smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CC(=O)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173520939 375248192 /nfs/dbraw/zinc/24/81/92/375248192.db2.gz QGMXTMDTPAKIFQ-ZDUSSCGKSA-N 0 1 340.384 -1.142 20 5 EABDMN CN(C)CC(=O)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173520954 415317945 /nfs/dbraw/zinc/31/79/45/415317945.db2.gz QGMXTMDTPAKIFQ-CYBMUJFWSA-N 0 1 340.384 -1.142 20 5 EABDMN CCc1[nH]nc(C(=O)N2CCN(S(N)(=O)=O)CC2)c1[N+](=O)[O-] ZINC000266446696 374658437 /nfs/dbraw/zinc/65/84/37/374658437.db2.gz MZYPEDVQMGFAMN-UHFFFAOYSA-N 0 1 332.342 -1.158 20 5 EABDMN CN(CC(=O)N1CCOCC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266539892 265057018 /nfs/dbraw/zinc/05/70/18/265057018.db2.gz POWVXDFCJXDHCH-GFCCVEGCSA-N 0 1 327.341 -1.057 20 5 EABDMN CN(CC(=O)N1CCOCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266539897 265125405 /nfs/dbraw/zinc/12/54/05/265125405.db2.gz 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CQCLWNOAEPPLHX-NXEZZACHSA-N 0 1 342.352 -1.744 20 5 EABDMN Cc1nc[nH]c1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976475 673525026 /nfs/dbraw/zinc/52/50/26/673525026.db2.gz CQEKMKFFJFIGCX-MWLCHTKSSA-N 0 1 337.336 -1.385 20 5 EABDMN O=C(CCc1ncccn1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976485 673525080 /nfs/dbraw/zinc/52/50/80/673525080.db2.gz DFMBHYFNSKXDCX-GHMZBOCLSA-N 0 1 349.347 -1.236 20 5 EABDMN Cc1cc(CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)[nH]n1 ZINC001042976495 673524996 /nfs/dbraw/zinc/52/49/96/673524996.db2.gz DUUIUBJIKMESMJ-GHMZBOCLSA-N 0 1 337.336 -1.385 20 5 EABDMN O=C(NCC1CC1)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976504 673525010 /nfs/dbraw/zinc/52/50/10/673525010.db2.gz FDEICQJXSKOTHG-NXEZZACHSA-N 0 1 340.336 -2.133 20 5 EABDMN Cc1nnc(CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001042976512 673525573 /nfs/dbraw/zinc/52/55/73/673525573.db2.gz FNEXXJUPAXBIEY-RKDXNWHRSA-N 0 1 339.308 -1.725 20 5 EABDMN O=C(NCC1(O)CN(C(=O)c2cc[nH]c(=O)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042976514 673525425 /nfs/dbraw/zinc/52/54/25/673525425.db2.gz FQBMLSWGNWOQFH-NXEZZACHSA-N 0 1 336.304 -1.245 20 5 EABDMN Cn1ccc(CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001042976515 673525593 /nfs/dbraw/zinc/52/55/93/673525593.db2.gz FSEBNWJVYLNSEY-GHMZBOCLSA-N 0 1 337.336 -1.683 20 5 EABDMN Cn1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)[nH]c1=O ZINC001042976532 673525484 /nfs/dbraw/zinc/52/54/84/673525484.db2.gz HBBNQFCQONFSBV-VXNVDRBHSA-N 0 1 339.308 -1.906 20 5 EABDMN CC(=O)N1CC(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001042976533 673525510 /nfs/dbraw/zinc/52/55/10/673525510.db2.gz HBFDAAGQCUDABS-GHMZBOCLSA-N 0 1 340.336 -2.181 20 5 EABDMN O=C(CN1CN=NC1=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976549 673525329 /nfs/dbraw/zinc/52/53/29/673525329.db2.gz HXHYWXLMXMGVBN-HTQZYQBOSA-N 0 1 340.296 -2.662 20 5 EABDMN O=C(NCC1(O)CN(C(=O)C2CS(=O)(=O)C2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042976552 673525401 /nfs/dbraw/zinc/52/54/01/673525401.db2.gz ICTRHFLRRSGBPQ-RKDXNWHRSA-N 0 1 347.349 -2.614 20 5 EABDMN Cc1cn(C)nc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976567 673525599 /nfs/dbraw/zinc/52/55/99/673525599.db2.gz IUTAFFCOXJZELV-NXEZZACHSA-N 0 1 337.336 -1.303 20 5 EABDMN CNC(=O)CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976575 673525550 /nfs/dbraw/zinc/52/55/50/673525550.db2.gz JFXWOXIQUVCTRG-NXEZZACHSA-N 0 1 342.352 -1.743 20 5 EABDMN Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)ncn1 ZINC001042976579 673525543 /nfs/dbraw/zinc/52/55/43/673525543.db2.gz JJVXKVZEWMDKNK-MWLCHTKSSA-N 0 1 335.320 -1.247 20 5 EABDMN Cc1nonc1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976588 673525490 /nfs/dbraw/zinc/52/54/90/673525490.db2.gz JXKMUNUCCJUCBO-PSASIEDQSA-N 0 1 339.308 -1.725 20 5 EABDMN Cc1n[nH]c(C)c1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976603 673525306 /nfs/dbraw/zinc/52/53/06/673525306.db2.gz LCAZJKLLCXGUNU-NXEZZACHSA-N 0 1 337.336 -1.005 20 5 EABDMN O=C(CCc1ncc[nH]1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976611 673525504 /nfs/dbraw/zinc/52/55/04/673525504.db2.gz LJXRGEVVTPDASP-NXEZZACHSA-N 0 1 337.336 -1.303 20 5 EABDMN Cc1nnccc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976621 673525521 /nfs/dbraw/zinc/52/55/21/673525521.db2.gz LUNLANLGGBXWPI-GHMZBOCLSA-N 0 1 335.320 -1.247 20 5 EABDMN O=C(NCC1(O)CN(C(=O)c2ncccc2O)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042976622 673525560 /nfs/dbraw/zinc/52/55/60/673525560.db2.gz LVZDEGUUTSSYCJ-RKDXNWHRSA-N 0 1 336.304 -1.245 20 5 EABDMN COc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)on1 ZINC001042976627 673525568 /nfs/dbraw/zinc/52/55/68/673525568.db2.gz LYWWBOFYWJSTHR-HTQZYQBOSA-N 0 1 340.292 -1.349 20 5 EABDMN CCn1ccnc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976629 673525471 /nfs/dbraw/zinc/52/54/71/673525471.db2.gz MAEJOBLXSSJXSQ-NXEZZACHSA-N 0 1 337.336 -1.129 20 5 EABDMN NC(=O)C1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001042976638 673525501 /nfs/dbraw/zinc/52/55/01/673525501.db2.gz MIJPQVUTAMUEOS-HTQZYQBOSA-N 0 1 326.309 -2.393 20 5 EABDMN CNC(=O)NCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976648 673525441 /nfs/dbraw/zinc/52/54/41/673525441.db2.gz MZKCPVCZIOGKET-RKDXNWHRSA-N 0 1 343.340 -2.340 20 5 EABDMN Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001042976666 673525451 /nfs/dbraw/zinc/52/54/51/673525451.db2.gz NPGFUTGBPAIPOW-MWLCHTKSSA-N 0 1 335.320 -1.247 20 5 EABDMN O=C(Cc1cncnc1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976676 673525347 /nfs/dbraw/zinc/52/53/47/673525347.db2.gz OBNJQZWAKATSMC-GHMZBOCLSA-N 0 1 335.320 -1.626 20 5 EABDMN CNC(=O)C1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001042976686 673525327 /nfs/dbraw/zinc/52/53/27/673525327.db2.gz ORUQLZIANJXHOR-RKDXNWHRSA-N 0 1 340.336 -2.133 20 5 EABDMN Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cnn1 ZINC001042976691 673525315 /nfs/dbraw/zinc/52/53/15/673525315.db2.gz OVNZOPJEBUUKQF-GHMZBOCLSA-N 0 1 335.320 -1.247 20 5 EABDMN Cc1ccnc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001042976694 673525523 /nfs/dbraw/zinc/52/55/23/673525523.db2.gz OZPDJGDAQGEJLN-NXEZZACHSA-N 0 1 335.320 -1.247 20 5 EABDMN CCn1nccc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976697 673525387 /nfs/dbraw/zinc/52/53/87/673525387.db2.gz PBAXKEQHCUYVFQ-MWLCHTKSSA-N 0 1 337.336 -1.129 20 5 EABDMN O=C(Cn1ncnn1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976705 673525494 /nfs/dbraw/zinc/52/54/94/673525494.db2.gz PHOWGJGDXLDBTQ-HTQZYQBOSA-N 0 1 325.285 -2.972 20 5 EABDMN O=C(NCC1(O)CN(C(=O)c2c[nH]c(=O)cn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042976712 673525360 /nfs/dbraw/zinc/52/53/60/673525360.db2.gz PUYKHQAQIGNLLU-VXNVDRBHSA-N 0 1 337.292 -2.262 20 5 EABDMN O=C(CCc1cnccn1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976720 673525337 /nfs/dbraw/zinc/52/53/37/673525337.db2.gz QLYIQSQFGTUDPF-VXGBXAGGSA-N 0 1 349.347 -1.236 20 5 EABDMN CCn1nncc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976731 673525498 /nfs/dbraw/zinc/52/54/98/673525498.db2.gz QYZHTCWXYNBJCC-RKDXNWHRSA-N 0 1 338.324 -1.734 20 5 EABDMN O=C(CCn1cnnn1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976734 673525341 /nfs/dbraw/zinc/52/53/41/673525341.db2.gz RDVPVFMLYZJFRM-RKDXNWHRSA-N 0 1 339.312 -2.582 20 5 EABDMN Cn1nccc1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976748 673525363 /nfs/dbraw/zinc/52/53/63/673525363.db2.gz RZKALOOJIAHLFD-GHMZBOCLSA-N 0 1 337.336 -1.683 20 5 EABDMN NC(=O)NC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001042976751 673525581 /nfs/dbraw/zinc/52/55/81/673525581.db2.gz SAKNSKQBDYXVDN-HTQZYQBOSA-N 0 1 341.324 -2.458 20 5 EABDMN O=C(CC1OCCCO1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976760 673525412 /nfs/dbraw/zinc/52/54/12/673525412.db2.gz SHVZOYOQSVAFAR-NXEZZACHSA-N 0 1 343.336 -1.506 20 5 EABDMN O=C(CN1CCOCC1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976765 673525430 /nfs/dbraw/zinc/52/54/30/673525430.db2.gz SOHLALTYIJJVMW-GHMZBOCLSA-N 0 1 342.352 -2.327 20 5 EABDMN Cc1nnc(CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)[nH]1 ZINC001042976768 673525378 /nfs/dbraw/zinc/52/53/78/673525378.db2.gz SSJWMXPUNXZYGO-RKDXNWHRSA-N 0 1 338.324 -1.990 20 5 EABDMN Cn1ncc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1N ZINC001042976771 673525535 /nfs/dbraw/zinc/52/55/35/673525535.db2.gz STZNCCDSBSKXQN-VXNVDRBHSA-N 0 1 338.324 -2.029 20 5 EABDMN Cn1cncc1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976791 673525478 /nfs/dbraw/zinc/52/54/78/673525478.db2.gz UNRXWFIDNFIXIW-GHMZBOCLSA-N 0 1 337.336 -1.683 20 5 EABDMN O=C(Cc1cccnc1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976798 673525584 /nfs/dbraw/zinc/52/55/84/673525584.db2.gz UTOZRRDCFGLYPF-VXGBXAGGSA-N 0 1 334.332 -1.021 20 5 EABDMN O=C(CCn1ccnn1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976803 673525447 /nfs/dbraw/zinc/52/54/47/673525447.db2.gz UWIMTKJUNBFNRK-NXEZZACHSA-N 0 1 338.324 -1.977 20 5 EABDMN CCNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976820 673525462 /nfs/dbraw/zinc/52/54/62/673525462.db2.gz VRTNWXJQJOOKFG-RKDXNWHRSA-N 0 1 328.325 -2.133 20 5 EABDMN O=C(NCC1(O)CN(C(=O)C2CCOCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042976839 673525474 /nfs/dbraw/zinc/52/54/74/673525474.db2.gz WSXCAUKTVYPSSY-GHMZBOCLSA-N 0 1 327.337 -1.232 20 5 EABDMN CCc1nc[nH]c1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976848 673525322 /nfs/dbraw/zinc/52/53/22/673525322.db2.gz XCWHBVOKDDSJJX-PSASIEDQSA-N 0 1 337.336 -1.060 20 5 EABDMN O=C(CCc1nc[nH]n1)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001042976862 673525331 /nfs/dbraw/zinc/52/53/31/673525331.db2.gz XUYPGQLJXCXFDB-RKDXNWHRSA-N 0 1 338.324 -1.908 20 5 EABDMN O=C(CC1(O)CCC1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042976878 673525436 /nfs/dbraw/zinc/52/54/36/673525436.db2.gz YHSOHKGXJWKUJC-NXEZZACHSA-N 0 1 327.337 -1.354 20 5 EABDMN O=C(NCC1(O)CN(C(=O)c2cnn3cc[nH]c23)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042976880 673525453 /nfs/dbraw/zinc/52/54/53/673525453.db2.gz YJFCNXAMORCOJI-PSASIEDQSA-N 0 1 348.319 -1.369 20 5 EABDMN CCn1cnc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001042976899 673525294 /nfs/dbraw/zinc/52/52/94/673525294.db2.gz YYZWZDAWJRCQDB-MWLCHTKSSA-N 0 1 337.336 -1.129 20 5 EABDMN CCn1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001042976913 673525383 /nfs/dbraw/zinc/52/53/83/673525383.db2.gz ZPCVPJNBHGJIHR-PSASIEDQSA-N 0 1 338.324 -1.734 20 5 EABDMN COCC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001042977633 673525406 /nfs/dbraw/zinc/52/54/06/673525406.db2.gz AKXACSZSABTAQF-NXEZZACHSA-N 0 1 327.337 -1.232 20 5 EABDMN O=C(NCC1(O)CN(C(=O)c2cn[nH]c(=O)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042977677 673525983 /nfs/dbraw/zinc/52/59/83/673525983.db2.gz BMGPRODTRGQNSU-RKDXNWHRSA-N 0 1 337.292 -1.850 20 5 EABDMN O=C(CCc1ccon1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042977840 673525920 /nfs/dbraw/zinc/52/59/20/673525920.db2.gz DAOSSFPYRVKSOR-GHMZBOCLSA-N 0 1 338.320 -1.038 20 5 EABDMN NC(=O)CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042977860 673525793 /nfs/dbraw/zinc/52/57/93/673525793.db2.gz DFFTUVUCPIWLSG-NXEZZACHSA-N 0 1 342.352 -1.613 20 5 EABDMN O=C(NCC1(O)CN(C(=O)c2n[nH]cc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042977946 673525863 /nfs/dbraw/zinc/52/58/63/673525863.db2.gz FUBMPECANPEGNF-HTRCEHHLSA-N 0 1 327.272 -1.483 20 5 EABDMN O=C(CCc1ccncn1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042978011 673525935 /nfs/dbraw/zinc/52/59/35/673525935.db2.gz GHYAFNYLLSBWGO-VXGBXAGGSA-N 0 1 349.347 -1.236 20 5 EABDMN O=C(COCC(F)F)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042978035 673525986 /nfs/dbraw/zinc/52/59/86/673525986.db2.gz GWWRGXVAYNBYMC-HTQZYQBOSA-N 0 1 337.279 -1.377 20 5 EABDMN Cc1ncn(C)c1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042978254 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/nfs/dbraw/zinc/67/88/13/672678813.db2.gz SKIGCXBJUULFAN-VXGBXAGGSA-N 0 1 339.352 -1.435 20 5 EABDMN O=C(CCc1ncc[nH]1)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057457846 672680300 /nfs/dbraw/zinc/68/03/00/672680300.db2.gz GAKNRMNIVOCQCC-GHMZBOCLSA-N 0 1 339.352 -1.055 20 5 EABDMN Cn1nncc1C(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057473578 672686428 /nfs/dbraw/zinc/68/64/28/672686428.db2.gz YHSFUBXHQHZREE-RKDXNWHRSA-N 0 1 326.313 -1.969 20 5 EABDMN Cn1cc(C(=O)N(CCO)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001057493972 672697878 /nfs/dbraw/zinc/69/78/78/672697878.db2.gz JCODLZGKETYZML-PSASIEDQSA-N 0 1 326.313 -1.969 20 5 EABDMN Cc1nnc(CC(=O)N(CCO)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001057495930 672699597 /nfs/dbraw/zinc/69/95/97/672699597.db2.gz WZMAUJKSFQMGCN-NXEZZACHSA-N 0 1 341.324 -1.477 20 5 EABDMN Cn1cnc(C(=O)N(CCO)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001057496718 672700961 /nfs/dbraw/zinc/70/09/61/672700961.db2.gz YIERLZBCIATUIV-RKDXNWHRSA-N 0 1 326.313 -1.969 20 5 EABDMN CNC(=O)NCCC(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057498758 672703300 /nfs/dbraw/zinc/70/33/00/672703300.db2.gz JAGMMGIUWQHQNW-NXEZZACHSA-N 0 1 345.356 -2.092 20 5 EABDMN CCn1ncc(C(=O)N(CCO)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001057501357 672705489 /nfs/dbraw/zinc/70/54/89/672705489.db2.gz LPXDKCQGYCYIMY-MWLCHTKSSA-N 0 1 340.340 -1.486 20 5 EABDMN CCn1nncc1C(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057505905 672706424 /nfs/dbraw/zinc/70/64/24/672706424.db2.gz BWDVGPXKXPRXRG-NXEZZACHSA-N 0 1 340.340 -1.486 20 5 EABDMN O=C(CC1(O)CCC1)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057527316 672709448 /nfs/dbraw/zinc/70/94/48/672709448.db2.gz FEJWLHGSSGSNOB-GHMZBOCLSA-N 0 1 329.353 -1.106 20 5 EABDMN Cc1c[nH]nc1C(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057528969 672709997 /nfs/dbraw/zinc/70/99/97/672709997.db2.gz JRTQYWMAOAECEU-NXEZZACHSA-N 0 1 325.325 -1.066 20 5 EABDMN Cc1nnc(CC(=O)N(CCO)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])[nH]1 ZINC001057540895 672713124 /nfs/dbraw/zinc/71/31/24/672713124.db2.gz JUVDRQSCSQXZDU-NXEZZACHSA-N 0 1 340.340 -1.742 20 5 EABDMN CNC(=O)C1(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001057543265 672714200 /nfs/dbraw/zinc/71/42/00/672714200.db2.gz ABKMQPXYEFDJSZ-NXEZZACHSA-N 0 1 342.352 -1.885 20 5 EABDMN COCCOCC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543282 672714280 /nfs/dbraw/zinc/71/42/80/672714280.db2.gz ATECXKJYGWEQQY-GHMZBOCLSA-N 0 1 333.341 -1.748 20 5 EABDMN O=C(CCn1cccn1)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543285 672714125 /nfs/dbraw/zinc/71/41/25/672714125.db2.gz AXOLJJIWBQBLKM-VXGBXAGGSA-N 0 1 339.352 -1.125 20 5 EABDMN Cc1c(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])cnn1C ZINC001057543293 672713997 /nfs/dbraw/zinc/71/39/97/672713997.db2.gz BGSZFIHJJJUXRR-ZYHUDNBSSA-N 0 1 339.352 -1.056 20 5 EABDMN Cc1nc(CC(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n[nH]1 ZINC001057543297 672714017 /nfs/dbraw/zinc/71/40/17/672714017.db2.gz BLSLHEBLGUWEED-NXEZZACHSA-N 0 1 340.340 -1.742 20 5 EABDMN Cc1nnc(CC(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])[nH]1 ZINC001057543297 672714014 /nfs/dbraw/zinc/71/40/14/672714014.db2.gz BLSLHEBLGUWEED-NXEZZACHSA-N 0 1 340.340 -1.742 20 5 EABDMN O=C(CCn1cncn1)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543302 672714190 /nfs/dbraw/zinc/71/41/90/672714190.db2.gz BRSQPHDYNIVVAS-GHMZBOCLSA-N 0 1 340.340 -1.730 20 5 EABDMN COc1cc(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC001057543303 672714223 /nfs/dbraw/zinc/71/42/23/672714223.db2.gz BSSDCVLHJLABQQ-RKDXNWHRSA-N 0 1 342.308 -1.101 20 5 EABDMN Cn1cncc1CC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543308 672714371 /nfs/dbraw/zinc/71/43/71/672714371.db2.gz BWNVKHITMJMLOA-VXGBXAGGSA-N 0 1 339.352 -1.435 20 5 EABDMN O=C(NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-])c1cc[n+]([O-])cc1 ZINC001057543332 672714111 /nfs/dbraw/zinc/71/41/11/672714111.db2.gz CRXJKIMNLZOPDT-VXGBXAGGSA-N 0 1 338.320 -1.464 20 5 EABDMN Cc1cc(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])nn1C ZINC001057543361 672714003 /nfs/dbraw/zinc/71/40/03/672714003.db2.gz FJJRUMHXALRHEX-ZYHUDNBSSA-N 0 1 339.352 -1.056 20 5 EABDMN Cn1cc(CC(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001057543375 672714213 /nfs/dbraw/zinc/71/42/13/672714213.db2.gz FQSASKOATBNXRD-VXGBXAGGSA-N 0 1 339.352 -1.435 20 5 EABDMN CCNC(=O)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543384 672714025 /nfs/dbraw/zinc/71/40/25/672714025.db2.gz GCIRZERKXABHTP-GHMZBOCLSA-N 0 1 344.368 -1.495 20 5 EABDMN Cn1cc(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001057543389 672714039 /nfs/dbraw/zinc/71/40/39/672714039.db2.gz GJXZZJNBBVXFPO-PSASIEDQSA-N 0 1 326.313 -1.969 20 5 EABDMN O=C(NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-])c1cnns1 ZINC001057543402 672714151 /nfs/dbraw/zinc/71/41/51/672714151.db2.gz GVYGJRDVDHBKKK-HTQZYQBOSA-N 0 1 329.338 -1.246 20 5 EABDMN Cn1cc(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001057543410 672714324 /nfs/dbraw/zinc/71/43/24/672714324.db2.gz HGGALOSZZLTQIL-GHMZBOCLSA-N 0 1 325.325 -1.364 20 5 EABDMN O=C(Cc1ccon1)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543414 672714183 /nfs/dbraw/zinc/71/41/83/672714183.db2.gz HOYQJNSGGCCEAU-GHMZBOCLSA-N 0 1 326.309 -1.181 20 5 EABDMN O=C(CN1CN=NC1=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543421 672714168 /nfs/dbraw/zinc/71/41/68/672714168.db2.gz IAGGEVXFPCZKMA-RKDXNWHRSA-N 0 1 342.312 -2.414 20 5 EABDMN CC(=O)NC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543426 672714101 /nfs/dbraw/zinc/71/41/01/672714101.db2.gz IFRNPXIETFOSCC-GHMZBOCLSA-N 0 1 344.368 -1.497 20 5 EABDMN CCNC(=O)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543430 672714235 /nfs/dbraw/zinc/71/42/35/672714235.db2.gz ILQMVPSQYGJROG-NXEZZACHSA-N 0 1 330.341 -1.885 20 5 EABDMN O=C(CCc1ncc[nH]1)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543441 672714136 /nfs/dbraw/zinc/71/41/36/672714136.db2.gz JAYIANYLMZBPMX-GHMZBOCLSA-N 0 1 339.352 -1.055 20 5 EABDMN O=C(CC1(O)CCC1)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543467 672714351 /nfs/dbraw/zinc/71/43/51/672714351.db2.gz KCJFGWSBOZBHGK-GHMZBOCLSA-N 0 1 329.353 -1.106 20 5 EABDMN Cc1cnn(CC(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001057543482 672714145 /nfs/dbraw/zinc/71/41/45/672714145.db2.gz KQAOQKXMSIZMNA-VXGBXAGGSA-N 0 1 339.352 -1.206 20 5 EABDMN O=C(NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-])c1cnsn1 ZINC001057543501 672714095 /nfs/dbraw/zinc/71/40/95/672714095.db2.gz LFFNMZDWEIXTLH-VXNVDRBHSA-N 0 1 329.338 -1.246 20 5 EABDMN CCC(=O)NCC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543503 672714118 /nfs/dbraw/zinc/71/41/18/672714118.db2.gz LLPZUMHWQKUQEP-NXEZZACHSA-N 0 1 330.341 -1.885 20 5 EABDMN O=C(NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-])C1=COCCO1 ZINC001057543523 672714055 /nfs/dbraw/zinc/71/40/55/672714055.db2.gz MIMMGEZRSUHEIL-NXEZZACHSA-N 0 1 329.309 -1.523 20 5 EABDMN Cc1cn(C)nc1C(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543547 672714068 /nfs/dbraw/zinc/71/40/68/672714068.db2.gz NSFAFHOYWOBIMD-GHMZBOCLSA-N 0 1 339.352 -1.056 20 5 EABDMN CNC(=O)NCCC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543551 672714081 /nfs/dbraw/zinc/71/40/81/672714081.db2.gz NZHGXOUUCIDBHF-NXEZZACHSA-N 0 1 345.356 -2.092 20 5 EABDMN O=C(CCc1nc[nH]n1)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001057543558 672714334 /nfs/dbraw/zinc/71/43/34/672714334.db2.gz OHHOWYWTRFUTLX-NXEZZACHSA-N 0 1 340.340 -1.660 20 5 EABDMN O=C(Cc1cc[nH]n1)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543598 672714173 /nfs/dbraw/zinc/71/41/73/672714173.db2.gz OUMIASGBSYIQGJ-GHMZBOCLSA-N 0 1 325.325 -1.446 20 5 EABDMN Cc1nnc(CC(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001057543603 672714245 /nfs/dbraw/zinc/71/42/45/672714245.db2.gz PBVHSXHZIPITJW-NXEZZACHSA-N 0 1 341.324 -1.477 20 5 EABDMN O=C(CN1CCOCC1)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543606 672714729 /nfs/dbraw/zinc/71/47/29/672714729.db2.gz PKPJKBVVESNEMV-VXGBXAGGSA-N 0 1 344.368 -2.079 20 5 EABDMN Nc1nccnc1C(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543609 672714876 /nfs/dbraw/zinc/71/48/76/672714876.db2.gz PTSUGRWPPISKDY-RKDXNWHRSA-N 0 1 338.324 -1.725 20 5 EABDMN O=C(CC1OCCCO1)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543619 672715013 /nfs/dbraw/zinc/71/50/13/672715013.db2.gz PZTYMMXNLWMKPN-GHMZBOCLSA-N 0 1 345.352 -1.258 20 5 EABDMN Cc1cc(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])n(C)n1 ZINC001057543623 672714907 /nfs/dbraw/zinc/71/49/07/672714907.db2.gz QBQSMLYGSOCPOS-GHMZBOCLSA-N 0 1 339.352 -1.056 20 5 EABDMN Cn1cnc(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001057543632 672714835 /nfs/dbraw/zinc/71/48/35/672714835.db2.gz QOFCHJBNVRMUHG-RKDXNWHRSA-N 0 1 326.313 -1.969 20 5 EABDMN Cn1cnc(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001057543634 672714895 /nfs/dbraw/zinc/71/48/95/672714895.db2.gz QROKUDFMFINCRX-MWLCHTKSSA-N 0 1 325.325 -1.364 20 5 EABDMN CCCC(=O)NCC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543636 672714725 /nfs/dbraw/zinc/71/47/25/672714725.db2.gz QUHRMVLNTQTWFQ-GHMZBOCLSA-N 0 1 344.368 -1.495 20 5 EABDMN O=C(CN1CCCC1=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543641 672714664 /nfs/dbraw/zinc/71/46/64/672714664.db2.gz QYXDDXRESBEUIW-GHMZBOCLSA-N 0 1 342.352 -1.789 20 5 EABDMN O=C(Cn1cnnn1)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543644 672714991 /nfs/dbraw/zinc/71/49/91/672714991.db2.gz RBRKJCJXSOHKGX-RKDXNWHRSA-N 0 1 327.301 -2.725 20 5 EABDMN Cn1nccc1CC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543646 672714846 /nfs/dbraw/zinc/71/48/46/672714846.db2.gz RDOKUMKPPGIWRO-VXGBXAGGSA-N 0 1 339.352 -1.435 20 5 EABDMN NC(=O)NC1(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001057543647 672714690 /nfs/dbraw/zinc/71/46/90/672714690.db2.gz RHXPNLDSISQFLE-RKDXNWHRSA-N 0 1 343.340 -2.210 20 5 EABDMN Cc1c(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])nnn1C ZINC001057543658 672714686 /nfs/dbraw/zinc/71/46/86/672714686.db2.gz RRPBOQJQPGGMAU-NXEZZACHSA-N 0 1 340.340 -1.661 20 5 EABDMN CNC(=O)CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543665 672714942 /nfs/dbraw/zinc/71/49/42/672714942.db2.gz RUFQXWLBIONVDW-GHMZBOCLSA-N 0 1 344.368 -1.495 20 5 EABDMN COC(=O)NCC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543679 672714783 /nfs/dbraw/zinc/71/47/83/672714783.db2.gz SGSSPKRSTHRMOK-RKDXNWHRSA-N 0 1 332.313 -2.055 20 5 EABDMN CCn1nncc1C(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543683 672714699 /nfs/dbraw/zinc/71/46/99/672714699.db2.gz SPXJXBFGKRAGNZ-NXEZZACHSA-N 0 1 340.340 -1.486 20 5 EABDMN O=C(NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(=O)[nH]n1 ZINC001057543685 672714649 /nfs/dbraw/zinc/71/46/49/672714649.db2.gz STJRPDXZKFTNAD-PSASIEDQSA-N 0 1 339.308 -1.602 20 5 EABDMN Cc1cc(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])[nH]n1 ZINC001057543690 672714719 /nfs/dbraw/zinc/71/47/19/672714719.db2.gz SYTFEQZRCQDGTD-MWLCHTKSSA-N 0 1 325.325 -1.066 20 5 EABDMN O=C(Cn1cccn1)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543694 672714960 /nfs/dbraw/zinc/71/49/60/672714960.db2.gz TYZFVJIHDIRTOD-GHMZBOCLSA-N 0 1 325.325 -1.515 20 5 EABDMN O=C(CCn1ccnn1)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543696 672714917 /nfs/dbraw/zinc/71/49/17/672714917.db2.gz UEQYRTJZTCDMDT-GHMZBOCLSA-N 0 1 340.340 -1.730 20 5 EABDMN CC(=O)N(C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543703 672714789 /nfs/dbraw/zinc/71/47/89/672714789.db2.gz UKOSLZPYXPGYNC-GHMZBOCLSA-N 0 1 330.341 -1.933 20 5 EABDMN Cn1ncc(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])c1N ZINC001057543720 672714971 /nfs/dbraw/zinc/71/49/71/672714971.db2.gz UYGYNBOKOFFVLF-PSASIEDQSA-N 0 1 340.340 -1.782 20 5 EABDMN Cn1nccc1C(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543724 672714796 /nfs/dbraw/zinc/71/47/96/672714796.db2.gz VCXZDCFWJZAPDA-MWLCHTKSSA-N 0 1 325.325 -1.364 20 5 EABDMN Cn1ccc(CC(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001057543752 672714708 /nfs/dbraw/zinc/71/47/08/672714708.db2.gz WJLWDXZLMLECJM-VXGBXAGGSA-N 0 1 339.352 -1.435 20 5 EABDMN O=C(CNC(=O)C1CC1)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543755 672714886 /nfs/dbraw/zinc/71/48/86/672714886.db2.gz WKTVFRQWSOTQKD-GHMZBOCLSA-N 0 1 342.352 -1.885 20 5 EABDMN Cc1c[nH]nc1C(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543757 672715025 /nfs/dbraw/zinc/71/50/25/672715025.db2.gz WNBQLTILXSZYQH-NXEZZACHSA-N 0 1 325.325 -1.066 20 5 EABDMN CCn1ncc(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001057543758 672714774 /nfs/dbraw/zinc/71/47/74/672714774.db2.gz WQFGNSWXUXCRMS-MWLCHTKSSA-N 0 1 340.340 -1.486 20 5 EABDMN Cc1cc(CC(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])n[nH]1 ZINC001057543776 672714750 /nfs/dbraw/zinc/71/47/50/672714750.db2.gz XIFDZFZFEOWTFC-VXGBXAGGSA-N 0 1 339.352 -1.137 20 5 EABDMN Cc1cc(CC(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH]n1 ZINC001057543776 672714747 /nfs/dbraw/zinc/71/47/47/672714747.db2.gz XIFDZFZFEOWTFC-VXGBXAGGSA-N 0 1 339.352 -1.137 20 5 EABDMN O=C(Cc1cncnc1)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543779 672714668 /nfs/dbraw/zinc/71/46/68/672714668.db2.gz XPAXBUDZSQLRGP-VXGBXAGGSA-N 0 1 337.336 -1.379 20 5 EABDMN Cn1ncc(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001057543780 672714768 /nfs/dbraw/zinc/71/47/68/672714768.db2.gz XPBSEHBIWNBIFD-PSASIEDQSA-N 0 1 326.313 -1.969 20 5 EABDMN Cc1nn(C)cc1C(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543783 672714980 /nfs/dbraw/zinc/71/49/80/672714980.db2.gz XRDWWNQBPNQEHF-ZYHUDNBSSA-N 0 1 339.352 -1.056 20 5 EABDMN CS(=O)(=O)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543789 672714704 /nfs/dbraw/zinc/71/47/04/672714704.db2.gz XZRUZFXZLRSVHI-RKDXNWHRSA-N 0 1 337.354 -2.367 20 5 EABDMN Cn1nncc1C(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057543811 672714826 /nfs/dbraw/zinc/71/48/26/672714826.db2.gz YPMLOVZRTKLWEW-RKDXNWHRSA-N 0 1 326.313 -1.969 20 5 EABDMN O=C(NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-])C1=CCOCC1 ZINC001057543813 672714868 /nfs/dbraw/zinc/71/48/68/672714868.db2.gz YQAPCSNYHVEKKO-VXGBXAGGSA-N 0 1 327.337 -1.065 20 5 EABDMN CC(=O)N1CC(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001057543821 672715002 /nfs/dbraw/zinc/71/50/02/672715002.db2.gz ZBDWPBRTGGJJBQ-VXGBXAGGSA-N 0 1 342.352 -1.933 20 5 EABDMN Cc1ncc(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])[nH]1 ZINC001057543822 672714855 /nfs/dbraw/zinc/71/48/55/672714855.db2.gz ZFTBYOVXGFMBGI-MWLCHTKSSA-N 0 1 325.325 -1.066 20 5 EABDMN Cn1oc(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1=O ZINC001057543844 672715054 /nfs/dbraw/zinc/71/50/54/672715054.db2.gz ZYVGHFCMGDXLAV-RKDXNWHRSA-N 0 1 342.308 -1.806 20 5 EABDMN O=C(NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-])C1CS(=O)(=O)C1 ZINC001057544361 672714952 /nfs/dbraw/zinc/71/49/52/672714952.db2.gz AJBNHYYUMPYZJY-NXEZZACHSA-N 0 1 349.365 -2.367 20 5 EABDMN O=C(COCC(F)F)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057544372 672715105 /nfs/dbraw/zinc/71/51/05/672715105.db2.gz ATHQDKMRODBSLG-RKDXNWHRSA-N 0 1 339.295 -1.130 20 5 EABDMN Cc1nc[nH]c1C(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057544376 672715039 /nfs/dbraw/zinc/71/50/39/672715039.db2.gz AWRRRRSXDBSLPZ-NXEZZACHSA-N 0 1 325.325 -1.066 20 5 EABDMN NC(=O)CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057544391 672714740 /nfs/dbraw/zinc/71/47/40/672714740.db2.gz BFHDRPHPMRLXKS-NXEZZACHSA-N 0 1 330.341 -1.756 20 5 EABDMN O=C(CCc1cnc[nH]1)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001057544417 672714713 /nfs/dbraw/zinc/71/47/13/672714713.db2.gz CDGSZFUHUTYPKM-VXGBXAGGSA-N 0 1 339.352 -1.055 20 5 EABDMN Cn1cc(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])[nH]c1=O ZINC001057544444 672714672 /nfs/dbraw/zinc/71/46/72/672714672.db2.gz CNFNGPWZKJQPQX-PSASIEDQSA-N 0 1 341.324 -1.658 20 5 EABDMN O=C(Cc1cnoc1)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057544448 672714811 /nfs/dbraw/zinc/71/48/11/672714811.db2.gz CPNMSOIJCWITEI-GHMZBOCLSA-N 0 1 326.309 -1.181 20 5 EABDMN Cc1nonc1CC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057544452 672714722 /nfs/dbraw/zinc/71/47/22/672714722.db2.gz CWIZKIXHSXXKJQ-MWLCHTKSSA-N 0 1 341.324 -1.477 20 5 EABDMN Cc1cnn(C)c1C(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057544466 672714802 /nfs/dbraw/zinc/71/48/02/672714802.db2.gz DLGRKEVKDHDMSH-GHMZBOCLSA-N 0 1 339.352 -1.056 20 5 EABDMN O=C(NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-])c1csnn1 ZINC001057544485 672715064 /nfs/dbraw/zinc/71/50/64/672715064.db2.gz DUHINDLQEWVJNT-VXNVDRBHSA-N 0 1 329.338 -1.246 20 5 EABDMN CCOCCOCC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057544508 672714657 /nfs/dbraw/zinc/71/46/57/672714657.db2.gz FXDLGLFAHTXBMM-VXGBXAGGSA-N 0 1 347.368 -1.358 20 5 EABDMN NC(=O)C1(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001057544544 672714696 /nfs/dbraw/zinc/71/46/96/672714696.db2.gz HEOYCQLEIDDKGM-RKDXNWHRSA-N 0 1 328.325 -2.146 20 5 EABDMN Cn1nnc(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001057544556 672714758 /nfs/dbraw/zinc/71/47/58/672714758.db2.gz HSEWHRYWSUIJQW-HTQZYQBOSA-N 0 1 327.301 -2.574 20 5 EABDMN Cn1c(=O)[nH]cc1C(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057544557 672714735 /nfs/dbraw/zinc/71/47/35/672714735.db2.gz HSOJQNDHQMHDOF-RKDXNWHRSA-N 0 1 341.324 -1.658 20 5 EABDMN CCn1cc(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001057544565 672715358 /nfs/dbraw/zinc/71/53/58/672715358.db2.gz IITGMNHOLUJIFK-MWLCHTKSSA-N 0 1 340.340 -1.486 20 5 EABDMN NC(=O)CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057544570 672715596 /nfs/dbraw/zinc/71/55/96/672715596.db2.gz IMTSDIZXSXFCBZ-GHMZBOCLSA-N 0 1 344.368 -1.366 20 5 EABDMN Cc1nc[nH]c1CC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057544649 672715341 /nfs/dbraw/zinc/71/53/41/672715341.db2.gz KZIXYWYZYQOVEU-ZYHUDNBSSA-N 0 1 339.352 -1.137 20 5 EABDMN O=C(NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-])c1c[nH]c(=O)cn1 ZINC001057544799 672715558 /nfs/dbraw/zinc/71/55/58/672715558.db2.gz KZRDBNWTJNRUOU-PSASIEDQSA-N 0 1 339.308 -2.014 20 5 EABDMN O=C(Cc1ncc[nH]1)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057544804 672715471 /nfs/dbraw/zinc/71/54/71/672715471.db2.gz LECFCHJWCLTPJL-NXEZZACHSA-N 0 1 325.325 -1.446 20 5 EABDMN Cc1ncc(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])n1C ZINC001057544807 672715444 /nfs/dbraw/zinc/71/54/44/672715444.db2.gz LPRJQBQHPZKSRE-GHMZBOCLSA-N 0 1 339.352 -1.056 20 5 EABDMN COc1nc(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])co1 ZINC001057544868 672715655 /nfs/dbraw/zinc/71/56/55/672715655.db2.gz OVCFPYGHSXABOU-PSASIEDQSA-N 0 1 342.308 -1.101 20 5 EABDMN Cc1nn[nH]c1C(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057544878 672715276 /nfs/dbraw/zinc/71/52/76/672715276.db2.gz PIXSYBFMFBDSQJ-RKDXNWHRSA-N 0 1 326.313 -1.671 20 5 EABDMN CNC(=O)NCC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057544880 672715497 /nfs/dbraw/zinc/71/54/97/672715497.db2.gz PLCQLOOMNXXCNM-RKDXNWHRSA-N 0 1 331.329 -2.482 20 5 EABDMN O=C(NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NCC1CC1 ZINC001057545002 672715420 /nfs/dbraw/zinc/71/54/20/672715420.db2.gz QRXQMTNWKOWJQF-GHMZBOCLSA-N 0 1 342.352 -1.885 20 5 EABDMN O=C(Cn1ccnc1)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057545019 672715680 /nfs/dbraw/zinc/71/56/80/672715680.db2.gz RKROMQZMYDTHLL-GHMZBOCLSA-N 0 1 325.325 -1.515 20 5 EABDMN O=C(Cn1nccn1)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057545023 672715550 /nfs/dbraw/zinc/71/55/50/672715550.db2.gz RMXKOAVYJTWHDK-NXEZZACHSA-N 0 1 326.313 -2.120 20 5 EABDMN O=C(CCn1ccnc1)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057545025 672715391 /nfs/dbraw/zinc/71/53/91/672715391.db2.gz RNPNUECLWQBRBH-VXGBXAGGSA-N 0 1 339.352 -1.125 20 5 EABDMN Cc1n[nH]cc1C(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057545050 672715308 /nfs/dbraw/zinc/71/53/08/672715308.db2.gz SVTRXXPXZQEWJC-MWLCHTKSSA-N 0 1 325.325 -1.066 20 5 EABDMN COCCCOCC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057545057 672715685 /nfs/dbraw/zinc/71/56/85/672715685.db2.gz TWAAUBKWCYNKQZ-VXGBXAGGSA-N 0 1 347.368 -1.358 20 5 EABDMN O=C(CCn1cnnn1)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057545087 672715332 /nfs/dbraw/zinc/71/53/32/672715332.db2.gz VGLMCKUFKFFKBO-NXEZZACHSA-N 0 1 341.328 -2.335 20 5 EABDMN Cc1nonc1C(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057545156 672715531 /nfs/dbraw/zinc/71/55/31/672715531.db2.gz VUMBWDOHHNPDFW-RKDXNWHRSA-N 0 1 327.297 -1.406 20 5 EABDMN O=C(Cn1ncnn1)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057545210 672715570 /nfs/dbraw/zinc/71/55/70/672715570.db2.gz WOWBJINQWLXYFB-RKDXNWHRSA-N 0 1 327.301 -2.725 20 5 EABDMN O=C(NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1[C@@H]2COC[C@@H]21 ZINC001057545239 672715629 /nfs/dbraw/zinc/71/56/29/672715629.db2.gz XJBIIMAVBMKZQQ-ZIQFBCGOSA-N 0 1 327.337 -1.519 20 5 EABDMN COCCOCCC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057545280 672715643 /nfs/dbraw/zinc/71/56/43/672715643.db2.gz ZFEHNBVSSCBBEK-VXGBXAGGSA-N 0 1 347.368 -1.358 20 5 EABDMN Cc1ncn(C)c1C(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057545510 672715613 /nfs/dbraw/zinc/71/56/13/672715613.db2.gz BRPSRTHGFQQRDM-GHMZBOCLSA-N 0 1 339.352 -1.056 20 5 EABDMN Cc1cn(C)nc1C(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057545676 672715479 /nfs/dbraw/zinc/71/54/79/672715479.db2.gz KJORRRMCPSZCHR-GHMZBOCLSA-N 0 1 339.352 -1.056 20 5 EABDMN O=C(Cn1cncn1)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057545693 672715525 /nfs/dbraw/zinc/71/55/25/672715525.db2.gz KVXXSRNOLQKSMA-NXEZZACHSA-N 0 1 326.313 -2.120 20 5 EABDMN O=C(CCc1c[nH]nn1)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001057545752 672715516 /nfs/dbraw/zinc/71/55/16/672715516.db2.gz NRDVXJYAUGVLJU-GHMZBOCLSA-N 0 1 340.340 -1.660 20 5 EABDMN NC(=O)NCCC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057545773 672715380 /nfs/dbraw/zinc/71/53/80/672715380.db2.gz OQAQSYJGVRFITN-RKDXNWHRSA-N 0 1 331.329 -2.353 20 5 EABDMN O=C(Cc1nnc[nH]1)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001057545784 672715372 /nfs/dbraw/zinc/71/53/72/672715372.db2.gz PAUYYHMEKRZXLW-RKDXNWHRSA-N 0 1 326.313 -2.051 20 5 EABDMN O=C(Cc1nc[nH]n1)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057545784 672715371 /nfs/dbraw/zinc/71/53/71/672715371.db2.gz PAUYYHMEKRZXLW-RKDXNWHRSA-N 0 1 326.313 -2.051 20 5 EABDMN O=C(NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-])c1cn[nH]c(=O)c1 ZINC001057545798 672715662 /nfs/dbraw/zinc/71/56/62/672715662.db2.gz PKOAIYFRTGXTMT-NXEZZACHSA-N 0 1 339.308 -1.602 20 5 EABDMN Cc1ccn(CC(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001057545810 672715590 /nfs/dbraw/zinc/71/55/90/672715590.db2.gz QCNMAEGBTZIXLH-VXGBXAGGSA-N 0 1 339.352 -1.206 20 5 EABDMN O=C(NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-])c1n[nH]cc1F ZINC001057545864 672715412 /nfs/dbraw/zinc/71/54/12/672715412.db2.gz SKYFWOFDHJVCFK-VXNVDRBHSA-N 0 1 329.288 -1.235 20 5 EABDMN Cc1[nH]c(=O)[nH]c1C(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057545903 672715405 /nfs/dbraw/zinc/71/54/05/672715405.db2.gz VAAYWQSMOBVJCS-RKDXNWHRSA-N 0 1 341.324 -1.360 20 5 EABDMN CC(C)(C(N)=O)C(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057545940 672715325 /nfs/dbraw/zinc/71/53/25/672715325.db2.gz WOZIAYJMSRFXRY-RKDXNWHRSA-N 0 1 330.341 -1.900 20 5 EABDMN O=C(Cc1c[nH]cn1)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057546587 672716190 /nfs/dbraw/zinc/71/61/90/672716190.db2.gz AFVJHZQLOABCHY-GHMZBOCLSA-N 0 1 325.325 -1.446 20 5 EABDMN O=C(CCc1cn[nH]c1)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057546603 672716020 /nfs/dbraw/zinc/71/60/20/672716020.db2.gz ASXSRLYVBJPYCF-VXGBXAGGSA-N 0 1 339.352 -1.055 20 5 EABDMN Cn1ccc(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001057546634 672716056 /nfs/dbraw/zinc/71/60/56/672716056.db2.gz BTCLCYBPXMKCGP-MWLCHTKSSA-N 0 1 325.325 -1.364 20 5 EABDMN Cn1cncc1C(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057546698 672716072 /nfs/dbraw/zinc/71/60/72/672716072.db2.gz DJZOQNZLHQUKNL-NXEZZACHSA-N 0 1 325.325 -1.364 20 5 EABDMN Cc1c[nH]c(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001057546749 672716050 /nfs/dbraw/zinc/71/60/50/672716050.db2.gz GDYILBGKOYOHOO-NXEZZACHSA-N 0 1 325.325 -1.066 20 5 EABDMN O=C(NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-])c1cnc[nH]c1=O ZINC001057547115 672716042 /nfs/dbraw/zinc/71/60/42/672716042.db2.gz PSDKHNTUDDZQSP-PSASIEDQSA-N 0 1 339.308 -1.602 20 5 EABDMN CN(C)C(=O)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057547245 672716082 /nfs/dbraw/zinc/71/60/82/672716082.db2.gz TVZMFBQCNNGDPH-NXEZZACHSA-N 0 1 330.341 -1.933 20 5 EABDMN Cc1ccnn1CC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057547308 672716129 /nfs/dbraw/zinc/71/61/29/672716129.db2.gz WDARCQWDDMWWDS-VXGBXAGGSA-N 0 1 339.352 -1.206 20 5 EABDMN Cn1ccc(CC(=O)N(CCO)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001057548602 672716415 /nfs/dbraw/zinc/71/64/15/672716415.db2.gz LYTQALOOILKECH-VXGBXAGGSA-N 0 1 339.352 -1.435 20 5 EABDMN NC(=O)NCCC(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057552348 672719465 /nfs/dbraw/zinc/71/94/65/672719465.db2.gz OUNHENLILDBTQJ-RKDXNWHRSA-N 0 1 331.329 -2.353 20 5 EABDMN Cc1ccnn1CC(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057613266 672737186 /nfs/dbraw/zinc/73/71/86/672737186.db2.gz IPWYXWYMZMETNH-VXGBXAGGSA-N 0 1 339.352 -1.206 20 5 EABDMN CN(C)C(=O)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057622470 672740130 /nfs/dbraw/zinc/74/01/30/672740130.db2.gz JNWGPHTUATZUAC-NXEZZACHSA-N 0 1 330.341 -1.933 20 5 EABDMN Cn1ccc(C(=O)N(CCO)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001057637772 672746692 /nfs/dbraw/zinc/74/66/92/672746692.db2.gz RMXIWWTXXRZQAN-MWLCHTKSSA-N 0 1 325.325 -1.364 20 5 EABDMN O=C(Cn1ncnn1)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057671305 672758888 /nfs/dbraw/zinc/75/88/88/672758888.db2.gz CBRXHEUJMDRDDY-RKDXNWHRSA-N 0 1 327.301 -2.725 20 5 EABDMN O=C(NCCN(CCO)C(=O)C1CS(=O)(=O)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001057684496 672765401 /nfs/dbraw/zinc/76/54/01/672765401.db2.gz ZIGURSCIGXPQAD-NXEZZACHSA-N 0 1 349.365 -2.367 20 5 EABDMN O=C(Cn1nccn1)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057700887 672770358 /nfs/dbraw/zinc/77/03/58/672770358.db2.gz PVSJNFALQNEYHG-NXEZZACHSA-N 0 1 326.313 -2.120 20 5 EABDMN O=C(CCc1cn[nH]c1)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057705100 672771907 /nfs/dbraw/zinc/77/19/07/672771907.db2.gz BAAPWKBYJVREAY-VXGBXAGGSA-N 0 1 339.352 -1.055 20 5 EABDMN Cc1c[nH]c(C(=O)N(CCO)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001057707417 672773043 /nfs/dbraw/zinc/77/30/43/672773043.db2.gz SFHJIWURRKNQRW-NXEZZACHSA-N 0 1 325.325 -1.066 20 5 EABDMN CNC(=O)NCC(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057855608 672918793 /nfs/dbraw/zinc/91/87/93/672918793.db2.gz IBEAVPZXFJRUKY-RKDXNWHRSA-N 0 1 331.329 -2.482 20 5 EABDMN CCOCCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057867366 672923512 /nfs/dbraw/zinc/92/35/12/672923512.db2.gz DVSWSSBYVCGSIZ-VXGBXAGGSA-N 0 1 347.368 -1.358 20 5 EABDMN CC(C)(C(N)=O)C(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057880103 672926882 /nfs/dbraw/zinc/92/68/82/672926882.db2.gz PQZZKNCOVJWURZ-RKDXNWHRSA-N 0 1 330.341 -1.900 20 5 EABDMN Cc1ncn(C)c1C(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057882153 672928472 /nfs/dbraw/zinc/92/84/72/672928472.db2.gz DTIAHUINFOEZPX-GHMZBOCLSA-N 0 1 339.352 -1.056 20 5 EABDMN O=C(NCCN(CCO)C(=O)c1cn[nH]c(=O)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001057886722 672930802 /nfs/dbraw/zinc/93/08/02/672930802.db2.gz JRYGKCNIPNAZLA-NXEZZACHSA-N 0 1 339.308 -1.602 20 5 EABDMN Cc1[nH]c(=O)[nH]c1C(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057887867 672931420 /nfs/dbraw/zinc/93/14/20/672931420.db2.gz QKCNGHGPGBEQEX-RKDXNWHRSA-N 0 1 341.324 -1.360 20 5 EABDMN O=C(CCc1cnc[nH]1)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001057901438 672934473 /nfs/dbraw/zinc/93/44/73/672934473.db2.gz TWDNBRBMZWMXFO-VXGBXAGGSA-N 0 1 339.352 -1.055 20 5 EABDMN O=C(NCCN(CCO)C(=O)c1cnc[nH]c1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057926616 672939305 /nfs/dbraw/zinc/93/93/05/672939305.db2.gz DXQXRGJOESWHON-PSASIEDQSA-N 0 1 339.308 -1.602 20 5 EABDMN COCCOCCC(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057981046 672949412 /nfs/dbraw/zinc/94/94/12/672949412.db2.gz QRNLEYXYCDIOCU-VXGBXAGGSA-N 0 1 347.368 -1.358 20 5 EABDMN NC(=O)CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057989152 672950241 /nfs/dbraw/zinc/95/02/41/672950241.db2.gz CWNMLWSCZRSHJF-NXEZZACHSA-N 0 1 330.341 -1.756 20 5 EABDMN O=C(Cn1ccnc1)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057996207 672952082 /nfs/dbraw/zinc/95/20/82/672952082.db2.gz BFSCVDDLVOVQIK-GHMZBOCLSA-N 0 1 325.325 -1.515 20 5 EABDMN Cc1nonc1C(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001058003418 672953830 /nfs/dbraw/zinc/95/38/30/672953830.db2.gz LCYVSWMYOXBXIH-RKDXNWHRSA-N 0 1 327.297 -1.406 20 5 EABDMN Cn1cncc1C(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001058029808 672958922 /nfs/dbraw/zinc/95/89/22/672958922.db2.gz UCKSDTVZYRQQRT-NXEZZACHSA-N 0 1 325.325 -1.364 20 5 EABDMN Cc1nc[nH]c1C(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001058063607 672969746 /nfs/dbraw/zinc/96/97/46/672969746.db2.gz RMGJRKJAHQPOGP-NXEZZACHSA-N 0 1 325.325 -1.066 20 5 EABDMN CNC(=O)C1(C(=O)N(CCO)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001058077183 672975239 /nfs/dbraw/zinc/97/52/39/672975239.db2.gz QMWRHJFUUSARGP-NXEZZACHSA-N 0 1 342.352 -1.885 20 5 EABDMN Cn1ncc(C(=O)N(CCO)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001058094781 672979441 /nfs/dbraw/zinc/97/94/41/672979441.db2.gz WYEFKQFTKLSYMZ-PSASIEDQSA-N 0 1 326.313 -1.969 20 5 EABDMN CC(=O)NC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001058100662 669069778 /nfs/dbraw/zinc/06/97/78/669069778.db2.gz VQUBIUNTNQYUPF-GHMZBOCLSA-N 0 1 344.368 -1.497 20 5 EABDMN O=C(COCC(F)F)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001058143665 672984316 /nfs/dbraw/zinc/98/43/16/672984316.db2.gz GLSBBTHZAUVJCA-RKDXNWHRSA-N 0 1 339.295 -1.130 20 5 EABDMN Cn1cncc1CC(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001058159649 672988845 /nfs/dbraw/zinc/98/88/45/672988845.db2.gz RNTAGFLPEPAXLN-VXGBXAGGSA-N 0 1 339.352 -1.435 20 5 EABDMN COc1nc(C(=O)N(CCO)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])co1 ZINC001058180995 672992461 /nfs/dbraw/zinc/99/24/61/672992461.db2.gz DQBYMHSLFZDJKH-PSASIEDQSA-N 0 1 342.308 -1.101 20 5 EABDMN O=C(NCCN(CCO)C(=O)c1csnn1)[C@@H]1CC1[N+](=O)[O-] ZINC001058185699 672993272 /nfs/dbraw/zinc/99/32/72/672993272.db2.gz DDLYOPZOPIBIRG-VXNVDRBHSA-N 0 1 329.338 -1.246 20 5 EABDMN O=C(CCn1ccnc1)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001058200764 672995065 /nfs/dbraw/zinc/99/50/65/672995065.db2.gz UKKANPKOEZFHEN-VXGBXAGGSA-N 0 1 339.352 -1.125 20 5 EABDMN Cc1nc[nH]c1CC(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001058263758 673004815 /nfs/dbraw/zinc/00/48/15/673004815.db2.gz YTQCXLVQHLXZBM-ZYHUDNBSSA-N 0 1 339.352 -1.137 20 5 EABDMN Cc1n[nH]cc1C(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001058267881 673005095 /nfs/dbraw/zinc/00/50/95/673005095.db2.gz PELBHBRQDAUMMO-MWLCHTKSSA-N 0 1 325.325 -1.066 20 5 EABDMN Cc1nn[nH]c1C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001058275272 673007230 /nfs/dbraw/zinc/00/72/30/673007230.db2.gz YIBCJFAXGFAWJE-RKDXNWHRSA-N 0 1 326.313 -1.671 20 5 EABDMN Cc1n[nH]nc1C(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001058275272 673007224 /nfs/dbraw/zinc/00/72/24/673007224.db2.gz YIBCJFAXGFAWJE-RKDXNWHRSA-N 0 1 326.313 -1.671 20 5 EABDMN Cn1c(=O)[nH]cc1C(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001058298413 673018732 /nfs/dbraw/zinc/01/87/32/673018732.db2.gz BRJFUZFNXGTRPV-RKDXNWHRSA-N 0 1 341.324 -1.658 20 5 EABDMN Cn1nnc(C(=O)N(CCO)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001058420275 673036805 /nfs/dbraw/zinc/03/68/05/673036805.db2.gz IGLQQWYQJHHBNL-HTQZYQBOSA-N 0 1 327.301 -2.574 20 5 EABDMN Cc1cnn(C)c1C(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001058431060 673040717 /nfs/dbraw/zinc/04/07/17/673040717.db2.gz LRJSVTVFILVVJN-GHMZBOCLSA-N 0 1 339.352 -1.056 20 5 EABDMN O=C(NCCN(CCO)C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001058447703 673041689 /nfs/dbraw/zinc/04/16/89/673041689.db2.gz GCWPNXSWBWKKHB-ZIQFBCGOSA-N 0 1 327.337 -1.519 20 5 EABDMN O=C(Cc1cnoc1)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001058482088 673046164 /nfs/dbraw/zinc/04/61/64/673046164.db2.gz OWHGLAKLMQYNIJ-GHMZBOCLSA-N 0 1 326.309 -1.181 20 5 EABDMN Cc1ncc(C(=O)N(CCO)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1C ZINC001058499243 668079275 /nfs/dbraw/zinc/07/92/75/668079275.db2.gz YHJZMZPDGXPNLX-GHMZBOCLSA-N 0 1 339.352 -1.056 20 5 EABDMN O=C(CCn1cnnn1)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001058540707 668386176 /nfs/dbraw/zinc/38/61/76/668386176.db2.gz PYGWFPBFZXVWKP-NXEZZACHSA-N 0 1 341.328 -2.335 20 5 EABDMN O=C(Cc1ncc[nH]1)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001058550447 668594139 /nfs/dbraw/zinc/59/41/39/668594139.db2.gz WAJNEDGFBVVVCS-NXEZZACHSA-N 0 1 325.325 -1.446 20 5 EABDMN O=C(NCC1CC1)C(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001058587088 668676669 /nfs/dbraw/zinc/67/66/69/668676669.db2.gz MKPJXFKXTWCXDR-GHMZBOCLSA-N 0 1 342.352 -1.885 20 5 EABDMN O=C(NCCN(CCO)C(=O)c1c[nH]c(=O)cn1)[C@@H]1CC1[N+](=O)[O-] ZINC001058603511 668722857 /nfs/dbraw/zinc/72/28/57/668722857.db2.gz ZPANTTHOJVWAFX-PSASIEDQSA-N 0 1 339.308 -2.014 20 5 EABDMN NC(=O)C1(C(=O)N(CCO)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001058635877 668821121 /nfs/dbraw/zinc/82/11/21/668821121.db2.gz MRPLHZZBTMJUNJ-RKDXNWHRSA-N 0 1 328.325 -2.146 20 5 EABDMN CCn1cc(C(=O)N(CCO)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001058666433 668861109 /nfs/dbraw/zinc/86/11/09/668861109.db2.gz OTOQWKPNEBTMKT-MWLCHTKSSA-N 0 1 340.340 -1.486 20 5 EABDMN Cc1nonc1CC(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001058688340 668075851 /nfs/dbraw/zinc/07/58/51/668075851.db2.gz PORWZLDCVVLYLI-MWLCHTKSSA-N 0 1 341.324 -1.477 20 5 EABDMN Cn1cc(C(=O)N(CCO)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])[nH]c1=O ZINC001058714843 668141254 /nfs/dbraw/zinc/14/12/54/668141254.db2.gz NMLUHSQKWOZSOC-PSASIEDQSA-N 0 1 341.324 -1.658 20 5 EABDMN O=C(NCCN(CCO)C(=O)c1n[nH]cc1F)[C@@H]1CC1[N+](=O)[O-] ZINC001058751568 668191421 /nfs/dbraw/zinc/19/14/21/668191421.db2.gz MOTAWLMCVZSUHB-VXNVDRBHSA-N 0 1 329.288 -1.235 20 5 EABDMN COCCCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001058828777 668541666 /nfs/dbraw/zinc/54/16/66/668541666.db2.gz MXXCRWQNFPSOMA-VXGBXAGGSA-N 0 1 347.368 -1.358 20 5 EABDMN NC(=O)CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001058833016 668543484 /nfs/dbraw/zinc/54/34/84/668543484.db2.gz NMDIMQVPCPKTLU-GHMZBOCLSA-N 0 1 344.368 -1.366 20 5 EABDMN Cc1ccn(CC(=O)N(CCO)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001058864461 668582378 /nfs/dbraw/zinc/58/23/78/668582378.db2.gz WKKBOWKGWBGFSH-VXGBXAGGSA-N 0 1 339.352 -1.206 20 5 EABDMN O=C(CCc1c[nH]nn1)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001058870972 668588841 /nfs/dbraw/zinc/58/88/41/668588841.db2.gz VVZWMOVZFVOTSD-GHMZBOCLSA-N 0 1 340.340 -1.660 20 5 EABDMN O=C(Cn1cncn1)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001058884162 668597008 /nfs/dbraw/zinc/59/70/08/668597008.db2.gz JELQTMWNJRWGTB-NXEZZACHSA-N 0 1 326.313 -2.120 20 5 EABDMN O=C(Cc1nnc[nH]1)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001058889490 668606514 /nfs/dbraw/zinc/60/65/14/668606514.db2.gz GAHHSIARKCKKMN-RKDXNWHRSA-N 0 1 326.313 -2.051 20 5 EABDMN O=C(Cc1cnc[nH]1)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001058948449 668712747 /nfs/dbraw/zinc/71/27/47/668712747.db2.gz YIVQZPJLUYKMTD-GHMZBOCLSA-N 0 1 325.325 -1.446 20 5 EABDMN Nc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2nc[nH]n2)ncc1[N+](=O)[O-] ZINC001060426703 669828064 /nfs/dbraw/zinc/82/80/64/669828064.db2.gz SOLUPCCSPJMZHY-BDINMYNLSA-N 0 1 331.296 -1.050 20 5 EABDMN Nc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ncn[nH]2)ncc1[N+](=O)[O-] ZINC001060426703 669828059 /nfs/dbraw/zinc/82/80/59/669828059.db2.gz SOLUPCCSPJMZHY-BDINMYNLSA-N 0 1 331.296 -1.050 20 5 EABDMN Nc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2nnc[nH]2)ncc1[N+](=O)[O-] ZINC001060437249 669833711 /nfs/dbraw/zinc/83/37/11/669833711.db2.gz GQQLYISRMSJEER-IIDWOEFGSA-N 0 1 345.323 -1.121 20 5 EABDMN Nc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cnn[nH]2)ncc1[N+](=O)[O-] ZINC001060489480 669854781 /nfs/dbraw/zinc/85/47/81/669854781.db2.gz SUAFLYAKNVQLMS-KPCSLPGQSA-N 0 1 331.296 -1.050 20 5 EABDMN NC(=O)NCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001060893802 668919701 /nfs/dbraw/zinc/91/97/01/668919701.db2.gz UVCHAGVKLWAEHU-NXEZZACHSA-N 0 1 339.352 -1.229 20 5 EABDMN NC(=O)NCC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001061006535 668944540 /nfs/dbraw/zinc/94/45/40/668944540.db2.gz ZJKZYWKCGFSEBS-NXEZZACHSA-N 0 1 339.352 -1.229 20 5 EABDMN CS(=O)(=O)CC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062655572 669585587 /nfs/dbraw/zinc/58/55/87/669585587.db2.gz KIUWLGXGASMLLE-RKDXNWHRSA-N 0 1 333.366 -1.149 20 5 EABDMN O=C(CN1CN=NC1=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062831891 669622733 /nfs/dbraw/zinc/62/27/33/669622733.db2.gz XILSXCGQQBOEMR-RKDXNWHRSA-N 0 1 338.324 -1.196 20 5 EABDMN O=C(CN1CN=NC1=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062988962 669629503 /nfs/dbraw/zinc/62/95/03/669629503.db2.gz IWJFWADNPRWBSQ-RKDXNWHRSA-N 0 1 338.324 -1.196 20 5 EABDMN CNS(=O)(=O)CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062988991 669629527 /nfs/dbraw/zinc/62/95/27/669629527.db2.gz JWQHWFBGAQLPMY-RKDXNWHRSA-N 0 1 348.381 -1.644 20 5 EABDMN CS(=O)(=O)CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062989424 669629649 /nfs/dbraw/zinc/62/96/49/669629649.db2.gz CWDWIYWAPRTRGI-RKDXNWHRSA-N 0 1 333.366 -1.149 20 5 EABDMN CNC(=O)NCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062990476 669630344 /nfs/dbraw/zinc/63/03/44/669630344.db2.gz KJHGMXWVAQSRKK-RKDXNWHRSA-N 0 1 327.341 -1.264 20 5 EABDMN O=C(CCn1cnnn1)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062990768 669630268 /nfs/dbraw/zinc/63/02/68/669630268.db2.gz PMSDNBJQICYSEL-NXEZZACHSA-N 0 1 337.340 -1.117 20 5 EABDMN O=C(NCC1(NC(=O)C2CS(=O)(=O)C2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001062993149 669630176 /nfs/dbraw/zinc/63/01/76/669630176.db2.gz RAFVVBFDXWKOSX-NXEZZACHSA-N 0 1 345.377 -1.149 20 5 EABDMN NC(=O)NCCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062993400 669630164 /nfs/dbraw/zinc/63/01/64/669630164.db2.gz UGWMVEISDIRAGJ-RKDXNWHRSA-N 0 1 327.341 -1.135 20 5 EABDMN NC(=O)NCCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001063003446 669630120 /nfs/dbraw/zinc/63/01/20/669630120.db2.gz XULJGOSYQHOFAQ-RKDXNWHRSA-N 0 1 327.341 -1.135 20 5 EABDMN CNS(=O)(=O)CC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001063127028 669635694 /nfs/dbraw/zinc/63/56/94/669635694.db2.gz DGFRGCUQNXUHDZ-RKDXNWHRSA-N 0 1 348.381 -1.644 20 5 EABDMN O=C(NC1(CNC(=O)C2CS(=O)(=O)C2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001063159487 669638315 /nfs/dbraw/zinc/63/83/15/669638315.db2.gz MVTBQYABQQYRNA-NXEZZACHSA-N 0 1 345.377 -1.149 20 5 EABDMN CNC(=O)NCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001063332276 669642080 /nfs/dbraw/zinc/64/20/80/669642080.db2.gz NWOOONVXZLXBHF-RKDXNWHRSA-N 0 1 327.341 -1.264 20 5 EABDMN O=C(CCn1cnnn1)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001064199830 669671452 /nfs/dbraw/zinc/67/14/52/669671452.db2.gz KQCOWHWFEZARRS-NXEZZACHSA-N 0 1 337.340 -1.117 20 5 EABDMN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cn1cnnn1 ZINC001066783566 671917690 /nfs/dbraw/zinc/91/76/90/671917690.db2.gz MMFCQNCVEQKQRE-NXEZZACHSA-N 0 1 325.329 -1.355 20 5 EABDMN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CN1CN=NC1=O ZINC001067243224 672959944 /nfs/dbraw/zinc/95/99/44/672959944.db2.gz DHHLHJJFVDXTAE-NXEZZACHSA-N 0 1 340.340 -1.044 20 5 EABDMN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cn1ncnn1 ZINC001067389194 673420845 /nfs/dbraw/zinc/42/08/45/673420845.db2.gz SFGBIJLSWAHFBW-NXEZZACHSA-N 0 1 325.329 -1.355 20 5 EABDMN CNC(=O)NCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067391888 673431064 /nfs/dbraw/zinc/43/10/64/673431064.db2.gz LOIVCIVOYMAKQN-NXEZZACHSA-N 0 1 329.357 -1.113 20 5 EABDMN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1nnn(C)n1 ZINC001067391903 673431172 /nfs/dbraw/zinc/43/11/72/673431172.db2.gz NBLXGTCOYSQTGX-RKDXNWHRSA-N 0 1 325.329 -1.204 20 5 EABDMN CC(=O)NCC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001068279444 673062370 /nfs/dbraw/zinc/06/23/70/673062370.db2.gz KOSOFSPYVDVHKX-GHMZBOCLSA-N 0 1 340.336 -1.773 20 5 EABDMN NC(=O)NCC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001068298142 673066025 /nfs/dbraw/zinc/06/60/25/673066025.db2.gz KNMGOPHUUKVHTF-RKDXNWHRSA-N 0 1 341.324 -2.240 20 5 EABDMN CNC(=O)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001068386743 673073541 /nfs/dbraw/zinc/07/35/41/673073541.db2.gz BMLSLOJVNYZGEG-NXEZZACHSA-N 0 1 340.336 -1.773 20 5 EABDMN NC(=O)NCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC001068394632 673074873 /nfs/dbraw/zinc/07/48/73/673074873.db2.gz ALSPBZSDTKDZMX-RKDXNWHRSA-N 0 1 341.324 -2.240 20 5 EABDMN CC(=O)NCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC001068394922 673074848 /nfs/dbraw/zinc/07/48/48/673074848.db2.gz IUKBSZUVKTYUKN-GHMZBOCLSA-N 0 1 340.336 -1.773 20 5 EABDMN CNC(=O)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC001068395121 673074812 /nfs/dbraw/zinc/07/48/12/673074812.db2.gz PDIQXLOOZVFXQI-NXEZZACHSA-N 0 1 340.336 -1.773 20 5 EABDMN CNC(=O)CN1CCn2ncc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])c2C1 ZINC001069860051 673149064 /nfs/dbraw/zinc/14/90/64/673149064.db2.gz AWZKFRDFEQCIPQ-GHMZBOCLSA-N 0 1 336.352 -1.274 20 5 EABDMN CC(=O)NCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001069954191 673159238 /nfs/dbraw/zinc/15/92/38/673159238.db2.gz RLLRLNSQRZLVBY-GHMZBOCLSA-N 0 1 342.352 -1.431 20 5 EABDMN NC(=O)NCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001069975838 673161828 /nfs/dbraw/zinc/16/18/28/673161828.db2.gz IWICBVXKRGYFRM-RKDXNWHRSA-N 0 1 343.340 -1.899 20 5 EABDMN NC(=O)CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070047325 673170620 /nfs/dbraw/zinc/17/06/20/673170620.db2.gz OSISZBGTYVDTON-RKDXNWHRSA-N 0 1 328.325 -1.691 20 5 EABDMN CNC(=O)CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070086261 673175543 /nfs/dbraw/zinc/17/55/43/673175543.db2.gz NXAAPUFHXIQMMH-NXEZZACHSA-N 0 1 342.352 -1.431 20 5 EABDMN NC(=O)CC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070113029 673179826 /nfs/dbraw/zinc/17/98/26/673179826.db2.gz CTKHBLYMAKPGDP-RKDXNWHRSA-N 0 1 328.325 -1.691 20 5 EABDMN CC(=O)NCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070113126 673179841 /nfs/dbraw/zinc/17/98/41/673179841.db2.gz HWUJVEDGVONFGQ-GHMZBOCLSA-N 0 1 342.352 -1.431 20 5 EABDMN NC(=O)NCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070113208 673179660 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