smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C1CC[NH+](CCC(F)(F)F)CC1 306548404 534464887 /nfs/dbraw/zinc/46/48/87/534464887.db2.gz GJBUOXKXFWQAIL-UHFFFAOYSA-N 1 0 193.212 2.591 10 30 AFEERO C=C[C@H](C)[NH2+][C@@H]1CC=C(C)CC1 334276730 534669275 /nfs/dbraw/zinc/66/92/75/534669275.db2.gz CWPWOFQBAJVQKD-WDEREUQCSA-N 1 0 165.280 2.649 10 30 AFEERO CC[N@H+](C)CCCCC1(C#N)CCC1 675074826 537791043 /nfs/dbraw/zinc/79/10/43/537791043.db2.gz BOESCDOUEFPAJG-UHFFFAOYSA-N 1 0 194.322 2.802 10 30 AFEERO N#CC1(CCCC[NH+]2CCC2)CCC1 675075473 537793844 /nfs/dbraw/zinc/79/38/44/537793844.db2.gz PWDMVVRRHHOSID-UHFFFAOYSA-N 1 0 192.306 2.556 10 30 AFEERO C=CC[NH+](CC(C)C)CC(C)C 35822584 537802030 /nfs/dbraw/zinc/80/20/30/537802030.db2.gz HCFNBZJIEWNRIT-UHFFFAOYSA-N 1 0 169.312 2.786 10 30 AFEERO C#CC(C)(C)[NH+]1CCC(C)(C)CC1 685950212 537828467 /nfs/dbraw/zinc/82/84/67/537828467.db2.gz KTSYWWGJQYBOIX-UHFFFAOYSA-N 1 0 179.307 2.520 10 30 AFEERO C#CC(C)(C)[NH+]1CCC(C)(CC)CC1 685950476 537829584 /nfs/dbraw/zinc/82/95/84/537829584.db2.gz QYMQTXDUDVKVFC-UHFFFAOYSA-N 1 0 193.334 2.910 10 30 AFEERO C=C(C)C[NH+]1C[C@@H](C)C[C@H](C)C1 41362820 537840397 /nfs/dbraw/zinc/84/03/97/537840397.db2.gz DSIFDVLGNJEUAW-QWRGUYRKSA-N 1 0 167.296 2.540 10 30 AFEERO C=C(C)C[N@@H+]1C[C@@H](C)C[C@@H](C)C1 41362818 537842675 /nfs/dbraw/zinc/84/26/75/537842675.db2.gz DSIFDVLGNJEUAW-PHIMTYICSA-N 1 0 167.296 2.540 10 30 AFEERO C=C(C)C[NH+]1C[C@H](C)C[C@@H](C)C1 41362822 537843649 /nfs/dbraw/zinc/84/36/49/537843649.db2.gz DSIFDVLGNJEUAW-GHMZBOCLSA-N 1 0 167.296 2.540 10 30 AFEERO C=CCc1ccc(Cn2ccnc2)cc1 79512699 537875063 /nfs/dbraw/zinc/87/50/63/537875063.db2.gz JKXYOZAZKQMWIS-UHFFFAOYSA-N 1 0 198.269 2.660 10 30 AFEERO C=C(OCC)C1CCC([NH2+]CC)CC1 685965321 537878340 /nfs/dbraw/zinc/87/83/40/537878340.db2.gz ZRRGIQMPWNDWFC-UHFFFAOYSA-N 1 0 197.322 2.705 10 30 AFEERO CCCC[C@@H]([NH3+])c1cccc(C#N)c1 95777701 537944800 /nfs/dbraw/zinc/94/48/00/537944800.db2.gz INWJZQVNSMJWHA-GFCCVEGCSA-N 1 0 188.274 2.748 10 30 AFEERO CCCC[C@H]([NH3+])c1cccc(C#N)c1 95760424 537946634 /nfs/dbraw/zinc/94/66/34/537946634.db2.gz INWJZQVNSMJWHA-LBPRGKRZSA-N 1 0 188.274 2.748 10 30 AFEERO C=CC[N@@H+](CC)C[C@H](C)CC 142937925 537996944 /nfs/dbraw/zinc/99/69/44/537996944.db2.gz HKBKTEFXSZRDNV-SNVBAGLBSA-N 1 0 155.285 2.540 10 30 AFEERO C=CC[N@@H+](CC)C[C@@H](C)CC 142938127 537997034 /nfs/dbraw/zinc/99/70/34/537997034.db2.gz HKBKTEFXSZRDNV-JTQLQIEISA-N 1 0 155.285 2.540 10 30 AFEERO C=C[C@H](C)[NH2+][C@H](C)c1ccc(C)o1 157293779 538022607 /nfs/dbraw/zinc/02/26/07/538022607.db2.gz DLKOEOZFVZHJJL-WCBMZHEXSA-N 1 0 179.263 2.813 10 30 AFEERO C=C[C@@H](C)[NH2+][C@H](C)CCCC 157254093 538016757 /nfs/dbraw/zinc/01/67/57/538016757.db2.gz HYMZYEVPYWNVKH-NXEZZACHSA-N 1 0 155.285 2.729 10 30 AFEERO C=C[C@@H](C)[NH2+][C@H](C)CC(C)C 157242281 538016937 /nfs/dbraw/zinc/01/69/37/538016937.db2.gz YUPLPBNFKWEIEF-NXEZZACHSA-N 1 0 155.285 2.585 10 30 AFEERO C=C[C@H](C)[NH2+][C@H](C)CC(C)C 157241994 538017156 /nfs/dbraw/zinc/01/71/56/538017156.db2.gz YUPLPBNFKWEIEF-VHSXEESVSA-N 1 0 155.285 2.585 10 30 AFEERO C=C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1 157282854 538018291 /nfs/dbraw/zinc/01/82/91/538018291.db2.gz GSVDNGMSYDJOAH-OUAUKWLOSA-N 1 0 167.296 2.729 10 30 AFEERO C=C[C@H](C)[NH2+][C@H](C)CCCC 157253797 538018869 /nfs/dbraw/zinc/01/88/69/538018869.db2.gz HYMZYEVPYWNVKH-VHSXEESVSA-N 1 0 155.285 2.729 10 30 AFEERO C=C[C@H](C)[NH2+][C@@H]1CCC[C@H](C)C1 157282989 538018904 /nfs/dbraw/zinc/01/89/04/538018904.db2.gz GSVDNGMSYDJOAH-GARJFASQSA-N 1 0 167.296 2.729 10 30 AFEERO C=C[C@@H](C)[NH2+][C@@H](C)CCCC 157254244 538019223 /nfs/dbraw/zinc/01/92/23/538019223.db2.gz HYMZYEVPYWNVKH-ZJUUUORDSA-N 1 0 155.285 2.729 10 30 AFEERO C=C[C@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 157282570 538019456 /nfs/dbraw/zinc/01/94/56/538019456.db2.gz GSVDNGMSYDJOAH-VWYCJHECSA-N 1 0 167.296 2.729 10 30 AFEERO C=C[C@@H](C)[NH2+][C@@H](C)CC(C)C 157242427 538019810 /nfs/dbraw/zinc/01/98/10/538019810.db2.gz YUPLPBNFKWEIEF-ZJUUUORDSA-N 1 0 155.285 2.585 10 30 AFEERO C=C[C@H](C)[NH2+][C@@H](C)CC(C)C 157242142 538020113 /nfs/dbraw/zinc/02/01/13/538020113.db2.gz YUPLPBNFKWEIEF-UWVGGRQHSA-N 1 0 155.285 2.585 10 30 AFEERO C=C[C@H](C)[NH2+][C@H]1CCC[C@H](C)C1 157282707 538020267 /nfs/dbraw/zinc/02/02/67/538020267.db2.gz GSVDNGMSYDJOAH-DCAQKATOSA-N 1 0 167.296 2.729 10 30 AFEERO C=C[C@H](C)[NH2+][C@@H](C)CCCC 157253953 538020411 /nfs/dbraw/zinc/02/04/11/538020411.db2.gz HYMZYEVPYWNVKH-UWVGGRQHSA-N 1 0 155.285 2.729 10 30 AFEERO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(C)o1 157293932 538021707 /nfs/dbraw/zinc/02/17/07/538021707.db2.gz DLKOEOZFVZHJJL-WPRPVWTQSA-N 1 0 179.263 2.813 10 30 AFEERO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(C)o1 157294094 538022310 /nfs/dbraw/zinc/02/23/10/538022310.db2.gz DLKOEOZFVZHJJL-PSASIEDQSA-N 1 0 179.263 2.813 10 30 AFEERO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)o1 157294233 538022933 /nfs/dbraw/zinc/02/29/33/538022933.db2.gz DLKOEOZFVZHJJL-SCZZXKLOSA-N 1 0 179.263 2.813 10 30 AFEERO C=C[C@@H](C)[NH2+]CC1CCCCC1 159287068 538036093 /nfs/dbraw/zinc/03/60/93/538036093.db2.gz AQFDRTCXXCXVFD-SNVBAGLBSA-N 1 0 167.296 2.731 10 30 AFEERO C=C[C@H](C)[NH2+]CC1CCCCC1 159286910 538037251 /nfs/dbraw/zinc/03/72/51/538037251.db2.gz AQFDRTCXXCXVFD-JTQLQIEISA-N 1 0 167.296 2.731 10 30 AFEERO C=C[C@H](C)[NH2+]CC1CCC(C)CC1 160709169 538049744 /nfs/dbraw/zinc/04/97/44/538049744.db2.gz VDEOJSVUAIKKCV-CXQJBGSLSA-N 1 0 181.323 2.977 10 30 AFEERO C=C[C@@H](C)[NH2+]CC1CCC(C)CC1 160709306 538051684 /nfs/dbraw/zinc/05/16/84/538051684.db2.gz VDEOJSVUAIKKCV-MOENNCHZSA-N 1 0 181.323 2.977 10 30 AFEERO C=C(C)COCC[NH2+][C@@H](C)CC(C)C 161885774 538065449 /nfs/dbraw/zinc/06/54/49/538065449.db2.gz BDCPLGGLARLFJS-LBPRGKRZSA-N 1 0 199.338 2.603 10 30 AFEERO C=C(C)COCC[NH2+][C@H](C)CC(C)C 161885696 538065777 /nfs/dbraw/zinc/06/57/77/538065777.db2.gz BDCPLGGLARLFJS-GFCCVEGCSA-N 1 0 199.338 2.603 10 30 AFEERO C=CC[C@H](C)[NH2+]C[C@H](C)CCC 162637075 538072337 /nfs/dbraw/zinc/07/23/37/538072337.db2.gz AGNXFJJXFZPDFT-MNOVXSKESA-N 1 0 169.312 2.977 10 30 AFEERO C=C(C)COCC[NH2+]C[C@@H](C)CCC 162702126 538072366 /nfs/dbraw/zinc/07/23/66/538072366.db2.gz DREHMYUGUBUMET-LBPRGKRZSA-N 1 0 199.338 2.605 10 30 AFEERO C=C[C@@H](C)[NH2+]C[C@@H](C)CCC 162696768 538072415 /nfs/dbraw/zinc/07/24/15/538072415.db2.gz ZLTGZAKAYBRUHJ-VHSXEESVSA-N 1 0 155.285 2.587 10 30 AFEERO C=CC[C@@H](C)[NH2+]C[C@H](C)CCC 162637354 538073325 /nfs/dbraw/zinc/07/33/25/538073325.db2.gz AGNXFJJXFZPDFT-GHMZBOCLSA-N 1 0 169.312 2.977 10 30 AFEERO C=C(C)COCC[NH2+]C[C@H](C)CCC 162702034 538073630 /nfs/dbraw/zinc/07/36/30/538073630.db2.gz DREHMYUGUBUMET-GFCCVEGCSA-N 1 0 199.338 2.605 10 30 AFEERO C=C[C@H](C)[NH2+]C[C@H](C)CCC 162696475 538074318 /nfs/dbraw/zinc/07/43/18/538074318.db2.gz ZLTGZAKAYBRUHJ-ZJUUUORDSA-N 1 0 155.285 2.587 10 30 AFEERO C=CC[C@@H](C)[NH2+]C[C@@H](C)CCC 162637481 538074513 /nfs/dbraw/zinc/07/45/13/538074513.db2.gz AGNXFJJXFZPDFT-WDEREUQCSA-N 1 0 169.312 2.977 10 30 AFEERO C=C[C@H](C)[NH2+]C[C@@H](C)CCC 162696565 538074669 /nfs/dbraw/zinc/07/46/69/538074669.db2.gz ZLTGZAKAYBRUHJ-UWVGGRQHSA-N 1 0 155.285 2.587 10 30 AFEERO C=C[C@@H](C)[NH2+]C[C@H](C)CCC 162696666 538074738 /nfs/dbraw/zinc/07/47/38/538074738.db2.gz ZLTGZAKAYBRUHJ-NXEZZACHSA-N 1 0 155.285 2.587 10 30 AFEERO C=CC[C@H](C)[NH2+]C[C@@H](C)CCC 162637210 538074811 /nfs/dbraw/zinc/07/48/11/538074811.db2.gz AGNXFJJXFZPDFT-QWRGUYRKSA-N 1 0 169.312 2.977 10 30 AFEERO C=C(C)C[NH2+][C@@H](C)c1csc(C)n1 163662941 538083679 /nfs/dbraw/zinc/08/36/79/538083679.db2.gz GHJRCPPKGCFKQG-QMMMGPOBSA-N 1 0 196.319 2.678 10 30 AFEERO C=C(C)C[NH2+][C@H](C)c1csc(C)n1 163662812 538134108 /nfs/dbraw/zinc/13/41/08/538134108.db2.gz GHJRCPPKGCFKQG-MRVPVSSYSA-N 1 0 196.319 2.678 10 30 AFEERO C=CCC[C@H](C)[NH2+]C[C@H]1C[C@@H]1C 164601249 538146758 /nfs/dbraw/zinc/14/67/58/538146758.db2.gz ZKPUPHKKJKIOMN-GARJFASQSA-N 1 0 167.296 2.587 10 30 AFEERO C=CCC[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C 164601484 538146874 /nfs/dbraw/zinc/14/68/74/538146874.db2.gz ZKPUPHKKJKIOMN-DCAQKATOSA-N 1 0 167.296 2.587 10 30 AFEERO C=CCC[C@H](C)[NH2+]C[C@@H]1C[C@H]1C 164601366 538147531 /nfs/dbraw/zinc/14/75/31/538147531.db2.gz ZKPUPHKKJKIOMN-VWYCJHECSA-N 1 0 167.296 2.587 10 30 AFEERO C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H]1C 164601132 538147599 /nfs/dbraw/zinc/14/75/99/538147599.db2.gz ZKPUPHKKJKIOMN-OUAUKWLOSA-N 1 0 167.296 2.587 10 30 AFEERO C=C(C)C[NH2+][C@@H]1CCC[C@@H]1CC 167438322 538173685 /nfs/dbraw/zinc/17/36/85/538173685.db2.gz HJQOXRHANUOINI-WDEREUQCSA-N 1 0 167.296 2.731 10 30 AFEERO C=C(C)C[NH2+][C@H]1CCC[C@H]1CC 167438005 538173697 /nfs/dbraw/zinc/17/36/97/538173697.db2.gz HJQOXRHANUOINI-MNOVXSKESA-N 1 0 167.296 2.731 10 30 AFEERO C=C(C)C[NH2+][C@H]1CCC[C@@H]1CC 167438119 538173773 /nfs/dbraw/zinc/17/37/73/538173773.db2.gz HJQOXRHANUOINI-QWRGUYRKSA-N 1 0 167.296 2.731 10 30 AFEERO C=C(C)C[NH2+][C@@H]1CCC[C@H]1CC 167438213 538173910 /nfs/dbraw/zinc/17/39/10/538173910.db2.gz HJQOXRHANUOINI-GHMZBOCLSA-N 1 0 167.296 2.731 10 30 AFEERO C=C(C)C[N@@H+](CC)CC(C)(C)C 200324658 538183521 /nfs/dbraw/zinc/18/35/21/538183521.db2.gz IENBTHBYJCMCCM-UHFFFAOYSA-N 1 0 169.312 2.931 10 30 AFEERO C=CCCC[NH2+][C@@H](C)c1ncc(C)o1 230647066 538210181 /nfs/dbraw/zinc/21/01/81/538210181.db2.gz HOIVJOTZZGNLDI-JTQLQIEISA-N 1 0 194.278 2.600 10 30 AFEERO C=CCCC[NH2+][C@H](C)c1ncc(C)o1 230647071 538212958 /nfs/dbraw/zinc/21/29/58/538212958.db2.gz HOIVJOTZZGNLDI-SNVBAGLBSA-N 1 0 194.278 2.600 10 30 AFEERO C=C[C@H](C)[NH2+]C1CC(C(C)C)C1 232564305 538222799 /nfs/dbraw/zinc/22/27/99/538222799.db2.gz LSEHMHJQSQJLRR-WHXUTIOJSA-N 1 0 167.296 2.585 10 30 AFEERO C=C[C@@H](C)[NH2+]C1CC(C(C)C)C1 232565561 538223579 /nfs/dbraw/zinc/22/35/79/538223579.db2.gz LSEHMHJQSQJLRR-KPPDAEKUSA-N 1 0 167.296 2.585 10 30 AFEERO C=CC[C@H](C)[NH2+]C1CC(C(C)C)C1 232564461 538224637 /nfs/dbraw/zinc/22/46/37/538224637.db2.gz WWUCORTZZCBJTE-UNXYVOJBSA-N 1 0 181.323 2.975 10 30 AFEERO C=CC[C@@H](C)[NH2+]C1CC(C(C)C)C1 232565697 538225959 /nfs/dbraw/zinc/22/59/59/538225959.db2.gz WWUCORTZZCBJTE-VOMCLLRMSA-N 1 0 181.323 2.975 10 30 AFEERO C=CC[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 235283563 538241554 /nfs/dbraw/zinc/24/15/54/538241554.db2.gz PYKHBHDXJNWKJT-JQWIXIFHSA-N 1 0 179.307 2.754 10 30 AFEERO C=CC[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 235388883 538242135 /nfs/dbraw/zinc/24/21/35/538242135.db2.gz PYKHBHDXJNWKJT-CMPLNLGQSA-N 1 0 179.307 2.754 10 30 AFEERO C=CCC[C@H](C)[NH2+]CC=C(C)C 235094272 538243597 /nfs/dbraw/zinc/24/35/97/538243597.db2.gz CQFQGKGNTYGAPM-NSHDSACASA-N 1 0 167.296 2.897 10 30 AFEERO C=CC[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 235672668 538247312 /nfs/dbraw/zinc/24/73/12/538247312.db2.gz PYKHBHDXJNWKJT-ZYHUDNBSSA-N 1 0 179.307 2.754 10 30 AFEERO C=CC[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 235700718 538248273 /nfs/dbraw/zinc/24/82/73/538248273.db2.gz PYKHBHDXJNWKJT-PWSUYJOCSA-N 1 0 179.307 2.754 10 30 AFEERO C=CCC[C@@H](C)[NH2+]CC=C(C)C 235414878 538248681 /nfs/dbraw/zinc/24/86/81/538248681.db2.gz CQFQGKGNTYGAPM-LLVKDONJSA-N 1 0 167.296 2.897 10 30 AFEERO C=CC[C@H](CC)[NH2+][C@@H](C)C(C)C 379311018 538336337 /nfs/dbraw/zinc/33/63/37/538336337.db2.gz FOITVBHXINKAAT-QWRGUYRKSA-N 1 0 169.312 2.975 10 30 AFEERO C=CC[N@@H+](C)C[C@H](C)CCC 379304738 538336376 /nfs/dbraw/zinc/33/63/76/538336376.db2.gz SHPFNORXOWMGJA-SNVBAGLBSA-N 1 0 155.285 2.540 10 30 AFEERO C=CCC[N@@H+](C)[C@@H](C)C1(C)CC1 379313192 538336395 /nfs/dbraw/zinc/33/63/95/538336395.db2.gz FSPFBWXZADRNOQ-JTQLQIEISA-N 1 0 167.296 2.683 10 30 AFEERO C=CC[C@@H](CC)[NH2+][C@H](C)C(C)C 379311016 538336848 /nfs/dbraw/zinc/33/68/48/538336848.db2.gz FOITVBHXINKAAT-GHMZBOCLSA-N 1 0 169.312 2.975 10 30 AFEERO C=C[C@@H](C)[NH2+][C@@H](C)CCC1CC1 379312848 538336885 /nfs/dbraw/zinc/33/68/85/538336885.db2.gz CEYPUEZFLKFXIY-ZJUUUORDSA-N 1 0 167.296 2.729 10 30 AFEERO C=C[C@@H](C)[NH2+][C@H](C)CCC1CC1 379312845 538336936 /nfs/dbraw/zinc/33/69/36/538336936.db2.gz CEYPUEZFLKFXIY-NXEZZACHSA-N 1 0 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C=CCCC[C@H]([NH2+]CC)[C@@H](C)OCC 70649243 571723867 /nfs/dbraw/zinc/72/38/67/571723867.db2.gz OVCBLABCWUSHHX-NEPJUHHUSA-N 1 0 199.338 2.746 10 30 AFEERO C=C(C)[C@@H]([NH2+]C)[C@@H](C)c1ccccc1 234411077 571724467 /nfs/dbraw/zinc/72/44/67/571724467.db2.gz SSXCHJCCXUVYDP-WCQYABFASA-N 1 0 189.302 2.954 10 30 AFEERO CCCCCCCC(=O)CC1([NH3+])CC1 398114481 571724528 /nfs/dbraw/zinc/72/45/28/571724528.db2.gz YMWRQOWDNVYMIJ-UHFFFAOYSA-N 1 0 197.322 2.797 10 30 AFEERO C=C(C)[C@@H]([NH2+]C)[C@H](C)c1ccccc1 234410904 571724750 /nfs/dbraw/zinc/72/47/50/571724750.db2.gz SSXCHJCCXUVYDP-DGCLKSJQSA-N 1 0 189.302 2.954 10 30 AFEERO C=CCCCCC[NH2+]CCC 70652322 571726021 /nfs/dbraw/zinc/72/60/21/571726021.db2.gz BDXHQWUCFJAWNH-UHFFFAOYSA-N 1 0 155.285 2.732 10 30 AFEERO C=C[C@H](C)[NH2+]C(C)(C)C1CCC1 398141530 571726303 /nfs/dbraw/zinc/72/63/03/571726303.db2.gz ZTJFVEIZIVGXRP-VIFPVBQESA-N 1 0 167.296 2.729 10 30 AFEERO CCCCCN1CCCC[C@@H]1C#N 70662621 571726705 /nfs/dbraw/zinc/72/67/05/571726705.db2.gz 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571728435 /nfs/dbraw/zinc/72/84/35/571728435.db2.gz XWWGWDYUBCPNOG-CYBMUJFWSA-N 1 0 187.286 2.703 10 30 AFEERO C=CCCCOCC1([NH3+])CCCCC1 70876487 571732018 /nfs/dbraw/zinc/73/20/18/571732018.db2.gz IZMHEDWCPXKMAA-UHFFFAOYSA-N 1 0 197.322 2.631 10 30 AFEERO C[C@@H]1C[C@@H]1[NH2+]CCCCC(C)(C)C#N 235296866 571734375 /nfs/dbraw/zinc/73/43/75/571734375.db2.gz OXRKFABUQVIFAV-MNOVXSKESA-N 1 0 194.322 2.704 10 30 AFEERO C=CCCC[C@H](C)[NH2+]CC(C)(C)OC 398170659 571734849 /nfs/dbraw/zinc/73/48/49/571734849.db2.gz LESUOBDLUXICGI-NSHDSACASA-N 1 0 199.338 2.746 10 30 AFEERO C#CCCC[NH2+]C(C)(C)C1CCC1 398171652 571736078 /nfs/dbraw/zinc/73/60/78/571736078.db2.gz OTJFMRHWUFVBSX-UHFFFAOYSA-N 1 0 179.307 2.568 10 30 AFEERO C=CCCOCC1([NH3+])CCCCCC1 70902519 571738300 /nfs/dbraw/zinc/73/83/00/571738300.db2.gz BVJSHGKEWPSAOX-UHFFFAOYSA-N 1 0 197.322 2.631 10 30 AFEERO C=C[C@H](C)[C@@]1(C[NH2+]CC)CCCS1 317778862 571739362 /nfs/dbraw/zinc/73/93/62/571739362.db2.gz YFVRZRHNTHBAFY-QWRGUYRKSA-N 1 0 199.363 2.684 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179.307 2.553 10 30 AFEERO C=C[C@H]([NH2+]C)[C@H](C)c1ccccc1 234430910 571775713 /nfs/dbraw/zinc/77/57/13/571775713.db2.gz DOVRISHTOCTVFR-PWSUYJOCSA-N 1 0 175.275 2.564 10 30 AFEERO C=C(C)CC[NH2+]C[C@@H](C)CSC 168991043 571775758 /nfs/dbraw/zinc/77/57/58/571775758.db2.gz PHFBPGGDYCEHMZ-SNVBAGLBSA-N 1 0 187.352 2.541 10 30 AFEERO C[C@H]1CC[NH2+][C@H](CC#CC(C)(C)C)C1 300779367 571775904 /nfs/dbraw/zinc/77/59/04/571775904.db2.gz RHQKHBYPBANBDV-NWDGAFQWSA-N 1 0 193.334 2.814 10 30 AFEERO CC#C[C@](C)([NH3+])c1cc(C)ccc1C 687800312 571775934 /nfs/dbraw/zinc/77/59/34/571775934.db2.gz FWHGATGLJPVACL-ZDUSSCGKSA-N 1 0 187.286 2.501 10 30 AFEERO C=C(C)c1cccc([C@H](C)C[NH3+])c1 142575747 571776724 /nfs/dbraw/zinc/77/67/24/571776724.db2.gz JFBZTPSCAKOKCN-SNVBAGLBSA-N 1 0 175.275 2.782 10 30 AFEERO CC#C[C@@]1([NH3+])C[C@H](C)CC(C)(C)C1 687800373 571776734 /nfs/dbraw/zinc/77/67/34/571776734.db2.gz YKBUPWGBNHFHAP-ZYHUDNBSSA-N 1 0 179.307 2.553 10 30 AFEERO C=C(C)CC[NH2+]C[C@H](C)CSC 168990946 571776863 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/nfs/dbraw/zinc/23/18/32/572231832.db2.gz QJUGZBCANJURLB-UHFFFAOYSA-N 1 0 181.323 2.814 10 30 AFEERO C=CCNc1[nH+]ccn1C(C)(C)CC 687796828 572222533 /nfs/dbraw/zinc/22/25/33/572222533.db2.gz QLHRYIJOQXGQLE-UHFFFAOYSA-N 1 0 193.294 2.626 10 30 AFEERO CC[C@H]1CCC[C@@H]([NH2+]CCC#N)CC1 83435289 572222551 /nfs/dbraw/zinc/22/25/51/572222551.db2.gz UJJITIULPPTXBG-NWDGAFQWSA-N 1 0 194.322 2.849 10 30 AFEERO C[NH2+]C[C@@H]1CC[C@@H]1CC#CC(C)(C)C 300783982 572222978 /nfs/dbraw/zinc/22/29/78/572222978.db2.gz RZERPMCAVVZBLF-RYUDHWBXSA-N 1 0 193.334 2.672 10 30 AFEERO CC(C)(C)C#CC[NH2+]C[C@@H]1CC1(C)C 300733348 572223034 /nfs/dbraw/zinc/22/30/34/572223034.db2.gz GIRCHRTVQJBOHG-NSHDSACASA-N 1 0 193.334 2.672 10 30 AFEERO CC(C)(C)C#CC[C@@H]1CCCC[NH2+]C1 300778630 572224157 /nfs/dbraw/zinc/22/41/57/572224157.db2.gz RDIJNYHBSDEUJH-LBPRGKRZSA-N 1 0 193.334 2.816 10 30 AFEERO C[C@H]1CC[C@@H]([NH2+]CC#CC(C)(C)C)C1 300757883 572224491 /nfs/dbraw/zinc/22/44/91/572224491.db2.gz MZHIQIJZLPOSMM-NWDGAFQWSA-N 1 0 193.334 2.814 10 30 AFEERO CC(C)(C)C#CC[C@]1(C)CC[C@H]([NH3+])C1 300736433 572224710 /nfs/dbraw/zinc/22/47/10/572224710.db2.gz HHUWKDLPHYSKAF-WCQYABFASA-N 1 0 193.334 2.944 10 30 AFEERO C=C(C)C[C@H](C[C@H]1C[C@H]1C1CC1)[NH2+]C 712957537 572225281 /nfs/dbraw/zinc/22/52/81/572225281.db2.gz UHAXDKRQSQGMPH-XQQFMLRXSA-N 1 0 193.334 2.977 10 30 AFEERO CC(C)(C)C#CC[C@@H]1CCC[C@H]1C[NH3+] 300721371 572225403 /nfs/dbraw/zinc/22/54/03/572225403.db2.gz BUQPKQLVEPDWEU-RYUDHWBXSA-N 1 0 193.334 2.801 10 30 AFEERO C=CCCC[C@@H]([NH3+])CSCCC 83487141 572225441 /nfs/dbraw/zinc/22/54/41/572225441.db2.gz LRZNGLVYGOUZLD-SNVBAGLBSA-N 1 0 187.352 2.813 10 30 AFEERO C#CCC[C@@H](CSCC)[NH2+]CCC 83485935 572225505 /nfs/dbraw/zinc/22/55/05/572225505.db2.gz RBPBIEKXOQRAAN-NSHDSACASA-N 1 0 199.363 2.521 10 30 AFEERO C=CC[C@@H](CSCCC)[NH2+]CC 83487726 572225510 /nfs/dbraw/zinc/22/55/10/572225510.db2.gz BTWCKIOHLSVXCS-JTQLQIEISA-N 1 0 187.352 2.684 10 30 AFEERO C=CC[C@H](CSCC)[NH2+]CCC 83485930 572225564 /nfs/dbraw/zinc/22/55/64/572225564.db2.gz LCQSZLZJNOIWKP-SNVBAGLBSA-N 1 0 187.352 2.684 10 30 AFEERO C[NH2+][C@H]1CCC[C@@H]1CC#CC(C)(C)C 300740216 572225602 /nfs/dbraw/zinc/22/56/02/572225602.db2.gz IFUOOLYYHQRTAK-NEPJUHHUSA-N 1 0 193.334 2.814 10 30 AFEERO C[C@@H]([NH2+]CC#CC(C)(C)C)C1CCC1 300786471 572225618 /nfs/dbraw/zinc/22/56/18/572225618.db2.gz SJJJEZZPHUBPEO-LLVKDONJSA-N 1 0 193.334 2.814 10 30 AFEERO CC(C)(C)C#CCSCC(C)(C)[NH3+] 300757959 572225626 /nfs/dbraw/zinc/22/56/26/572225626.db2.gz NBNHSOPIGDRMEL-UHFFFAOYSA-N 1 0 199.363 2.506 10 30 AFEERO CC(C)(C)C#CC[C@@H]1CCCC[C@H]1[NH3+] 300765124 572225764 /nfs/dbraw/zinc/22/57/64/572225764.db2.gz OOTRVKFXYLLGHI-NWDGAFQWSA-N 1 0 193.334 2.944 10 30 AFEERO CC(C)(C)C#CC[C@H]([NH3+])[C@@H]1CC1(C)C 300726679 572225880 /nfs/dbraw/zinc/22/58/80/572225880.db2.gz DIMGXFNZZLVGFP-QWRGUYRKSA-N 1 0 193.334 2.799 10 30 AFEERO C#CCC[C@H](CSCC)[NH2+]CCC 83485936 572226052 /nfs/dbraw/zinc/22/60/52/572226052.db2.gz RBPBIEKXOQRAAN-LLVKDONJSA-N 1 0 199.363 2.521 10 30 AFEERO C=CCCC[C@@H](CSCC)[NH2+]C 83485344 572226111 /nfs/dbraw/zinc/22/61/11/572226111.db2.gz QAFGCUIDTSROOY-JTQLQIEISA-N 1 0 187.352 2.684 10 30 AFEERO C#CC[C@H](CSCCC)[NH2+]CCC 83487804 572226160 /nfs/dbraw/zinc/22/61/60/572226160.db2.gz YUJIRJMJQHWGIW-LLVKDONJSA-N 1 0 199.363 2.521 10 30 AFEERO C#CCC[C@@H](CSCCC)[NH2+]CC 83487732 572226325 /nfs/dbraw/zinc/22/63/25/572226325.db2.gz PJLPLPDIMKNZFN-NSHDSACASA-N 1 0 199.363 2.521 10 30 AFEERO C=CCC[C@@H](CSCC)[NH2+]CC 83485843 572226350 /nfs/dbraw/zinc/22/63/50/572226350.db2.gz CJSLQWDNKVOFTQ-JTQLQIEISA-N 1 0 187.352 2.684 10 30 AFEERO C#CC[C@@H](CSCCC)[NH2+]CCC 83487803 572226382 /nfs/dbraw/zinc/22/63/82/572226382.db2.gz YUJIRJMJQHWGIW-NSHDSACASA-N 1 0 199.363 2.521 10 30 AFEERO C=CC[C@@H](CSCC)[NH2+]CCC 83485929 572226476 /nfs/dbraw/zinc/22/64/76/572226476.db2.gz LCQSZLZJNOIWKP-JTQLQIEISA-N 1 0 187.352 2.684 10 30 AFEERO C=CCC[C@@H](CSCCC)[NH2+]C 83487640 572226543 /nfs/dbraw/zinc/22/65/43/572226543.db2.gz NSYDBGSAVDBNCX-JTQLQIEISA-N 1 0 187.352 2.684 10 30 AFEERO C=CCCC[C@H]([NH3+])CSCCC 83487142 572226552 /nfs/dbraw/zinc/22/65/52/572226552.db2.gz LRZNGLVYGOUZLD-JTQLQIEISA-N 1 0 187.352 2.813 10 30 AFEERO CC#CC[C@H](CSCCC)[NH2+]CC 83487769 572226555 /nfs/dbraw/zinc/22/65/55/572226555.db2.gz AGSUAEOTQGTCTF-LLVKDONJSA-N 1 0 199.363 2.521 10 30 AFEERO C=CC[C@H](CSCCC)[NH2+]CC 83487725 572226594 /nfs/dbraw/zinc/22/65/94/572226594.db2.gz BTWCKIOHLSVXCS-SNVBAGLBSA-N 1 0 187.352 2.684 10 30 AFEERO C=CCC[C@H](CSCC)[NH2+]CC 83485844 572226774 /nfs/dbraw/zinc/22/67/74/572226774.db2.gz CJSLQWDNKVOFTQ-SNVBAGLBSA-N 1 0 187.352 2.684 10 30 AFEERO CC#CC[C@@H](CSCCC)[NH2+]CC 83487770 572226785 /nfs/dbraw/zinc/22/67/85/572226785.db2.gz AGSUAEOTQGTCTF-NSHDSACASA-N 1 0 199.363 2.521 10 30 AFEERO CC#CC[C@@H](CSCC)[NH2+]CCC 83485973 572226794 /nfs/dbraw/zinc/22/67/94/572226794.db2.gz RPQJWONQVRLDIB-NSHDSACASA-N 1 0 199.363 2.521 10 30 AFEERO C=C(C)C[NH2+]C[C@@H]1CCC(F)(F)C1 300989782 572226897 /nfs/dbraw/zinc/22/68/97/572226897.db2.gz UBDPMPCJMYSQCD-SECBINFHSA-N 1 0 189.249 2.588 10 30 AFEERO CC(C)(C)C#CC[C@@]1(C)CC[C@@H]([NH3+])C1 300736435 572226944 /nfs/dbraw/zinc/22/69/44/572226944.db2.gz HHUWKDLPHYSKAF-YPMHNXCESA-N 1 0 193.334 2.944 10 30 AFEERO C=CCCC[C@H](CSCC)[NH2+]C 83485343 572227121 /nfs/dbraw/zinc/22/71/21/572227121.db2.gz QAFGCUIDTSROOY-SNVBAGLBSA-N 1 0 187.352 2.684 10 30 AFEERO C#CCC[C@H](CSCCC)[NH2+]CC 83487731 572227215 /nfs/dbraw/zinc/22/72/15/572227215.db2.gz PJLPLPDIMKNZFN-LLVKDONJSA-N 1 0 199.363 2.521 10 30 AFEERO C#CCC[C@@H](CSC(C)(C)C)[NH2+]C 83490767 572227575 /nfs/dbraw/zinc/22/75/75/572227575.db2.gz IZDQOBQWWQGWAA-JTQLQIEISA-N 1 0 199.363 2.520 10 30 AFEERO C=CC[C@H](CSCC(C)C)[NH2+]C 83491990 572227557 /nfs/dbraw/zinc/22/75/57/572227557.db2.gz FKCAOEMMYVIJRS-SNVBAGLBSA-N 1 0 187.352 2.540 10 30 AFEERO C=CCCCC[NH2+]C1CCCC1 393365356 572227559 /nfs/dbraw/zinc/22/75/59/572227559.db2.gz COUPQPDNSDTNOC-UHFFFAOYSA-N 1 0 167.296 2.875 10 30 AFEERO C=CC[C@@H](CSC(C)C)[NH2+]CC 83489476 572229248 /nfs/dbraw/zinc/22/92/48/572229248.db2.gz HCIIXHIFBWVSPI-JTQLQIEISA-N 1 0 187.352 2.682 10 30 AFEERO CC#CC[C@@H](CSC(C)(C)C)[NH2+]C 83490804 572227838 /nfs/dbraw/zinc/22/78/38/572227838.db2.gz VHNOWDCMWULNCB-JTQLQIEISA-N 1 0 199.363 2.520 10 30 AFEERO C=CC[C@H](CSC(C)C)[NH2+]CC 83489477 572227888 /nfs/dbraw/zinc/22/78/88/572227888.db2.gz HCIIXHIFBWVSPI-SNVBAGLBSA-N 1 0 187.352 2.682 10 30 AFEERO C#CCC[C@@H](CSC(C)C)[NH2+]CC 83489482 572228027 /nfs/dbraw/zinc/22/80/27/572228027.db2.gz IOWLMAVTBHRBNI-NSHDSACASA-N 1 0 199.363 2.520 10 30 AFEERO CC#CC[C@@H](CSC(C)C)[NH2+]CC 83489520 572228039 /nfs/dbraw/zinc/22/80/39/572228039.db2.gz NRPWYLWAWGKEQM-NSHDSACASA-N 1 0 199.363 2.520 10 30 AFEERO C=C[C@@H](C)[NH2+]CC1C(C)(C)C1(C)C 235202123 572228153 /nfs/dbraw/zinc/22/81/53/572228153.db2.gz GWJNGTBNQLSPPD-SECBINFHSA-N 1 0 181.323 2.833 10 30 AFEERO CC#CC[C@H](CSC(C)(C)C)[NH2+]C 83490805 572228327 /nfs/dbraw/zinc/22/83/27/572228327.db2.gz VHNOWDCMWULNCB-SNVBAGLBSA-N 1 0 199.363 2.520 10 30 AFEERO C#CCC[C@H](CSC(C)(C)C)[NH2+]C 83490766 572228442 /nfs/dbraw/zinc/22/84/42/572228442.db2.gz IZDQOBQWWQGWAA-SNVBAGLBSA-N 1 0 199.363 2.520 10 30 AFEERO C#CC[C@H](CSC(C)C)[NH2+]CCC 83489555 572228465 /nfs/dbraw/zinc/22/84/65/572228465.db2.gz ZRHXDSGYNDSUTK-LLVKDONJSA-N 1 0 199.363 2.520 10 30 AFEERO C=CC[C@H](CSC(C)(C)C)[NH2+]C 83490760 572228540 /nfs/dbraw/zinc/22/85/40/572228540.db2.gz JLTDCGKZOKAHMM-SECBINFHSA-N 1 0 187.352 2.682 10 30 AFEERO C=CCC[C@@H](CSC(C)C)[NH2+]C 83489391 572228604 /nfs/dbraw/zinc/22/86/04/572228604.db2.gz QLJICANEQYQPST-JTQLQIEISA-N 1 0 187.352 2.682 10 30 AFEERO CC#CC[C@H](CSC(C)C)[NH2+]CC 83489521 572228615 /nfs/dbraw/zinc/22/86/15/572228615.db2.gz NRPWYLWAWGKEQM-LLVKDONJSA-N 1 0 199.363 2.520 10 30 AFEERO C=CCCC[C@H](C)[NH2+]CCOCC=C 398043895 572228700 /nfs/dbraw/zinc/22/87/00/572228700.db2.gz AEBAMQQLQULAIN-LBPRGKRZSA-N 1 0 197.322 2.523 10 30 AFEERO C=CC[C@@H](CSCC(C)C)[NH2+]C 83491991 572229084 /nfs/dbraw/zinc/22/90/84/572229084.db2.gz FKCAOEMMYVIJRS-JTQLQIEISA-N 1 0 187.352 2.540 10 30 AFEERO C=CC[C@@H](CSC(C)(C)C)[NH2+]C 83490761 572229129 /nfs/dbraw/zinc/22/91/29/572229129.db2.gz JLTDCGKZOKAHMM-VIFPVBQESA-N 1 0 187.352 2.682 10 30 AFEERO C=CCC[C@H]([NH3+])CSC(C)(C)C 83490675 572229280 /nfs/dbraw/zinc/22/92/80/572229280.db2.gz NYNKUKFFHWCJHF-VIFPVBQESA-N 1 0 187.352 2.812 10 30 AFEERO C=CCC[C@@H]([NH3+])CSC(C)(C)C 83490674 572229335 /nfs/dbraw/zinc/22/93/35/572229335.db2.gz NYNKUKFFHWCJHF-SECBINFHSA-N 1 0 187.352 2.812 10 30 AFEERO C#CC[C@@H](CSC(C)(C)C)[NH2+]CC 83490838 572229436 /nfs/dbraw/zinc/22/94/36/572229436.db2.gz AEYKPOAHDGMOCA-JTQLQIEISA-N 1 0 199.363 2.520 10 30 AFEERO C#CCC[C@H](CSC(C)C)[NH2+]CC 83489483 572229607 /nfs/dbraw/zinc/22/96/07/572229607.db2.gz IOWLMAVTBHRBNI-LLVKDONJSA-N 1 0 199.363 2.520 10 30 AFEERO C=CCC[C@H]([NH3+])CSCC(C)C 83491905 572229681 /nfs/dbraw/zinc/22/96/81/572229681.db2.gz HJSUTRVRFKTLJK-JTQLQIEISA-N 1 0 187.352 2.669 10 30 AFEERO C#CC[C@@H](CSC(C)C)[NH2+]CCC 83489554 572229804 /nfs/dbraw/zinc/22/98/04/572229804.db2.gz ZRHXDSGYNDSUTK-NSHDSACASA-N 1 0 199.363 2.520 10 30 AFEERO C=CCC[C@@H]([NH3+])CSCC(C)C 83491904 572229894 /nfs/dbraw/zinc/22/98/94/572229894.db2.gz HJSUTRVRFKTLJK-SNVBAGLBSA-N 1 0 187.352 2.669 10 30 AFEERO C#CC[NH2+]CC1CCCCCCC1 300766299 572230036 /nfs/dbraw/zinc/23/00/36/572230036.db2.gz SIKAKDQGUQPYTQ-UHFFFAOYSA-N 1 0 179.307 2.570 10 30 AFEERO C=CCC[C@H](CC)[NH2+]CCCF 393368185 572230319 /nfs/dbraw/zinc/23/03/19/572230319.db2.gz IJWACDWNFRJVHS-JTQLQIEISA-N 1 0 173.275 2.680 10 30 AFEERO CC(C)(C)C#CC[C@H]1CCC[C@H]([NH3+])C1 300770947 572231646 /nfs/dbraw/zinc/23/16/46/572231646.db2.gz PQDJZQWEZDPVRC-NEPJUHHUSA-N 1 0 193.334 2.944 10 30 AFEERO C=CC[C@H](CSC1CCCC1)[NH2+]C 83500765 572233140 /nfs/dbraw/zinc/23/31/40/572233140.db2.gz PYCNAVAQQLFOHL-SNVBAGLBSA-N 1 0 199.363 2.826 10 30 AFEERO C=C[C@@H](C)[NH2+]CCc1cccc(F)c1 235204328 572232363 /nfs/dbraw/zinc/23/23/63/572232363.db2.gz 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/nfs/dbraw/zinc/84/69/25/572846925.db2.gz XVCUSRMHOSLDFR-JTQLQIEISA-N 1 0 155.285 2.731 10 30 AFEERO C=C[C@H](C)[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 306942721 572849103 /nfs/dbraw/zinc/84/91/03/572849103.db2.gz INPPJTLDSDGSMT-UTUOFQBUSA-N 1 0 181.323 2.929 10 30 AFEERO C=C(C)[C@H]([NH2+]CC)c1ccsc1 86025987 572847048 /nfs/dbraw/zinc/84/70/48/572847048.db2.gz VFBZSFISVGYWLG-JTQLQIEISA-N 1 0 181.304 2.975 10 30 AFEERO C=C(C)[C@H]([NH3+])c1cccc(OCC)c1 86024424 572847084 /nfs/dbraw/zinc/84/70/84/572847084.db2.gz WAENMMWTZIYKSW-LBPRGKRZSA-N 1 0 191.274 2.661 10 30 AFEERO C=C(C)[C@@H]([NH2+]CC)c1ccsc1 86025979 572847107 /nfs/dbraw/zinc/84/71/07/572847107.db2.gz VFBZSFISVGYWLG-SNVBAGLBSA-N 1 0 181.304 2.975 10 30 AFEERO C=CCCCC[NH2+][C@@H](C)CC=C 307963471 572847113 /nfs/dbraw/zinc/84/71/13/572847113.db2.gz OKZMAAQTYDWPGW-NSHDSACASA-N 1 0 167.296 2.897 10 30 AFEERO C=C(C)[C@@H](CCC(C)C)[NH2+]CC 86028206 572847117 /nfs/dbraw/zinc/84/71/17/572847117.db2.gz IAUOSPRDWTYPPD-LLVKDONJSA-N 1 0 169.312 2.977 10 30 AFEERO C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CC1(C)C 307959455 572847127 /nfs/dbraw/zinc/84/71/27/572847127.db2.gz UXJYFNSOEIMTID-IUCAKERBSA-N 1 0 187.714 2.763 10 30 AFEERO C=C(C)[C@H]([NH2+]CC)C1CCCC1 86027456 572847146 /nfs/dbraw/zinc/84/71/46/572847146.db2.gz GPUACVVLQSBTQN-NSHDSACASA-N 1 0 167.296 2.731 10 30 AFEERO C=C[C@@H]([NH2+]CC)c1cncc(Cl)c1 307959064 572847243 /nfs/dbraw/zinc/84/72/43/572847243.db2.gz PRVRDIFTLVBURW-SNVBAGLBSA-N 1 0 196.681 2.572 10 30 AFEERO C=C(Cl)C[NH2+][C@H](C)[C@@H]1CC1(C)C 307959453 572847369 /nfs/dbraw/zinc/84/73/69/572847369.db2.gz UXJYFNSOEIMTID-BDAKNGLRSA-N 1 0 187.714 2.763 10 30 AFEERO C=C(C)[C@H](CSCC)[NH2+]CCC 86056741 572847511 /nfs/dbraw/zinc/84/75/11/572847511.db2.gz LNKIKPIZHLFCLD-JTQLQIEISA-N 1 0 187.352 2.684 10 30 AFEERO C=C(C)[C@H]([NH3+])c1ccc2ncccc2c1 86056121 572848282 /nfs/dbraw/zinc/84/82/82/572848282.db2.gz WVLJWVXBOXMAJG-ZDUSSCGKSA-N 1 0 198.269 2.811 10 30 AFEERO C=C(C)[C@H]([NH2+]CC)c1cccc(C)n1 86056189 572847607 /nfs/dbraw/zinc/84/76/07/572847607.db2.gz YYGNSFCOHRGTTE-LBPRGKRZSA-N 1 0 190.290 2.617 10 30 AFEERO C=C(C)[C@H]([NH3+])c1nccc2ccccc12 86056346 572847618 /nfs/dbraw/zinc/84/76/18/572847618.db2.gz WJNZKCKYPYHABK-LBPRGKRZSA-N 1 0 198.269 2.811 10 30 AFEERO C=C(C)[C@@H](CC(C)(C)C)[NH2+]CC 86056331 572847747 /nfs/dbraw/zinc/84/77/47/572847747.db2.gz QWOLVXUJWTWOHQ-SNVBAGLBSA-N 1 0 169.312 2.977 10 30 AFEERO C=C(C)[C@@H]([NH2+]CC)c1cc(C)ccn1 86056299 572847789 /nfs/dbraw/zinc/84/77/89/572847789.db2.gz MJSLOWVSOUHQJH-GFCCVEGCSA-N 1 0 190.290 2.617 10 30 AFEERO C=C(C)[C@H]([NH2+]CC)[C@@H](C)CC 86056261 572847856 /nfs/dbraw/zinc/84/78/56/572847856.db2.gz IWKFQDKAQHHHEI-UWVGGRQHSA-N 1 0 155.285 2.587 10 30 AFEERO C=C(C)[C@@H]([NH3+])c1ccc2ccccc2n1 86056138 572847907 /nfs/dbraw/zinc/84/79/07/572847907.db2.gz BNPKLDLELMESJR-CYBMUJFWSA-N 1 0 198.269 2.811 10 30 AFEERO C=C(C)[C@H]([NH2+]CC)c1ccco1 86055710 572847932 /nfs/dbraw/zinc/84/79/32/572847932.db2.gz AXLBISUHXUKRRD-JTQLQIEISA-N 1 0 165.236 2.506 10 30 AFEERO C=C(C)[C@H](Cc1cccs1)[NH2+]CC 86029416 572848065 /nfs/dbraw/zinc/84/80/65/572848065.db2.gz ZUNGHPJLWJSVRK-NSHDSACASA-N 1 0 195.331 2.845 10 30 AFEERO C=C(C)[C@H]([NH2+]CC)[C@H](C)CC 86056259 572848086 /nfs/dbraw/zinc/84/80/86/572848086.db2.gz IWKFQDKAQHHHEI-ZJUUUORDSA-N 1 0 155.285 2.587 10 30 AFEERO C=C(C)[C@H]([NH3+])c1ccc2ccccc2n1 86056135 572848087 /nfs/dbraw/zinc/84/80/87/572848087.db2.gz BNPKLDLELMESJR-ZDUSSCGKSA-N 1 0 198.269 2.811 10 30 AFEERO C=C(C)[C@@H](CSCC)[NH2+]CCC 86056742 572848274 /nfs/dbraw/zinc/84/82/74/572848274.db2.gz LNKIKPIZHLFCLD-SNVBAGLBSA-N 1 0 187.352 2.684 10 30 AFEERO C=C(C)[C@@H]([NH2+]CC)c1ccco1 86055708 572848143 /nfs/dbraw/zinc/84/81/43/572848143.db2.gz AXLBISUHXUKRRD-SNVBAGLBSA-N 1 0 165.236 2.506 10 30 AFEERO C=C(C)[C@@H]([NH3+])CSC1CCCCC1 86057011 572848160 /nfs/dbraw/zinc/84/81/60/572848160.db2.gz SFRSCMAQECNZRQ-NSHDSACASA-N 1 0 199.363 2.956 10 30 AFEERO C=C(C)[C@@H]([NH2+]CC)c1ccoc1 86056399 572848236 /nfs/dbraw/zinc/84/82/36/572848236.db2.gz OTTLMYQIOLCJMD-SNVBAGLBSA-N 1 0 165.236 2.506 10 30 AFEERO C=C(C)[C@H]([NH2+]CC)[C@H]1CC[C@H](C)C1 86057972 572848291 /nfs/dbraw/zinc/84/82/91/572848291.db2.gz TURAPXRBKIZKIU-SRVKXCTJSA-N 1 0 181.323 2.977 10 30 AFEERO C=C(C)[C@H](CSCCC)[NH2+]CC 86056762 572848324 /nfs/dbraw/zinc/84/83/24/572848324.db2.gz QVGTWNINBAVRHH-JTQLQIEISA-N 1 0 187.352 2.684 10 30 AFEERO C=C(C)[C@@H](CSC(C)C)[NH2+]CC 86056793 572848327 /nfs/dbraw/zinc/84/83/27/572848327.db2.gz LHRHSWYWZSQEFU-SNVBAGLBSA-N 1 0 187.352 2.682 10 30 AFEERO C=C(C)[C@H]([NH2+]CC)c1cc(C)ccn1 86056301 572848374 /nfs/dbraw/zinc/84/83/74/572848374.db2.gz MJSLOWVSOUHQJH-LBPRGKRZSA-N 1 0 190.290 2.617 10 30 AFEERO C=C(C)[C@@H]([NH2+]CC)[C@H](C)CC 86056256 572848393 /nfs/dbraw/zinc/84/83/93/572848393.db2.gz IWKFQDKAQHHHEI-NXEZZACHSA-N 1 0 155.285 2.587 10 30 AFEERO C=C(C)[C@H]([NH2+]CC)[C@@H]1CC[C@H](C)C1 86057966 572848460 /nfs/dbraw/zinc/84/84/60/572848460.db2.gz TURAPXRBKIZKIU-TUAOUCFPSA-N 1 0 181.323 2.977 10 30 AFEERO C=C(C)[C@@H](CS[C@@H](C)CC)[NH2+]C 86056902 572848466 /nfs/dbraw/zinc/84/84/66/572848466.db2.gz JONAVQCTFUWTPN-VHSXEESVSA-N 1 0 187.352 2.682 10 30 AFEERO CC(C)(C)CC=[NH+]n1cccc1 307959713 572848491 /nfs/dbraw/zinc/84/84/91/572848491.db2.gz JNMRAUVRWWXDEB-UHFFFAOYSA-N 1 0 164.252 2.758 10 30 AFEERO C=C(C)[C@@H]([NH3+])c1nccc2ccccc12 86056349 572848604 /nfs/dbraw/zinc/84/86/04/572848604.db2.gz WJNZKCKYPYHABK-GFCCVEGCSA-N 1 0 198.269 2.811 10 30 AFEERO C=C(C)[C@@H](CSCC(C)C)[NH2+]C 86056856 572848708 /nfs/dbraw/zinc/84/87/08/572848708.db2.gz HNPYNTOQJDDGNU-SNVBAGLBSA-N 1 0 187.352 2.540 10 30 AFEERO C=C(C)[C@@H]([NH2+]CCC)C1CCC1 86056624 572848807 /nfs/dbraw/zinc/84/88/07/572848807.db2.gz DGOOJUKRRIXYCN-LLVKDONJSA-N 1 0 167.296 2.731 10 30 AFEERO C=C[C@@H](C)C[N@H+](C)CC=C(C)C 307960041 572848892 /nfs/dbraw/zinc/84/88/92/572848892.db2.gz VPUTUVFKXVRLHM-LLVKDONJSA-N 1 0 167.296 2.707 10 30 AFEERO C=C(C)[C@@H]([NH3+])CSC1CCCC1 86056971 572848939 /nfs/dbraw/zinc/84/89/39/572848939.db2.gz PTVCQYLLIJWFDK-JTQLQIEISA-N 1 0 185.336 2.566 10 30 AFEERO C=C(C)[C@H](CSC(C)C)[NH2+]CC 86056792 572848962 /nfs/dbraw/zinc/84/89/62/572848962.db2.gz LHRHSWYWZSQEFU-JTQLQIEISA-N 1 0 187.352 2.682 10 30 AFEERO C=C(C)[C@H](CSC1CCCC1)[NH2+]C 86056982 572848965 /nfs/dbraw/zinc/84/89/65/572848965.db2.gz BMXDDQHOBJZNTD-NSHDSACASA-N 1 0 199.363 2.826 10 30 AFEERO C=C(C)[C@@H](Cc1cccs1)[NH2+]CC 86029421 572848969 /nfs/dbraw/zinc/84/89/69/572848969.db2.gz ZUNGHPJLWJSVRK-LLVKDONJSA-N 1 0 195.331 2.845 10 30 AFEERO C=C(C)[C@H](CS[C@@H](C)CC)[NH2+]C 86056897 572849017 /nfs/dbraw/zinc/84/90/17/572849017.db2.gz JONAVQCTFUWTPN-UWVGGRQHSA-N 1 0 187.352 2.682 10 30 AFEERO C=C[C@H](C)[NH2+][C@H]1CC[C@@H]1C(C)C 307960353 572849034 /nfs/dbraw/zinc/84/90/34/572849034.db2.gz KEJTXDQKHIXILG-AXFHLTTASA-N 1 0 167.296 2.585 10 30 AFEERO C=C(C)[C@@H]([NH2+]CC)[C@@H](C)CC 86056258 572849097 /nfs/dbraw/zinc/84/90/97/572849097.db2.gz IWKFQDKAQHHHEI-VHSXEESVSA-N 1 0 155.285 2.587 10 30 AFEERO C=C(C)[C@H]([NH2+]CCC)c1ccoc1 86056407 572849175 /nfs/dbraw/zinc/84/91/75/572849175.db2.gz FSNYNOVLFRGILS-NSHDSACASA-N 1 0 179.263 2.896 10 30 AFEERO C=C(C)[C@@H]([NH2+]CCC)[C@H](C)CC 86056272 572849212 /nfs/dbraw/zinc/84/92/12/572849212.db2.gz NAADDUWYQJWITG-GHMZBOCLSA-N 1 0 169.312 2.977 10 30 AFEERO C=C(C)[C@H](CS[C@H](C)CC)[NH2+]C 86056895 572849288 /nfs/dbraw/zinc/84/92/88/572849288.db2.gz JONAVQCTFUWTPN-ZJUUUORDSA-N 1 0 187.352 2.682 10 30 AFEERO C=C[C@H](C)[NH2+][C@H]1CC[C@H]1C(C)C 307960354 572849293 /nfs/dbraw/zinc/84/92/93/572849293.db2.gz KEJTXDQKHIXILG-DCAQKATOSA-N 1 0 167.296 2.585 10 30 AFEERO C=C(C)[C@H]([NH2+]CCC)[C@H](C)CC 86056274 572849301 /nfs/dbraw/zinc/84/93/01/572849301.db2.gz NAADDUWYQJWITG-MNOVXSKESA-N 1 0 169.312 2.977 10 30 AFEERO C=C(C)[C@H]([NH2+]CCC)[C@@H]1C[C@@H]1C 86058259 572849349 /nfs/dbraw/zinc/84/93/49/572849349.db2.gz ALFQBPUZKQHGCH-AXFHLTTASA-N 1 0 167.296 2.587 10 30 AFEERO C=C(C)[C@H](CSCC(C)C)[NH2+]C 86056853 572849425 /nfs/dbraw/zinc/84/94/25/572849425.db2.gz HNPYNTOQJDDGNU-JTQLQIEISA-N 1 0 187.352 2.540 10 30 AFEERO C=C(C)[C@@H]([NH2+]CCC)[C@@H](C)CC 86056270 572849453 /nfs/dbraw/zinc/84/94/53/572849453.db2.gz NAADDUWYQJWITG-WDEREUQCSA-N 1 0 169.312 2.977 10 30 AFEERO C=C(C)[C@@H](CSC1CCCC1)[NH2+]C 86056978 572849462 /nfs/dbraw/zinc/84/94/62/572849462.db2.gz BMXDDQHOBJZNTD-LLVKDONJSA-N 1 0 199.363 2.826 10 30 AFEERO C=C(C)[C@@H](CS[C@H](C)CC)[NH2+]C 86056900 572849552 /nfs/dbraw/zinc/84/95/52/572849552.db2.gz JONAVQCTFUWTPN-NXEZZACHSA-N 1 0 187.352 2.682 10 30 AFEERO C=C(C)[C@H]([NH2+]CCC)[C@@H](C)CC 86056271 572849585 /nfs/dbraw/zinc/84/95/85/572849585.db2.gz NAADDUWYQJWITG-QWRGUYRKSA-N 1 0 169.312 2.977 10 30 AFEERO C=C(C)[C@H]([NH3+])CSC1CCCCC1 86057007 572849645 /nfs/dbraw/zinc/84/96/45/572849645.db2.gz SFRSCMAQECNZRQ-LLVKDONJSA-N 1 0 199.363 2.956 10 30 AFEERO C=C(C)[C@H](CC(C)(C)C)[NH2+]CC 86056329 572849718 /nfs/dbraw/zinc/84/97/18/572849718.db2.gz QWOLVXUJWTWOHQ-JTQLQIEISA-N 1 0 169.312 2.977 10 30 AFEERO C=C(C)[C@@H]([NH2+]CC)c1cccc(C)n1 86056188 572849730 /nfs/dbraw/zinc/84/97/30/572849730.db2.gz YYGNSFCOHRGTTE-GFCCVEGCSA-N 1 0 190.290 2.617 10 30 AFEERO C=C(C)[C@@H]([NH3+])CSc1ccccc1 86057051 572849751 /nfs/dbraw/zinc/84/97/51/572849751.db2.gz SHTIVEQVCJCUAB-NSHDSACASA-N 1 0 193.315 2.682 10 30 AFEERO C=C(C)C[C@@H]([NH2+]CC)C(C)(C)C 86061026 572850837 /nfs/dbraw/zinc/85/08/37/572850837.db2.gz NBEXSLIHGPNVCQ-SNVBAGLBSA-N 1 0 169.312 2.977 10 30 AFEERO C=C(C)[C@H]([NH3+])CSC1CCCC1 86056968 572849959 /nfs/dbraw/zinc/84/99/59/572849959.db2.gz PTVCQYLLIJWFDK-SNVBAGLBSA-N 1 0 185.336 2.566 10 30 AFEERO C=C(C)[C@@H](CSC(C)(C)C)[NH2+]C 86056821 572850004 /nfs/dbraw/zinc/85/00/04/572850004.db2.gz PBECYHSTAGZDMC-SECBINFHSA-N 1 0 187.352 2.682 10 30 AFEERO C=C(C)[C@H]([NH3+])CSc1ccccc1 86057048 572850024 /nfs/dbraw/zinc/85/00/24/572850024.db2.gz SHTIVEQVCJCUAB-LLVKDONJSA-N 1 0 193.315 2.682 10 30 AFEERO C=C[C@H](C)[NH2+][C@@H]1CC[C@@H]1C(C)C 307960356 572850056 /nfs/dbraw/zinc/85/00/56/572850056.db2.gz KEJTXDQKHIXILG-HBNTYKKESA-N 1 0 167.296 2.585 10 30 AFEERO C=C(C)[C@@H]([NH2+]CCC)c1ccoc1 86056406 572850060 /nfs/dbraw/zinc/85/00/60/572850060.db2.gz FSNYNOVLFRGILS-LLVKDONJSA-N 1 0 179.263 2.896 10 30 AFEERO C=C(C)[C@H]([NH2+]CCC)[C@H]1C[C@@H]1C 86058262 572850111 /nfs/dbraw/zinc/85/01/11/572850111.db2.gz ALFQBPUZKQHGCH-DCAQKATOSA-N 1 0 167.296 2.587 10 30 AFEERO C=C(C)C[C@H]([NH2+]CC)c1ccco1 86061454 572851234 /nfs/dbraw/zinc/85/12/34/572851234.db2.gz SMEUOOVVUPYFQR-JTQLQIEISA-N 1 0 179.263 2.896 10 30 AFEERO C=CC[C@@H]([NH3+])c1csc(C)c1C 306968994 572850510 /nfs/dbraw/zinc/85/05/10/572850510.db2.gz OWMSXGWDSCDHAF-SNVBAGLBSA-N 1 0 181.304 2.941 10 30 AFEERO C=C[C@H](C)[NH2+][C@@H]1CC[C@H]1C(C)C 307960355 572850517 /nfs/dbraw/zinc/85/05/17/572850517.db2.gz KEJTXDQKHIXILG-GARJFASQSA-N 1 0 167.296 2.585 10 30 AFEERO C=CC[C@@H](C)[NH2+]CCC=C(C)C 307959790 572850598 /nfs/dbraw/zinc/85/05/98/572850598.db2.gz JPWDIUTWNYKZJG-LLVKDONJSA-N 1 0 167.296 2.897 10 30 AFEERO C=C[C@H](C)C[N@H+](C)C[Si](C)(C)C 307960213 572850601 /nfs/dbraw/zinc/85/06/01/572850601.db2.gz VSQWSGLCKADYHH-JTQLQIEISA-N 1 0 185.387 2.618 10 30 AFEERO C=C(C)C[C@@H]([NH2+]CC)c1ccccn1 86060748 572850931 /nfs/dbraw/zinc/85/09/31/572850931.db2.gz PUICBBJZWAKJGL-GFCCVEGCSA-N 1 0 190.290 2.698 10 30 AFEERO C=C(C)C[C@@H](CSCCC)[NH2+]C 86061895 572850783 /nfs/dbraw/zinc/85/07/83/572850783.db2.gz MWQJENQSRWQEBH-JTQLQIEISA-N 1 0 187.352 2.684 10 30 AFEERO C=C(C)C[C@H]([NH2+]C)C1CCCC1 86061066 572850789 /nfs/dbraw/zinc/85/07/89/572850789.db2.gz SBIIZVOWZLNYLS-NSHDSACASA-N 1 0 167.296 2.731 10 30 AFEERO C=C(C)CCC[NH2+]CC(C)C 86063129 572850728 /nfs/dbraw/zinc/85/07/28/572850728.db2.gz GGNDCZCVTRBWTE-UHFFFAOYSA-N 1 0 155.285 2.588 10 30 AFEERO C=C(C)C[C@]1(CCC)CCC[NH2+]1 86062587 572850771 /nfs/dbraw/zinc/85/07/71/572850771.db2.gz RDXCSFOMLOQXNW-NSHDSACASA-N 1 0 167.296 2.875 10 30 AFEERO C=C(C)C[C@@H](Cc1ccccc1)[NH2+]C 86060723 572850811 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ICVUAKNAOJRMRK-LLVKDONJSA-N 1 0 181.323 2.814 10 30 AFEERO CC[C@@H](C#N)NC[C@H](CC)C(C)C 308223864 573013378 /nfs/dbraw/zinc/01/33/78/573013378.db2.gz MHEHXYRTNZBPLR-QWRGUYRKSA-N 1 0 182.311 2.560 10 30 AFEERO C=CC[NH2+]C[C@@H](CC)CCCC 49633133 573018690 /nfs/dbraw/zinc/01/86/90/573018690.db2.gz XSWDUSJEFDXAFJ-NSHDSACASA-N 1 0 169.312 2.978 10 30 AFEERO C=CC[NH2+]C[C@H](CC)CCCC 49633132 573019289 /nfs/dbraw/zinc/01/92/89/573019289.db2.gz XSWDUSJEFDXAFJ-LLVKDONJSA-N 1 0 169.312 2.978 10 30 AFEERO C=C[C@@H]([NH3+])c1cccc(SC)c1 104576232 573021668 /nfs/dbraw/zinc/02/16/68/573021668.db2.gz WTONTTHUHPPBCN-SNVBAGLBSA-N 1 0 179.288 2.594 10 30 AFEERO C#CC[C@H](C)[NH2+][C@@H](CC)CCC=C 308229803 573024561 /nfs/dbraw/zinc/02/45/61/573024561.db2.gz OIIURWOPIMVGTC-RYUDHWBXSA-N 1 0 179.307 2.733 10 30 AFEERO C=CC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1CC 308477376 573026390 /nfs/dbraw/zinc/02/63/90/573026390.db2.gz MGGHHSLQDPOZAG-GRYCIOLGSA-N 1 0 181.323 2.977 10 30 AFEERO C=CC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1CC 308477378 573026557 /nfs/dbraw/zinc/02/65/57/573026557.db2.gz MGGHHSLQDPOZAG-QJPTWQEYSA-N 1 0 181.323 2.977 10 30 AFEERO C=C[C@@H]([NH3+])c1cc(Cl)ccc1C 104574202 573026963 /nfs/dbraw/zinc/02/69/63/573026963.db2.gz YJNJOICXNCOVQS-SNVBAGLBSA-N 1 0 181.666 2.834 10 30 AFEERO C=C([C@H]([NH3+])C[C@@H](C)CC)C(F)(F)F 308229634 573027988 /nfs/dbraw/zinc/02/79/88/573027988.db2.gz SGXZSRGLDKWSGV-POYBYMJQSA-N 1 0 195.228 2.868 10 30 AFEERO C=C(C(F)(F)F)[C@@](F)(C[NH3+])CCC 308181056 573027787 /nfs/dbraw/zinc/02/77/87/573027787.db2.gz CMQBVGIUJVECSU-ZETCQYMHSA-N 1 0 199.191 2.572 10 30 AFEERO CC#CC[C@@H]1C[C@H](CC)CC[C@@H]1C[NH3+] 87945256 573027892 /nfs/dbraw/zinc/02/78/92/573027892.db2.gz GVCMENGUTZUFIN-JHJVBQTASA-N 1 0 193.334 2.801 10 30 AFEERO C=C([C@@H]([NH3+])C[C@H](C)CC)C(F)(F)F 308229638 573028230 /nfs/dbraw/zinc/02/82/30/573028230.db2.gz SGXZSRGLDKWSGV-SVRRBLITSA-N 1 0 195.228 2.868 10 30 AFEERO CC(C)[N@@H+]1CCC(C)(C)[C@H](CC#N)C1 259313429 573028424 /nfs/dbraw/zinc/02/84/24/573028424.db2.gz QLUVPGIRWDHJES-LLVKDONJSA-N 1 0 194.322 2.657 10 30 AFEERO C=CC[NH2+][C@@H]1C[C@H](C)CC[C@H]1CC 308477377 573028558 /nfs/dbraw/zinc/02/85/58/573028558.db2.gz MGGHHSLQDPOZAG-IJLUTSLNSA-N 1 0 181.323 2.977 10 30 AFEERO CC(C)[N@@H+]1CCC(C)(C)[C@@H](CC#N)C1 259313431 573029132 /nfs/dbraw/zinc/02/91/32/573029132.db2.gz QLUVPGIRWDHJES-NSHDSACASA-N 1 0 194.322 2.657 10 30 AFEERO C=C(C)C[NH2+][C@@H](C)CCC(F)(F)F 308229992 573030699 /nfs/dbraw/zinc/03/06/99/573030699.db2.gz GEOYSZWSYPMIIL-QMMMGPOBSA-N 1 0 195.228 2.883 10 30 AFEERO CCC[C@H]([NH3+])c1cccc(C#N)c1C 238248347 573031319 /nfs/dbraw/zinc/03/13/19/573031319.db2.gz UMIJTVWVQGYILC-LBPRGKRZSA-N 1 0 188.274 2.667 10 30 AFEERO C=CC(C)(C)[C@@H]([NH3+])c1ccccc1 141812939 573031477 /nfs/dbraw/zinc/03/14/77/573031477.db2.gz ZKXQXBZGASSUJC-NSHDSACASA-N 1 0 175.275 2.899 10 30 AFEERO C#Cc1cccc2c1CC[C@H]2[NH2+]CCC 308839868 573031962 /nfs/dbraw/zinc/03/19/62/573031962.db2.gz XTPWTEOHBGDTOJ-CQSZACIVSA-N 1 0 199.297 2.655 10 30 AFEERO C=CCC(C)(C)CC[NH2+]C1CC1 87957444 573032854 /nfs/dbraw/zinc/03/28/54/573032854.db2.gz TXPQJEKYPHWCJC-UHFFFAOYSA-N 1 0 167.296 2.731 10 30 AFEERO CC#CCCCC[N@@H+](C)CCCC 308234926 573033920 /nfs/dbraw/zinc/03/39/20/573033920.db2.gz QLNPBLRKIHFTLI-UHFFFAOYSA-N 1 0 181.323 2.912 10 30 AFEERO C=C1CC[C@H]2C[C@@H]1[C@@H](C)[NH2+]C2(C)C 141781124 573034470 /nfs/dbraw/zinc/03/44/70/573034470.db2.gz OCJWLGYTEAYOPG-VWYCJHECSA-N 1 0 179.307 2.729 10 30 AFEERO CC(C)[C@H](C)[NH2+][C@@H]1CC[C@H](CC#N)C1 393502269 573036298 /nfs/dbraw/zinc/03/62/98/573036298.db2.gz VJYQPJZTCXNAIR-QJPTWQEYSA-N 1 0 194.322 2.703 10 30 AFEERO C=C(C)C[N@@H+](CC)[C@H]1CCCSC1 308235861 573035750 /nfs/dbraw/zinc/03/57/50/573035750.db2.gz QTSNLKDAAQSSBX-NSHDSACASA-N 1 0 199.363 2.780 10 30 AFEERO C=CC(C)(C)[C@H]([NH3+])c1ccccc1 141813142 573035851 /nfs/dbraw/zinc/03/58/51/573035851.db2.gz ZKXQXBZGASSUJC-LLVKDONJSA-N 1 0 175.275 2.899 10 30 AFEERO CC(C)[C@H](C)[NH2+][C@H]1CC[C@H](CC#N)C1 393502275 573036021 /nfs/dbraw/zinc/03/60/21/573036021.db2.gz VJYQPJZTCXNAIR-TUAOUCFPSA-N 1 0 194.322 2.703 10 30 AFEERO C=CC[C@H]([NH3+])CCCC(F)(F)F 128423462 573036345 /nfs/dbraw/zinc/03/63/45/573036345.db2.gz HRWHQSILRMFWCC-ZETCQYMHSA-N 1 0 181.201 2.622 10 30 AFEERO C=C[C@H]([NH3+])c1ccc(C)cc1Cl 104581759 573036442 /nfs/dbraw/zinc/03/64/42/573036442.db2.gz BKYSYGNWNNGOJU-JTQLQIEISA-N 1 0 181.666 2.834 10 30 AFEERO C=CC[C@@H]([NH3+])C[C@H]1Cc2ccccc21 128408529 573036875 /nfs/dbraw/zinc/03/68/75/573036875.db2.gz XGFJZCWERGCCLP-VXGBXAGGSA-N 1 0 187.286 2.620 10 30 AFEERO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@@H]1CC 308233478 573037732 /nfs/dbraw/zinc/03/77/32/573037732.db2.gz PXSFCLKQVHMORJ-FIQHERPVSA-N 1 0 181.323 2.975 10 30 AFEERO CC(C)[C@H](C)[NH2+][C@@H]1CC[C@@H](CC#N)C1 393502272 573038137 /nfs/dbraw/zinc/03/81/37/573038137.db2.gz VJYQPJZTCXNAIR-SDDRHHMPSA-N 1 0 194.322 2.703 10 30 AFEERO C[C@H]1CCCC[C@H]1[N@@H+](C)C[C@@H](C)C#N 42607495 573038486 /nfs/dbraw/zinc/03/84/86/573038486.db2.gz DJKKMXAJIZMUAK-SDDRHHMPSA-N 1 0 194.322 2.657 10 30 AFEERO C=CC[C@H]([NH3+])C[C@@H](C)CCC 128414906 573038684 /nfs/dbraw/zinc/03/86/84/573038684.db2.gz SRMYKTQEUAWKII-UWVGGRQHSA-N 1 0 155.285 2.716 10 30 AFEERO CC#CCCCC[N@@H+](CC)C1CC1 308237433 573039712 /nfs/dbraw/zinc/03/97/12/573039712.db2.gz RHAPUAHNYOPYQU-UHFFFAOYSA-N 1 0 179.307 2.664 10 30 AFEERO C#CC[NH2+][C@@H](CC)c1cccc(C)c1 393656401 573039812 /nfs/dbraw/zinc/03/98/12/573039812.db2.gz KEEGEJOWAQGPBD-ZDUSSCGKSA-N 1 0 187.286 2.669 10 30 AFEERO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@H]1CC 308233476 573041047 /nfs/dbraw/zinc/04/10/47/573041047.db2.gz PXSFCLKQVHMORJ-BJDJZHNGSA-N 1 0 181.323 2.975 10 30 AFEERO C[C@H]1CCCC[C@H]1[N@@H+](C)[C@@H](C)CC#N 42607541 573041414 /nfs/dbraw/zinc/04/14/14/573041414.db2.gz GTTZWMYLKGTNGV-SDDRHHMPSA-N 1 0 194.322 2.799 10 30 AFEERO C=CC[N@H+](CC)CCc1ccsc1 308247854 573044394 /nfs/dbraw/zinc/04/43/94/573044394.db2.gz YHHJMONDDQSEBW-UHFFFAOYSA-N 1 0 195.331 2.799 10 30 AFEERO C[NH2+][C@H](CCS)c1cccc(C)c1 259317556 573045174 /nfs/dbraw/zinc/04/51/74/573045174.db2.gz XTFWQEPFGUUIBE-LLVKDONJSA-N 1 0 195.331 2.575 10 30 AFEERO C=CCS[C@@H]1C[C@@H](C)CC[C@@H]1C[NH3+] 308188866 573047031 /nfs/dbraw/zinc/04/70/31/573047031.db2.gz MBAJTONFDHGHDQ-HBNTYKKESA-N 1 0 199.363 2.669 10 30 AFEERO CC(C)(C)c1ccc([C@H]([NH3+])S)cc1 259318059 573047580 /nfs/dbraw/zinc/04/75/80/573047580.db2.gz IQNPQWUETGCYAR-SNVBAGLBSA-N 1 0 195.331 2.871 10 30 AFEERO C[NH2+][C@@H](CCS)c1cccc(C)c1 259317557 573047894 /nfs/dbraw/zinc/04/78/94/573047894.db2.gz XTFWQEPFGUUIBE-NSHDSACASA-N 1 0 195.331 2.575 10 30 AFEERO CC(C)(C)c1ccc([C@@H]([NH3+])S)cc1 259318056 573048400 /nfs/dbraw/zinc/04/84/00/573048400.db2.gz IQNPQWUETGCYAR-JTQLQIEISA-N 1 0 195.331 2.871 10 30 AFEERO C=CCC[C@H](C)[NH2+][C@H]1CC[C@@H]1SC 308249848 573049758 /nfs/dbraw/zinc/04/97/58/573049758.db2.gz AZNLBMUQIYVIRI-DCAQKATOSA-N 1 0 199.363 2.825 10 30 AFEERO CC(=[NH2+])NCCCCC(C)(C)C 308248204 573048689 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C#CC[N@@H+](CC)[C@H](C)[C@@H](C)CCC 308241360 573057088 /nfs/dbraw/zinc/05/70/88/573057088.db2.gz SXQRSGDDXRIDMX-NWDGAFQWSA-N 1 0 181.323 2.766 10 30 AFEERO C=CC[C@@H](CC(=C)CC)[NH2+]C 128529087 573057392 /nfs/dbraw/zinc/05/73/92/573057392.db2.gz QMPLHLJQGZDNKS-JTQLQIEISA-N 1 0 153.269 2.507 10 30 AFEERO C#CC[N@@H+](CC)[C@H](C)[C@H](C)CCC 308241365 573057558 /nfs/dbraw/zinc/05/75/58/573057558.db2.gz SXQRSGDDXRIDMX-VXGBXAGGSA-N 1 0 181.323 2.766 10 30 AFEERO C#CC[N@@H+](CC)[C@@H](C)[C@@H](C)CCC 308241362 573058909 /nfs/dbraw/zinc/05/89/09/573058909.db2.gz SXQRSGDDXRIDMX-RYUDHWBXSA-N 1 0 181.323 2.766 10 30 AFEERO C=CC[N@@H+](CC)C1CC(C(F)F)C1 308488323 573059017 /nfs/dbraw/zinc/05/90/17/573059017.db2.gz QCDNKGDESAUYPC-UHFFFAOYSA-N 1 0 189.249 2.538 10 30 AFEERO C=C(CC)C[N@H+](C)[C@@H]1CCCSC1 308206196 573059421 /nfs/dbraw/zinc/05/94/21/573059421.db2.gz ZARQVRVYGITHMZ-LLVKDONJSA-N 1 0 199.363 2.780 10 30 AFEERO CC#CCC[NH2+]C(C(C)C)C(C)C 308240295 573059687 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HMSIFXKUSPFCNG-JTQLQIEISA-N 1 0 197.398 2.631 10 30 AFEERO C=CC[C@@H]([NH3+])c1cc(C)c(O)cc1C 238521815 573816078 /nfs/dbraw/zinc/81/60/78/573816078.db2.gz JJASNQFRLZOLGM-LLVKDONJSA-N 1 0 191.274 2.585 10 30 AFEERO C=C(CC)CO[C@@H]1CCCCC[C@@H]1[NH3+] 131205604 573816092 /nfs/dbraw/zinc/81/60/92/573816092.db2.gz GOKOGTREXDXKAS-NWDGAFQWSA-N 1 0 197.322 2.629 10 30 AFEERO C#C[C@H](CC)[NH2+][C@@H]1CC[C@H](C2CC2)C1 308743326 573816093 /nfs/dbraw/zinc/81/60/93/573816093.db2.gz PZXZSZCMXCULMD-YNEHKIRRSA-N 1 0 191.318 2.567 10 30 AFEERO C=C(CC)CO[C@@H]1CCCCC[C@H]1[NH3+] 131205988 573817229 /nfs/dbraw/zinc/81/72/29/573817229.db2.gz GOKOGTREXDXKAS-VXGBXAGGSA-N 1 0 197.322 2.629 10 30 AFEERO C=C(CC)CO[C@H]1CCCCC[C@H]1[NH3+] 131206212 573818162 /nfs/dbraw/zinc/81/81/62/573818162.db2.gz GOKOGTREXDXKAS-NEPJUHHUSA-N 1 0 197.322 2.629 10 30 AFEERO C[NH2+]CC/C=C(\C)CC#CC(C)(C)C 308446934 573818169 /nfs/dbraw/zinc/81/81/69/573818169.db2.gz JOQMYNAVXBNVAX-FMIVXFBMSA-N 1 0 193.334 2.982 10 30 AFEERO C=C(C[NH2+]C)Cc1ccccc1Cl 258147032 573821483 /nfs/dbraw/zinc/82/14/83/573821483.db2.gz KDOWQTPOBJBJAS-UHFFFAOYSA-N 1 0 195.693 2.658 10 30 AFEERO C=C(C)[C@H]([NH2+]C)C(CC)CC 131407474 573827939 /nfs/dbraw/zinc/82/79/39/573827939.db2.gz CAQJHADCCMBQPE-JTQLQIEISA-N 1 0 155.285 2.587 10 30 AFEERO C=C(C)[C@H]([NH3+])c1ccc(OCC)cc1 131406640 573828086 /nfs/dbraw/zinc/82/80/86/573828086.db2.gz ALOXCJHMKRKTLB-LBPRGKRZSA-N 1 0 191.274 2.661 10 30 AFEERO C=C(C)[C@@H]([NH3+])c1ccc(OCC)cc1 131406407 573828636 /nfs/dbraw/zinc/82/86/36/573828636.db2.gz ALOXCJHMKRKTLB-GFCCVEGCSA-N 1 0 191.274 2.661 10 30 AFEERO CC(C)N[C@@H](C#N)C1CCCCCC1 84329650 573828754 /nfs/dbraw/zinc/82/87/54/573828754.db2.gz LSPMLVVSRRSFIX-LBPRGKRZSA-N 1 0 194.322 2.847 10 30 AFEERO CC(C)c1ccc([C@H]([NH3+])S)cc1 259204889 573828795 /nfs/dbraw/zinc/82/87/95/573828795.db2.gz DQAZZNQDHXLEHH-SNVBAGLBSA-N 1 0 181.304 2.697 10 30 AFEERO C=C[C@H]([NH3+])c1cc2ccc(C)cc2[nH]1 238526765 573828841 /nfs/dbraw/zinc/82/88/41/573828841.db2.gz MCOHXHZPSFMKQC-JTQLQIEISA-N 1 0 186.258 2.662 10 30 AFEERO C=C[C@@H]([NH3+])c1cc2ccc(C)cc2[nH]1 238526864 573829118 /nfs/dbraw/zinc/82/91/18/573829118.db2.gz MCOHXHZPSFMKQC-SNVBAGLBSA-N 1 0 186.258 2.662 10 30 AFEERO N#C[C@@H](NC1CC1)C1CCCCCC1 84329654 573829198 /nfs/dbraw/zinc/82/91/98/573829198.db2.gz SYTTTWWCDSLFHJ-GFCCVEGCSA-N 1 0 192.306 2.601 10 30 AFEERO CC#CCC[NH2+]C/C=C\c1ccccc1 308766044 573833905 /nfs/dbraw/zinc/83/39/05/573833905.db2.gz QIVNVBVYEODQKA-FLIBITNWSA-N 1 0 199.297 2.703 10 30 AFEERO CCCCN([C@@H](C)C#N)[C@@H](C)CC 43522347 573832753 /nfs/dbraw/zinc/83/27/53/573832753.db2.gz KCFOKLRCZTUJQZ-QWRGUYRKSA-N 1 0 182.311 2.799 10 30 AFEERO CCC1CCC(N[C@@H](C#N)CC)CC1 43541022 573832823 /nfs/dbraw/zinc/83/28/23/573832823.db2.gz YZVPVDAOUHFILU-MOENNCHZSA-N 1 0 194.322 2.847 10 30 AFEERO CCCCN(CCCC)[C@@H](C)C#N 43521883 573832868 /nfs/dbraw/zinc/83/28/68/573832868.db2.gz KWZJTIYZGRPUES-NSHDSACASA-N 1 0 182.311 2.801 10 30 AFEERO CC[C@H](C#N)NC[C@@H]1CCCC[C@@H]1C 43541551 573833105 /nfs/dbraw/zinc/83/31/05/573833105.db2.gz QIAKKOCUHGAGBH-SDDRHHMPSA-N 1 0 194.322 2.704 10 30 AFEERO CC[C@@H](C#N)NC[C@H]1CCCC[C@@H]1C 43541552 573833153 /nfs/dbraw/zinc/83/31/53/573833153.db2.gz QIAKKOCUHGAGBH-TUAOUCFPSA-N 1 0 194.322 2.704 10 30 AFEERO C[C@H](C#N)n1ccnc1-c1ccccc1 43522474 573833589 /nfs/dbraw/zinc/83/35/89/573833589.db2.gz LZRQJPJABAXNCV-SNVBAGLBSA-N 1 0 197.241 2.635 10 30 AFEERO CCCCCN(C(C)C)[C@@H](C)C#N 43522321 573833602 /nfs/dbraw/zinc/83/36/02/573833602.db2.gz LSQJYPDNDRRFPQ-NSHDSACASA-N 1 0 182.311 2.799 10 30 AFEERO CC[C@@H](C#N)N[C@H]1CCCC[C@@H]1CC 43541010 573833719 /nfs/dbraw/zinc/83/37/19/573833719.db2.gz QNTAVMLUVFHBLY-SRVKXCTJSA-N 1 0 194.322 2.847 10 30 AFEERO CCCCC[C@@H](C)N[C@H](C#N)CC 43540987 573833727 /nfs/dbraw/zinc/83/37/27/573833727.db2.gz ZRDJICCCNZBNPO-MNOVXSKESA-N 1 0 182.311 2.847 10 30 AFEERO CCCCC[C@H](C)N[C@@H](C#N)CC 43540990 573833809 /nfs/dbraw/zinc/83/38/09/573833809.db2.gz ZRDJICCCNZBNPO-WDEREUQCSA-N 1 0 182.311 2.847 10 30 AFEERO CC(C)CN(CC(C)C)[C@@H](C)C#N 43522060 573834075 /nfs/dbraw/zinc/83/40/75/573834075.db2.gz HVHPIQMZHZRLSR-NSHDSACASA-N 1 0 182.311 2.512 10 30 AFEERO C#CC[C@@H](C)[NH2+][C@@H]1C=CCCCCC1 308451547 573834374 /nfs/dbraw/zinc/83/43/74/573834374.db2.gz FKYAYUABALZJLF-CHWSQXEVSA-N 1 0 191.318 2.877 10 30 AFEERO CCCCC[C@H](C)N[C@H](C#N)CC 43540988 573836099 /nfs/dbraw/zinc/83/60/99/573836099.db2.gz ZRDJICCCNZBNPO-QWRGUYRKSA-N 1 0 182.311 2.847 10 30 AFEERO C=CCC[C@H](C)[NH2+][C@H](CC)CCOC 308763471 573836419 /nfs/dbraw/zinc/83/64/19/573836419.db2.gz ZEFQPDPPPAFEHQ-NWDGAFQWSA-N 1 0 199.338 2.746 10 30 AFEERO CC[C@@H](C#N)NC[C@@H]1CCCC[C@@H]1C 43541550 573836672 /nfs/dbraw/zinc/83/66/72/573836672.db2.gz QIAKKOCUHGAGBH-SRVKXCTJSA-N 1 0 194.322 2.704 10 30 AFEERO Cc1cc2ncn([C@H](C)C#N)c2cc1C 43522439 573836913 /nfs/dbraw/zinc/83/69/13/573836913.db2.gz ASPCYFHBONGZSS-SNVBAGLBSA-N 1 0 199.257 2.738 10 30 AFEERO C=C(C)[C@H]([NH3+])CCC1CCCC1 131425641 573838173 /nfs/dbraw/zinc/83/81/73/573838173.db2.gz RONXRYCUOFCBCG-LLVKDONJSA-N 1 0 167.296 2.860 10 30 AFEERO CC#CCC[NH2+][C@@H]1C=CCCCCC1 308449672 573840755 /nfs/dbraw/zinc/84/07/55/573840755.db2.gz CEOZIISHHRHSDW-CYBMUJFWSA-N 1 0 191.318 2.878 10 30 AFEERO C=C[C@@H]([NH3+])c1cc(C(C)C)ccc1O 238158546 573841236 /nfs/dbraw/zinc/84/12/36/573841236.db2.gz JKHVVEBRDVTVGT-LLVKDONJSA-N 1 0 191.274 2.701 10 30 AFEERO C=C[C@H]([NH3+])c1cc(C(C)C)ccc1O 238158270 573841263 /nfs/dbraw/zinc/84/12/63/573841263.db2.gz JKHVVEBRDVTVGT-NSHDSACASA-N 1 0 191.274 2.701 10 30 AFEERO CC(C)c1[nH+]cc2c(CC#N)cccn12 214981799 573841395 /nfs/dbraw/zinc/84/13/95/573841395.db2.gz HXQDLFBNQNDFOE-UHFFFAOYSA-N 1 0 199.257 2.524 10 30 AFEERO CC(C)c1[nH+]cc2cccc(CC#N)n12 214981924 573842808 /nfs/dbraw/zinc/84/28/08/573842808.db2.gz IUIORASDOIMWQC-UHFFFAOYSA-N 1 0 199.257 2.524 10 30 AFEERO C=C(C)[C@H](C[C@@H](C)CC)[NH2+]CC 131336441 573843012 /nfs/dbraw/zinc/84/30/12/573843012.db2.gz QCHPWKNGISZULO-QWRGUYRKSA-N 1 0 169.312 2.977 10 30 AFEERO CC(C)[NH2+][C@](C)(C#CCl)C(C)C 238158818 573843181 /nfs/dbraw/zinc/84/31/81/573843181.db2.gz HKLZMNHRLASLDI-SNVBAGLBSA-N 1 0 187.714 2.599 10 30 AFEERO C=C(C)[C@H]([NH2+]C)c1sccc1OC 131325323 573843195 /nfs/dbraw/zinc/84/31/95/573843195.db2.gz PCEMXPXNZRCRSL-VIFPVBQESA-N 1 0 197.303 2.593 10 30 AFEERO C=C[C@@H]1CC[C@@H](c2cccc(F)c2)[NH2+]1 238537068 573843363 /nfs/dbraw/zinc/84/33/63/573843363.db2.gz XCRVQKCYMUDUKC-NEPJUHHUSA-N 1 0 191.249 2.805 10 30 AFEERO C=C(C)[C@@H](C[C@@H](C)CC)[NH2+]C 131337743 573843477 /nfs/dbraw/zinc/84/34/77/573843477.db2.gz CISYLTHGJHBORA-VHSXEESVSA-N 1 0 155.285 2.587 10 30 AFEERO C=C(C)[C@@H]([NH2+]CC)C(C)(C)CC 131354312 573843726 /nfs/dbraw/zinc/84/37/26/573843726.db2.gz DTEMOFGXEPTMOL-SNVBAGLBSA-N 1 0 169.312 2.977 10 30 AFEERO C=C(C)[C@H]([NH2+]CC)[C@@H](C)C1CC1 131323370 573843884 /nfs/dbraw/zinc/84/38/84/573843884.db2.gz JRYLEBCXMRFBRJ-ONGXEEELSA-N 1 0 167.296 2.587 10 30 AFEERO C=C(C)[C@@H](C[C@@H](C)CC)[NH2+]CC 131336839 573843917 /nfs/dbraw/zinc/84/39/17/573843917.db2.gz QCHPWKNGISZULO-WDEREUQCSA-N 1 0 169.312 2.977 10 30 AFEERO C=C(CC[NH2+]C)c1cccc(C)c1 258161259 573844732 /nfs/dbraw/zinc/84/47/32/573844732.db2.gz KWWMWJYRWWOZTG-UHFFFAOYSA-N 1 0 175.275 2.618 10 30 AFEERO C=C(C)[C@H]([NH3+])C[C@H](C)C(C)(C)C 131357409 573844821 /nfs/dbraw/zinc/84/48/21/573844821.db2.gz VTWXUXHJWOJWQE-VHSXEESVSA-N 1 0 169.312 2.962 10 30 AFEERO C#Cc1ccc2c(c1)[C@@H]([NH2+]CCC)CC2 308896751 573844993 /nfs/dbraw/zinc/84/49/93/573844993.db2.gz SRWHWEJMIUFMBA-AWEZNQCLSA-N 1 0 199.297 2.655 10 30 AFEERO C=C(C)[C@H]([NH2+]CC)[C@H](C)C1CC1 131323802 573844996 /nfs/dbraw/zinc/84/49/96/573844996.db2.gz JRYLEBCXMRFBRJ-KOLCDFICSA-N 1 0 167.296 2.587 10 30 AFEERO C=C(C)[C@@H]([NH2+]C)c1sccc1OC 131325522 573845189 /nfs/dbraw/zinc/84/51/89/573845189.db2.gz PCEMXPXNZRCRSL-SECBINFHSA-N 1 0 197.303 2.593 10 30 AFEERO C=C(C)[C@H]([NH3+])C[C@@H](C)C(C)(C)C 131357625 573848167 /nfs/dbraw/zinc/84/81/67/573848167.db2.gz VTWXUXHJWOJWQE-NXEZZACHSA-N 1 0 169.312 2.962 10 30 AFEERO CC[C@@H](C#N)[NH+](CC(C)C)CC(C)C 43556448 573848296 /nfs/dbraw/zinc/84/82/96/573848296.db2.gz UIVXQWDHBCLPQP-LBPRGKRZSA-N 1 0 196.338 2.903 10 30 AFEERO C=C(C)[C@@H](C[C@H](C)CC)[NH2+]C 131337502 573849792 /nfs/dbraw/zinc/84/97/92/573849792.db2.gz CISYLTHGJHBORA-NXEZZACHSA-N 1 0 155.285 2.587 10 30 AFEERO C=C(C)[C@@H]1CC=C([C@@H]2CC[NH2+]C2)CC1 238151175 573850233 /nfs/dbraw/zinc/85/02/33/573850233.db2.gz OTSFUWDUBHASTL-DGCLKSJQSA-N 1 0 191.318 2.899 10 30 AFEERO C#CCC/C=C\CC[NH2+]C(C)(C)C 211838887 573850439 /nfs/dbraw/zinc/85/04/39/573850439.db2.gz MFLDJULKWXWUEM-HJWRWDBZSA-N 1 0 179.307 2.734 10 30 AFEERO C=CCC[C@H](CC)[NH2+]CCC#CC 308454418 573850494 /nfs/dbraw/zinc/85/04/94/573850494.db2.gz FNAIOSBEQWRDDL-LBPRGKRZSA-N 1 0 179.307 2.734 10 30 AFEERO C=C(C)[C@H]([NH2+]C(C)C)C(C)C 238152877 573851723 /nfs/dbraw/zinc/85/17/23/573851723.db2.gz ZKPDYWCLTBENLY-JTQLQIEISA-N 1 0 155.285 2.585 10 30 AFEERO CC(C)C(C)(C)C[NH2+]CC1(C#N)CC1 258973349 573852076 /nfs/dbraw/zinc/85/20/76/573852076.db2.gz TXLAYVLCQIEHLQ-UHFFFAOYSA-N 1 0 194.322 2.562 10 30 AFEERO CC(C)C[N@@H+]1CC[C@H](CC#N)C1(C)C 259212544 573852330 /nfs/dbraw/zinc/85/23/30/573852330.db2.gz COLVGBQRQLHLBV-NSHDSACASA-N 1 0 194.322 2.657 10 30 AFEERO C=CCC[C@@H](CC)[NH2+]CCC#CC 308454416 573854416 /nfs/dbraw/zinc/85/44/16/573854416.db2.gz FNAIOSBEQWRDDL-GFCCVEGCSA-N 1 0 179.307 2.734 10 30 AFEERO C=C(C)[C@H]([NH2+]CC)c1ccc(C)o1 131379233 573859435 /nfs/dbraw/zinc/85/94/35/573859435.db2.gz UACHIJHIBCHFRD-NSHDSACASA-N 1 0 179.263 2.815 10 30 AFEERO C=CCCCC[NH2+]CC#CC(C)(C)C 308456418 573860186 /nfs/dbraw/zinc/86/01/86/573860186.db2.gz DEBILVIXXWURSJ-UHFFFAOYSA-N 1 0 193.334 2.982 10 30 AFEERO Cc1cc(C#N)cc([C@@H]([NH3+])C(C)C)c1 238170389 573863119 /nfs/dbraw/zinc/86/31/19/573863119.db2.gz BFUKQYLVTUALIM-LBPRGKRZSA-N 1 0 188.274 2.523 10 30 AFEERO CC/[NH+]=C(/CC)c1ccccc1 256273156 573863758 /nfs/dbraw/zinc/86/37/58/573863758.db2.gz DNPMXJRIQAODMR-QXMHVHEDSA-N 1 0 161.248 2.906 10 30 AFEERO Cc1ccc(C#N)c([C@@H]([NH3+])C(C)C)c1 238170547 573864046 /nfs/dbraw/zinc/86/40/46/573864046.db2.gz MTMOZSOXDFUIPS-LBPRGKRZSA-N 1 0 188.274 2.523 10 30 AFEERO CC[C@@H](C)[N@H+](CC)C/C=C\CS 211625827 573868537 /nfs/dbraw/zinc/86/85/37/573868537.db2.gz NTGTXAUCQKFHCP-JYESYGNLSA-N 1 0 187.352 2.593 10 30 AFEERO C=C[C@](C)(C[NH2+]C)COC(CC)CC 308458565 573867815 /nfs/dbraw/zinc/86/78/15/573867815.db2.gz DZRQPDZALARIIQ-GFCCVEGCSA-N 1 0 199.338 2.603 10 30 AFEERO C#C[C@H](CC)[NH2+][C@@H](C)[C@H](C)CC=C 308455393 573868021 /nfs/dbraw/zinc/86/80/21/573868021.db2.gz FVGHWDBKPMQCDJ-GRYCIOLGSA-N 1 0 179.307 2.589 10 30 AFEERO C#C[C@H](CC)[NH2+][C@H](C)[C@H](C)CC=C 308455397 573868159 /nfs/dbraw/zinc/86/81/59/573868159.db2.gz FVGHWDBKPMQCDJ-IJLUTSLNSA-N 1 0 179.307 2.589 10 30 AFEERO N#CCc1c[nH]c2cccc([N+]#N)c12 238550232 573870910 /nfs/dbraw/zinc/87/09/10/573870910.db2.gz JBQYSVQJLGKOMQ-UHFFFAOYSA-N 1 0 183.194 2.719 10 30 AFEERO 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C#CCC[NH2+][C@@H]1CCCC[C@@H]1C(C)C 125709715 583385865 /nfs/dbraw/zinc/38/58/65/583385865.db2.gz ICFCWQLTWHDVAL-CHWSQXEVSA-N 1 0 193.334 2.814 10 30 AFEERO C#CCC[NH2+][C@H]1CCCC[C@H]1C(C)C 125709022 583386178 /nfs/dbraw/zinc/38/61/78/583386178.db2.gz ICFCWQLTWHDVAL-STQMWFEESA-N 1 0 193.334 2.814 10 30 AFEERO C#CCCCCCC[N@@H+](C)CC1CC1 876622046 583387815 /nfs/dbraw/zinc/38/78/15/583387815.db2.gz AQZDOPOUGKKEOX-UHFFFAOYSA-N 1 0 193.334 2.912 10 30 AFEERO C#CCC[NH2+][C@H]1CCCC[C@@H]1C(C)C 125709269 583386347 /nfs/dbraw/zinc/38/63/47/583386347.db2.gz ICFCWQLTWHDVAL-OLZOCXBDSA-N 1 0 193.334 2.814 10 30 AFEERO C#CCC[NH2+][C@@H]1CCCC[C@H]1C(C)C 125709522 583386360 /nfs/dbraw/zinc/38/63/60/583386360.db2.gz ICFCWQLTWHDVAL-QWHCGFSZSA-N 1 0 193.334 2.814 10 30 AFEERO C#CCCCCCC[N@@H+](C)CCC 876563440 583387302 /nfs/dbraw/zinc/38/73/02/583387302.db2.gz HDXQEGQDQRDTDJ-UHFFFAOYSA-N 1 0 181.323 2.912 10 30 AFEERO C#CCCCCCC[NH+](CC)CC 876522375 583387435 /nfs/dbraw/zinc/38/74/35/583387435.db2.gz PAGZYWSEEPNJBX-UHFFFAOYSA-N 1 0 181.323 2.912 10 30 AFEERO C#CCCCCCC[N@@H+](C)CC 876560251 583387586 /nfs/dbraw/zinc/38/75/86/583387586.db2.gz GTMWKSZIGBEMAP-UHFFFAOYSA-N 1 0 167.296 2.522 10 30 AFEERO C=CC[N@@H+](C[C@@](C)(CC)OC)C(C)C 876595899 583388106 /nfs/dbraw/zinc/38/81/06/583388106.db2.gz BLIMWMPLNAFIIT-GFCCVEGCSA-N 1 0 199.338 2.698 10 30 AFEERO C=CC[N@@H+](C[C@](C)(CC)OC)C(C)C 876595900 583388166 /nfs/dbraw/zinc/38/81/66/583388166.db2.gz BLIMWMPLNAFIIT-LBPRGKRZSA-N 1 0 199.338 2.698 10 30 AFEERO C#CCCCCCC[N@H+]1CC=CCC1 877167586 583392347 /nfs/dbraw/zinc/39/23/47/583392347.db2.gz CQQBYONCTZQAOT-UHFFFAOYSA-N 1 0 191.318 2.832 10 30 AFEERO C#CCCCCCC[NH+]1CC(C)C1 877488833 583394240 /nfs/dbraw/zinc/39/42/40/583394240.db2.gz NWOUYDUQJAFEKA-UHFFFAOYSA-N 1 0 179.307 2.522 10 30 AFEERO C#C[C@@H]([NH2+][C@H]1CCC12CCC2)C(C)C 877512808 583394267 /nfs/dbraw/zinc/39/42/67/583394267.db2.gz CBWRAAJHHQITBQ-NEPJUHHUSA-N 1 0 191.318 2.567 10 30 AFEERO C#C[C@H]([NH2+][C@H]1CCC12CCC2)C(C)C 877512810 583394437 /nfs/dbraw/zinc/39/44/37/583394437.db2.gz CBWRAAJHHQITBQ-RYUDHWBXSA-N 1 0 191.318 2.567 10 30 AFEERO C#C[C@H]([NH2+][C@@H]1CCC12CCC2)C(C)C 877512809 583394516 /nfs/dbraw/zinc/39/45/16/583394516.db2.gz CBWRAAJHHQITBQ-NWDGAFQWSA-N 1 0 191.318 2.567 10 30 AFEERO C#C[C@@H]([NH2+][C@@H]1CCC12CCC2)C(C)C 877512811 583394529 /nfs/dbraw/zinc/39/45/29/583394529.db2.gz CBWRAAJHHQITBQ-VXGBXAGGSA-N 1 0 191.318 2.567 10 30 AFEERO C#CCCCCCC[N@@H+](C)[C@H](C)C#C 877480248 583394609 /nfs/dbraw/zinc/39/46/09/583394609.db2.gz PACGVNGDOKTEDO-CYBMUJFWSA-N 1 0 191.318 2.524 10 30 AFEERO C#CCCCCCC[N@@H+](C)[C@@H](C)C#C 877480249 583394715 /nfs/dbraw/zinc/39/47/15/583394715.db2.gz PACGVNGDOKTEDO-ZDUSSCGKSA-N 1 0 191.318 2.524 10 30 AFEERO C#CCCCCCC[NH2+][C@H]1CC[C@@H]1C 877523259 583395125 /nfs/dbraw/zinc/39/51/25/583395125.db2.gz KAMGDAKILKWRKV-STQMWFEESA-N 1 0 193.334 2.958 10 30 AFEERO C#CCCCCCC[N@H+]1CC[C@H](F)C1 877559216 583395342 /nfs/dbraw/zinc/39/53/42/583395342.db2.gz TXGSZAJOBAJFBO-LBPRGKRZSA-N 1 0 197.297 2.614 10 30 AFEERO C#CCCCCCC[N@H+]1CC[C@@H](F)C1 877559202 583395411 /nfs/dbraw/zinc/39/54/11/583395411.db2.gz TXGSZAJOBAJFBO-GFCCVEGCSA-N 1 0 197.297 2.614 10 30 AFEERO C#CCCCCCC[NH2+][C@@H]1CC[C@@H]1C 877523258 583395538 /nfs/dbraw/zinc/39/55/38/583395538.db2.gz KAMGDAKILKWRKV-QWHCGFSZSA-N 1 0 193.334 2.958 10 30 AFEERO C#CCCCCCC[NH2+]CCCCF 877542179 583395761 /nfs/dbraw/zinc/39/57/61/583395761.db2.gz PGIRPTRHJQREIR-UHFFFAOYSA-N 1 0 199.313 2.909 10 30 AFEERO C#CCCCCCC[NH2+]CC[C@H](C)F 877551530 583395786 /nfs/dbraw/zinc/39/57/86/583395786.db2.gz DOFXTOASXJTNJV-LBPRGKRZSA-N 1 0 199.313 2.908 10 30 AFEERO C#CCCCCCC[NH2+][C@@H](C)CF 877548623 583395802 /nfs/dbraw/zinc/39/58/02/583395802.db2.gz OIBNSLSBTLANTH-NSHDSACASA-N 1 0 185.286 2.518 10 30 AFEERO C#CCCCCCC[NH2+]CC[C@@H](C)F 877551529 583395815 /nfs/dbraw/zinc/39/58/15/583395815.db2.gz DOFXTOASXJTNJV-GFCCVEGCSA-N 1 0 199.313 2.908 10 30 AFEERO C#CCCCCCC[NH2+][C@@H]1CC[C@H]1C 877523256 583395827 /nfs/dbraw/zinc/39/58/27/583395827.db2.gz KAMGDAKILKWRKV-CHWSQXEVSA-N 1 0 193.334 2.958 10 30 AFEERO C#CCCCCCC[NH2+][C@H]1CC[C@H]1C 877523257 583395843 /nfs/dbraw/zinc/39/58/43/583395843.db2.gz KAMGDAKILKWRKV-OLZOCXBDSA-N 1 0 193.334 2.958 10 30 AFEERO C#CCCCCCC[NH2+][C@@H]1CC12CC2 877597676 583396405 /nfs/dbraw/zinc/39/64/05/583396405.db2.gz UQXGLXUBBUGWPJ-GFCCVEGCSA-N 1 0 191.318 2.712 10 30 AFEERO C#CCCCCCC[NH2+]C/C=C/C 877657778 583396516 /nfs/dbraw/zinc/39/65/16/583396516.db2.gz NWNJBZSHLODSGT-GQCTYLIASA-N 1 0 179.307 2.736 10 30 AFEERO C#CCCCCCC[NH2+][C@H]1CC12CC2 877597677 583396603 /nfs/dbraw/zinc/39/66/03/583396603.db2.gz UQXGLXUBBUGWPJ-LBPRGKRZSA-N 1 0 191.318 2.712 10 30 AFEERO C#CCCCCCC[NH2+]CC(C)(C)F 877663260 583397296 /nfs/dbraw/zinc/39/72/96/583397296.db2.gz MRFMLUMQKLZYCG-UHFFFAOYSA-N 1 0 199.313 2.908 10 30 AFEERO C#CCCCCCC[NH2+]C/C=C\C 877657779 583397310 /nfs/dbraw/zinc/39/73/10/583397310.db2.gz NWNJBZSHLODSGT-XQRVVYSFSA-N 1 0 179.307 2.736 10 30 AFEERO C=CC(C)(C)CCC[NH2+]C1CSC1 877804381 583397706 /nfs/dbraw/zinc/39/77/06/583397706.db2.gz UXXFFYQNKAQNHL-UHFFFAOYSA-N 1 0 199.363 2.684 10 30 AFEERO C=CC[C@@H](C)[N@H+](C)Cc1ccco1 877906235 583398783 /nfs/dbraw/zinc/39/87/83/583398783.db2.gz LGXKGYRTXBLDEP-SNVBAGLBSA-N 1 0 179.263 2.676 10 30 AFEERO C=CC[C@H](C)[N@@H+](C)CCCC 877900396 583398859 /nfs/dbraw/zinc/39/88/59/583398859.db2.gz JNJUZVOMUZDFHG-JTQLQIEISA-N 1 0 155.285 2.683 10 30 AFEERO C=CC[C@H](C)[N@H+](C)Cc1ccco1 877906234 583398961 /nfs/dbraw/zinc/39/89/61/583398961.db2.gz LGXKGYRTXBLDEP-JTQLQIEISA-N 1 0 179.263 2.676 10 30 AFEERO C=CC[C@@H](C)[N@@H+](C)CCCC 877900398 583399225 /nfs/dbraw/zinc/39/92/25/583399225.db2.gz JNJUZVOMUZDFHG-SNVBAGLBSA-N 1 0 155.285 2.683 10 30 AFEERO C=CC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 877934082 583399540 /nfs/dbraw/zinc/39/95/40/583399540.db2.gz AUGWZEBBQXMQRK-WDEREUQCSA-N 1 0 167.296 2.683 10 30 AFEERO C=CC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 877934080 583399630 /nfs/dbraw/zinc/39/96/30/583399630.db2.gz AUGWZEBBQXMQRK-MNOVXSKESA-N 1 0 167.296 2.683 10 30 AFEERO C=CC[C@@H](C)[NH+]1CCC(C)CC1 877936353 583399745 /nfs/dbraw/zinc/39/97/45/583399745.db2.gz XLAVGFDSQOPINY-LLVKDONJSA-N 1 0 167.296 2.683 10 30 AFEERO C=CC[C@@H](C)[N@H+](CC)CC(=C)C 877934490 583399761 /nfs/dbraw/zinc/39/97/61/583399761.db2.gz BQPFKRRRDMWBQM-LLVKDONJSA-N 1 0 167.296 2.849 10 30 AFEERO C=CC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 877934079 583399905 /nfs/dbraw/zinc/39/99/05/583399905.db2.gz AUGWZEBBQXMQRK-GHMZBOCLSA-N 1 0 167.296 2.683 10 30 AFEERO C=CC[C@H](C)[NH+]1CCC(C)CC1 877936354 583399915 /nfs/dbraw/zinc/39/99/15/583399915.db2.gz XLAVGFDSQOPINY-NSHDSACASA-N 1 0 167.296 2.683 10 30 AFEERO C=CC[C@H](C)[N@H+](CC)CC(=C)C 877934491 583400003 /nfs/dbraw/zinc/40/00/03/583400003.db2.gz BQPFKRRRDMWBQM-NSHDSACASA-N 1 0 167.296 2.849 10 30 AFEERO C=CC[C@H](C)[N@@H+]1CCC[C@H](C)C1 877934081 583400034 /nfs/dbraw/zinc/40/00/34/583400034.db2.gz AUGWZEBBQXMQRK-QWRGUYRKSA-N 1 0 167.296 2.683 10 30 AFEERO C=CC[C@H](C)[N@H+](C)Cc1ccc(C)o1 877933125 583400121 /nfs/dbraw/zinc/40/01/21/583400121.db2.gz FUSBYRPUHMCHGV-JTQLQIEISA-N 1 0 193.290 2.984 10 30 AFEERO C=CC[C@@H](C)[NH+](CC=C)CC=C 877958917 583400188 /nfs/dbraw/zinc/40/01/88/583400188.db2.gz PCTDBYRHONYKME-LLVKDONJSA-N 1 0 165.280 2.625 10 30 AFEERO C=CC[C@H](C)[NH+](CC=C)CC=C 877958919 583400296 /nfs/dbraw/zinc/40/02/96/583400296.db2.gz PCTDBYRHONYKME-NSHDSACASA-N 1 0 165.280 2.625 10 30 AFEERO C=CC[C@@H](C)[N@H+](C)Cc1ccc(C)o1 877933126 583400327 /nfs/dbraw/zinc/40/03/27/583400327.db2.gz FUSBYRPUHMCHGV-SNVBAGLBSA-N 1 0 193.290 2.984 10 30 AFEERO C=CC[C@@H](C)[NH+]1C2CCC1CC2 877951946 583400535 /nfs/dbraw/zinc/40/05/35/583400535.db2.gz VKIOCDLDJHHPHP-KPPDAEKUSA-N 1 0 165.280 2.578 10 30 AFEERO C=CC[C@H](C)[NH+]1C2CCC1CC2 877951947 583400697 /nfs/dbraw/zinc/40/06/97/583400697.db2.gz VKIOCDLDJHHPHP-WHXUTIOJSA-N 1 0 165.280 2.578 10 30 AFEERO C=CC[C@H](C)[N@H+](C)Cc1ccoc1 877989420 583401479 /nfs/dbraw/zinc/40/14/79/583401479.db2.gz ZNFZPDQSUSHHKP-JTQLQIEISA-N 1 0 179.263 2.676 10 30 AFEERO C=CC[C@H](C)[N@@H+](C)CCC(C)C 877976765 583401541 /nfs/dbraw/zinc/40/15/41/583401541.db2.gz ZDXDDORJXXVDOL-NSHDSACASA-N 1 0 169.312 2.929 10 30 AFEERO C=CC[C@@H](C)[N@H+](C)Cc1ccoc1 877989423 583401679 /nfs/dbraw/zinc/40/16/79/583401679.db2.gz ZNFZPDQSUSHHKP-SNVBAGLBSA-N 1 0 179.263 2.676 10 30 AFEERO C=CCN(CC(F)(F)CC)C(C)C 877977494 583402024 /nfs/dbraw/zinc/40/20/24/583402024.db2.gz YKIOVZPCFREFNS-UHFFFAOYSA-N 1 0 191.265 2.928 10 30 AFEERO C=CC[C@@H](C)[N@H+](C)Cc1ccoc1C 877992064 583402049 /nfs/dbraw/zinc/40/20/49/583402049.db2.gz RFZRSIJVYDKSHE-SNVBAGLBSA-N 1 0 193.290 2.984 10 30 AFEERO C=CC[C@H](C)[N@H+](C)Cc1ccoc1C 877992062 583402149 /nfs/dbraw/zinc/40/21/49/583402149.db2.gz RFZRSIJVYDKSHE-JTQLQIEISA-N 1 0 193.290 2.984 10 30 AFEERO C=CC[C@@H](C)[N@@H+](C)CCC(C)C 877976754 583402207 /nfs/dbraw/zinc/40/22/07/583402207.db2.gz ZDXDDORJXXVDOL-LLVKDONJSA-N 1 0 169.312 2.929 10 30 AFEERO C=CC[C@H](C)N(CCC)CC(F)F 878033006 583402725 /nfs/dbraw/zinc/40/27/25/583402725.db2.gz RABVZZJPHQTNGU-VIFPVBQESA-N 1 0 191.265 2.928 10 30 AFEERO C=CC[C@@H](C)[N@@H+](C)CC(C)C 878000837 583402865 /nfs/dbraw/zinc/40/28/65/583402865.db2.gz HJKPUPCYGYZXTO-SNVBAGLBSA-N 1 0 155.285 2.539 10 30 AFEERO C=CC[C@@H](C)N(CCC)CC(F)F 878033004 583403121 /nfs/dbraw/zinc/40/31/21/583403121.db2.gz RABVZZJPHQTNGU-SECBINFHSA-N 1 0 191.265 2.928 10 30 AFEERO C=CC[C@H](C)[N@@H+](C)CC(C)C 878000836 583403219 /nfs/dbraw/zinc/40/32/19/583403219.db2.gz HJKPUPCYGYZXTO-JTQLQIEISA-N 1 0 155.285 2.539 10 30 AFEERO C=CC[C@@H](C)[NH+]1CCC(=C)CC1 878087490 583403724 /nfs/dbraw/zinc/40/37/24/583403724.db2.gz OUJWOAHZXKCCMG-LLVKDONJSA-N 1 0 165.280 2.603 10 30 AFEERO C=CC[C@@H](C)[N@H+](C)CC(C)(C)C 878038191 583403802 /nfs/dbraw/zinc/40/38/02/583403802.db2.gz CGGJXGHCKPJQLL-SNVBAGLBSA-N 1 0 169.312 2.929 10 30 AFEERO C=CC[C@H](C)[N@H+](C)CC(C)(C)C 878038190 583403873 /nfs/dbraw/zinc/40/38/73/583403873.db2.gz CGGJXGHCKPJQLL-JTQLQIEISA-N 1 0 169.312 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C=CC[NH2+][C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 58100431 166189974 /nfs/dbraw/zinc/18/99/74/166189974.db2.gz OFBQFSFZYKHNHZ-WZRBSPASSA-N 1 0 193.334 2.977 10 30 AFEERO C=CC[NH2+][C@@H](C)c1ccccc1OC 19875803 166190011 /nfs/dbraw/zinc/19/00/11/166190011.db2.gz ICXKKPMMMOEILS-JTQLQIEISA-N 1 0 191.274 2.532 10 30 AFEERO C=CC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 19875999 166190035 /nfs/dbraw/zinc/19/00/35/166190035.db2.gz HLNYTWGDNASQFD-WDEREUQCSA-N 1 0 181.323 2.977 10 30 AFEERO C=CC[NH2+][C@@H](C)c1cc(F)ccc1F 19875962 166190140 /nfs/dbraw/zinc/19/01/40/166190140.db2.gz KSLHPUWZTUTKNO-QMMMGPOBSA-N 1 0 197.228 2.801 10 30 AFEERO C=CC[NH2+][C@@H](C)c1ccc(F)cc1 19875838 166190583 /nfs/dbraw/zinc/19/05/83/166190583.db2.gz CFCLKDJHWTUTRT-VIFPVBQESA-N 1 0 179.238 2.662 10 30 AFEERO C=CC[NH2+][C@@H](C)CCCCC 20084855 166190654 /nfs/dbraw/zinc/19/06/54/166190654.db2.gz LNAHTFOKYXQMRH-JTQLQIEISA-N 1 0 155.285 2.731 10 30 AFEERO C=CC[NH2+][C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 58100426 166190810 /nfs/dbraw/zinc/19/08/10/166190810.db2.gz OFBQFSFZYKHNHZ-DMDPSCGWSA-N 1 0 193.334 2.977 10 30 AFEERO C=CC[NH2+][C@@H](CC)C[C@H](C)CC 19876018 166190860 /nfs/dbraw/zinc/19/08/60/166190860.db2.gz NEYXLAISPFXMSA-MNOVXSKESA-N 1 0 169.312 2.977 10 30 AFEERO C=CC[NH2+][C@@H](C)CCC(C)C 19876007 166190997 /nfs/dbraw/zinc/19/09/97/166190997.db2.gz KYGNMQFHRKULBM-JTQLQIEISA-N 1 0 155.285 2.587 10 30 AFEERO C=CC[NH2+][C@@H]1CCCc2ccccc21 19876043 166191022 /nfs/dbraw/zinc/19/10/22/166191022.db2.gz RVXHKIQICRFLRY-CYBMUJFWSA-N 1 0 187.286 2.840 10 30 AFEERO C=CC[NH2+][C@@H](C)c1ccc(C)cc1O 20084848 166191035 /nfs/dbraw/zinc/19/10/35/166191035.db2.gz PLGDYKLAFVMUCC-JTQLQIEISA-N 1 0 191.274 2.537 10 30 AFEERO C=CC[NH2+][C@@H](C)c1cc(C)ccc1O 35628452 166191168 /nfs/dbraw/zinc/19/11/68/166191168.db2.gz WIWZLZNKVWWVRO-JTQLQIEISA-N 1 0 191.274 2.537 10 30 AFEERO C=CC[NH2+][C@@H](C)c1ccccc1F 19875834 166191171 /nfs/dbraw/zinc/19/11/71/166191171.db2.gz VFTLSQCAYDOEKT-VIFPVBQESA-N 1 0 179.238 2.662 10 30 AFEERO C=CC[NH2+][C@@H](C)c1cccc(F)c1 19875996 166191176 /nfs/dbraw/zinc/19/11/76/166191176.db2.gz VFWLIPXSJUCWPF-VIFPVBQESA-N 1 0 179.238 2.662 10 30 AFEERO C=CC[NH2+][C@@H]1CCCc2sccc21 61324213 166191205 /nfs/dbraw/zinc/19/12/05/166191205.db2.gz CWPVVUVJLVMTBN-SNVBAGLBSA-N 1 0 193.315 2.901 10 30 AFEERO C=CC[NH2+][C@@H](C)CCCC(C)C 49772984 166191260 /nfs/dbraw/zinc/19/12/60/166191260.db2.gz UZAZCJOJGIGGJD-NSHDSACASA-N 1 0 169.312 2.977 10 30 AFEERO C=CC[NH2+][C@H](C)c1nc(C)sc1C 20084913 166191631 /nfs/dbraw/zinc/19/16/31/166191631.db2.gz KNTFOWORXLSCDJ-SSDOTTSWSA-N 1 0 196.319 2.597 10 30 AFEERO C=CC[NH2+][C@H](C)c1ccc(C)cc1O 20084846 166191687 /nfs/dbraw/zinc/19/16/87/166191687.db2.gz PLGDYKLAFVMUCC-SNVBAGLBSA-N 1 0 191.274 2.537 10 30 AFEERO C=CC[NH2+][C@H](C)CCCCC 20084853 166191720 /nfs/dbraw/zinc/19/17/20/166191720.db2.gz LNAHTFOKYXQMRH-SNVBAGLBSA-N 1 0 155.285 2.731 10 30 AFEERO C=CC[NH2+][C@H](C)CCC(C)C 19876006 166191744 /nfs/dbraw/zinc/19/17/44/166191744.db2.gz KYGNMQFHRKULBM-SNVBAGLBSA-N 1 0 155.285 2.587 10 30 AFEERO C=CC[NH2+][C@H](C)CCc1ccccc1 19875785 166191867 /nfs/dbraw/zinc/19/18/67/166191867.db2.gz ITLZFBZDOFBJEX-GFCCVEGCSA-N 1 0 189.302 2.783 10 30 AFEERO C=CC[NH2+][C@H](C)c1cccs1 19875826 166192149 /nfs/dbraw/zinc/19/21/49/166192149.db2.gz WWIYFGMIEUAZHF-MRVPVSSYSA-N 1 0 167.277 2.585 10 30 AFEERO C=CC[NH2+][C@H](C)c1ccccc1F 19875833 166192284 /nfs/dbraw/zinc/19/22/84/166192284.db2.gz VFTLSQCAYDOEKT-SECBINFHSA-N 1 0 179.238 2.662 10 30 AFEERO C=CC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 19876001 166192534 /nfs/dbraw/zinc/19/25/34/166192534.db2.gz HLNYTWGDNASQFD-QWRGUYRKSA-N 1 0 181.323 2.977 10 30 AFEERO C=CC[NH2+][C@H](C)c1ccccc1OC 19875802 166192561 /nfs/dbraw/zinc/19/25/61/166192561.db2.gz ICXKKPMMMOEILS-SNVBAGLBSA-N 1 0 191.274 2.532 10 30 AFEERO C=CC[NH2+][C@H](CC)c1ccc(O)cc1 19875870 166192615 /nfs/dbraw/zinc/19/26/15/166192615.db2.gz SGCXVIGXSREQFS-GFCCVEGCSA-N 1 0 191.274 2.619 10 30 AFEERO C=CC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 19876000 166192659 /nfs/dbraw/zinc/19/26/59/166192659.db2.gz HLNYTWGDNASQFD-MNOVXSKESA-N 1 0 181.323 2.977 10 30 AFEERO C=CC[NH2+][C@H](C)c1cc(F)ccc1F 19875961 166192745 /nfs/dbraw/zinc/19/27/45/166192745.db2.gz KSLHPUWZTUTKNO-MRVPVSSYSA-N 1 0 197.228 2.801 10 30 AFEERO C=CC[NH2+][C@H](C)c1ccc(F)cc1 19875837 166192814 /nfs/dbraw/zinc/19/28/14/166192814.db2.gz CFCLKDJHWTUTRT-SECBINFHSA-N 1 0 179.238 2.662 10 30 AFEERO C=CC[NH2+][C@H](CC)C[C@H](C)CC 19876016 166192918 /nfs/dbraw/zinc/19/29/18/166192918.db2.gz NEYXLAISPFXMSA-GHMZBOCLSA-N 1 0 169.312 2.977 10 30 AFEERO C=CC[NH2+][C@H](C)c1cccc(F)c1 19875995 166192925 /nfs/dbraw/zinc/19/29/25/166192925.db2.gz VFWLIPXSJUCWPF-SECBINFHSA-N 1 0 179.238 2.662 10 30 AFEERO C=CC[NH2+][C@H](CC)C[C@@H](C)CC 19876017 166192981 /nfs/dbraw/zinc/19/29/81/166192981.db2.gz NEYXLAISPFXMSA-WDEREUQCSA-N 1 0 169.312 2.977 10 30 AFEERO C=CC[NH2+][C@H](C)c1cc(C)ccc1O 35628451 166193033 /nfs/dbraw/zinc/19/30/33/166193033.db2.gz WIWZLZNKVWWVRO-SNVBAGLBSA-N 1 0 191.274 2.537 10 30 AFEERO C=CC[NH2+][C@H]1CCCc2ccccc21 19876044 166193048 /nfs/dbraw/zinc/19/30/48/166193048.db2.gz RVXHKIQICRFLRY-ZDUSSCGKSA-N 1 0 187.286 2.840 10 30 AFEERO C=CC[NH2+][C@H](CC)c1ccccc1O 19875936 166193069 /nfs/dbraw/zinc/19/30/69/166193069.db2.gz DIBYFWOBUGCHKJ-LLVKDONJSA-N 1 0 191.274 2.619 10 30 AFEERO C=CC[NH2+][C@H](C)c1cccc(C)c1 37185004 166193119 /nfs/dbraw/zinc/19/31/19/166193119.db2.gz OXSQRGZSAODEPO-LLVKDONJSA-N 1 0 175.275 2.832 10 30 AFEERO C=CC[NH2+][C@H]1CCCc2sccc21 61324215 166193148 /nfs/dbraw/zinc/19/31/48/166193148.db2.gz CWPVVUVJLVMTBN-JTQLQIEISA-N 1 0 193.315 2.901 10 30 AFEERO C=CC[NH2+][C@H](C)CCCC(C)C 49772982 166193306 /nfs/dbraw/zinc/19/33/06/166193306.db2.gz UZAZCJOJGIGGJD-LLVKDONJSA-N 1 0 169.312 2.977 10 30 AFEERO C=CCNc1cc[nH+]c2ccccc12 50522510 166194295 /nfs/dbraw/zinc/19/42/95/166194295.db2.gz UEVDMTQQOIQCEQ-UHFFFAOYSA-N 1 0 184.242 2.833 10 30 AFEERO C=CCOc1cc(C)ccc1[C@@H](C)[NH3+] 82501992 166196844 /nfs/dbraw/zinc/19/68/44/166196844.db2.gz VIILKERMPNPYOE-SNVBAGLBSA-N 1 0 191.274 2.580 10 30 AFEERO C=CCOc1cc(C)ccc1[C@H](C)[NH3+] 82501994 166196981 /nfs/dbraw/zinc/19/69/81/166196981.db2.gz VIILKERMPNPYOE-JTQLQIEISA-N 1 0 191.274 2.580 10 30 AFEERO C=CCOc1ccc(C)cc1[C@@H](C)[NH3+] 37710553 166197015 /nfs/dbraw/zinc/19/70/15/166197015.db2.gz HWVRPUYPUUNHPX-SNVBAGLBSA-N 1 0 191.274 2.580 10 30 AFEERO C=CCOc1ccc([C@@H](C)[NH3+])cc1C 41205438 166197061 /nfs/dbraw/zinc/19/70/61/166197061.db2.gz BLMQCDBVPNXXRL-SNVBAGLBSA-N 1 0 191.274 2.580 10 30 AFEERO C=CCOc1ccccc1[C@H]([NH3+])CC 37698552 166197092 /nfs/dbraw/zinc/19/70/92/166197092.db2.gz KIBPTUQAJFTLHF-LLVKDONJSA-N 1 0 191.274 2.661 10 30 AFEERO C=CCOc1ccc([C@H]([NH3+])CC)cc1 37697848 166197097 /nfs/dbraw/zinc/19/70/97/166197097.db2.gz SJSCZYQMXNFXTB-GFCCVEGCSA-N 1 0 191.274 2.661 10 30 AFEERO C=CCOc1ccc(C)cc1[C@H](C)[NH3+] 37710554 166197111 /nfs/dbraw/zinc/19/71/11/166197111.db2.gz HWVRPUYPUUNHPX-JTQLQIEISA-N 1 0 191.274 2.580 10 30 AFEERO C=CCOc1ccc([C@@H]([NH3+])CC)cc1 37697847 166197148 /nfs/dbraw/zinc/19/71/48/166197148.db2.gz SJSCZYQMXNFXTB-LBPRGKRZSA-N 1 0 191.274 2.661 10 30 AFEERO C=CCOc1ccc([C@H](C)[NH3+])cc1C 41205440 166197200 /nfs/dbraw/zinc/19/72/00/166197200.db2.gz BLMQCDBVPNXXRL-JTQLQIEISA-N 1 0 191.274 2.580 10 30 AFEERO C=CCOc1ccccc1[C@@H](C)[NH2+]C 37706575 166197299 /nfs/dbraw/zinc/19/72/99/166197299.db2.gz GOQFBPCNTYOZAM-SNVBAGLBSA-N 1 0 191.274 2.532 10 30 AFEERO C=CCOc1ccc([C@@H](C)[NH2+]C)cc1 37705444 166197439 /nfs/dbraw/zinc/19/74/39/166197439.db2.gz QJOFHZLFLPLDPV-SNVBAGLBSA-N 1 0 191.274 2.532 10 30 AFEERO C=CC[C@@H](CC(C)C)[NH2+]CCC 42395687 166198189 /nfs/dbraw/zinc/19/81/89/166198189.db2.gz YAHHUEHXDHMRSU-NSHDSACASA-N 1 0 169.312 2.977 10 30 AFEERO C=CC[C@@H](CCC(C)C)[NH2+]CC 43374571 166198206 /nfs/dbraw/zinc/19/82/06/166198206.db2.gz NUSRGNFYOLRQEP-NSHDSACASA-N 1 0 169.312 2.977 10 30 AFEERO C=CC[C@@H](CCC(C)C)[NH2+]C 43374486 166198355 /nfs/dbraw/zinc/19/83/55/166198355.db2.gz ASHAYEHLEVOAPB-JTQLQIEISA-N 1 0 155.285 2.587 10 30 AFEERO C=CC[C@@H](CCC)[NH2+]CCC 42395916 166198935 /nfs/dbraw/zinc/19/89/35/166198935.db2.gz RPCHXQVKOQMAOB-JTQLQIEISA-N 1 0 155.285 2.731 10 30 AFEERO C=CC[C@@H](CC(F)(F)F)[NH2+]CCC 42413402 166199002 /nfs/dbraw/zinc/19/90/02/166199002.db2.gz DYZMZSYEVQPMHG-QMMMGPOBSA-N 1 0 195.228 2.883 10 30 AFEERO C=CC[C@@H](CC(C)C)[NH2+]CC 42395681 166199136 /nfs/dbraw/zinc/19/91/36/166199136.db2.gz UIQNSTJQEKIZFT-JTQLQIEISA-N 1 0 155.285 2.587 10 30 AFEERO C=CC[C@@H]([NH2+]CC)c1ccsc1 42395510 166199236 /nfs/dbraw/zinc/19/92/36/166199236.db2.gz YVXPNDCAXFFFNE-SNVBAGLBSA-N 1 0 181.304 2.975 10 30 AFEERO C=CC[C@@H]([NH3+])c1ccc(CC)cc1 42395167 166199247 /nfs/dbraw/zinc/19/92/47/166199247.db2.gz VITMEXBQADFKML-GFCCVEGCSA-N 1 0 175.275 2.825 10 30 AFEERO C=CC[C@@H]([NH2+]CC)c1ncccc1C 43616773 166199377 /nfs/dbraw/zinc/19/93/77/166199377.db2.gz ZZJVAHDIUWWFMN-LLVKDONJSA-N 1 0 190.290 2.617 10 30 AFEERO C=CC[C@@H]([NH2+]C)c1cccc(OC)c1 42394893 166199390 /nfs/dbraw/zinc/19/93/90/166199390.db2.gz UZWHGSWDXXYGPE-GFCCVEGCSA-N 1 0 191.274 2.532 10 30 AFEERO C=CC[C@@H]([NH3+])c1cccc(OCC)c1 42394911 166199403 /nfs/dbraw/zinc/19/94/03/166199403.db2.gz XEWNOMNUEHXXOV-GFCCVEGCSA-N 1 0 191.274 2.661 10 30 AFEERO C=CC[C@@H]([NH3+])Cc1ccccc1Cl 44266920 166199410 /nfs/dbraw/zinc/19/94/10/166199410.db2.gz LKEUYYIKFYIOHG-SNVBAGLBSA-N 1 0 195.693 2.786 10 30 AFEERO C=CC[C@@H]([NH3+])/C=C/c1ccccc1 75563817 166199450 /nfs/dbraw/zinc/19/94/50/166199450.db2.gz GTVDATNIZHDWCF-BZYZDCJZSA-N 1 0 173.259 2.603 10 30 AFEERO C=CC[C@@H]([NH2+]CC)c1ccccc1 42395698 166199583 /nfs/dbraw/zinc/19/95/83/166199583.db2.gz MGAMZMZXZJREPO-GFCCVEGCSA-N 1 0 175.275 2.913 10 30 AFEERO C=CC[C@@H]([NH3+])C(C)(C)c1ccccc1 62773266 166199643 /nfs/dbraw/zinc/19/96/43/166199643.db2.gz UQZVNDDYQQAQHC-GFCCVEGCSA-N 1 0 189.302 2.868 10 30 AFEERO C=CC[C@@H]([NH2+]CCC)C(C)C 42395718 166199711 /nfs/dbraw/zinc/19/97/11/166199711.db2.gz DOJCBZJFZPDPQN-SNVBAGLBSA-N 1 0 155.285 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GPIOTNGHMJCFQK-GFCCVEGCSA-N 1 0 181.323 2.958 10 30 AFEERO CC#CC[NH2+][C@@H](CC)c1cccs1 51663581 171160407 /nfs/dbraw/zinc/16/04/07/171160407.db2.gz MBCYIMNYJKMCHC-JTQLQIEISA-N 1 0 193.315 2.812 10 30 AFEERO CC#CC[NH2+][C@H](C)CCCCC 51663465 171160423 /nfs/dbraw/zinc/16/04/23/171160423.db2.gz LDDMCILDHSGYCR-LLVKDONJSA-N 1 0 167.296 2.568 10 30 AFEERO CC#CC[NH2+][C@@H](C)CCCC(C)C 51663492 171160456 /nfs/dbraw/zinc/16/04/56/171160456.db2.gz DRCQZDHWLWVTFM-LBPRGKRZSA-N 1 0 181.323 2.814 10 30 AFEERO CCCCCCCCCOCC[NH3+] 106994261 171164731 /nfs/dbraw/zinc/16/47/31/171164731.db2.gz HFIASVLJCWKCEM-UHFFFAOYSA-N 1 0 187.327 2.712 10 30 AFEERO CCCCCCCC1([NH3+])CCOCC1 112640430 171167016 /nfs/dbraw/zinc/16/70/16/171167016.db2.gz QHGFEXKAHZXKAQ-UHFFFAOYSA-N 1 0 199.338 2.855 10 30 AFEERO C=CCCCCCCC[C@@H](O)[C@H](C)[NH3+] 13351822 171167159 /nfs/dbraw/zinc/16/71/59/171167159.db2.gz DYBRAHBPARLKOA-NWDGAFQWSA-N 1 0 199.338 2.611 10 30 biogenic AFEERO C=CCCCCCC[NH+](C)C 34060505 171185266 /nfs/dbraw/zinc/18/52/66/171185266.db2.gz KWHNJSMJWDZDKD-UHFFFAOYSA-N 1 0 155.285 2.685 10 30 AFEERO CC#CC[C@@H]([NH3+])c1ccc(Cl)cc1 51665020 171192699 /nfs/dbraw/zinc/19/26/99/171192699.db2.gz PUIDRJKHPSHBON-LLVKDONJSA-N 1 0 193.677 2.753 10 30 AFEERO CC#CC[C@H]([NH3+])c1ccc(F)c(C)c1 51665554 171193227 /nfs/dbraw/zinc/19/32/27/171193227.db2.gz VXDYMQQCGMCELE-LBPRGKRZSA-N 1 0 191.249 2.547 10 30 AFEERO CC#CC[C@@H]([NH3+])c1ccc(F)c(C)c1 51665556 171193439 /nfs/dbraw/zinc/19/34/39/171193439.db2.gz VXDYMQQCGMCELE-GFCCVEGCSA-N 1 0 191.249 2.547 10 30 AFEERO CC#CC[NH2+][C@H]1CCCc2ccccc21 51663249 171193601 /nfs/dbraw/zinc/19/36/01/171193601.db2.gz WVSKGBBNCSIDHZ-AWEZNQCLSA-N 1 0 199.297 2.677 10 30 AFEERO CC#CC[C@H]([NH3+])c1ccccc1Cl 51665936 171193745 /nfs/dbraw/zinc/19/37/45/171193745.db2.gz UFLGKFZNVSSKKK-NSHDSACASA-N 1 0 193.677 2.753 10 30 AFEERO CC#CC[C@H]([NH3+])c1ccc(Cl)cc1 51665018 171194296 /nfs/dbraw/zinc/19/42/96/171194296.db2.gz PUIDRJKHPSHBON-NSHDSACASA-N 1 0 193.677 2.753 10 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DPWFTJZAUULYKV-SECBINFHSA-N 1 0 155.285 2.587 10 30 AFEERO C#CC[C@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 157005270 344098941 /nfs/dbraw/zinc/09/89/41/344098941.db2.gz JRBLCNAZOBPVQL-WOPDTQHZSA-N 1 0 179.307 2.567 10 30 AFEERO CC#CCC[C@@H]([NH3+])c1ccccc1F 161120853 344185029 /nfs/dbraw/zinc/18/50/29/344185029.db2.gz RAZIQRLTWWTQDQ-GFCCVEGCSA-N 1 0 191.249 2.629 10 30 AFEERO CC#CCC[C@H]([NH3+])[C@H]1CCC[C@H](C)C1 161104769 344185078 /nfs/dbraw/zinc/18/50/78/344185078.db2.gz JJSYTUXZEQKZPH-AVGNSLFASA-N 1 0 193.334 2.944 10 30 AFEERO CC[N@H+](C[C@@H](C)C#N)[C@H]1C=CCCC1 161125114 344185507 /nfs/dbraw/zinc/18/55/07/344185507.db2.gz DAEBEWGVKXZVPF-RYUDHWBXSA-N 1 0 192.306 2.577 10 30 AFEERO CC#CCC[C@@]1(C)CCCCC[NH2+]1 161211128 344187296 /nfs/dbraw/zinc/18/72/96/344187296.db2.gz CXFRUJQHZPCYTP-LBPRGKRZSA-N 1 0 179.307 2.712 10 30 AFEERO CC#CCC[C@@H]1CCC[C@@H]([NH2+]C)C1 161740159 344196906 /nfs/dbraw/zinc/19/69/06/344196906.db2.gz PQKMHTGLOPPXQN-VXGBXAGGSA-N 1 0 179.307 2.568 10 30 AFEERO C#CC[C@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 162569182 344210445 /nfs/dbraw/zinc/21/04/45/344210445.db2.gz ZAEABKOXVILVDD-NWDGAFQWSA-N 1 0 193.334 2.957 10 30 AFEERO C=C(C)[C@@H]([NH2+]C)c1cc(C)cc(F)c1 162629232 344211340 /nfs/dbraw/zinc/21/13/40/344211340.db2.gz VCWMSENVUKIRHN-GFCCVEGCSA-N 1 0 193.265 2.971 10 30 AFEERO C=C(C)C[C@H]([NH3+])c1ccoc1C 163785553 344230284 /nfs/dbraw/zinc/23/02/84/344230284.db2.gz WKSRFIHKCUJUHQ-JTQLQIEISA-N 1 0 165.236 2.554 10 30 AFEERO C=C[C@@H]([NH3+])[C@H]1CCCc2sccc21 163869238 344231792 /nfs/dbraw/zinc/23/17/92/344231792.db2.gz VAGOQHHTORGHGP-WCBMZHEXSA-N 1 0 193.315 2.681 10 30 AFEERO C=C(C)[C@@H]([NH2+]C)c1ccc(C)nc1C 164086491 344236411 /nfs/dbraw/zinc/23/64/11/344236411.db2.gz PJFKWCKAEKMDBC-GFCCVEGCSA-N 1 0 190.290 2.535 10 30 AFEERO C=C(C)[C@H]([NH3+])C1CCC(F)(F)CC1 164119083 344237591 /nfs/dbraw/zinc/23/75/91/344237591.db2.gz VLHNNMPQARCJPT-VIFPVBQESA-N 1 0 189.249 2.715 10 30 AFEERO CC(C)C[C@@H](C)[NH2+]CC(C)(C)C#N 164673787 344249771 /nfs/dbraw/zinc/24/97/71/344249771.db2.gz OYALHVQDXYODGT-SNVBAGLBSA-N 1 0 182.311 2.560 10 30 AFEERO C#CC[C@H]([NH3+])c1cc(Cl)ccc1F 165126402 344258554 /nfs/dbraw/zinc/25/85/54/344258554.db2.gz ZMPGJGISTGCHQZ-JTQLQIEISA-N 1 0 197.640 2.502 10 30 AFEERO C#CC[C@@H]([NH3+])c1cc(Cl)ccc1F 165126528 344258601 /nfs/dbraw/zinc/25/86/01/344258601.db2.gz ZMPGJGISTGCHQZ-SNVBAGLBSA-N 1 0 197.640 2.502 10 30 AFEERO C#C[C@H](C)[NH2+][C@@H]1CCC[C@H](C)CC1 166408781 344281315 /nfs/dbraw/zinc/28/13/15/344281315.db2.gz HHDXJUKOOWDINP-SDDRHHMPSA-N 1 0 179.307 2.567 10 30 AFEERO C[C@H]1[C@H](C)C[C@@H](C)C[N@H+]1CCCC#N 166708001 344287791 /nfs/dbraw/zinc/28/77/91/344287791.db2.gz MPGUNVQYJHSUOO-UTUOFQBUSA-N 1 0 194.322 2.657 10 30 AFEERO CC#CC[NH2+][C@H]1CCC[C@@H](C)CC1 167693900 344311701 /nfs/dbraw/zinc/31/17/01/344311701.db2.gz DAVPQMYWNFDJQF-NEPJUHHUSA-N 1 0 179.307 2.568 10 30 AFEERO CC#CC[NH2+][C@@H]1CCC[C@@H](C)CC1 167693790 344311710 /nfs/dbraw/zinc/31/17/10/344311710.db2.gz DAVPQMYWNFDJQF-VXGBXAGGSA-N 1 0 179.307 2.568 10 30 AFEERO CC[C@H](C)/[NH+]=C/c1ccc(OC)cc1 218863292 344417488 /nfs/dbraw/zinc/41/74/88/344417488.db2.gz PNYFOVCZMJEFJY-YWEFTTLKSA-N 1 0 191.274 2.913 10 30 AFEERO C=C(C)[C@H]([NH3+])[C@@H]1CC[C@@H](CC)C1 219903906 344429411 /nfs/dbraw/zinc/42/94/11/344429411.db2.gz HLBTUDILKNBPRV-MXWKQRLJSA-N 1 0 167.296 2.716 10 30 AFEERO CC#CC[C@H]([NH3+])[C@H]1CCC[C@@H](C)C1 225613435 344483702 /nfs/dbraw/zinc/48/37/02/344483702.db2.gz DJFWJXMVMSMZEN-WOPDTQHZSA-N 1 0 179.307 2.553 10 30 AFEERO CC#CC[C@@H]([NH3+])[C@@H]1CCCC1(C)C 226814860 344514785 /nfs/dbraw/zinc/51/47/85/344514785.db2.gz IRXWPZGJTSUYLJ-WDEREUQCSA-N 1 0 179.307 2.553 10 30 AFEERO C=C[C@H]([NH3+])[C@H]1CCCCC1(C)C 226855270 344516023 /nfs/dbraw/zinc/51/60/23/344516023.db2.gz IOOKURCADFXOHM-ZJUUUORDSA-N 1 0 167.296 2.716 10 30 AFEERO C#CCC[C@H]([NH3+])[C@@H]1CCC[C@H](C)C1 226873756 344516408 /nfs/dbraw/zinc/51/64/08/344516408.db2.gz CROSLNUUJMDVGD-TUAOUCFPSA-N 1 0 179.307 2.553 10 30 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173.687 2.517 10 30 AFEERO C=C(Cl)C[C@H]1C[C@@H](C)CC[NH2+]1 575540475 352603439 /nfs/dbraw/zinc/60/34/39/352603439.db2.gz WEYGMLCHVQQBOK-IONNQARKSA-N 1 0 173.687 2.517 10 30 AFEERO C=C(Cl)C[C@H]1CCC[C@@H]1C[NH3+] 575540470 352603533 /nfs/dbraw/zinc/60/35/33/352603533.db2.gz VXYPMDBTVIRVKM-RKDXNWHRSA-N 1 0 173.687 2.504 10 30 AFEERO C=C(Cl)C[C@H]1CCC[C@H]1C[NH3+] 575540463 352603622 /nfs/dbraw/zinc/60/36/22/352603622.db2.gz VXYPMDBTVIRVKM-BDAKNGLRSA-N 1 0 173.687 2.504 10 30 AFEERO C=C(Cl)C[C@@H]1CCC[C@H]1C[NH3+] 575540468 352603715 /nfs/dbraw/zinc/60/37/15/352603715.db2.gz VXYPMDBTVIRVKM-IUCAKERBSA-N 1 0 173.687 2.504 10 30 AFEERO C=C(Cl)C[C@@H]1CCC[C@@H]1C[NH3+] 575540465 352603759 /nfs/dbraw/zinc/60/37/59/352603759.db2.gz VXYPMDBTVIRVKM-DTWKUNHWSA-N 1 0 173.687 2.504 10 30 AFEERO C=C(Cl)CC1=C[C@@H]([NH3+])C[C@@H](C)C1 575541199 352606979 /nfs/dbraw/zinc/60/69/79/352606979.db2.gz DQCYZLGTRSKLLE-XVKPBYJWSA-N 1 0 185.698 2.813 10 30 AFEERO C=C(Cl)C[C@]1([NH3+])CC[C@H](C)C1 575541279 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194.322 2.658 10 30 AFEERO C=C(C)[C@@H]([NH3+])[C@@H](C)c1ccccc1 235550914 573225685 /nfs/dbraw/zinc/22/56/85/573225685.db2.gz NFDZIUSMQKISKL-CMPLNLGQSA-N 1 0 175.275 2.694 10 30 AFEERO C=CCC[C@H]([NH3+])C(CC)CC 129097346 573225958 /nfs/dbraw/zinc/22/59/58/573225958.db2.gz LCVATMDTUZRJCQ-JTQLQIEISA-N 1 0 155.285 2.716 10 30 AFEERO CC#CCCCC[NH2+]Cc1ccoc1 308520117 573226136 /nfs/dbraw/zinc/22/61/36/573226136.db2.gz OJXWCYRODVIZAX-UHFFFAOYSA-N 1 0 191.274 2.563 10 30 AFEERO CCC(C)(C)C[N@H+](C)[C@@H](C)CC#N 308313181 573230393 /nfs/dbraw/zinc/23/03/93/573230393.db2.gz SUWHVWAMMLQNJS-JTQLQIEISA-N 1 0 182.311 2.657 10 30 AFEERO C=C(C)CC[NH2+]C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 716603874 573230511 /nfs/dbraw/zinc/23/05/11/573230511.db2.gz DYGFPNWWTQKQBP-XQHKEYJVSA-N 1 0 193.334 2.834 10 30 AFEERO C=C(C)CC[NH2+]C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C 716603859 573230548 /nfs/dbraw/zinc/23/05/48/573230548.db2.gz DYGFPNWWTQKQBP-CYDGBPFRSA-N 1 0 193.334 2.834 10 30 AFEERO C=CCC[C@@H]([NH3+])c1cc(OC)cs1 129121066 573237051 /nfs/dbraw/zinc/23/70/51/573237051.db2.gz VYVRAIDDSZVXAM-SECBINFHSA-N 1 0 197.303 2.723 10 30 AFEERO C[C@@H]([N@H+](C)CCC[C@H]1CO1)C(C)(C)C 308526394 573237278 /nfs/dbraw/zinc/23/72/78/573237278.db2.gz PFDCQEURXNVMRM-MNOVXSKESA-N 1 0 199.338 2.532 10 30 AFEERO C=C(C)[C@@H]([NH2+]C)c1ccc(F)cc1 86024554 573237376 /nfs/dbraw/zinc/23/73/76/573237376.db2.gz CYLHFKNIXRCCSZ-LLVKDONJSA-N 1 0 179.238 2.662 10 30 AFEERO C=C(C)[C@H]([NH3+])Cc1ccccc1Cl 86028640 573237569 /nfs/dbraw/zinc/23/75/69/573237569.db2.gz HVGYKQWCAVZLDO-LLVKDONJSA-N 1 0 195.693 2.786 10 30 AFEERO C=C(C)[C@@H]([NH3+])c1ccccc1Cl 86029181 573239352 /nfs/dbraw/zinc/23/93/52/573239352.db2.gz IPVNIDJXBCJXHR-SNVBAGLBSA-N 1 0 181.666 2.916 10 30 AFEERO C=C(CC)C[NH2+]CC(CC)(CC)OC 308529046 573239655 /nfs/dbraw/zinc/23/96/55/573239655.db2.gz QBPDLPCENGRBMT-UHFFFAOYSA-N 1 0 199.338 2.747 10 30 AFEERO COc1ccc(C[NH+]=C2CCC2)cc1 115957056 573239745 /nfs/dbraw/zinc/23/97/45/573239745.db2.gz FJRQTAYJYSVNGA-UHFFFAOYSA-N 1 0 189.258 2.820 10 30 AFEERO C=CCC[C@H]([NH3+])[C@@H](C)C(C)C 129117443 573239801 /nfs/dbraw/zinc/23/98/01/573239801.db2.gz UGNBGXFSKLPBCD-UWVGGRQHSA-N 1 0 155.285 2.572 10 30 AFEERO C=CC[C@H](C)[C@H]([NH3+])[C@@]12CCC[C@@H]1C2 715733078 573247383 /nfs/dbraw/zinc/24/73/83/573247383.db2.gz MWGGDXDZXFWEKD-WHOHXGKFSA-N 1 0 179.307 2.716 10 30 AFEERO CCCC[N@H+](C)C1CCC(C#N)CC1 258610535 573247488 /nfs/dbraw/zinc/24/74/88/573247488.db2.gz BEYIXQLIUMBQKE-UHFFFAOYSA-N 1 0 194.322 2.801 10 30 AFEERO CC#CCCCC[NH2+]CC/C=C/C 308323063 573247513 /nfs/dbraw/zinc/24/75/13/573247513.db2.gz ZXNHIJNVQHJDIB-GQCTYLIASA-N 1 0 179.307 2.736 10 30 AFEERO C=CC[C@@H](C)[C@H](CC1(C)CC1)[NH2+]C 715735502 573251790 /nfs/dbraw/zinc/25/17/90/573251790.db2.gz WODOMBLLEXEDQX-MNOVXSKESA-N 1 0 181.323 2.977 10 30 AFEERO C=CCC[C@H](C)[N@H+]1CC=C(C)CC1 308342094 573271304 /nfs/dbraw/zinc/27/13/04/573271304.db2.gz RNWDZKGOOUYJSG-LBPRGKRZSA-N 1 0 179.307 2.993 10 30 AFEERO C=CC[C@@H](C)[C@H]([NH3+])CCC(F)(F)F 715754039 573271357 /nfs/dbraw/zinc/27/13/57/573271357.db2.gz CXRJPDCMHVJHIS-HTQZYQBOSA-N 1 0 195.228 2.868 10 30 AFEERO C=CCC[C@@H](C)[N@H+]1CC=C(C)CC1 308342093 573271470 /nfs/dbraw/zinc/27/14/70/573271470.db2.gz RNWDZKGOOUYJSG-GFCCVEGCSA-N 1 0 179.307 2.993 10 30 AFEERO CC[C@H](C)[N@@H+]1C=C(C)CC[C@@]1(C)C=O 105603747 573271855 /nfs/dbraw/zinc/27/18/55/573271855.db2.gz MITUNPFPVQLZIB-RYUDHWBXSA-N 1 0 195.306 2.742 10 30 AFEERO C=CC[C@H](C)C([NH3+])(CC)CC 715751202 573271897 /nfs/dbraw/zinc/27/18/97/573271897.db2.gz YEOWLTLHAYIEIA-VIFPVBQESA-N 1 0 155.285 2.716 10 30 AFEERO C=CC[C@H](C)[C@]1(C2CC2)CCC[NH2+]1 715753647 573272133 /nfs/dbraw/zinc/27/21/33/573272133.db2.gz OPDCLKOSDBBTHO-JQWIXIFHSA-N 1 0 179.307 2.731 10 30 AFEERO CC#CCCCC[NH2+]CC(C)(C)C 308320971 573272247 /nfs/dbraw/zinc/27/22/47/573272247.db2.gz BCCDYTNUBAJZFA-UHFFFAOYSA-N 1 0 181.323 2.816 10 30 AFEERO C=CC[C@@H](C)[C@@H]([NH2+]C)C1CCCC1 715751383 573274130 /nfs/dbraw/zinc/27/41/30/573274130.db2.gz BHFZEXCKWLRYKE-ZYHUDNBSSA-N 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C[C@H]1CC[C@@H]1[NH2+]CCCC(C)(C)C#N 308535430 573274284 /nfs/dbraw/zinc/27/42/84/573274284.db2.gz MDHAFMGYWLIXTE-QWRGUYRKSA-N 1 0 194.322 2.704 10 30 AFEERO C[C@@H]1CC[C@@H]1[NH2+]CCCC(C)(C)C#N 308535429 573274414 /nfs/dbraw/zinc/27/44/14/573274414.db2.gz MDHAFMGYWLIXTE-MNOVXSKESA-N 1 0 194.322 2.704 10 30 AFEERO C[C@H]1CC[C@H]1[NH2+]CCCC(C)(C)C#N 308535431 573274514 /nfs/dbraw/zinc/27/45/14/573274514.db2.gz MDHAFMGYWLIXTE-WDEREUQCSA-N 1 0 194.322 2.704 10 30 AFEERO C=CC[C@H](C)c1c(C)cc[nH+]c1N 715757992 573292055 /nfs/dbraw/zinc/29/20/55/573292055.db2.gz QALQLQPGWZQSBK-QMMMGPOBSA-N 1 0 176.263 2.652 10 30 AFEERO C=CC[C@@H](C)c1c(C)cc[nH+]c1N 715757991 573295875 /nfs/dbraw/zinc/29/58/75/573295875.db2.gz QALQLQPGWZQSBK-MRVPVSSYSA-N 1 0 176.263 2.652 10 30 AFEERO C=CC[C@@H](C)/C=C\CC[NH2+]CC 715757993 573296143 /nfs/dbraw/zinc/29/61/43/573296143.db2.gz QBKQBGIMCHZUQI-DHHDDZJSSA-N 1 0 167.296 2.754 10 30 AFEERO C=C(CC[NH3+])Cc1ccc(Cl)cc1 257998760 573298364 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C=C[C@H](C)[C@@H](CC)[NH2+]CCCC 215153907 573325296 /nfs/dbraw/zinc/32/52/96/573325296.db2.gz AVFHRBUORJYNNF-WDEREUQCSA-N 1 0 169.312 2.977 10 30 AFEERO C=CC[C@H](C)[C@H]([NH2+]C)c1cncs1 715771141 573326005 /nfs/dbraw/zinc/32/60/05/573326005.db2.gz KGIPSZIYQJZJLJ-WPRPVWTQSA-N 1 0 196.319 2.616 10 30 AFEERO C=CC[C@H](C)[C@H]1CC[C@@H]1C[NH2+]CC 715771015 573326167 /nfs/dbraw/zinc/32/61/67/573326167.db2.gz FTBBPIXMUKDVHR-QJPTWQEYSA-N 1 0 181.323 2.834 10 30 AFEERO C=CCOCC[NH2+]CCCC(C)(C)C 308549473 573326707 /nfs/dbraw/zinc/32/67/07/573326707.db2.gz PKEOBTXIGLVFGO-UHFFFAOYSA-N 1 0 199.338 2.605 10 30 AFEERO C=CC[C@H](C)[C@H]1CC[C@H]1C[NH2+]CC 715771320 573326849 /nfs/dbraw/zinc/32/68/49/573326849.db2.gz FTBBPIXMUKDVHR-SDDRHHMPSA-N 1 0 181.323 2.834 10 30 AFEERO C=CC[C@H](C)[C@H](C)CC[NH2+]CC 715772061 573326923 /nfs/dbraw/zinc/32/69/23/573326923.db2.gz HZNFTCDBNPQJOO-WDEREUQCSA-N 1 0 169.312 2.834 10 30 AFEERO C=CCO[C@H](C)C[NH2+][C@H](C)CCCC 308560673 573334236 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