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N[C@]1(CN2CN=NC2=O)CCOC1 575460985 352245013 /nfs/dbraw/zinc/24/50/13/352245013.db2.gz ODBRPDVYYQSZHZ-ZETCQYMHSA-N 0 3 184.199 -0.899 10 0 ABAEHN N[C@@]1(CN2CN=NC2=O)CCOC1 575460983 352245163 /nfs/dbraw/zinc/24/51/63/352245163.db2.gz ODBRPDVYYQSZHZ-SSDOTTSWSA-N 0 3 184.199 -0.899 10 0 ABAEHN NCC(=O)NCC1CSC1 575461151 352245948 /nfs/dbraw/zinc/24/59/48/352245948.db2.gz GXMHWVMJIYHKGE-UHFFFAOYSA-N 0 3 160.242 -0.576 10 0 ABAEHN C1COC[C@H](N[C@@H]2CNOC2)C1 575461439 352247182 /nfs/dbraw/zinc/24/71/82/352247182.db2.gz IPNWFTRNPRIYAW-HTQZYQBOSA-N 0 3 172.228 -0.342 10 0 ABAEHN C1COC[C@@H](N[C@@H]2CNOC2)C1 575461441 352247317 /nfs/dbraw/zinc/24/73/17/352247317.db2.gz IPNWFTRNPRIYAW-JGVFFNPUSA-N 0 3 172.228 -0.342 10 0 ABAEHN Cn1cc(-n2ccc(CN)n2)nn1 575461464 352247601 /nfs/dbraw/zinc/24/76/01/352247601.db2.gz NTFXQZGARWUXAC-UHFFFAOYSA-N 0 3 178.199 -0.541 10 0 ABAEHN C1COC[C@@H](N[C@H]2CNOC2)C1 575461444 352247728 /nfs/dbraw/zinc/24/77/28/352247728.db2.gz IPNWFTRNPRIYAW-YUMQZZPRSA-N 0 3 172.228 -0.342 10 0 ABAEHN CC(=O)NC1(C(=N)NO)CC1 575462085 352250005 /nfs/dbraw/zinc/25/00/05/352250005.db2.gz LAHAVIBSPVFRNX-UHFFFAOYSA-N 0 3 157.173 -0.389 10 0 ABAEHN CCO[C@@H]1C[C@H](N)[C@@H]1NC#N 575462199 352250861 /nfs/dbraw/zinc/25/08/61/352250861.db2.gz VUBFIYCMFXXWHD-XVMARJQXSA-N 0 3 155.201 -0.438 10 0 ABAEHN CCO[C@@H]1C[C@H](N)[C@H]1NC#N 575462198 352250964 /nfs/dbraw/zinc/25/09/64/352250964.db2.gz VUBFIYCMFXXWHD-RRKCRQDMSA-N 0 3 155.201 -0.438 10 0 ABAEHN CCO[C@@H]1C[C@@H](N)[C@H]1NC#N 575462196 352251045 /nfs/dbraw/zinc/25/10/45/352251045.db2.gz VUBFIYCMFXXWHD-FSDSQADBSA-N 0 3 155.201 -0.438 10 0 ABAEHN CCO[C@@H]1C[C@@H](N)[C@@H]1NC#N 575462197 352251087 /nfs/dbraw/zinc/25/10/87/352251087.db2.gz VUBFIYCMFXXWHD-QYNIQEEDSA-N 0 3 155.201 -0.438 10 0 ABAEHN NC(N=O)NCC1CSC1 575462332 352251666 /nfs/dbraw/zinc/25/16/66/352251666.db2.gz AVJKAIKZKZJEOI-UHFFFAOYSA-N 0 3 161.230 -0.147 10 0 ABAEHN Cc1cc(=O)[n-]c(CC(N)=[NH2+])n1 575462350 352251780 /nfs/dbraw/zinc/25/17/80/352251780.db2.gz FDOYYXSSZVBSGV-UHFFFAOYSA-N 0 3 166.184 -0.031 10 0 ABAEHN O[C@H](C1=COCC1)[C@H]1COCCN1 575462653 352252206 /nfs/dbraw/zinc/25/22/06/352252206.db2.gz JGNHDYVMIKUOHH-RKDXNWHRSA-N 0 3 185.223 -0.360 10 0 ABAEHN O[C@@H](C1=COCC1)[C@H]1COCCN1 575462650 352252253 /nfs/dbraw/zinc/25/22/53/352252253.db2.gz JGNHDYVMIKUOHH-BDAKNGLRSA-N 0 3 185.223 -0.360 10 0 ABAEHN O[C@@H](C1=COCC1)[C@@H]1COCCN1 575462652 352252414 /nfs/dbraw/zinc/25/24/14/352252414.db2.gz JGNHDYVMIKUOHH-IUCAKERBSA-N 0 3 185.223 -0.360 10 0 ABAEHN O[C@H](C1=COCC1)[C@@H]1COCCN1 575462651 352252505 /nfs/dbraw/zinc/25/25/05/352252505.db2.gz JGNHDYVMIKUOHH-DTWKUNHWSA-N 0 3 185.223 -0.360 10 0 ABAEHN COCC1(NC(N)N=O)CC1 575462765 352252970 /nfs/dbraw/zinc/25/29/70/352252970.db2.gz NDNHVBRABUVLJT-UHFFFAOYSA-N 0 3 159.189 -0.331 10 0 ABAEHN NC1(C(=O)N2CC3(COC3)C2)CC1 575463376 352254506 /nfs/dbraw/zinc/25/45/06/352254506.db2.gz SHINIVKIQSETNW-UHFFFAOYSA-N 0 3 182.223 -0.664 10 0 ABAEHN C[C@H]1CCN(CCNN)C1 575463544 352255071 /nfs/dbraw/zinc/25/50/71/352255071.db2.gz BHJFLWKXONYBFF-ZETCQYMHSA-N 0 3 143.234 -0.209 10 0 ABAEHN C[C@@H]1CCN(CCNN)C1 575463541 352255097 /nfs/dbraw/zinc/25/50/97/352255097.db2.gz BHJFLWKXONYBFF-SSDOTTSWSA-N 0 3 143.234 -0.209 10 0 ABAEHN Cn1nnc(CC2(N)CSC2)n1 575463741 352255934 /nfs/dbraw/zinc/25/59/34/352255934.db2.gz XGLQTUDCNZDKJC-UHFFFAOYSA-N 0 3 185.256 -0.803 10 0 ABAEHN Cn1cnnc1C[C@@H](F)CN 575464014 352256755 /nfs/dbraw/zinc/25/67/55/352256755.db2.gz MGMHQDLPRWJNGU-RXMQYKEDSA-N 0 3 158.180 -0.346 10 0 ABAEHN C[C@@H]1COC[C@@H]1N[C@@H]1CNC(=O)C1 575463977 352256783 /nfs/dbraw/zinc/25/67/83/352256783.db2.gz JWGORQANPMGZDD-CSMHCCOUSA-N 0 3 184.239 -0.501 10 0 ABAEHN Cn1cnnc1C[C@H](F)CN 575464016 352256817 /nfs/dbraw/zinc/25/68/17/352256817.db2.gz MGMHQDLPRWJNGU-YFKPBYRVSA-N 0 3 158.180 -0.346 10 0 ABAEHN C[C@@H]1COC[C@H]1N[C@@H]1CNC(=O)C1 575463978 352256851 /nfs/dbraw/zinc/25/68/51/352256851.db2.gz JWGORQANPMGZDD-GJMOJQLCSA-N 0 3 184.239 -0.501 10 0 ABAEHN C[C@@H]1COC[C@H]1N[C@H]1CNC(=O)C1 575463976 352256987 /nfs/dbraw/zinc/25/69/87/352256987.db2.gz JWGORQANPMGZDD-BWZBUEFSSA-N 0 3 184.239 -0.501 10 0 ABAEHN C[C@@H]1COC[C@@H]1N[C@H]1CNC(=O)C1 575463980 352256999 /nfs/dbraw/zinc/25/69/99/352256999.db2.gz JWGORQANPMGZDD-PRJMDXOYSA-N 0 3 184.239 -0.501 10 0 ABAEHN NC(=S)CN1CC2(COC2)C1 575464211 352257410 /nfs/dbraw/zinc/25/74/10/352257410.db2.gz LZDBLHRJDSTNCV-UHFFFAOYSA-N 0 3 172.253 -0.395 10 0 ABAEHN C[C@@H](C(=N)NO)N1CC2(COC2)C1 575464361 352258406 /nfs/dbraw/zinc/25/84/06/352258406.db2.gz WREHYCVYEUMBKF-LURJTMIESA-N 0 3 185.227 -0.337 10 0 ABAEHN CS(=O)(=O)[C@]1(CN)CCCOC1 575464345 352258455 /nfs/dbraw/zinc/25/84/55/352258455.db2.gz WDABPLLYTJEVFI-ZETCQYMHSA-N 0 3 193.268 -0.461 10 0 ABAEHN C[C@H](C(=N)NO)N1CC2(COC2)C1 575464369 352258463 /nfs/dbraw/zinc/25/84/63/352258463.db2.gz WREHYCVYEUMBKF-ZCFIWIBFSA-N 0 3 185.227 -0.337 10 0 ABAEHN CC1(C)[C@@H](N[C@H]2CNOC2)C[C@H]1O 575464559 352259340 /nfs/dbraw/zinc/25/93/40/352259340.db2.gz FIUNTFJXBVPTLJ-BIIVOSGPSA-N 0 3 186.255 -0.361 10 0 ABAEHN CC1(C)[C@@H](N[C@@H]2CNOC2)C[C@H]1O 575464562 352259468 /nfs/dbraw/zinc/25/94/68/352259468.db2.gz FIUNTFJXBVPTLJ-GJMOJQLCSA-N 0 3 186.255 -0.361 10 0 ABAEHN CC1(C)[C@H](O)C[C@H]1N[C@H]1CNOC1 575464565 352259609 /nfs/dbraw/zinc/25/96/09/352259609.db2.gz FIUNTFJXBVPTLJ-XLPZGREQSA-N 0 3 186.255 -0.361 10 0 ABAEHN CC1(C)[C@H](O)C[C@H]1N[C@@H]1CNOC1 575464561 352259740 /nfs/dbraw/zinc/25/97/40/352259740.db2.gz FIUNTFJXBVPTLJ-BWZBUEFSSA-N 0 3 186.255 -0.361 10 0 ABAEHN N=C(CNC1CSC1)NO 575464782 352260178 /nfs/dbraw/zinc/26/01/78/352260178.db2.gz JAOOUAJLWBNJNM-UHFFFAOYSA-N 0 3 161.230 -0.353 10 0 ABAEHN N[C@@H]1CCO[C@@H]1C(=O)N1CC=CC1 575464905 352261004 /nfs/dbraw/zinc/26/10/04/352261004.db2.gz WQIPNQLSHJAMDX-SFYZADRCSA-N 0 3 182.223 -0.499 10 0 ABAEHN C[C@@](O)(C(F)F)[C@H]1CNCCO1 575465265 352262379 /nfs/dbraw/zinc/26/23/79/352262379.db2.gz FNJUAXMJROMDBS-VDTYLAMSSA-N 0 3 181.182 -0.009 10 0 ABAEHN C[C@@](O)(C(F)F)[C@@H]1CNCCO1 575465263 352262420 /nfs/dbraw/zinc/26/24/20/352262420.db2.gz FNJUAXMJROMDBS-FSPLSTOPSA-N 0 3 181.182 -0.009 10 0 ABAEHN C[C@](O)(C(F)F)[C@@H]1CNCCO1 575465254 352262481 /nfs/dbraw/zinc/26/24/81/352262481.db2.gz FNJUAXMJROMDBS-CAHLUQPWSA-N 0 3 181.182 -0.009 10 0 ABAEHN C[C@](O)(C(F)F)[C@H]1CNCCO1 575465264 352262492 /nfs/dbraw/zinc/26/24/92/352262492.db2.gz FNJUAXMJROMDBS-IYSWYEEDSA-N 0 3 181.182 -0.009 10 0 ABAEHN O[C@@H]1COCC[C@H]1NC1CSC1 575465564 352263728 /nfs/dbraw/zinc/26/37/28/352263728.db2.gz FMAYMUAYMZFYRM-HTQZYQBOSA-N 0 3 189.280 -0.159 10 0 ABAEHN O[C@H]1COCC[C@H]1NC1CSC1 575465574 352263741 /nfs/dbraw/zinc/26/37/41/352263741.db2.gz FMAYMUAYMZFYRM-SFYZADRCSA-N 0 3 189.280 -0.159 10 0 ABAEHN O[C@H]1COCC[C@@H]1NC1CSC1 575465577 352263754 /nfs/dbraw/zinc/26/37/54/352263754.db2.gz FMAYMUAYMZFYRM-YUMQZZPRSA-N 0 3 189.280 -0.159 10 0 ABAEHN O[C@@H]1COCC[C@@H]1NC1CSC1 575465572 352263981 /nfs/dbraw/zinc/26/39/81/352263981.db2.gz FMAYMUAYMZFYRM-JGVFFNPUSA-N 0 3 189.280 -0.159 10 0 ABAEHN N=C(NO)C1(NC(N)=O)CC1 575465712 352264289 /nfs/dbraw/zinc/26/42/89/352264289.db2.gz ORRYUIHSBLPBAE-UHFFFAOYSA-N 0 3 158.161 -0.857 10 0 ABAEHN N#CN1CCC[C@@H](N)C1 575465871 352264967 /nfs/dbraw/zinc/26/49/67/352264967.db2.gz ACMQNDYVVBAFQQ-ZCFIWIBFSA-N 0 3 125.175 -0.109 10 0 ABAEHN CON[C@H](C)[C@H]1CNCCO1 575472221 352289545 /nfs/dbraw/zinc/28/95/45/352289545.db2.gz GVWOLLXBHWQAGT-RNFRBKRXSA-N 0 3 160.217 -0.486 10 0 ABAEHN CO[C@H]1CCN(C#N)[C@@H](CN)C1 575466101 352265794 /nfs/dbraw/zinc/26/57/94/352265794.db2.gz LKEYEOVZHXAZJI-SFYZADRCSA-N 0 3 169.228 -0.094 10 0 ABAEHN CO[C@@H]1CCN(C#N)[C@@H](CN)C1 575466099 352265934 /nfs/dbraw/zinc/26/59/34/352265934.db2.gz LKEYEOVZHXAZJI-HTQZYQBOSA-N 0 3 169.228 -0.094 10 0 ABAEHN CO[C@H]1CCN(C#N)[C@H](CN)C1 575466102 352265984 /nfs/dbraw/zinc/26/59/84/352265984.db2.gz LKEYEOVZHXAZJI-YUMQZZPRSA-N 0 3 169.228 -0.094 10 0 ABAEHN Cn1cc(NC(=O)C2(N)CC2)nn1 575466078 352266149 /nfs/dbraw/zinc/26/61/49/352266149.db2.gz FNESBZZDMMNJTM-UHFFFAOYSA-N 0 3 181.199 -0.755 10 0 ABAEHN CO[C@@H]1CCN(C#N)[C@H](CN)C1 575466100 352266157 /nfs/dbraw/zinc/26/61/57/352266157.db2.gz LKEYEOVZHXAZJI-JGVFFNPUSA-N 0 3 169.228 -0.094 10 0 ABAEHN C[C@H](O)[C@H](N)c1ccnn1C 575466195 352266510 /nfs/dbraw/zinc/26/65/10/352266510.db2.gz NFQDAGRIKDDGGT-FSPLSTOPSA-N 0 3 155.201 -0.199 10 0 ABAEHN C[C@@H](O)[C@@H](N)c1ccnn1C 575466196 352266627 /nfs/dbraw/zinc/26/66/27/352266627.db2.gz NFQDAGRIKDDGGT-IYSWYEEDSA-N 0 3 155.201 -0.199 10 0 ABAEHN CC1CN(C(=O)[C@@H]2OCC[C@@H]2N)C1 575466431 352266701 /nfs/dbraw/zinc/26/67/01/352266701.db2.gz BBCNERSIBLZLOX-JGVFFNPUSA-N 0 3 184.239 -0.419 10 0 ABAEHN C[C@@H](O)[C@H](N)c1ccnn1C 575466197 352266838 /nfs/dbraw/zinc/26/68/38/352266838.db2.gz NFQDAGRIKDDGGT-VDTYLAMSSA-N 0 3 155.201 -0.199 10 0 ABAEHN C[C@H](O)[C@@H](N)c1ccnn1C 575466194 352266951 /nfs/dbraw/zinc/26/69/51/352266951.db2.gz NFQDAGRIKDDGGT-CAHLUQPWSA-N 0 3 155.201 -0.199 10 0 ABAEHN N=C(N)c1ccc(NC(N)=O)cn1 575466572 352267610 /nfs/dbraw/zinc/26/76/10/352267610.db2.gz DATTWFITEKENHW-UHFFFAOYSA-N 0 3 179.183 -0.144 10 0 ABAEHN CN1CC[C@@](N)(c2cn(C)cn2)C1 575466722 352268157 /nfs/dbraw/zinc/26/81/57/352268157.db2.gz YHOKXLHOPJELTF-VIFPVBQESA-N 0 3 180.255 -0.090 10 0 ABAEHN CN1CC[C@](N)(c2cn(C)cn2)C1 575466721 352268331 /nfs/dbraw/zinc/26/83/31/352268331.db2.gz YHOKXLHOPJELTF-SECBINFHSA-N 0 3 180.255 -0.090 10 0 ABAEHN C[C@@H]1COC[C@@H]1NC(N)N=O 575481765 352312466 /nfs/dbraw/zinc/31/24/66/352312466.db2.gz AJHKHFGKWJGTSW-UHNVWZDZSA-N 0 3 159.189 -0.476 10 0 ABAEHN CO[C@@]1(C)C[C@H]1NC(N)N=O 575467512 352271030 /nfs/dbraw/zinc/27/10/30/352271030.db2.gz IPMNUZMLSXUZTB-XINAWCOVSA-N 0 3 159.189 -0.333 10 0 ABAEHN C1CC1CN[C@H]1CNOC1 575467495 352271134 /nfs/dbraw/zinc/27/11/34/352271134.db2.gz DBLVIVREHIZSHM-ZETCQYMHSA-N 0 3 142.202 -0.111 10 0 ABAEHN C1CC1CN[C@@H]1CNOC1 575467494 352271357 /nfs/dbraw/zinc/27/13/57/352271357.db2.gz DBLVIVREHIZSHM-SSDOTTSWSA-N 0 3 142.202 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/nfs/dbraw/zinc/48/06/71/572480671.db2.gz DCEXZGSAQSIKSQ-DTWKUNHWSA-N 0 3 199.298 -0.208 10 0 ABAEHN CCC[C@H](C)N1CCNC[C@@H]1C(N)=O 84022671 572480889 /nfs/dbraw/zinc/48/08/89/572480889.db2.gz GMGPIKWTVXYTLG-DTWKUNHWSA-N 0 3 199.298 -0.066 10 0 ABAEHN CCCCCN1CCNC[C@@H]1C(N)=O 84022409 572481324 /nfs/dbraw/zinc/48/13/24/572481324.db2.gz TXJNTKCMXNBCOD-SECBINFHSA-N 0 3 199.298 -0.064 10 0 ABAEHN C[N@@H+]1CCC[C@H]1[C@H](CN)C(=O)[O-] 250565272 572480988 /nfs/dbraw/zinc/48/09/88/572480988.db2.gz DDIWVKOMJSZBSU-BQBZGAKWSA-N 0 3 172.228 -0.260 10 0 ABAEHN C[N@H+]1CCC[C@H]1[C@H](CN)C(=O)[O-] 250565272 572480994 /nfs/dbraw/zinc/48/09/94/572480994.db2.gz DDIWVKOMJSZBSU-BQBZGAKWSA-N 0 3 172.228 -0.260 10 0 ABAEHN COC[C@@H](C)CC(=O)N1CC(N)C1 87437503 572481090 /nfs/dbraw/zinc/48/10/90/572481090.db2.gz NCENIARSLCVINY-ZETCQYMHSA-N 0 3 186.255 -0.172 10 0 ABAEHN CN1C[C@H](N)[C@@H](O)c2c1c[nH]c2C=O 250576132 572481577 /nfs/dbraw/zinc/48/15/77/572481577.db2.gz FLDIQLUJPHQBJK-SSDLBLMSSA-N 0 3 195.222 -0.362 10 0 ABAEHN CCC(CC)N1CCNC[C@@H]1C(N)=O 84022427 572482247 /nfs/dbraw/zinc/48/22/47/572482247.db2.gz HQGGTJPLHFEFQT-SECBINFHSA-N 0 3 199.298 -0.066 10 0 ABAEHN C[N@@H+]1CCC[C@@H]1[C@H](CN)C(=O)[O-] 250565275 572482711 /nfs/dbraw/zinc/48/27/11/572482711.db2.gz DDIWVKOMJSZBSU-NKWVEPMBSA-N 0 3 172.228 -0.260 10 0 ABAEHN C[N@H+]1CCC[C@@H]1[C@H](CN)C(=O)[O-] 250565275 572482716 /nfs/dbraw/zinc/48/27/16/572482716.db2.gz DDIWVKOMJSZBSU-NKWVEPMBSA-N 0 3 172.228 -0.260 10 0 ABAEHN CN1C[C@H](N)[C@@H](O)c2c[nH]c(C=O)c21 250571128 572482729 /nfs/dbraw/zinc/48/27/29/572482729.db2.gz DWHCFEMBUYNDTL-RCOVLWMOSA-N 0 3 195.222 -0.362 10 0 ABAEHN CCC[C@@H](C)N1CCNC[C@@H]1C(N)=O 84022669 572482764 /nfs/dbraw/zinc/48/27/64/572482764.db2.gz GMGPIKWTVXYTLG-RKDXNWHRSA-N 0 3 199.298 -0.066 10 0 ABAEHN NC[C@@H]1CN(c2cncnc2)C(=O)O1 74247032 572482743 /nfs/dbraw/zinc/48/27/43/572482743.db2.gz YBXXYHNKXIWHNU-SSDOTTSWSA-N 0 3 194.194 -0.240 10 0 ABAEHN CC(C)CCN1CCNC[C@@H]1C(N)=O 84022549 572482750 /nfs/dbraw/zinc/48/27/50/572482750.db2.gz ZIKWDOIXJFNNPS-SECBINFHSA-N 0 3 199.298 -0.208 10 0 ABAEHN NC(=O)[C@@H]1CNCCN1CCC1CC1 84024465 572482828 /nfs/dbraw/zinc/48/28/28/572482828.db2.gz SZIHSDGVHNCKKJ-VIFPVBQESA-N 0 3 197.282 -0.454 10 0 ABAEHN CN1C[C@@H](N)[C@@H](O)c2c1c[nH]c2C=O 250576128 572483077 /nfs/dbraw/zinc/48/30/77/572483077.db2.gz FLDIQLUJPHQBJK-MLUIRONXSA-N 0 3 195.222 -0.362 10 0 ABAEHN COC[C@H](C)CC(=O)N1CC(N)C1 87437505 572483693 /nfs/dbraw/zinc/48/36/93/572483693.db2.gz NCENIARSLCVINY-SSDOTTSWSA-N 0 3 186.255 -0.172 10 0 ABAEHN CC(C)CCN1CCNC[C@H]1C(N)=O 84022551 572483852 /nfs/dbraw/zinc/48/38/52/572483852.db2.gz ZIKWDOIXJFNNPS-VIFPVBQESA-N 0 3 199.298 -0.208 10 0 ABAEHN CN1CCc2nc([C@H](O)CN)ncc21 74246451 572484235 /nfs/dbraw/zinc/48/42/35/572484235.db2.gz JYTWAYXNUFXUFW-MRVPVSSYSA-N 0 3 194.238 -0.539 10 0 ABAEHN CN1C[C@H](C(=O)[O-])[C@H]2CC[N@H+](C)C[C@@H]21 250580342 572484253 /nfs/dbraw/zinc/48/42/53/572484253.db2.gz FYMMUHUHCWUMJG-VGMNWLOBSA-N 0 3 198.266 -0.047 10 0 ABAEHN CN1C[C@H](C(=O)[O-])[C@H]2CC[N@@H+](C)C[C@@H]21 250580342 572484257 /nfs/dbraw/zinc/48/42/57/572484257.db2.gz FYMMUHUHCWUMJG-VGMNWLOBSA-N 0 3 198.266 -0.047 10 0 ABAEHN CN1C[C@@H]2C[NH2+]C[C@@H]2[C@@H](C(=O)[O-])C1 250594520 572484369 /nfs/dbraw/zinc/48/43/69/572484369.db2.gz IGXWFHXXMCCFFT-FXQIFTODSA-N 0 3 184.239 -0.532 10 0 ABAEHN CN1CC[C@@H]2[NH2+]C[C@H](C(=O)[O-])[C@H]2C1 250589129 572484577 /nfs/dbraw/zinc/48/45/77/572484577.db2.gz HEFAJTMFPRNXPR-RNJXMRFFSA-N 0 3 184.239 -0.389 10 0 ABAEHN NC[C@@H](c1cnccn1)N1CC(O)C1 74246436 572484648 /nfs/dbraw/zinc/48/46/48/572484648.db2.gz UFHSDROLVDMBLH-VIFPVBQESA-N 0 3 194.238 -0.847 10 0 ABAEHN CN1C[C@@H]2C[NH2+]C[C@H]2[C@H](C(=O)[O-])C1 250594523 572484654 /nfs/dbraw/zinc/48/46/54/572484654.db2.gz IGXWFHXXMCCFFT-XLPZGREQSA-N 0 3 184.239 -0.532 10 0 ABAEHN C[N@@H+]1CCC[C@H](N)[C@H]1C(=O)[O-] 250582304 572484787 /nfs/dbraw/zinc/48/47/87/572484787.db2.gz GESGGSUOUKTLSA-WDSKDSINSA-N 0 3 158.201 -0.508 10 0 ABAEHN C[N@H+]1CCC[C@H](N)[C@H]1C(=O)[O-] 250582304 572484792 /nfs/dbraw/zinc/48/47/92/572484792.db2.gz GESGGSUOUKTLSA-WDSKDSINSA-N 0 3 158.201 -0.508 10 0 ABAEHN CN1C[C@H](C(=O)[O-])[C@H]2CC[N@H+](C)C[C@H]21 250580338 572485288 /nfs/dbraw/zinc/48/52/88/572485288.db2.gz FYMMUHUHCWUMJG-HRDYMLBCSA-N 0 3 198.266 -0.047 10 0 ABAEHN CN1C[C@H](C(=O)[O-])[C@H]2CC[N@@H+](C)C[C@H]21 250580338 572485293 /nfs/dbraw/zinc/48/52/93/572485293.db2.gz FYMMUHUHCWUMJG-HRDYMLBCSA-N 0 3 198.266 -0.047 10 0 ABAEHN NC[C@H](c1cncnc1)N1CC(O)C1 74246433 572485424 /nfs/dbraw/zinc/48/54/24/572485424.db2.gz GXPVQXSRMZZZRG-SECBINFHSA-N 0 3 194.238 -0.847 10 0 ABAEHN CN1Cc2c(nc[n-]c2=O)[C@@H](C[NH3+])C1 74246519 572485596 /nfs/dbraw/zinc/48/55/96/572485596.db2.gz DQIZCCLXDHDPOE-LURJTMIESA-N 0 3 194.238 -0.742 10 0 ABAEHN CN1C[C@@H]2C[NH2+]CC[C@H]2[C@H](C(=O)[O-])C1 250589182 572485756 /nfs/dbraw/zinc/48/57/56/572485756.db2.gz HELAMLHGSJFUMP-DJLDLDEBSA-N 0 3 198.266 -0.142 10 0 ABAEHN NC[C@@H](c1cccnn1)N1CC(O)C1 74246432 572485807 /nfs/dbraw/zinc/48/58/07/572485807.db2.gz VPGZWBUAZYXFNY-VIFPVBQESA-N 0 3 194.238 -0.847 10 0 ABAEHN Nc1ncc([C@H](N)[C@H](O)C2CC2)cn1 74246437 572485839 /nfs/dbraw/zinc/48/58/39/572485839.db2.gz HMMBXUIOHJPQHN-JGVFFNPUSA-N 0 3 194.238 -0.171 10 0 ABAEHN Nc1ncc([C@@H](N)[C@@H](O)C2CC2)cn1 74246440 572486321 /nfs/dbraw/zinc/48/63/21/572486321.db2.gz HMMBXUIOHJPQHN-SFYZADRCSA-N 0 3 194.238 -0.171 10 0 ABAEHN CCN1[C@H](C)CCNC(=O)[C@H]1CN 250353925 572486351 /nfs/dbraw/zinc/48/63/51/572486351.db2.gz RVIYDPRLVGRYKQ-HTQZYQBOSA-N 0 3 185.271 -0.456 10 0 ABAEHN NC[C@H](c1cccnn1)N1CC(O)C1 74246431 572486598 /nfs/dbraw/zinc/48/65/98/572486598.db2.gz VPGZWBUAZYXFNY-SECBINFHSA-N 0 3 194.238 -0.847 10 0 ABAEHN Cc1nc(-c2nonc2CN)n(C)n1 74246987 572486449 /nfs/dbraw/zinc/48/64/49/572486449.db2.gz TUQZFIGJKCNNBO-UHFFFAOYSA-N 0 3 194.198 -0.368 10 0 ABAEHN Nc1ncc([C@@H](N)[C@H](O)C2CC2)cn1 74246438 572486463 /nfs/dbraw/zinc/48/64/63/572486463.db2.gz HMMBXUIOHJPQHN-HTQZYQBOSA-N 0 3 194.238 -0.171 10 0 ABAEHN CN1C[C@@H]2C[NH2+]C[C@H]2[C@@H](C(=O)[O-])C1 250594522 572486504 /nfs/dbraw/zinc/48/65/04/572486504.db2.gz IGXWFHXXMCCFFT-RNJXMRFFSA-N 0 3 184.239 -0.532 10 0 ABAEHN CN1C[C@@H]2C[NH2+]CC[C@H]2[C@@H](C(=O)[O-])C1 250589187 572486574 /nfs/dbraw/zinc/48/65/74/572486574.db2.gz HELAMLHGSJFUMP-YIZRAAEISA-N 0 3 198.266 -0.142 10 0 ABAEHN CN1Cc2c(nc[n-]c2=O)[C@H](C[NH3+])C1 74246518 572486792 /nfs/dbraw/zinc/48/67/92/572486792.db2.gz DQIZCCLXDHDPOE-ZCFIWIBFSA-N 0 3 194.238 -0.742 10 0 ABAEHN CN1CCc2nc([C@@H](O)CN)ncc21 74246452 572486828 /nfs/dbraw/zinc/48/68/28/572486828.db2.gz JYTWAYXNUFXUFW-QMMMGPOBSA-N 0 3 194.238 -0.539 10 0 ABAEHN Nc1ncc([C@H](N)[C@@H](O)C2CC2)cn1 74246439 572486979 /nfs/dbraw/zinc/48/69/79/572486979.db2.gz HMMBXUIOHJPQHN-YUMQZZPRSA-N 0 3 194.238 -0.171 10 0 ABAEHN COC(=O)[C@H](N)C[C@@H]1CCCN1C 250600905 572489720 /nfs/dbraw/zinc/48/97/20/572489720.db2.gz JYXOJDJKCGWOKN-JGVFFNPUSA-N 0 3 186.255 -0.029 10 0 ABAEHN CC(=O)N1CCc2nc(CN)[nH]c2C1 74246530 572487154 /nfs/dbraw/zinc/48/71/54/572487154.db2.gz OKICGUTVCAWRSE-UHFFFAOYSA-N 0 3 194.238 -0.227 10 0 ABAEHN COC(=O)[C@@H]1CN(C)C[C@@H]1O 250589640 572487293 /nfs/dbraw/zinc/48/72/93/572487293.db2.gz HEMPNABVGCBXOA-RITPCOANSA-N 0 3 159.185 -0.918 10 0 ABAEHN CN1C[C@@H](C(=O)[O-])[C@H]2CC[N@@H+](C)C[C@@H]21 250580335 572488211 /nfs/dbraw/zinc/48/82/11/572488211.db2.gz FYMMUHUHCWUMJG-HLTSFMKQSA-N 0 3 198.266 -0.047 10 0 ABAEHN COC[C@H](NC(CO)CO)C1CC1 87481267 572489389 /nfs/dbraw/zinc/48/93/89/572489389.db2.gz BLJRUUUCKGUSPH-VIFPVBQESA-N 0 3 189.255 -0.646 10 0 ABAEHN CN1CC[C@@H]2[NH2+]C[C@@H](C(=O)[O-])[C@H]2C1 250589124 572487718 /nfs/dbraw/zinc/48/77/18/572487718.db2.gz HEFAJTMFPRNXPR-PRJMDXOYSA-N 0 3 184.239 -0.389 10 0 ABAEHN CCN1[C@@H](C)CCNC(=O)[C@H]1CN 250353928 572487836 /nfs/dbraw/zinc/48/78/36/572487836.db2.gz RVIYDPRLVGRYKQ-JGVFFNPUSA-N 0 3 185.271 -0.456 10 0 ABAEHN CN1CC[C@H](NC(=O)C2CC2)[C@@H](N)C1 250603708 572489436 /nfs/dbraw/zinc/48/94/36/572489436.db2.gz 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