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168.240 0.946 10 0 ACAEMN Cc1n[nH]c(C)c1[C@@H]1CNCCC1=O 74247935 573288126 /nfs/dbraw/zinc/28/81/26/573288126.db2.gz NYGWCDPZVOPJCC-MRVPVSSYSA-N 0 1 193.250 0.673 10 0 ACAEMN C[C@H](CC(N)=O)N[C@H](C)c1cc[nH]n1 129434426 573288255 /nfs/dbraw/zinc/28/82/55/573288255.db2.gz WLSBPYPQKRCIRI-RNFRBKRXSA-N 0 1 196.254 0.324 10 0 ACAEMN CC(=O)N1CCCC[C@H](C(=O)CN)C1 259069947 573288261 /nfs/dbraw/zinc/28/82/61/573288261.db2.gz BYTIYLKUEHIGFE-VIFPVBQESA-N 0 1 198.266 0.163 10 0 ACAEMN Cc1ccc([C@@H]2NCCC[C@@H]2O)nn1 74247960 573288482 /nfs/dbraw/zinc/28/84/82/573288482.db2.gz RXIRUYMCKSFRJO-UWVGGRQHSA-N 0 1 193.250 0.570 10 0 ACAEMN Cc1cc(-c2nc([C@H](C)N)no2)n[nH]1 74248465 573288003 /nfs/dbraw/zinc/28/80/03/573288003.db2.gz UGHSVCZHEQDEKE-YFKPBYRVSA-N 0 1 193.210 0.788 10 0 ACAEMN C[C@H](N)c1ocnc1CO 257994948 573290520 /nfs/dbraw/zinc/29/05/20/573290520.db2.gz LDXAONOSTLRLHD-BYPYZUCNSA-N 0 1 142.158 0.187 10 0 ACAEMN Cc1cc(-c2nc([C@@H](C)N)no2)n[nH]1 74248466 573290560 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573778779 /nfs/dbraw/zinc/77/87/79/573778779.db2.gz RHMGRSNCRAZIQJ-IUCAKERBSA-N 0 1 198.266 0.287 10 0 ACAEMN O=C([O-])[C@H]1CC[N@@H+]2CCCC[C@H]2CN1 257876170 573778832 /nfs/dbraw/zinc/77/88/32/573778832.db2.gz RHMGRSNCRAZIQJ-DTWKUNHWSA-N 0 1 198.266 0.287 10 0 ACAEMN O=C([O-])[C@H]1CC[N@H+]2CCCC[C@H]2CN1 257876170 573778838 /nfs/dbraw/zinc/77/88/38/573778838.db2.gz RHMGRSNCRAZIQJ-DTWKUNHWSA-N 0 1 198.266 0.287 10 0 ACAEMN O=C([O-])[C@@H]1CC[N@@H+]2CCCC[C@@H]2CN1 257876167 573778960 /nfs/dbraw/zinc/77/89/60/573778960.db2.gz RHMGRSNCRAZIQJ-BDAKNGLRSA-N 0 1 198.266 0.287 10 0 ACAEMN O=C([O-])[C@@H]1CC[N@H+]2CCCC[C@@H]2CN1 257876167 573778963 /nfs/dbraw/zinc/77/89/63/573778963.db2.gz RHMGRSNCRAZIQJ-BDAKNGLRSA-N 0 1 198.266 0.287 10 0 ACAEMN CN(C)[C@H]1CCC=CN1 100227231 573781209 /nfs/dbraw/zinc/78/12/09/573781209.db2.gz STLDTLKCUWVSSP-ZETCQYMHSA-N 0 1 126.203 0.771 10 0 ACAEMN CN(C)[C@@H]1CCC=CN1 100227223 573781258 /nfs/dbraw/zinc/78/12/58/573781258.db2.gz STLDTLKCUWVSSP-SSDOTTSWSA-N 0 1 126.203 0.771 10 0 ACAEMN NCc1nc(N)c2c(n1)CSCC2 257876349 573781333 /nfs/dbraw/zinc/78/13/33/573781333.db2.gz URFJEKKNAJEGLK-UHFFFAOYSA-N 0 1 196.279 0.307 10 0 ACAEMN O=C([O-])[C@H]1CC[N@@H+]2CCCC[C@@H]2CN1 257876175 573781457 /nfs/dbraw/zinc/78/14/57/573781457.db2.gz RHMGRSNCRAZIQJ-RKDXNWHRSA-N 0 1 198.266 0.287 10 0 ACAEMN O=C([O-])[C@H]1CC[N@H+]2CCCC[C@@H]2CN1 257876175 573781463 /nfs/dbraw/zinc/78/14/63/573781463.db2.gz RHMGRSNCRAZIQJ-RKDXNWHRSA-N 0 1 198.266 0.287 10 0 ACAEMN CN[C@@H](C(=O)[O-])[C@@H]([NH2+]C)C1CCC1 259186994 573781787 /nfs/dbraw/zinc/78/17/87/573781787.db2.gz KESWYQNYXZARHT-JGVFFNPUSA-N 0 1 186.255 0.047 10 0 ACAEMN CN[C@@H](C1CCC1)[C@@H]([NH2+]C)C(=O)[O-] 259186994 573781791 /nfs/dbraw/zinc/78/17/91/573781791.db2.gz KESWYQNYXZARHT-JGVFFNPUSA-N 0 1 186.255 0.047 10 0 ACAEMN CCC(O)=C(F)C(C)=O 100218154 573781805 /nfs/dbraw/zinc/78/18/05/573781805.db2.gz GMYLGHTUQBCZMO-ZCFIWIBFSA-N 0 1 132.134 0.893 10 0 ACAEMN N[C@H](CO)c1c(F)ccc2c1OCO2 108375055 573783083 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/nfs/dbraw/zinc/15/17/86/573151786.db2.gz BSPZHCSWOIKVKZ-MRVPVSSYSA-N 0 1 165.196 0.253 10 0 ACAEMN CN[C@H](c1ccccc1)[C@H]([NH3+])C(=O)[O-] 259346654 573152078 /nfs/dbraw/zinc/15/20/78/573152078.db2.gz KMVDTIWMTMVGGS-DTWKUNHWSA-N 0 1 194.234 0.359 10 0 ACAEMN CCSc1nn[nH]c1C(N)=O 238292582 573152155 /nfs/dbraw/zinc/15/21/55/573152155.db2.gz PKUUDWYBSQWGOF-UHFFFAOYSA-N 0 1 172.213 0.016 10 0 ACAEMN CN(C)CC(=O)CC1CC1 85793176 573153003 /nfs/dbraw/zinc/15/30/03/573153003.db2.gz ZCBCEZGXCRCDNG-UHFFFAOYSA-N 0 1 141.214 0.917 10 0 ACAEMN Cc1cc(N(C)N)nc2n[nH]c(N)c12 238292424 573152861 /nfs/dbraw/zinc/15/28/61/573152861.db2.gz RKLJFNVFXJCIBH-UHFFFAOYSA-N 0 1 192.226 0.158 10 0 ACAEMN COC[C@H](N)c1cccc(F)n1 104667621 573152943 /nfs/dbraw/zinc/15/29/43/573152943.db2.gz CUEJCABWURARGG-LURJTMIESA-N 0 1 170.187 0.867 10 0 ACAEMN [NH3+][C@@H](CCO)c1ccncc1[O-] 104668568 573153058 /nfs/dbraw/zinc/15/30/58/573153058.db2.gz SEPBOLKEIPENSS-ZETCQYMHSA-N 0 1 168.196 0.169 10 0 ACAEMN COCC[C@H](COC)NC1COC1 308284097 573153080 /nfs/dbraw/zinc/15/30/80/573153080.db2.gz ZLWNJLKMCDTTCJ-MRVPVSSYSA-N 0 1 189.255 0.026 10 0 ACAEMN C[C@@]1([P@](C)(=O)[O-])[NH2+]CCS1 115053055 573153243 /nfs/dbraw/zinc/15/32/43/573153243.db2.gz XGAGVGSMWMFFHR-YFKPBYRVSA-N 0 1 181.197 0.897 10 0 ACAEMN C[N@H+]1CCC[C@H]1[C@@H](F)CC(=O)[O-] 238291636 573153351 /nfs/dbraw/zinc/15/33/51/573153351.db2.gz IOONJMICVDJHII-BQBZGAKWSA-N 0 1 175.203 0.893 10 0 ACAEMN CN(C)Cc1cnc2c(N)cccn12 258553639 573153727 /nfs/dbraw/zinc/15/37/27/573153727.db2.gz OOCACEVWTWFBLR-UHFFFAOYSA-N 0 1 190.250 0.978 10 0 ACAEMN [O-]c1cnccc1[C@H]1CC[NH2+]1 104667478 573153692 /nfs/dbraw/zinc/15/36/92/573153692.db2.gz UQKLFHZFQZUWIC-SSDOTTSWSA-N 0 1 150.181 0.822 10 0 ACAEMN C[C@]1([P@](C)(=O)[O-])[NH2+]CCS1 115053054 573153947 /nfs/dbraw/zinc/15/39/47/573153947.db2.gz XGAGVGSMWMFFHR-RXMQYKEDSA-N 0 1 181.197 0.897 10 0 ACAEMN COCNCc1ccncc1 258554835 573154051 /nfs/dbraw/zinc/15/40/51/573154051.db2.gz AYAYEVUERKYKLK-UHFFFAOYSA-N 0 1 152.197 0.775 10 0 ACAEMN COCC[C@@H](COC)NC1COC1 308284098 573154115 /nfs/dbraw/zinc/15/41/15/573154115.db2.gz ZLWNJLKMCDTTCJ-QMMMGPOBSA-N 0 1 189.255 0.026 10 0 ACAEMN CCc1[nH]c(C2(CO)COC2)nc1C 258542375 573154157 /nfs/dbraw/zinc/15/41/57/573154157.db2.gz JUGVPHKFEWCSGO-UHFFFAOYSA-N 0 1 196.250 0.541 10 0 ACAEMN CN1C[C@@H](F)[C@@H](CCO)C1 258552699 573154226 /nfs/dbraw/zinc/15/42/26/573154226.db2.gz PPSSBYSLQAQYIR-NKWVEPMBSA-N 0 1 147.193 0.269 10 0 ACAEMN N[C@H]1COc2c(O)cc(O)cc21 104668229 573154773 /nfs/dbraw/zinc/15/47/73/573154773.db2.gz WINCWVKKPPQSAG-LURJTMIESA-N 0 1 167.164 0.490 10 0 ACAEMN COC[C@@H](N)c1ccc(O)cn1 104668072 573154878 /nfs/dbraw/zinc/15/48/78/573154878.db2.gz NCABDNURJPEGPV-SSDOTTSWSA-N 0 1 168.196 0.433 10 0 ACAEMN CN[C@H](c1ccccc1)[C@@H]([NH3+])C(=O)[O-] 259346659 573155108 /nfs/dbraw/zinc/15/51/08/573155108.db2.gz KMVDTIWMTMVGGS-RKDXNWHRSA-N 0 1 194.234 0.359 10 0 ACAEMN CN1C[C@H](CCO)[C@@H](F)C1 258552695 573155176 /nfs/dbraw/zinc/15/51/76/573155176.db2.gz PPSSBYSLQAQYIR-BQBZGAKWSA-N 0 1 147.193 0.269 10 0 ACAEMN CN[C@@H](c1ccccc1)[C@@H]([NH3+])C(=O)[O-] 259346651 573155429 /nfs/dbraw/zinc/15/54/29/573155429.db2.gz KMVDTIWMTMVGGS-BDAKNGLRSA-N 0 1 194.234 0.359 10 0 ACAEMN CN1C[C@H](F)[C@H](CCO)C1 258552704 573156238 /nfs/dbraw/zinc/15/62/38/573156238.db2.gz PPSSBYSLQAQYIR-RQJHMYQMSA-N 0 1 147.193 0.269 10 0 ACAEMN CN1C[C@@H](F)[C@H](CCO)C1 258552701 573155524 /nfs/dbraw/zinc/15/55/24/573155524.db2.gz PPSSBYSLQAQYIR-RNFRBKRXSA-N 0 1 147.193 0.269 10 0 ACAEMN CC(C)[N@H+]1C2CC(C2)[C@@H]1C(=O)[O-] 258552728 573155682 /nfs/dbraw/zinc/15/56/82/573155682.db2.gz PQHGESBZNDHKCN-KAVNDROISA-N 0 1 169.224 0.942 10 0 ACAEMN CN1CCCc2c1nc(N)[nH]c2=O 238293509 573155919 /nfs/dbraw/zinc/15/59/19/573155919.db2.gz HSQFJIRWRRJJCD-UHFFFAOYSA-N 0 1 180.211 0.147 10 0 ACAEMN Nc1cccnc1[C@H](N)CCO 104671451 573156098 /nfs/dbraw/zinc/15/60/98/573156098.db2.gz CROKHJFICJMQOQ-SSDOTTSWSA-N 0 1 167.212 0.046 10 0 ACAEMN CN(N=O)c1[nH]c(=O)nc2nc[nH]c12 238293966 573156119 /nfs/dbraw/zinc/15/61/19/573156119.db2.gz YRGKZAPUZZKOQB-UHFFFAOYSA-N 0 1 194.154 0.176 10 0 ACAEMN COC[C@@H](N)c1cccc(N)n1 104672523 573156352 /nfs/dbraw/zinc/15/63/52/573156352.db2.gz SZECGOHYLJSYQE-ZCFIWIBFSA-N 0 1 167.212 0.310 10 0 ACAEMN CC[N@H+]1CC2CC(C2)[C@H]1C(=O)[O-] 258543926 573156980 /nfs/dbraw/zinc/15/69/80/573156980.db2.gz OSQWKBXIDVKSIB-RRQHEKLDSA-N 0 1 169.224 0.801 10 0 ACAEMN CC(C)[N@H+]1C2CC(C2)[C@H]1C(=O)[O-] 258552731 573156407 /nfs/dbraw/zinc/15/64/07/573156407.db2.gz PQHGESBZNDHKCN-RRQHEKLDSA-N 0 1 169.224 0.942 10 0 ACAEMN CCc1cc(NN)nc(CN(C)C)n1 85801528 573156539 /nfs/dbraw/zinc/15/65/39/573156539.db2.gz OPDRCGQXULZZOE-UHFFFAOYSA-N 0 1 195.270 0.386 10 0 ACAEMN Nc1cc([NH3+])cc(C(=O)[O-])c1N 114999300 573156602 /nfs/dbraw/zinc/15/66/02/573156602.db2.gz GZGKVTXSCNPTPE-UHFFFAOYSA-N 0 1 167.168 0.131 10 0 ACAEMN Cc1cc(NN)nc(CN(C)C)n1 85801481 573156856 /nfs/dbraw/zinc/15/68/56/573156856.db2.gz IGDUNCAHVCLKEF-UHFFFAOYSA-N 0 1 181.243 0.132 10 0 ACAEMN COC[C@H](N)c1ccc(O)cn1 104670742 573157992 /nfs/dbraw/zinc/15/79/92/573157992.db2.gz NCABDNURJPEGPV-ZETCQYMHSA-N 0 1 168.196 0.433 10 0 ACAEMN Cc1cc([C@@]2(CO)CCCN2C)on1 238292845 573157382 /nfs/dbraw/zinc/15/73/82/573157382.db2.gz QGXYZFZHHQPSEY-JTQLQIEISA-N 0 1 196.250 0.896 10 0 ACAEMN CCNc1nc(=O)[nH]c2c1CNC2 259348746 573157920 /nfs/dbraw/zinc/15/79/20/573157920.db2.gz FBVBBXIJAMXCHP-UHFFFAOYSA-N 0 1 180.211 0.217 10 0 ACAEMN Cc1cc([C@H]([NH3+])C(=O)[O-])oc1C 104672287 573158192 /nfs/dbraw/zinc/15/81/92/573158192.db2.gz WMUUIEVLDVMJFR-ZETCQYMHSA-N 0 1 169.180 0.981 10 0 ACAEMN CN1CCC(n2cc(C=O)nn2)CC1 238294192 573158289 /nfs/dbraw/zinc/15/82/89/573158289.db2.gz NONKOWFJEQZCQF-UHFFFAOYSA-N 0 1 194.238 0.357 10 0 ACAEMN CC(=O)c1noc(CCN(C)C)n1 257958805 573159039 /nfs/dbraw/zinc/15/90/39/573159039.db2.gz JDIYLXDJEAFHOF-UHFFFAOYSA-N 0 1 183.211 0.376 10 0 ACAEMN CN1CC[C@@H](c2cc(C=O)n(C)n2)C1 259348947 573159089 /nfs/dbraw/zinc/15/90/89/573159089.db2.gz UEGWAAFIUCETRI-MRVPVSSYSA-N 0 1 193.250 0.652 10 0 ACAEMN CC[C@@H]([C@H](C)[NH3+])[P@](=O)([O-])O 238294236 573159149 /nfs/dbraw/zinc/15/91/49/573159149.db2.gz SGVSSKNWYHIXTA-WHFBIAKZSA-N 0 1 167.145 0.290 10 0 ACAEMN Cc1[nH+]c(C(=O)[O-])c2ccncn12 258560553 573159477 /nfs/dbraw/zinc/15/94/77/573159477.db2.gz IUXAVQKEKPDERA-UHFFFAOYSA-N 0 1 177.163 0.736 10 0 ACAEMN C[N@H+]1CCC[C@]2(C(=O)[O-])COCC[C@@H]12 238293008 573159712 /nfs/dbraw/zinc/15/97/12/573159712.db2.gz GBDIXGNJQUZJEZ-SCZZXKLOSA-N 0 1 199.250 0.572 10 0 ACAEMN CCN(CC)Cc1cc(N)n[nH]1 259349446 573159764 /nfs/dbraw/zinc/15/97/64/573159764.db2.gz YNXBRPREAWFTLU-UHFFFAOYSA-N 0 1 168.244 0.834 10 0 ACAEMN CCN(C)CC(=O)N[C@H](C)C1CC1 308507341 573160430 /nfs/dbraw/zinc/16/04/30/573160430.db2.gz ZYEUGVYUOXJAHC-MRVPVSSYSA-N 0 1 184.283 0.853 10 0 ACAEMN CC(C)(C)Cc1nnc(CN)[nH]1 82675122 573160889 /nfs/dbraw/zinc/16/08/89/573160889.db2.gz IBHLHXLMDIOCLX-UHFFFAOYSA-N 0 1 168.244 0.852 10 0 ACAEMN CN(C)[C@]1(C)C(=O)CCC[C@H]1O 238294665 573160896 /nfs/dbraw/zinc/16/08/96/573160896.db2.gz VOUGCBCQMKSXKR-APPZFPTMSA-N 0 1 171.240 0.421 10 0 ACAEMN CN(C)[C@]1(C)C(=O)CCC[C@@H]1O 238294658 573161183 /nfs/dbraw/zinc/16/11/83/573161183.db2.gz VOUGCBCQMKSXKR-CBAPKCEASA-N 0 1 171.240 0.421 10 0 ACAEMN CC(C)[C@@H](CO)N1CCOCC1 123737128 573161244 /nfs/dbraw/zinc/16/12/44/573161244.db2.gz VCFNAPBGYAMCSJ-SECBINFHSA-N 0 1 173.256 0.336 10 0 ACAEMN CC1CC(n2nnnc2CN)C1 123750125 573162149 /nfs/dbraw/zinc/16/21/49/573162149.db2.gz NWCJAWPQBBLAHI-UHFFFAOYSA-N 0 1 167.216 0.103 10 0 ACAEMN CN1CC[C@H](c2cc(C=O)n(C)n2)C1 259348950 573162266 /nfs/dbraw/zinc/16/22/66/573162266.db2.gz UEGWAAFIUCETRI-QMMMGPOBSA-N 0 1 193.250 0.652 10 0 ACAEMN CN(CC(N)=O)CC1(C(F)F)CC1 308284817 573162396 /nfs/dbraw/zinc/16/23/96/573162396.db2.gz BGYVXEMDEMJMPD-UHFFFAOYSA-N 0 1 192.209 0.449 10 0 ACAEMN NCc1nccn1-c1ncccn1 82703642 573162410 /nfs/dbraw/zinc/16/24/10/573162410.db2.gz NVXSQJFAJSPYRG-UHFFFAOYSA-N 0 1 175.195 0.121 10 0 ACAEMN CCOc1n[nH]c2c1CNCC2 238296399 573162536 /nfs/dbraw/zinc/16/25/36/573162536.db2.gz KHEJRNAYHAXMTO-UHFFFAOYSA-N 0 1 167.212 0.454 10 0 ACAEMN CC[C@H](C)[N@@H+](C)[C@H](COC)C(=O)[O-] 299993632 573162584 /nfs/dbraw/zinc/16/25/84/573162584.db2.gz CAVUHCAFUAKCJZ-JGVFFNPUSA-N 0 1 189.255 0.816 10 0 ACAEMN COc1cc(=O)[n-]c([C@@H](C)[NH3+])n1 258560038 573163722 /nfs/dbraw/zinc/16/37/22/573163722.db2.gz QJDQGUVQZPRNDZ-SCSAIBSYSA-N 0 1 169.184 0.211 10 0 ACAEMN COc1cccnc1[C@@H](N)[C@@H](C)O 104674496 573163122 /nfs/dbraw/zinc/16/31/22/573163122.db2.gz NMHBRVCVUKVFQE-SVRRBLITSA-N 0 1 182.223 0.471 10 0 ACAEMN COc1cccnc1[C@@H](N)[C@H](C)O 104674491 573163140 /nfs/dbraw/zinc/16/31/40/573163140.db2.gz NMHBRVCVUKVFQE-XPUUQOCRSA-N 0 1 182.223 0.471 10 0 ACAEMN CCN(C)CC(=O)N[C@@H](C)C1CC1 308507342 573163274 /nfs/dbraw/zinc/16/32/74/573163274.db2.gz ZYEUGVYUOXJAHC-QMMMGPOBSA-N 0 1 184.283 0.853 10 0 ACAEMN CCOC(=O)[C@H]1CCc2[nH]nnc2C1 259602272 573163525 /nfs/dbraw/zinc/16/35/25/573163525.db2.gz CXJBHFSVVSRUED-LURJTMIESA-N 0 1 195.222 0.473 10 0 ACAEMN CCOC(=O)[C@H]1CCc2nn[nH]c2C1 259602272 573163533 /nfs/dbraw/zinc/16/35/33/573163533.db2.gz CXJBHFSVVSRUED-LURJTMIESA-N 0 1 195.222 0.473 10 0 ACAEMN C/C=C(\C)C(=O)NCc1c[nH]nn1 308289090 573165103 /nfs/dbraw/zinc/16/51/03/573165103.db2.gz GAFIWLVSOAQWOE-ZZXKWVIFSA-N 0 1 180.211 0.387 10 0 ACAEMN O=C1N[C@@H](CNCc2ccco2)CO1 308512893 573164306 /nfs/dbraw/zinc/16/43/06/573164306.db2.gz LAUWOIWXYPSHKG-ZETCQYMHSA-N 0 1 196.206 0.478 10 0 ACAEMN CCOC(=O)[C@@H]1CCc2nn[nH]c2C1 259602274 573164581 /nfs/dbraw/zinc/16/45/81/573164581.db2.gz CXJBHFSVVSRUED-ZCFIWIBFSA-N 0 1 195.222 0.473 10 0 ACAEMN CCOC(=O)[C@@H]1CCc2[nH]nnc2C1 259602274 573164572 /nfs/dbraw/zinc/16/45/72/573164572.db2.gz CXJBHFSVVSRUED-ZCFIWIBFSA-N 0 1 195.222 0.473 10 0 ACAEMN COc1cc(=O)[n-]c([C@H](C)[NH3+])n1 258560035 573164684 /nfs/dbraw/zinc/16/46/84/573164684.db2.gz QJDQGUVQZPRNDZ-BYPYZUCNSA-N 0 1 169.184 0.211 10 0 ACAEMN COc1cccnc1[C@@](C)(N)CO 104674504 573164874 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BCDWSVNYSKNUMH-UHFFFAOYSA-N 0 1 167.212 0.723 10 0 ACAEMN CCCC(=O)CN1CCCN(C)CC1 50184114 573264461 /nfs/dbraw/zinc/26/44/61/573264461.db2.gz ICANHMQNGNAQKY-UHFFFAOYSA-N 0 1 198.310 0.993 10 0 ACAEMN CN(C)C[C@H]1[C@H](O)CCC[N@H+]1C 238327451 573266607 /nfs/dbraw/zinc/26/66/07/573266607.db2.gz DUDLKYLLOOTZOY-DTWKUNHWSA-N 0 1 172.272 0.003 10 0 ACAEMN C[NH2+][C@H](C)c1c(CO)cnc(C)c1[O-] 238327778 573264630 /nfs/dbraw/zinc/26/46/30/573264630.db2.gz HRSUJLGTERZBNH-ZCFIWIBFSA-N 0 1 196.250 0.868 10 0 ACAEMN Cc1ccc(N)c(N(C)[C@H](C)CO)n1 123935137 573264871 /nfs/dbraw/zinc/26/48/71/573264871.db2.gz GRVBVEARTVCNPQ-MRVPVSSYSA-N 0 1 195.266 0.789 10 0 ACAEMN C[N@H+]1CC[C@@H]2C[C@@H](C(=O)[O-])[C@@H]2C1 238327869 573264898 /nfs/dbraw/zinc/26/48/98/573264898.db2.gz RZGKTCLIUXQXCM-BWZBUEFSSA-N 0 1 169.224 0.659 10 0 ACAEMN COC[C@@H]1CCC[N@H+]1C/C=C\C(=O)[O-] 77985455 573264921 /nfs/dbraw/zinc/26/49/21/573264921.db2.gz AWBPFPDNSGGTCE-LVCFMKKZSA-N 0 1 199.250 0.738 10 0 ACAEMN CCc1nc(=O)[nH]c(=S)[nH]1 238327980 573264935 /nfs/dbraw/zinc/26/49/35/573264935.db2.gz OITRKBNGTIRZHL-UHFFFAOYSA-N 0 1 157.198 0.390 10 0 ACAEMN COC(=O)c1cc(NC(C)=O)n[nH]1 142355819 573265058 /nfs/dbraw/zinc/26/50/58/573265058.db2.gz YOBQQSNOZUVLJW-UHFFFAOYSA-N 0 1 183.167 0.155 10 0 ACAEMN CC(C)C(=O)[C@@H]1CN(C)CCN1 259061051 573265303 /nfs/dbraw/zinc/26/53/03/573265303.db2.gz CQERZBBFQQRLJT-QMMMGPOBSA-N 0 1 170.256 0.115 10 0 ACAEMN CN(C)C[C@H]1OC(C)(C)CC1=O 238327321 573265545 /nfs/dbraw/zinc/26/55/45/573265545.db2.gz SJZLEGVPXNEYEM-MRVPVSSYSA-N 0 1 171.240 0.685 10 0 ACAEMN Nc1cncc(CN2CCC2)c1 257986605 573265856 /nfs/dbraw/zinc/26/58/56/573265856.db2.gz BJZKEJIPCVHOIG-UHFFFAOYSA-N 0 1 163.224 0.870 10 0 ACAEMN NOCCc1cccc2nc[nH]c12 257986571 573265904 /nfs/dbraw/zinc/26/59/04/573265904.db2.gz KEQBATPOMJHERO-UHFFFAOYSA-N 0 1 177.207 0.996 10 0 ACAEMN CCOc1cnn(CC(=N)NO)c1 393579165 573266006 /nfs/dbraw/zinc/26/60/06/573266006.db2.gz CGPHJHZBAVMMGB-UHFFFAOYSA-N 0 1 184.199 0.238 10 0 ACAEMN CCNCc1cc(CN2CCC2)on1 308532138 573266163 /nfs/dbraw/zinc/26/61/63/573266163.db2.gz LDALHMDCIKTGNH-UHFFFAOYSA-N 0 1 195.266 0.990 10 0 ACAEMN CCn1ccnc1NC(C)(CO)CO 129278366 573267761 /nfs/dbraw/zinc/26/77/61/573267761.db2.gz XISSASIDEMNCHJ-UHFFFAOYSA-N 0 1 199.254 0.058 10 0 ACAEMN COC[C@@H]1CCC[N@H+]1C/C=C/C(=O)[O-] 77985459 573266537 /nfs/dbraw/zinc/26/65/37/573266537.db2.gz AWBPFPDNSGGTCE-SGRBOOSSSA-N 0 1 199.250 0.738 10 0 ACAEMN C[C@@H](C[NH2+]CC(F)F)C(=O)[O-] 147587749 573266717 /nfs/dbraw/zinc/26/67/17/573266717.db2.gz YZIMNXZCEZTHLH-BYPYZUCNSA-N 0 1 167.155 0.562 10 0 ACAEMN NCc1coc([C@H]2CCC[NH2+]2)n1 258266603 573266744 /nfs/dbraw/zinc/26/67/44/573266744.db2.gz XPADIPJPXLKXAO-SSDOTTSWSA-N 0 1 167.212 0.558 10 0 ACAEMN CC1(CN2CC(O)C2)CCC1 306408472 573266784 /nfs/dbraw/zinc/26/67/84/573266784.db2.gz MTBLYPVVJGAXJF-UHFFFAOYSA-N 0 1 155.241 0.853 10 0 ACAEMN COC[C@H]1CCC[N@H+]1C/C=C\C(=O)[O-] 77985462 573266812 /nfs/dbraw/zinc/26/68/12/573266812.db2.gz AWBPFPDNSGGTCE-AZVKUDOFSA-N 0 1 199.250 0.738 10 0 ACAEMN CNc1ncc2c(n1)CN[C@H]2C 238327836 573267140 /nfs/dbraw/zinc/26/71/40/573267140.db2.gz LRILSQVRCWWLOC-YFKPBYRVSA-N 0 1 164.212 0.683 10 0 ACAEMN C[C@H]1C(=O)Nc2cnccc2N1C 86159000 573269135 /nfs/dbraw/zinc/26/91/35/573269135.db2.gz WAZOVEJNCGBQDR-LURJTMIESA-N 0 1 177.207 0.858 10 0 ACAEMN NCc1coc([C@@H]2CCC[NH2+]2)n1 258266605 573267396 /nfs/dbraw/zinc/26/73/96/573267396.db2.gz XPADIPJPXLKXAO-ZETCQYMHSA-N 0 1 167.212 0.558 10 0 ACAEMN CNc1ncc2c(n1)CN[C@@H]2C 238327820 573267552 /nfs/dbraw/zinc/26/75/52/573267552.db2.gz LRILSQVRCWWLOC-RXMQYKEDSA-N 0 1 164.212 0.683 10 0 ACAEMN COC[C@H]1CCC[N@H+]1C/C=C/C(=O)[O-] 77985463 573267624 /nfs/dbraw/zinc/26/76/24/573267624.db2.gz AWBPFPDNSGGTCE-HYYFJVDXSA-N 0 1 199.250 0.738 10 0 ACAEMN C[N@H+]1CCCOC[C@@H]1CC(=O)[O-] 257986777 573267828 /nfs/dbraw/zinc/26/78/28/573267828.db2.gz KHTDLPKYFIXSGE-ZETCQYMHSA-N 0 1 173.212 0.182 10 0 ACAEMN CCCC(=O)CN1CCC[C@H]1CO 50184431 573268086 /nfs/dbraw/zinc/26/80/86/573268086.db2.gz BKWISLGLSZQGAY-VIFPVBQESA-N 0 1 185.267 0.812 10 0 ACAEMN C[N@H+]1CCCOC[C@H]1CC(=O)[O-] 257986775 573268142 /nfs/dbraw/zinc/26/81/42/573268142.db2.gz KHTDLPKYFIXSGE-SSDOTTSWSA-N 0 1 173.212 0.182 10 0 ACAEMN CN(C)C[C@H]1[C@@H](O)CCC[N@H+]1C 238327394 573268157 /nfs/dbraw/zinc/26/81/57/573268157.db2.gz DUDLKYLLOOTZOY-IUCAKERBSA-N 0 1 172.272 0.003 10 0 ACAEMN O=c1[nH]c(CO)nn1C1CCCCC1 257986595 573268164 /nfs/dbraw/zinc/26/81/64/573268164.db2.gz FADJKBHVKYSDKG-UHFFFAOYSA-N 0 1 197.238 0.569 10 0 ACAEMN NNCNCCC1CCCC1 259061229 573268200 /nfs/dbraw/zinc/26/82/00/573268200.db2.gz KXVLQZGFYLSFEG-UHFFFAOYSA-N 0 1 157.261 0.577 10 0 ACAEMN CC(C)NCc1oncc1N 257985019 573268438 /nfs/dbraw/zinc/26/84/38/573268438.db2.gz XGUWWSPOPXLJTE-UHFFFAOYSA-N 0 1 155.201 0.755 10 0 ACAEMN CCCC(=O)CN1CCC[C@@H]1CO 50184430 573268571 /nfs/dbraw/zinc/26/85/71/573268571.db2.gz BKWISLGLSZQGAY-SECBINFHSA-N 0 1 185.267 0.812 10 0 ACAEMN C[NH+]1CC2(C[C@H](CC(=O)[O-])CCO2)C1 74236023 573268718 /nfs/dbraw/zinc/26/87/18/573268718.db2.gz LFEVDWFUMCGCPW-QMMMGPOBSA-N 0 1 199.250 0.572 10 0 ACAEMN CCc1noc(C[C@@H]2COCCN2)n1 82910341 573268794 /nfs/dbraw/zinc/26/87/94/573268794.db2.gz YKXMJODSMQGYMB-SSDOTTSWSA-N 0 1 197.238 0.163 10 0 ACAEMN CC[N@H+]1CC[C@H](c2ncc(CN)o2)C1 258274973 573268861 /nfs/dbraw/zinc/26/88/61/573268861.db2.gz YBHJEFNVYAMUER-QMMMGPOBSA-N 0 1 195.266 0.943 10 0 ACAEMN C[C@H](O)[C@H](C)NCc1cnc(N)o1 308339398 573269006 /nfs/dbraw/zinc/26/90/06/573269006.db2.gz QDMFSYGULMWAHP-WDSKDSINSA-N 0 1 185.227 0.116 10 0 ACAEMN C[C@H](CO)CN[C@@H](C)c1ccon1 308337298 573269089 /nfs/dbraw/zinc/26/90/89/573269089.db2.gz OUHCFJSKPJNSJE-YUMQZZPRSA-N 0 1 184.239 0.954 10 0 ACAEMN Nc1ccnc(CO[C@@H]2CCOC2)c1 86134975 573269382 /nfs/dbraw/zinc/26/93/82/573269382.db2.gz GTGFAYPPUXJWBN-SNVBAGLBSA-N 0 1 194.234 0.969 10 0 ACAEMN C[C@H]1COC[C@@H]1[N@@H+](C)CC(=O)[O-] 687953728 573269421 /nfs/dbraw/zinc/26/94/21/573269421.db2.gz PTCXDMAPSLJJJL-BQBZGAKWSA-N 0 1 173.212 0.038 10 0 ACAEMN C[C@H](NCc1cnc(N)o1)[C@@H](C)O 308339395 573269810 /nfs/dbraw/zinc/26/98/10/573269810.db2.gz QDMFSYGULMWAHP-NTSWFWBYSA-N 0 1 185.227 0.116 10 0 ACAEMN Nc1ccnc(CN2CCOC2=O)c1 86134762 573269814 /nfs/dbraw/zinc/26/98/14/573269814.db2.gz KJHJFINGPZHABK-UHFFFAOYSA-N 0 1 193.206 0.616 10 0 ACAEMN CCC(=O)CN1CCCC[C@@H]1CO 50180500 573269900 /nfs/dbraw/zinc/26/99/00/573269900.db2.gz MUFQLPAJNIOIOC-SECBINFHSA-N 0 1 185.267 0.812 10 0 ACAEMN Oc1ccccc1CCNC1COC1 308532308 573270040 /nfs/dbraw/zinc/27/00/40/573270040.db2.gz BFNMTJVABHNAOJ-UHFFFAOYSA-N 0 1 193.246 0.923 10 0 ACAEMN C[C@@H](N)c1cnc(CCO)o1 258274966 573270062 /nfs/dbraw/zinc/27/00/62/573270062.db2.gz YBFQCPGDGMMTQI-RXMQYKEDSA-N 0 1 156.185 0.229 10 0 ACAEMN C[NH2+][C@@H](C)N1CCCN(C)[C@H](C)C1=O 258274126 573272797 /nfs/dbraw/zinc/27/27/97/573272797.db2.gz UUVNFKJRNTTYSY-RKDXNWHRSA-N 0 1 199.298 0.104 10 0 ACAEMN CN1CC(C)(C)[C@H](O)C(C)(C)[C@@H]1O 238329885 573272619 /nfs/dbraw/zinc/27/26/19/573272619.db2.gz PCEDDKBNNFGXDQ-YUMQZZPRSA-N 0 1 187.283 0.664 10 0 ACAEMN CCC(=O)CN1CCC[C@@H](C(N)=O)C1 50179649 573272690 /nfs/dbraw/zinc/27/26/90/573272690.db2.gz OSBRMCAJDCPAEE-MRVPVSSYSA-N 0 1 198.266 0.163 10 0 ACAEMN CC[N@H+]1CC[C@@H](c2ncc(CN)o2)C1 258274972 573272704 /nfs/dbraw/zinc/27/27/04/573272704.db2.gz YBHJEFNVYAMUER-MRVPVSSYSA-N 0 1 195.266 0.943 10 0 ACAEMN Nc1ccnc(CO[C@H]2CCOC2)c1 86134976 573272728 /nfs/dbraw/zinc/27/27/28/573272728.db2.gz GTGFAYPPUXJWBN-JTQLQIEISA-N 0 1 194.234 0.969 10 0 ACAEMN Cn1nccc1/C=C/[C@H]1COCCN1 236099081 573275101 /nfs/dbraw/zinc/27/51/01/573275101.db2.gz NQLQKXSPMVVQFC-HPOULIHZSA-N 0 1 193.250 0.422 10 0 ACAEMN C[N@H+]1CC[C@@H](C2(C(=O)[O-])COC2)C1 259065902 573278871 /nfs/dbraw/zinc/27/88/71/573278871.db2.gz BUFILXVGZWDRMA-SSDOTTSWSA-N 0 1 185.223 0.039 10 0 ACAEMN C[NH2+]CCC1CC(=O)C=C([O-])C1 105587661 573274967 /nfs/dbraw/zinc/27/49/67/573274967.db2.gz BVHXWPNDVMEIMC-UHFFFAOYSA-N 0 1 169.224 0.534 10 0 ACAEMN Nc1csc([C@H]2CNCCC2=O)n1 74239527 573275143 /nfs/dbraw/zinc/27/51/43/573275143.db2.gz UVQNKTDTHSCVOA-YFKPBYRVSA-N 0 1 197.263 0.371 10 0 ACAEMN CN1N=C(c2ccnn2C)CC1=O 236095280 573279864 /nfs/dbraw/zinc/27/98/64/573279864.db2.gz BOJLHDIDSXXEKX-UHFFFAOYSA-N 0 1 178.195 0.526 10 0 ACAEMN CC1=CC[N@H+](C)C[C@@H]1C(=O)[O-] 238330697 573279866 /nfs/dbraw/zinc/27/98/66/573279866.db2.gz ORYHMPIVSUDWGO-ZETCQYMHSA-N 0 1 155.197 0.579 10 0 ACAEMN O=C([O-])[C@@H]1CCC[C@@H](c2cnco2)[NH2+]1 74242562 573277202 /nfs/dbraw/zinc/27/72/02/573277202.db2.gz XJQRDIQDBFTLKA-BQBZGAKWSA-N 0 1 196.206 0.942 10 0 ACAEMN CN(C)c1ccc2c(n1)CNC2 238330687 573277042 /nfs/dbraw/zinc/27/70/42/573277042.db2.gz IEAUWEGBDTZCGH-UHFFFAOYSA-N 0 1 163.224 0.751 10 0 ACAEMN CNCC(=O)c1cc(N)oc1N(C)C 74239987 573278178 /nfs/dbraw/zinc/27/81/78/573278178.db2.gz FANWOLMLRCFRHI-UHFFFAOYSA-N 0 1 197.238 0.330 10 0 ACAEMN O=C([O-])[C@@]1(O)CC[N@H+](C2CCCC2)C1 258202528 573278446 /nfs/dbraw/zinc/27/84/46/573278446.db2.gz WWUZTHORMBRUDK-SNVBAGLBSA-N 0 1 199.250 0.450 10 0 ACAEMN Cc1[nH]c(=O)n(C[C@@H]2CCCO2)c1N 74240178 573278476 /nfs/dbraw/zinc/27/84/76/573278476.db2.gz FBZGEYJIFZMKTG-ZETCQYMHSA-N 0 1 197.238 0.658 10 0 ACAEMN CN(C)Cc1cc(C(N)=S)ccn1 238330277 573278525 /nfs/dbraw/zinc/27/85/25/573278525.db2.gz GMQYYSIHIAYFCK-UHFFFAOYSA-N 0 1 195.291 0.777 10 0 ACAEMN COC(=O)[C@@H]1C[C@H]([C@H]2CCCO2)CN1 258276061 573278652 /nfs/dbraw/zinc/27/86/52/573278652.db2.gz SGJYXBWTUQFGOA-XHNCKOQMSA-N 0 1 199.250 0.317 10 0 ACAEMN Cc1cc(=O)n([C@H]2CCC[C@@H]2O)[nH]1 116397317 573278840 /nfs/dbraw/zinc/27/88/40/573278840.db2.gz KZPKHMJQKHXVEX-YUMQZZPRSA-N 0 1 182.223 0.983 10 0 ACAEMN CO[C@@H]1CNC[C@H](C(F)(F)F)N1 238330365 573278915 /nfs/dbraw/zinc/27/89/15/573278915.db2.gz IJSRZPVDULKKNM-RFZPGFLSSA-N 0 1 184.161 0.083 10 0 ACAEMN CNC(=O)[C@@H](N)Cc1sccc1C 259065090 573279009 /nfs/dbraw/zinc/27/90/09/573279009.db2.gz MYLRQJUZNJVLRR-ZETCQYMHSA-N 0 1 198.291 0.672 10 0 ACAEMN Cn1nccc1/C=C/[C@@H]1COCCN1 236098999 573279582 /nfs/dbraw/zinc/27/95/82/573279582.db2.gz NQLQKXSPMVVQFC-GKQMSVHHSA-N 0 1 193.250 0.422 10 0 ACAEMN CO[C@@H]1CNC[C@@H](C(F)(F)F)N1 238330267 573279594 /nfs/dbraw/zinc/27/95/94/573279594.db2.gz IJSRZPVDULKKNM-CRCLSJGQSA-N 0 1 184.161 0.083 10 0 ACAEMN Nc1csc([C@@H]2CNCCC2=O)n1 74239525 573279792 /nfs/dbraw/zinc/27/97/92/573279792.db2.gz UVQNKTDTHSCVOA-RXMQYKEDSA-N 0 1 197.263 0.371 10 0 ACAEMN Cn1ncc(N)c1CN1CCCCC1 257991971 573280016 /nfs/dbraw/zinc/28/00/16/573280016.db2.gz XZODTTWZPMWJCO-UHFFFAOYSA-N 0 1 194.282 0.988 10 0 ACAEMN CCC1=NN(C)C(=O)C1C 116396580 573280149 /nfs/dbraw/zinc/28/01/49/573280149.db2.gz KKMAVAKLDIALEJ-UHFFFAOYSA-N 0 1 140.186 0.997 10 0 ACAEMN CCc1[nH]n(C)c(=O)c1C 116396580 573280153 /nfs/dbraw/zinc/28/01/53/573280153.db2.gz KKMAVAKLDIALEJ-UHFFFAOYSA-N 0 1 140.186 0.997 10 0 ACAEMN C[C@@H](N)c1nnnn1[C@@H]1CC12CC2 715272269 573280557 /nfs/dbraw/zinc/28/05/57/573280557.db2.gz QESGTTFIIGPAIX-PHDIDXHHSA-N 0 1 179.227 0.418 10 0 ACAEMN C[N@H+]1CCc2c(CC(=O)[O-])n[nH]c2C1 74244702 573280275 /nfs/dbraw/zinc/28/02/75/573280275.db2.gz IDSHRLKNQUFVIB-UHFFFAOYSA-N 0 1 195.222 0.025 10 0 ACAEMN C[N@@H+]1CCc2c(n[nH]c2CC(=O)[O-])C1 74244702 573280285 /nfs/dbraw/zinc/28/02/85/573280285.db2.gz IDSHRLKNQUFVIB-UHFFFAOYSA-N 0 1 195.222 0.025 10 0 ACAEMN C[N@H+]1CCc2c(n[nH]c2CC(=O)[O-])C1 74244702 573280295 /nfs/dbraw/zinc/28/02/95/573280295.db2.gz IDSHRLKNQUFVIB-UHFFFAOYSA-N 0 1 195.222 0.025 10 0 ACAEMN Cc1nc([C@@H]2NCCC[C@@H]2O)[nH]c1C 74243859 573280356 /nfs/dbraw/zinc/28/03/56/573280356.db2.gz WJCSHQVXXBVMFA-DTWKUNHWSA-N 0 1 195.266 0.812 10 0 ACAEMN C[C@@H](N)c1nnnn1[C@H]1CC12CC2 715272270 573280379 /nfs/dbraw/zinc/28/03/79/573280379.db2.gz QESGTTFIIGPAIX-RITPCOANSA-N 0 1 179.227 0.418 10 0 ACAEMN C[N@H+]1CCc2n[nH]c(CC(=O)[O-])c2C1 74244705 573281442 /nfs/dbraw/zinc/28/14/42/573281442.db2.gz KJRMXDDOXNYKFM-UHFFFAOYSA-N 0 1 195.222 0.025 10 0 ACAEMN CNC(=O)[C@H](N)Cc1sccc1C 259065086 573282123 /nfs/dbraw/zinc/28/21/23/573282123.db2.gz MYLRQJUZNJVLRR-SSDOTTSWSA-N 0 1 198.291 0.672 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HBEZJSPBBHKKSZ-UHFFFAOYSA-N 0 1 180.255 0.782 10 0 ACAEMN CN1CCC[C@@H](n2cc(C=O)cn2)C1 257817660 573451188 /nfs/dbraw/zinc/45/11/88/573451188.db2.gz DVCHCLQQAPJXKX-SNVBAGLBSA-N 0 1 193.250 0.962 10 0 ACAEMN C[C@@H]([NH3+])c1ncc(C(=O)[O-])o1 107252205 573448426 /nfs/dbraw/zinc/44/84/26/573448426.db2.gz YJEXAUINRAHSMC-GSVOUGTGSA-N 0 1 156.141 0.393 10 0 ACAEMN COc1cc(O)cnc1C(C)=O 238398501 573448528 /nfs/dbraw/zinc/44/85/28/573448528.db2.gz IQCPJYZOYZLMQA-UHFFFAOYSA-N 0 1 167.164 0.998 10 0 ACAEMN C[C@@H](N)c1nc2ncccc2c(=O)o1 238399222 573448705 /nfs/dbraw/zinc/44/87/05/573448705.db2.gz HHQQNUKVOSLEAR-RXMQYKEDSA-N 0 1 191.190 0.603 10 0 ACAEMN CS1(C)=NC(=N)NC(=O)N=1 238399055 573448806 /nfs/dbraw/zinc/44/88/06/573448806.db2.gz GIMYLFPRUMOISN-UHFFFAOYSA-N 0 1 160.202 0.425 10 0 ACAEMN CCO[C@H]1C[C@@H]1NCc1cnn(C)c1 308588994 573448837 /nfs/dbraw/zinc/44/88/37/573448837.db2.gz JOBPIYAOUMOUGT-UWVGGRQHSA-N 0 1 195.266 0.687 10 0 ACAEMN O=C([O-])c1c[nH+]c2n1CC[C@@H](F)C2 257816267 573448904 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257817400 573450742 /nfs/dbraw/zinc/45/07/42/573450742.db2.gz DQYZRKXOMJQATM-JGVFFNPUSA-N 0 1 171.240 0.794 10 0 ACAEMN COC(=O)[C@@H](F)[C@@H]1CCCCN1 107258237 573450749 /nfs/dbraw/zinc/45/07/49/573450749.db2.gz HZPNEUXBXIGQRE-BQBZGAKWSA-N 0 1 175.203 0.640 10 0 ACAEMN COC(=O)[C@H]1C[C@@H](C(C)C)CN1 257817398 573451034 /nfs/dbraw/zinc/45/10/34/573451034.db2.gz DQYZRKXOMJQATM-HTQZYQBOSA-N 0 1 171.240 0.794 10 0 ACAEMN Cc1coc(C2(O)CNC2)c1 715808847 573451117 /nfs/dbraw/zinc/45/11/17/573451117.db2.gz YINGLYQIVVCJGM-UHFFFAOYSA-N 0 1 153.181 0.379 10 0 ACAEMN COc1cc2[nH]nnc2cc1N 238400784 573451285 /nfs/dbraw/zinc/45/12/85/573451285.db2.gz OZCBYQAXCYKQDI-UHFFFAOYSA-N 0 1 164.168 0.549 10 0 ACAEMN COc1cc2n[nH]nc2cc1N 238400784 573451293 /nfs/dbraw/zinc/45/12/93/573451293.db2.gz OZCBYQAXCYKQDI-UHFFFAOYSA-N 0 1 164.168 0.549 10 0 ACAEMN C[N@@H+]1CC[C@@H](F)[C@@H]1C(=O)[O-] 107260189 573451461 /nfs/dbraw/zinc/45/14/61/573451461.db2.gz AUCWNMSVUJDVPE-RFZPGFLSSA-N 0 1 147.149 0.113 10 0 ACAEMN 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169033132 /nfs/dbraw/zinc/03/31/32/169033132.db2.gz GGCYSNLFFJIPQK-UHFFFAOYSA-N 0 1 176.223 0.614 10 0 ACAEMN Cn1c(CN)nc2cc(O)ccc21 75844867 169033177 /nfs/dbraw/zinc/03/31/77/169033177.db2.gz IEYUBOHJVNINFV-UHFFFAOYSA-N 0 1 177.207 0.738 10 0 ACAEMN Cn1c(CN)nc2ccc(O)cc21 75844868 169033251 /nfs/dbraw/zinc/03/32/51/169033251.db2.gz ZRGOCOFXYBAMCS-UHFFFAOYSA-N 0 1 177.207 0.738 10 0 ACAEMN Cn1c(CN)nc2c1CCC2 82510188 169033399 /nfs/dbraw/zinc/03/33/99/169033399.db2.gz FUMPUGBVSOZBFF-UHFFFAOYSA-N 0 1 151.213 0.368 10 0 ACAEMN Cn1c(CN)nnc1C(C)(C)C 58518285 169033555 /nfs/dbraw/zinc/03/35/55/169033555.db2.gz IKJNVCVXIMQBKB-UHFFFAOYSA-N 0 1 168.244 0.571 10 0 ACAEMN Cn1c(CN)nnc1-c1cccnc1 20439192 169033565 /nfs/dbraw/zinc/03/35/65/169033565.db2.gz GKZGUYQDMRUVHO-UHFFFAOYSA-N 0 1 189.222 0.336 10 0 ACAEMN Cn1c(CN)nc2cc[nH]c(=O)c21 82397888 169033784 /nfs/dbraw/zinc/03/37/84/169033784.db2.gz QTMDTGIKNAEMHM-UHFFFAOYSA-N 0 1 178.195 0.133 10 0 ACAEMN Cn1c(CN)nnc1-c1ccncc1 58520860 169033865 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/nfs/dbraw/zinc/29/67/23/169296723.db2.gz MJDBZXCPUTXPLJ-UHFFFAOYSA-N 0 1 190.206 0.966 10 0 ACAEMN Nc1cccc(Cc2nc[nH]n2)c1 82529321 169296866 /nfs/dbraw/zinc/29/68/66/169296866.db2.gz WQIPHELVHSPJEH-UHFFFAOYSA-N 0 1 174.207 0.978 10 0 ACAEMN Nc1cccc([C@@H]2COCCN2)c1 76136617 169297290 /nfs/dbraw/zinc/29/72/90/169297290.db2.gz VNAKCPVRKHJKHA-JTQLQIEISA-N 0 1 178.235 0.930 10 0 ACAEMN Nc1cccc2c(C=O)n[nH]c12 82405164 169297309 /nfs/dbraw/zinc/29/73/09/169297309.db2.gz KJQJEJGJSBJYSX-UHFFFAOYSA-N 0 1 161.164 0.958 10 0 ACAEMN Nc1cccc([C@H]2COCCN2)c1 76136618 169297510 /nfs/dbraw/zinc/29/75/10/169297510.db2.gz VNAKCPVRKHJKHA-SNVBAGLBSA-N 0 1 178.235 0.930 10 0 ACAEMN Nc1cccc2c1C[N@@H+](CC(=O)[O-])C2 58010700 169297519 /nfs/dbraw/zinc/29/75/19/169297519.db2.gz RCLPRJUCRMNFBM-UHFFFAOYSA-N 0 1 192.218 0.669 10 0 ACAEMN Nc1cccc2c1CN(CCCO)C2 11730932 169297606 /nfs/dbraw/zinc/29/76/06/169297606.db2.gz ZRTWEQUFYRPTKK-UHFFFAOYSA-N 0 1 192.262 0.967 10 0 ACAEMN Nc1ccccc1OCc1nnc[nH]1 82530338 169298680 /nfs/dbraw/zinc/29/86/80/169298680.db2.gz FTHFUMGEOJPPBD-UHFFFAOYSA-N 0 1 190.206 0.966 10 0 ACAEMN Nc1ccccc1Cc1nc[nH]n1 53200718 169298828 /nfs/dbraw/zinc/29/88/28/169298828.db2.gz RUBZYJHLLOPNNG-UHFFFAOYSA-N 0 1 174.207 0.978 10 0 ACAEMN Nc1ccnc(-c2cncc(=O)[nH]2)c1 72204392 169299475 /nfs/dbraw/zinc/29/94/75/169299475.db2.gz ONWMVLHNWOQJAZ-UHFFFAOYSA-N 0 1 188.190 0.826 10 0 ACAEMN Nc1ccc[nH+]c1NCC(=O)[O-] 51040325 169299594 /nfs/dbraw/zinc/29/95/94/169299594.db2.gz RRGGTNDWEZQUBP-UHFFFAOYSA-N 0 1 167.168 0.160 10 0 ACAEMN Nc1cn2ccnc2cc1C=O 82405126 169300218 /nfs/dbraw/zinc/30/02/18/169300218.db2.gz QGSWZSNPEUWKNJ-UHFFFAOYSA-N 0 1 161.164 0.729 10 0 ACAEMN Nc1ccnc2ccc(=O)[nH]c12 45815096 169300835 /nfs/dbraw/zinc/30/08/35/169300835.db2.gz RWDLOGDNLBMKML-UHFFFAOYSA-N 0 1 161.164 0.505 10 0 ACAEMN Nc1ccnc2c1CC(=O)N2 95763484 169301184 /nfs/dbraw/zinc/30/11/84/169301184.db2.gz VROFAIYTZZPFDA-UHFFFAOYSA-N 0 1 149.153 0.158 10 0 ACAEMN Nc1cnc2cc(C=O)ccn12 82405123 169301385 /nfs/dbraw/zinc/30/13/85/169301385.db2.gz RFHGXURXAUMGGT-UHFFFAOYSA-N 0 1 161.164 0.729 10 0 ACAEMN Nc1c[nH+]c(NC2CC2)c(C(=O)[O-])c1 82530673 169301925 /nfs/dbraw/zinc/30/19/25/169301925.db2.gz UERJRYGBBYDJIK-UHFFFAOYSA-N 0 1 193.206 0.936 10 0 ACAEMN Nc1cnc2ccc(C=O)cn12 82405124 169302072 /nfs/dbraw/zinc/30/20/72/169302072.db2.gz TTZKNYQFABGZLY-UHFFFAOYSA-N 0 1 161.164 0.729 10 0 ACAEMN Nc1cnc2cccc(C=O)n12 82405127 169302081 /nfs/dbraw/zinc/30/20/81/169302081.db2.gz GHSHJBDFTRJFCN-UHFFFAOYSA-N 0 1 161.164 0.729 10 0 ACAEMN Nc1cnn(CN2CCCCC2)c1 62701586 169302726 /nfs/dbraw/zinc/30/27/26/169302726.db2.gz BJJDIKJPASBOHQ-UHFFFAOYSA-N 0 1 180.255 0.909 10 0 ACAEMN Nc1c[nH+]cc(C(=O)[O-])c1OC1CC1 95735240 169303004 /nfs/dbraw/zinc/30/30/04/169303004.db2.gz JGGCUGUHVJWOFO-UHFFFAOYSA-N 0 1 194.190 0.903 10 0 ACAEMN Nc1cnccc1-c1nnc[nH]1 105583971 169303117 /nfs/dbraw/zinc/30/31/17/169303117.db2.gz VCBPKTMLHVLAPC-UHFFFAOYSA-N 0 1 161.168 0.449 10 0 ACAEMN Nc1n[nH]c(NCc2cccnc2)n1 95629538 169303247 /nfs/dbraw/zinc/30/32/47/169303247.db2.gz SCJUBYFSOJHAHI-UHFFFAOYSA-N 0 1 190.210 0.394 10 0 ACAEMN Nc1n[nH]c(NCc2ccccn2)n1 95629540 169303288 /nfs/dbraw/zinc/30/32/88/169303288.db2.gz BZSQQLRJLYADLW-UHFFFAOYSA-N 0 1 190.210 0.394 10 0 ACAEMN Nc1n[nH]c2nc(Cl)ncc12 258099819 169303394 /nfs/dbraw/zinc/30/33/94/169303394.db2.gz XQWKUQLJRAFCSQ-UHFFFAOYSA-N 0 1 169.575 0.589 10 0 ACAEMN Nc1nc(Nc2cccnc2)n[nH]1 34155695 169303603 /nfs/dbraw/zinc/30/36/03/169303603.db2.gz IFUMPCXLMHBJQK-UHFFFAOYSA-N 0 1 176.183 0.526 10 0 ACAEMN Nc1cnnc(N)c1Cl 13284947 169303690 /nfs/dbraw/zinc/30/36/90/169303690.db2.gz AOQQTZLOTOFONG-UHFFFAOYSA-N 0 1 144.565 0.294 10 0 ACAEMN Nc1[nH]c(-c2ccco2)c(C(=O)[O-])[nH+]1 82530660 169304519 /nfs/dbraw/zinc/30/45/19/169304519.db2.gz PVDGRQBBAQANCB-UHFFFAOYSA-N 0 1 193.162 0.950 10 0 ACAEMN Nc1nn[nH]c1C(=O)c1ccccc1 75578389 169304789 /nfs/dbraw/zinc/30/47/89/169304789.db2.gz NVPWDMSVICYBCB-UHFFFAOYSA-N 0 1 188.190 0.618 10 0 ACAEMN Nc1n[nH]c(Nc2ccncc2)n1 72417592 169305435 /nfs/dbraw/zinc/30/54/35/169305435.db2.gz YZSIGNPHROPJQY-UHFFFAOYSA-N 0 1 176.183 0.526 10 0 ACAEMN Nc1nc(Nc2ccncc2)n[nH]1 72417592 169305437 /nfs/dbraw/zinc/30/54/37/169305437.db2.gz YZSIGNPHROPJQY-UHFFFAOYSA-N 0 1 176.183 0.526 10 0 ACAEMN Nc1nc(CNC2CC2)cs1 41052021 169305667 /nfs/dbraw/zinc/30/56/67/169305667.db2.gz URGPHBQLMJSFSB-UHFFFAOYSA-N 0 1 169.253 0.977 10 0 ACAEMN Nc1n[nH]c(CNC2CCCC2)n1 41050642 169305761 /nfs/dbraw/zinc/30/57/61/169305761.db2.gz JQUGETUSIHRESM-UHFFFAOYSA-N 0 1 181.243 0.419 10 0 ACAEMN Nc1nc([C@H]2CCCN2)ns1 82400922 169306407 /nfs/dbraw/zinc/30/64/07/169306407.db2.gz QVQPVLNPIBMEKD-SCSAIBSYSA-N 0 1 170.241 0.545 10 0 ACAEMN Nc1nc2c(s1)C(=O)[C@@H](N)CC2 77286915 169306413 /nfs/dbraw/zinc/30/64/13/169306413.db2.gz ZUHBDZLSSHKACV-VKHMYHEASA-N 0 1 183.236 0.182 10 0 in-vitro ACAEMN Nc1nc2cc(O)ccc2n1N 75947218 169306485 /nfs/dbraw/zinc/30/64/85/169306485.db2.gz AGAUNDLLUWRHBD-UHFFFAOYSA-N 0 1 164.168 0.038 10 0 ACAEMN Nc1n[nH]c([C@@H]2CCCCN2)n1 41050729 169306493 /nfs/dbraw/zinc/30/64/93/169306493.db2.gz HRWMUGPOVXTVFU-YFKPBYRVSA-N 0 1 167.216 0.202 10 0 ACAEMN Nc1nc2cc(C=O)cc(O)c2o1 228902790 169306719 /nfs/dbraw/zinc/30/67/19/169306719.db2.gz NWMJXBBIEBDREG-UHFFFAOYSA-N 0 1 178.147 0.928 10 0 ACAEMN Nc1nc2c(s1)C(=O)[C@H](N)CC2 77286917 169306750 /nfs/dbraw/zinc/30/67/50/169306750.db2.gz ZUHBDZLSSHKACV-GSVOUGTGSA-N 0 1 183.236 0.182 10 0 in-vitro ACAEMN Nc1nc([C@@H]2CCCN2)ns1 82400923 169306880 /nfs/dbraw/zinc/30/68/80/169306880.db2.gz QVQPVLNPIBMEKD-BYPYZUCNSA-N 0 1 170.241 0.545 10 0 ACAEMN Nc1[nH+]c2cc(C(=O)[O-])ccc2n1N 75947221 169307033 /nfs/dbraw/zinc/30/70/33/169307033.db2.gz LOQNJUOWFVKVHC-UHFFFAOYSA-N 0 1 192.178 0.031 10 0 ACAEMN Nc1[nH]c2c([nH+]1)C[C@H](C(=O)[O-])CC2 76126955 169307150 /nfs/dbraw/zinc/30/71/50/169307150.db2.gz KFPFLVLKMDUFFZ-SCSAIBSYSA-N 0 1 181.195 0.181 10 0 ACAEMN Nc1n[nH]c([C@H]2CCCCN2)n1 41050730 169307211 /nfs/dbraw/zinc/30/72/11/169307211.db2.gz HRWMUGPOVXTVFU-RXMQYKEDSA-N 0 1 167.216 0.202 10 0 ACAEMN Nc1[nH]c2c(C(=O)[O-])c(F)ccc2[nH+]1 45800795 169307237 /nfs/dbraw/zinc/30/72/37/169307237.db2.gz BHTSEWJZUHNILD-UHFFFAOYSA-N 0 1 195.153 0.982 10 0 ACAEMN Nc1[nH]c2c([nH+]1)C[C@@H](C(=O)[O-])CC2 76126953 169307244 /nfs/dbraw/zinc/30/72/44/169307244.db2.gz KFPFLVLKMDUFFZ-BYPYZUCNSA-N 0 1 181.195 0.181 10 0 ACAEMN Nc1nc2cn[nH]c2s1 95931526 169308109 /nfs/dbraw/zinc/30/81/09/169308109.db2.gz HBOSPOMYQJPFIW-UHFFFAOYSA-N 0 1 140.171 0.602 10 0 ACAEMN Nc1[nH+]c2ccccc2n1[O-] 45238505 169308272 /nfs/dbraw/zinc/30/82/72/169308272.db2.gz DDHDMBNNEIQXQM-UHFFFAOYSA-N 0 1 149.153 0.856 10 0 ACAEMN Nc1ncc2n[nH]c(Cl)c2n1 299889736 169308590 /nfs/dbraw/zinc/30/85/90/169308590.db2.gz NZAZMLSURPPLKV-UHFFFAOYSA-N 0 1 169.575 0.589 10 0 ACAEMN Nc1nccc(NC2CC2)n1 32914848 169308622 /nfs/dbraw/zinc/30/86/22/169308622.db2.gz JGVKLXCMCLUJPB-UHFFFAOYSA-N 0 1 150.185 0.633 10 0 ACAEMN Nc1[nH]ccc2ncc(C=O)c1-2 82405134 169309253 /nfs/dbraw/zinc/30/92/53/169309253.db2.gz KUTBWGFOUMARHH-UHFFFAOYSA-N 0 1 161.164 0.958 10 0 ACAEMN Nc1ncc2c(Cl)[nH]nc2n1 299889641 169309349 /nfs/dbraw/zinc/30/93/49/169309349.db2.gz MGJUDUPLTBPEPB-UHFFFAOYSA-N 0 1 169.575 0.589 10 0 ACAEMN Nc1ncnc2[nH]ccc12 100059055 169310218 /nfs/dbraw/zinc/31/02/18/169310218.db2.gz QQGUTELEJGAURW-UHFFFAOYSA-N 0 1 134.142 0.317 10 0 ACAEMN Nc1ncnc2c1Cc1nc[nH]c1C2 75577624 169310271 /nfs/dbraw/zinc/31/02/71/169310271.db2.gz PRVUWLWJCBEYQM-UHFFFAOYSA-N 0 1 187.206 0.277 10 0 ACAEMN NC1=NN(c2ccccc2)C(=O)C1O 75580052 169310650 /nfs/dbraw/zinc/31/06/50/169310650.db2.gz JSOQTTJBNCVIOX-UHFFFAOYSA-N 0 1 191.190 0.866 10 0 ACAEMN Nc1n[nH]c(NCc2ccco2)n1 76456 169310681 /nfs/dbraw/zinc/31/06/81/169310681.db2.gz DEJOEPVELWHIDY-UHFFFAOYSA-N 0 1 179.183 0.592 10 0 ACAEMN Nc1nnc(-c2cnccc2N)s1 66099719 169311014 /nfs/dbraw/zinc/31/10/14/169311014.db2.gz MNHIQWZHQXNGMA-UHFFFAOYSA-N 0 1 193.235 0.765 10 0 in-vitro ACAEMN Nc1nn(-c2ccccc2)c(=O)[nH]1 39222775 169311281 /nfs/dbraw/zinc/31/12/81/169311281.db2.gz UEWQTRNYJJIPSF-UHFFFAOYSA-N 0 1 176.179 0.143 10 0 ACAEMN Nc1n[nH]c(NCc2ccncc2)n1 34497198 169311332 /nfs/dbraw/zinc/31/13/32/169311332.db2.gz WEMCNGOPITVJHW-UHFFFAOYSA-N 0 1 190.210 0.394 10 0 ACAEMN O=C(C1CC1)N1C[C@@H]2CCC[C@H](C1)N2 306883865 169315939 /nfs/dbraw/zinc/31/59/39/169315939.db2.gz POIDROAMFZEQJM-AOOOYVTPSA-N 0 1 194.278 0.749 10 0 ACAEMN O=C(CN1CCC12CCC2)N1CCC1 336538625 169320527 /nfs/dbraw/zinc/32/05/27/169320527.db2.gz KSNBTIZFCXMXRP-UHFFFAOYSA-N 0 1 194.278 0.847 10 0 ACAEMN O=C(CN1CCC12CCC2)NC1CC1 336224399 169320813 /nfs/dbraw/zinc/32/08/13/169320813.db2.gz ZJXNTZZGUJKUAJ-UHFFFAOYSA-N 0 1 194.278 0.893 10 0 ACAEMN O=C(Cc1ccco1)N1CCNCC1 82637214 169323219 /nfs/dbraw/zinc/32/32/19/169323219.db2.gz KGZRMDWTAOBNQF-UHFFFAOYSA-N 0 1 194.234 0.254 10 0 ACAEMN O=C(N1CCNCC1)C(F)(F)Cl 39055256 169325866 /nfs/dbraw/zinc/32/58/66/169325866.db2.gz OZXTVALCWMLIDN-UHFFFAOYSA-N 0 1 198.600 0.250 10 0 ACAEMN O=C(N1CCNCC1)n1cccc1 20300121 169326415 /nfs/dbraw/zinc/32/64/15/169326415.db2.gz JROUWADTRAOMOQ-UHFFFAOYSA-N 0 1 179.223 0.361 10 0 ACAEMN O=C(NCCc1cnc[nH]1)C1CC1 6694496 169329104 /nfs/dbraw/zinc/32/91/04/169329104.db2.gz YFHLVKMUQPSOEE-UHFFFAOYSA-N 0 1 179.223 0.478 10 0 ACAEMN O=C(N[C@@H]1C[C@H]1C1CC1)c1ncn[nH]1 336577884 169330818 /nfs/dbraw/zinc/33/08/18/169330818.db2.gz QFJJFVFMMQHCPU-NKWVEPMBSA-N 0 1 192.222 0.333 10 0 ACAEMN O=C(N[C@@H]1C[C@H]1C1CC1)c1nc[nH]n1 336577884 169330819 /nfs/dbraw/zinc/33/08/19/169330819.db2.gz QFJJFVFMMQHCPU-NKWVEPMBSA-N 0 1 192.222 0.333 10 0 ACAEMN O=C(N[C@@H]1CC12CC2)c1cnn[nH]1 335112580 169330867 /nfs/dbraw/zinc/33/08/67/169330867.db2.gz ILTLRFXRGKFDEK-ZCFIWIBFSA-N 0 1 178.195 0.087 10 0 ACAEMN O=C(N[C@@H]1CC12CC2)c1ncn[nH]1 335109617 169331647 /nfs/dbraw/zinc/33/16/47/169331647.db2.gz AGNPHFPSKUDNQY-RXMQYKEDSA-N 0 1 178.195 0.087 10 0 ACAEMN O=C(N[C@@H]1CC12CC2)c1nc[nH]n1 335109617 169331648 /nfs/dbraw/zinc/33/16/48/169331648.db2.gz AGNPHFPSKUDNQY-RXMQYKEDSA-N 0 1 178.195 0.087 10 0 ACAEMN O=C(Nc1cc[nH]n1)[C@H]1C[C@H](F)CN1 307169274 169332018 /nfs/dbraw/zinc/33/20/18/169332018.db2.gz XQBYJSIZAPRAOA-NTSWFWBYSA-N 0 1 198.201 0.048 10 0 ACAEMN O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)c1ncn[nH]1 306586984 169332184 /nfs/dbraw/zinc/33/21/84/169332184.db2.gz RUSHATALJWRVRP-KVSKUHBBSA-N 0 1 192.222 0.333 10 0 ACAEMN O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)c1nc[nH]n1 306586984 169332185 /nfs/dbraw/zinc/33/21/85/169332185.db2.gz RUSHATALJWRVRP-KVSKUHBBSA-N 0 1 192.222 0.333 10 0 ACAEMN O=C(N[C@H]1CC12CC2)c1ncn[nH]1 335109635 169332519 /nfs/dbraw/zinc/33/25/19/169332519.db2.gz AGNPHFPSKUDNQY-YFKPBYRVSA-N 0 1 178.195 0.087 10 0 ACAEMN O=C(N[C@H]1CC12CC2)c1nc[nH]n1 335109635 169332521 /nfs/dbraw/zinc/33/25/21/169332521.db2.gz AGNPHFPSKUDNQY-YFKPBYRVSA-N 0 1 178.195 0.087 10 0 ACAEMN O=C(Nc1cc[nH]c1)N1CCNCC1 71506747 169332583 /nfs/dbraw/zinc/33/25/83/169332583.db2.gz GNOFLLYRPWWASX-UHFFFAOYSA-N 0 1 194.238 0.452 10 0 ACAEMN O=C(N[C@H]1CC12CC2)c1cnn[nH]1 335112576 169332655 /nfs/dbraw/zinc/33/26/55/169332655.db2.gz ILTLRFXRGKFDEK-LURJTMIESA-N 0 1 178.195 0.087 10 0 ACAEMN O=C(Nc1ccc[nH]1)N1CCNCC1 77295390 169332836 /nfs/dbraw/zinc/33/28/36/169332836.db2.gz RTNXJKWROJBAMR-UHFFFAOYSA-N 0 1 194.238 0.452 10 0 ACAEMN O=C(Nc1cn[nH]c1)[C@H]1C[C@H](F)CN1 307428318 169333723 /nfs/dbraw/zinc/33/37/23/169333723.db2.gz UADWAAAUXPFERZ-CAHLUQPWSA-N 0 1 198.201 0.048 10 0 ACAEMN O=C([O-])/C=C/CCc1[nH]cc[nH+]1 71296204 169334410 /nfs/dbraw/zinc/33/44/10/169334410.db2.gz YETRWKBWVAIDJB-DUXPYHPUSA-N 0 1 166.180 0.983 10 0 ACAEMN O=C([O-])C=CCc1cnc[nH]1 83324781 169334639 /nfs/dbraw/zinc/33/46/39/169334639.db2.gz MXSQSIOULZCQTD-HNQUOIGGSA-N 0 1 152.153 0.593 10 0 ACAEMN O=C([O-])/C=C1/CC[N@H+](C2CC2)C1 61985022 169335102 /nfs/dbraw/zinc/33/51/02/169335102.db2.gz XICVBNDNZKPFIS-ALCCZGGFSA-N 0 1 167.208 0.866 10 0 ACAEMN O=C([O-])C1=C2NCCC[N@@H+]2CCC1 105706337 169335751 /nfs/dbraw/zinc/33/57/51/169335751.db2.gz ZHLNZYYOQGBAKW-UHFFFAOYSA-N 0 1 182.223 0.372 10 0 ACAEMN 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306737925 345584627 /nfs/dbraw/zinc/58/46/27/345584627.db2.gz ZUBJPLBURPWUBC-CBAPKCEASA-N 0 1 184.239 0.517 10 0 ACAEMN CC[C@@]1([C@@H]2CCOC2)CN=C(N)O1 306737924 345584699 /nfs/dbraw/zinc/58/46/99/345584699.db2.gz ZUBJPLBURPWUBC-APPZFPTMSA-N 0 1 184.239 0.517 10 0 ACAEMN CC[C@]1([C@@H]2CCOC2)CN=C(N)O1 306737927 345584744 /nfs/dbraw/zinc/58/47/44/345584744.db2.gz ZUBJPLBURPWUBC-VXNVDRBHSA-N 0 1 184.239 0.517 10 0 ACAEMN Cc1nc([C@H](C)NC#N)n[nH]1 306738601 345585229 /nfs/dbraw/zinc/58/52/29/345585229.db2.gz ALIAMHDISBHGFA-BYPYZUCNSA-N 0 1 151.173 0.245 10 0 ACAEMN Cc1nc([C@@H](C)NC#N)n[nH]1 306738602 345585426 /nfs/dbraw/zinc/58/54/26/345585426.db2.gz ALIAMHDISBHGFA-SCSAIBSYSA-N 0 1 151.173 0.245 10 0 ACAEMN CC1(C)CC[C@H]1n1nnnc1CN 306739742 345585569 /nfs/dbraw/zinc/58/55/69/345585569.db2.gz BDJVCAFRLLNVCA-ZCFIWIBFSA-N 0 1 181.243 0.493 10 0 ACAEMN CC1(C)CC[C@@H]1n1nnnc1CN 306739741 345585745 /nfs/dbraw/zinc/58/57/45/345585745.db2.gz BDJVCAFRLLNVCA-LURJTMIESA-N 0 1 181.243 0.493 10 0 ACAEMN N[C@@H](c1cscn1)c1nnc[nH]1 306743004 345586632 /nfs/dbraw/zinc/58/66/32/345586632.db2.gz GPYNYMPGKIOSIK-YFKPBYRVSA-N 0 1 181.224 0.309 10 0 ACAEMN C[C@H](CO)[N@H+]1CCCOCC1 306742473 345586713 /nfs/dbraw/zinc/58/67/13/345586713.db2.gz FZNIGZMRBMLDHE-MRVPVSSYSA-N 0 1 159.229 0.090 10 0 ACAEMN N[C@H](c1cscn1)c1nnc[nH]1 306743003 345587012 /nfs/dbraw/zinc/58/70/12/345587012.db2.gz GPYNYMPGKIOSIK-RXMQYKEDSA-N 0 1 181.224 0.309 10 0 ACAEMN C[C@@H](CO)[N@H+]1CCCOCC1 306742474 345587023 /nfs/dbraw/zinc/58/70/23/345587023.db2.gz FZNIGZMRBMLDHE-QMMMGPOBSA-N 0 1 159.229 0.090 10 0 ACAEMN c1noc([C@H]2CCN2)n1 306743450 345587315 /nfs/dbraw/zinc/58/73/15/345587315.db2.gz XGWKQRSSMMCNAR-SCSAIBSYSA-N 0 1 125.131 0.104 10 0 ACAEMN NC(=S)N[C@@H]1CC[N@H+]2CCC[C@H]1C2 306743810 345587336 /nfs/dbraw/zinc/58/73/36/345587336.db2.gz HPODDHCCLFKHFU-JGVFFNPUSA-N 0 1 199.323 0.304 10 0 ACAEMN Cc1cc(CN2C[C@@H](N)C2=O)cs1 306743729 345587509 /nfs/dbraw/zinc/58/75/09/345587509.db2.gz HIEIRYMEHIGADZ-MRVPVSSYSA-N 0 1 196.275 0.726 10 0 ACAEMN c1noc([C@@H]2CCN2)n1 306743449 345587544 /nfs/dbraw/zinc/58/75/44/345587544.db2.gz XGWKQRSSMMCNAR-BYPYZUCNSA-N 0 1 125.131 0.104 10 0 ACAEMN Cc1cc(CN2C[C@H](N)C2=O)cs1 306743730 345587708 /nfs/dbraw/zinc/58/77/08/345587708.db2.gz HIEIRYMEHIGADZ-QMMMGPOBSA-N 0 1 196.275 0.726 10 0 ACAEMN C[C@H]1OCCN(CC(N)=S)[C@@H]1C 306745057 345587975 /nfs/dbraw/zinc/58/79/75/345587975.db2.gz ZLCWGIXLPLZRHV-RNFRBKRXSA-N 0 1 188.296 0.382 10 0 ACAEMN C[C@H]1[C@@H](C)OCCN1CC(N)=S 306745056 345588060 /nfs/dbraw/zinc/58/80/60/345588060.db2.gz ZLCWGIXLPLZRHV-NKWVEPMBSA-N 0 1 188.296 0.382 10 0 ACAEMN C[C@@H]1OCCN(CC(N)=S)[C@@H]1C 306745058 345588156 /nfs/dbraw/zinc/58/81/56/345588156.db2.gz ZLCWGIXLPLZRHV-RQJHMYQMSA-N 0 1 188.296 0.382 10 0 ACAEMN C[NH+](C)C1CN(c2[nH]cc[nH+]2)C1 306744772 345588184 /nfs/dbraw/zinc/58/81/84/345588184.db2.gz YTKNSDDJGIEXPI-UHFFFAOYSA-N 0 1 166.228 0.160 10 0 ACAEMN C[C@@H]1OCCN(CC(N)=S)[C@H]1C 306745055 345588282 /nfs/dbraw/zinc/58/82/82/345588282.db2.gz ZLCWGIXLPLZRHV-BQBZGAKWSA-N 0 1 188.296 0.382 10 0 ACAEMN CCOC(C)(C)C(=O)CN 306746104 345588815 /nfs/dbraw/zinc/58/88/15/345588815.db2.gz CXUCATVXYPOUSO-UHFFFAOYSA-N 0 1 145.202 0.329 10 0 ACAEMN N[C@@H](C1=CCCO1)c1cn[nH]c1 306750384 345591208 /nfs/dbraw/zinc/59/12/08/345591208.db2.gz IVRZUWMWGBAAFE-MRVPVSSYSA-N 0 1 165.196 0.714 10 0 ACAEMN N[C@H](C1=CCCO1)c1cn[nH]c1 306750387 345591236 /nfs/dbraw/zinc/59/12/36/345591236.db2.gz IVRZUWMWGBAAFE-QMMMGPOBSA-N 0 1 165.196 0.714 10 0 ACAEMN CC[C@H]1C[C@H]1C(=O)CN 306751755 345591493 /nfs/dbraw/zinc/59/14/93/345591493.db2.gz LJHSVOCBDHCHCC-NTSWFWBYSA-N 0 1 127.187 0.560 10 0 ACAEMN CC[C@@H]1C[C@@H]1C(=O)CN 306751757 345591641 /nfs/dbraw/zinc/59/16/41/345591641.db2.gz LJHSVOCBDHCHCC-RITPCOANSA-N 0 1 127.187 0.560 10 0 ACAEMN CC[C@H]1C[C@@H]1C(=O)CN 306751759 345591689 /nfs/dbraw/zinc/59/16/89/345591689.db2.gz LJHSVOCBDHCHCC-WDSKDSINSA-N 0 1 127.187 0.560 10 0 ACAEMN O=C(C1CCC1)N1CCNC1 306753142 345592578 /nfs/dbraw/zinc/59/25/78/345592578.db2.gz OPRZPAHMHFDVIY-UHFFFAOYSA-N 0 1 154.213 0.176 10 0 ACAEMN O=C1CCNC[C@H]1Cc1cnsn1 306756135 345593487 /nfs/dbraw/zinc/59/34/87/345593487.db2.gz RAJULZYFVOPLIZ-ZCFIWIBFSA-N 0 1 197.263 0.259 10 0 ACAEMN O=C1CCNC[C@@H]1Cc1cnsn1 306756133 345593543 /nfs/dbraw/zinc/59/35/43/345593543.db2.gz RAJULZYFVOPLIZ-LURJTMIESA-N 0 1 197.263 0.259 10 0 ACAEMN O[C@@H](c1ccsn1)c1nnc[nH]1 306757239 345593973 /nfs/dbraw/zinc/59/39/73/345593973.db2.gz SEAZPADBVKADTL-YFKPBYRVSA-N 0 1 182.208 0.343 10 0 ACAEMN O[C@H](c1ccsn1)c1nnc[nH]1 306757238 345594026 /nfs/dbraw/zinc/59/40/26/345594026.db2.gz SEAZPADBVKADTL-RXMQYKEDSA-N 0 1 182.208 0.343 10 0 ACAEMN O=C([O-])[C@H](O)C[N@H+]1CC[C@H]2CCC[C@H]21 306761783 345597161 /nfs/dbraw/zinc/59/71/61/345597161.db2.gz CWLQSOJEUYURNA-IWSPIJDZSA-N 0 1 199.250 0.306 10 0 ACAEMN O=C([O-])[C@H](O)C[N@H+]1CC[C@@H]2CCC[C@H]21 306761781 345597172 /nfs/dbraw/zinc/59/71/72/345597172.db2.gz CWLQSOJEUYURNA-DJLDLDEBSA-N 0 1 199.250 0.306 10 0 ACAEMN O=C([O-])[C@H](O)C[N@H+]1CC[C@H]2CCC[C@@H]21 306761782 345597328 /nfs/dbraw/zinc/59/73/28/345597328.db2.gz CWLQSOJEUYURNA-HRDYMLBCSA-N 0 1 199.250 0.306 10 0 ACAEMN O=C([O-])[C@H](O)C[N@H+]1CC[C@@H]2CCC[C@@H]21 306761784 345597379 /nfs/dbraw/zinc/59/73/79/345597379.db2.gz CWLQSOJEUYURNA-XHNCKOQMSA-N 0 1 199.250 0.306 10 0 ACAEMN CN(C)c1ccnc(NC(N)=O)c1 306761482 345597416 /nfs/dbraw/zinc/59/74/16/345597416.db2.gz ZSCUXSXRXUKAOZ-UHFFFAOYSA-N 0 1 180.211 0.638 10 0 ACAEMN C[C@H]1C[C@H]1C(=O)Nc1c[nH]nn1 306764244 345599854 /nfs/dbraw/zinc/59/98/54/345599854.db2.gz VFWVOIDAUDXBOL-CRCLSJGQSA-N 0 1 166.184 0.399 10 0 ACAEMN C[C@@H]1C[C@@H]1C(=O)Nc1c[nH]nn1 306764246 345599870 /nfs/dbraw/zinc/59/98/70/345599870.db2.gz VFWVOIDAUDXBOL-UHNVWZDZSA-N 0 1 166.184 0.399 10 0 ACAEMN C[C@@H]1C[C@H]1C(=O)Nc1c[nH]nn1 306764245 345599963 /nfs/dbraw/zinc/59/99/63/345599963.db2.gz VFWVOIDAUDXBOL-RFZPGFLSSA-N 0 1 166.184 0.399 10 0 ACAEMN C[C@H]1C[C@@H]1C(=O)Nc1c[nH]nn1 306764247 345600011 /nfs/dbraw/zinc/60/00/11/345600011.db2.gz VFWVOIDAUDXBOL-WHFBIAKZSA-N 0 1 166.184 0.399 10 0 ACAEMN C[C@H](n1nnnc1CN)C(C)(F)F 306765139 345600394 /nfs/dbraw/zinc/60/03/94/345600394.db2.gz HWJHDDRIKIFGGT-BYPYZUCNSA-N 0 1 191.185 0.348 10 0 ACAEMN C[C@@H](n1nnnc1CN)C(C)(F)F 306765140 345600495 /nfs/dbraw/zinc/60/04/95/345600495.db2.gz HWJHDDRIKIFGGT-SCSAIBSYSA-N 0 1 191.185 0.348 10 0 ACAEMN C[C@@H](N)c1noc(-c2cocn2)n1 306767287 345601648 /nfs/dbraw/zinc/60/16/48/345601648.db2.gz XVTZMDZVWGOOFQ-SCSAIBSYSA-N 0 1 180.167 0.744 10 0 ACAEMN C[C@H](N)c1noc(-c2cocn2)n1 306767286 345601694 /nfs/dbraw/zinc/60/16/94/345601694.db2.gz XVTZMDZVWGOOFQ-BYPYZUCNSA-N 0 1 180.167 0.744 10 0 ACAEMN C[C@H]1CC[C@@H]1NCc1cn(C)nn1 306768094 345602227 /nfs/dbraw/zinc/60/22/27/345602227.db2.gz YSKITNDSZNEYTI-CBAPKCEASA-N 0 1 180.255 0.703 10 0 ACAEMN C[C@H]1CC[C@H]1NCc1cn(C)nn1 306768096 345602432 /nfs/dbraw/zinc/60/24/32/345602432.db2.gz YSKITNDSZNEYTI-IONNQARKSA-N 0 1 180.255 0.703 10 0 ACAEMN C[S@](=O)N1CCCC[C@H]1N 306768441 345602789 /nfs/dbraw/zinc/60/27/89/345602789.db2.gz PVKGHPMUAJAXAP-WKEGUHRASA-N 0 1 162.258 0.051 10 0 ACAEMN CCNC1=N[C@]2(CCOC2)CS1 306768681 345602881 /nfs/dbraw/zinc/60/28/81/345602881.db2.gz PZZXVDZJYGYAML-QMMMGPOBSA-N 0 1 186.280 0.858 10 0 ACAEMN C[S@](=O)N1CCCC[C@@H]1N 306768438 345602906 /nfs/dbraw/zinc/60/29/06/345602906.db2.gz PVKGHPMUAJAXAP-LDWIPMOCSA-N 0 1 162.258 0.051 10 0 ACAEMN C[S@@](=O)N1CCCC[C@@H]1N 306768439 345602915 /nfs/dbraw/zinc/60/29/15/345602915.db2.gz PVKGHPMUAJAXAP-LHLIQPBNSA-N 0 1 162.258 0.051 10 0 ACAEMN C[S@@](=O)N1CCCC[C@H]1N 306768440 345603003 /nfs/dbraw/zinc/60/30/03/345603003.db2.gz PVKGHPMUAJAXAP-QUBYGPBYSA-N 0 1 162.258 0.051 10 0 ACAEMN CCNC1=N[C@@]2(CCOC2)CS1 306768680 345603097 /nfs/dbraw/zinc/60/30/97/345603097.db2.gz PZZXVDZJYGYAML-MRVPVSSYSA-N 0 1 186.280 0.858 10 0 ACAEMN CC(C)(C)C[C@]1(C)NCCNC1=O 306769816 345603342 /nfs/dbraw/zinc/60/33/42/345603342.db2.gz ARXMQEOAKHKTOF-JTQLQIEISA-N 0 1 184.283 0.901 10 0 ACAEMN CC(C)(C)C[C@@]1(C)NCCNC1=O 306769817 345603570 /nfs/dbraw/zinc/60/35/70/345603570.db2.gz ARXMQEOAKHKTOF-SNVBAGLBSA-N 0 1 184.283 0.901 10 0 ACAEMN CC1(C)CC(NC(=O)c2ncn[nH]2)C1 306770618 345603947 /nfs/dbraw/zinc/60/39/47/345603947.db2.gz QRBPCPPHLBNQAO-UHFFFAOYSA-N 0 1 194.238 0.723 10 0 ACAEMN CC1(C)CC(NC(=O)c2nc[nH]n2)C1 306770618 345603950 /nfs/dbraw/zinc/60/39/50/345603950.db2.gz QRBPCPPHLBNQAO-UHFFFAOYSA-N 0 1 194.238 0.723 10 0 ACAEMN Nc1ccncc1-c1ncno1 306770710 345604300 /nfs/dbraw/zinc/60/43/00/345604300.db2.gz AWAXELKUEYHQEE-UHFFFAOYSA-N 0 1 162.152 0.714 10 0 ACAEMN CC1N=NC(=S)N1CC1CN(C)C1 306772444 345605246 /nfs/dbraw/zinc/60/52/46/345605246.db2.gz SJMDQWCPYHIXSG-UHFFFAOYSA-N 0 1 198.295 0.437 10 0 ACAEMN CN1CC(CNc2ccncn2)C1 306774330 345606265 /nfs/dbraw/zinc/60/62/65/345606265.db2.gz VMCXNTDLVUBINW-UHFFFAOYSA-N 0 1 178.239 0.450 10 0 ACAEMN O=C(C1CC(F)(F)C1)N1CCNC1 306774200 345606298 /nfs/dbraw/zinc/60/62/98/345606298.db2.gz JPIATBRMOLNTHN-UHFFFAOYSA-N 0 1 190.193 0.421 10 0 ACAEMN CCc1cnc([C@H](N)CO)s1 306773891 345606318 /nfs/dbraw/zinc/60/63/18/345606318.db2.gz UZKLUNGAPWZUKS-ZCFIWIBFSA-N 0 1 172.253 0.698 10 0 ACAEMN CCc1cnc([C@@H](N)CO)s1 306773890 345606380 /nfs/dbraw/zinc/60/63/80/345606380.db2.gz UZKLUNGAPWZUKS-LURJTMIESA-N 0 1 172.253 0.698 10 0 ACAEMN Cn1[nH]c(Cn2cccc2)cc1=O 306775684 345606831 /nfs/dbraw/zinc/60/68/31/345606831.db2.gz XEWHCLGCFIAGKW-UHFFFAOYSA-N 0 1 177.207 0.563 10 0 ACAEMN CCc1nc2c(NC)ncnc2[nH]1 306780089 345609016 /nfs/dbraw/zinc/60/90/16/345609016.db2.gz CRJURAHYYDIKRE-UHFFFAOYSA-N 0 1 177.211 0.957 10 0 ACAEMN CNC(=O)CN(C)C1CCC1 306783463 345611358 /nfs/dbraw/zinc/61/13/58/345611358.db2.gz GUKARWXCCLCRFG-UHFFFAOYSA-N 0 1 156.229 0.217 10 0 ACAEMN Cc1cnc(CN[C@@H]2CCOC2)n1C 306783717 345611474 /nfs/dbraw/zinc/61/14/74/345611474.db2.gz LMBQJNWQGFVLCF-SECBINFHSA-N 0 1 195.266 0.607 10 0 ACAEMN Cc1cnc(CN[C@H]2CCOC2)n1C 306783718 345611481 /nfs/dbraw/zinc/61/14/81/345611481.db2.gz LMBQJNWQGFVLCF-VIFPVBQESA-N 0 1 195.266 0.607 10 0 ACAEMN c1ncc(CN2CCCN2)[nH]1 306783950 345611860 /nfs/dbraw/zinc/61/18/60/345611860.db2.gz RPBQBNFRQRDDFM-UHFFFAOYSA-N 0 1 152.201 0.120 10 0 ACAEMN CCOC1CN([C@H]2CCC[C@@H]2O)C1 306784802 345612608 /nfs/dbraw/zinc/61/26/08/345612608.db2.gz MSMWTPQFTPIQJP-UWVGGRQHSA-N 0 1 185.267 0.621 10 0 ACAEMN CCCNC(=O)N1CCNC(C)(C)C1 306789001 345615552 /nfs/dbraw/zinc/61/55/52/345615552.db2.gz SQYQVJBFELJCMY-UHFFFAOYSA-N 0 1 199.298 0.790 10 0 ACAEMN CN1CC(Nc2cccc(N)n2)C1 306789115 345615584 /nfs/dbraw/zinc/61/55/84/345615584.db2.gz PIWBGXRLADTRQC-UHFFFAOYSA-N 0 1 178.239 0.390 10 0 ACAEMN Cc1cc(C(=O)N2CCNC2)co1 306790940 345616958 /nfs/dbraw/zinc/61/69/58/345616958.db2.gz ZHTAIKHVNMGKHO-UHFFFAOYSA-N 0 1 180.207 0.591 10 0 ACAEMN CO[C@H](C)c1cc(CN)on1 306791299 345617527 /nfs/dbraw/zinc/61/75/27/345617527.db2.gz XBWRQISPWIJGTM-RXMQYKEDSA-N 0 1 156.185 0.841 10 0 ACAEMN CO[C@@H](C)c1cc(CN)on1 306791300 345617554 /nfs/dbraw/zinc/61/75/54/345617554.db2.gz XBWRQISPWIJGTM-YFKPBYRVSA-N 0 1 156.185 0.841 10 0 ACAEMN CC(C)[S@@](=O)N1CCNC[C@@H]1C 306794498 345619884 /nfs/dbraw/zinc/61/98/84/345619884.db2.gz FXXKWQWCQQSHCV-QPUJVOFHSA-N 0 1 190.312 0.352 10 0 ACAEMN CC(C)[S@@](=O)N1CCNC[C@H]1C 306794497 345619960 /nfs/dbraw/zinc/61/99/60/345619960.db2.gz FXXKWQWCQQSHCV-PRHODGIISA-N 0 1 190.312 0.352 10 0 ACAEMN CC(C)[S@](=O)N1CCNC[C@H]1C 306794496 345619979 /nfs/dbraw/zinc/61/99/79/345619979.db2.gz FXXKWQWCQQSHCV-PELKAZGASA-N 0 1 190.312 0.352 10 0 ACAEMN CC(C)[S@](=O)N1CCNC[C@@H]1C 306794499 345620001 /nfs/dbraw/zinc/62/00/01/345620001.db2.gz FXXKWQWCQQSHCV-UFBFGSQYSA-N 0 1 190.312 0.352 10 0 ACAEMN CCON=C1N[C@@H]2CCCC[C@H]2N1 306797923 345621341 /nfs/dbraw/zinc/62/13/41/345621341.db2.gz LFNSSENVNUPZHA-HTQZYQBOSA-N 0 1 183.255 0.798 10 0 ACAEMN CCON=C1N[C@H]2CCCC[C@@H]2N1 306797928 345621464 /nfs/dbraw/zinc/62/14/64/345621464.db2.gz LFNSSENVNUPZHA-YUMQZZPRSA-N 0 1 183.255 0.798 10 0 ACAEMN CCON=C1N[C@H]2CCCC[C@H]2N1 306797925 345621728 /nfs/dbraw/zinc/62/17/28/345621728.db2.gz LFNSSENVNUPZHA-OCAPTIKFSA-N 0 1 183.255 0.798 10 0 ACAEMN C[C@H]1CC[C@H](c2nc(CO)n[nH]2)O1 306801035 345623047 /nfs/dbraw/zinc/62/30/47/345623047.db2.gz QDWMDHJYLBILQF-NTSWFWBYSA-N 0 1 183.211 0.537 10 0 ACAEMN C[C@H]1CC[C@@H](c2nc(CO)n[nH]2)O1 306801038 345623107 /nfs/dbraw/zinc/62/31/07/345623107.db2.gz QDWMDHJYLBILQF-WDSKDSINSA-N 0 1 183.211 0.537 10 0 ACAEMN C[C@@H]1CC[C@H](c2nc(CO)n[nH]2)O1 306801036 345623150 /nfs/dbraw/zinc/62/31/50/345623150.db2.gz QDWMDHJYLBILQF-PHDIDXHHSA-N 0 1 183.211 0.537 10 0 ACAEMN CCc1noc([C@H]2CCN2)n1 306800361 345623409 /nfs/dbraw/zinc/62/34/09/345623409.db2.gz OMSCVAPQOJDNPQ-RXMQYKEDSA-N 0 1 153.185 0.666 10 0 ACAEMN COc1nccnc1[C@@H]1C=CCN1 306800396 345623496 /nfs/dbraw/zinc/62/34/96/345623496.db2.gz OQFIVAJNINDDOI-ZETCQYMHSA-N 0 1 177.207 0.686 10 0 ACAEMN COc1nccnc1[C@H]1C=CCN1 306800395 345623520 /nfs/dbraw/zinc/62/35/20/345623520.db2.gz OQFIVAJNINDDOI-SSDOTTSWSA-N 0 1 177.207 0.686 10 0 ACAEMN C[C@@H]1CC[C@@H](c2nc(CO)n[nH]2)O1 306801037 345623531 /nfs/dbraw/zinc/62/35/31/345623531.db2.gz QDWMDHJYLBILQF-RITPCOANSA-N 0 1 183.211 0.537 10 0 ACAEMN CN1CC(CNc2nc(N)ns2)C1 306803496 345624883 /nfs/dbraw/zinc/62/48/83/345624883.db2.gz ASRYPOOCBAHAOX-UHFFFAOYSA-N 0 1 199.283 0.094 10 0 ACAEMN CC[S@](=O)N1CCC[C@H](C)[C@H]1N 306806740 345626797 /nfs/dbraw/zinc/62/67/97/345626797.db2.gz KSEWZFHMFAFWPK-UBJUHAIHSA-N 0 1 190.312 0.687 10 0 ACAEMN CC[S@](=O)N1CCC[C@@H](C)[C@@H]1N 306806738 345626638 /nfs/dbraw/zinc/62/66/38/345626638.db2.gz KSEWZFHMFAFWPK-RWYTXXIDSA-N 0 1 190.312 0.687 10 0 ACAEMN C[C@@H](N)c1noc(Cc2ccon2)n1 306806282 345626681 /nfs/dbraw/zinc/62/66/81/345626681.db2.gz JFCWYMBVJUZTCC-RXMQYKEDSA-N 0 1 194.194 0.668 10 0 ACAEMN C[C@H](N)c1noc(Cc2ccon2)n1 306806283 345626794 /nfs/dbraw/zinc/62/67/94/345626794.db2.gz JFCWYMBVJUZTCC-YFKPBYRVSA-N 0 1 194.194 0.668 10 0 ACAEMN CC[S@](=O)N1CCC[C@@H](C)[C@H]1N 306806737 345626801 /nfs/dbraw/zinc/62/68/01/345626801.db2.gz KSEWZFHMFAFWPK-LWINAJNOSA-N 0 1 190.312 0.687 10 0 ACAEMN CC[S@](=O)N1CCC[C@H](C)[C@@H]1N 306806739 345626915 /nfs/dbraw/zinc/62/69/15/345626915.db2.gz KSEWZFHMFAFWPK-SXMVTHIZSA-N 0 1 190.312 0.687 10 0 ACAEMN CC(C)[S@](=O)N1CCC[C@@H]1N 306807494 345627152 /nfs/dbraw/zinc/62/71/52/345627152.db2.gz MNLQDDWOYYHCQA-HQJQHLMTSA-N 0 1 176.285 0.439 10 0 ACAEMN Cc1cocc1C(=O)[C@@H]1CNCCO1 306807633 345627163 /nfs/dbraw/zinc/62/71/63/345627163.db2.gz MWWCYQZNFCPZKR-VIFPVBQESA-N 0 1 195.218 0.759 10 0 ACAEMN Cc1cocc1C(=O)[C@H]1CNCCO1 306807632 345627200 /nfs/dbraw/zinc/62/72/00/345627200.db2.gz MWWCYQZNFCPZKR-SECBINFHSA-N 0 1 195.218 0.759 10 0 ACAEMN CC(C)[S@@](=O)N1CCC[C@@H]1N 306807495 345627231 /nfs/dbraw/zinc/62/72/31/345627231.db2.gz MNLQDDWOYYHCQA-RDDDGLTNSA-N 0 1 176.285 0.439 10 0 ACAEMN CC(C)[S@@](=O)N1CCC[C@H]1N 306807496 345627359 /nfs/dbraw/zinc/62/73/59/345627359.db2.gz MNLQDDWOYYHCQA-WRWORJQWSA-N 0 1 176.285 0.439 10 0 ACAEMN CC(C)[S@](=O)N1CCC[C@H]1N 306807493 345627366 /nfs/dbraw/zinc/62/73/66/345627366.db2.gz MNLQDDWOYYHCQA-CPCISQLKSA-N 0 1 176.285 0.439 10 0 ACAEMN N[C@H](c1ccncn1)C1(CO)CCC1 306807829 345627665 /nfs/dbraw/zinc/62/76/65/345627665.db2.gz NGYMDGJLIJVIOG-SECBINFHSA-N 0 1 193.250 0.639 10 0 ACAEMN N[C@@H](c1ccncn1)C1(CO)CCC1 306807830 345627793 /nfs/dbraw/zinc/62/77/93/345627793.db2.gz NGYMDGJLIJVIOG-VIFPVBQESA-N 0 1 193.250 0.639 10 0 ACAEMN Cc1[nH]ncc1CN[S@](C)=O 306811289 345630249 /nfs/dbraw/zinc/63/02/49/345630249.db2.gz WNSQZNWLWMOTKB-NSHDSACASA-N 0 1 173.241 0.101 10 0 ACAEMN Cc1[nH]ncc1CN[S@@](C)=O 306811288 345630523 /nfs/dbraw/zinc/63/05/23/345630523.db2.gz WNSQZNWLWMOTKB-LLVKDONJSA-N 0 1 173.241 0.101 10 0 ACAEMN CCc1cnc(NN)[nH+]c1C 306813477 345631389 /nfs/dbraw/zinc/63/13/89/345631389.db2.gz AJXCOQKRMJXOEJ-UHFFFAOYSA-N 0 1 152.201 0.633 10 0 ACAEMN Cc1nc([C@@H](C)NC(N)=S)n[nH]1 306815307 345632290 /nfs/dbraw/zinc/63/22/90/345632290.db2.gz DGBRDBSYVRAFCI-GSVOUGTGSA-N 0 1 185.256 0.007 10 0 ACAEMN Cc1nc([C@H](C)NC(N)=S)n[nH]1 306815310 345632425 /nfs/dbraw/zinc/63/24/25/345632425.db2.gz DGBRDBSYVRAFCI-VKHMYHEASA-N 0 1 185.256 0.007 10 0 ACAEMN Cn1cnnc1[C@H](N)[C@@H]1CCCS1 306817743 345633297 /nfs/dbraw/zinc/63/32/97/345633297.db2.gz DSNRHUDYCQORCY-NKWVEPMBSA-N 0 1 198.295 0.711 10 0 ACAEMN Cn1cnnc1[C@H](N)[C@H]1CCCS1 306817745 345633306 /nfs/dbraw/zinc/63/33/06/345633306.db2.gz DSNRHUDYCQORCY-RNFRBKRXSA-N 0 1 198.295 0.711 10 0 ACAEMN Cn1cnnc1[C@@H](N)[C@H]1CCCS1 306817747 345633412 /nfs/dbraw/zinc/63/34/12/345633412.db2.gz DSNRHUDYCQORCY-RQJHMYQMSA-N 0 1 198.295 0.711 10 0 ACAEMN Cn1cnnc1[C@@H](N)[C@@H]1CCCS1 306817741 345633521 /nfs/dbraw/zinc/63/35/21/345633521.db2.gz DSNRHUDYCQORCY-BQBZGAKWSA-N 0 1 198.295 0.711 10 0 ACAEMN Cc1cnn(C)c1C(=O)C1(N)CCC1 306819087 345634606 /nfs/dbraw/zinc/63/46/06/345634606.db2.gz GLUWRVXWCOXTBX-UHFFFAOYSA-N 0 1 193.250 0.793 10 0 ACAEMN CCn1c(-c2nccn2C)cnc1N 306819691 345634945 /nfs/dbraw/zinc/63/49/45/345634945.db2.gz HJUVXRVUNVHLLA-UHFFFAOYSA-N 0 1 191.238 0.886 10 0 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