smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)NCCC(=O)N1CC[NH2+]CC1 ZINC000159376324 322965885 /nfs/dbraw/zinc/96/58/85/322965885.db2.gz FJLCTPMDHSGBIR-UHFFFAOYSA-N 1 0 215.253 -0.836 20 70 BBIDRO CNC(=O)C[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000159385374 385900664 /nfs/dbraw/zinc/90/06/64/385900664.db2.gz VOHMMRLTUFYNNM-IUCAKERBSA-N 1 0 200.282 -0.032 20 70 BBIDRO CNC(=O)C[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000159385500 385900597 /nfs/dbraw/zinc/90/05/97/385900597.db2.gz VOHMMRLTUFYNNM-BDAKNGLRSA-N 1 0 200.282 -0.032 20 70 BBIDRO CNC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000159385630 385901012 /nfs/dbraw/zinc/90/10/12/385901012.db2.gz VOHMMRLTUFYNNM-DTWKUNHWSA-N 1 0 200.282 -0.032 20 70 BBIDRO CNC(=O)C[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000159385728 385900340 /nfs/dbraw/zinc/90/03/40/385900340.db2.gz VOHMMRLTUFYNNM-RKDXNWHRSA-N 1 0 200.282 -0.032 20 70 BBIDRO COC(=O)N(C)CCCC(=O)N1CC[NH2+]CC1 ZINC000159389832 322966027 /nfs/dbraw/zinc/96/60/27/322966027.db2.gz YUQRUWBBBUCOOJ-UHFFFAOYSA-N 1 0 243.307 -0.103 20 70 BBIDRO CN(C)C(=O)C(C)(C)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000159409145 384068398 /nfs/dbraw/zinc/06/83/98/384068398.db2.gz BTWDTEFYHVGMJM-SECBINFHSA-N 1 0 241.335 -0.031 20 70 BBIDRO CN(C)C(=O)C(C)(C)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000159409281 384067693 /nfs/dbraw/zinc/06/76/93/384067693.db2.gz BTWDTEFYHVGMJM-VIFPVBQESA-N 1 0 241.335 -0.031 20 70 BBIDRO COC(=O)N[C@H](C(=O)N1CC[NH2+]CC1)C(C)C ZINC000159421873 384128418 /nfs/dbraw/zinc/12/84/18/384128418.db2.gz SCXXNMIPBHPBRP-VIFPVBQESA-N 1 0 243.307 -0.201 20 70 BBIDRO CC(C)[C@H](C(=O)NCC(=O)N(C)C)[NH+](C)C ZINC000159425318 345433687 /nfs/dbraw/zinc/43/36/87/345433687.db2.gz BTCOOHYSWPXKBE-SNVBAGLBSA-N 1 0 229.324 -0.223 20 70 BBIDRO COC[C@@H](O)C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000159428395 384141464 /nfs/dbraw/zinc/14/14/64/384141464.db2.gz KCPNGNRGQPFEFJ-AEJSXWLSSA-N 1 0 203.282 -0.304 20 70 BBIDRO COC[C@@H](O)C[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000159428535 384140999 /nfs/dbraw/zinc/14/09/99/384140999.db2.gz KCPNGNRGQPFEFJ-BBBLOLIVSA-N 1 0 203.282 -0.304 20 70 BBIDRO COC[C@@H](O)C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000159428665 384140868 /nfs/dbraw/zinc/14/08/68/384140868.db2.gz KCPNGNRGQPFEFJ-GUBZILKMSA-N 1 0 203.282 -0.304 20 70 BBIDRO COC[C@@H](O)C[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000159428812 384141343 /nfs/dbraw/zinc/14/13/43/384141343.db2.gz KCPNGNRGQPFEFJ-UTLUCORTSA-N 1 0 203.282 -0.304 20 70 BBIDRO C[C@H](O)[C@@H]1CC[N@H+](CCOCCO)C1 ZINC000159429410 488059376 /nfs/dbraw/zinc/05/93/76/488059376.db2.gz QDFFMDPXAZQBQH-VHSXEESVSA-N 1 0 203.282 -0.302 20 70 BBIDRO C[C@@H](O)[C@@H]1CC[N@H+](CCOCCO)C1 ZINC000159429570 345433729 /nfs/dbraw/zinc/43/37/29/345433729.db2.gz QDFFMDPXAZQBQH-NXEZZACHSA-N 1 0 203.282 -0.302 20 70 BBIDRO C[C@H](O)[C@H]1CC[N@H+](CCOCCO)C1 ZINC000159429697 134774405 /nfs/dbraw/zinc/77/44/05/134774405.db2.gz QDFFMDPXAZQBQH-UWVGGRQHSA-N 1 0 203.282 -0.302 20 70 BBIDRO C[C@@H](O)[C@H]1CC[N@H+](CCOCCO)C1 ZINC000159429827 388014941 /nfs/dbraw/zinc/01/49/41/388014941.db2.gz QDFFMDPXAZQBQH-ZJUUUORDSA-N 1 0 203.282 -0.302 20 70 BBIDRO Cn1nccc1/C=C/C(=O)N1CC[NH2+]CC1 ZINC000159431408 384331255 /nfs/dbraw/zinc/33/12/55/384331255.db2.gz PTWOFCAVZOPMJM-NSCUHMNNSA-N 1 0 220.276 -0.135 20 70 BBIDRO C[C@H](O)C[N@H+](C)CC1(O)CCOCC1 ZINC000159456522 350390871 /nfs/dbraw/zinc/39/08/71/350390871.db2.gz HCKHEGUZLWYKTI-VIFPVBQESA-N 1 0 203.282 -0.160 20 70 BBIDRO C[C@@H](O)C[N@H+](C)CC1(O)CCOCC1 ZINC000159456674 350390720 /nfs/dbraw/zinc/39/07/20/350390720.db2.gz HCKHEGUZLWYKTI-SECBINFHSA-N 1 0 203.282 -0.160 20 70 BBIDRO CNC(=O)NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159456818 386225555 /nfs/dbraw/zinc/22/55/55/386225555.db2.gz NNNYOARNHWBIHD-IUCAKERBSA-N 1 0 243.307 -0.465 20 70 BBIDRO CNC(=O)NC(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159456972 397947725 /nfs/dbraw/zinc/94/77/25/397947725.db2.gz NNNYOARNHWBIHD-BDAKNGLRSA-N 1 0 243.307 -0.465 20 70 BBIDRO CCNC(=O)C[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000159460013 386284896 /nfs/dbraw/zinc/28/48/96/386284896.db2.gz DEAORVLRDUQLOC-BDAKNGLRSA-N 1 0 200.282 -0.175 20 70 BBIDRO CCNC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000159460142 386305959 /nfs/dbraw/zinc/30/59/59/386305959.db2.gz DEAORVLRDUQLOC-RKDXNWHRSA-N 1 0 200.282 -0.175 20 70 BBIDRO CCNC(=O)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000159475001 345436792 /nfs/dbraw/zinc/43/67/92/345436792.db2.gz SGPPIEVCWOPXCB-SNVBAGLBSA-N 1 0 229.324 -0.175 20 70 BBIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000159498088 384491766 /nfs/dbraw/zinc/49/17/66/384491766.db2.gz SYMYFJSQRZEJQB-VWYCJHECSA-N 1 0 244.335 -0.017 20 70 BBIDRO C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159520124 386651571 /nfs/dbraw/zinc/65/15/71/386651571.db2.gz LYIUINWPWAMOJM-VGMNWLOBSA-N 1 0 243.307 -0.337 20 70 BBIDRO CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)O ZINC000159526797 345441509 /nfs/dbraw/zinc/44/15/09/345441509.db2.gz PEWNJRWHXZKPPD-RKDXNWHRSA-N 1 0 245.323 -0.078 20 70 BBIDRO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)O ZINC000159526941 345441577 /nfs/dbraw/zinc/44/15/77/345441577.db2.gz PEWNJRWHXZKPPD-BDAKNGLRSA-N 1 0 245.323 -0.078 20 70 BBIDRO C[C@]1(C(=O)NCCC(N)=O)CCCC[NH2+]1 ZINC000159561563 361256138 /nfs/dbraw/zinc/25/61/38/361256138.db2.gz XTYFDFXCVONURM-SNVBAGLBSA-N 1 0 213.281 -0.490 20 70 BBIDRO C[C@@]1(C(=O)NCCC(N)=O)CCCC[NH2+]1 ZINC000159561690 361256127 /nfs/dbraw/zinc/25/61/27/361256127.db2.gz XTYFDFXCVONURM-JTQLQIEISA-N 1 0 213.281 -0.490 20 70 BBIDRO CN(CC[NH+](C)C)C(=O)N[C@@H]1CCOC1 ZINC000159565471 361256740 /nfs/dbraw/zinc/25/67/40/361256740.db2.gz GWUQWSMYGAVKNX-SECBINFHSA-N 1 0 215.297 -0.022 20 70 BBIDRO CN(CC[NH+](C)C)C(=O)N[C@H]1CCOC1 ZINC000159565606 346425476 /nfs/dbraw/zinc/42/54/76/346425476.db2.gz GWUQWSMYGAVKNX-VIFPVBQESA-N 1 0 215.297 -0.022 20 70 BBIDRO COC(=O)CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000159567958 361256851 /nfs/dbraw/zinc/25/68/51/361256851.db2.gz ZVAALCBEYHSLFL-SNVBAGLBSA-N 1 0 214.265 -0.192 20 70 BBIDRO COC(=O)CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000159568085 361257344 /nfs/dbraw/zinc/25/73/44/361257344.db2.gz ZVAALCBEYHSLFL-JTQLQIEISA-N 1 0 214.265 -0.192 20 70 BBIDRO CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159579220 411306671 /nfs/dbraw/zinc/30/66/71/411306671.db2.gz YWILYHGGZCXSHD-INTQDDNPSA-N 1 0 239.319 -0.136 20 70 BBIDRO CC(=O)N[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159579329 384341674 /nfs/dbraw/zinc/34/16/74/384341674.db2.gz YWILYHGGZCXSHD-IEBDPFPHSA-N 1 0 239.319 -0.136 20 70 BBIDRO OCC(CO)[NH2+]Cc1cc(O)cc(F)c1 ZINC000159605735 183033460 /nfs/dbraw/zinc/03/34/60/183033460.db2.gz XXOVUPLFWCCIJM-UHFFFAOYSA-N 1 0 215.224 -0.026 20 70 BBIDRO OC[C@@H](O)C[NH2+]Cc1cc(O)cc(F)c1 ZINC000159607074 183111238 /nfs/dbraw/zinc/11/12/38/183111238.db2.gz ZCUSOMQHXRCUJM-JTQLQIEISA-N 1 0 215.224 -0.026 20 70 BBIDRO OC[C@H](O)C[NH2+]Cc1cc(O)cc(F)c1 ZINC000159607198 183142825 /nfs/dbraw/zinc/14/28/25/183142825.db2.gz ZCUSOMQHXRCUJM-SNVBAGLBSA-N 1 0 215.224 -0.026 20 70 BBIDRO C[C@H](O)CCN(C)C(=O)C[NH2+]C1CC1 ZINC000159622577 343202290 /nfs/dbraw/zinc/20/22/90/343202290.db2.gz HWAQTVPXLHGXOR-QMMMGPOBSA-N 1 0 200.282 -0.032 20 70 BBIDRO C[C@@H](O)CCN(C)C(=O)C[NH2+]C1CC1 ZINC000159622693 343202545 /nfs/dbraw/zinc/20/25/45/343202545.db2.gz HWAQTVPXLHGXOR-MRVPVSSYSA-N 1 0 200.282 -0.032 20 70 BBIDRO O=C(C[NH2+]C1CC1)NCCc1ncc[nH]1 ZINC000159627264 488072299 /nfs/dbraw/zinc/07/22/99/488072299.db2.gz KZNVYZJRPFQREZ-UHFFFAOYSA-N 1 0 208.265 -0.180 20 70 BBIDRO C[N@@H+](CC(=O)NC(N)=O)C[C@@H]1CCC[C@@H]1O ZINC000159697663 385715062 /nfs/dbraw/zinc/71/50/62/385715062.db2.gz AVPOSFIZXSOIMB-YUMQZZPRSA-N 1 0 229.280 -0.726 20 70 BBIDRO C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCC[C@@H]1O ZINC000159697796 385714162 /nfs/dbraw/zinc/71/41/62/385714162.db2.gz AVPOSFIZXSOIMB-SFYZADRCSA-N 1 0 229.280 -0.726 20 70 BBIDRO Cc1ccc(C(=O)NC[C@@H](C)[NH3+])c(=O)[nH]1 ZINC000159747806 488083870 /nfs/dbraw/zinc/08/38/70/488083870.db2.gz VYWCKGHEECGPES-ZCFIWIBFSA-N 1 0 209.249 -0.240 20 70 BBIDRO Cc1ccc(C(=O)NC[C@H](C)[NH3+])c(=O)[nH]1 ZINC000159747945 488083599 /nfs/dbraw/zinc/08/35/99/488083599.db2.gz VYWCKGHEECGPES-LURJTMIESA-N 1 0 209.249 -0.240 20 70 BBIDRO C[C@@H]1C(=O)NCCN1CCn1ccnc1 ZINC000159795357 176046898 /nfs/dbraw/zinc/04/68/98/176046898.db2.gz YHWCSDRPDZAVDW-SECBINFHSA-N 1 0 208.265 -0.297 20 70 BBIDRO C[C@H]1C(=O)NCCN1CCn1ccnc1 ZINC000159795472 177059100 /nfs/dbraw/zinc/05/91/00/177059100.db2.gz YHWCSDRPDZAVDW-VIFPVBQESA-N 1 0 208.265 -0.297 20 70 BBIDRO Cc1ccnc(N2CCN(CC(N)=O)CC2)c1 ZINC000159831601 384362587 /nfs/dbraw/zinc/36/25/87/384362587.db2.gz DZENWRZECHIKDX-UHFFFAOYSA-N 1 0 234.303 -0.003 20 70 BBIDRO NC(=O)[C@H]1CN(CCOCC2CC2)CCO1 ZINC000159896980 345586010 /nfs/dbraw/zinc/58/60/10/345586010.db2.gz FYWAZQYMGZYQPR-SNVBAGLBSA-N 1 0 228.292 -0.401 20 70 BBIDRO CCOCCC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000159901772 345624123 /nfs/dbraw/zinc/62/41/23/345624123.db2.gz RPJGGAULCRJWEQ-VIFPVBQESA-N 1 0 216.281 -0.401 20 70 BBIDRO CCOCCC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000159901899 345624948 /nfs/dbraw/zinc/62/49/48/345624948.db2.gz RPJGGAULCRJWEQ-SECBINFHSA-N 1 0 216.281 -0.401 20 70 BBIDRO CN(C)C(=O)C[C@]1(C(=O)N(C)C)CC[NH2+]C1 ZINC000159920212 345656638 /nfs/dbraw/zinc/65/66/38/345656638.db2.gz CAWXQXJWIYQMKJ-LLVKDONJSA-N 1 0 227.308 -0.467 20 70 BBIDRO CN(C)C(=O)C[C@@]1(C(=O)N(C)C)CC[NH2+]C1 ZINC000159920349 345657185 /nfs/dbraw/zinc/65/71/85/345657185.db2.gz CAWXQXJWIYQMKJ-NSHDSACASA-N 1 0 227.308 -0.467 20 70 BBIDRO CN(C)S(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000159994219 361297728 /nfs/dbraw/zinc/29/77/28/361297728.db2.gz FEDBQBVGWCJOAV-VIFPVBQESA-N 1 0 235.353 -0.228 20 70 BBIDRO CN(C)S(=O)(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000159994316 361297654 /nfs/dbraw/zinc/29/76/54/361297654.db2.gz FEDBQBVGWCJOAV-SECBINFHSA-N 1 0 235.353 -0.228 20 70 BBIDRO CN(C)S(=O)(=O)NCC1(C)CC[NH2+]CC1 ZINC000159997354 361297697 /nfs/dbraw/zinc/29/76/97/361297697.db2.gz IHNDKFJSJYPRHO-UHFFFAOYSA-N 1 0 235.353 -0.228 20 70 BBIDRO COC[C@@H]([NH3+])C(=O)N(C)CCSC ZINC000160003141 343203108 /nfs/dbraw/zinc/20/31/08/343203108.db2.gz GUMWWSFOVOADGJ-SSDOTTSWSA-N 1 0 206.311 -0.219 20 70 BBIDRO COC[C@H]([NH3+])C(=O)N(C)CCSC ZINC000160003264 343202781 /nfs/dbraw/zinc/20/27/81/343202781.db2.gz GUMWWSFOVOADGJ-ZETCQYMHSA-N 1 0 206.311 -0.219 20 70 BBIDRO C[C@H](NC(=O)c1ccoc1)C(=O)NCCC[NH3+] ZINC000160005559 176820577 /nfs/dbraw/zinc/82/05/77/176820577.db2.gz IWFWUVLHYGIISG-QMMMGPOBSA-N 1 0 239.275 -0.137 20 70 BBIDRO C[C@@H](NC(=O)c1ccoc1)C(=O)NCCC[NH3+] ZINC000160005682 384375670 /nfs/dbraw/zinc/37/56/70/384375670.db2.gz IWFWUVLHYGIISG-MRVPVSSYSA-N 1 0 239.275 -0.137 20 70 BBIDRO CSCCN(C)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000160011405 323057417 /nfs/dbraw/zinc/05/74/17/323057417.db2.gz HHFNLSGJZUYFDK-JGVFFNPUSA-N 1 0 218.322 -0.469 20 70 BBIDRO CSCCN(C)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000160011659 343203101 /nfs/dbraw/zinc/20/31/01/343203101.db2.gz HHFNLSGJZUYFDK-HTQZYQBOSA-N 1 0 218.322 -0.469 20 70 BBIDRO CCC(=O)N1CSC[C@@H]1C(=O)NCCC[NH3+] ZINC000160037264 168225978 /nfs/dbraw/zinc/22/59/78/168225978.db2.gz RCWPAKKTFBDEKW-MRVPVSSYSA-N 1 0 245.348 -0.237 20 70 BBIDRO CCC(=O)N1CSC[C@H]1C(=O)NCCC[NH3+] ZINC000160037387 168225099 /nfs/dbraw/zinc/22/50/99/168225099.db2.gz RCWPAKKTFBDEKW-QMMMGPOBSA-N 1 0 245.348 -0.237 20 70 BBIDRO CC(C)N1CC[C@@H](NC(=O)[C@H](C)[NH3+])C1=O ZINC000160037413 188220406 /nfs/dbraw/zinc/22/04/06/188220406.db2.gz QFGHPZPWQXHWJK-JGVFFNPUSA-N 1 0 213.281 -0.541 20 70 BBIDRO CC(C)N1CC[C@H](NC(=O)[C@H](C)[NH3+])C1=O ZINC000160037587 167025102 /nfs/dbraw/zinc/02/51/02/167025102.db2.gz QFGHPZPWQXHWJK-YUMQZZPRSA-N 1 0 213.281 -0.541 20 70 BBIDRO CC(C)N1CC[C@H](NC(=O)CC[NH3+])C1=O ZINC000160037727 167025627 /nfs/dbraw/zinc/02/56/27/167025627.db2.gz HJYXRHYXDTZQFH-QMMMGPOBSA-N 1 0 213.281 -0.539 20 70 BBIDRO CC(C)N1CC[C@@H](NC(=O)CC[NH3+])C1=O ZINC000160037850 188219801 /nfs/dbraw/zinc/21/98/01/188219801.db2.gz HJYXRHYXDTZQFH-MRVPVSSYSA-N 1 0 213.281 -0.539 20 70 BBIDRO CC(C)N1CC[C@H](NC(=O)[C@@H](C)[NH3+])C1=O ZINC000160037925 167025587 /nfs/dbraw/zinc/02/55/87/167025587.db2.gz QFGHPZPWQXHWJK-SFYZADRCSA-N 1 0 213.281 -0.541 20 70 BBIDRO CC(C)N1CC[C@@H](NC(=O)[C@@H](C)[NH3+])C1=O ZINC000160038060 388044506 /nfs/dbraw/zinc/04/45/06/388044506.db2.gz QFGHPZPWQXHWJK-HTQZYQBOSA-N 1 0 213.281 -0.541 20 70 BBIDRO CC[C@H]([NH3+])C(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000160039621 323058155 /nfs/dbraw/zinc/05/81/55/323058155.db2.gz UDLOHXUQTFHUHO-DTWKUNHWSA-N 1 0 227.308 -0.151 20 70 BBIDRO CC[C@H]([NH3+])C(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000160039739 323058167 /nfs/dbraw/zinc/05/81/67/323058167.db2.gz UDLOHXUQTFHUHO-IUCAKERBSA-N 1 0 227.308 -0.151 20 70 BBIDRO [NH3+]CCCNC(=O)COC[C@H]1CCCO1 ZINC000160058392 323059115 /nfs/dbraw/zinc/05/91/15/323059115.db2.gz HPKRJSYIXRIWAN-SECBINFHSA-N 1 0 216.281 -0.353 20 70 BBIDRO [NH3+]CCCNC(=O)COC[C@@H]1CCCO1 ZINC000160058541 323059087 /nfs/dbraw/zinc/05/90/87/323059087.db2.gz HPKRJSYIXRIWAN-VIFPVBQESA-N 1 0 216.281 -0.353 20 70 BBIDRO CC[C@@H](C(=O)NCCC[NH3+])N1CCCC1=O ZINC000160063553 387041579 /nfs/dbraw/zinc/04/15/79/387041579.db2.gz WYWHEPSTBYZAAM-VIFPVBQESA-N 1 0 227.308 -0.148 20 70 BBIDRO CC[C@H](C(=O)NCCC[NH3+])N1CCCC1=O ZINC000160063683 171228389 /nfs/dbraw/zinc/22/83/89/171228389.db2.gz WYWHEPSTBYZAAM-SECBINFHSA-N 1 0 227.308 -0.148 20 70 BBIDRO COCC(=O)N[C@H](C(=O)NCCC[NH3+])C(C)C ZINC000160088759 174055673 /nfs/dbraw/zinc/05/56/73/174055673.db2.gz FOQJHUKLFOZPSZ-JTQLQIEISA-N 1 0 245.323 -0.761 20 70 BBIDRO COCCOCCC(=O)NCC(C)(C)[NH3+] ZINC000160093065 174348542 /nfs/dbraw/zinc/34/85/42/174348542.db2.gz FWJPALSQYKCCGO-UHFFFAOYSA-N 1 0 218.297 -0.107 20 70 BBIDRO C[NH2+]C1CCN(S(=O)(=O)NC(C)C)CC1 ZINC000160098281 173323681 /nfs/dbraw/zinc/32/36/81/173323681.db2.gz UZFQXGJQFWYNOZ-UHFFFAOYSA-N 1 0 235.353 -0.087 20 70 BBIDRO CCCNS(=O)(=O)N1CCC([NH2+]C)CC1 ZINC000160098437 169270589 /nfs/dbraw/zinc/27/05/89/169270589.db2.gz APVNKMTZQNVQSF-UHFFFAOYSA-N 1 0 235.353 -0.085 20 70 BBIDRO CC(C)[C@@H](C(=O)N[C@@H](C)C(N)=O)[NH+](C)C ZINC000160104333 345798385 /nfs/dbraw/zinc/79/83/85/345798385.db2.gz JSQZXSWEIQZHNM-YUMQZZPRSA-N 1 0 215.297 -0.437 20 70 BBIDRO CC(C)[C@@H](C(=O)N[C@H](C)C(N)=O)[NH+](C)C ZINC000160104449 345798535 /nfs/dbraw/zinc/79/85/35/345798535.db2.gz JSQZXSWEIQZHNM-SFYZADRCSA-N 1 0 215.297 -0.437 20 70 BBIDRO CC(C)([NH3+])CNC(=O)CN1CSCC1=O ZINC000160107439 187811401 /nfs/dbraw/zinc/81/14/01/187811401.db2.gz WBAKLDGJNUVORE-UHFFFAOYSA-N 1 0 231.321 -0.627 20 70 BBIDRO CCN1CCO[C@H](C(=O)NCCC[NH3+])C1 ZINC000160108718 170005046 /nfs/dbraw/zinc/00/50/46/170005046.db2.gz CUBBCGUAQVMXMY-VIFPVBQESA-N 1 0 215.297 -0.828 20 70 BBIDRO CCN1CCO[C@@H](C(=O)NCCC[NH3+])C1 ZINC000160108858 170002763 /nfs/dbraw/zinc/00/27/63/170002763.db2.gz CUBBCGUAQVMXMY-SECBINFHSA-N 1 0 215.297 -0.828 20 70 BBIDRO CCN1C[C@H](C(=O)NCC(C)(C)[NH3+])CC1=O ZINC000160110987 170032702 /nfs/dbraw/zinc/03/27/02/170032702.db2.gz HWAFFRJNQSLEAW-MRVPVSSYSA-N 1 0 227.308 -0.292 20 70 BBIDRO CCN1C[C@@H](C(=O)NCC(C)(C)[NH3+])CC1=O ZINC000160111097 170026708 /nfs/dbraw/zinc/02/67/08/170026708.db2.gz HWAFFRJNQSLEAW-QMMMGPOBSA-N 1 0 227.308 -0.292 20 70 BBIDRO C[NH2+][C@H]1CCCN(S(=O)(=O)NC(C)C)C1 ZINC000160111689 173462218 /nfs/dbraw/zinc/46/22/18/173462218.db2.gz CLONQCXGVXXSDW-VIFPVBQESA-N 1 0 235.353 -0.087 20 70 BBIDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)NC(C)C)C1 ZINC000160111807 388046011 /nfs/dbraw/zinc/04/60/11/388046011.db2.gz CLONQCXGVXXSDW-SECBINFHSA-N 1 0 235.353 -0.087 20 70 BBIDRO CCCNS(=O)(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000160111954 169270377 /nfs/dbraw/zinc/27/03/77/169270377.db2.gz SGLHANJHFLDWOB-VIFPVBQESA-N 1 0 235.353 -0.085 20 70 BBIDRO CCCNS(=O)(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000160112087 169270908 /nfs/dbraw/zinc/27/09/08/169270908.db2.gz SGLHANJHFLDWOB-SECBINFHSA-N 1 0 235.353 -0.085 20 70 BBIDRO [NH3+]CCCNC(=O)CNC(=O)c1cccs1 ZINC000160113983 181381429 /nfs/dbraw/zinc/38/14/29/181381429.db2.gz RTAZAWJTQMXMCY-UHFFFAOYSA-N 1 0 241.316 -0.057 20 70 BBIDRO CC(C)NS(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000160115754 167125958 /nfs/dbraw/zinc/12/59/58/167125958.db2.gz XJJHFLGJGFDQTJ-BDAKNGLRSA-N 1 0 235.353 -0.102 20 70 BBIDRO CC(C)NS(=O)(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000160115898 167126649 /nfs/dbraw/zinc/12/66/49/167126649.db2.gz XJJHFLGJGFDQTJ-IUCAKERBSA-N 1 0 235.353 -0.102 20 70 BBIDRO CCCNS(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000160116084 169270922 /nfs/dbraw/zinc/27/09/22/169270922.db2.gz KCCLVLWABSWIJQ-BDAKNGLRSA-N 1 0 235.353 -0.100 20 70 BBIDRO C[C@H](NC(=O)c1ccco1)C(=O)NCCC[NH3+] ZINC000160116179 384384162 /nfs/dbraw/zinc/38/41/62/384384162.db2.gz OJMLHDKXMVUACO-QMMMGPOBSA-N 1 0 239.275 -0.137 20 70 BBIDRO CCCNS(=O)(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000160116220 169270328 /nfs/dbraw/zinc/27/03/28/169270328.db2.gz KCCLVLWABSWIJQ-RKDXNWHRSA-N 1 0 235.353 -0.100 20 70 BBIDRO C[C@@H](NC(=O)c1ccco1)C(=O)NCCC[NH3+] ZINC000160116303 384383926 /nfs/dbraw/zinc/38/39/26/384383926.db2.gz OJMLHDKXMVUACO-MRVPVSSYSA-N 1 0 239.275 -0.137 20 70 BBIDRO CCNS(=O)(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000160119034 487539902 /nfs/dbraw/zinc/53/99/02/487539902.db2.gz WXEMCXPNBNOKFX-BDAKNGLRSA-N 1 0 235.353 -0.100 20 70 BBIDRO CCNS(=O)(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000160119166 488107781 /nfs/dbraw/zinc/10/77/81/488107781.db2.gz WXEMCXPNBNOKFX-IUCAKERBSA-N 1 0 235.353 -0.100 20 70 BBIDRO [NH3+]CCCNC(=O)CN1CCCCC1=O ZINC000160123031 181381215 /nfs/dbraw/zinc/38/12/15/181381215.db2.gz ZKBPDOMFXSTERV-UHFFFAOYSA-N 1 0 213.281 -0.536 20 70 BBIDRO [NH3+]CCCNC(=O)c1cn2cccnc2n1 ZINC000160124029 345486289 /nfs/dbraw/zinc/48/62/89/345486289.db2.gz YCNWLQVWHSFXMS-UHFFFAOYSA-N 1 0 219.248 -0.192 20 70 BBIDRO CC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160130643 346442053 /nfs/dbraw/zinc/44/20/53/346442053.db2.gz FIVGAGJRBZFWKG-JTQLQIEISA-N 1 0 200.282 -0.031 20 70 BBIDRO CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160130789 323060942 /nfs/dbraw/zinc/06/09/42/323060942.db2.gz FIVGAGJRBZFWKG-SNVBAGLBSA-N 1 0 200.282 -0.031 20 70 BBIDRO CCCNS(=O)(=O)NC(C)(C)C[NH3+] ZINC000160134617 169271563 /nfs/dbraw/zinc/27/15/63/169271563.db2.gz QCSWTPMZEKIECL-UHFFFAOYSA-N 1 0 209.315 -0.442 20 70 BBIDRO C[NH2+]C[C@H](C)CNS(=O)(=O)C1CC1 ZINC000160139376 345804577 /nfs/dbraw/zinc/80/45/77/345804577.db2.gz IQGRCRUAKBKKFE-ZETCQYMHSA-N 1 0 206.311 -0.076 20 70 BBIDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)C1CC1 ZINC000160139520 388047851 /nfs/dbraw/zinc/04/78/51/388047851.db2.gz IQGRCRUAKBKKFE-SSDOTTSWSA-N 1 0 206.311 -0.076 20 70 BBIDRO C[NH2+]C[C@H](C)CNS(=O)(=O)N(C)C ZINC000160140011 388048346 /nfs/dbraw/zinc/04/83/46/388048346.db2.gz ILRRLFZVGXMAKZ-ZETCQYMHSA-N 1 0 209.315 -0.762 20 70 BBIDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)N(C)C ZINC000160140174 361299630 /nfs/dbraw/zinc/29/96/30/361299630.db2.gz ILRRLFZVGXMAKZ-SSDOTTSWSA-N 1 0 209.315 -0.762 20 70 BBIDRO COCCS(=O)(=O)NCC(C)(C)[NH3+] ZINC000160141583 174371881 /nfs/dbraw/zinc/37/18/81/174371881.db2.gz GQKVJOUOWJYWKL-UHFFFAOYSA-N 1 0 210.299 -0.711 20 70 BBIDRO CCN(CC)S(=O)(=O)NCC(C)(C)[NH3+] ZINC000160142372 361300574 /nfs/dbraw/zinc/30/05/74/361300574.db2.gz PZXGOBSWTZOKFS-UHFFFAOYSA-N 1 0 223.342 -0.100 20 70 BBIDRO Cn1nccc1/C=C/C(=O)NCCC[NH3+] ZINC000160142517 180829770 /nfs/dbraw/zinc/82/97/70/180829770.db2.gz YSOWDYZTNNZAJL-ONEGZZNKSA-N 1 0 208.265 -0.102 20 70 BBIDRO CCN(CC[NH3+])S(=O)(=O)NC(C)C ZINC000160143457 353302777 /nfs/dbraw/zinc/30/27/77/353302777.db2.gz JRGVKRGLPGYNPJ-UHFFFAOYSA-N 1 0 209.315 -0.490 20 70 BBIDRO CCCNS(=O)(=O)N(CC)CC[NH3+] ZINC000160143598 353302768 /nfs/dbraw/zinc/30/27/68/353302768.db2.gz MKSDPUGPFDHYTF-UHFFFAOYSA-N 1 0 209.315 -0.489 20 70 BBIDRO Cn1c2ccc(C(=O)NCCC[NH3+])cc2[nH]c1=O ZINC000160153155 345487130 /nfs/dbraw/zinc/48/71/30/345487130.db2.gz NRZJRGYUVGGNNU-UHFFFAOYSA-N 1 0 248.286 -0.055 20 70 BBIDRO CC(C)NS(=O)(=O)N[C@@H](C)CC[NH3+] ZINC000160163811 384645645 /nfs/dbraw/zinc/64/56/45/384645645.db2.gz CHXVNFPZBJEENZ-ZETCQYMHSA-N 1 0 209.315 -0.444 20 70 BBIDRO CC(C)NS(=O)(=O)N[C@H](C)CC[NH3+] ZINC000160163946 388050513 /nfs/dbraw/zinc/05/05/13/388050513.db2.gz CHXVNFPZBJEENZ-SSDOTTSWSA-N 1 0 209.315 -0.444 20 70 BBIDRO CCCNS(=O)(=O)N[C@@H](C)CC[NH3+] ZINC000160164093 388050317 /nfs/dbraw/zinc/05/03/17/388050317.db2.gz LGISUEUZTJOWNI-ZETCQYMHSA-N 1 0 209.315 -0.442 20 70 BBIDRO CCCNS(=O)(=O)N[C@H](C)CC[NH3+] ZINC000160164228 388049682 /nfs/dbraw/zinc/04/96/82/388049682.db2.gz LGISUEUZTJOWNI-SSDOTTSWSA-N 1 0 209.315 -0.442 20 70 BBIDRO CC(C)NS(=O)(=O)NCCCC[NH3+] ZINC000160167243 167126141 /nfs/dbraw/zinc/12/61/41/167126141.db2.gz MAOHVXJBTRBYTK-UHFFFAOYSA-N 1 0 209.315 -0.442 20 70 BBIDRO CCCNS(=O)(=O)NCCCC[NH3+] ZINC000160167391 384390992 /nfs/dbraw/zinc/39/09/92/384390992.db2.gz TYBJFHBOCYKDRV-UHFFFAOYSA-N 1 0 209.315 -0.441 20 70 BBIDRO CC(C)NS(=O)(=O)NC[C@@H](C)C[NH3+] ZINC000160168825 388049110 /nfs/dbraw/zinc/04/91/10/388049110.db2.gz BENUHOXNHMGLET-ZETCQYMHSA-N 1 0 209.315 -0.586 20 70 BBIDRO CC(C)NS(=O)(=O)NC[C@H](C)C[NH3+] ZINC000160168965 134799861 /nfs/dbraw/zinc/79/98/61/134799861.db2.gz BENUHOXNHMGLET-SSDOTTSWSA-N 1 0 209.315 -0.586 20 70 BBIDRO CCCNS(=O)(=O)NC[C@@H](C)C[NH3+] ZINC000160169098 345807524 /nfs/dbraw/zinc/80/75/24/345807524.db2.gz VWMUMZKTLUPJSV-ZETCQYMHSA-N 1 0 209.315 -0.585 20 70 BBIDRO CCCNS(=O)(=O)NC[C@H](C)C[NH3+] ZINC000160169214 388049601 /nfs/dbraw/zinc/04/96/01/388049601.db2.gz VWMUMZKTLUPJSV-SSDOTTSWSA-N 1 0 209.315 -0.585 20 70 BBIDRO CC[C@@H](C(=O)N[C@@H](C)C(N)=O)[NH+](C)C ZINC000160181293 387063322 /nfs/dbraw/zinc/06/33/22/387063322.db2.gz DDORIQQOEYNLGQ-BQBZGAKWSA-N 1 0 201.270 -0.683 20 70 BBIDRO CC[C@H](C(=O)N[C@@H](C)C(N)=O)[NH+](C)C ZINC000160181428 171231610 /nfs/dbraw/zinc/23/16/10/171231610.db2.gz DDORIQQOEYNLGQ-NKWVEPMBSA-N 1 0 201.270 -0.683 20 70 BBIDRO CC[C@@H](C(=O)N[C@H](C)C(N)=O)[NH+](C)C ZINC000160181544 323062726 /nfs/dbraw/zinc/06/27/26/323062726.db2.gz DDORIQQOEYNLGQ-RQJHMYQMSA-N 1 0 201.270 -0.683 20 70 BBIDRO CCCNS(=O)(=O)N(C)[C@@H](C)C[NH3+] ZINC000160181658 361301544 /nfs/dbraw/zinc/30/15/44/361301544.db2.gz NZCUXYYUDCQAKS-ZETCQYMHSA-N 1 0 209.315 -0.490 20 70 BBIDRO CC[C@H](C(=O)N[C@H](C)C(N)=O)[NH+](C)C ZINC000160181684 323062946 /nfs/dbraw/zinc/06/29/46/323062946.db2.gz DDORIQQOEYNLGQ-RNFRBKRXSA-N 1 0 201.270 -0.683 20 70 BBIDRO CCCNS(=O)(=O)N(C)[C@H](C)C[NH3+] ZINC000160181816 134800698 /nfs/dbraw/zinc/80/06/98/134800698.db2.gz NZCUXYYUDCQAKS-SSDOTTSWSA-N 1 0 209.315 -0.490 20 70 BBIDRO CC(C)NS(=O)(=O)N[C@@H](C[NH3+])C1CC1 ZINC000160184669 167127974 /nfs/dbraw/zinc/12/79/74/167127974.db2.gz SCDBXZWFJMDDCC-QMMMGPOBSA-N 1 0 221.326 -0.444 20 70 BBIDRO CC(C)NS(=O)(=O)N[C@H](C[NH3+])C1CC1 ZINC000160184793 167127675 /nfs/dbraw/zinc/12/76/75/167127675.db2.gz SCDBXZWFJMDDCC-MRVPVSSYSA-N 1 0 221.326 -0.444 20 70 BBIDRO CCCNS(=O)(=O)N[C@@H](C[NH3+])C1CC1 ZINC000160184950 169271583 /nfs/dbraw/zinc/27/15/83/169271583.db2.gz GZZJIPASADYHKU-QMMMGPOBSA-N 1 0 221.326 -0.442 20 70 BBIDRO CCCNS(=O)(=O)N[C@H](C[NH3+])C1CC1 ZINC000160185060 169272373 /nfs/dbraw/zinc/27/23/73/169272373.db2.gz GZZJIPASADYHKU-MRVPVSSYSA-N 1 0 221.326 -0.442 20 70 BBIDRO CC(C)[C@H](C(=O)N[C@@H](C)C(N)=O)[NH+](C)C ZINC000160221603 384663027 /nfs/dbraw/zinc/66/30/27/384663027.db2.gz JSQZXSWEIQZHNM-JGVFFNPUSA-N 1 0 215.297 -0.437 20 70 BBIDRO CC(C)[C@H](C(=O)N[C@H](C)C(N)=O)[NH+](C)C ZINC000160221758 384663280 /nfs/dbraw/zinc/66/32/80/384663280.db2.gz JSQZXSWEIQZHNM-HTQZYQBOSA-N 1 0 215.297 -0.437 20 70 BBIDRO [NH3+][C@@H]1CCN(C(=O)COC[C@H]2CCCO2)C1 ZINC000160231672 488116886 /nfs/dbraw/zinc/11/68/86/488116886.db2.gz LMJDVSFSIXSCHB-NXEZZACHSA-N 1 0 228.292 -0.258 20 70 BBIDRO [NH3+][C@@H]1CCN(C(=O)COC[C@@H]2CCCO2)C1 ZINC000160231794 487596532 /nfs/dbraw/zinc/59/65/32/487596532.db2.gz LMJDVSFSIXSCHB-ZJUUUORDSA-N 1 0 228.292 -0.258 20 70 BBIDRO CC[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)N1CCCC1=O ZINC000160237133 187358188 /nfs/dbraw/zinc/35/81/88/187358188.db2.gz XLXIAMRDZLXUTB-ZJUUUORDSA-N 1 0 239.319 -0.053 20 70 BBIDRO CC[C@H](C(=O)N1CC[C@@H]([NH3+])C1)N1CCCC1=O ZINC000160237271 171226439 /nfs/dbraw/zinc/22/64/39/171226439.db2.gz XLXIAMRDZLXUTB-NXEZZACHSA-N 1 0 239.319 -0.053 20 70 BBIDRO C[NH2+]CCCNS(=O)(=O)NC(C)C ZINC000160247415 173349823 /nfs/dbraw/zinc/34/98/23/173349823.db2.gz MRIBPGCBXCJVBH-UHFFFAOYSA-N 1 0 209.315 -0.572 20 70 BBIDRO CCOCCO[C@@H](C)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160274229 387072790 /nfs/dbraw/zinc/07/27/90/387072790.db2.gz ISEDAHKVEOSHHN-VHSXEESVSA-N 1 0 230.308 -0.012 20 70 BBIDRO CCOCCO[C@H](C)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160274359 387072732 /nfs/dbraw/zinc/07/27/32/387072732.db2.gz ISEDAHKVEOSHHN-NXEZZACHSA-N 1 0 230.308 -0.012 20 70 BBIDRO [NH3+][C@@H]1CCN(C(=O)CN2CCCCC2=O)C1 ZINC000160287386 386447629 /nfs/dbraw/zinc/44/76/29/386447629.db2.gz GQKOFJCJBSVTMV-SECBINFHSA-N 1 0 225.292 -0.442 20 70 BBIDRO [NH3+]C[C@H]1CCCN1C(=O)CN1CCCCC1=O ZINC000160319700 387082718 /nfs/dbraw/zinc/08/27/18/387082718.db2.gz SCHHFZCVFNCUIP-SNVBAGLBSA-N 1 0 239.319 -0.051 20 70 BBIDRO [NH3+]C[C@@H]1CCCN1C(=O)CN1CCCCC1=O ZINC000160319792 387083224 /nfs/dbraw/zinc/08/32/24/387083224.db2.gz SCHHFZCVFNCUIP-JTQLQIEISA-N 1 0 239.319 -0.051 20 70 BBIDRO C[C@@H](NC(N)=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160366686 387083022 /nfs/dbraw/zinc/08/30/22/387083022.db2.gz OAGOSYDRCDYHLJ-HLTSFMKQSA-N 1 0 240.307 -0.604 20 70 BBIDRO CCC([NH3+])(CC)CNC(=O)C(=O)NC1CC1 ZINC000160421659 388065156 /nfs/dbraw/zinc/06/51/56/388065156.db2.gz XZDUTZOAFKASSA-UHFFFAOYSA-N 1 0 227.308 -0.101 20 70 BBIDRO C[C@H]([NH3+])C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000160437228 383839532 /nfs/dbraw/zinc/83/95/32/383839532.db2.gz NHJJZWKJFMENNF-ZETCQYMHSA-N 1 0 211.265 -0.833 20 70 BBIDRO CC(C)NS(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000160474188 488137354 /nfs/dbraw/zinc/13/73/54/488137354.db2.gz YYQMISDFKRYRHE-VIFPVBQESA-N 1 0 235.353 -0.039 20 70 BBIDRO CC(C)NS(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000160474311 488137338 /nfs/dbraw/zinc/13/73/38/488137338.db2.gz YYQMISDFKRYRHE-SECBINFHSA-N 1 0 235.353 -0.039 20 70 BBIDRO CCCNS(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000160474734 488137277 /nfs/dbraw/zinc/13/72/77/488137277.db2.gz CCARMRGPNVQSJZ-VIFPVBQESA-N 1 0 235.353 -0.038 20 70 BBIDRO CCCNS(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000160474869 488136561 /nfs/dbraw/zinc/13/65/61/488136561.db2.gz CCARMRGPNVQSJZ-SECBINFHSA-N 1 0 235.353 -0.038 20 70 BBIDRO CC(C)NS(=O)(=O)NCC1CC[NH2+]CC1 ZINC000160475576 343203604 /nfs/dbraw/zinc/20/36/04/343203604.db2.gz KIYSVDPPMPMKEJ-UHFFFAOYSA-N 1 0 235.353 -0.182 20 70 BBIDRO CCCNS(=O)(=O)NCC1CC[NH2+]CC1 ZINC000160475862 488137124 /nfs/dbraw/zinc/13/71/24/488137124.db2.gz NCNRROHMRKKJMF-UHFFFAOYSA-N 1 0 235.353 -0.180 20 70 BBIDRO CC(C)NS(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000160476303 167127362 /nfs/dbraw/zinc/12/73/62/167127362.db2.gz QVNYAYYOEBTBBM-SECBINFHSA-N 1 0 235.353 -0.182 20 70 BBIDRO CC(C)NS(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000160476412 167128529 /nfs/dbraw/zinc/12/85/29/167128529.db2.gz QVNYAYYOEBTBBM-VIFPVBQESA-N 1 0 235.353 -0.182 20 70 BBIDRO CCCNS(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000160476820 169271346 /nfs/dbraw/zinc/27/13/46/169271346.db2.gz SEQQMQXWTCSPGV-SECBINFHSA-N 1 0 235.353 -0.180 20 70 BBIDRO CCCNS(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000160476959 169271975 /nfs/dbraw/zinc/27/19/75/169271975.db2.gz SEQQMQXWTCSPGV-VIFPVBQESA-N 1 0 235.353 -0.180 20 70 BBIDRO CC[C@](C)(O)C[N@H+](C)CC(=O)N1CCOCC1 ZINC000160482550 387097558 /nfs/dbraw/zinc/09/75/58/387097558.db2.gz IMIGODFMFRZXES-LBPRGKRZSA-N 1 0 244.335 -0.062 20 70 BBIDRO CC[C@@](C)(O)C[N@H+](C)CC(=O)N1CCOCC1 ZINC000160482678 171177766 /nfs/dbraw/zinc/17/77/66/171177766.db2.gz IMIGODFMFRZXES-GFCCVEGCSA-N 1 0 244.335 -0.062 20 70 BBIDRO CCNS(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000160486852 488138203 /nfs/dbraw/zinc/13/82/03/488138203.db2.gz UZBWSUHJPKDNKR-UHFFFAOYSA-N 1 0 235.353 -0.180 20 70 BBIDRO C[NH2+][C@H]1CCN(C(=O)C(C)(C)NC(=O)OC)C1 ZINC000160491771 323069346 /nfs/dbraw/zinc/06/93/46/323069346.db2.gz CWNZQVWANVHJMQ-QMMMGPOBSA-N 1 0 243.307 -0.059 20 70 BBIDRO C[NH2+][C@@H]1CCN(C(=O)C(C)(C)NC(=O)OC)C1 ZINC000160491920 323069433 /nfs/dbraw/zinc/06/94/33/323069433.db2.gz CWNZQVWANVHJMQ-MRVPVSSYSA-N 1 0 243.307 -0.059 20 70 BBIDRO CC(C)NS(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000160496162 167127726 /nfs/dbraw/zinc/12/77/26/167127726.db2.gz IVLMASCXSUFRQO-BDAKNGLRSA-N 1 0 235.353 -0.183 20 70 BBIDRO CC(C)NS(=O)(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000160496309 167127302 /nfs/dbraw/zinc/12/73/02/167127302.db2.gz IVLMASCXSUFRQO-IUCAKERBSA-N 1 0 235.353 -0.183 20 70 BBIDRO CC(C)NS(=O)(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000160496424 167128578 /nfs/dbraw/zinc/12/85/78/167128578.db2.gz IVLMASCXSUFRQO-RKDXNWHRSA-N 1 0 235.353 -0.183 20 70 BBIDRO CC(C)NS(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000160496547 167127668 /nfs/dbraw/zinc/12/76/68/167127668.db2.gz IVLMASCXSUFRQO-DTWKUNHWSA-N 1 0 235.353 -0.183 20 70 BBIDRO CCCNS(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000160497205 169272935 /nfs/dbraw/zinc/27/29/35/169272935.db2.gz LAGCCKGKMVHJAG-DTWKUNHWSA-N 1 0 235.353 -0.182 20 70 BBIDRO CCCNS(=O)(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000160497340 169272984 /nfs/dbraw/zinc/27/29/84/169272984.db2.gz LAGCCKGKMVHJAG-IUCAKERBSA-N 1 0 235.353 -0.182 20 70 BBIDRO CCCNS(=O)(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000160497475 169272309 /nfs/dbraw/zinc/27/23/09/169272309.db2.gz LAGCCKGKMVHJAG-RKDXNWHRSA-N 1 0 235.353 -0.182 20 70 BBIDRO CCCNS(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000160497612 169272831 /nfs/dbraw/zinc/27/28/31/169272831.db2.gz LAGCCKGKMVHJAG-BDAKNGLRSA-N 1 0 235.353 -0.182 20 70 BBIDRO CC(C)NS(=O)(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000160499211 167128227 /nfs/dbraw/zinc/12/82/27/167128227.db2.gz QCDOVVDCEIKPPV-RKDXNWHRSA-N 1 0 235.353 -0.041 20 70 BBIDRO CCCNS(=O)(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000160500236 169272236 /nfs/dbraw/zinc/27/22/36/169272236.db2.gz AQILWWMHAWZLNY-RKDXNWHRSA-N 1 0 235.353 -0.039 20 70 BBIDRO CCCNS(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000160503385 169272976 /nfs/dbraw/zinc/27/29/76/169272976.db2.gz HVGWDRGAQLJODM-DTWKUNHWSA-N 1 0 235.353 -0.182 20 70 BBIDRO CCCNS(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000160503506 169272881 /nfs/dbraw/zinc/27/28/81/169272881.db2.gz HVGWDRGAQLJODM-IUCAKERBSA-N 1 0 235.353 -0.182 20 70 BBIDRO CCCNS(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000160503626 169272473 /nfs/dbraw/zinc/27/24/73/169272473.db2.gz HVGWDRGAQLJODM-RKDXNWHRSA-N 1 0 235.353 -0.182 20 70 BBIDRO CCCNS(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000160503761 169272189 /nfs/dbraw/zinc/27/21/89/169272189.db2.gz HVGWDRGAQLJODM-BDAKNGLRSA-N 1 0 235.353 -0.182 20 70 BBIDRO CC(C)NS(=O)(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000160508163 346383537 /nfs/dbraw/zinc/38/35/37/346383537.db2.gz PUPCJXCBAMAKKK-BDAKNGLRSA-N 1 0 235.353 -0.041 20 70 BBIDRO CC(C)NS(=O)(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000160508293 357018722 /nfs/dbraw/zinc/01/87/22/357018722.db2.gz PUPCJXCBAMAKKK-IUCAKERBSA-N 1 0 235.353 -0.041 20 70 BBIDRO CC(C)NS(=O)(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000160508405 346383671 /nfs/dbraw/zinc/38/36/71/346383671.db2.gz PUPCJXCBAMAKKK-RKDXNWHRSA-N 1 0 235.353 -0.041 20 70 BBIDRO CC(C)NS(=O)(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000160508523 346383447 /nfs/dbraw/zinc/38/34/47/346383447.db2.gz PUPCJXCBAMAKKK-DTWKUNHWSA-N 1 0 235.353 -0.041 20 70 BBIDRO CCCNS(=O)(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000160509172 346383490 /nfs/dbraw/zinc/38/34/90/346383490.db2.gz NHLNPXXYUDOAFL-DTWKUNHWSA-N 1 0 235.353 -0.039 20 70 BBIDRO CCCNS(=O)(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000160509301 346383624 /nfs/dbraw/zinc/38/36/24/346383624.db2.gz NHLNPXXYUDOAFL-IUCAKERBSA-N 1 0 235.353 -0.039 20 70 BBIDRO CCCNS(=O)(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000160509424 346383583 /nfs/dbraw/zinc/38/35/83/346383583.db2.gz NHLNPXXYUDOAFL-RKDXNWHRSA-N 1 0 235.353 -0.039 20 70 BBIDRO CCCNS(=O)(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000160509531 346383463 /nfs/dbraw/zinc/38/34/63/346383463.db2.gz NHLNPXXYUDOAFL-BDAKNGLRSA-N 1 0 235.353 -0.039 20 70 BBIDRO CCCNS(=O)(=O)N(C)CC[NH2+]C ZINC000160514890 169270388 /nfs/dbraw/zinc/27/03/88/169270388.db2.gz LVPYHNUQSRJGDK-UHFFFAOYSA-N 1 0 209.315 -0.618 20 70 BBIDRO C[NH2+]CCN(C)S(=O)(=O)NC(C)C ZINC000160515452 342771925 /nfs/dbraw/zinc/77/19/25/342771925.db2.gz HUWKKCPIMDKZRB-UHFFFAOYSA-N 1 0 209.315 -0.620 20 70 BBIDRO CCCNS(=O)(=O)N1CC[NH2+]C(C)(C)C1 ZINC000160515884 323069888 /nfs/dbraw/zinc/06/98/88/323069888.db2.gz NWBMDMJBKJPXNS-UHFFFAOYSA-N 1 0 235.353 -0.085 20 70 BBIDRO CC(C)NS(=O)(=O)N1CC[NH2+]C(C)(C)C1 ZINC000160516448 323069832 /nfs/dbraw/zinc/06/98/32/323069832.db2.gz XMKCQLBTDWBDQC-UHFFFAOYSA-N 1 0 235.353 -0.087 20 70 BBIDRO CCCNS(=O)(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000160517252 169270970 /nfs/dbraw/zinc/27/09/70/169270970.db2.gz JUTMXJDFMIOEAX-BDAKNGLRSA-N 1 0 235.353 -0.087 20 70 BBIDRO CC(C)NS(=O)(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000160518418 167126485 /nfs/dbraw/zinc/12/64/85/167126485.db2.gz HCROSGPXEMGVAD-RKDXNWHRSA-N 1 0 235.353 -0.089 20 70 BBIDRO CC(C)NS(=O)(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000160518561 167125257 /nfs/dbraw/zinc/12/52/57/167125257.db2.gz HCROSGPXEMGVAD-BDAKNGLRSA-N 1 0 235.353 -0.089 20 70 BBIDRO CC(C)NS(=O)(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000160518687 167126393 /nfs/dbraw/zinc/12/63/93/167126393.db2.gz HCROSGPXEMGVAD-DTWKUNHWSA-N 1 0 235.353 -0.089 20 70 BBIDRO COCCS(=O)(=O)NCC1=CC[NH2+]CC1 ZINC000160518739 174372345 /nfs/dbraw/zinc/37/23/45/174372345.db2.gz WBASZTXHFDJGQA-UHFFFAOYSA-N 1 0 234.321 -0.528 20 70 BBIDRO CC(C)NS(=O)(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000160518818 167126134 /nfs/dbraw/zinc/12/61/34/167126134.db2.gz HCROSGPXEMGVAD-IUCAKERBSA-N 1 0 235.353 -0.089 20 70 BBIDRO CC(=O)NCC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000160530690 188007098 /nfs/dbraw/zinc/00/70/98/188007098.db2.gz SBCRPFLSYALMQM-CBAPKCEASA-N 1 0 213.281 -0.621 20 70 BBIDRO C[NH+](C)CCNC(=O)N[C@@H]1CCOC1 ZINC000160539218 388073437 /nfs/dbraw/zinc/07/34/37/388073437.db2.gz GDRHAKPNDWUSJE-MRVPVSSYSA-N 1 0 201.270 -0.364 20 70 BBIDRO C[NH+](C)CCNC(=O)N[C@H]1CCOC1 ZINC000160539347 388073681 /nfs/dbraw/zinc/07/36/81/388073681.db2.gz GDRHAKPNDWUSJE-QMMMGPOBSA-N 1 0 201.270 -0.364 20 70 BBIDRO COCCS(=O)(=O)NC1(C)CC[NH2+]CC1 ZINC000160579862 357084673 /nfs/dbraw/zinc/08/46/73/357084673.db2.gz OBDMACTUVZZMQP-UHFFFAOYSA-N 1 0 236.337 -0.306 20 70 BBIDRO C[NH2+][C@@H]1CCN(C(=O)Cn2ccccc2=O)C1 ZINC000160654356 349282047 /nfs/dbraw/zinc/28/20/47/349282047.db2.gz BRNYOJWIKQAFDU-SNVBAGLBSA-N 1 0 235.287 -0.331 20 70 BBIDRO C[NH2+][C@H]1CCN(C(=O)Cn2ccccc2=O)C1 ZINC000160654485 349281977 /nfs/dbraw/zinc/28/19/77/349281977.db2.gz BRNYOJWIKQAFDU-JTQLQIEISA-N 1 0 235.287 -0.331 20 70 BBIDRO O=C([C@H]1CCC(=O)N1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160658019 349283431 /nfs/dbraw/zinc/28/34/31/349283431.db2.gz FFQOFVOIGBKUSN-KXUCPTDWSA-N 1 0 237.303 -0.382 20 70 BBIDRO CC[NH+]1CCN(Cc2nncn2C)CC1 ZINC000160669343 323101652 /nfs/dbraw/zinc/10/16/52/323101652.db2.gz OUXRKPRCATUIGJ-UHFFFAOYSA-N 1 0 209.297 -0.047 20 70 BBIDRO CC(=O)N(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160689215 387512067 /nfs/dbraw/zinc/51/20/67/387512067.db2.gz KARPCDWMOMGVIT-PHIMTYICSA-N 1 0 239.319 -0.182 20 70 BBIDRO COCC(=O)NCC1CC[NH+](CCO)CC1 ZINC000160698032 174049725 /nfs/dbraw/zinc/04/97/25/174049725.db2.gz XMOMHWFBMULGRS-UHFFFAOYSA-N 1 0 230.308 -0.547 20 70 BBIDRO CCCC(=O)NCC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160704167 388085709 /nfs/dbraw/zinc/08/57/09/388085709.db2.gz JNVDEFILLWCUHU-VIFPVBQESA-N 1 0 227.308 -0.277 20 70 BBIDRO CCCC(=O)NCC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000160704279 201732532 /nfs/dbraw/zinc/73/25/32/201732532.db2.gz JNVDEFILLWCUHU-SECBINFHSA-N 1 0 227.308 -0.277 20 70 BBIDRO C[N@H+](CC(=O)N1CC(O)C1)[C@@H]1CCSC1 ZINC000160707211 323103767 /nfs/dbraw/zinc/10/37/67/323103767.db2.gz GPNTVSFQMMKBKZ-MRVPVSSYSA-N 1 0 230.333 -0.373 20 70 BBIDRO C[N@H+](CC(=O)N1CC(O)C1)[C@H]1CCSC1 ZINC000160707338 323103805 /nfs/dbraw/zinc/10/38/05/323103805.db2.gz GPNTVSFQMMKBKZ-QMMMGPOBSA-N 1 0 230.333 -0.373 20 70 BBIDRO CC[N@H+](CCCO)[C@@H](C)C(=O)NC(N)=O ZINC000160731958 169835622 /nfs/dbraw/zinc/83/56/22/169835622.db2.gz NEISPQCWXPYFRK-ZETCQYMHSA-N 1 0 217.269 -0.726 20 70 BBIDRO CC[N@H+](CCCO)[C@H](C)C(=O)NC(N)=O ZINC000160732072 388087076 /nfs/dbraw/zinc/08/70/76/388087076.db2.gz NEISPQCWXPYFRK-SSDOTTSWSA-N 1 0 217.269 -0.726 20 70 BBIDRO O=C(Cn1cnnn1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160741756 349315722 /nfs/dbraw/zinc/31/57/22/349315722.db2.gz VYHXADWIDYJBJI-DTORHVGOSA-N 1 0 236.279 -0.974 20 70 BBIDRO O=C([C@@H]1COCCN1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160743517 349316464 /nfs/dbraw/zinc/31/64/64/349316464.db2.gz NSKTZHFWHXMPFX-AXFHLTTASA-N 1 0 239.319 -0.672 20 70 BBIDRO CC[C@](C)(O)C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000160749352 387515218 /nfs/dbraw/zinc/51/52/18/387515218.db2.gz PPCHFCTXUGKXOD-WPRPVWTQSA-N 1 0 216.281 -0.667 20 70 BBIDRO CC[C@@](C)(O)C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000160749446 387515762 /nfs/dbraw/zinc/51/57/62/387515762.db2.gz PPCHFCTXUGKXOD-WCBMZHEXSA-N 1 0 216.281 -0.667 20 70 BBIDRO C[NH2+][C@@H]1CCN(C(=O)CN2CSCC2=O)C1 ZINC000160780979 384437034 /nfs/dbraw/zinc/43/70/34/384437034.db2.gz ZSDWAGIXWQGVBV-MRVPVSSYSA-N 1 0 243.332 -0.660 20 70 BBIDRO C[NH2+][C@H]1CCN(C(=O)CN2CSCC2=O)C1 ZINC000160781109 349318864 /nfs/dbraw/zinc/31/88/64/349318864.db2.gz ZSDWAGIXWQGVBV-QMMMGPOBSA-N 1 0 243.332 -0.660 20 70 BBIDRO CCOC(=O)[C@@H](C)CNC(=O)[C@H](C)[NH3+] ZINC000160799641 170245387 /nfs/dbraw/zinc/24/53/87/170245387.db2.gz RTCDIRTUWMEUBS-BQBZGAKWSA-N 1 0 202.254 -0.351 20 70 BBIDRO CCOC(=O)[C@H](C)CNC(=O)[C@H](C)[NH3+] ZINC000160799765 170264823 /nfs/dbraw/zinc/26/48/23/170264823.db2.gz RTCDIRTUWMEUBS-RQJHMYQMSA-N 1 0 202.254 -0.351 20 70 BBIDRO CCOC(=O)[C@@H](C)CNC(=O)[C@@H](C)[NH3+] ZINC000160800449 361328273 /nfs/dbraw/zinc/32/82/73/361328273.db2.gz RTCDIRTUWMEUBS-NKWVEPMBSA-N 1 0 202.254 -0.351 20 70 BBIDRO CCOC(=O)[C@H](C)CNC(=O)[C@@H](C)[NH3+] ZINC000160800547 353273238 /nfs/dbraw/zinc/27/32/38/353273238.db2.gz RTCDIRTUWMEUBS-RNFRBKRXSA-N 1 0 202.254 -0.351 20 70 BBIDRO COC(=O)C(C)(C)CNC(=O)[C@H](C)[NH3+] ZINC000160808597 388091203 /nfs/dbraw/zinc/09/12/03/388091203.db2.gz VWJDFYFIEIVCDX-LURJTMIESA-N 1 0 202.254 -0.351 20 70 BBIDRO COCC[N@H+](CCO)CCn1ccnc1 ZINC000160808707 174292703 /nfs/dbraw/zinc/29/27/03/174292703.db2.gz KYSUFBCWTSJJIB-UHFFFAOYSA-N 1 0 213.281 -0.176 20 70 BBIDRO COC(=O)C(C)(C)CNC(=O)[C@@H](C)[NH3+] ZINC000160808889 349326816 /nfs/dbraw/zinc/32/68/16/349326816.db2.gz VWJDFYFIEIVCDX-ZCFIWIBFSA-N 1 0 202.254 -0.351 20 70 BBIDRO CNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C1CC1 ZINC000160809658 358721035 /nfs/dbraw/zinc/72/10/35/358721035.db2.gz JUDRVAQDVXRKNF-CBAPKCEASA-N 1 0 243.307 -0.467 20 70 BBIDRO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C1CC1 ZINC000160809800 346465243 /nfs/dbraw/zinc/46/52/43/346465243.db2.gz JUDRVAQDVXRKNF-APPZFPTMSA-N 1 0 243.307 -0.467 20 70 BBIDRO CC(C)NS(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000160814388 349327568 /nfs/dbraw/zinc/32/75/68/349327568.db2.gz ZRZUPBFNJWWOPC-DTWKUNHWSA-N 1 0 233.337 -0.477 20 70 BBIDRO CCNS(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000160814652 361329662 /nfs/dbraw/zinc/32/96/62/361329662.db2.gz STYJDWFFADIXHD-JGVFFNPUSA-N 1 0 219.310 -0.866 20 70 BBIDRO C[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000160818986 386189898 /nfs/dbraw/zinc/18/98/98/386189898.db2.gz JWYIDFIHLLMLOV-NKWVEPMBSA-N 1 0 211.265 -0.787 20 70 BBIDRO C[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000160819116 386190272 /nfs/dbraw/zinc/19/02/72/386190272.db2.gz JWYIDFIHLLMLOV-BQBZGAKWSA-N 1 0 211.265 -0.787 20 70 BBIDRO O=C(N[C@@H]1CC(=O)N(C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000160819282 182289049 /nfs/dbraw/zinc/28/90/49/182289049.db2.gz BYXQRQGCLZJBTI-PSASIEDQSA-N 1 0 237.303 -0.382 20 70 BBIDRO O=C(N[C@@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000160819415 182288514 /nfs/dbraw/zinc/28/85/14/182288514.db2.gz BYXQRQGCLZJBTI-SCZZXKLOSA-N 1 0 237.303 -0.382 20 70 BBIDRO O=C(N[C@H]1CC(=O)N(C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000160819521 182326183 /nfs/dbraw/zinc/32/61/83/182326183.db2.gz BYXQRQGCLZJBTI-WCBMZHEXSA-N 1 0 237.303 -0.382 20 70 BBIDRO O=C(N[C@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000160819648 182326292 /nfs/dbraw/zinc/32/62/92/182326292.db2.gz BYXQRQGCLZJBTI-WPRPVWTQSA-N 1 0 237.303 -0.382 20 70 BBIDRO C[C@@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000160819768 386191029 /nfs/dbraw/zinc/19/10/29/386191029.db2.gz JWYIDFIHLLMLOV-RNFRBKRXSA-N 1 0 211.265 -0.787 20 70 BBIDRO C[C@@H]([NH3+])C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000160819924 175798822 /nfs/dbraw/zinc/79/88/22/175798822.db2.gz JWYIDFIHLLMLOV-RQJHMYQMSA-N 1 0 211.265 -0.787 20 70 BBIDRO CCCNS(=O)(=O)NCCC[NH2+]C1CC1 ZINC000160820357 361329257 /nfs/dbraw/zinc/32/92/57/361329257.db2.gz FALZUBKPXMEMKE-UHFFFAOYSA-N 1 0 235.353 -0.038 20 70 BBIDRO CC(C)NS(=O)(=O)NCCC[NH2+]C1CC1 ZINC000160820747 361329518 /nfs/dbraw/zinc/32/95/18/361329518.db2.gz FFJOVJLFGFWZCF-UHFFFAOYSA-N 1 0 235.353 -0.039 20 70 BBIDRO CCNS(=O)(=O)NCCC[NH2+]C1CC1 ZINC000160821047 349328712 /nfs/dbraw/zinc/32/87/12/349328712.db2.gz IVCJXNHJQUQPCL-UHFFFAOYSA-N 1 0 221.326 -0.428 20 70 BBIDRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)C2CC2)CCO1 ZINC000160824293 488168396 /nfs/dbraw/zinc/16/83/96/488168396.db2.gz JLWHYOKTZIDHSP-CBAPKCEASA-N 1 0 234.321 -0.473 20 70 BBIDRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)C2CC2)CCO1 ZINC000160824421 488168033 /nfs/dbraw/zinc/16/80/33/488168033.db2.gz JLWHYOKTZIDHSP-APPZFPTMSA-N 1 0 234.321 -0.473 20 70 BBIDRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)C2CC2)CCO1 ZINC000160824526 488168200 /nfs/dbraw/zinc/16/82/00/488168200.db2.gz JLWHYOKTZIDHSP-IONNQARKSA-N 1 0 234.321 -0.473 20 70 BBIDRO CCCNS(=O)(=O)NCCC[NH2+]CC ZINC000160824540 488168043 /nfs/dbraw/zinc/16/80/43/488168043.db2.gz OERICEMSTXBORK-UHFFFAOYSA-N 1 0 223.342 -0.180 20 70 BBIDRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)C2CC2)CCO1 ZINC000160824657 488167899 /nfs/dbraw/zinc/16/78/99/488167899.db2.gz JLWHYOKTZIDHSP-VXNVDRBHSA-N 1 0 234.321 -0.473 20 70 BBIDRO CC[NH2+]CCCNS(=O)(=O)NC(C)C ZINC000160824820 343204038 /nfs/dbraw/zinc/20/40/38/343204038.db2.gz ARTMRMIUJNRERA-UHFFFAOYSA-N 1 0 223.342 -0.182 20 70 BBIDRO CCCNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000160825785 169270402 /nfs/dbraw/zinc/27/04/02/169270402.db2.gz JLRXDXPBRRILTK-UHFFFAOYSA-N 1 0 235.353 -0.085 20 70 BBIDRO CC(C)NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000160826215 167122484 /nfs/dbraw/zinc/12/24/84/167122484.db2.gz PHLFBOPYKYIDBJ-UHFFFAOYSA-N 1 0 235.353 -0.087 20 70 BBIDRO CCCNS(=O)(=O)NC[C@@H]1CCC[NH2+]1 ZINC000160840726 169271359 /nfs/dbraw/zinc/27/13/59/169271359.db2.gz JBILOMMIJZSXEL-QMMMGPOBSA-N 1 0 221.326 -0.428 20 70 BBIDRO CCCNS(=O)(=O)NC[C@H]1CCC[NH2+]1 ZINC000160840838 169271395 /nfs/dbraw/zinc/27/13/95/169271395.db2.gz JBILOMMIJZSXEL-MRVPVSSYSA-N 1 0 221.326 -0.428 20 70 BBIDRO CCCNS(=O)(=O)NCC[NH2+]CC ZINC000160843183 361329450 /nfs/dbraw/zinc/32/94/50/361329450.db2.gz KNHKAQIHRHMCRV-UHFFFAOYSA-N 1 0 209.315 -0.570 20 70 BBIDRO CC[NH2+]CCNS(=O)(=O)NC(C)C ZINC000160843762 170116444 /nfs/dbraw/zinc/11/64/44/170116444.db2.gz CLUWDVVVDSYCRM-UHFFFAOYSA-N 1 0 209.315 -0.572 20 70 BBIDRO CCCNS(=O)(=O)NCC[NH2+]CCC ZINC000160844065 361329802 /nfs/dbraw/zinc/32/98/02/361329802.db2.gz KIDXRNHZZNAFSN-UHFFFAOYSA-N 1 0 223.342 -0.180 20 70 BBIDRO CCC[NH2+]CCNS(=O)(=O)NC(C)C ZINC000160844617 169260419 /nfs/dbraw/zinc/26/04/19/169260419.db2.gz ZIBWPIJZPVXFMR-UHFFFAOYSA-N 1 0 223.342 -0.182 20 70 BBIDRO CCC[NH2+]CCNS(=O)(=O)NCC ZINC000160844898 169260525 /nfs/dbraw/zinc/26/05/25/169260525.db2.gz QHYJEASWNRCTAV-UHFFFAOYSA-N 1 0 209.315 -0.570 20 70 BBIDRO CC(C)NS(=O)(=O)NCC[NH2+]C(C)C ZINC000160845562 167107407 /nfs/dbraw/zinc/10/74/07/167107407.db2.gz QXXNKGZEIXTTBT-UHFFFAOYSA-N 1 0 223.342 -0.183 20 70 BBIDRO CCCNS(=O)(=O)NCC[NH2+]C1CC1 ZINC000160846002 488171508 /nfs/dbraw/zinc/17/15/08/488171508.db2.gz OSELJGDBHYGDCU-UHFFFAOYSA-N 1 0 221.326 -0.428 20 70 BBIDRO CC(C)NS(=O)(=O)NCC[NH2+]C1CC1 ZINC000160846593 488172327 /nfs/dbraw/zinc/17/23/27/488172327.db2.gz ANFLAIWPTLADPE-UHFFFAOYSA-N 1 0 221.326 -0.429 20 70 BBIDRO CCCNS(=O)(=O)NCC[C@@H](C)[NH3+] ZINC000160848870 343131573 /nfs/dbraw/zinc/13/15/73/343131573.db2.gz ACDOLGWFOWTMQS-SSDOTTSWSA-N 1 0 209.315 -0.442 20 70 BBIDRO CCCNS(=O)(=O)NCC[C@H](C)[NH3+] ZINC000160849003 133510675 /nfs/dbraw/zinc/51/06/75/133510675.db2.gz ACDOLGWFOWTMQS-ZETCQYMHSA-N 1 0 209.315 -0.442 20 70 BBIDRO CC(C)NS(=O)(=O)NCC[C@H](C)[NH3+] ZINC000160850008 167128455 /nfs/dbraw/zinc/12/84/55/167128455.db2.gz VVYQZGXQHKKGKZ-ZETCQYMHSA-N 1 0 209.315 -0.444 20 70 BBIDRO CCCNS(=O)(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000160857670 169270411 /nfs/dbraw/zinc/27/04/11/169270411.db2.gz KMMWCXBFLLUPKB-SECBINFHSA-N 1 0 235.353 -0.228 20 70 BBIDRO CCCNS(=O)(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000160857782 169270378 /nfs/dbraw/zinc/27/03/78/169270378.db2.gz KMMWCXBFLLUPKB-VIFPVBQESA-N 1 0 235.353 -0.228 20 70 BBIDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)NC(C)C)C1 ZINC000160858553 173381378 /nfs/dbraw/zinc/38/13/78/173381378.db2.gz SRHCZZCDPYCKCI-SECBINFHSA-N 1 0 235.353 -0.230 20 70 BBIDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)NC(C)C)C1 ZINC000160858666 173371303 /nfs/dbraw/zinc/37/13/03/173371303.db2.gz SRHCZZCDPYCKCI-VIFPVBQESA-N 1 0 235.353 -0.230 20 70 BBIDRO CCCNS(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000160859265 169271676 /nfs/dbraw/zinc/27/16/76/169271676.db2.gz KYKGQHYGCLDDJE-VIFPVBQESA-N 1 0 235.353 -0.180 20 70 BBIDRO CCCNS(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000160859385 169271233 /nfs/dbraw/zinc/27/12/33/169271233.db2.gz KYKGQHYGCLDDJE-SECBINFHSA-N 1 0 235.353 -0.180 20 70 BBIDRO CC(C)NS(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000160860076 167127916 /nfs/dbraw/zinc/12/79/16/167127916.db2.gz SQYFCHUUMRGACG-VIFPVBQESA-N 1 0 235.353 -0.182 20 70 BBIDRO CC(C)NS(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000160860173 167126933 /nfs/dbraw/zinc/12/69/33/167126933.db2.gz SQYFCHUUMRGACG-SECBINFHSA-N 1 0 235.353 -0.182 20 70 BBIDRO CCCNS(=O)(=O)NC[C@H]([NH3+])CC ZINC000160862348 535177262 /nfs/dbraw/zinc/17/72/62/535177262.db2.gz JLNYVUIUSSEWPO-SSDOTTSWSA-N 1 0 209.315 -0.442 20 70 BBIDRO CCCNS(=O)(=O)NC[C@@H]([NH3+])CC ZINC000160862447 349332274 /nfs/dbraw/zinc/33/22/74/349332274.db2.gz JLNYVUIUSSEWPO-ZETCQYMHSA-N 1 0 209.315 -0.442 20 70 BBIDRO CC[C@H]([NH3+])CNS(=O)(=O)NC(C)C ZINC000160863151 361331647 /nfs/dbraw/zinc/33/16/47/361331647.db2.gz KVWNONREUVFIBT-ZETCQYMHSA-N 1 0 209.315 -0.444 20 70 BBIDRO CC[C@@H]([NH3+])CNS(=O)(=O)NC(C)C ZINC000160863275 133510660 /nfs/dbraw/zinc/51/06/60/133510660.db2.gz KVWNONREUVFIBT-SSDOTTSWSA-N 1 0 209.315 -0.444 20 70 BBIDRO CCCNS(=O)(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000160863941 169271350 /nfs/dbraw/zinc/27/13/50/169271350.db2.gz ZUWOOZQXKJLMHV-RKDXNWHRSA-N 1 0 235.353 -0.087 20 70 BBIDRO C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@H](O)C1CC1 ZINC000160864192 358975364 /nfs/dbraw/zinc/97/53/64/358975364.db2.gz NTFQLKOCEZPKDE-SVRRBLITSA-N 1 0 229.280 -0.728 20 70 BBIDRO CC(C)NS(=O)(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000160864624 167125375 /nfs/dbraw/zinc/12/53/75/167125375.db2.gz AZZDSGKQTWULOU-DTORHVGOSA-N 1 0 235.353 -0.089 20 70 BBIDRO CC(C)NS(=O)(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000160864758 167126272 /nfs/dbraw/zinc/12/62/72/167126272.db2.gz AZZDSGKQTWULOU-IUCAKERBSA-N 1 0 235.353 -0.089 20 70 BBIDRO CC(C)NS(=O)(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000160864880 167125915 /nfs/dbraw/zinc/12/59/15/167125915.db2.gz AZZDSGKQTWULOU-RKDXNWHRSA-N 1 0 235.353 -0.089 20 70 BBIDRO CC(C)NS(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000160870931 167127120 /nfs/dbraw/zinc/12/71/20/167127120.db2.gz CEDPGGWDZJSZQY-SECBINFHSA-N 1 0 235.353 -0.039 20 70 BBIDRO CC(C)NS(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000160871052 167128467 /nfs/dbraw/zinc/12/84/67/167128467.db2.gz CEDPGGWDZJSZQY-VIFPVBQESA-N 1 0 235.353 -0.039 20 70 BBIDRO CCNS(=O)(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000160878183 170133404 /nfs/dbraw/zinc/13/34/04/170133404.db2.gz KQKWDMDHJFKMRM-SECBINFHSA-N 1 0 235.353 -0.099 20 70 BBIDRO CCNS(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000160878312 170133641 /nfs/dbraw/zinc/13/36/41/170133641.db2.gz KQKWDMDHJFKMRM-VIFPVBQESA-N 1 0 235.353 -0.099 20 70 BBIDRO CCNS(=O)(=O)N1CCC(CC[NH3+])CC1 ZINC000160882414 343204220 /nfs/dbraw/zinc/20/42/20/343204220.db2.gz PQXZDGCFRDTCND-UHFFFAOYSA-N 1 0 235.353 -0.099 20 70 BBIDRO CCCNS(=O)(=O)NC[C@H]([NH3+])C(C)C ZINC000160883657 361331200 /nfs/dbraw/zinc/33/12/00/361331200.db2.gz ASLLHUDBGOHEOK-QMMMGPOBSA-N 1 0 223.342 -0.196 20 70 BBIDRO CCCNS(=O)(=O)NC[C@@H]([NH3+])C(C)C ZINC000160883783 361332584 /nfs/dbraw/zinc/33/25/84/361332584.db2.gz ASLLHUDBGOHEOK-MRVPVSSYSA-N 1 0 223.342 -0.196 20 70 BBIDRO CC(C)NS(=O)(=O)NC[C@@H]([NH3+])C(C)C ZINC000160884711 361332068 /nfs/dbraw/zinc/33/20/68/361332068.db2.gz HORJNVFTHMMNPO-MRVPVSSYSA-N 1 0 223.342 -0.198 20 70 BBIDRO CC(C)NS(=O)(=O)NC[C@H]([NH3+])C(C)C ZINC000160884838 361332694 /nfs/dbraw/zinc/33/26/94/361332694.db2.gz HORJNVFTHMMNPO-QMMMGPOBSA-N 1 0 223.342 -0.198 20 70 BBIDRO CCCNS(=O)(=O)N1CC[NH2+]CC1(C)C ZINC000160891566 488175380 /nfs/dbraw/zinc/17/53/80/488175380.db2.gz NQLAVJMVMALYHQ-UHFFFAOYSA-N 1 0 235.353 -0.085 20 70 BBIDRO CC(C)NS(=O)(=O)N1CC[NH2+]CC1(C)C ZINC000160892024 488175311 /nfs/dbraw/zinc/17/53/11/488175311.db2.gz SEZWGAABHAQIHG-UHFFFAOYSA-N 1 0 235.353 -0.087 20 70 BBIDRO CCCNS(=O)(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000160911607 169271455 /nfs/dbraw/zinc/27/14/55/169271455.db2.gz SOOPSRSTVGAPIO-DTORHVGOSA-N 1 0 233.337 -0.618 20 70 BBIDRO CC(C)NS(=O)(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000160912747 167124939 /nfs/dbraw/zinc/12/49/39/167124939.db2.gz ABXHZYWGEYEOAT-DTORHVGOSA-N 1 0 233.337 -0.620 20 70 BBIDRO CC(C)NS(=O)(=O)NC[C@H]([NH3+])C1CC1 ZINC000160937314 167127715 /nfs/dbraw/zinc/12/77/15/167127715.db2.gz CHHPWTCZYGUPMS-QMMMGPOBSA-N 1 0 221.326 -0.444 20 70 BBIDRO CC(C)NS(=O)(=O)NC[C@@H]([NH3+])C1CC1 ZINC000160937419 167127898 /nfs/dbraw/zinc/12/78/98/167127898.db2.gz CHHPWTCZYGUPMS-MRVPVSSYSA-N 1 0 221.326 -0.444 20 70 BBIDRO CCCNS(=O)(=O)NC[C@@H](C)C[NH2+]C ZINC000160938084 361334086 /nfs/dbraw/zinc/33/40/86/361334086.db2.gz IHSMWSLRTVTIPQ-QMMMGPOBSA-N 1 0 223.342 -0.324 20 70 BBIDRO CCCNS(=O)(=O)NC[C@H](C)C[NH2+]C ZINC000160938204 361334098 /nfs/dbraw/zinc/33/40/98/361334098.db2.gz IHSMWSLRTVTIPQ-MRVPVSSYSA-N 1 0 223.342 -0.324 20 70 BBIDRO C[NH2+]C[C@H](C)CNS(=O)(=O)NC(C)C ZINC000160939154 388104365 /nfs/dbraw/zinc/10/43/65/388104365.db2.gz ASDSUSJQCKLKJT-QMMMGPOBSA-N 1 0 223.342 -0.326 20 70 BBIDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)NC(C)C ZINC000160939272 133511092 /nfs/dbraw/zinc/51/10/92/133511092.db2.gz ASDSUSJQCKLKJT-MRVPVSSYSA-N 1 0 223.342 -0.326 20 70 BBIDRO CCCNS(=O)(=O)NCC(C)(C)[NH3+] ZINC000160939655 361333998 /nfs/dbraw/zinc/33/39/98/361333998.db2.gz HOGVYLYCZQEKPD-UHFFFAOYSA-N 1 0 209.315 -0.442 20 70 BBIDRO CO[C@@H](C)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000160944484 323139693 /nfs/dbraw/zinc/13/96/93/323139693.db2.gz XJCGFJIJIBJOEW-IUCAKERBSA-N 1 0 215.297 -0.877 20 70 BBIDRO CO[C@H](C)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000160944607 323139672 /nfs/dbraw/zinc/13/96/72/323139672.db2.gz XJCGFJIJIBJOEW-BDAKNGLRSA-N 1 0 215.297 -0.877 20 70 BBIDRO C[C@H](O)CC(C)(C)CNC(=O)[C@@H]1COCCN1 ZINC000160946947 385311119 /nfs/dbraw/zinc/31/11/19/385311119.db2.gz UYECOPXFPJVNQS-UWVGGRQHSA-N 1 0 244.335 -0.112 20 70 BBIDRO C[C@@H](O)CC(C)(C)CNC(=O)[C@@H]1COCCN1 ZINC000160947083 385310963 /nfs/dbraw/zinc/31/09/63/385310963.db2.gz UYECOPXFPJVNQS-ZJUUUORDSA-N 1 0 244.335 -0.112 20 70 BBIDRO C[C@H](O)CC(C)(C)CNC(=O)[C@H]1COCCN1 ZINC000160947216 385312819 /nfs/dbraw/zinc/31/28/19/385312819.db2.gz UYECOPXFPJVNQS-VHSXEESVSA-N 1 0 244.335 -0.112 20 70 BBIDRO C[C@@H](O)CC(C)(C)CNC(=O)[C@H]1COCCN1 ZINC000160947343 385312434 /nfs/dbraw/zinc/31/24/34/385312434.db2.gz UYECOPXFPJVNQS-NXEZZACHSA-N 1 0 244.335 -0.112 20 70 BBIDRO CCCNS(=O)(=O)N1CCC[C@@H]1C[NH2+]C ZINC000160952125 169270446 /nfs/dbraw/zinc/27/04/46/169270446.db2.gz XEWKUNQZVYIEMQ-SECBINFHSA-N 1 0 235.353 -0.085 20 70 BBIDRO CCCNS(=O)(=O)N1CCC[C@H]1C[NH2+]C ZINC000160952243 169270370 /nfs/dbraw/zinc/27/03/70/169270370.db2.gz XEWKUNQZVYIEMQ-VIFPVBQESA-N 1 0 235.353 -0.085 20 70 BBIDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)NC(C)C ZINC000160952928 173380579 /nfs/dbraw/zinc/38/05/79/173380579.db2.gz KJKSFGBEYIJLRT-SECBINFHSA-N 1 0 235.353 -0.087 20 70 BBIDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)NC(C)C ZINC000160953053 173370000 /nfs/dbraw/zinc/37/00/00/173370000.db2.gz KJKSFGBEYIJLRT-VIFPVBQESA-N 1 0 235.353 -0.087 20 70 BBIDRO CCCNS(=O)(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000160954592 169271741 /nfs/dbraw/zinc/27/17/41/169271741.db2.gz VKANTNZKSNFUCK-IUCAKERBSA-N 1 0 235.353 -0.100 20 70 BBIDRO CCCNS(=O)(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000160954729 169271780 /nfs/dbraw/zinc/27/17/80/169271780.db2.gz VKANTNZKSNFUCK-DTWKUNHWSA-N 1 0 235.353 -0.100 20 70 BBIDRO CC(C)NS(=O)(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000160955942 167126401 /nfs/dbraw/zinc/12/64/01/167126401.db2.gz LEQNAIPIYWTWOA-RKDXNWHRSA-N 1 0 235.353 -0.102 20 70 BBIDRO CC(C)NS(=O)(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000160956076 167126010 /nfs/dbraw/zinc/12/60/10/167126010.db2.gz LEQNAIPIYWTWOA-DTWKUNHWSA-N 1 0 235.353 -0.102 20 70 BBIDRO CC(C)NS(=O)(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000160956183 167125486 /nfs/dbraw/zinc/12/54/86/167125486.db2.gz LEQNAIPIYWTWOA-BDAKNGLRSA-N 1 0 235.353 -0.102 20 70 BBIDRO CC(C)NS(=O)(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000160956329 167126535 /nfs/dbraw/zinc/12/65/35/167126535.db2.gz LEQNAIPIYWTWOA-IUCAKERBSA-N 1 0 235.353 -0.102 20 70 BBIDRO CCCNS(=O)(=O)NCC[NH2+]CCOC ZINC000160957934 136226533 /nfs/dbraw/zinc/22/65/33/136226533.db2.gz PYVXGRAMWKSHCT-UHFFFAOYSA-N 1 0 239.341 -0.944 20 70 BBIDRO COCC[NH2+]CCNS(=O)(=O)NC(C)C ZINC000160958395 174333003 /nfs/dbraw/zinc/33/30/03/174333003.db2.gz BJHAFYPTOVOKAW-UHFFFAOYSA-N 1 0 239.341 -0.945 20 70 BBIDRO CCCNS(=O)(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000160959303 169270909 /nfs/dbraw/zinc/27/09/09/169270909.db2.gz ILWAKJGOSSQWCP-BDAKNGLRSA-N 1 0 235.353 -0.100 20 70 BBIDRO CCCNS(=O)(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000160959420 169270558 /nfs/dbraw/zinc/27/05/58/169270558.db2.gz ILWAKJGOSSQWCP-RKDXNWHRSA-N 1 0 235.353 -0.100 20 70 BBIDRO CC(C)NS(=O)(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000160960648 167126674 /nfs/dbraw/zinc/12/66/74/167126674.db2.gz LZHNODHONRNJOE-BDAKNGLRSA-N 1 0 235.353 -0.102 20 70 BBIDRO CC(C)NS(=O)(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000160960785 167125865 /nfs/dbraw/zinc/12/58/65/167125865.db2.gz LZHNODHONRNJOE-RKDXNWHRSA-N 1 0 235.353 -0.102 20 70 BBIDRO CCNS(=O)(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000160962783 170135339 /nfs/dbraw/zinc/13/53/39/170135339.db2.gz SIJMLWWOCGCFBB-SECBINFHSA-N 1 0 235.353 -0.180 20 70 BBIDRO CCNS(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000160962910 170135397 /nfs/dbraw/zinc/13/53/97/170135397.db2.gz SIJMLWWOCGCFBB-VIFPVBQESA-N 1 0 235.353 -0.180 20 70 BBIDRO CCNS(=O)(=O)NCC1(C)CC[NH2+]CC1 ZINC000160963584 170134713 /nfs/dbraw/zinc/13/47/13/170134713.db2.gz AGLLJUDTVXGOGX-UHFFFAOYSA-N 1 0 235.353 -0.180 20 70 BBIDRO CCCNS(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000160967931 169270406 /nfs/dbraw/zinc/27/04/06/169270406.db2.gz TXWJWLPGRABGLK-VIFPVBQESA-N 1 0 235.353 -0.100 20 70 BBIDRO CCCNS(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000160968060 169270675 /nfs/dbraw/zinc/27/06/75/169270675.db2.gz TXWJWLPGRABGLK-SECBINFHSA-N 1 0 235.353 -0.100 20 70 BBIDRO CC(C)NS(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000160968879 167124517 /nfs/dbraw/zinc/12/45/17/167124517.db2.gz GDBVOYMIUMJFMK-VIFPVBQESA-N 1 0 235.353 -0.102 20 70 BBIDRO CC(C)NS(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000160969022 167122921 /nfs/dbraw/zinc/12/29/21/167122921.db2.gz GDBVOYMIUMJFMK-SECBINFHSA-N 1 0 235.353 -0.102 20 70 BBIDRO CCNS(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000160969460 170132531 /nfs/dbraw/zinc/13/25/31/170132531.db2.gz DSTJFQHPFKUJLI-QMMMGPOBSA-N 1 0 221.326 -0.490 20 70 BBIDRO CCNS(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000160969617 170133989 /nfs/dbraw/zinc/13/39/89/170133989.db2.gz DSTJFQHPFKUJLI-MRVPVSSYSA-N 1 0 221.326 -0.490 20 70 BBIDRO CCCNS(=O)(=O)NCC1=CC[NH2+]CC1 ZINC000160971049 169271979 /nfs/dbraw/zinc/27/19/79/169271979.db2.gz UPQGMLXYQHMMOV-UHFFFAOYSA-N 1 0 233.337 -0.260 20 70 BBIDRO CC(C)NS(=O)(=O)NCC1=CC[NH2+]CC1 ZINC000160971427 167126095 /nfs/dbraw/zinc/12/60/95/167126095.db2.gz LTCSUQJFEPJRDQ-UHFFFAOYSA-N 1 0 233.337 -0.262 20 70 BBIDRO CCCNS(=O)(=O)NC1(C)CC[NH2+]CC1 ZINC000160971843 169271653 /nfs/dbraw/zinc/27/16/53/169271653.db2.gz SVGQYAKQTZLHCN-UHFFFAOYSA-N 1 0 235.353 -0.038 20 70 BBIDRO CC(C)NS(=O)(=O)NC1(C)CC[NH2+]CC1 ZINC000160972235 167125670 /nfs/dbraw/zinc/12/56/70/167125670.db2.gz BLVXIXAEEQODJT-UHFFFAOYSA-N 1 0 235.353 -0.039 20 70 BBIDRO CCCNS(=O)(=O)NCC[C@H]1CCC[NH2+]1 ZINC000160972818 169271508 /nfs/dbraw/zinc/27/15/08/169271508.db2.gz UJYPJPZMQHWURE-SECBINFHSA-N 1 0 235.353 -0.038 20 70 BBIDRO COC[C@@H](O)C[N@@H+]1CCC[C@](C)(O)C1 ZINC000160994509 359684311 /nfs/dbraw/zinc/68/43/11/359684311.db2.gz VHFHXGWMUHIWJA-UWVGGRQHSA-N 1 0 203.282 -0.160 20 70 BBIDRO COC[C@@H](O)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000160994641 536731537 /nfs/dbraw/zinc/73/15/37/536731537.db2.gz VHFHXGWMUHIWJA-VHSXEESVSA-N 1 0 203.282 -0.160 20 70 BBIDRO NS(=O)(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000161020739 133511443 /nfs/dbraw/zinc/51/14/43/133511443.db2.gz GRFVXTHBJYKGQW-UHFFFAOYSA-N 1 0 247.364 -0.002 20 70 BBIDRO CCCNS(=O)(=O)N[C@@H](C)CCC[NH3+] ZINC000161067539 535176559 /nfs/dbraw/zinc/17/65/59/535176559.db2.gz OZFXDKHNMGGITC-QMMMGPOBSA-N 1 0 223.342 -0.052 20 70 BBIDRO CCCNS(=O)(=O)N[C@H](C)CCC[NH3+] ZINC000161067607 345245839 /nfs/dbraw/zinc/24/58/39/345245839.db2.gz OZFXDKHNMGGITC-MRVPVSSYSA-N 1 0 223.342 -0.052 20 70 BBIDRO CCNS(=O)(=O)N[C@@H](C)CCC[NH3+] ZINC000161067963 323145778 /nfs/dbraw/zinc/14/57/78/323145778.db2.gz IMPPFHMVEXNNTE-ZETCQYMHSA-N 1 0 209.315 -0.442 20 70 BBIDRO CCNS(=O)(=O)N[C@H](C)CCC[NH3+] ZINC000161068049 323145765 /nfs/dbraw/zinc/14/57/65/323145765.db2.gz IMPPFHMVEXNNTE-SSDOTTSWSA-N 1 0 209.315 -0.442 20 70 BBIDRO CC(C)NS(=O)(=O)N[C@@H](C)CCC[NH3+] ZINC000161068441 133512153 /nfs/dbraw/zinc/51/21/53/133512153.db2.gz IBLNWZHCAKCFDW-QMMMGPOBSA-N 1 0 223.342 -0.054 20 70 BBIDRO CC(C)NS(=O)(=O)N[C@H](C)CCC[NH3+] ZINC000161068529 345245759 /nfs/dbraw/zinc/24/57/59/345245759.db2.gz IBLNWZHCAKCFDW-MRVPVSSYSA-N 1 0 223.342 -0.054 20 70 BBIDRO CCCNS(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000161075299 487474753 /nfs/dbraw/zinc/47/47/53/487474753.db2.gz NMSCLNSCGZUAPM-SFYZADRCSA-N 1 0 223.342 -0.054 20 70 BBIDRO CCCNS(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000161075419 487475103 /nfs/dbraw/zinc/47/51/03/487475103.db2.gz NMSCLNSCGZUAPM-HTQZYQBOSA-N 1 0 223.342 -0.054 20 70 BBIDRO CCCNS(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000161075560 487475022 /nfs/dbraw/zinc/47/50/22/487475022.db2.gz NMSCLNSCGZUAPM-YUMQZZPRSA-N 1 0 223.342 -0.054 20 70 BBIDRO CCCNS(=O)(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000161075678 487475007 /nfs/dbraw/zinc/47/50/07/487475007.db2.gz NMSCLNSCGZUAPM-JGVFFNPUSA-N 1 0 223.342 -0.054 20 70 BBIDRO CCNS(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000161076226 343204223 /nfs/dbraw/zinc/20/42/23/343204223.db2.gz DPRNVJNEQGJXFV-RQJHMYQMSA-N 1 0 209.315 -0.444 20 70 BBIDRO CCNS(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000161076332 343204149 /nfs/dbraw/zinc/20/41/49/343204149.db2.gz DPRNVJNEQGJXFV-RNFRBKRXSA-N 1 0 209.315 -0.444 20 70 BBIDRO CCNS(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000161076456 345251914 /nfs/dbraw/zinc/25/19/14/345251914.db2.gz DPRNVJNEQGJXFV-BQBZGAKWSA-N 1 0 209.315 -0.444 20 70 BBIDRO CCNS(=O)(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000161076566 343204077 /nfs/dbraw/zinc/20/40/77/343204077.db2.gz DPRNVJNEQGJXFV-NKWVEPMBSA-N 1 0 209.315 -0.444 20 70 BBIDRO CC(C)NS(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000161077121 323145811 /nfs/dbraw/zinc/14/58/11/323145811.db2.gz HMNXEUANJHXTLB-SFYZADRCSA-N 1 0 223.342 -0.055 20 70 BBIDRO CC(C)NS(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000161077218 323008386 /nfs/dbraw/zinc/00/83/86/323008386.db2.gz HMNXEUANJHXTLB-HTQZYQBOSA-N 1 0 223.342 -0.055 20 70 BBIDRO CC(C)NS(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000161077351 323145813 /nfs/dbraw/zinc/14/58/13/323145813.db2.gz HMNXEUANJHXTLB-YUMQZZPRSA-N 1 0 223.342 -0.055 20 70 BBIDRO CC(C)NS(=O)(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000161077473 323008317 /nfs/dbraw/zinc/00/83/17/323008317.db2.gz HMNXEUANJHXTLB-JGVFFNPUSA-N 1 0 223.342 -0.055 20 70 BBIDRO CCCNS(=O)(=O)NC(C)(C)CC[NH3+] ZINC000161088039 169271854 /nfs/dbraw/zinc/27/18/54/169271854.db2.gz BZWZVOVCZDCZFZ-UHFFFAOYSA-N 1 0 223.342 -0.052 20 70 BBIDRO CCNS(=O)(=O)NC(C)(C)CC[NH3+] ZINC000161088309 170134662 /nfs/dbraw/zinc/13/46/62/170134662.db2.gz LUVQANUVEHBSHV-UHFFFAOYSA-N 1 0 209.315 -0.442 20 70 BBIDRO CC(C)NS(=O)(=O)NC(C)(C)CC[NH3+] ZINC000161088561 167125507 /nfs/dbraw/zinc/12/55/07/167125507.db2.gz FATJCTMVFLNLJT-UHFFFAOYSA-N 1 0 223.342 -0.054 20 70 BBIDRO NS(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000161092789 345262142 /nfs/dbraw/zinc/26/21/42/345262142.db2.gz FTPCJRWYHJQMBX-SECBINFHSA-N 1 0 233.337 -0.250 20 70 BBIDRO NS(=O)(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000161092883 345261860 /nfs/dbraw/zinc/26/18/60/345261860.db2.gz FTPCJRWYHJQMBX-VIFPVBQESA-N 1 0 233.337 -0.250 20 70 BBIDRO O=C(CO)N1CC[NH+](C2CCOCC2)CC1 ZINC000161119114 388482735 /nfs/dbraw/zinc/48/27/35/388482735.db2.gz DHXNBBRSZBMHPG-UHFFFAOYSA-N 1 0 228.292 -0.698 20 70 BBIDRO COCC[NH2+]CCNC(=O)[C@H](C)OC ZINC000161152793 174332694 /nfs/dbraw/zinc/33/26/94/174332694.db2.gz KFYRVPDUCFPTJV-QMMMGPOBSA-N 1 0 204.270 -0.627 20 70 BBIDRO COCC[NH2+]CCNC(=O)[C@@H](C)OC ZINC000161152906 174332017 /nfs/dbraw/zinc/33/20/17/174332017.db2.gz KFYRVPDUCFPTJV-MRVPVSSYSA-N 1 0 204.270 -0.627 20 70 BBIDRO CC[NH+](CC)CC(=O)NCC[C@H](O)COC ZINC000161155343 323149410 /nfs/dbraw/zinc/14/94/10/323149410.db2.gz DVERHZGQPLUVBV-JTQLQIEISA-N 1 0 232.324 -0.158 20 70 BBIDRO CC[NH+](CC)CC(=O)NCC[C@@H](O)COC ZINC000161155463 323149514 /nfs/dbraw/zinc/14/95/14/323149514.db2.gz DVERHZGQPLUVBV-SNVBAGLBSA-N 1 0 232.324 -0.158 20 70 BBIDRO C[C@](CO)([NH2+]CC(N)=O)c1ccccc1 ZINC000161157760 363203715 /nfs/dbraw/zinc/20/37/15/363203715.db2.gz VPIVEGIRMFJTPB-LLVKDONJSA-N 1 0 208.261 -0.031 20 70 BBIDRO C[C@@](CO)([NH2+]CC(N)=O)c1ccccc1 ZINC000161157890 388676483 /nfs/dbraw/zinc/67/64/83/388676483.db2.gz VPIVEGIRMFJTPB-NSHDSACASA-N 1 0 208.261 -0.031 20 70 BBIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CC(=O)N(C)C ZINC000161177824 384883399 /nfs/dbraw/zinc/88/33/99/384883399.db2.gz NCSIEQUJEBHEBN-VIFPVBQESA-N 1 0 227.308 -0.325 20 70 BBIDRO C[NH2+]C[C@H]1CCCN1C(=O)CC(=O)N(C)C ZINC000161177943 384882996 /nfs/dbraw/zinc/88/29/96/384882996.db2.gz NCSIEQUJEBHEBN-SECBINFHSA-N 1 0 227.308 -0.325 20 70 BBIDRO CC[N@H+](CC(=O)NCC[C@H](O)COC)C1CC1 ZINC000161255298 387163856 /nfs/dbraw/zinc/16/38/56/387163856.db2.gz CIPCUELMVXVKCC-NSHDSACASA-N 1 0 244.335 -0.016 20 70 BBIDRO CC[N@H+](CC(=O)NCC[C@@H](O)COC)C1CC1 ZINC000161255422 387163522 /nfs/dbraw/zinc/16/35/22/387163522.db2.gz CIPCUELMVXVKCC-LLVKDONJSA-N 1 0 244.335 -0.016 20 70 BBIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NC2CC2)C1 ZINC000161268773 487487164 /nfs/dbraw/zinc/48/71/64/487487164.db2.gz NFDDEFLBMVZASF-IONNQARKSA-N 1 0 225.292 -0.349 20 70 BBIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NC2CC2)C1 ZINC000161268893 487487362 /nfs/dbraw/zinc/48/73/62/487487362.db2.gz NFDDEFLBMVZASF-VXNVDRBHSA-N 1 0 225.292 -0.349 20 70 BBIDRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NC2CC2)C1 ZINC000161269017 487487094 /nfs/dbraw/zinc/48/70/94/487487094.db2.gz NFDDEFLBMVZASF-CBAPKCEASA-N 1 0 225.292 -0.349 20 70 BBIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NC2CC2)C1 ZINC000161269142 487487081 /nfs/dbraw/zinc/48/70/81/487487081.db2.gz NFDDEFLBMVZASF-APPZFPTMSA-N 1 0 225.292 -0.349 20 70 BBIDRO C[N@@H+]1CCC[C@@H]1CCN1CCNC(=O)C1 ZINC000161280438 398062210 /nfs/dbraw/zinc/06/22/10/398062210.db2.gz KVHDMCCYFNDSRV-SNVBAGLBSA-N 1 0 211.309 -0.098 20 70 BBIDRO C[N@@H+]1CCC[C@H]1CCN1CCNC(=O)C1 ZINC000161280552 398062228 /nfs/dbraw/zinc/06/22/28/398062228.db2.gz KVHDMCCYFNDSRV-JTQLQIEISA-N 1 0 211.309 -0.098 20 70 BBIDRO CNC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161309724 538915444 /nfs/dbraw/zinc/91/54/44/538915444.db2.gz ZAXXZPFINIOKIP-UHFFFAOYSA-N 1 0 234.303 -0.050 20 70 BBIDRO CC(=O)N[C@H](C)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161382790 487493490 /nfs/dbraw/zinc/49/34/90/487493490.db2.gz YIBVGTFTHVGPJD-FKTZTGRPSA-N 1 0 227.308 -0.103 20 70 BBIDRO CC(=O)N[C@H](C)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161382970 487493141 /nfs/dbraw/zinc/49/31/41/487493141.db2.gz YIBVGTFTHVGPJD-JEZHCXPESA-N 1 0 227.308 -0.103 20 70 BBIDRO CCC(=O)N1CC[C@H](C(=O)NCC[NH+](C)C)C1 ZINC000161385443 384987131 /nfs/dbraw/zinc/98/71/31/384987131.db2.gz AUCQFGUONJOECI-JTQLQIEISA-N 1 0 241.335 -0.077 20 70 BBIDRO CCC(=O)N1CC[C@@H](C(=O)NCC[NH+](C)C)C1 ZINC000161385580 384484683 /nfs/dbraw/zinc/48/46/83/384484683.db2.gz AUCQFGUONJOECI-SNVBAGLBSA-N 1 0 241.335 -0.077 20 70 BBIDRO CCS(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000161407927 385012406 /nfs/dbraw/zinc/01/24/06/385012406.db2.gz ORAGXCWNWAXFIS-QMMMGPOBSA-N 1 0 224.326 -0.762 20 70 BBIDRO CCS(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000161408063 205526188 /nfs/dbraw/zinc/52/61/88/205526188.db2.gz ORAGXCWNWAXFIS-MRVPVSSYSA-N 1 0 224.326 -0.762 20 70 BBIDRO CC[C@](C)(O)C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000161462823 349454980 /nfs/dbraw/zinc/45/49/80/349454980.db2.gz YQIOQMDKJFTPOG-KOLCDFICSA-N 1 0 227.308 -0.143 20 70 BBIDRO CC[C@@](C)(O)C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000161462925 349454992 /nfs/dbraw/zinc/45/49/92/349454992.db2.gz YQIOQMDKJFTPOG-MWLCHTKSSA-N 1 0 227.308 -0.143 20 70 BBIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)C1CC1 ZINC000161508722 385181619 /nfs/dbraw/zinc/18/16/19/385181619.db2.gz AJJJBMWPOJMXIQ-SECBINFHSA-N 1 0 236.337 -0.619 20 70 BBIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)C1CC1 ZINC000161508847 200713118 /nfs/dbraw/zinc/71/31/18/200713118.db2.gz AJJJBMWPOJMXIQ-VIFPVBQESA-N 1 0 236.337 -0.619 20 70 BBIDRO Cc1cc(N2CC[C@H](CO)[C@H](O)C2)nc(N)[nH+]1 ZINC000216991083 592090928 /nfs/dbraw/zinc/09/09/28/592090928.db2.gz PMYSLMQCPIVCMF-RKDXNWHRSA-N 1 0 238.291 -0.453 20 70 BBIDRO Cc1cc(N2CC[C@@H](CO)[C@H](O)C2)nc(N)[nH+]1 ZINC000216991096 592091030 /nfs/dbraw/zinc/09/10/30/592091030.db2.gz PMYSLMQCPIVCMF-DTWKUNHWSA-N 1 0 238.291 -0.453 20 70 BBIDRO CCOC[C@@H](O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000217145972 385264565 /nfs/dbraw/zinc/26/45/65/385264565.db2.gz RDPZENUUIFYYBD-ZJUUUORDSA-N 1 0 203.282 -0.160 20 70 BBIDRO CCOC[C@H](O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000217145977 385264789 /nfs/dbraw/zinc/26/47/89/385264789.db2.gz RDPZENUUIFYYBD-NXEZZACHSA-N 1 0 203.282 -0.160 20 70 BBIDRO CC(C)CNC(=O)NCCN1CC[NH2+]CC1 ZINC000217269446 256840915 /nfs/dbraw/zinc/84/09/15/256840915.db2.gz CKNLFEIOMQQAFV-UHFFFAOYSA-N 1 0 228.340 -0.153 20 70 BBIDRO CCS(=O)(=O)C[C@@H](C)[NH2+]CCN(C)C ZINC000217327125 384458701 /nfs/dbraw/zinc/45/87/01/384458701.db2.gz MHAKGQGYLKNGDJ-SECBINFHSA-N 1 0 222.354 -0.039 20 70 BBIDRO CCS(=O)(=O)C[C@H](C)[NH2+]CCN(C)C ZINC000217327126 384458452 /nfs/dbraw/zinc/45/84/52/384458452.db2.gz MHAKGQGYLKNGDJ-VIFPVBQESA-N 1 0 222.354 -0.039 20 70 BBIDRO CN1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C1=O ZINC000217569823 536457045 /nfs/dbraw/zinc/45/70/45/536457045.db2.gz HCZXQUNCGDVFMP-JGVFFNPUSA-N 1 0 211.265 -0.915 20 70 BBIDRO CN1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C1=O ZINC000217569902 136277957 /nfs/dbraw/zinc/27/79/57/136277957.db2.gz HCZXQUNCGDVFMP-YUMQZZPRSA-N 1 0 211.265 -0.915 20 70 BBIDRO CN1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C1=O ZINC000217569990 536456814 /nfs/dbraw/zinc/45/68/14/536456814.db2.gz HCZXQUNCGDVFMP-HTQZYQBOSA-N 1 0 211.265 -0.915 20 70 BBIDRO CN1CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)C1=O ZINC000217570077 134248375 /nfs/dbraw/zinc/24/83/75/134248375.db2.gz HCZXQUNCGDVFMP-SFYZADRCSA-N 1 0 211.265 -0.915 20 70 BBIDRO C[C@@H](C(=O)N(C)C)N1CCO[C@@H](C[NH3+])C1 ZINC000217731603 343215253 /nfs/dbraw/zinc/21/52/53/343215253.db2.gz BNKWAIZOHIUXNP-IUCAKERBSA-N 1 0 215.297 -0.877 20 70 BBIDRO C[C@H](C(=O)N(C)C)N1CCO[C@@H](C[NH3+])C1 ZINC000217731683 343215222 /nfs/dbraw/zinc/21/52/22/343215222.db2.gz BNKWAIZOHIUXNP-BDAKNGLRSA-N 1 0 215.297 -0.877 20 70 BBIDRO COCC[N@H+](CCO)C[C@@H]1CCC(=O)N1 ZINC000217735556 411529584 /nfs/dbraw/zinc/52/95/84/411529584.db2.gz FSEZPYFULNFRLE-VIFPVBQESA-N 1 0 216.281 -0.794 20 70 BBIDRO CC[C@@H](CCO)[NH2+]CCS(C)(=O)=O ZINC000217821206 592149263 /nfs/dbraw/zinc/14/92/63/592149263.db2.gz XRJOYZMYUSNOPB-QMMMGPOBSA-N 1 0 209.311 -0.218 20 70 BBIDRO CC[C@H](CCO)[NH2+]CCS(C)(=O)=O ZINC000217821277 592149533 /nfs/dbraw/zinc/14/95/33/592149533.db2.gz XRJOYZMYUSNOPB-MRVPVSSYSA-N 1 0 209.311 -0.218 20 70 BBIDRO CCC[C@@H](O)C[NH2+]CCS(C)(=O)=O ZINC000217882575 592149282 /nfs/dbraw/zinc/14/92/82/592149282.db2.gz VBWNSEPUTDTWBU-MRVPVSSYSA-N 1 0 209.311 -0.218 20 70 BBIDRO CCC[C@H](O)C[NH2+]CCS(C)(=O)=O ZINC000217882667 592149137 /nfs/dbraw/zinc/14/91/37/592149137.db2.gz VBWNSEPUTDTWBU-QMMMGPOBSA-N 1 0 209.311 -0.218 20 70 BBIDRO CC(C)S(=O)(=O)CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000217929038 345744293 /nfs/dbraw/zinc/74/42/93/345744293.db2.gz ZTRMZDSXZKYOMU-SECBINFHSA-N 1 0 248.348 -0.370 20 70 BBIDRO CC(C)S(=O)(=O)CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000217929118 345744315 /nfs/dbraw/zinc/74/43/15/345744315.db2.gz ZTRMZDSXZKYOMU-VIFPVBQESA-N 1 0 248.348 -0.370 20 70 BBIDRO CC(C)S(=O)(=O)CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000217929232 134251241 /nfs/dbraw/zinc/25/12/41/134251241.db2.gz FBZDIYFSDVRGQE-SECBINFHSA-N 1 0 248.348 -0.322 20 70 BBIDRO CC(C)S(=O)(=O)CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000217929298 134251243 /nfs/dbraw/zinc/25/12/43/134251243.db2.gz FBZDIYFSDVRGQE-VIFPVBQESA-N 1 0 248.348 -0.322 20 70 BBIDRO CC(C)S(=O)(=O)CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000217929893 535087608 /nfs/dbraw/zinc/08/76/08/535087608.db2.gz KXQQDAUCHQEIBO-SECBINFHSA-N 1 0 248.348 -0.241 20 70 BBIDRO CC(C)S(=O)(=O)CC(=O)N1CCC[C@H]1C[NH3+] ZINC000217929963 535086940 /nfs/dbraw/zinc/08/69/40/535086940.db2.gz KXQQDAUCHQEIBO-VIFPVBQESA-N 1 0 248.348 -0.241 20 70 BBIDRO C[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)C(C)C)C1 ZINC000217930062 345744461 /nfs/dbraw/zinc/74/44/61/345744461.db2.gz ZMEJDNUUILNVJP-VIFPVBQESA-N 1 0 248.348 -0.370 20 70 BBIDRO C[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)C(C)C)C1 ZINC000217930151 345744582 /nfs/dbraw/zinc/74/45/82/345744582.db2.gz ZMEJDNUUILNVJP-SECBINFHSA-N 1 0 248.348 -0.370 20 70 BBIDRO CC(C)S(=O)(=O)CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000217930256 345744270 /nfs/dbraw/zinc/74/42/70/345744270.db2.gz NLFNVYQNRMPWAJ-VIFPVBQESA-N 1 0 248.348 -0.241 20 70 BBIDRO CC(C)S(=O)(=O)CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000217930336 345744179 /nfs/dbraw/zinc/74/41/79/345744179.db2.gz NLFNVYQNRMPWAJ-SECBINFHSA-N 1 0 248.348 -0.241 20 70 BBIDRO CC(C)S(=O)(=O)CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000217930532 357265961 /nfs/dbraw/zinc/26/59/61/357265961.db2.gz LCUZOMSWXYHHLM-VIFPVBQESA-N 1 0 248.348 -0.322 20 70 BBIDRO CC(C)S(=O)(=O)CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000217930608 345744393 /nfs/dbraw/zinc/74/43/93/345744393.db2.gz LCUZOMSWXYHHLM-SECBINFHSA-N 1 0 248.348 -0.322 20 70 BBIDRO CCC[C@@H](O)CNC(=O)[C@@H]([NH3+])CCOC ZINC000217956655 592150714 /nfs/dbraw/zinc/15/07/14/592150714.db2.gz WIQQHRNTRIEIDP-BDAKNGLRSA-N 1 0 218.297 -0.373 20 70 BBIDRO CCC[C@H](O)CNC(=O)[C@@H]([NH3+])CCOC ZINC000217956722 592149902 /nfs/dbraw/zinc/14/99/02/592149902.db2.gz WIQQHRNTRIEIDP-IUCAKERBSA-N 1 0 218.297 -0.373 20 70 BBIDRO CCC[C@@H](O)CNC(=O)[C@H]([NH3+])CCOC ZINC000217956812 592150837 /nfs/dbraw/zinc/15/08/37/592150837.db2.gz WIQQHRNTRIEIDP-RKDXNWHRSA-N 1 0 218.297 -0.373 20 70 BBIDRO CCC[C@H](O)CNC(=O)[C@H]([NH3+])CCOC ZINC000217956889 592150817 /nfs/dbraw/zinc/15/08/17/592150817.db2.gz WIQQHRNTRIEIDP-DTWKUNHWSA-N 1 0 218.297 -0.373 20 70 BBIDRO CCC[C@H](O)CNC(=O)[C@@H]([NH3+])COC ZINC000217976187 535712244 /nfs/dbraw/zinc/71/22/44/535712244.db2.gz XRUNSEQMXNFWQA-YUMQZZPRSA-N 1 0 204.270 -0.763 20 70 BBIDRO CCC[C@@H](O)CNC(=O)[C@H]([NH3+])COC ZINC000217976280 535386900 /nfs/dbraw/zinc/38/69/00/535386900.db2.gz XRUNSEQMXNFWQA-HTQZYQBOSA-N 1 0 204.270 -0.763 20 70 BBIDRO CCC[C@H](O)CNC(=O)[C@H]([NH3+])COC ZINC000217976366 535714221 /nfs/dbraw/zinc/71/42/21/535714221.db2.gz XRUNSEQMXNFWQA-JGVFFNPUSA-N 1 0 204.270 -0.763 20 70 BBIDRO COC(=O)[C@@H]1CCCN1C(=O)C[NH+](C)C ZINC000218006349 134251569 /nfs/dbraw/zinc/25/15/69/134251569.db2.gz MCIJPXYKVJNTKR-QMMMGPOBSA-N 1 0 214.265 -0.288 20 70 BBIDRO COC(=O)[C@H]1CCCN1C(=O)C[NH+](C)C ZINC000218006440 536782430 /nfs/dbraw/zinc/78/24/30/536782430.db2.gz MCIJPXYKVJNTKR-MRVPVSSYSA-N 1 0 214.265 -0.288 20 70 BBIDRO CCN(CC(=O)OC)C(=O)C[NH+](C)C ZINC000218012845 134251306 /nfs/dbraw/zinc/25/13/06/134251306.db2.gz ZPHPSYQZKHNNBH-UHFFFAOYSA-N 1 0 202.254 -0.431 20 70 BBIDRO COCCOCC(=O)N1CCC[N@H+](C)CC1 ZINC000218029110 134251233 /nfs/dbraw/zinc/25/12/33/134251233.db2.gz MGKFGFVLKGGEGA-UHFFFAOYSA-N 1 0 230.308 -0.187 20 70 BBIDRO CCOC(=O)[C@@H](C)NC(=O)C[NH+](C)C ZINC000218031842 592151525 /nfs/dbraw/zinc/15/15/25/592151525.db2.gz OEMLCLYUCXDPPQ-SSDOTTSWSA-N 1 0 202.254 -0.384 20 70 BBIDRO CCOC(=O)[C@H](C)NC(=O)C[NH+](C)C ZINC000218031924 592151671 /nfs/dbraw/zinc/15/16/71/592151671.db2.gz OEMLCLYUCXDPPQ-ZETCQYMHSA-N 1 0 202.254 -0.384 20 70 BBIDRO CCOC(=O)CCNC(=O)C[NH+](C)C ZINC000218033244 535651761 /nfs/dbraw/zinc/65/17/61/535651761.db2.gz PPUDNUNTDYHTNF-UHFFFAOYSA-N 1 0 202.254 -0.383 20 70 BBIDRO COC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC000218051999 134251256 /nfs/dbraw/zinc/25/12/56/134251256.db2.gz RKJVTZFYEWWEHS-JGVFFNPUSA-N 1 0 214.265 -0.255 20 70 BBIDRO CS(=O)(=O)NCCC[NH2+]Cc1cc[nH]n1 ZINC000218086638 134251768 /nfs/dbraw/zinc/25/17/68/134251768.db2.gz LJCALYWRIWNRLH-UHFFFAOYSA-N 1 0 232.309 -0.561 20 70 BBIDRO CCOC[C@@H](O)C[NH2+]CC(=O)N(C)CC ZINC000218115138 357920795 /nfs/dbraw/zinc/92/07/95/357920795.db2.gz WWFNHBUBCCSPGM-VIFPVBQESA-N 1 0 218.297 -0.548 20 70 BBIDRO CCOC[C@H](O)C[NH2+]CC(=O)N(C)CC ZINC000218115208 357920974 /nfs/dbraw/zinc/92/09/74/357920974.db2.gz WWFNHBUBCCSPGM-SECBINFHSA-N 1 0 218.297 -0.548 20 70 BBIDRO CCOC(=O)CCN(C)C(=O)C[NH+](C)C ZINC000218198275 535639315 /nfs/dbraw/zinc/63/93/15/535639315.db2.gz LEINUALIXWSVOO-UHFFFAOYSA-N 1 0 216.281 -0.040 20 70 BBIDRO CS(=O)(=O)NCCC[NH2+]Cc1ncc[nH]1 ZINC000218214157 134252669 /nfs/dbraw/zinc/25/26/69/134252669.db2.gz ZJLDFDHUMYTLGJ-UHFFFAOYSA-N 1 0 232.309 -0.561 20 70 BBIDRO CCCOCC(=O)NCC[NH2+]CCOC ZINC000218221644 535226186 /nfs/dbraw/zinc/22/61/86/535226186.db2.gz BSXJEGRUDCKCDX-UHFFFAOYSA-N 1 0 218.297 -0.235 20 70 BBIDRO CC[C@H]1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CCO1 ZINC000218222495 134252643 /nfs/dbraw/zinc/25/26/43/134252643.db2.gz MZVDORIUDBTZFU-KXUCPTDWSA-N 1 0 228.292 -0.653 20 70 BBIDRO CN(C[C@H]1CCCO1)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000218421386 256848732 /nfs/dbraw/zinc/84/87/32/256848732.db2.gz RPDCQMHXGLIDKI-OPRDCNLKSA-N 1 0 228.292 -0.653 20 70 BBIDRO CN(C[C@H]1CCCCO1)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000218422221 134254375 /nfs/dbraw/zinc/25/43/75/134254375.db2.gz JMLJABWNSRWJEG-GMTAPVOTSA-N 1 0 242.319 -0.263 20 70 BBIDRO CCN(C[C@H]1CCCO1)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000218463923 136270244 /nfs/dbraw/zinc/27/02/44/136270244.db2.gz PDCKBNNCHODGQS-GMTAPVOTSA-N 1 0 242.319 -0.263 20 70 BBIDRO