.db2.gz HIERUMFOXFQTBQ-UHFFFAOYSA-N 1 1 180.295 2.493 10 0 AEAEMO CC(=O)CC[N@@H+]1CCC[C@H](C(C)C)C1 694334180 1224350519 /nfs/dbraw/zinc/35/05/19/1224350519.db2.gz XIZUDZGQPZBELL-LBPRGKRZSA-N 1 1 197.322 2.334 10 0 AEAEMO CC(=O)CC[N@@H+]1CCC[C@@H](C(C)C)C1 694334178 1224350638 /nfs/dbraw/zinc/35/06/38/1224350638.db2.gz XIZUDZGQPZBELL-GFCCVEGCSA-N 1 1 197.322 2.334 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1Cc1cnoc1 1205704114 1224396491 /nfs/dbraw/zinc/39/64/91/1224396491.db2.gz SAZLDKQSHRPESY-LLVKDONJSA-N 1 1 194.278 2.439 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1Cc1cnoc1 1205704115 1224397534 /nfs/dbraw/zinc/39/75/34/1224397534.db2.gz SAZLDKQSHRPESY-NSHDSACASA-N 1 1 194.278 2.439 10 0 AEAEMO C[C@@H]1C[C@H]1C[N@@H+](C)Cc1ccc[nH]1 388579212 538433615 /nfs/dbraw/zinc/43/36/15/538433615.db2.gz CYYIACBIUREAIY-ZJUUUORDSA-N 1 1 178.279 2.103 10 0 AEAEMO CC[C@@H](C)[C@H](C)[N@@H+](C)Cc1cc[nH]n1 1559537589 1224488338 /nfs/dbraw/zinc/48/83/38/1224488338.db2.gz AGFCJEOOYBMAEG-ZJUUUORDSA-N 1 1 195.310 2.276 10 0 AEAEMO CC[C@H](C)[C@H](C)[N@@H+](C)Cc1cc[nH]n1 1559537587 1224488413 /nfs/dbraw/zinc/48/84/13/1224488413.db2.gz AGFCJEOOYBMAEG-UWVGGRQHSA-N 1 1 195.310 2.276 10 0 AEAEMO CC[C@H](C)[C@@H](C)[N@@H+](C)Cc1cc[nH]n1 1559537588 1224488522 /nfs/dbraw/zinc/48/85/22/1224488522.db2.gz AGFCJEOOYBMAEG-VHSXEESVSA-N 1 1 195.310 2.276 10 0 AEAEMO CC[C@@H](C)[C@@H](C)[N@@H+](C)Cc1cc[nH]n1 1559537586 1224488568 /nfs/dbraw/zinc/48/85/68/1224488568.db2.gz AGFCJEOOYBMAEG-NXEZZACHSA-N 1 1 195.310 2.276 10 0 AEAEMO CCCC[N@@H+](C)C1CC(OCC)C1 388579731 538433251 /nfs/dbraw/zinc/43/32/51/538433251.db2.gz DKEIRUYHTHNPKL-UHFFFAOYSA-N 1 1 185.311 2.286 10 0 AEAEMO CC(C)[C@@H](C)[N@@H+](C)CC1(F)CC1 388505238 538433432 /nfs/dbraw/zinc/43/34/32/538433432.db2.gz OEIGBTUTEIBWKT-SECBINFHSA-N 1 1 173.275 2.465 10 0 AEAEMO C[C@H]1C[C@@H]1C[N@@H+](C)Cc1ccc[nH]1 388579211 538433462 /nfs/dbraw/zinc/43/34/62/538433462.db2.gz CYYIACBIUREAIY-VHSXEESVSA-N 1 1 178.279 2.103 10 0 AEAEMO C[C@H]1C[C@H]1C[N@@H+](C)Cc1ccc[nH]1 388579207 538433479 /nfs/dbraw/zinc/43/34/79/538433479.db2.gz CYYIACBIUREAIY-UWVGGRQHSA-N 1 1 178.279 2.103 10 0 AEAEMO FCCCC[N@H+]1C[C@H]2CCC[C@@H]21 388523849 538433500 /nfs/dbraw/zinc/43/35/00/538433500.db2.gz YPVMSNWYWUVKGX-ZJUUUORDSA-N 1 1 171.259 2.220 10 0 AEAEMO CC[N@@H+](CC1=NOCC1)[C@H](C)C(C)C 1615319182 1224501502 /nfs/dbraw/zinc/50/15/02/1224501502.db2.gz OWUHKAKIUSALKL-SNVBAGLBSA-N 1 1 198.310 2.129 10 0 AEAEMO CC[N@@H+](CC1=NOCC1)[C@@H](C)C(C)C 1615319181 1224501796 /nfs/dbraw/zinc/50/17/96/1224501796.db2.gz OWUHKAKIUSALKL-JTQLQIEISA-N 1 1 198.310 2.129 10 0 AEAEMO CC[C@H]([NH2+]Cc1n[nH]cc1C)C(C)C 389340375 538440863 /nfs/dbraw/zinc/44/08/63/538440863.db2.gz XYXAORGPKJCPTB-JTQLQIEISA-N 1 1 195.310 2.242 10 0 AEAEMO CC[C@H]1CCCC[N@H+]1CC1=NOCC1 1641577242 1224510639 /nfs/dbraw/zinc/51/06/39/1224510639.db2.gz UPZNMPQIAZKBFY-NSHDSACASA-N 1 1 196.294 2.027 10 0 AEAEMO CC[C@@H]1CCCC[N@H+]1CC1=NOCC1 1641577241 1224510729 /nfs/dbraw/zinc/51/07/29/1224510729.db2.gz UPZNMPQIAZKBFY-LLVKDONJSA-N 1 1 196.294 2.027 10 0 AEAEMO CC[N@@H+](CC[C@@H]1CCC1=O)CC(C)C 669381855 538445508 /nfs/dbraw/zinc/44/55/08/538445508.db2.gz YALXOJKNCQJCJL-NSHDSACASA-N 1 1 197.322 2.334 10 0 AEAEMO CCC[C@H]1CCC[N@H+]1C[C@H](C)OC 1655799728 1224515739 /nfs/dbraw/zinc/51/57/39/1224515739.db2.gz LHYDVJREBCSWPQ-QWRGUYRKSA-N 1 1 185.311 2.286 10 0 AEAEMO C[Si](C)(C)C[N@H+]1CCC[C@H](F)C1 1655813376 1224515784 /nfs/dbraw/zinc/51/57/84/1224515784.db2.gz PSLDEZYUNHDUOH-VIFPVBQESA-N 1 1 189.350 2.298 10 0 AEAEMO C[Si](C)(C)C[N@H+]1CCC[C@@H](F)C1 1655813375 1224515886 /nfs/dbraw/zinc/51/58/86/1224515886.db2.gz PSLDEZYUNHDUOH-SECBINFHSA-N 1 1 189.350 2.298 10 0 AEAEMO C[N@@H+](CCOC1CCC1)CC1CCC1 1655797405 1224516007 /nfs/dbraw/zinc/51/60/07/1224516007.db2.gz ZRNVIEQIYVUOOL-UHFFFAOYSA-N 1 1 197.322 2.287 10 0 AEAEMO CCC[C@@H]1CCC[N@H+]1C[C@@H](C)OC 1655799726 1224516028 /nfs/dbraw/zinc/51/60/28/1224516028.db2.gz LHYDVJREBCSWPQ-GHMZBOCLSA-N 1 1 185.311 2.286 10 0 AEAEMO CCC[C@@H]1CCC[N@H+]1C[C@H](C)OC 1655799729 1224516193 /nfs/dbraw/zinc/51/61/93/1224516193.db2.gz LHYDVJREBCSWPQ-WDEREUQCSA-N 1 1 185.311 2.286 10 0 AEAEMO C[N@@H+](CC[C@H]1CCCO1)CC1CCC1 1655797043 1224516289 /nfs/dbraw/zinc/51/62/89/1224516289.db2.gz HEYWWMSPZUSRSN-GFCCVEGCSA-N 1 1 197.322 2.287 10 0 AEAEMO CCC[C@H]1CCC[N@H+]1C[C@@H](C)OC 1655799727 1224516307 /nfs/dbraw/zinc/51/63/07/1224516307.db2.gz LHYDVJREBCSWPQ-MNOVXSKESA-N 1 1 185.311 2.286 10 0 AEAEMO C[N@@H+](CC[C@@H]1CCCO1)CC1CCC1 1655797044 1224516361 /nfs/dbraw/zinc/51/63/61/1224516361.db2.gz HEYWWMSPZUSRSN-LBPRGKRZSA-N 1 1 197.322 2.287 10 0 AEAEMO Cc1oncc1C[N@@H+](C)CC1CCC1 1655797020 1224516397 /nfs/dbraw/zinc/51/63/97/1224516397.db2.gz GGQGMCWULXDOHE-UHFFFAOYSA-N 1 1 194.278 2.215 10 0 AEAEMO CC(C)[NH+](C(C)C)[C@@H]1CCN[C@H](C)C1 675056495 538449434 /nfs/dbraw/zinc/44/94/34/538449434.db2.gz RNRBTTPAZQHSTN-VXGBXAGGSA-N 1 1 198.354 2.246 10 0 AEAEMO