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SWEUYEWTZQJGAL-NXEZZACHSA-N 1 1 258.318 -0.225 20 70 CBIDMO CCOC(=O)C[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000160387847 520877151 /nfs/dbraw/zinc/87/71/51/520877151.db2.gz SWEUYEWTZQJGAL-VHSXEESVSA-N 1 1 258.318 -0.225 20 70 CBIDMO CCOC(=O)C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000160387847 520877159 /nfs/dbraw/zinc/87/71/59/520877159.db2.gz SWEUYEWTZQJGAL-VHSXEESVSA-N 1 1 258.318 -0.225 20 70 CBIDMO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CSC[NH2+]1 ZINC000159859643 351966607 /nfs/dbraw/zinc/96/66/07/351966607.db2.gz NBBYUGNOKASJGZ-RQJHMYQMSA-N 1 1 297.302 -0.072 20 70 CBIDMO CC[N@H+]1CCCN(C(=O)NCCN2C(=O)CCC2=O)CC1 ZINC000159859730 351967137 /nfs/dbraw/zinc/96/71/37/351967137.db2.gz CBVDVUSVRVBKAS-UHFFFAOYSA-N 1 1 296.371 -0.127 20 70 CBIDMO COC(=O)CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C1CC1 ZINC000160879287 351972975 /nfs/dbraw/zinc/97/29/75/351972975.db2.gz ZRVCURQSISFRFB-WPRPVWTQSA-N 1 1 258.318 -0.633 20 70 CBIDMO NC(=O)[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)O1)c1ccc(F)cc1 ZINC000160777424 351973089 /nfs/dbraw/zinc/97/30/89/351973089.db2.gz CMPOQWKWNZVOKI-UTUOFQBUSA-N 1 1 295.314 -0.025 20 70 CBIDMO Cn1cc(N2CCN(C(=O)[C@@H]3CSC[NH2+]3)CC2=O)cn1 ZINC000161022872 351973833 /nfs/dbraw/zinc/97/38/33/351973833.db2.gz QPBRZYFAPKDDFI-JTQLQIEISA-N 1 1 295.368 -0.742 20 70 CBIDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ccc(C(N)=O)nn1 ZINC000218053165 352234189 /nfs/dbraw/zinc/23/41/89/352234189.db2.gz LULLHKMMBAQFOM-VIFPVBQESA-N 1 1 264.333 -0.767 20 70 CBIDMO COC(=O)[C@@H](C)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159389447 291234149 /nfs/dbraw/zinc/23/41/49/291234149.db2.gz JXDWKJAZFXRMIL-ZYHUDNBSSA-N 1 1 283.372 -0.038 20 70 CBIDMO CC[N@H+](CCNC[C@H](O)CN1CCOCC1)C1CC1 ZINC000218467708 372868901 /nfs/dbraw/zinc/86/89/01/372868901.db2.gz JPFWJYASSWFULD-AWEZNQCLSA-N 1 1 271.405 -0.247 20 70 CBIDMO CC[N@@H+](CCNC[C@H](O)CN1CCOCC1)C1CC1 ZINC000218467708 372868907 /nfs/dbraw/zinc/86/89/07/372868907.db2.gz JPFWJYASSWFULD-AWEZNQCLSA-N 1 1 271.405 -0.247 20 70 CBIDMO O=C(NCCC[NH+]1CCOCC1)N[C@@H]1CCOC1 ZINC000159438661 207390065 /nfs/dbraw/zinc/39/00/65/207390065.db2.gz BIGXBZPLFAOOFN-LLVKDONJSA-N 1 1 257.334 -0.203 20 70 CBIDMO CC(=O)N1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)CC1 ZINC000159485554 207390663 /nfs/dbraw/zinc/39/06/63/207390663.db2.gz GOYLAJUOPMHZSY-KBPBESRZSA-N 1 1 297.399 -0.230 20 70 CBIDMO CCCN(C)S(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000160823836 207391993 /nfs/dbraw/zinc/39/19/93/207391993.db2.gz APWMXJILGQRCRA-UHFFFAOYSA-N 1 1 293.433 -0.039 20 70 CBIDMO O=C(CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)N1CCNCC1 ZINC000160329642 544473474 /nfs/dbraw/zinc/47/34/74/544473474.db2.gz PCXRLYSMQCAZCN-OLZOCXBDSA-N 1 1 294.399 -0.591 20 70 CBIDMO O=C(CC[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)N1CCNCC1 ZINC000160329642 544473478 /nfs/dbraw/zinc/47/34/78/544473478.db2.gz PCXRLYSMQCAZCN-OLZOCXBDSA-N 1 1 294.399 -0.591 20 70 CBIDMO COC[C@H](O)CNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160681299 544475852 /nfs/dbraw/zinc/47/58/52/544475852.db2.gz ADQFEZWICLXQAI-NWDGAFQWSA-N 1 1 271.361 -0.223 20 70 CBIDMO COCCOCC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000218079343 419565034 /nfs/dbraw/zinc/56/50/34/419565034.db2.gz PLEJVMVMUBRUPL-ZDUSSCGKSA-N 1 1 286.372 -0.027 20 70 CBIDMO COC[C@H](O)CCNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000160976307 328104638 /nfs/dbraw/zinc/10/46/38/328104638.db2.gz GHNWYJALIPVBAC-GHMZBOCLSA-N 1 1 276.402 -0.063 20 70 CBIDMO CNC(=O)CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000217032517 329316669 /nfs/dbraw/zinc/31/66/69/329316669.db2.gz RNJUPAQNRBZZNL-NEPJUHHUSA-N 1 1 282.388 -0.687 20 70 CBIDMO C[C@H](NC(=O)C[N@@H+](C)C[C@@H]1CCC[C@@H]1O)C(=O)N(C)C ZINC000159764906 351965266 /nfs/dbraw/zinc/96/52/66/351965266.db2.gz DNEKTXNDVHUJRU-SRVKXCTJSA-N 1 1 285.388 -0.328 20 70 CBIDMO C[C@@](O)(CNC(=O)[C@@H]1CCCCO1)C[NH+]1CCOCC1 ZINC000159894554 351966438 /nfs/dbraw/zinc/96/64/38/351966438.db2.gz FHQYOMVOKFMHIF-GXTWGEPZSA-N 1 1 286.372 -0.245 20 70 CBIDMO COC(=O)Cn1cc(CC[N@H+]2CCC[C@H]2CO)nn1 ZINC000159851509 351967064 /nfs/dbraw/zinc/96/70/64/351967064.db2.gz ROSJUXFQVQPQAV-NSHDSACASA-N 1 1 268.317 -0.550 20 70 CBIDMO CCS(=O)(=O)C[C@@H](C)NC(=O)[C@@H]1CSC[NH2+]1 ZINC000160092755 351967643 /nfs/dbraw/zinc/96/76/43/351967643.db2.gz BGBOHXHQYRBXIN-SFYZADRCSA-N 1 1 266.388 -0.412 20 70 CBIDMO O=C(NCCCOCC1CCOCC1)[C@H]1COCC[NH2+]1 ZINC000160579262 351971301 /nfs/dbraw/zinc/97/13/01/351971301.db2.gz GYSMWNQJBQHBSY-CYBMUJFWSA-N 1 1 286.372 -0.076 20 70 CBIDMO NC(=O)[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)O1)c1ccccc1 ZINC000160785771 351973079 /nfs/dbraw/zinc/97/30/79/351973079.db2.gz MJIXLVRZFPCHMV-IJLUTSLNSA-N 1 1 277.324 -0.165 20 70 CBIDMO Cn1cc(N2CC[C@H](NC(=O)[C@H]3CSC[NH2+]3)C2=O)cn1 ZINC000161140236 351973256 /nfs/dbraw/zinc/97/32/56/351973256.db2.gz ZRPRLWDAVZOSMI-VHSXEESVSA-N 1 1 295.368 -0.696 20 70 CBIDMO C[C@@](O)(CNC(=O)[C@H]1CCCCO1)C[NH+]1CCOCC1 ZINC000159894832 137626492 /nfs/dbraw/zinc/62/64/92/137626492.db2.gz FHQYOMVOKFMHIF-TZMCWYRMSA-N 1 1 286.372 -0.245 20 70 CBIDMO 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CC(C)NC(=O)CN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159421531 351963602 /nfs/dbraw/zinc/96/36/02/351963602.db2.gz AIEMLSZNJOQTBZ-ZDUSSCGKSA-N 1 1 296.415 -0.075 20 70 CBIDMO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H](C)O)CC1 ZINC000159429971 351963855 /nfs/dbraw/zinc/96/38/55/351963855.db2.gz KHZVKQFMZIJLHK-MNOVXSKESA-N 1 1 271.361 -0.622 20 70 CBIDMO CN(CC(F)(F)F)C(=O)C[N@H+](C)CC(C)(CO)CO ZINC000159555037 351964560 /nfs/dbraw/zinc/96/45/60/351964560.db2.gz OWWSMVBJWUPQBX-UHFFFAOYSA-N 1 1 286.294 -0.070 20 70 CBIDMO CN(CC(F)(F)F)C(=O)C[N@@H+](C)CC(C)(CO)CO ZINC000159555037 351964566 /nfs/dbraw/zinc/96/45/66/351964566.db2.gz OWWSMVBJWUPQBX-UHFFFAOYSA-N 1 1 286.294 -0.070 20 70 CBIDMO CSCC[C@@H](CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000159898389 351966668 /nfs/dbraw/zinc/96/66/68/351966668.db2.gz QCLHMAUZSSCSDZ-VHSXEESVSA-N 1 1 262.375 -0.453 20 70 CBIDMO CSCC[C@@H](CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000159898389 351966670 /nfs/dbraw/zinc/96/66/70/351966670.db2.gz QCLHMAUZSSCSDZ-VHSXEESVSA-N 1 1 262.375 -0.453 20 70 CBIDMO COC(=O)CNC(=O)C[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159838957 351967238 /nfs/dbraw/zinc/96/72/38/351967238.db2.gz OTZPNXCQDNPEAO-ZJUUUORDSA-N 1 1 258.318 -0.632 20 70 CBIDMO CC[N@H+]1CCCN(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1 ZINC000159986983 351968290 /nfs/dbraw/zinc/96/82/90/351968290.db2.gz FMCUHVINUPBPFS-VXGBXAGGSA-N 1 1 298.387 -0.244 20 70 CBIDMO NC(=O)[C@H]([NH2+]C[C@@H]1CC[C@H](C(N)=O)O1)c1ccccc1 ZINC000160785533 283343386 /nfs/dbraw/zinc/34/33/86/283343386.db2.gz MJIXLVRZFPCHMV-QJPTWQEYSA-N 1 1 277.324 -0.165 20 70 CBIDMO C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1CCC[C@@H]1O ZINC000159536288 207390373 /nfs/dbraw/zinc/39/03/73/207390373.db2.gz GBEBRCZOVDJOPH-UWVGGRQHSA-N 1 1 250.364 -0.372 20 70 CBIDMO O=C(NCCC[NH+]1CCOCC1)N[C@H]1CCOC1 ZINC000159438804 207391531 /nfs/dbraw/zinc/39/15/31/207391531.db2.gz BIGXBZPLFAOOFN-NSHDSACASA-N 1 1 257.334 -0.203 20 70 CBIDMO CCN1CCN(CC(=O)N2CCC[C@H]2C[NH3+])CC1 ZINC000160322786 207392958 /nfs/dbraw/zinc/39/29/58/207392958.db2.gz IUMKXZYZUGUEPM-LBPRGKRZSA-N 1 1 254.378 -0.426 20 70 CBIDMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCCCO2)CC1 ZINC000161423945 207393441 /nfs/dbraw/zinc/39/34/41/207393441.db2.gz VSBDZXHGNHBYKX-GFCCVEGCSA-N 1 1 283.372 -0.118 20 70 CBIDMO COC(=O)CNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159578495 351964807 /nfs/dbraw/zinc/96/48/07/351964807.db2.gz BHNSPBWQDAZZTB-DCAQKATOSA-N 1 1 272.345 -0.243 20 70 CBIDMO C[N@H+](CC(=O)N1CCNC1=O)C[C@@H]1CCC[C@@H]1O ZINC000159754935 351965154 /nfs/dbraw/zinc/96/51/54/351965154.db2.gz RFZHGLDBYHEACD-UWVGGRQHSA-N 1 1 255.318 -0.369 20 70 CBIDMO COC(=O)CNC(=O)CC[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159788371 351965883 /nfs/dbraw/zinc/96/58/83/351965883.db2.gz HKRRBBVLAUCPEO-QWRGUYRKSA-N 1 1 272.345 -0.242 20 70 CBIDMO CCNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159673215 351965989 /nfs/dbraw/zinc/96/59/89/351965989.db2.gz ICGZPHHZDLNISB-ZJUUUORDSA-N 1 1 257.334 -0.075 20 70 CBIDMO 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FURDIMHCQORIPD-NSHDSACASA-N 1 1 282.388 -0.096 20 70 CBIDMO CC[C@H](C)N(C)CC[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000217394091 220235513 /nfs/dbraw/zinc/23/55/13/220235513.db2.gz FURDIMHCQORIPD-NSHDSACASA-N 1 1 282.388 -0.096 20 70 CBIDMO CN(C)CC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000217039360 220235713 /nfs/dbraw/zinc/23/57/13/220235713.db2.gz HHRVFNLOUYOUID-CHWSQXEVSA-N 1 1 296.415 -0.345 20 70 CBIDMO C[N@H+](CC(=O)N1CCNC(=O)C1)C[C@H]1CCC[C@@H]1O ZINC000159815434 207389701 /nfs/dbraw/zinc/38/97/01/207389701.db2.gz TYHJLPIWCZYLMU-MNOVXSKESA-N 1 1 269.345 -0.962 20 70 CBIDMO CC(=O)N1CCN(C(=O)C[N@@H+](C)C[C@H]2CCC[C@@H]2O)CC1 ZINC000159485644 207391414 /nfs/dbraw/zinc/39/14/14/207391414.db2.gz GOYLAJUOPMHZSY-KGLIPLIRSA-N 1 1 297.399 -0.230 20 70 CBIDMO C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CCC[C@@H]1O ZINC000159536409 207391494 /nfs/dbraw/zinc/39/14/94/207391494.db2.gz GBEBRCZOVDJOPH-ZJUUUORDSA-N 1 1 250.364 -0.372 20 70 CBIDMO COC[C@H](O)CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160681053 544475082 /nfs/dbraw/zinc/47/50/82/544475082.db2.gz ADQFEZWICLXQAI-VXGBXAGGSA-N 1 1 271.361 -0.223 20 70 CBIDMO CCC[N@@H+](CC)CCNC(=O)Cn1cnc(N)n1 ZINC000217998123 419564091 /nfs/dbraw/zinc/56/40/91/419564091.db2.gz WSZLMOUXJYDPRP-UHFFFAOYSA-N 1 1 254.338 -0.292 20 70 CBIDMO CCOC(=O)C[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000160387602 520876335 /nfs/dbraw/zinc/87/63/35/520876335.db2.gz SWEUYEWTZQJGAL-UWVGGRQHSA-N 1 1 258.318 -0.225 20 70 CBIDMO CCOC(=O)C[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000160387602 520876344 /nfs/dbraw/zinc/87/63/44/520876344.db2.gz SWEUYEWTZQJGAL-UWVGGRQHSA-N 1 1 258.318 -0.225 20 70 CBIDMO