@MOLECULE ZINC00226013 27 29 0 0 0 SMALL USER_CHARGES 2-(3-nitrophenyl)-1H-benzoimidazole @ATOM 1 C1 -0.7466 9.8075 0.0645 C.ar 1 <0> -0.0913 2 C2 0.6410 9.7854 0.0503 C.ar 1 <0> -0.1254 3 C3 1.3190 8.5998 0.0369 C.ar 1 <0> -0.0583 4 C4 0.6122 7.3927 0.0369 C.ar 1 <0> 0.0467 5 C5 -0.7938 7.4152 0.0508 C.ar 1 <0> 0.0593 6 C6 -1.4646 8.6304 0.0648 C.ar 1 <0> -0.1151 7 N1 -1.2005 6.0955 0.0413 N.pl3 1 <0> -0.5951 8 H1 -2.1445 5.7655 0.0414 H 1 <0> 0.4298 9 C7 -0.0702 5.3236 0.0318 C.2 1 <0> 0.3117 10 N2 0.9914 6.0917 0.0258 N.2 1 <0> -0.4663 11 C8 -0.0501 3.8446 0.0232 C.ar 1 <0> -0.0199 12 C9 -1.2473 3.1275 0.0308 C.ar 1 <0> -0.0559 13 C10 -1.2218 1.7483 0.0174 C.ar 1 <0> -0.1096 14 C11 -0.0126 1.0758 0.0080 C.ar 1 <0> -0.0424 15 C12 1.1776 1.7807 0.0004 C.ar 1 <0> -0.0403 16 C13 1.1657 3.1606 0.0079 C.ar 1 <0> -0.0118 17 N3 2.4666 1.0534 -0.0153 N.pl3 1 <0> 0.0249 18 O1 2.4786 -0.1645 -0.0216 O.2 1 <0> -0.1519 19 O2 3.5154 1.6728 -0.0220 O.3 1 <0> -0.1473 20 H2 -1.2677 10.7535 0.0749 H 1 <0> 0.1344 21 H3 1.1903 10.7153 0.0502 H 1 <0> 0.1341 22 H4 2.3989 8.5944 0.0259 H 1 <0> 0.1338 23 H5 -2.5443 8.6537 0.0755 H 1 <0> 0.1264 24 H6 -2.1918 3.6512 0.0430 H 1 <0> 0.1414 25 H7 -2.1477 1.1922 0.0187 H 1 <0> 0.1573 26 H8 0.0021 -0.0041 0.0020 H 1 <0> 0.1609 27 H9 2.0956 3.7098 0.0016 H 1 <0> 0.1699 @BOND 1 1 6 ar 2 1 2 ar 3 1 20 1 4 2 3 ar 5 2 21 1 6 3 4 ar 7 3 22 1 8 4 10 1 9 4 5 ar 10 5 6 ar 11 5 7 1 12 6 23 1 13 7 8 1 14 7 9 1 15 9 10 2 16 9 11 1 17 11 16 ar 18 11 12 ar 19 12 13 ar 20 12 24 1 21 13 14 ar 22 13 25 1 23 14 15 ar 24 14 26 1 25 15 16 ar 26 15 17 1 27 16 27 1 28 17 18 2 29 17 19 1 @MOLECULE ZINC00031318 34 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C1 -0.0167 1.3781 0.0096 C.ar 1 <0> -0.1189 2 C2 1.1709 2.0855 0.0021 C.ar 1 <0> -0.1176 3 C3 2.3773 1.4107 -0.0130 C.ar 1 <0> -0.1134 4 C4 2.3960 0.0285 -0.0201 C.ar 1 <0> -0.0871 5 C5 1.2084 -0.6789 -0.0117 C.ar 1 <0> -0.1134 6 C6 0.0021 -0.0041 0.0020 C.ar 1 <0> -0.1176 7 C7 3.7112 -0.7071 -0.0376 C.3 1 <0> -0.0917 8 C8 4.1714 -0.9633 1.3989 C.3 1 <0> 0.1228 9 N1 5.4498 -1.6784 1.3820 N.am 1 <0> -0.7224 10 C9 6.0502 -2.0132 2.5413 C.2 1 <0> 0.5549 11 O1 5.5308 -1.7218 3.6009 O.2 1 <0> -0.5179 12 C10 7.3404 -2.7349 2.5241 C.ar 1 <0> -0.0840 13 C11 7.9423 -3.0660 1.3091 C.ar 1 <0> -0.0876 14 C12 9.1465 -3.7390 1.3001 C.ar 1 <0> -0.0599 15 C13 9.7573 -4.0863 2.4920 C.ar 1 <0> -0.0276 16 C14 9.1657 -3.7615 3.6999 C.ar 1 <0> -0.0588 17 C15 7.9647 -3.0831 3.7229 C.ar 1 <0> -0.0588 18 N2 11.0490 -4.8088 2.4749 N.pl3 1 <0> 0.0278 19 O2 11.5680 -5.0942 1.4210 O.2 1 <0> -0.1498 20 O3 11.5850 -5.1135 3.5148 O.3 1 <0> -0.1485 21 H1 -0.9591 1.9053 0.0259 H 1 <0> 0.1231 22 H2 1.1563 3.1654 0.0076 H 1 <0> 0.1237 23 H3 3.3051 1.9634 -0.0196 H 1 <0> 0.1224 24 H4 1.2231 -1.7588 -0.0176 H 1 <0> 0.1224 25 H5 -0.9258 -0.5567 0.0082 H 1 <0> 0.1237 26 H6 3.5884 -1.6586 -0.5549 H 1 <0> 0.0815 27 H7 4.4573 -0.1052 -0.5563 H 1 <0> 0.0815 28 H8 4.2941 -0.0118 1.9163 H 1 <0> 0.0757 29 H9 3.4252 -1.5652 1.9176 H 1 <0> 0.0757 30 H10 5.8643 -1.9110 0.5363 H 1 <0> 0.4021 31 H11 7.4661 -2.7961 0.3780 H 1 <0> 0.1504 32 H12 9.6132 -3.9958 0.3607 H 1 <0> 0.1619 33 H13 9.6475 -4.0358 4.6268 H 1 <0> 0.1632 34 H14 7.5064 -2.8259 4.6664 H 1 <0> 0.1623 @BOND 1 1 6 ar 2 1 2 ar 3 1 21 1 4 2 3 ar 5 2 22 1 6 3 4 ar 7 3 23 1 8 4 5 ar 9 4 7 1 10 5 6 ar 11 5 24 1 12 6 25 1 13 7 8 1 14 7 26 1 15 7 27 1 16 8 9 1 17 8 28 1 18 8 29 1 19 9 10 am 20 9 30 1 21 10 11 2 22 10 12 1 23 12 17 ar 24 12 13 ar 25 13 14 ar 26 13 31 1 27 14 15 ar 28 14 32 1 29 15 16 ar 30 15 18 1 31 16 17 ar 32 16 33 1 33 17 34 1 34 18 19 2 35 18 20 1 @MOLECULE ZINC05424098 35 37 0 0 0 SMALL USER_CHARGES @ATOM 1 C1 1.0984 2.3833 0.9157 C.3 1 <0> -0.1740 2 C2 0.4608 1.0507 0.5177 C.3 1 <0> 0.0970 3 C3 0.8650 0.6999 -0.9157 C.3 1 <0> -0.1512 4 O1 0.9102 0.0240 1.4042 O.3 1 <0> -0.3558 5 C4 0.1770 -0.1904 2.5131 C.2 1 <0> 0.6503 6 O2 -0.8173 0.4761 2.7222 O.2 1 <0> -0.5476 7 N1 0.5459 -1.1442 3.3909 N.am 1 <0> -0.6489 8 C5 -0.1598 -1.3028 4.5904 C.ar 1 <0> 0.1835 9 C6 -1.5373 -1.0952 4.6172 C.ar 1 <0> -0.1229 10 C7 -2.2403 -1.2456 5.7779 C.ar 1 <0> -0.0404 11 C8 -1.5777 -1.6116 6.9541 C.ar 1 <0> 0.0426 12 C9 -0.1878 -1.8222 6.9300 C.ar 1 <0> 0.0740 13 C10 0.5141 -1.6709 5.7433 C.ar 1 <0> -0.1382 14 N2 0.1733 -2.1666 8.2193 N.pl3 1 <0> -0.5815 15 C11 -0.9693 -2.1583 8.9758 C.2 1 <0> 0.3548 16 N3 -1.9946 -1.8314 8.2264 N.2 1 <0> -0.4696 17 C12 -1.0362 -2.4711 10.4175 C.2 1 <0> 0.1054 18 C13 -2.2216 -2.4471 11.1092 C.2 1 <0> -0.1622 19 S1 -1.6588 -2.8986 12.7423 S.3 1 <0> 0.1448 20 C14 -0.0222 -3.0670 12.3900 C.2 1 <0> 0.0356 21 N4 0.0460 -2.7964 11.1141 N.2 1 <0> -0.5136 22 H1 2.1834 2.2997 0.8544 H 1 <0> 0.0657 23 H2 0.7555 3.1665 0.2395 H 1 <0> 0.0774 24 H3 0.8104 2.6332 1.9368 H 1 <0> 0.0632 25 H4 -0.6243 1.1343 0.5790 H 1 <0> 0.0894 26 H5 1.9501 0.6162 -0.9770 H 1 <0> 0.0682 27 H6 0.4108 -0.2495 -1.1992 H 1 <0> 0.0658 28 H7 0.5222 1.4830 -1.5919 H 1 <0> 0.0825 29 H8 1.3002 -1.7208 3.1921 H 1 <0> 0.4187 30 H9 -2.0535 -0.8125 3.7117 H 1 <0> 0.1502 31 H10 -3.3077 -1.0816 5.7879 H 1 <0> 0.1389 32 H11 1.5812 -1.8355 5.7190 H 1 <0> 0.1314 33 H12 -3.2183 -2.2185 10.7619 H 1 <0> 0.2112 34 H13 0.7808 -3.3385 13.0592 H 1 <0> 0.2254 35 H14 1.0680 -2.3755 8.5302 H 1 <0> 0.4298 @BOND 1 1 2 1 2 1 22 1 3 1 23 1 4 1 24 1 5 2 3 1 6 2 4 1 7 2 25 1 8 3 26 1 9 3 27 1 10 3 28 1 11 4 5 1 12 5 6 2 13 5 7 am 14 7 8 1 15 7 29 1 16 8 13 ar 17 8 9 ar 18 9 10 ar 19 9 30 1 20 10 11 ar 21 10 31 1 22 11 16 1 23 11 12 ar 24 12 13 ar 25 12 14 1 26 13 32 1 27 14 15 1 28 14 35 1 29 15 16 2 30 15 17 1 31 17 21 1 32 17 18 2 33 18 19 1 34 18 33 1 35 19 20 1 36 20 21 2 37 20 34 1 @MOLECULE ZINC00055213 26 28 0 0 0 SMALL USER_CHARGES 2-phenylquinoxaline @ATOM 1 C1 4.8911 -0.3191 -0.0449 C.ar 1 <0> -0.1015 2 C2 4.8880 1.0643 -0.0384 C.ar 1 <0> -0.1249 3 C3 3.6930 1.7542 -0.0238 C.ar 1 <0> -0.0747 4 C4 2.4873 1.0544 -0.0160 C.ar 1 <0> -0.0570 5 C5 2.4967 -0.3397 -0.0178 C.ar 1 <0> -0.0952 6 C6 3.6978 -1.0188 -0.0378 C.ar 1 <0> -0.1219 7 C7 1.2001 1.7899 0.0002 C.ar 1 <0> 0.1485 8 C8 -0.0126 1.0758 0.0080 C.ar 1 <0> 0.0878 9 N1 -1.1603 1.7102 0.0169 N.ar 1 <0> -0.4194 10 C9 -1.1818 3.0488 0.0297 C.ar 1 <0> 0.0704 11 C10 -2.3982 3.7522 0.0446 C.ar 1 <0> -0.0811 12 C11 -2.3913 5.1133 0.0509 C.ar 1 <0> -0.0992 13 C12 -1.1927 5.8247 0.0429 C.ar 1 <0> -0.0949 14 C13 0.0046 5.1783 0.0284 C.ar 1 <0> -0.0856 15 C14 0.0379 3.7722 0.0215 C.ar 1 <0> 0.0886 16 N2 1.1995 3.1115 0.0069 N.ar 1 <0> -0.4236 17 H1 5.8288 -0.8548 -0.0560 H 1 <0> 0.1268 18 H2 5.8227 1.6053 -0.0444 H 1 <0> 0.1283 19 H3 3.6918 2.8342 -0.0187 H 1 <0> 0.1348 20 H4 1.5657 -0.8870 -0.0073 H 1 <0> 0.1295 21 H5 3.7063 -2.0988 -0.0436 H 1 <0> 0.1299 22 H6 0.0021 -0.0041 0.0020 H 1 <0> 0.1765 23 H7 -3.3350 3.2148 0.0514 H 1 <0> 0.1411 24 H8 -3.3285 5.6500 0.0628 H 1 <0> 0.1379 25 H9 -1.2146 6.9044 0.0478 H 1 <0> 0.1380 26 H10 0.9255 5.7425 0.0220 H 1 <0> 0.1409 @BOND 1 1 6 ar 2 1 2 ar 3 1 17 1 4 2 3 ar 5 2 18 1 6 3 4 ar 7 3 19 1 8 4 5 ar 9 4 7 1 10 5 6 ar 11 5 20 1 12 6 21 1 13 7 16 ar 14 7 8 ar 15 8 9 ar 16 8 22 1 17 9 10 ar 18 10 15 ar 19 10 11 ar 20 11 12 ar 21 11 23 1 22 12 13 ar 23 12 24 1 24 13 14 ar 25 13 25 1 26 14 15 ar 27 14 26 1 28 15 16 ar @MOLECULE ZINC00097949 28 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C1 -0.0166 1.3742 0.0096 C.ar 1 <0> -0.0906 2 C2 1.1702 2.0947 0.0021 C.ar 1 <0> -0.1241 3 C3 2.3751 1.4532 -0.0128 C.ar 1 <0> -0.0589 4 C4 2.4205 0.0539 -0.0208 C.ar 1 <0> 0.0502 5 C5 1.2172 -0.6759 -0.0132 C.ar 1 <0> 0.0602 6 C6 0.0021 -0.0041 0.0020 C.ar 1 <0> -0.1109 7 N1 1.5749 -2.0081 -0.0246 N.pl3 1 <0> -0.5668 8 H1 0.9710 -2.7672 -0.0236 H 1 <0> 0.4347 9 C7 2.9444 -2.0567 -0.0384 C.2 1 <0> 0.3429 10 N2 3.4300 -0.8390 -0.0360 N.2 1 <0> -0.4681 11 C8 3.7506 -3.2929 -0.0540 C.2 1 <0> 0.3430 12 N3 5.1201 -3.3416 -0.0623 N.pl3 1 <0> -0.5668 13 H2 5.7240 -2.5825 -0.0592 H 1 <0> 0.4347 14 C9 5.4777 -4.6737 -0.0754 C.ar 1 <0> 0.0602 15 C10 6.6929 -5.3455 -0.0879 C.ar 1 <0> -0.1110 16 C11 6.7116 -6.7238 -0.0994 C.ar 1 <0> -0.0906 17 C12 5.5248 -7.4443 -0.0986 C.ar 1 <0> -0.1241 18 C13 4.3198 -6.8027 -0.0868 C.ar 1 <0> -0.0589 19 C14 4.2745 -5.4034 -0.0745 C.ar 1 <0> 0.0501 20 N4 3.2650 -4.5105 -0.0564 N.2 1 <0> -0.4681 21 H3 -0.9613 1.8974 0.0260 H 1 <0> 0.1353 22 H4 1.1398 3.1743 0.0079 H 1 <0> 0.1341 23 H5 3.2919 2.0241 -0.0189 H 1 <0> 0.1333 24 H6 -0.9244 -0.5590 0.0083 H 1 <0> 0.1288 25 H7 7.6195 -4.7906 -0.0890 H 1 <0> 0.1288 26 H8 7.6563 -7.2471 -0.1096 H 1 <0> 0.1352 27 H9 5.5551 -8.5238 -0.1077 H 1 <0> 0.1341 28 H10 3.4030 -7.3736 -0.0863 H 1 <0> 0.1333 @BOND 1 1 6 ar 2 1 2 ar 3 1 21 1 4 2 3 ar 5 2 22 1 6 3 4 ar 7 3 23 1 8 4 10 1 9 4 5 ar 10 5 6 ar 11 5 7 1 12 6 24 1 13 7 8 1 14 7 9 1 15 9 10 2 16 9 11 1 17 11 20 2 18 11 12 1 19 12 13 1 20 12 14 1 21 14 19 ar 22 14 15 ar 23 15 16 ar 24 15 25 1 25 16 17 ar 26 16 26 1 27 17 18 ar 28 17 27 1 29 18 19 ar 30 18 28 1 31 19 20 1